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 1bqn_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLLVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPQKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNQQVDK DATA SEQUENCE LVSAGIRK 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 0.000 177.368 177.300 0.113 0.000 1.155 1 P CA 0.000 63.153 63.100 0.089 0.000 0.800 1 P CB 0.000 31.752 31.700 0.086 0.000 0.726 2 I N -1.631 119.002 120.570 0.104 0.000 2.575 2 I HA 0.512 4.683 4.170 0.000 0.000 0.285 2 I C 0.533 176.718 176.117 0.113 0.000 1.085 2 I CA -0.259 61.107 61.300 0.111 0.000 1.403 2 I CB 1.407 39.461 38.000 0.090 0.000 1.409 2 I HN 0.155 nan 8.210 nan 0.000 0.557 3 S N 5.906 121.684 115.700 0.130 0.000 2.624 3 S HA 0.454 4.924 4.470 0.000 0.000 0.263 3 S C -1.969 172.727 174.600 0.160 0.000 1.287 3 S CA -1.031 57.270 58.200 0.168 0.000 0.990 3 S CB 0.605 63.904 63.200 0.165 0.000 0.950 3 S HN 0.780 nan 8.310 nan 0.000 0.561 4 P HA 0.369 nan 4.420 nan 0.000 0.249 4 P C -1.053 176.437 177.300 0.318 0.000 1.846 4 P CA -0.196 63.010 63.100 0.178 0.000 1.138 4 P CB -0.141 31.601 31.700 0.071 0.000 1.840 5 I N -0.861 119.878 120.570 0.281 0.000 2.693 5 I HA 0.338 4.508 4.170 0.000 0.000 0.303 5 I C -0.086 176.092 176.117 0.101 0.000 1.025 5 I CA -1.438 60.013 61.300 0.251 0.000 1.086 5 I CB 1.985 40.014 38.000 0.048 0.000 1.268 5 I HN -0.104 nan 8.210 nan 0.000 0.440 6 E N 4.161 124.406 120.200 0.076 0.000 2.603 6 E HA 0.011 4.361 4.350 0.000 0.000 0.242 6 E C -0.030 176.574 176.600 0.007 0.000 1.083 6 E CA 0.175 56.599 56.400 0.039 0.000 0.950 6 E CB -0.291 29.427 29.700 0.029 0.000 0.952 6 E HN 0.602 nan 8.360 nan 0.000 0.498 7 T N 2.078 116.641 114.554 0.015 0.000 2.766 7 T HA 0.151 4.501 4.350 0.000 0.000 0.295 7 T C -0.087 174.621 174.700 0.013 0.000 1.024 7 T CA -0.569 61.532 62.100 0.001 0.000 1.018 7 T CB 0.778 69.647 68.868 0.003 0.000 1.002 7 T HN 0.190 nan 8.240 nan 0.000 0.532 8 V N 5.253 125.177 119.914 0.017 0.000 2.513 8 V HA 0.463 4.583 4.120 0.000 0.000 0.299 8 V C -1.939 174.219 176.094 0.106 0.000 1.035 8 V CA -1.844 60.490 62.300 0.056 0.000 0.889 8 V CB 1.912 33.763 31.823 0.047 0.000 0.988 8 V HN 0.826 nan 8.190 nan 0.000 0.440 9 P HA 0.229 nan 4.420 nan 0.000 0.274 9 P C -0.979 176.478 177.300 0.263 0.000 1.291 9 P CA 0.146 63.353 63.100 0.179 0.000 0.815 9 P CB 1.041 32.819 31.700 0.129 0.000 0.897 10 V N 5.034 125.169 119.914 0.367 0.000 2.735 10 V HA 0.452 4.572 4.120 0.000 0.000 0.310 10 V C 0.301 176.773 176.094 0.631 0.000 1.061 10 V CA -0.589 62.008 62.300 0.496 0.000 0.913 10 V CB 2.545 34.705 31.823 0.562 0.000 1.005 10 V HN 0.437 nan 8.190 nan 0.000 0.428 11 K N 2.701 123.348 120.400 0.412 0.000 2.395 11 K HA 0.763 5.083 4.320 0.000 0.000 0.245 11 K C -1.371 175.323 176.600 0.157 0.000 1.017 11 K CA -0.829 55.575 56.287 0.196 0.000 0.852 11 K CB 2.329 34.880 32.500 0.085 0.000 1.311 11 K HN 0.412 nan 8.250 nan 0.000 0.452 12 L N 1.288 122.465 121.223 -0.075 0.000 2.375 12 L HA 0.395 4.736 4.340 0.000 0.000 0.268 12 L C -0.018 176.795 176.870 -0.095 0.000 1.058 12 L CA -0.861 53.908 54.840 -0.119 0.000 0.803 12 L CB 0.833 42.695 42.059 -0.328 0.000 1.212 12 L HN 0.402 nan 8.230 nan 0.000 0.451 13 K N 2.838 123.180 120.400 -0.097 0.000 2.504 13 K HA -0.004 4.316 4.320 0.000 0.000 0.278 13 K C -2.137 174.424 176.600 -0.064 0.000 1.025 13 K CA -0.931 55.308 56.287 -0.081 0.000 1.093 13 K CB -0.032 32.421 32.500 -0.078 0.000 0.873 13 K HN 0.292 nan 8.250 nan 0.000 0.483 14 P HA -0.222 nan 4.420 nan 0.000 0.261 14 P C 0.731 178.014 177.300 -0.029 0.000 1.158 14 P CA 1.288 64.369 63.100 -0.032 0.000 0.758 14 P CB 0.661 32.346 31.700 -0.025 0.000 0.763 15 G N 2.496 111.283 108.800 -0.021 0.000 2.579 15 G HA2 -0.299 3.661 3.960 0.000 0.000 0.222 15 G HA3 -0.299 3.661 3.960 0.000 0.000 0.222 15 G C 0.252 175.142 174.900 -0.017 0.000 1.201 15 G CA 0.261 45.352 45.100 -0.014 0.000 0.710 15 G HN 0.541 nan 8.290 nan 0.000 0.516 16 M N 1.374 120.953 119.600 -0.035 0.000 2.226 16 M HA 0.520 5.000 4.480 0.000 0.000 0.324 16 M C 0.226 176.490 176.300 -0.060 0.000 1.112 16 M CA 0.141 55.416 55.300 -0.043 0.000 1.176 16 M CB 0.770 33.334 32.600 -0.061 0.000 1.430 16 M HN 0.391 nan 8.290 nan 0.000 0.462 17 D N 0.419 120.798 120.400 -0.036 0.000 2.414 17 D HA 0.546 5.186 4.640 0.000 0.000 0.241 17 D C -0.451 175.798 176.300 -0.086 0.000 1.008 17 D CA -0.272 53.722 54.000 -0.008 0.000 1.001 17 D CB 1.366 42.248 40.800 0.137 0.000 1.277 17 D HN 0.629 nan 8.370 nan 0.000 0.538 18 G N 0.560 109.287 108.800 -0.122 0.000 2.569 18 G HA2 0.389 4.349 3.960 0.000 0.000 0.249 18 G HA3 0.389 4.349 3.960 0.000 0.000 0.249 18 G C -2.250 172.823 174.900 0.288 0.000 1.216 18 G CA -0.849 44.140 45.100 -0.186 0.000 0.845 18 G HN 0.399 nan 8.290 nan 0.000 0.568 19 P HA 0.239 nan 4.420 nan 0.000 0.274 19 P C -0.983 176.492 177.300 0.292 0.000 1.231 19 P CA -0.114 63.123 63.100 0.228 0.000 0.790 19 P CB 1.085 32.894 31.700 0.181 0.000 0.951 20 K N 1.364 121.869 120.400 0.174 0.000 2.578 20 K HA 0.597 4.917 4.320 0.000 0.000 0.250 20 K C -0.884 175.770 176.600 0.090 0.000 0.955 20 K CA -0.888 55.474 56.287 0.125 0.000 0.825 20 K CB 1.527 34.045 32.500 0.030 0.000 1.151 20 K HN 0.156 nan 8.250 nan 0.000 0.432 21 V N 1.324 121.295 119.914 0.096 0.000 3.105 21 V HA 0.585 4.705 4.120 0.000 0.000 0.311 21 V C -0.872 175.261 176.094 0.064 0.000 1.282 21 V CA -1.124 61.218 62.300 0.070 0.000 1.065 21 V CB 2.124 33.988 31.823 0.067 0.000 1.136 21 V HN 0.736 nan 8.190 nan 0.000 0.469 22 K N 0.961 121.393 120.400 0.053 0.000 2.606 22 K HA 0.315 4.635 4.320 0.000 0.000 0.259 22 K C -1.269 175.359 176.600 0.046 0.000 1.001 22 K CA -0.409 55.909 56.287 0.052 0.000 0.881 22 K CB 2.286 34.811 32.500 0.042 0.000 1.288 22 K HN 0.742 nan 8.250 nan 0.000 0.452 23 Q N 0.989 120.821 119.800 0.053 0.000 2.368 23 Q HA 0.232 4.572 4.340 0.000 0.000 0.237 23 Q C -0.640 175.390 176.000 0.050 0.000 0.987 23 Q CA -0.241 55.590 55.803 0.047 0.000 0.896 23 Q CB 0.488 29.259 28.738 0.055 0.000 1.241 23 Q HN 0.654 nan 8.270 nan 0.000 0.485 24 W N 3.599 124.931 121.300 0.053 0.000 2.489 24 W HA 0.234 4.895 4.660 0.000 0.000 0.327 24 W C -1.999 174.555 176.519 0.058 0.000 1.436 24 W CA -1.814 55.565 57.345 0.056 0.000 1.315 24 W CB -1.149 28.352 29.460 0.069 0.000 1.373 24 W HN 0.560 nan 8.180 nan 0.000 0.557 25 P HA 0.418 nan 4.420 nan 0.000 0.263 25 P C 0.000 177.328 177.300 0.047 0.000 1.195 25 P CA 0.594 63.722 63.100 0.046 0.000 0.762 25 P CB 0.260 31.982 31.700 0.038 0.000 0.799 26 L N 1.523 122.774 121.223 0.048 0.000 2.301 26 L HA 0.942 5.282 4.340 0.000 0.000 0.264 26 L C 0.931 177.823 176.870 0.037 0.000 1.016 26 L CA -0.417 54.451 54.840 0.046 0.000 0.821 26 L CB 0.292 42.384 42.059 0.055 0.000 1.346 26 L HN 0.703 nan 8.230 nan 0.000 0.429 27 T N -1.258 113.317 114.554 0.034 0.000 2.891 27 T HA 0.502 4.852 4.350 0.000 0.000 0.294 27 T C 1.105 175.815 174.700 0.017 0.000 1.065 27 T CA 0.548 62.664 62.100 0.027 0.000 0.936 27 T CB -0.036 68.850 68.868 0.029 0.000 1.415 27 T HN 0.883 nan 8.240 nan 0.000 0.572 28 E N 0.655 120.863 120.200 0.013 0.000 2.033 28 E HA -0.177 4.173 4.350 0.000 0.000 0.199 28 E C 1.857 178.447 176.600 -0.017 0.000 1.011 28 E CA 2.024 58.424 56.400 -0.000 0.000 0.815 28 E CB -0.431 29.273 29.700 0.006 0.000 0.755 28 E HN 0.826 nan 8.360 nan 0.000 0.451 29 E N 1.103 121.304 120.200 0.002 0.000 2.150 29 E HA -0.108 4.242 4.350 0.000 0.000 0.193 29 E C 1.734 178.305 176.600 -0.048 0.000 0.985 29 E CA 0.955 57.352 56.400 -0.004 0.000 0.814 29 E CB -0.141 29.610 29.700 0.085 0.000 0.752 29 E HN -0.000 nan 8.360 nan 0.000 0.466 30 K N 0.569 120.970 120.400 0.002 0.000 2.116 30 K HA 0.101 4.422 4.320 0.000 0.000 0.203 30 K C 2.084 178.651 176.600 -0.055 0.000 1.052 30 K CA 0.852 57.144 56.287 0.008 0.000 0.952 30 K CB -0.118 32.416 32.500 0.056 0.000 0.729 30 K HN 0.299 nan 8.250 nan 0.000 0.446 31 I N 0.679 121.222 120.570 -0.045 0.000 2.353 31 I HA -0.202 3.968 4.170 0.000 0.000 0.248 31 I C 2.309 178.368 176.117 -0.096 0.000 1.119 31 I CA 0.781 62.054 61.300 -0.044 0.000 1.417 31 I CB -0.263 37.730 38.000 -0.013 0.000 1.078 31 I HN -0.026 nan 8.210 nan 0.000 0.421 32 K N 1.610 121.926 120.400 -0.140 0.000 2.032 32 K HA -0.118 4.202 4.320 0.000 0.000 0.209 32 K C 2.198 178.625 176.600 -0.289 0.000 1.048 32 K CA 1.704 57.879 56.287 -0.187 0.000 0.927 32 K CB -0.351 32.031 32.500 -0.196 0.000 0.712 32 K HN 0.338 nan 8.250 nan 0.000 0.441 33 A N 0.570 123.115 122.820 -0.458 0.000 2.125 33 A HA -0.074 4.246 4.320 0.000 0.000 0.219 33 A C 2.101 179.520 177.584 -0.275 0.000 1.156 33 A CA 1.049 52.728 52.037 -0.597 0.000 0.671 33 A CB -0.234 18.183 19.000 -0.972 0.000 0.794 33 A HN 0.205 nan 8.150 nan 0.000 0.459 34 L N -1.616 119.503 121.223 -0.174 0.000 2.362 34 L HA -0.002 4.338 4.340 0.000 0.000 0.204 34 L C 2.346 179.160 176.870 -0.095 0.000 1.060 34 L CA 0.309 55.087 54.840 -0.103 0.000 0.827 34 L CB -0.249 41.773 42.059 -0.061 0.000 1.027 34 L HN 0.188 nan 8.230 nan 0.000 0.474 35 V N -0.192 119.679 119.914 -0.072 0.000 2.219 35 V HA -0.304 3.816 4.120 0.000 0.000 0.248 35 V C 2.474 178.550 176.094 -0.029 0.000 1.053 35 V CA 1.868 64.154 62.300 -0.023 0.000 1.009 35 V CB -0.593 31.227 31.823 -0.004 0.000 0.636 35 V HN 0.415 nan 8.190 nan 0.000 0.445 36 E N -0.450 119.713 120.200 -0.061 0.000 2.136 36 E HA -0.277 4.074 4.350 0.000 0.000 0.202 36 E C 2.099 178.671 176.600 -0.046 0.000 1.019 36 E CA 1.902 58.266 56.400 -0.059 0.000 0.819 36 E CB -0.342 29.292 29.700 -0.109 0.000 0.739 36 E HN 0.519 nan 8.360 nan 0.000 0.458 37 I N 0.180 120.709 120.570 -0.068 0.000 2.163 37 I HA -0.267 3.903 4.170 0.000 0.000 0.240 37 I C 2.533 178.630 176.117 -0.033 0.000 1.081 37 I CA 0.956 62.227 61.300 -0.048 0.000 1.353 37 I CB -0.449 37.519 38.000 -0.053 0.000 1.054 37 I HN 0.139 nan 8.210 nan 0.000 0.407 38 C N -0.737 118.521 119.300 -0.071 0.000 2.435 38 C HA -0.133 4.328 4.460 0.000 0.000 0.279 38 C C 2.867 177.911 174.990 0.089 0.000 1.321 38 C CA 1.300 60.266 59.018 -0.086 0.000 1.752 38 C CB -1.212 26.211 27.740 -0.528 0.000 1.959 38 C HN 0.519 nan 8.230 nan 0.000 0.500 39 T N 0.359 114.978 114.554 0.108 0.000 2.607 39 T HA -0.182 4.168 4.350 0.000 0.000 0.267 39 T C 1.649 176.400 174.700 0.084 0.000 1.049 39 T CA 1.446 63.623 62.100 0.129 0.000 1.162 39 T CB -0.268 68.650 68.868 0.084 0.000 0.863 39 T HN 0.592 nan 8.240 nan 0.000 0.424 40 E N 0.077 120.306 120.200 0.048 0.000 2.516 40 E HA -0.006 4.345 4.350 0.000 0.000 0.199 40 E C 1.833 178.459 176.600 0.043 0.000 1.069 40 E CA 0.315 56.737 56.400 0.037 0.000 0.876 40 E CB -0.066 29.645 29.700 0.019 0.000 0.843 40 E HN 0.486 nan 8.360 nan 0.000 0.530 41 M N 0.246 119.881 119.600 0.059 0.000 2.325 41 M HA -0.081 4.399 4.480 0.000 0.000 0.265 41 M C 2.148 178.507 176.300 0.099 0.000 1.094 41 M CA 1.164 56.508 55.300 0.074 0.000 1.161 41 M CB 0.249 32.895 32.600 0.077 0.000 1.358 41 M HN -0.091 nan 8.290 nan 0.000 0.446 42 E N 0.267 120.540 120.200 0.122 0.000 2.077 42 E HA -0.265 4.085 4.350 0.000 0.000 0.193 42 E C 1.695 178.339 176.600 0.074 0.000 0.989 42 E CA 1.315 57.788 56.400 0.120 0.000 0.800 42 E CB 0.093 29.892 29.700 0.166 0.000 0.746 42 E HN 0.294 nan 8.360 nan 0.000 0.452 43 K N 1.065 121.505 120.400 0.066 0.000 2.020 43 K HA -0.177 4.143 4.320 0.000 0.000 0.212 43 K C 1.853 178.481 176.600 0.046 0.000 1.050 43 K CA 1.909 58.224 56.287 0.046 0.000 0.929 43 K CB -0.176 32.347 32.500 0.038 0.000 0.714 43 K HN 0.111 nan 8.250 nan 0.000 0.443 44 E N -1.127 119.105 120.200 0.054 0.000 2.516 44 E HA 0.063 4.413 4.350 0.000 0.000 0.199 44 E C 0.580 177.222 176.600 0.071 0.000 1.069 44 E CA 0.637 57.072 56.400 0.059 0.000 0.876 44 E CB 0.089 29.826 29.700 0.062 0.000 0.843 44 E HN 0.476 nan 8.360 nan 0.000 0.530 45 G N 0.994 109.834 108.800 0.067 0.000 2.160 45 G HA2 -0.395 3.565 3.960 0.000 0.000 0.251 45 G HA3 -0.395 3.565 3.960 0.000 0.000 0.251 45 G C 0.929 175.879 174.900 0.084 0.000 1.008 45 G CA 0.757 45.895 45.100 0.064 0.000 0.724 45 G HN 0.250 nan 8.290 nan 0.000 0.514 46 K N -0.425 120.042 120.400 0.112 0.000 2.296 46 K HA 0.343 4.663 4.320 0.000 0.000 0.200 46 K C 1.491 178.142 176.600 0.086 0.000 1.048 46 K CA 1.381 57.760 56.287 0.153 0.000 0.966 46 K CB 0.021 32.685 32.500 0.274 0.000 0.754 46 K HN 0.857 nan 8.250 nan 0.000 0.466 47 I N -4.830 115.777 120.570 0.061 0.000 3.191 47 I HA 0.481 4.651 4.170 0.000 0.000 0.313 47 I C -1.207 174.937 176.117 0.045 0.000 1.193 47 I CA -1.032 60.286 61.300 0.031 0.000 0.968 47 I CB 2.624 40.639 38.000 0.024 0.000 1.262 47 I HN -0.391 nan 8.210 nan 0.000 0.456 48 S N 1.457 117.159 115.700 0.002 0.000 2.619 48 S HA 0.398 4.868 4.470 0.000 0.000 0.280 48 S C -0.907 173.585 174.600 -0.180 0.000 1.150 48 S CA -0.917 57.244 58.200 -0.066 0.000 0.978 48 S CB 1.792 64.965 63.200 -0.045 0.000 1.041 48 S HN 0.506 nan 8.310 nan 0.000 0.485 49 K N 1.758 121.953 120.400 -0.340 0.000 2.448 49 K HA 0.303 4.623 4.320 0.000 0.000 0.278 49 K C -0.234 176.213 176.600 -0.254 0.000 1.009 49 K CA -0.075 55.913 56.287 -0.498 0.000 0.995 49 K CB 0.447 32.608 32.500 -0.564 0.000 0.917 49 K HN 0.406 nan 8.250 nan 0.000 0.481 50 I N 0.336 120.784 120.570 -0.204 0.000 3.786 50 I HA 0.476 4.647 4.170 0.000 0.000 0.267 50 I C 0.241 176.299 176.117 -0.099 0.000 1.209 50 I CA -0.490 60.742 61.300 -0.114 0.000 1.157 50 I CB 1.810 39.768 38.000 -0.069 0.000 1.399 50 I HN 0.658 nan 8.210 nan 0.000 0.502 51 G N 0.102 108.867 108.800 -0.058 0.000 3.016 51 G HA2 0.483 4.443 3.960 0.000 0.000 0.270 51 G HA3 0.483 4.443 3.960 0.000 0.000 0.270 51 G C -2.365 172.521 174.900 -0.023 0.000 1.352 51 G CA -0.749 44.324 45.100 -0.045 0.000 1.060 51 G HN 0.415 nan 8.290 nan 0.000 0.538 52 P HA -0.091 nan 4.420 nan 0.000 0.216 52 P C 1.446 178.745 177.300 -0.001 0.000 1.150 52 P CA 0.881 63.977 63.100 -0.006 0.000 0.843 52 P CB 0.273 31.968 31.700 -0.008 0.000 0.787 53 E N -0.905 119.293 120.200 -0.004 0.000 2.448 53 E HA -0.147 4.203 4.350 0.000 0.000 0.203 53 E C 0.464 177.075 176.600 0.019 0.000 1.046 53 E CA 0.783 57.184 56.400 0.002 0.000 0.871 53 E CB -0.918 28.781 29.700 -0.002 0.000 0.790 53 E HN 0.258 nan 8.360 nan 0.000 0.545 54 N N 0.573 119.293 118.700 0.033 0.000 2.485 54 N HA 0.103 4.843 4.740 0.000 0.000 0.243 54 N C -1.954 173.609 175.510 0.088 0.000 0.987 54 N CA -2.001 51.101 53.050 0.086 0.000 0.940 54 N CB 1.411 39.958 38.487 0.100 0.000 1.122 54 N HN -0.275 nan 8.380 nan 0.000 0.509 55 P HA -0.143 nan 4.420 nan 0.000 0.215 55 P C -0.356 176.847 177.300 -0.161 0.000 1.163 55 P CA 1.510 64.500 63.100 -0.183 0.000 0.894 55 P CB -0.013 31.388 31.700 -0.499 0.000 0.791 56 Y N -0.892 119.469 120.300 0.101 0.000 2.314 56 Y HA 0.443 4.994 4.550 0.000 0.000 0.334 56 Y C 1.100 177.091 175.900 0.152 0.000 1.266 56 Y CA -0.496 57.690 58.100 0.142 0.000 1.391 56 Y CB -0.247 38.344 38.460 0.219 0.000 1.306 56 Y HN -0.082 nan 8.280 nan 0.000 0.558 57 N N -1.467 117.423 118.700 0.317 0.000 3.020 57 N HA 0.652 5.392 4.740 0.000 0.000 0.248 57 N C -1.761 173.904 175.510 0.258 0.000 1.480 57 N CA -0.508 52.703 53.050 0.269 0.000 0.874 57 N CB 2.035 40.633 38.487 0.186 0.000 1.433 57 N HN 0.665 nan 8.380 nan 0.000 0.530 58 T N 0.312 115.009 114.554 0.238 0.000 2.786 58 T HA 0.563 4.914 4.350 0.000 0.000 0.316 58 T C -2.999 171.743 174.700 0.070 0.000 1.503 58 T CA -0.656 61.528 62.100 0.140 0.000 1.019 58 T CB 2.196 71.163 68.868 0.164 0.000 1.415 58 T HN 0.495 nan 8.240 nan 0.000 0.496 59 P HA 0.689 nan 4.420 nan 0.000 0.285 59 P C -1.303 175.874 177.300 -0.205 0.000 1.285 59 P CA -0.622 62.421 63.100 -0.096 0.000 0.854 59 P CB 1.273 32.891 31.700 -0.138 0.000 1.180 60 V N 1.057 120.896 119.914 -0.126 0.000 2.715 60 V HA 0.443 4.563 4.120 0.000 0.000 0.310 60 V C -0.280 175.844 176.094 0.051 0.000 1.054 60 V CA -0.469 61.757 62.300 -0.124 0.000 0.928 60 V CB 1.422 33.203 31.823 -0.071 0.000 1.007 60 V HN 0.403 nan 8.190 nan 0.000 0.437 61 F N 1.981 121.880 119.950 -0.086 0.000 2.495 61 F HA 0.741 5.268 4.527 0.000 0.000 0.327 61 F C 0.432 176.221 175.800 -0.019 0.000 1.103 61 F CA -1.616 56.359 58.000 -0.041 0.000 0.949 61 F CB 1.983 40.956 39.000 -0.045 0.000 1.142 61 F HN 0.538 nan 8.300 nan 0.000 0.457 62 A N 4.733 127.658 122.820 0.175 0.000 3.219 62 A HA 0.626 4.947 4.320 0.000 0.000 0.314 62 A C 0.612 178.276 177.584 0.134 0.000 1.081 62 A CA -0.074 52.049 52.037 0.143 0.000 0.995 62 A CB -1.306 17.781 19.000 0.145 0.000 1.067 62 A HN 0.730 nan 8.150 nan 0.000 0.533 63 I N -0.658 119.951 120.570 0.066 0.000 3.543 63 I HA 0.585 4.756 4.170 0.000 0.000 0.262 63 I C 0.860 176.974 176.117 -0.004 0.000 1.301 63 I CA 0.450 61.744 61.300 -0.010 0.000 1.242 63 I CB -0.379 37.601 38.000 -0.034 0.000 1.402 63 I HN 1.116 nan 8.210 nan 0.000 0.671 64 K N 2.251 122.607 120.400 -0.073 0.000 2.956 64 K HA 0.454 4.775 4.320 0.000 0.000 0.239 64 K C 0.539 177.076 176.600 -0.105 0.000 1.253 64 K CA 0.179 56.396 56.287 -0.117 0.000 0.963 64 K CB -0.692 31.686 32.500 -0.202 0.000 1.297 64 K HN 0.921 nan 8.250 nan 0.000 0.566 65 K N 0.337 120.693 120.400 -0.073 0.000 2.015 65 K HA -0.243 4.077 4.320 0.000 0.000 0.216 65 K C 2.528 179.086 176.600 -0.070 0.000 1.052 65 K CA 2.469 58.719 56.287 -0.062 0.000 0.937 65 K CB -0.187 32.288 32.500 -0.042 0.000 0.719 65 K HN 0.463 nan 8.250 nan 0.000 0.446 66 K N 0.393 120.749 120.400 -0.072 0.000 2.287 66 K HA 0.130 4.450 4.320 0.000 0.000 0.199 66 K C 0.929 177.476 176.600 -0.088 0.000 1.061 66 K CA 1.595 57.840 56.287 -0.069 0.000 0.976 66 K CB -0.598 31.869 32.500 -0.055 0.000 0.898 66 K HN 0.526 nan 8.250 nan 0.000 0.492 67 D N -0.114 120.216 120.400 -0.116 0.000 3.069 67 D HA -0.026 4.614 4.640 0.000 0.000 0.199 67 D C 0.243 176.463 176.300 -0.132 0.000 1.029 67 D CA 0.744 54.658 54.000 -0.144 0.000 0.869 67 D CB -2.361 38.369 40.800 -0.117 0.000 1.035 67 D HN 1.179 nan 8.370 nan 0.000 0.453 68 S N -1.978 113.647 115.700 -0.125 0.000 2.730 68 S HA 0.738 5.208 4.470 0.000 0.000 0.284 68 S C 1.965 176.493 174.600 -0.120 0.000 1.153 68 S CA 0.734 58.877 58.200 -0.095 0.000 0.995 68 S CB 1.459 64.622 63.200 -0.061 0.000 1.058 68 S HN 1.296 nan 8.310 nan 0.000 0.552 69 T N -2.482 112.030 114.554 -0.069 0.000 2.746 69 T HA 0.058 4.408 4.350 0.000 0.000 0.267 69 T C 0.889 175.597 174.700 0.013 0.000 1.039 69 T CA 1.354 63.431 62.100 -0.038 0.000 1.142 69 T CB -1.112 67.757 68.868 0.002 0.000 0.866 69 T HN 1.043 nan 8.240 nan 0.000 0.444 70 K N 0.790 121.210 120.400 0.033 0.000 2.284 70 K HA 0.455 4.775 4.320 0.000 0.000 0.287 70 K C -0.456 176.240 176.600 0.160 0.000 1.081 70 K CA -0.832 55.526 56.287 0.117 0.000 0.910 70 K CB -0.819 31.723 32.500 0.070 0.000 1.088 70 K HN 0.524 nan 8.250 nan 0.000 0.478 71 W N 1.213 122.503 121.300 -0.016 0.000 2.112 71 W HA 0.434 5.095 4.660 0.000 0.000 0.349 71 W C 1.132 177.640 176.519 -0.019 0.000 1.289 71 W CA 0.210 57.545 57.345 -0.018 0.000 1.256 71 W CB 0.635 30.087 29.460 -0.014 0.000 1.148 71 W HN 0.618 nan 8.180 nan 0.000 0.590 72 R N 0.726 121.380 120.500 0.256 0.000 2.764 72 R HA 0.446 4.786 4.340 0.000 0.000 0.270 72 R C -0.712 175.663 176.300 0.124 0.000 1.014 72 R CA -1.252 54.929 56.100 0.136 0.000 0.904 72 R CB 2.634 32.979 30.300 0.075 0.000 1.236 72 R HN 0.536 nan 8.270 nan 0.000 0.466 73 K N 0.355 120.805 120.400 0.083 0.000 2.349 73 K HA 0.805 5.125 4.320 0.000 0.000 0.243 73 K C -1.511 175.130 176.600 0.069 0.000 1.058 73 K CA -0.852 55.477 56.287 0.070 0.000 0.871 73 K CB 1.718 34.226 32.500 0.014 0.000 1.337 73 K HN 0.269 nan 8.250 nan 0.000 0.469 74 L N -0.359 120.893 121.223 0.050 0.000 2.789 74 L HA 0.450 4.790 4.340 0.000 0.000 0.258 74 L C -2.140 174.669 176.870 -0.101 0.000 0.966 74 L CA -0.448 54.403 54.840 0.018 0.000 0.916 74 L CB 2.318 44.422 42.059 0.075 0.000 1.475 74 L HN 0.566 nan 8.230 nan 0.000 0.418 75 V N 2.399 122.161 119.914 -0.255 0.000 2.487 75 V HA 0.491 4.611 4.120 0.000 0.000 0.298 75 V C -0.986 174.758 176.094 -0.583 0.000 1.028 75 V CA -0.611 61.365 62.300 -0.539 0.000 0.860 75 V CB 1.707 32.998 31.823 -0.887 0.000 0.991 75 V HN 0.697 nan 8.190 nan 0.000 0.427 76 D N 3.670 123.753 120.400 -0.529 0.000 2.411 76 D HA 0.306 4.946 4.640 0.000 0.000 0.225 76 D C -0.233 175.888 176.300 -0.300 0.000 1.156 76 D CA -0.200 53.596 54.000 -0.340 0.000 0.874 76 D CB 0.706 41.320 40.800 -0.310 0.000 1.034 76 D HN 0.360 nan 8.370 nan 0.000 0.502 77 F N 3.501 123.424 119.950 -0.045 0.000 2.705 77 F HA 0.123 4.651 4.527 0.000 0.000 0.355 77 F C 1.942 177.733 175.800 -0.015 0.000 1.172 77 F CA -0.365 57.636 58.000 0.002 0.000 1.332 77 F CB -0.179 38.856 39.000 0.058 0.000 1.621 77 F HN 0.261 nan 8.300 nan 0.000 0.605 78 R N -0.052 120.491 120.500 0.072 0.000 2.070 78 R HA -0.128 4.213 4.340 0.000 0.000 0.227 78 R C 1.618 177.951 176.300 0.055 0.000 1.147 78 R CA 1.390 57.510 56.100 0.033 0.000 0.924 78 R CB -0.641 29.647 30.300 -0.019 0.000 0.827 78 R HN 0.271 nan 8.270 nan 0.000 0.431 79 E N 0.571 120.807 120.200 0.059 0.000 2.160 79 E HA -0.178 4.172 4.350 0.000 0.000 0.195 79 E C 1.913 178.560 176.600 0.078 0.000 0.991 79 E CA 0.935 57.371 56.400 0.062 0.000 0.810 79 E CB -0.048 29.690 29.700 0.064 0.000 0.742 79 E HN 0.161 nan 8.360 nan 0.000 0.466 80 L N 1.157 122.468 121.223 0.146 0.000 2.056 80 L HA -0.127 4.213 4.340 0.000 0.000 0.207 80 L C 1.544 178.436 176.870 0.036 0.000 1.078 80 L CA 1.811 56.736 54.840 0.142 0.000 0.749 80 L CB -0.610 41.625 42.059 0.294 0.000 0.901 80 L HN 0.004 nan 8.230 nan 0.000 0.433 81 N N -0.657 118.055 118.700 0.020 0.000 2.348 81 N HA -0.184 4.557 4.740 0.000 0.000 0.185 81 N C 1.660 177.133 175.510 -0.061 0.000 1.019 81 N CA 1.159 54.169 53.050 -0.068 0.000 0.880 81 N CB 0.007 38.471 38.487 -0.037 0.000 0.965 81 N HN 0.407 nan 8.380 nan 0.000 0.437 82 K N 0.065 120.450 120.400 -0.026 0.000 1.984 82 K HA -0.033 4.287 4.320 0.000 0.000 0.209 82 K C 2.018 178.589 176.600 -0.049 0.000 1.046 82 K CA 1.047 57.316 56.287 -0.031 0.000 0.934 82 K CB -0.058 32.435 32.500 -0.012 0.000 0.717 82 K HN 0.088 nan 8.250 nan 0.000 0.438 83 R N 0.821 121.294 120.500 -0.045 0.000 2.070 83 R HA -0.031 4.309 4.340 0.000 0.000 0.232 83 R C 0.734 176.982 176.300 -0.088 0.000 1.138 83 R CA 1.177 57.235 56.100 -0.069 0.000 0.936 83 R CB -0.841 29.410 30.300 -0.083 0.000 0.839 83 R HN 0.137 nan 8.270 nan 0.000 0.429 84 T N 2.769 117.283 114.554 -0.067 0.000 2.923 84 T HA -0.105 4.245 4.350 0.000 0.000 0.309 84 T C 0.311 174.907 174.700 -0.172 0.000 1.059 84 T CA 0.136 62.207 62.100 -0.049 0.000 1.133 84 T CB 0.322 69.132 68.868 -0.096 0.000 1.053 84 T HN 0.307 nan 8.240 nan 0.000 0.530 85 Q N 2.257 121.941 119.800 -0.193 0.000 2.624 85 Q HA 0.016 4.357 4.340 0.000 0.000 0.256 85 Q C -0.676 175.004 176.000 -0.533 0.000 1.119 85 Q CA -0.211 55.407 55.803 -0.307 0.000 0.995 85 Q CB 0.436 29.010 28.738 -0.273 0.000 1.318 85 Q HN 0.467 nan 8.270 nan 0.000 0.534 86 D N 0.249 120.400 120.400 -0.415 0.000 2.283 86 D HA 0.387 5.027 4.640 0.000 0.000 0.248 86 D C -0.909 175.109 176.300 -0.469 0.000 1.072 86 D CA -0.081 53.707 54.000 -0.353 0.000 0.929 86 D CB 0.579 41.301 40.800 -0.129 0.000 1.182 86 D HN 0.332 nan 8.370 nan 0.000 0.433 87 F N -0.073 119.887 119.950 0.016 0.000 2.613 87 F HA 0.332 4.859 4.527 0.000 0.000 0.342 87 F C 0.133 176.054 175.800 0.202 0.000 1.066 87 F CA -1.202 56.844 58.000 0.076 0.000 1.002 87 F CB 0.966 39.975 39.000 0.015 0.000 1.319 87 F HN 0.274 nan 8.300 nan 0.000 0.495 88 W N 3.390 124.817 121.300 0.212 0.000 2.507 88 W HA 0.240 4.900 4.660 0.000 0.000 0.334 88 W C -0.123 176.454 176.519 0.096 0.000 1.165 88 W CA -0.543 56.866 57.345 0.107 0.000 1.460 88 W CB 0.395 29.901 29.460 0.078 0.000 1.404 88 W HN 0.571 nan 8.180 nan 0.000 0.435 89 E N 3.226 123.290 120.200 -0.227 0.000 2.465 89 E HA -0.098 4.252 4.350 0.000 0.000 0.260 89 E C 1.138 177.375 176.600 -0.604 0.000 0.980 89 E CA 0.133 56.327 56.400 -0.343 0.000 0.927 89 E CB 1.292 30.828 29.700 -0.273 0.000 0.934 89 E HN 0.572 nan 8.360 nan 0.000 0.459 90 V N 0.636 120.365 119.914 -0.308 0.000 2.725 90 V HA 0.006 4.126 4.120 0.000 0.000 0.247 90 V C 1.409 177.433 176.094 -0.118 0.000 1.058 90 V CA 1.043 63.207 62.300 -0.228 0.000 1.080 90 V CB -0.867 30.890 31.823 -0.110 0.000 0.713 90 V HN 0.641 nan 8.190 nan 0.000 0.465 91 Q N 1.172 120.935 119.800 -0.062 0.000 2.684 91 Q HA 0.439 4.780 4.340 0.000 0.000 0.233 91 Q C 0.448 176.432 176.000 -0.027 0.000 1.352 91 Q CA 0.650 56.497 55.803 0.072 0.000 0.872 91 Q CB -1.485 27.297 28.738 0.074 0.000 1.674 91 Q HN 0.859 nan 8.270 nan 0.000 0.558 92 L N 1.302 122.503 121.223 -0.037 0.000 3.036 92 L HA 0.503 4.843 4.340 0.000 0.000 0.237 92 L C 1.354 178.215 176.870 -0.015 0.000 1.319 92 L CA 0.254 55.045 54.840 -0.081 0.000 1.112 92 L CB -0.533 41.450 42.059 -0.125 0.000 1.480 92 L HN 0.964 nan 8.230 nan 0.000 0.506 93 G N 0.983 109.784 108.800 0.002 0.000 2.662 93 G HA2 -0.180 3.781 3.960 0.000 0.000 0.236 93 G HA3 -0.180 3.781 3.960 0.000 0.000 0.236 93 G C -0.460 174.412 174.900 -0.047 0.000 1.212 93 G CA -0.112 44.981 45.100 -0.011 0.000 0.968 93 G HN 0.249 nan 8.290 nan 0.000 0.576 94 I N -2.170 118.382 120.570 -0.030 0.000 3.099 94 I HA 0.650 4.820 4.170 0.000 0.000 0.308 94 I C -2.753 173.381 176.117 0.028 0.000 1.405 94 I CA -1.753 59.529 61.300 -0.031 0.000 0.953 94 I CB 1.272 39.179 38.000 -0.154 0.000 1.324 94 I HN 0.689 nan 8.210 nan 0.000 0.495 95 P HA 0.385 nan 4.420 nan 0.000 0.293 95 P C -1.406 175.831 177.300 -0.105 0.000 1.291 95 P CA -0.070 63.017 63.100 -0.022 0.000 0.867 95 P CB 1.468 33.138 31.700 -0.050 0.000 1.074 96 H N 3.881 122.834 119.070 -0.195 0.000 2.652 96 H HA 0.131 4.687 4.556 0.000 0.000 0.298 96 H C -1.557 173.554 175.328 -0.361 0.000 1.076 96 H CA -1.735 54.155 56.048 -0.264 0.000 1.360 96 H CB 1.442 31.071 29.762 -0.221 0.000 1.421 96 H HN 0.138 nan 8.280 nan 0.000 0.464 97 P HA -0.226 nan 4.420 nan 0.000 0.222 97 P C 0.071 176.815 177.300 -0.926 0.000 1.157 97 P CA 1.483 63.974 63.100 -1.015 0.000 0.905 97 P CB -0.126 30.924 31.700 -1.083 0.000 0.792 98 A N -0.690 121.449 122.820 -1.136 0.000 2.444 98 A HA 0.454 4.774 4.320 0.000 0.000 0.273 98 A C 1.417 179.093 177.584 0.154 0.000 1.136 98 A CA 0.581 52.488 52.037 -0.217 0.000 0.799 98 A CB -0.980 18.187 19.000 0.277 0.000 1.081 98 A HN 0.416 nan 8.150 nan 0.000 0.509 99 G N 1.641 110.666 108.800 0.374 0.000 2.192 99 G HA2 -0.143 3.817 3.960 0.000 0.000 0.193 99 G HA3 -0.143 3.817 3.960 0.000 0.000 0.193 99 G C 0.126 175.166 174.900 0.233 0.000 0.999 99 G CA -0.006 45.359 45.100 0.442 0.000 0.659 99 G HN 0.649 nan 8.290 nan 0.000 0.503 100 L N 0.008 121.270 121.223 0.065 0.000 2.468 100 L HA 0.613 4.953 4.340 0.000 0.000 0.254 100 L C 0.978 177.798 176.870 -0.083 0.000 1.171 100 L CA -0.315 54.448 54.840 -0.128 0.000 0.809 100 L CB 0.971 42.801 42.059 -0.381 0.000 1.155 100 L HN 0.093 nan 8.230 nan 0.000 0.473 101 K N -0.031 120.240 120.400 -0.215 0.000 2.312 101 K HA 0.396 4.717 4.320 0.000 0.000 0.236 101 K C -0.896 175.556 176.600 -0.246 0.000 1.079 101 K CA -0.827 55.384 56.287 -0.126 0.000 0.900 101 K CB 1.194 33.649 32.500 -0.075 0.000 1.297 101 K HN 0.317 nan 8.250 nan 0.000 0.498 102 K N 1.901 122.269 120.400 -0.053 0.000 2.291 102 K HA 0.205 4.525 4.320 0.000 0.000 0.242 102 K C -0.945 175.643 176.600 -0.021 0.000 1.098 102 K CA -0.450 55.849 56.287 0.020 0.000 1.036 102 K CB 0.752 33.332 32.500 0.133 0.000 1.655 102 K HN -0.004 nan 8.250 nan 0.000 0.432 103 K N 2.534 122.890 120.400 -0.074 0.000 2.206 103 K HA 0.093 4.413 4.320 0.000 0.000 0.268 103 K C 0.546 177.109 176.600 -0.061 0.000 1.111 103 K CA -0.265 55.986 56.287 -0.060 0.000 0.955 103 K CB 0.618 33.072 32.500 -0.077 0.000 1.406 103 K HN 0.182 nan 8.250 nan 0.000 0.427 104 K N 0.303 120.680 120.400 -0.039 0.000 2.170 104 K HA -0.260 4.060 4.320 0.000 0.000 0.217 104 K C 0.580 177.115 176.600 -0.108 0.000 0.877 104 K CA 2.039 58.297 56.287 -0.048 0.000 0.997 104 K CB -0.558 31.916 32.500 -0.043 0.000 0.964 104 K HN 0.489 nan 8.250 nan 0.000 0.519 105 S N -1.457 114.100 115.700 -0.239 0.000 2.568 105 S HA 0.684 5.154 4.470 0.000 0.000 0.302 105 S C -1.385 172.888 174.600 -0.545 0.000 1.082 105 S CA -0.730 57.210 58.200 -0.433 0.000 1.009 105 S CB 1.421 64.231 63.200 -0.650 0.000 1.069 105 S HN 0.057 nan 8.310 nan 0.000 0.500 106 V N 2.597 122.325 119.914 -0.311 0.000 2.969 106 V HA 0.609 4.729 4.120 0.000 0.000 0.304 106 V C -0.922 175.174 176.094 0.002 0.000 1.192 106 V CA -0.741 61.515 62.300 -0.075 0.000 0.962 106 V CB 2.351 34.093 31.823 -0.135 0.000 1.045 106 V HN 1.016 nan 8.190 nan 0.000 0.428 107 T N 1.834 116.414 114.554 0.044 0.000 2.903 107 T HA 0.726 5.076 4.350 0.000 0.000 0.299 107 T C -1.066 173.538 174.700 -0.159 0.000 1.093 107 T CA -0.680 61.360 62.100 -0.100 0.000 1.002 107 T CB 2.241 71.053 68.868 -0.094 0.000 1.127 107 T HN 0.385 nan 8.240 nan 0.000 0.488 108 V N 2.508 122.315 119.914 -0.179 0.000 2.495 108 V HA 0.556 4.676 4.120 0.000 0.000 0.298 108 V C -0.898 175.188 176.094 -0.014 0.000 1.031 108 V CA -0.771 61.459 62.300 -0.116 0.000 0.871 108 V CB 1.531 33.282 31.823 -0.120 0.000 0.988 108 V HN 0.691 nan 8.190 nan 0.000 0.432 109 L N 3.979 125.205 121.223 0.005 0.000 2.313 109 L HA 0.488 4.829 4.340 0.000 0.000 0.283 109 L C -0.317 176.597 176.870 0.072 0.000 1.013 109 L CA -0.445 54.411 54.840 0.028 0.000 0.816 109 L CB 1.771 43.830 42.059 -0.001 0.000 1.236 109 L HN 0.613 nan 8.230 nan 0.000 0.419 110 D N 2.208 122.659 120.400 0.085 0.000 2.336 110 D HA 0.206 4.846 4.640 0.000 0.000 0.249 110 D C 0.421 176.782 176.300 0.103 0.000 1.213 110 D CA -0.361 53.700 54.000 0.102 0.000 0.870 110 D CB 1.147 42.002 40.800 0.092 0.000 1.076 110 D HN 0.261 nan 8.370 nan 0.000 0.483 111 V N 2.723 122.716 119.914 0.131 0.000 3.110 111 V HA 0.395 4.515 4.120 0.000 0.000 0.368 111 V C 1.808 178.003 176.094 0.169 0.000 1.332 111 V CA -0.009 62.398 62.300 0.178 0.000 1.287 111 V CB -0.053 31.934 31.823 0.274 0.000 1.277 111 V HN 0.552 nan 8.190 nan 0.000 0.502 112 G N 1.671 110.536 108.800 0.108 0.000 2.628 112 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 112 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 112 G C 0.524 175.453 174.900 0.048 0.000 1.240 112 G CA 1.293 46.424 45.100 0.052 0.000 0.792 112 G HN 0.607 nan 8.290 nan 0.000 0.593 113 D N 0.886 121.327 120.400 0.068 0.000 3.060 113 D HA 0.513 5.153 4.640 0.000 0.000 0.245 113 D C 0.953 177.375 176.300 0.205 0.000 1.274 113 D CA 0.242 54.292 54.000 0.084 0.000 0.864 113 D CB 0.444 41.220 40.800 -0.040 0.000 1.073 113 D HN 0.290 nan 8.370 nan 0.000 0.473 114 A N -0.197 122.812 122.820 0.315 0.000 2.630 114 A HA 0.181 4.502 4.320 0.000 0.000 0.290 114 A C 0.261 178.191 177.584 0.577 0.000 1.267 114 A CA -0.207 52.072 52.037 0.403 0.000 0.950 114 A CB -0.076 19.168 19.000 0.407 0.000 1.144 114 A HN 0.228 nan 8.150 nan 0.000 0.527 115 Y N -2.609 117.823 120.300 0.220 0.000 2.609 115 Y HA 0.235 4.785 4.550 0.000 0.000 0.281 115 Y C 1.390 177.422 175.900 0.219 0.000 1.132 115 Y CA -0.302 57.928 58.100 0.218 0.000 1.264 115 Y CB -0.401 38.048 38.460 -0.018 0.000 1.325 115 Y HN 0.367 nan 8.280 nan 0.000 0.514 116 F N 0.739 120.842 119.950 0.255 0.000 2.411 116 F HA -0.234 4.293 4.527 0.000 0.000 0.299 116 F C 2.458 178.348 175.800 0.151 0.000 1.077 116 F CA 1.589 59.697 58.000 0.181 0.000 1.439 116 F CB -0.201 38.886 39.000 0.146 0.000 1.085 116 F HN 0.122 nan 8.300 nan 0.000 0.564 117 S N -1.526 114.372 115.700 0.331 0.000 2.441 117 S HA 0.064 4.534 4.470 0.000 0.000 0.224 117 S C 0.721 175.417 174.600 0.160 0.000 1.043 117 S CA -0.058 58.278 58.200 0.225 0.000 0.948 117 S CB -0.714 62.608 63.200 0.203 0.000 0.810 117 S HN -0.126 nan 8.310 nan 0.000 0.504 118 V N 5.745 125.750 119.914 0.153 0.000 2.540 118 V HA 0.238 4.358 4.120 0.000 0.000 0.297 118 V C -1.974 174.141 176.094 0.036 0.000 1.024 118 V CA -1.319 61.023 62.300 0.070 0.000 1.105 118 V CB 0.132 31.981 31.823 0.043 0.000 0.938 118 V HN 0.450 nan 8.190 nan 0.000 0.482 119 P HA 0.222 nan 4.420 nan 0.000 0.278 119 P C -0.625 176.636 177.300 -0.065 0.000 1.238 119 P CA -0.574 62.522 63.100 -0.006 0.000 0.794 119 P CB 1.417 33.129 31.700 0.020 0.000 0.955 120 L N 2.479 123.642 121.223 -0.100 0.000 2.439 120 L HA 0.288 4.628 4.340 0.000 0.000 0.261 120 L C 0.624 177.442 176.870 -0.086 0.000 1.153 120 L CA -0.157 54.572 54.840 -0.186 0.000 0.808 120 L CB -0.228 41.689 42.059 -0.236 0.000 1.126 120 L HN 0.427 nan 8.230 nan 0.000 0.460 121 D N 1.788 122.149 120.400 -0.066 0.000 2.443 121 D HA -0.065 4.575 4.640 0.000 0.000 0.239 121 D C 0.413 176.737 176.300 0.040 0.000 1.136 121 D CA 0.052 54.068 54.000 0.027 0.000 0.879 121 D CB 0.916 41.779 40.800 0.106 0.000 1.195 121 D HN 0.562 nan 8.370 nan 0.000 0.443 122 E N 1.841 122.063 120.200 0.037 0.000 2.472 122 E HA -0.110 4.240 4.350 0.000 0.000 0.200 122 E C 0.413 177.023 176.600 0.017 0.000 1.046 122 E CA 0.646 57.060 56.400 0.023 0.000 0.871 122 E CB 0.362 30.072 29.700 0.016 0.000 0.806 122 E HN 0.502 nan 8.360 nan 0.000 0.533 123 D N -0.889 119.537 120.400 0.044 0.000 2.380 123 D HA -0.021 4.619 4.640 0.000 0.000 0.212 123 D C 1.378 177.643 176.300 -0.059 0.000 1.021 123 D CA 0.074 54.072 54.000 -0.004 0.000 0.884 123 D CB 0.040 40.852 40.800 0.019 0.000 1.001 123 D HN 0.101 nan 8.370 nan 0.000 0.506 124 F N 2.556 122.462 119.950 -0.074 0.000 2.335 124 F HA 0.080 4.607 4.527 0.000 0.000 0.296 124 F C 2.209 177.941 175.800 -0.113 0.000 1.091 124 F CA 0.600 58.589 58.000 -0.020 0.000 1.399 124 F CB 0.086 39.162 39.000 0.128 0.000 1.067 124 F HN -0.269 nan 8.300 nan 0.000 0.520 125 R N 0.954 121.550 120.500 0.159 0.000 2.178 125 R HA -0.266 4.074 4.340 0.000 0.000 0.257 125 R C 2.144 178.472 176.300 0.048 0.000 1.163 125 R CA 2.122 58.271 56.100 0.082 0.000 0.981 125 R CB -0.805 29.515 30.300 0.033 0.000 0.878 125 R HN 0.399 nan 8.270 nan 0.000 0.454 126 K N -0.163 120.169 120.400 -0.114 0.000 2.103 126 K HA -0.196 4.124 4.320 0.000 0.000 0.207 126 K C 1.637 178.177 176.600 -0.100 0.000 1.048 126 K CA 1.655 57.849 56.287 -0.155 0.000 0.930 126 K CB -0.488 31.820 32.500 -0.319 0.000 0.716 126 K HN 0.197 nan 8.250 nan 0.000 0.444 127 Y N 3.025 123.264 120.300 -0.102 0.000 2.224 127 Y HA -0.130 4.420 4.550 0.000 0.000 0.289 127 Y C 2.455 178.450 175.900 0.158 0.000 1.146 127 Y CA 1.463 59.493 58.100 -0.117 0.000 1.182 127 Y CB -1.211 37.148 38.460 -0.168 0.000 0.983 127 Y HN 0.282 nan 8.280 nan 0.000 0.524 128 T N -1.259 113.509 114.554 0.357 0.000 3.584 128 T HA 0.387 4.738 4.350 0.000 0.000 0.252 128 T C 0.625 175.659 174.700 0.557 0.000 1.103 128 T CA 0.106 62.430 62.100 0.374 0.000 0.977 128 T CB -1.098 67.844 68.868 0.123 0.000 1.044 128 T HN 0.265 nan 8.240 nan 0.000 0.589 129 A N 1.866 124.944 122.820 0.430 0.000 2.450 129 A HA 0.586 4.906 4.320 0.000 0.000 0.255 129 A C -0.089 177.765 177.584 0.450 0.000 1.096 129 A CA -0.785 51.464 52.037 0.352 0.000 0.778 129 A CB -0.339 18.814 19.000 0.254 0.000 1.031 129 A HN 0.747 nan 8.150 nan 0.000 0.494 130 F N 0.276 120.390 119.950 0.274 0.000 2.588 130 F HA 0.751 5.278 4.527 0.000 0.000 0.310 130 F C 0.014 175.925 175.800 0.184 0.000 1.082 130 F CA -0.661 57.462 58.000 0.205 0.000 0.929 130 F CB 1.463 40.572 39.000 0.182 0.000 1.254 130 F HN 0.502 nan 8.300 nan 0.000 0.455 131 T N 0.713 115.454 114.554 0.311 0.000 2.824 131 T HA 0.663 5.014 4.350 0.000 0.000 0.280 131 T C -0.450 174.386 174.700 0.227 0.000 0.995 131 T CA -0.597 61.628 62.100 0.209 0.000 1.009 131 T CB 1.504 70.458 68.868 0.144 0.000 0.955 131 T HN 0.730 nan 8.240 nan 0.000 0.452 132 I N 3.757 124.450 120.570 0.206 0.000 2.578 132 I HA 0.274 4.444 4.170 0.000 0.000 0.284 132 I C -2.504 173.684 176.117 0.119 0.000 1.156 132 I CA -2.251 59.148 61.300 0.165 0.000 1.165 132 I CB 0.664 38.767 38.000 0.173 0.000 1.567 132 I HN 0.340 nan 8.210 nan 0.000 0.546 133 P HA 0.172 nan 4.420 nan 0.000 0.276 133 P C -0.008 177.325 177.300 0.055 0.000 1.244 133 P CA -0.171 62.971 63.100 0.069 0.000 0.801 133 P CB 1.017 32.755 31.700 0.062 0.000 1.006 134 S N 1.429 117.155 115.700 0.043 0.000 2.666 134 S HA 0.281 4.751 4.470 0.000 0.000 0.279 134 S C 1.277 175.894 174.600 0.028 0.000 1.149 134 S CA -0.545 57.674 58.200 0.032 0.000 1.020 134 S CB -0.071 63.145 63.200 0.026 0.000 1.127 134 S HN 0.497 nan 8.310 nan 0.000 0.537 135 I N 0.454 121.037 120.570 0.022 0.000 2.133 135 I HA -0.106 4.064 4.170 0.000 0.000 0.238 135 I C 0.444 176.572 176.117 0.020 0.000 1.074 135 I CA 1.382 62.695 61.300 0.020 0.000 1.342 135 I CB -0.316 37.694 38.000 0.016 0.000 1.053 135 I HN 0.561 nan 8.210 nan 0.000 0.404 136 N N 3.305 122.015 118.700 0.017 0.000 2.597 136 N HA -0.012 4.728 4.740 0.000 0.000 0.269 136 N C -0.101 175.418 175.510 0.016 0.000 1.204 136 N CA 0.519 53.578 53.050 0.016 0.000 0.947 136 N CB -0.782 37.713 38.487 0.013 0.000 1.258 136 N HN 0.538 nan 8.380 nan 0.000 0.508 137 N N -0.665 118.047 118.700 0.020 0.000 2.651 137 N HA -0.328 4.413 4.740 0.000 0.000 0.249 137 N C 0.617 176.137 175.510 0.017 0.000 1.054 137 N CA 1.529 54.591 53.050 0.021 0.000 0.765 137 N CB -1.677 36.822 38.487 0.020 0.000 0.988 137 N HN 0.546 nan 8.380 nan 0.000 0.543 138 E N -1.075 119.135 120.200 0.016 0.000 2.150 138 E HA 0.113 4.463 4.350 0.000 0.000 0.193 138 E C 1.575 178.183 176.600 0.014 0.000 0.985 138 E CA 1.688 58.096 56.400 0.013 0.000 0.814 138 E CB -0.747 28.960 29.700 0.012 0.000 0.752 138 E HN 1.091 nan 8.360 nan 0.000 0.466 139 T N 0.361 114.926 114.554 0.018 0.000 3.410 139 T HA 0.540 4.890 4.350 0.000 0.000 0.328 139 T C -1.774 172.942 174.700 0.027 0.000 1.567 139 T CA -0.723 61.388 62.100 0.019 0.000 1.626 139 T CB 0.760 69.640 68.868 0.020 0.000 0.939 139 T HN -0.093 nan 8.240 nan 0.000 0.656 140 P HA -0.019 nan 4.420 nan 0.000 0.217 140 P C 1.473 178.795 177.300 0.037 0.000 1.148 140 P CA 1.066 64.185 63.100 0.031 0.000 0.828 140 P CB 0.287 32.001 31.700 0.024 0.000 0.783 141 G N -0.509 108.307 108.800 0.027 0.000 3.882 141 G HA2 0.218 4.178 3.960 0.000 0.000 0.283 141 G HA3 0.218 4.178 3.960 0.000 0.000 0.283 141 G C 0.076 174.990 174.900 0.024 0.000 1.283 141 G CA -0.275 44.840 45.100 0.025 0.000 1.402 141 G HN 0.218 nan 8.290 nan 0.000 0.618 142 I N 2.042 122.647 120.570 0.059 0.000 2.213 142 I HA 0.214 4.384 4.170 0.000 0.000 0.295 142 I C 0.483 176.706 176.117 0.177 0.000 1.172 142 I CA -0.322 61.033 61.300 0.091 0.000 1.443 142 I CB -0.289 37.798 38.000 0.146 0.000 1.491 142 I HN 0.227 nan 8.210 nan 0.000 0.652 143 R N 3.561 124.093 120.500 0.054 0.000 2.589 143 R HA 0.683 5.023 4.340 0.000 0.000 0.293 143 R C -1.511 174.734 176.300 -0.092 0.000 0.963 143 R CA -0.854 55.285 56.100 0.065 0.000 0.905 143 R CB 1.310 31.619 30.300 0.017 0.000 1.144 143 R HN 0.064 nan 8.270 nan 0.000 0.459 144 Y N 0.305 120.238 120.300 -0.611 0.000 2.524 144 Y HA 0.314 4.864 4.550 0.000 0.000 0.344 144 Y C 0.707 176.159 175.900 -0.747 0.000 1.012 144 Y CA -1.211 56.478 58.100 -0.684 0.000 1.068 144 Y CB 1.583 39.561 38.460 -0.803 0.000 1.249 144 Y HN 0.531 nan 8.280 nan 0.000 0.468 145 Q N 0.061 119.756 119.800 -0.175 0.000 2.846 145 Q HA 0.416 4.757 4.340 0.000 0.000 0.185 145 Q C -1.411 174.717 176.000 0.213 0.000 1.105 145 Q CA -0.722 55.099 55.803 0.030 0.000 0.724 145 Q CB 0.925 29.688 28.738 0.041 0.000 4.033 145 Q HN 0.663 nan 8.270 nan 0.000 0.373 146 Y N 0.046 120.412 120.300 0.110 0.000 2.274 146 Y HA 0.162 4.713 4.550 0.000 0.000 0.323 146 Y C -0.431 175.461 175.900 -0.013 0.000 1.171 146 Y CA -0.408 57.757 58.100 0.108 0.000 1.163 146 Y CB 0.918 39.448 38.460 0.116 0.000 1.183 146 Y HN 0.526 nan 8.280 nan 0.000 0.424 147 N N 0.966 119.756 118.700 0.151 0.000 2.376 147 N HA 0.051 4.792 4.740 0.000 0.000 0.177 147 N C -0.060 175.468 175.510 0.030 0.000 1.024 147 N CA 0.784 53.875 53.050 0.069 0.000 0.893 147 N CB 0.544 39.067 38.487 0.060 0.000 0.980 147 N HN 0.261 nan 8.380 nan 0.000 0.439 148 V N -1.636 118.312 119.914 0.057 0.000 3.103 148 V HA 0.407 4.527 4.120 0.000 0.000 0.318 148 V C 0.166 176.158 176.094 -0.170 0.000 1.114 148 V CA -1.389 60.901 62.300 -0.017 0.000 1.020 148 V CB 1.429 33.296 31.823 0.073 0.000 1.085 148 V HN -0.051 nan 8.190 nan 0.000 0.446 149 L N 2.546 123.632 121.223 -0.227 0.000 2.742 149 L HA 0.201 4.541 4.340 0.000 0.000 0.275 149 L C -2.018 174.614 176.870 -0.397 0.000 1.141 149 L CA -0.885 53.733 54.840 -0.370 0.000 0.987 149 L CB -0.470 41.504 42.059 -0.141 0.000 1.319 149 L HN 0.497 nan 8.230 nan 0.000 0.478 150 P HA -0.034 nan 4.420 nan 0.000 0.272 150 P C -0.477 176.642 177.300 -0.301 0.000 1.248 150 P CA -0.345 62.361 63.100 -0.657 0.000 0.799 150 P CB 0.459 31.515 31.700 -1.074 0.000 0.997 151 Q N 0.205 119.912 119.800 -0.155 0.000 2.293 151 Q HA 0.340 4.680 4.340 0.000 0.000 0.263 151 Q C 0.991 177.047 176.000 0.094 0.000 1.002 151 Q CA 0.850 56.646 55.803 -0.011 0.000 0.910 151 Q CB -0.124 28.666 28.738 0.088 0.000 1.185 151 Q HN 0.763 nan 8.270 nan 0.000 0.401 152 G N 4.009 112.838 108.800 0.049 0.000 4.391 152 G HA2 -0.320 3.641 3.960 0.000 0.000 0.210 152 G HA3 -0.320 3.641 3.960 0.000 0.000 0.210 152 G C -0.477 174.482 174.900 0.099 0.000 1.547 152 G CA -0.209 44.938 45.100 0.079 0.000 1.103 152 G HN 0.854 nan 8.290 nan 0.000 0.637 153 W N 3.892 125.150 121.300 -0.070 0.000 3.107 153 W HA -0.022 4.638 4.660 0.000 0.000 0.388 153 W C 1.620 178.068 176.519 -0.118 0.000 0.698 153 W CA 1.795 59.026 57.345 -0.191 0.000 0.668 153 W CB -0.322 28.883 29.460 -0.425 0.000 1.669 153 W HN 0.904 nan 8.180 nan 0.000 0.675 154 K N 3.247 123.345 120.400 -0.503 0.000 2.635 154 K HA -0.320 4.000 4.320 0.000 0.000 0.203 154 K C 2.011 178.387 176.600 -0.373 0.000 0.873 154 K CA 3.079 59.124 56.287 -0.402 0.000 0.919 154 K CB -1.229 31.023 32.500 -0.413 0.000 1.309 154 K HN 0.632 nan 8.250 nan 0.000 0.542 155 G N -1.398 106.897 108.800 -0.841 0.000 2.494 155 G HA2 -0.098 3.862 3.960 0.000 0.000 0.216 155 G HA3 -0.098 3.862 3.960 0.000 0.000 0.216 155 G C 1.299 176.055 174.900 -0.240 0.000 1.140 155 G CA 0.699 45.204 45.100 -0.992 0.000 0.801 155 G HN 0.382 nan 8.290 nan 0.000 0.536 156 S N 2.100 117.996 115.700 0.326 0.000 2.429 156 S HA -0.204 4.266 4.470 0.000 0.000 0.263 156 S C 0.128 174.831 174.600 0.171 0.000 1.084 156 S CA 2.099 60.483 58.200 0.306 0.000 1.284 156 S CB -1.326 62.056 63.200 0.305 0.000 1.192 156 S HN 0.365 nan 8.310 nan 0.000 0.436 157 P HA -0.002 nan 4.420 nan 0.000 0.219 157 P C 1.139 178.421 177.300 -0.030 0.000 1.146 157 P CA 1.506 64.677 63.100 0.119 0.000 0.808 157 P CB -0.142 31.579 31.700 0.036 0.000 0.779 158 A N -1.151 121.584 122.820 -0.142 0.000 1.898 158 A HA -0.044 4.276 4.320 0.000 0.000 0.214 158 A C 2.145 179.616 177.584 -0.189 0.000 1.183 158 A CA 1.007 52.916 52.037 -0.213 0.000 0.622 158 A CB -1.258 17.482 19.000 -0.433 0.000 0.824 158 A HN 0.103 nan 8.150 nan 0.000 0.444 159 I N -1.940 118.503 120.570 -0.212 0.000 2.235 159 I HA -0.099 4.071 4.170 0.000 0.000 0.241 159 I C 2.268 178.307 176.117 -0.130 0.000 1.085 159 I CA 1.135 62.343 61.300 -0.152 0.000 1.378 159 I CB -0.348 37.581 38.000 -0.118 0.000 1.076 159 I HN 0.412 nan 8.210 nan 0.000 0.415 160 F N 1.536 121.313 119.950 -0.287 0.000 2.192 160 F HA -0.307 4.220 4.527 0.000 0.000 0.301 160 F C 2.537 178.107 175.800 -0.384 0.000 1.079 160 F CA 1.733 59.476 58.000 -0.429 0.000 1.303 160 F CB -0.343 38.123 39.000 -0.890 0.000 1.024 160 F HN 0.082 nan 8.300 nan 0.000 0.494 161 Q N -0.172 119.565 119.800 -0.105 0.000 2.123 161 Q HA -0.157 4.183 4.340 0.000 0.000 0.199 161 Q C 2.467 178.313 176.000 -0.256 0.000 0.966 161 Q CA 1.585 57.290 55.803 -0.164 0.000 0.845 161 Q CB -0.335 28.360 28.738 -0.071 0.000 0.907 161 Q HN 0.493 nan 8.270 nan 0.000 0.439 162 S N -0.151 115.428 115.700 -0.201 0.000 2.345 162 S HA -0.105 4.366 4.470 0.000 0.000 0.220 162 S C 2.061 176.506 174.600 -0.258 0.000 1.031 162 S CA 1.519 59.614 58.200 -0.176 0.000 0.996 162 S CB -0.110 63.030 63.200 -0.101 0.000 0.882 162 S HN 0.467 nan 8.310 nan 0.000 0.445 163 S N 2.043 117.556 115.700 -0.312 0.000 2.359 163 S HA -0.147 4.323 4.470 0.000 0.000 0.222 163 S C 1.989 176.298 174.600 -0.485 0.000 1.038 163 S CA 1.614 59.592 58.200 -0.369 0.000 1.051 163 S CB -0.507 62.472 63.200 -0.369 0.000 0.944 163 S HN 0.416 nan 8.310 nan 0.000 0.433 164 M N 1.453 120.670 119.600 -0.639 0.000 2.195 164 M HA -0.110 4.370 4.480 0.000 0.000 0.260 164 M C 2.187 178.203 176.300 -0.472 0.000 1.066 164 M CA 1.438 56.347 55.300 -0.652 0.000 1.089 164 M CB -1.967 30.119 32.600 -0.857 0.000 1.377 164 M HN 0.368 nan 8.290 nan 0.000 0.411 165 T N -0.071 114.256 114.554 -0.379 0.000 2.777 165 T HA -0.122 4.228 4.350 0.000 0.000 0.266 165 T C 1.897 176.447 174.700 -0.250 0.000 1.040 165 T CA 1.145 63.083 62.100 -0.271 0.000 1.141 165 T CB -0.050 68.702 68.868 -0.194 0.000 0.868 165 T HN 0.400 nan 8.240 nan 0.000 0.444 166 K N 0.535 120.772 120.400 -0.273 0.000 2.155 166 K HA 0.121 4.441 4.320 0.000 0.000 0.203 166 K C 2.198 178.599 176.600 -0.331 0.000 1.052 166 K CA 0.736 56.878 56.287 -0.242 0.000 0.948 166 K CB -0.210 32.156 32.500 -0.222 0.000 0.728 166 K HN 0.338 nan 8.250 nan 0.000 0.448 167 I N 1.134 121.398 120.570 -0.509 0.000 2.179 167 I HA -0.281 3.889 4.170 0.000 0.000 0.242 167 I C 1.705 177.572 176.117 -0.417 0.000 1.088 167 I CA 1.459 62.348 61.300 -0.685 0.000 1.357 167 I CB -0.298 37.220 38.000 -0.802 0.000 1.051 167 I HN 0.120 nan 8.210 nan 0.000 0.409 168 L N 0.250 121.245 121.223 -0.381 0.000 2.599 168 L HA 0.004 4.344 4.340 0.000 0.000 0.230 168 L C 2.140 178.928 176.870 -0.136 0.000 1.141 168 L CA 0.113 54.739 54.840 -0.356 0.000 0.877 168 L CB -0.622 41.219 42.059 -0.363 0.000 1.009 168 L HN 0.155 nan 8.230 nan 0.000 0.447 169 E N 1.961 122.105 120.200 -0.092 0.000 2.097 169 E HA -0.183 4.168 4.350 0.000 0.000 0.196 169 E C -0.575 176.072 176.600 0.079 0.000 1.000 169 E CA 1.796 58.189 56.400 -0.011 0.000 0.804 169 E CB -0.793 28.890 29.700 -0.030 0.000 0.740 169 E HN 0.315 nan 8.360 nan 0.000 0.454 170 P HA 0.027 nan 4.420 nan 0.000 0.220 170 P C 1.087 178.534 177.300 0.244 0.000 1.154 170 P CA 0.631 63.856 63.100 0.208 0.000 0.830 170 P CB -0.176 31.696 31.700 0.287 0.000 0.803 171 F N 1.733 121.760 119.950 0.128 0.000 2.134 171 F HA -0.108 4.420 4.527 0.000 0.000 0.299 171 F C 2.049 177.851 175.800 0.002 0.000 1.097 171 F CA 1.579 59.621 58.000 0.070 0.000 1.264 171 F CB -0.364 38.575 39.000 -0.103 0.000 1.001 171 F HN -0.253 nan 8.300 nan 0.000 0.479 172 K N 0.130 120.719 120.400 0.314 0.000 2.365 172 K HA -0.163 4.157 4.320 0.000 0.000 0.199 172 K C 2.138 178.798 176.600 0.099 0.000 1.045 172 K CA 0.878 57.272 56.287 0.179 0.000 0.962 172 K CB -0.052 32.490 32.500 0.069 0.000 0.759 172 K HN 0.246 nan 8.250 nan 0.000 0.469 173 K N 0.003 120.459 120.400 0.094 0.000 2.166 173 K HA -0.063 4.258 4.320 0.000 0.000 0.201 173 K C 1.716 178.330 176.600 0.022 0.000 1.052 173 K CA 0.785 57.103 56.287 0.052 0.000 0.969 173 K CB 0.275 32.810 32.500 0.058 0.000 0.761 173 K HN 0.130 nan 8.250 nan 0.000 0.459 174 Q N 0.193 119.993 119.800 0.000 0.000 2.123 174 Q HA -0.019 4.321 4.340 0.000 0.000 0.196 174 Q C -0.260 175.680 176.000 -0.101 0.000 0.958 174 Q CA 0.971 56.737 55.803 -0.062 0.000 0.841 174 Q CB 0.184 28.857 28.738 -0.109 0.000 0.915 174 Q HN 0.263 nan 8.270 nan 0.000 0.455 175 N N 2.135 120.751 118.700 -0.139 0.000 2.817 175 N HA 0.101 4.841 4.740 0.000 0.000 0.234 175 N C -2.225 173.287 175.510 0.002 0.000 1.066 175 N CA -1.133 51.848 53.050 -0.115 0.000 0.926 175 N CB 1.213 39.551 38.487 -0.248 0.000 1.176 175 N HN 0.058 nan 8.380 nan 0.000 0.506 176 P HA -0.102 nan 4.420 nan 0.000 0.213 176 P C 0.104 177.420 177.300 0.027 0.000 1.170 176 P CA 1.324 64.436 63.100 0.020 0.000 0.889 176 P CB 0.337 32.041 31.700 0.007 0.000 0.782 177 D N -0.408 120.004 120.400 0.020 0.000 2.371 177 D HA 0.047 4.687 4.640 0.000 0.000 0.221 177 D C 1.164 177.486 176.300 0.037 0.000 0.986 177 D CA 0.122 54.136 54.000 0.023 0.000 0.899 177 D CB -0.457 40.353 40.800 0.016 0.000 0.902 177 D HN 0.235 nan 8.370 nan 0.000 0.530 178 I N 0.178 120.780 120.570 0.052 0.000 3.004 178 I HA 0.143 4.314 4.170 0.000 0.000 0.287 178 I C -0.726 175.425 176.117 0.058 0.000 1.144 178 I CA -0.254 61.089 61.300 0.071 0.000 1.353 178 I CB 0.774 38.833 38.000 0.098 0.000 1.417 178 I HN -0.343 nan 8.210 nan 0.000 0.602 179 V N 6.975 126.915 119.914 0.044 0.000 2.655 179 V HA 0.374 4.495 4.120 0.000 0.000 0.301 179 V C -0.343 175.748 176.094 -0.005 0.000 1.082 179 V CA -0.432 61.878 62.300 0.016 0.000 0.899 179 V CB 1.581 33.404 31.823 0.000 0.000 1.014 179 V HN 0.489 nan 8.190 nan 0.000 0.429 180 I N 5.034 125.590 120.570 -0.023 0.000 2.437 180 I HA 0.547 4.717 4.170 0.000 0.000 0.298 180 I C -0.840 175.270 176.117 -0.013 0.000 0.984 180 I CA -0.749 60.519 61.300 -0.053 0.000 1.214 180 I CB 1.392 39.316 38.000 -0.127 0.000 1.365 180 I HN 0.679 nan 8.210 nan 0.000 0.469 181 Y N 5.219 125.433 120.300 -0.143 0.000 2.545 181 Y HA 0.597 5.147 4.550 0.000 0.000 0.348 181 Y C -0.921 174.912 175.900 -0.111 0.000 1.002 181 Y CA -0.779 57.239 58.100 -0.136 0.000 1.039 181 Y CB 1.872 40.212 38.460 -0.200 0.000 1.271 181 Y HN 0.638 nan 8.280 nan 0.000 0.467 182 Q N 4.107 123.270 119.800 -1.061 0.000 2.340 182 Q HA 0.567 4.907 4.340 0.000 0.000 0.276 182 Q C -2.548 173.073 176.000 -0.632 0.000 1.048 182 Q CA -0.682 54.775 55.803 -0.575 0.000 0.832 182 Q CB 2.418 30.981 28.738 -0.292 0.000 1.373 182 Q HN 0.748 nan 8.270 nan 0.000 0.409 183 Y N 4.182 124.377 120.300 -0.175 0.000 2.565 183 Y HA 0.428 4.978 4.550 0.000 0.000 0.330 183 Y C 0.154 176.176 175.900 0.203 0.000 1.150 183 Y CA -0.546 57.612 58.100 0.097 0.000 1.055 183 Y CB 1.278 40.019 38.460 0.469 0.000 1.337 183 Y HN 0.861 nan 8.280 nan 0.000 0.457 184 M N 1.700 120.951 119.600 -0.583 0.000 7.312 184 M HA -0.408 4.072 4.480 0.000 0.000 0.286 184 M C -0.009 176.285 176.300 -0.010 0.000 0.480 184 M CA 2.864 58.001 55.300 -0.273 0.000 1.310 184 M CB -1.711 30.878 32.600 -0.018 0.000 0.429 184 M HN 0.896 nan 8.290 nan 0.000 0.480 185 D N -0.660 119.798 120.400 0.096 0.000 2.594 185 D HA 0.297 4.937 4.640 0.000 0.000 0.256 185 D C -1.060 175.339 176.300 0.165 0.000 1.393 185 D CA -0.124 53.944 54.000 0.113 0.000 0.797 185 D CB 0.652 41.488 40.800 0.061 0.000 1.110 185 D HN 0.271 nan 8.370 nan 0.000 0.495 186 D N 0.778 121.310 120.400 0.220 0.000 2.502 186 D HA 0.341 4.981 4.640 0.000 0.000 0.249 186 D C -1.268 175.140 176.300 0.179 0.000 1.092 186 D CA -0.548 53.593 54.000 0.236 0.000 0.839 186 D CB 1.788 42.801 40.800 0.355 0.000 1.264 186 D HN -0.111 nan 8.370 nan 0.000 0.511 187 L N 2.792 124.078 121.223 0.105 0.000 2.287 187 L HA 0.705 5.045 4.340 0.000 0.000 0.287 187 L C -0.900 175.955 176.870 -0.026 0.000 1.022 187 L CA -0.788 54.069 54.840 0.028 0.000 0.814 187 L CB 0.740 42.795 42.059 -0.006 0.000 1.217 187 L HN 0.404 nan 8.230 nan 0.000 0.420 188 L N 6.061 127.258 121.223 -0.043 0.000 2.295 188 L HA 0.767 5.107 4.340 0.000 0.000 0.281 188 L C -0.376 176.432 176.870 -0.102 0.000 1.018 188 L CA -0.664 54.085 54.840 -0.152 0.000 0.841 188 L CB 1.176 43.074 42.059 -0.269 0.000 1.218 188 L HN 0.394 nan 8.230 nan 0.000 0.424 189 V N 2.471 122.332 119.914 -0.088 0.000 2.481 189 V HA 0.942 5.062 4.120 0.000 0.000 0.286 189 V C 0.817 176.947 176.094 0.060 0.000 1.042 189 V CA -0.126 62.150 62.300 -0.041 0.000 0.928 189 V CB 1.221 33.002 31.823 -0.071 0.000 0.986 189 V HN 1.190 nan 8.190 nan 0.000 0.462 190 G N 2.338 111.197 108.800 0.099 0.000 2.733 190 G HA2 0.757 4.717 3.960 0.000 0.000 0.297 190 G HA3 0.757 4.717 3.960 0.000 0.000 0.297 190 G C -0.864 174.153 174.900 0.196 0.000 1.422 190 G CA 0.112 45.325 45.100 0.189 0.000 0.942 190 G HN 1.090 nan 8.290 nan 0.000 0.510 191 S N -0.458 115.385 115.700 0.238 0.000 2.727 191 S HA 0.683 5.154 4.470 0.000 0.000 0.278 191 S C -1.870 172.779 174.600 0.082 0.000 1.186 191 S CA -0.788 57.517 58.200 0.176 0.000 0.836 191 S CB 2.305 65.673 63.200 0.280 0.000 1.186 191 S HN 0.279 nan 8.310 nan 0.000 0.499 192 D N 0.987 121.431 120.400 0.073 0.000 2.749 192 D HA 0.541 5.181 4.640 0.000 0.000 0.338 192 D C -1.200 175.130 176.300 0.050 0.000 1.236 192 D CA 0.060 54.080 54.000 0.033 0.000 0.845 192 D CB 0.345 41.154 40.800 0.015 0.000 1.080 192 D HN 0.474 nan 8.370 nan 0.000 0.497 193 L N 0.554 121.826 121.223 0.082 0.000 2.436 193 L HA 0.339 4.679 4.340 0.000 0.000 0.268 193 L C 0.039 176.961 176.870 0.087 0.000 0.974 193 L CA -1.067 53.828 54.840 0.090 0.000 0.826 193 L CB 2.440 44.573 42.059 0.123 0.000 1.291 193 L HN -0.223 nan 8.230 nan 0.000 0.406 194 E N 3.755 123.987 120.200 0.053 0.000 2.463 194 E HA 0.032 4.382 4.350 0.000 0.000 0.248 194 E C 1.177 177.810 176.600 0.054 0.000 1.106 194 E CA 0.162 56.584 56.400 0.036 0.000 0.946 194 E CB -0.016 29.697 29.700 0.022 0.000 0.971 194 E HN 0.390 nan 8.360 nan 0.000 0.478 195 I N 1.942 122.538 120.570 0.043 0.000 4.199 195 I HA -0.466 3.704 4.170 0.000 0.000 0.114 195 I C 1.749 177.914 176.117 0.080 0.000 0.624 195 I CA 2.465 63.794 61.300 0.049 0.000 0.951 195 I CB -1.714 36.281 38.000 -0.008 0.000 0.827 195 I HN 0.691 nan 8.210 nan 0.000 0.217 196 G N -0.740 108.085 108.800 0.042 0.000 2.394 196 G HA2 -0.218 3.743 3.960 0.000 0.000 0.215 196 G HA3 -0.218 3.743 3.960 0.000 0.000 0.215 196 G C 1.387 176.322 174.900 0.057 0.000 1.165 196 G CA 0.753 45.874 45.100 0.035 0.000 0.784 196 G HN 0.583 nan 8.290 nan 0.000 0.535 197 Q N -0.684 119.154 119.800 0.064 0.000 2.437 197 Q HA -0.096 4.244 4.340 0.000 0.000 0.210 197 Q C 1.941 178.003 176.000 0.103 0.000 0.972 197 Q CA 0.556 56.397 55.803 0.063 0.000 0.903 197 Q CB -0.123 28.646 28.738 0.052 0.000 0.967 197 Q HN 0.725 nan 8.270 nan 0.000 0.486 198 H N -0.127 118.962 119.070 0.031 0.000 2.388 198 H HA 0.090 4.646 4.556 0.000 0.000 0.304 198 H C 1.575 176.948 175.328 0.076 0.000 1.049 198 H CA 0.438 56.518 56.048 0.053 0.000 1.371 198 H CB 0.431 30.227 29.762 0.057 0.000 1.436 198 H HN 0.128 nan 8.280 nan 0.000 0.544 199 R N 0.659 121.233 120.500 0.123 0.000 2.211 199 R HA -0.118 4.222 4.340 0.000 0.000 0.240 199 R C 2.469 178.794 176.300 0.042 0.000 1.144 199 R CA 1.508 57.659 56.100 0.085 0.000 0.992 199 R CB -0.303 30.036 30.300 0.064 0.000 0.869 199 R HN 0.515 nan 8.270 nan 0.000 0.462 200 T N 0.245 114.815 114.554 0.027 0.000 2.529 200 T HA -0.189 4.161 4.350 0.000 0.000 0.261 200 T C 1.765 176.489 174.700 0.040 0.000 1.110 200 T CA 0.911 63.028 62.100 0.027 0.000 1.192 200 T CB -0.153 68.724 68.868 0.014 0.000 0.864 200 T HN 0.014 nan 8.240 nan 0.000 0.407 201 K N 1.124 121.536 120.400 0.020 0.000 2.218 201 K HA -0.033 4.288 4.320 0.000 0.000 0.205 201 K C 2.268 178.969 176.600 0.168 0.000 1.046 201 K CA 0.895 57.241 56.287 0.098 0.000 0.933 201 K CB -0.607 31.916 32.500 0.038 0.000 0.728 201 K HN 0.504 nan 8.250 nan 0.000 0.454 202 I N 0.514 121.095 120.570 0.019 0.000 2.333 202 I HA -0.130 4.041 4.170 0.000 0.000 0.246 202 I C 2.275 178.435 176.117 0.070 0.000 1.106 202 I CA 1.022 62.328 61.300 0.010 0.000 1.411 202 I CB -1.154 36.844 38.000 -0.002 0.000 1.082 202 I HN 0.093 nan 8.210 nan 0.000 0.420 203 E N 1.499 121.752 120.200 0.088 0.000 2.106 203 E HA -0.188 4.163 4.350 0.000 0.000 0.192 203 E C 2.098 178.778 176.600 0.133 0.000 0.984 203 E CA 1.273 57.730 56.400 0.096 0.000 0.806 203 E CB -0.071 29.677 29.700 0.081 0.000 0.750 203 E HN 0.416 nan 8.360 nan 0.000 0.458 204 E N -0.475 119.832 120.200 0.178 0.000 2.058 204 E HA -0.199 4.151 4.350 0.000 0.000 0.194 204 E C 1.978 178.843 176.600 0.442 0.000 0.997 204 E CA 1.159 57.721 56.400 0.269 0.000 0.801 204 E CB -0.201 29.637 29.700 0.229 0.000 0.746 204 E HN 0.206 nan 8.360 nan 0.000 0.450 205 L N 1.431 122.889 121.223 0.392 0.000 1.994 205 L HA -0.191 4.149 4.340 0.000 0.000 0.208 205 L C 2.310 179.202 176.870 0.037 0.000 1.071 205 L CA 1.858 56.696 54.840 -0.004 0.000 0.745 205 L CB -0.533 41.343 42.059 -0.305 0.000 0.892 205 L HN -0.057 nan 8.230 nan 0.000 0.431 206 R N -1.362 119.172 120.500 0.057 0.000 2.211 206 R HA -0.199 4.141 4.340 0.000 0.000 0.240 206 R C 1.994 178.355 176.300 0.102 0.000 1.144 206 R CA 1.442 57.579 56.100 0.062 0.000 0.992 206 R CB 0.045 30.383 30.300 0.063 0.000 0.869 206 R HN 0.522 nan 8.270 nan 0.000 0.462 207 Q N -1.303 118.585 119.800 0.147 0.000 2.178 207 Q HA -0.093 4.247 4.340 0.000 0.000 0.195 207 Q C 1.781 177.905 176.000 0.206 0.000 0.960 207 Q CA 1.491 57.384 55.803 0.149 0.000 0.843 207 Q CB -0.602 28.211 28.738 0.126 0.000 0.927 207 Q HN 0.580 nan 8.270 nan 0.000 0.487 208 H N 0.871 120.041 119.070 0.167 0.000 2.292 208 H HA -0.157 4.399 4.556 0.000 0.000 0.292 208 H C 2.057 177.534 175.328 0.248 0.000 1.100 208 H CA 1.964 58.147 56.048 0.226 0.000 1.238 208 H CB -0.015 29.951 29.762 0.339 0.000 1.355 208 H HN 0.077 nan 8.280 nan 0.000 0.484 209 L N -0.193 121.268 121.223 0.396 0.000 1.970 209 L HA -0.221 4.119 4.340 0.000 0.000 0.212 209 L C 2.578 179.611 176.870 0.272 0.000 1.071 209 L CA 0.708 55.713 54.840 0.276 0.000 0.751 209 L CB -0.573 41.536 42.059 0.083 0.000 0.889 209 L HN 0.371 nan 8.230 nan 0.000 0.432 210 L N 0.335 121.668 121.223 0.183 0.000 2.189 210 L HA -0.213 4.127 4.340 0.000 0.000 0.214 210 L C 2.805 179.744 176.870 0.114 0.000 1.097 210 L CA 1.771 56.691 54.840 0.133 0.000 0.764 210 L CB -1.023 41.093 42.059 0.095 0.000 0.900 210 L HN 0.354 nan 8.230 nan 0.000 0.436 211 R N -2.513 118.049 120.500 0.104 0.000 2.189 211 R HA -0.169 4.171 4.340 0.000 0.000 0.218 211 R C 1.708 177.963 176.300 -0.075 0.000 1.074 211 R CA 0.866 56.946 56.100 -0.032 0.000 0.991 211 R CB -0.456 29.759 30.300 -0.142 0.000 0.883 211 R HN 0.412 nan 8.270 nan 0.000 0.457 212 W N 0.275 121.605 121.300 0.050 0.000 3.345 212 W HA 0.146 4.807 4.660 0.000 0.000 0.282 212 W C 1.078 177.616 176.519 0.030 0.000 1.302 212 W CA 0.626 57.996 57.345 0.041 0.000 1.724 212 W CB 0.620 30.116 29.460 0.060 0.000 1.104 212 W HN 0.390 nan 8.180 nan 0.000 0.694 213 G N 0.257 109.204 108.800 0.246 0.000 2.284 213 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 213 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 213 G C -0.131 174.866 174.900 0.161 0.000 1.009 213 G CA -0.076 45.133 45.100 0.181 0.000 0.625 213 G HN 0.149 nan 8.290 nan 0.000 0.501 214 L N 0.763 122.090 121.223 0.175 0.000 2.296 214 L HA 0.891 5.231 4.340 0.000 0.000 0.286 214 L C 0.206 177.152 176.870 0.127 0.000 1.023 214 L CA -0.831 54.098 54.840 0.148 0.000 0.812 214 L CB 1.471 43.615 42.059 0.142 0.000 1.223 214 L HN 0.016 nan 8.230 nan 0.000 0.421 215 T N 1.056 115.677 114.554 0.113 0.000 2.899 215 T HA 0.599 4.949 4.350 0.000 0.000 0.284 215 T C 0.109 174.861 174.700 0.088 0.000 1.004 215 T CA -0.449 61.706 62.100 0.092 0.000 1.043 215 T CB 1.103 70.016 68.868 0.076 0.000 1.013 215 T HN 0.773 nan 8.240 nan 0.000 0.518 216 T N 1.460 116.058 114.554 0.073 0.000 3.318 216 T HA 0.279 4.629 4.350 0.000 0.000 0.304 216 T C -2.359 172.376 174.700 0.058 0.000 1.051 216 T CA -0.915 61.225 62.100 0.066 0.000 1.546 216 T CB 0.936 69.838 68.868 0.056 0.000 0.875 216 T HN 0.258 nan 8.240 nan 0.000 0.578 217 P HA -0.172 nan 4.420 nan 0.000 0.222 217 P C 1.304 178.635 177.300 0.052 0.000 1.139 217 P CA 0.925 64.055 63.100 0.050 0.000 0.790 217 P CB 0.054 31.780 31.700 0.044 0.000 0.757 218 D N -0.376 120.056 120.400 0.053 0.000 2.360 218 D HA -0.277 4.363 4.640 0.000 0.000 0.192 218 D C 1.166 177.504 176.300 0.063 0.000 1.025 218 D CA 2.564 56.596 54.000 0.054 0.000 0.903 218 D CB -0.341 40.486 40.800 0.045 0.000 0.900 218 D HN 0.326 nan 8.370 nan 0.000 0.452 219 K N -1.563 118.878 120.400 0.067 0.000 1.410 219 K HA -0.092 4.228 4.320 0.000 0.000 0.826 219 K C 0.541 177.205 176.600 0.107 0.000 2.096 219 K CA 1.604 57.938 56.287 0.078 0.000 1.397 219 K CB -1.986 30.560 32.500 0.076 0.000 2.634 219 K HN 0.674 nan 8.250 nan 0.000 0.232 220 K N 1.995 122.466 120.400 0.118 0.000 1.870 220 K HA 0.117 4.437 4.320 0.000 0.000 0.206 220 K C 1.342 178.116 176.600 0.291 0.000 1.089 220 K CA 2.310 58.686 56.287 0.150 0.000 1.391 220 K CB -2.052 30.514 32.500 0.110 0.000 0.946 220 K HN 2.732 nan 8.250 nan 0.000 0.271 221 H N -2.644 116.461 119.070 0.058 0.000 4.515 221 H HA -0.370 4.186 4.556 0.000 0.000 0.114 221 H C 0.743 176.113 175.328 0.071 0.000 0.658 221 H CA 3.284 59.371 56.048 0.065 0.000 1.231 221 H CB -1.838 27.975 29.762 0.085 0.000 0.647 221 H HN 2.425 nan 8.280 nan 0.000 0.590 222 Q N 0.289 120.118 119.800 0.049 0.000 0.884 222 Q HA -0.198 4.142 4.340 0.000 0.000 0.281 222 Q C 0.038 175.937 176.000 -0.170 0.000 1.061 222 Q CA 2.357 58.136 55.803 -0.039 0.000 0.612 222 Q CB -1.861 26.857 28.738 -0.034 0.000 4.716 222 Q HN 1.021 nan 8.270 nan 0.000 0.383 223 K N 1.794 122.147 120.400 -0.079 0.000 2.326 223 K HA 0.595 4.915 4.320 0.000 0.000 0.275 223 K C 0.678 177.246 176.600 -0.053 0.000 1.018 223 K CA 0.608 56.903 56.287 0.013 0.000 0.962 223 K CB 1.024 33.626 32.500 0.170 0.000 0.953 223 K HN 1.113 nan 8.250 nan 0.000 0.475 224 E N 2.502 122.753 120.200 0.085 0.000 2.450 224 E HA 0.296 4.646 4.350 0.000 0.000 0.248 224 E C -1.955 174.778 176.600 0.221 0.000 0.930 224 E CA -1.570 54.902 56.400 0.119 0.000 0.854 224 E CB -0.875 28.952 29.700 0.213 0.000 1.355 224 E HN 0.445 nan 8.360 nan 0.000 0.402 225 P HA -0.206 nan 4.420 nan 0.000 0.239 225 P C -1.821 175.685 177.300 0.344 0.000 1.080 225 P CA 2.100 65.344 63.100 0.239 0.000 1.012 225 P CB -1.183 30.633 31.700 0.193 0.000 0.725 226 P HA 0.125 nan 4.420 nan 0.000 0.260 226 P C -0.651 176.813 177.300 0.274 0.000 1.651 226 P CA 0.188 63.475 63.100 0.313 0.000 1.139 226 P CB -0.755 31.075 31.700 0.217 0.000 1.756 227 F N 3.506 123.527 119.950 0.118 0.000 2.371 227 F HA 0.225 4.753 4.527 0.000 0.000 0.363 227 F C 1.262 177.177 175.800 0.192 0.000 1.122 227 F CA -0.841 57.241 58.000 0.136 0.000 1.129 227 F CB 0.867 39.934 39.000 0.113 0.000 1.173 227 F HN 0.145 nan 8.300 nan 0.000 0.489 228 L N 4.628 125.699 121.223 -0.253 0.000 2.919 228 L HA 0.177 4.518 4.340 0.000 0.000 0.242 228 L C -0.121 176.816 176.870 0.111 0.000 1.366 228 L CA -0.343 54.463 54.840 -0.058 0.000 1.212 228 L CB -0.464 41.505 42.059 -0.150 0.000 1.604 228 L HN 0.651 nan 8.230 nan 0.000 0.433 229 W N 4.295 125.669 121.300 0.124 0.000 2.529 229 W HA 0.173 4.834 4.660 0.000 0.000 0.319 229 W C 0.050 176.700 176.519 0.218 0.000 1.362 229 W CA -1.056 56.421 57.345 0.220 0.000 1.348 229 W CB 0.615 30.230 29.460 0.257 0.000 1.403 229 W HN 0.337 nan 8.180 nan 0.000 0.519 230 M N 6.513 125.961 119.600 -0.252 0.000 2.217 230 M HA -0.271 4.209 4.480 0.000 0.000 0.187 230 M C 1.227 177.451 176.300 -0.126 0.000 0.642 230 M CA 1.965 56.996 55.300 -0.449 0.000 0.450 230 M CB -2.177 29.794 32.600 -1.049 0.000 1.039 230 M HN 0.987 nan 8.290 nan 0.000 0.916 231 G N -0.979 107.809 108.800 -0.020 0.000 3.078 231 G HA2 -0.366 3.595 3.960 0.000 0.000 0.227 231 G HA3 -0.366 3.595 3.960 0.000 0.000 0.227 231 G C 0.088 175.118 174.900 0.217 0.000 1.306 231 G CA 0.332 45.450 45.100 0.030 0.000 0.841 231 G HN 0.605 nan 8.290 nan 0.000 0.530 232 Y N 2.426 122.836 120.300 0.184 0.000 2.986 232 Y HA 0.333 4.883 4.550 0.000 0.000 0.342 232 Y C 1.103 177.158 175.900 0.258 0.000 1.275 232 Y CA 1.267 59.552 58.100 0.308 0.000 1.527 232 Y CB 0.199 38.843 38.460 0.307 0.000 1.296 232 Y HN 0.822 nan 8.280 nan 0.000 0.628 233 E N 4.026 124.464 120.200 0.397 0.000 2.145 233 E HA 0.674 5.024 4.350 0.000 0.000 0.270 233 E C -1.503 175.164 176.600 0.110 0.000 0.906 233 E CA -0.811 55.714 56.400 0.207 0.000 0.761 233 E CB 0.845 30.633 29.700 0.147 0.000 1.116 233 E HN 0.602 nan 8.360 nan 0.000 0.408 234 L N 1.814 123.061 121.223 0.039 0.000 2.370 234 L HA 0.734 5.074 4.340 0.000 0.000 0.266 234 L C -0.405 176.374 176.870 -0.152 0.000 1.002 234 L CA -0.957 53.903 54.840 0.033 0.000 0.818 234 L CB 2.355 44.612 42.059 0.330 0.000 1.325 234 L HN 0.756 nan 8.230 nan 0.000 0.418 235 H N 0.785 120.061 119.070 0.342 0.000 2.717 235 H HA 0.308 4.864 4.556 0.000 0.000 0.366 235 H C -1.963 173.543 175.328 0.298 0.000 1.132 235 H CA -1.786 54.413 56.048 0.251 0.000 1.180 235 H CB 1.634 31.496 29.762 0.166 0.000 1.678 235 H HN 0.348 nan 8.280 nan 0.000 0.537 236 P HA -0.255 nan 4.420 nan 0.000 0.220 236 P C 0.275 177.770 177.300 0.327 0.000 1.144 236 P CA 1.745 64.988 63.100 0.238 0.000 0.808 236 P CB 0.341 32.123 31.700 0.136 0.000 0.763 237 D N -2.389 118.229 120.400 0.365 0.000 2.490 237 D HA 0.054 4.694 4.640 0.000 0.000 0.246 237 D C 0.400 176.717 176.300 0.028 0.000 1.196 237 D CA 0.074 54.269 54.000 0.324 0.000 0.812 237 D CB 0.312 41.216 40.800 0.173 0.000 1.191 237 D HN 0.295 nan 8.370 nan 0.000 0.531 238 K N -0.391 120.021 120.400 0.020 0.000 2.536 238 K HA 0.574 4.894 4.320 0.000 0.000 0.269 238 K C -1.040 175.587 176.600 0.045 0.000 0.965 238 K CA -1.039 55.129 56.287 -0.199 0.000 0.860 238 K CB 2.093 34.591 32.500 -0.003 0.000 1.423 238 K HN 0.060 nan 8.250 nan 0.000 0.438 239 W N 0.413 121.612 121.300 -0.168 0.000 2.967 239 W HA 0.833 5.493 4.660 0.000 0.000 0.342 239 W C -1.280 175.282 176.519 0.072 0.000 1.162 239 W CA -0.946 56.414 57.345 0.025 0.000 1.085 239 W CB 0.939 30.501 29.460 0.170 0.000 1.460 239 W HN 0.776 nan 8.180 nan 0.000 0.584 240 T N -0.162 114.453 114.554 0.101 0.000 2.677 240 T HA 0.270 4.620 4.350 0.000 0.000 0.268 240 T C -1.238 173.581 174.700 0.200 0.000 2.083 240 T CA -0.548 61.483 62.100 -0.114 0.000 0.938 240 T CB 0.830 69.573 68.868 -0.208 0.000 2.230 240 T HN 0.424 nan 8.240 nan 0.000 0.408 241 V N 0.509 120.497 119.914 0.122 0.000 2.960 241 V HA 0.706 4.827 4.120 0.000 0.000 0.315 241 V C 0.325 176.535 176.094 0.192 0.000 1.087 241 V CA -0.568 61.853 62.300 0.201 0.000 0.982 241 V CB 1.975 33.927 31.823 0.215 0.000 1.039 241 V HN 0.895 nan 8.190 nan 0.000 0.437 242 Q N 1.252 121.166 119.800 0.191 0.000 2.362 242 Q HA 0.390 4.731 4.340 0.000 0.000 0.190 242 Q C -2.187 173.894 176.000 0.134 0.000 0.763 242 Q CA -0.258 55.641 55.803 0.159 0.000 0.681 242 Q CB 0.039 28.865 28.738 0.147 0.000 2.020 242 Q HN 0.629 nan 8.270 nan 0.000 0.483 243 P HA 0.016 nan 4.420 nan 0.000 0.252 243 P C -1.117 176.234 177.300 0.084 0.000 1.183 243 P CA 1.155 64.300 63.100 0.076 0.000 0.973 243 P CB -0.097 31.634 31.700 0.051 0.000 0.990 244 I N 3.858 124.477 120.570 0.082 0.000 2.917 244 I HA 0.063 4.234 4.170 0.000 0.000 0.292 244 I C 0.040 176.177 176.117 0.033 0.000 1.510 244 I CA -0.758 60.589 61.300 0.078 0.000 0.858 244 I CB 0.855 38.926 38.000 0.119 0.000 1.862 244 I HN -0.044 nan 8.210 nan 0.000 0.615 245 V N 4.964 124.895 119.914 0.029 0.000 2.224 245 V HA 0.307 4.428 4.120 0.000 0.000 0.289 245 V C 0.524 176.629 176.094 0.018 0.000 1.518 245 V CA -0.653 61.657 62.300 0.016 0.000 1.533 245 V CB -0.145 31.686 31.823 0.012 0.000 1.460 245 V HN 0.493 nan 8.190 nan 0.000 0.515 246 L N 1.275 122.512 121.223 0.024 0.000 2.562 246 L HA 0.503 4.843 4.340 0.000 0.000 0.271 246 L C -2.139 174.762 176.870 0.052 0.000 1.167 246 L CA -0.747 54.124 54.840 0.051 0.000 0.917 246 L CB -0.431 41.660 42.059 0.054 0.000 1.187 246 L HN 0.258 nan 8.230 nan 0.000 0.482 247 P HA 0.482 nan 4.420 nan 0.000 0.346 247 P C -1.269 176.030 177.300 -0.002 0.000 1.306 247 P CA -0.589 62.508 63.100 -0.005 0.000 0.778 247 P CB 0.508 32.170 31.700 -0.063 0.000 1.710 248 Q N -1.502 118.182 119.800 -0.193 0.000 2.522 248 Q HA 0.465 4.805 4.340 0.000 0.000 0.285 248 Q C -1.508 174.068 176.000 -0.706 0.000 0.982 248 Q CA -0.758 54.785 55.803 -0.434 0.000 0.805 248 Q CB 1.398 30.110 28.738 -0.043 0.000 1.457 248 Q HN -0.032 nan 8.270 nan 0.000 0.394 249 K N 0.350 120.039 120.400 -1.185 0.000 2.197 249 K HA 0.314 4.634 4.320 0.000 0.000 0.247 249 K C -0.747 175.548 176.600 -0.507 0.000 1.077 249 K CA -0.100 55.666 56.287 -0.868 0.000 0.882 249 K CB 0.928 32.766 32.500 -1.104 0.000 1.396 249 K HN 0.888 nan 8.250 nan 0.000 0.482 250 D N -1.377 118.838 120.400 -0.308 0.000 2.469 250 D HA 0.019 4.659 4.640 0.000 0.000 0.213 250 D C -0.516 175.777 176.300 -0.013 0.000 1.135 250 D CA -0.055 53.888 54.000 -0.095 0.000 0.834 250 D CB 0.453 41.211 40.800 -0.070 0.000 1.009 250 D HN 0.294 nan 8.370 nan 0.000 0.507 251 S N -0.227 115.447 115.700 -0.043 0.000 2.465 251 S HA 0.360 4.830 4.470 0.000 0.000 0.186 251 S C -1.413 173.283 174.600 0.161 0.000 0.839 251 S CA -0.980 57.282 58.200 0.103 0.000 1.037 251 S CB -1.156 62.071 63.200 0.045 0.000 1.407 251 S HN 0.153 nan 8.310 nan 0.000 0.396 252 W N 2.144 123.440 121.300 -0.007 0.000 2.436 252 W HA 0.782 5.442 4.660 0.000 0.000 0.347 252 W C 0.676 177.191 176.519 -0.006 0.000 1.136 252 W CA -0.579 56.762 57.345 -0.007 0.000 1.286 252 W CB 0.186 29.641 29.460 -0.008 0.000 1.253 252 W HN 0.612 nan 8.180 nan 0.000 0.617 253 T N -2.994 111.710 114.554 0.250 0.000 2.950 253 T HA 0.385 4.735 4.350 0.000 0.000 0.288 253 T C 0.641 175.396 174.700 0.091 0.000 1.035 253 T CA -0.787 61.386 62.100 0.122 0.000 1.028 253 T CB 1.334 70.252 68.868 0.084 0.000 1.109 253 T HN 0.258 nan 8.240 nan 0.000 0.514 254 V N 1.765 121.700 119.914 0.035 0.000 2.453 254 V HA -0.251 3.870 4.120 0.000 0.000 0.252 254 V C 2.878 178.986 176.094 0.024 0.000 1.068 254 V CA 2.198 64.500 62.300 0.004 0.000 1.070 254 V CB -1.460 30.361 31.823 -0.004 0.000 0.664 254 V HN 1.040 nan 8.190 nan 0.000 0.461 255 N N 1.705 120.431 118.700 0.043 0.000 2.023 255 N HA -0.307 4.433 4.740 0.000 0.000 0.200 255 N C 1.451 176.999 175.510 0.063 0.000 1.048 255 N CA 2.830 55.907 53.050 0.045 0.000 0.872 255 N CB -0.302 38.213 38.487 0.047 0.000 1.070 255 N HN 0.659 nan 8.380 nan 0.000 0.441 256 D N 0.338 120.805 120.400 0.112 0.000 2.178 256 D HA -0.028 4.612 4.640 0.000 0.000 0.202 256 D C 2.062 178.464 176.300 0.170 0.000 0.974 256 D CA 0.915 55.014 54.000 0.165 0.000 0.841 256 D CB -0.082 40.868 40.800 0.251 0.000 0.953 256 D HN 0.448 nan 8.370 nan 0.000 0.478 257 I N 0.575 121.203 120.570 0.097 0.000 2.226 257 I HA -0.303 3.868 4.170 0.000 0.000 0.245 257 I C 2.469 178.566 176.117 -0.033 0.000 1.100 257 I CA 0.922 62.189 61.300 -0.055 0.000 1.374 257 I CB -0.342 37.561 38.000 -0.163 0.000 1.057 257 I HN -0.015 nan 8.210 nan 0.000 0.413 258 Q N 2.162 121.957 119.800 -0.007 0.000 2.062 258 Q HA -0.270 4.071 4.340 0.000 0.000 0.209 258 Q C 1.949 177.954 176.000 0.009 0.000 0.996 258 Q CA 2.075 57.875 55.803 -0.005 0.000 0.859 258 Q CB -0.333 28.407 28.738 0.003 0.000 0.920 258 Q HN 0.372 nan 8.270 nan 0.000 0.415 259 K N -0.167 120.251 120.400 0.029 0.000 2.020 259 K HA -0.192 4.128 4.320 0.000 0.000 0.212 259 K C 2.183 178.812 176.600 0.048 0.000 1.050 259 K CA 1.621 57.931 56.287 0.039 0.000 0.929 259 K CB -0.624 31.909 32.500 0.056 0.000 0.714 259 K HN 0.312 nan 8.250 nan 0.000 0.443 260 L N 1.130 122.393 121.223 0.066 0.000 2.043 260 L HA -0.209 4.131 4.340 0.000 0.000 0.212 260 L C 1.994 178.872 176.870 0.014 0.000 1.075 260 L CA 1.527 56.403 54.840 0.060 0.000 0.752 260 L CB -0.209 41.869 42.059 0.032 0.000 0.891 260 L HN -0.039 nan 8.230 nan 0.000 0.432 261 V N 0.132 120.040 119.914 -0.011 0.000 2.427 261 V HA -0.148 3.973 4.120 0.000 0.000 0.248 261 V C 2.613 178.718 176.094 0.019 0.000 1.051 261 V CA 1.591 63.883 62.300 -0.015 0.000 1.048 261 V CB -1.689 30.116 31.823 -0.029 0.000 0.666 261 V HN 0.643 nan 8.190 nan 0.000 0.456 262 G N -0.240 108.578 108.800 0.031 0.000 2.484 262 G HA2 -0.221 3.739 3.960 0.000 0.000 0.215 262 G HA3 -0.221 3.739 3.960 0.000 0.000 0.215 262 G C 1.623 176.587 174.900 0.106 0.000 1.219 262 G CA 0.821 45.955 45.100 0.058 0.000 0.791 262 G HN 0.387 nan 8.290 nan 0.000 0.550 263 K N -0.000 120.457 120.400 0.095 0.000 2.032 263 K HA -0.157 4.163 4.320 0.000 0.000 0.218 263 K C 2.607 179.276 176.600 0.116 0.000 1.054 263 K CA 1.639 58.004 56.287 0.130 0.000 0.941 263 K CB -0.620 31.928 32.500 0.080 0.000 0.720 263 K HN 0.301 nan 8.250 nan 0.000 0.449 264 L N 0.620 121.874 121.223 0.051 0.000 2.051 264 L HA -0.290 4.050 4.340 0.000 0.000 0.214 264 L C 2.094 178.979 176.870 0.025 0.000 1.076 264 L CA 1.689 56.536 54.840 0.010 0.000 0.758 264 L CB -0.667 41.387 42.059 -0.008 0.000 0.890 264 L HN 0.328 nan 8.230 nan 0.000 0.433 265 N N -1.013 117.726 118.700 0.065 0.000 2.062 265 N HA -0.243 4.497 4.740 0.000 0.000 0.191 265 N C 1.725 177.298 175.510 0.104 0.000 1.042 265 N CA 1.373 54.469 53.050 0.076 0.000 0.845 265 N CB -0.251 38.298 38.487 0.103 0.000 1.024 265 N HN 0.385 nan 8.380 nan 0.000 0.424 266 W N 1.935 123.232 121.300 -0.005 0.000 2.302 266 W HA -0.290 4.370 4.660 0.000 0.000 0.320 266 W C 1.892 178.425 176.519 0.024 0.000 1.241 266 W CA 1.623 58.963 57.345 -0.007 0.000 1.264 266 W CB -0.291 29.150 29.460 -0.031 0.000 1.154 266 W HN 0.102 nan 8.180 nan 0.000 0.483 267 A N 0.108 122.862 122.820 -0.109 0.000 2.225 267 A HA -0.117 4.204 4.320 0.000 0.000 0.215 267 A C 1.725 179.286 177.584 -0.037 0.000 1.164 267 A CA 1.634 53.601 52.037 -0.116 0.000 0.710 267 A CB -0.808 18.124 19.000 -0.113 0.000 0.780 267 A HN 0.275 nan 8.150 nan 0.000 0.473 268 S N -0.204 115.446 115.700 -0.084 0.000 2.603 268 S HA -0.050 4.420 4.470 0.000 0.000 0.220 268 S C 1.602 176.182 174.600 -0.035 0.000 0.967 268 S CA 0.626 58.803 58.200 -0.038 0.000 0.920 268 S CB -0.046 63.132 63.200 -0.036 0.000 0.773 268 S HN 0.768 nan 8.310 nan 0.000 0.529 269 Q N 0.445 120.192 119.800 -0.088 0.000 2.096 269 Q HA 0.025 4.365 4.340 0.000 0.000 0.197 269 Q C 1.572 177.666 176.000 0.158 0.000 0.964 269 Q CA 1.132 56.965 55.803 0.051 0.000 0.838 269 Q CB -0.242 28.518 28.738 0.036 0.000 0.906 269 Q HN 0.591 nan 8.270 nan 0.000 0.444 270 I N -1.745 118.834 120.570 0.013 0.000 3.025 270 I HA -0.059 4.111 4.170 0.000 0.000 0.236 270 I C 0.258 176.272 176.117 -0.172 0.000 1.063 270 I CA -0.012 61.183 61.300 -0.174 0.000 1.476 270 I CB -0.769 36.934 38.000 -0.495 0.000 1.331 270 I HN -0.083 nan 8.210 nan 0.000 0.457 271 Y N 3.806 124.023 120.300 -0.138 0.000 2.849 271 Y HA 0.071 4.621 4.550 0.000 0.000 0.362 271 Y C -2.080 173.778 175.900 -0.071 0.000 1.320 271 Y CA -1.751 56.284 58.100 -0.108 0.000 1.678 271 Y CB -1.308 37.097 38.460 -0.091 0.000 1.220 271 Y HN 0.052 nan 8.280 nan 0.000 0.518 272 P HA 0.148 nan 4.420 nan 0.000 0.267 272 P C 0.225 177.553 177.300 0.048 0.000 1.209 272 P CA 0.597 63.716 63.100 0.032 0.000 0.763 272 P CB 0.712 32.417 31.700 0.009 0.000 0.816 273 G N 3.278 112.096 108.800 0.030 0.000 2.898 273 G HA2 -0.122 3.838 3.960 0.000 0.000 0.267 273 G HA3 -0.122 3.838 3.960 0.000 0.000 0.267 273 G C -0.560 174.346 174.900 0.010 0.000 1.061 273 G CA -0.707 44.403 45.100 0.016 0.000 1.230 273 G HN 0.451 nan 8.290 nan 0.000 0.569 274 I N 0.496 121.063 120.570 -0.005 0.000 2.894 274 I HA 0.647 4.817 4.170 0.000 0.000 0.302 274 I C -0.103 175.998 176.117 -0.028 0.000 1.188 274 I CA -1.104 60.185 61.300 -0.019 0.000 1.014 274 I CB 2.713 40.701 38.000 -0.020 0.000 1.242 274 I HN 0.471 nan 8.210 nan 0.000 0.430 275 K N 2.796 123.176 120.400 -0.032 0.000 2.532 275 K HA 0.625 4.945 4.320 0.000 0.000 0.265 275 K C -0.872 175.706 176.600 -0.037 0.000 0.948 275 K CA -0.743 55.523 56.287 -0.035 0.000 0.842 275 K CB 2.677 35.154 32.500 -0.039 0.000 1.392 275 K HN 0.240 nan 8.250 nan 0.000 0.436 276 V N -0.046 119.846 119.914 -0.037 0.000 3.572 276 V HA -0.009 4.111 4.120 0.000 0.000 0.260 276 V C 2.289 178.354 176.094 -0.048 0.000 1.324 276 V CA 1.221 63.498 62.300 -0.039 0.000 1.068 276 V CB -0.151 31.655 31.823 -0.027 0.000 0.837 276 V HN 0.955 nan 8.190 nan 0.000 0.450 277 R N 1.381 121.853 120.500 -0.046 0.000 2.442 277 R HA -0.439 3.901 4.340 0.000 0.000 0.192 277 R C 1.951 178.217 176.300 -0.056 0.000 0.989 277 R CA 3.252 59.322 56.100 -0.051 0.000 0.362 277 R CB -2.073 28.196 30.300 -0.052 0.000 0.682 277 R HN 0.691 nan 8.270 nan 0.000 0.252 278 Q N 0.474 120.239 119.800 -0.059 0.000 2.197 278 Q HA -0.067 4.273 4.340 0.000 0.000 0.207 278 Q C 2.535 178.487 176.000 -0.079 0.000 0.984 278 Q CA 1.751 57.516 55.803 -0.064 0.000 0.869 278 Q CB -0.253 28.449 28.738 -0.060 0.000 0.906 278 Q HN 0.692 nan 8.270 nan 0.000 0.426 279 L N 0.582 121.753 121.223 -0.087 0.000 2.201 279 L HA -0.137 4.203 4.340 0.000 0.000 0.212 279 L C 2.441 179.246 176.870 -0.109 0.000 1.105 279 L CA 1.400 56.169 54.840 -0.119 0.000 0.775 279 L CB -0.277 41.709 42.059 -0.123 0.000 0.913 279 L HN 0.222 nan 8.230 nan 0.000 0.440 280 S N -1.520 114.133 115.700 -0.079 0.000 2.483 280 S HA -0.040 4.430 4.470 0.000 0.000 0.221 280 S C 1.906 176.472 174.600 -0.057 0.000 1.030 280 S CA -0.076 58.086 58.200 -0.064 0.000 0.925 280 S CB -0.102 63.071 63.200 -0.046 0.000 0.795 280 S HN 0.263 nan 8.310 nan 0.000 0.511 281 K N 1.798 122.164 120.400 -0.057 0.000 2.044 281 K HA -0.141 4.179 4.320 0.000 0.000 0.210 281 K C 2.180 178.750 176.600 -0.050 0.000 1.049 281 K CA 1.899 58.155 56.287 -0.050 0.000 0.927 281 K CB -0.627 31.842 32.500 -0.052 0.000 0.713 281 K HN 0.591 nan 8.250 nan 0.000 0.443 282 L N -0.494 120.692 121.223 -0.062 0.000 2.275 282 L HA -0.027 4.314 4.340 0.000 0.000 0.215 282 L C 2.069 178.903 176.870 -0.060 0.000 1.119 282 L CA 0.902 55.705 54.840 -0.063 0.000 0.790 282 L CB -0.474 41.536 42.059 -0.082 0.000 0.919 282 L HN 0.034 nan 8.230 nan 0.000 0.443 283 L N 0.950 122.136 121.223 -0.062 0.000 2.127 283 L HA -0.168 4.172 4.340 0.000 0.000 0.211 283 L C 3.176 180.025 176.870 -0.035 0.000 1.089 283 L CA 2.281 57.090 54.840 -0.053 0.000 0.757 283 L CB -0.910 41.119 42.059 -0.050 0.000 0.899 283 L HN 0.460 nan 8.230 nan 0.000 0.434 284 R N 0.147 120.629 120.500 -0.030 0.000 2.270 284 R HA -0.243 4.098 4.340 0.000 0.000 0.260 284 R C 1.683 177.974 176.300 -0.014 0.000 1.127 284 R CA 1.782 57.870 56.100 -0.020 0.000 0.969 284 R CB -2.767 27.521 30.300 -0.019 0.000 0.918 284 R HN 0.605 nan 8.270 nan 0.000 0.455 285 G N 0.040 108.831 108.800 -0.015 0.000 2.852 285 G HA2 0.418 4.378 3.960 0.000 0.000 0.280 285 G HA3 0.418 4.378 3.960 0.000 0.000 0.280 285 G C 0.911 175.806 174.900 -0.008 0.000 0.731 285 G CA 0.473 45.567 45.100 -0.010 0.000 2.037 285 G HN 1.023 nan 8.290 nan 0.000 0.560 286 T N 0.001 114.551 114.554 -0.006 0.000 4.036 286 T HA 0.449 4.799 4.350 0.000 0.000 0.251 286 T C 1.285 175.985 174.700 -0.000 0.000 0.981 286 T CA 1.066 63.164 62.100 -0.004 0.000 0.945 286 T CB -0.748 68.119 68.868 -0.002 0.000 1.186 286 T HN 0.832 nan 8.240 nan 0.000 0.658 287 K N 0.403 120.803 120.400 -0.000 0.000 2.332 287 K HA 0.862 5.182 4.320 0.000 0.000 0.246 287 K C 0.981 177.584 176.600 0.004 0.000 1.066 287 K CA 0.022 56.310 56.287 0.003 0.000 0.898 287 K CB -0.572 31.930 32.500 0.004 0.000 1.192 287 K HN 1.020 nan 8.250 nan 0.000 0.509 288 A N -1.470 121.354 122.820 0.006 0.000 2.409 288 A HA 0.490 4.810 4.320 0.000 0.000 0.246 288 A C 1.268 178.859 177.584 0.011 0.000 1.099 288 A CA 0.394 52.435 52.037 0.008 0.000 0.789 288 A CB -0.574 18.431 19.000 0.008 0.000 1.053 288 A HN 2.018 nan 8.150 nan 0.000 0.503 289 L N 0.863 122.093 121.223 0.012 0.000 2.821 289 L HA 0.447 4.787 4.340 0.000 0.000 0.239 289 L C 0.987 177.868 176.870 0.019 0.000 1.391 289 L CA 1.111 55.961 54.840 0.016 0.000 1.231 289 L CB -2.152 39.916 42.059 0.015 0.000 1.598 289 L HN 0.931 nan 8.230 nan 0.000 0.428 290 T N -2.727 111.838 114.554 0.019 0.000 3.154 290 T HA 0.189 4.539 4.350 0.000 0.000 0.258 290 T C 0.587 175.301 174.700 0.023 0.000 0.899 290 T CA 0.258 62.370 62.100 0.019 0.000 0.908 290 T CB 0.160 69.036 68.868 0.014 0.000 1.260 290 T HN 0.830 nan 8.240 nan 0.000 0.521 291 E N 2.478 122.691 120.200 0.020 0.000 2.338 291 E HA 0.624 4.975 4.350 0.000 0.000 0.272 291 E C 0.178 176.796 176.600 0.030 0.000 1.029 291 E CA -0.695 55.718 56.400 0.021 0.000 0.872 291 E CB 0.764 30.472 29.700 0.013 0.000 1.015 291 E HN 0.371 nan 8.360 nan 0.000 0.417 292 V N 2.101 122.036 119.914 0.035 0.000 3.463 292 V HA 0.828 4.948 4.120 0.000 0.000 0.302 292 V C 0.397 176.512 176.094 0.035 0.000 1.097 292 V CA -0.186 62.147 62.300 0.054 0.000 1.003 292 V CB 1.108 32.971 31.823 0.067 0.000 1.229 292 V HN 1.033 nan 8.190 nan 0.000 0.444 293 I N -0.555 120.040 120.570 0.042 0.000 2.785 293 I HA 0.696 4.866 4.170 0.000 0.000 0.293 293 I C -2.988 173.132 176.117 0.005 0.000 1.446 293 I CA -1.627 59.675 61.300 0.004 0.000 1.028 293 I CB 1.902 39.879 38.000 -0.037 0.000 1.349 293 I HN 0.673 nan 8.210 nan 0.000 0.438 294 P HA 0.454 nan 4.420 nan 0.000 0.273 294 P C -0.634 176.644 177.300 -0.037 0.000 1.319 294 P CA -0.044 63.058 63.100 0.002 0.000 0.885 294 P CB 0.806 32.507 31.700 0.001 0.000 1.015 295 L N 3.920 125.114 121.223 -0.048 0.000 2.530 295 L HA 0.056 4.396 4.340 0.000 0.000 0.273 295 L C 1.776 178.617 176.870 -0.048 0.000 1.141 295 L CA 0.432 55.204 54.840 -0.113 0.000 0.905 295 L CB 0.112 42.058 42.059 -0.188 0.000 1.202 295 L HN 0.459 nan 8.230 nan 0.000 0.473 296 T N 0.262 114.779 114.554 -0.062 0.000 2.680 296 T HA 0.142 4.493 4.350 0.000 0.000 0.314 296 T C 1.254 175.937 174.700 -0.029 0.000 1.045 296 T CA 0.304 62.381 62.100 -0.038 0.000 1.025 296 T CB 0.856 69.697 68.868 -0.045 0.000 1.000 296 T HN 0.687 nan 8.240 nan 0.000 0.535 297 E N -0.317 119.871 120.200 -0.020 0.000 2.371 297 E HA 0.027 4.377 4.350 0.000 0.000 0.194 297 E C 2.011 178.599 176.600 -0.021 0.000 1.012 297 E CA 0.662 57.054 56.400 -0.013 0.000 0.860 297 E CB -0.560 29.135 29.700 -0.008 0.000 0.811 297 E HN 0.753 nan 8.360 nan 0.000 0.502 298 E N -0.115 120.067 120.200 -0.030 0.000 2.076 298 E HA 0.052 4.402 4.350 0.000 0.000 0.190 298 E C 2.463 179.036 176.600 -0.044 0.000 0.979 298 E CA 1.128 57.506 56.400 -0.036 0.000 0.807 298 E CB -0.188 29.489 29.700 -0.039 0.000 0.761 298 E HN 0.516 nan 8.360 nan 0.000 0.454 299 A N 1.479 124.265 122.820 -0.057 0.000 1.858 299 A HA -0.182 4.138 4.320 0.000 0.000 0.216 299 A C 2.107 179.653 177.584 -0.063 0.000 1.190 299 A CA 1.516 53.506 52.037 -0.078 0.000 0.617 299 A CB -0.486 18.445 19.000 -0.117 0.000 0.827 299 A HN 0.175 nan 8.150 nan 0.000 0.443 300 E N -0.053 120.122 120.200 -0.043 0.000 2.268 300 E HA -0.133 4.217 4.350 0.000 0.000 0.195 300 E C 2.282 178.877 176.600 -0.008 0.000 0.995 300 E CA 1.110 57.504 56.400 -0.010 0.000 0.836 300 E CB -0.420 29.292 29.700 0.020 0.000 0.763 300 E HN 0.486 nan 8.360 nan 0.000 0.491 301 L N 0.874 122.087 121.223 -0.017 0.000 1.990 301 L HA -0.197 4.144 4.340 0.000 0.000 0.213 301 L C 2.348 179.207 176.870 -0.018 0.000 1.072 301 L CA 2.731 57.562 54.840 -0.016 0.000 0.755 301 L CB -1.423 40.623 42.059 -0.022 0.000 0.889 301 L HN 0.215 nan 8.230 nan 0.000 0.432 302 E N -0.933 119.250 120.200 -0.028 0.000 2.107 302 E HA -0.162 4.188 4.350 0.000 0.000 0.191 302 E C 2.185 178.768 176.600 -0.027 0.000 0.982 302 E CA 0.929 57.310 56.400 -0.032 0.000 0.809 302 E CB 0.004 29.679 29.700 -0.043 0.000 0.756 302 E HN 0.555 nan 8.360 nan 0.000 0.459 303 L N 0.697 121.905 121.223 -0.026 0.000 2.081 303 L HA -0.157 4.184 4.340 0.000 0.000 0.212 303 L C 1.971 178.845 176.870 0.008 0.000 1.080 303 L CA 2.264 57.099 54.840 -0.009 0.000 0.754 303 L CB -0.606 41.456 42.059 0.006 0.000 0.893 303 L HN 0.143 nan 8.230 nan 0.000 0.433 304 A N -1.163 121.661 122.820 0.006 0.000 1.887 304 A HA -0.096 4.225 4.320 0.000 0.000 0.212 304 A C 2.263 179.844 177.584 -0.005 0.000 1.198 304 A CA 0.860 52.901 52.037 0.007 0.000 0.628 304 A CB -0.568 18.439 19.000 0.011 0.000 0.847 304 A HN 0.504 nan 8.150 nan 0.000 0.449 305 E N 0.579 120.773 120.200 -0.010 0.000 2.118 305 E HA -0.236 4.115 4.350 0.000 0.000 0.195 305 E C 1.624 178.213 176.600 -0.018 0.000 0.992 305 E CA 1.766 58.159 56.400 -0.013 0.000 0.804 305 E CB -0.272 29.418 29.700 -0.016 0.000 0.741 305 E HN 0.761 nan 8.360 nan 0.000 0.458 306 N N -0.455 118.229 118.700 -0.025 0.000 2.270 306 N HA -0.065 4.676 4.740 0.000 0.000 0.181 306 N C 1.802 177.279 175.510 -0.056 0.000 1.016 306 N CA 0.506 53.532 53.050 -0.039 0.000 0.870 306 N CB 0.002 38.462 38.487 -0.045 0.000 0.979 306 N HN 0.032 nan 8.380 nan 0.000 0.431 307 R N 0.875 121.349 120.500 -0.042 0.000 2.152 307 R HA -0.146 4.194 4.340 0.000 0.000 0.232 307 R C 1.932 178.208 176.300 -0.040 0.000 1.117 307 R CA 1.011 57.082 56.100 -0.048 0.000 0.981 307 R CB 0.019 30.307 30.300 -0.020 0.000 0.870 307 R HN 0.285 nan 8.270 nan 0.000 0.451 308 E N 0.602 120.790 120.200 -0.020 0.000 2.038 308 E HA -0.207 4.143 4.350 0.000 0.000 0.195 308 E C 1.542 178.147 176.600 0.008 0.000 1.000 308 E CA 1.627 58.025 56.400 -0.004 0.000 0.803 308 E CB -0.060 29.641 29.700 0.002 0.000 0.750 308 E HN 0.194 nan 8.360 nan 0.000 0.448 309 I N 0.398 120.974 120.570 0.010 0.000 2.090 309 I HA -0.208 3.962 4.170 0.000 0.000 0.236 309 I C 2.209 178.366 176.117 0.066 0.000 1.064 309 I CA 0.693 62.030 61.300 0.061 0.000 1.324 309 I CB -0.635 37.413 38.000 0.079 0.000 1.044 309 I HN 0.232 nan 8.210 nan 0.000 0.399 310 L N 1.184 122.339 121.223 -0.114 0.000 2.450 310 L HA -0.215 4.126 4.340 0.000 0.000 0.225 310 L C 2.466 179.243 176.870 -0.155 0.000 1.145 310 L CA 2.127 56.719 54.840 -0.412 0.000 0.801 310 L CB -1.659 40.120 42.059 -0.467 0.000 0.924 310 L HN 0.346 nan 8.230 nan 0.000 0.447 311 K N 0.381 120.760 120.400 -0.035 0.000 2.031 311 K HA -0.051 4.270 4.320 0.000 0.000 0.205 311 K C 0.778 177.410 176.600 0.053 0.000 1.049 311 K CA 1.485 57.774 56.287 0.002 0.000 0.939 311 K CB -0.742 31.762 32.500 0.007 0.000 0.717 311 K HN 0.629 nan 8.250 nan 0.000 0.438 312 E N 1.315 121.570 120.200 0.091 0.000 2.141 312 E HA 0.318 4.669 4.350 0.000 0.000 0.259 312 E C -2.729 173.976 176.600 0.175 0.000 0.883 312 E CA -2.843 53.621 56.400 0.108 0.000 0.744 312 E CB 1.106 30.846 29.700 0.066 0.000 1.150 312 E HN 0.168 nan 8.360 nan 0.000 0.420 313 P HA -0.148 nan 4.420 nan 0.000 0.262 313 P C -0.514 176.720 177.300 -0.111 0.000 1.151 313 P CA 0.245 63.419 63.100 0.124 0.000 0.757 313 P CB 0.389 32.148 31.700 0.098 0.000 0.754 314 V N 4.276 123.885 119.914 -0.507 0.000 2.628 314 V HA 0.323 4.444 4.120 0.000 0.000 0.306 314 V C 0.742 176.415 176.094 -0.700 0.000 1.045 314 V CA -0.794 61.086 62.300 -0.700 0.000 0.905 314 V CB 1.423 32.758 31.823 -0.813 0.000 0.997 314 V HN 0.669 nan 8.190 nan 0.000 0.436 315 H N 1.599 120.463 119.070 -0.343 0.000 2.495 315 H HA 0.764 5.320 4.556 0.000 0.000 0.350 315 H C -0.061 174.960 175.328 -0.512 0.000 1.202 315 H CA -0.782 55.053 56.048 -0.355 0.000 1.322 315 H CB 1.984 31.615 29.762 -0.217 0.000 1.544 315 H HN 0.794 nan 8.280 nan 0.000 0.565 316 G N 0.811 109.238 108.800 -0.621 0.000 2.626 316 G HA2 0.400 4.360 3.960 0.000 0.000 0.304 316 G HA3 0.400 4.360 3.960 0.000 0.000 0.304 316 G C -0.596 174.061 174.900 -0.404 0.000 1.385 316 G CA -0.497 44.019 45.100 -0.973 0.000 0.957 316 G HN 0.583 nan 8.290 nan 0.000 0.504 317 V N 2.520 122.440 119.914 0.011 0.000 3.489 317 V HA 0.599 4.719 4.120 0.000 0.000 0.297 317 V C -0.395 175.818 176.094 0.199 0.000 1.071 317 V CA -0.418 61.915 62.300 0.055 0.000 1.074 317 V CB 1.099 32.996 31.823 0.124 0.000 1.188 317 V HN 0.556 nan 8.190 nan 0.000 0.458 318 Y N 0.538 121.043 120.300 0.342 0.000 2.568 318 Y HA 0.453 5.003 4.550 0.000 0.000 0.327 318 Y C -0.206 175.872 175.900 0.296 0.000 1.163 318 Y CA -1.085 57.192 58.100 0.294 0.000 1.219 318 Y CB 0.661 39.244 38.460 0.204 0.000 1.308 318 Y HN 0.590 nan 8.280 nan 0.000 0.503 319 Y N 1.792 122.297 120.300 0.342 0.000 2.309 319 Y HA 0.229 4.779 4.550 0.000 0.000 0.327 319 Y C -0.277 175.708 175.900 0.142 0.000 1.172 319 Y CA -1.284 56.947 58.100 0.217 0.000 1.280 319 Y CB 0.684 39.324 38.460 0.299 0.000 1.234 319 Y HN 0.534 nan 8.280 nan 0.000 0.512 320 D N 8.595 128.853 120.400 -0.238 0.000 2.408 320 D HA 0.232 4.873 4.640 0.000 0.000 0.261 320 D C -2.073 173.782 176.300 -0.742 0.000 1.190 320 D CA -1.795 51.969 54.000 -0.392 0.000 0.910 320 D CB 1.648 42.393 40.800 -0.092 0.000 1.097 320 D HN 0.315 nan 8.370 nan 0.000 0.522 321 P HA -0.233 nan 4.420 nan 0.000 0.220 321 P C 1.156 178.328 177.300 -0.213 0.000 1.144 321 P CA 1.100 63.800 63.100 -0.666 0.000 0.808 321 P CB 0.258 31.741 31.700 -0.363 0.000 0.763 322 S N -2.404 113.196 115.700 -0.166 0.000 2.460 322 S HA 0.156 4.627 4.470 0.000 0.000 0.226 322 S C 1.293 175.885 174.600 -0.013 0.000 1.057 322 S CA 0.164 58.330 58.200 -0.057 0.000 0.948 322 S CB -0.947 62.223 63.200 -0.050 0.000 0.822 322 S HN 0.189 nan 8.310 nan 0.000 0.512 323 K N 2.441 122.833 120.400 -0.014 0.000 2.319 323 K HA 0.227 4.548 4.320 0.000 0.000 0.265 323 K C -0.235 176.404 176.600 0.064 0.000 1.000 323 K CA -0.054 56.249 56.287 0.026 0.000 0.943 323 K CB -0.658 31.861 32.500 0.033 0.000 0.950 323 K HN 0.410 nan 8.250 nan 0.000 0.485 324 D N 0.956 121.376 120.400 0.034 0.000 2.478 324 D HA 0.035 4.675 4.640 0.000 0.000 0.234 324 D C -0.222 176.065 176.300 -0.022 0.000 1.154 324 D CA 0.296 54.301 54.000 0.009 0.000 0.874 324 D CB 0.637 41.437 40.800 -0.000 0.000 1.198 324 D HN 0.398 nan 8.370 nan 0.000 0.455 325 L N 4.056 125.211 121.223 -0.114 0.000 2.341 325 L HA 0.633 4.973 4.340 0.000 0.000 0.278 325 L C -0.607 176.056 176.870 -0.346 0.000 1.005 325 L CA -0.534 54.117 54.840 -0.314 0.000 0.818 325 L CB 1.559 43.344 42.059 -0.456 0.000 1.259 325 L HN 0.436 nan 8.230 nan 0.000 0.418 326 I N 3.461 123.758 120.570 -0.455 0.000 3.021 326 I HA 0.739 4.909 4.170 0.000 0.000 0.305 326 I C -1.907 173.688 176.117 -0.870 0.000 1.434 326 I CA -0.422 60.533 61.300 -0.574 0.000 0.969 326 I CB 2.447 40.252 38.000 -0.326 0.000 1.328 326 I HN 0.721 nan 8.210 nan 0.000 0.486 327 A N 3.101 125.366 122.820 -0.926 0.000 2.604 327 A HA 0.861 5.181 4.320 0.000 0.000 0.295 327 A C -1.199 176.112 177.584 -0.455 0.000 1.067 327 A CA 0.185 51.734 52.037 -0.813 0.000 0.683 327 A CB 1.687 20.302 19.000 -0.642 0.000 1.281 327 A HN 0.981 nan 8.150 nan 0.000 0.407 328 E N 0.436 120.509 120.200 -0.211 0.000 2.340 328 E HA 0.725 5.076 4.350 0.000 0.000 0.273 328 E C -1.437 175.253 176.600 0.150 0.000 0.891 328 E CA -0.578 55.853 56.400 0.052 0.000 0.757 328 E CB 1.571 31.295 29.700 0.039 0.000 1.231 328 E HN 0.939 nan 8.360 nan 0.000 0.439 329 I N 2.220 122.929 120.570 0.232 0.000 2.406 329 I HA 0.359 4.529 4.170 0.000 0.000 0.290 329 I C -0.213 176.075 176.117 0.285 0.000 0.999 329 I CA -0.981 60.497 61.300 0.296 0.000 1.124 329 I CB 1.970 40.183 38.000 0.355 0.000 1.289 329 I HN 0.425 nan 8.210 nan 0.000 0.441 330 Q N 5.347 125.282 119.800 0.226 0.000 2.226 330 Q HA 0.422 4.762 4.340 0.000 0.000 0.256 330 Q C -0.614 175.436 176.000 0.084 0.000 0.962 330 Q CA -0.820 55.055 55.803 0.119 0.000 0.887 330 Q CB 2.211 30.983 28.738 0.057 0.000 1.282 330 Q HN 0.468 nan 8.270 nan 0.000 0.449 331 K N 1.478 121.789 120.400 -0.149 0.000 2.213 331 K HA 0.138 4.458 4.320 0.000 0.000 0.270 331 K C 0.081 176.497 176.600 -0.306 0.000 1.002 331 K CA -0.125 55.866 56.287 -0.494 0.000 0.868 331 K CB 0.916 32.831 32.500 -0.976 0.000 1.093 331 K HN 0.525 nan 8.250 nan 0.000 0.454 332 Q N 2.658 122.309 119.800 -0.249 0.000 2.360 332 Q HA 0.156 4.496 4.340 0.000 0.000 0.202 332 Q C 0.050 175.948 176.000 -0.169 0.000 0.915 332 Q CA 0.706 56.419 55.803 -0.149 0.000 0.943 332 Q CB 0.266 28.957 28.738 -0.078 0.000 1.064 332 Q HN 1.012 nan 8.270 nan 0.000 0.511 333 G N -1.261 107.382 108.800 -0.262 0.000 2.758 333 G HA2 0.026 3.986 3.960 0.000 0.000 0.686 333 G HA3 0.026 3.986 3.960 0.000 0.000 0.686 333 G C -0.066 174.745 174.900 -0.149 0.000 1.389 333 G CA 0.066 45.045 45.100 -0.202 0.000 0.845 333 G HN 0.960 nan 8.290 nan 0.000 0.572 334 Q N -1.035 118.696 119.800 -0.115 0.000 2.487 334 Q HA 0.343 4.684 4.340 0.000 0.000 0.279 334 Q C 1.988 177.949 176.000 -0.065 0.000 1.228 334 Q CA 1.824 57.578 55.803 -0.081 0.000 0.873 334 Q CB -2.145 26.550 28.738 -0.071 0.000 1.260 334 Q HN 3.195 nan 8.270 nan 0.000 0.471 335 G N -4.056 104.711 108.800 -0.055 0.000 2.196 335 G HA2 0.207 4.167 3.960 0.000 0.000 0.268 335 G HA3 0.207 4.167 3.960 0.000 0.000 0.268 335 G C 0.552 175.530 174.900 0.130 0.000 0.975 335 G CA 1.633 46.765 45.100 0.053 0.000 0.648 335 G HN 2.534 nan 8.290 nan 0.000 0.538 336 Q N -1.128 118.671 119.800 -0.002 0.000 2.259 336 Q HA 0.636 4.976 4.340 0.000 0.000 0.249 336 Q C -0.340 175.675 176.000 0.025 0.000 0.914 336 Q CA 0.035 55.874 55.803 0.061 0.000 0.904 336 Q CB 0.847 29.567 28.738 -0.029 0.000 1.213 336 Q HN 0.813 nan 8.270 nan 0.000 0.428 337 W N -0.285 120.969 121.300 -0.076 0.000 2.975 337 W HA 0.732 5.392 4.660 0.000 0.000 0.342 337 W C -0.040 176.457 176.519 -0.037 0.000 1.168 337 W CA -0.574 56.761 57.345 -0.018 0.000 1.141 337 W CB 2.063 31.550 29.460 0.045 0.000 1.445 337 W HN 0.708 nan 8.180 nan 0.000 0.560 338 T N 1.542 116.240 114.554 0.240 0.000 2.886 338 T HA 0.606 4.956 4.350 0.000 0.000 0.292 338 T C -1.657 173.146 174.700 0.172 0.000 1.012 338 T CA -0.455 61.693 62.100 0.079 0.000 0.982 338 T CB 0.421 69.308 68.868 0.033 0.000 1.018 338 T HN 0.277 nan 8.240 nan 0.000 0.451 339 Y N 2.179 122.563 120.300 0.140 0.000 2.468 339 Y HA 0.866 5.416 4.550 0.000 0.000 0.342 339 Y C -0.896 175.039 175.900 0.058 0.000 1.021 339 Y CA -1.933 56.233 58.100 0.111 0.000 1.079 339 Y CB 1.076 39.610 38.460 0.123 0.000 1.226 339 Y HN 0.527 nan 8.280 nan 0.000 0.460 340 Q N 2.990 122.969 119.800 0.297 0.000 2.304 340 Q HA 0.653 4.994 4.340 0.000 0.000 0.270 340 Q C -1.490 174.453 176.000 -0.096 0.000 1.035 340 Q CA -0.469 55.432 55.803 0.163 0.000 0.781 340 Q CB 2.995 31.800 28.738 0.112 0.000 1.261 340 Q HN 0.765 nan 8.270 nan 0.000 0.444 341 I N 3.298 123.800 120.570 -0.114 0.000 2.354 341 I HA 0.567 4.738 4.170 0.000 0.000 0.292 341 I C -0.956 175.031 176.117 -0.215 0.000 0.989 341 I CA -1.123 59.967 61.300 -0.350 0.000 1.188 341 I CB 0.414 38.201 38.000 -0.356 0.000 1.342 341 I HN 0.538 nan 8.210 nan 0.000 0.457 342 Y N 3.286 123.454 120.300 -0.221 0.000 2.597 342 Y HA 0.527 5.077 4.550 0.000 0.000 0.340 342 Y C -0.234 175.558 175.900 -0.180 0.000 1.097 342 Y CA -1.351 56.652 58.100 -0.162 0.000 1.037 342 Y CB 0.952 39.349 38.460 -0.105 0.000 1.305 342 Y HN 0.522 nan 8.280 nan 0.000 0.463 343 Q N 0.759 120.664 119.800 0.175 0.000 2.389 343 Q HA 0.202 4.542 4.340 0.000 0.000 0.198 343 Q C -0.686 175.359 176.000 0.076 0.000 0.967 343 Q CA 0.263 56.126 55.803 0.100 0.000 0.863 343 Q CB 0.540 29.322 28.738 0.072 0.000 0.987 343 Q HN 0.805 nan 8.270 nan 0.000 0.557 344 E N 3.060 123.279 120.200 0.031 0.000 2.259 344 E HA 0.179 4.529 4.350 0.000 0.000 0.281 344 E C -2.417 174.101 176.600 -0.137 0.000 1.027 344 E CA -2.159 54.223 56.400 -0.031 0.000 0.838 344 E CB 0.739 30.439 29.700 -0.001 0.000 1.066 344 E HN 0.097 nan 8.360 nan 0.000 0.401 345 P HA -0.157 nan 4.420 nan 0.000 0.264 345 P C -0.022 177.212 177.300 -0.111 0.000 1.179 345 P CA 0.363 63.237 63.100 -0.377 0.000 0.763 345 P CB 0.285 31.856 31.700 -0.215 0.000 0.806 346 F N -1.351 118.405 119.950 -0.324 0.000 3.021 346 F HA -0.290 4.237 4.527 0.000 0.000 0.294 346 F C 1.033 176.797 175.800 -0.061 0.000 0.761 346 F CA 2.099 60.014 58.000 -0.142 0.000 1.102 346 F CB -2.008 36.931 39.000 -0.101 0.000 1.380 346 F HN 0.467 nan 8.300 nan 0.000 0.387 347 K N 0.753 121.208 120.400 0.092 0.000 2.299 347 K HA 0.590 4.910 4.320 0.000 0.000 0.268 347 K C -0.020 176.659 176.600 0.132 0.000 1.075 347 K CA -0.487 55.868 56.287 0.113 0.000 0.936 347 K CB 0.378 32.924 32.500 0.075 0.000 1.228 347 K HN 0.186 nan 8.250 nan 0.000 0.454 348 N N 2.642 121.424 118.700 0.136 0.000 2.405 348 N HA 0.127 4.868 4.740 0.000 0.000 0.260 348 N C 0.759 176.370 175.510 0.167 0.000 1.152 348 N CA -0.625 52.495 53.050 0.117 0.000 0.948 348 N CB 1.035 39.535 38.487 0.022 0.000 1.111 348 N HN 0.554 nan 8.380 nan 0.000 0.485 349 L N 3.002 124.354 121.223 0.214 0.000 2.056 349 L HA 0.330 4.671 4.340 0.000 0.000 0.202 349 L C 0.412 177.580 176.870 0.496 0.000 1.086 349 L CA 1.776 56.800 54.840 0.308 0.000 0.758 349 L CB -0.315 41.793 42.059 0.083 0.000 0.912 349 L HN 0.414 nan 8.230 nan 0.000 0.446 350 K N -0.948 119.658 120.400 0.342 0.000 2.568 350 K HA 0.476 4.796 4.320 0.000 0.000 0.273 350 K C -1.333 175.462 176.600 0.324 0.000 0.951 350 K CA -0.187 56.355 56.287 0.425 0.000 0.854 350 K CB 2.073 34.849 32.500 0.459 0.000 1.424 350 K HN 0.281 nan 8.250 nan 0.000 0.427 351 T N -1.561 113.216 114.554 0.373 0.000 2.894 351 T HA 0.870 5.220 4.350 0.000 0.000 0.309 351 T C -0.099 174.787 174.700 0.311 0.000 1.208 351 T CA -0.765 61.572 62.100 0.395 0.000 1.016 351 T CB 2.290 71.266 68.868 0.181 0.000 1.192 351 T HN 0.684 nan 8.240 nan 0.000 0.491 352 G N 0.837 109.575 108.800 -0.104 0.000 2.495 352 G HA2 0.646 4.606 3.960 0.000 0.000 0.294 352 G HA3 0.646 4.606 3.960 0.000 0.000 0.294 352 G C -2.186 172.081 174.900 -1.056 0.000 1.397 352 G CA -1.165 43.635 45.100 -0.500 0.000 0.790 352 G HN 0.932 nan 8.290 nan 0.000 0.486 353 K N -1.234 118.831 120.400 -0.559 0.000 2.443 353 K HA 0.752 5.073 4.320 0.000 0.000 0.251 353 K C -1.784 174.775 176.600 -0.070 0.000 0.972 353 K CA -1.136 54.961 56.287 -0.317 0.000 0.833 353 K CB 2.212 34.637 32.500 -0.125 0.000 1.317 353 K HN 0.584 nan 8.250 nan 0.000 0.441 354 Y N 0.951 121.200 120.300 -0.085 0.000 2.328 354 Y HA 0.654 5.205 4.550 0.000 0.000 0.333 354 Y C -1.409 174.518 175.900 0.045 0.000 0.958 354 Y CA -1.576 56.504 58.100 -0.033 0.000 1.167 354 Y CB 1.462 39.873 38.460 -0.082 0.000 1.151 354 Y HN 0.847 nan 8.280 nan 0.000 0.470 355 A N 5.672 128.240 122.820 -0.420 0.000 2.399 355 A HA 0.711 5.031 4.320 0.000 0.000 0.327 355 A C -0.004 177.250 177.584 -0.551 0.000 1.367 355 A CA -0.525 51.278 52.037 -0.389 0.000 0.842 355 A CB -0.233 18.680 19.000 -0.144 0.000 1.142 355 A HN 0.993 nan 8.150 nan 0.000 0.495 356 R N 2.868 122.941 120.500 -0.712 0.000 2.399 356 R HA 0.576 4.916 4.340 0.000 0.000 0.324 356 R C -0.081 176.121 176.300 -0.163 0.000 1.030 356 R CA 0.445 56.307 56.100 -0.398 0.000 0.984 356 R CB -0.294 29.855 30.300 -0.252 0.000 0.961 356 R HN 0.794 nan 8.270 nan 0.000 0.433 357 M N 0.703 120.249 119.600 -0.090 0.000 2.948 357 M HA 0.490 4.970 4.480 0.000 0.000 0.278 357 M C -0.345 175.940 176.300 -0.025 0.000 1.293 357 M CA -1.057 54.208 55.300 -0.058 0.000 0.777 357 M CB 2.051 34.616 32.600 -0.058 0.000 1.713 357 M HN 0.781 nan 8.290 nan 0.000 0.444 358 R N 0.343 120.827 120.500 -0.027 0.000 3.405 358 R HA -0.140 4.200 4.340 0.000 0.000 0.258 358 R C -0.369 175.929 176.300 -0.003 0.000 1.030 358 R CA 1.095 57.188 56.100 -0.012 0.000 0.691 358 R CB -2.140 28.161 30.300 0.001 0.000 1.093 358 R HN 0.878 nan 8.270 nan 0.000 0.448 359 G N -1.925 106.862 108.800 -0.023 0.000 3.021 359 G HA2 0.503 4.463 3.960 0.000 0.000 0.243 359 G HA3 0.503 4.463 3.960 0.000 0.000 0.243 359 G C -0.104 174.759 174.900 -0.062 0.000 3.652 359 G CA -0.208 44.886 45.100 -0.010 0.000 0.499 359 G HN 0.468 nan 8.290 nan 0.000 0.342 360 A N 1.614 124.328 122.820 -0.177 0.000 2.307 360 A HA 0.634 4.954 4.320 0.000 0.000 0.271 360 A C 0.967 178.306 177.584 -0.407 0.000 1.188 360 A CA 0.698 52.476 52.037 -0.433 0.000 0.810 360 A CB -0.320 18.187 19.000 -0.821 0.000 1.123 360 A HN 2.056 nan 8.150 nan 0.000 0.509 361 H N -1.861 117.211 119.070 0.003 0.000 2.631 361 H HA -0.094 4.462 4.556 0.000 0.000 0.322 361 H C -0.375 174.964 175.328 0.019 0.000 1.035 361 H CA 0.612 56.659 56.048 -0.001 0.000 1.070 361 H CB -2.347 27.401 29.762 -0.023 0.000 1.622 361 H HN 0.646 nan 8.280 nan 0.000 0.373 362 T N 0.646 115.235 114.554 0.058 0.000 2.876 362 T HA 0.295 4.645 4.350 0.000 0.000 0.289 362 T C 0.367 175.086 174.700 0.032 0.000 1.014 362 T CA -1.120 61.016 62.100 0.061 0.000 0.986 362 T CB 2.018 70.913 68.868 0.044 0.000 1.021 362 T HN 0.536 nan 8.240 nan 0.000 0.458 363 N N 1.141 119.844 118.700 0.004 0.000 2.503 363 N HA 0.096 4.836 4.740 0.000 0.000 0.267 363 N C 0.422 175.887 175.510 -0.075 0.000 1.214 363 N CA -0.041 52.948 53.050 -0.101 0.000 0.959 363 N CB 1.482 39.815 38.487 -0.256 0.000 1.142 363 N HN 0.573 nan 8.380 nan 0.000 0.455 364 D N 1.646 122.012 120.400 -0.057 0.000 2.084 364 D HA -0.075 4.565 4.640 0.000 0.000 0.199 364 D C 1.827 178.155 176.300 0.046 0.000 0.981 364 D CA 1.146 55.206 54.000 0.100 0.000 0.841 364 D CB -0.058 40.844 40.800 0.171 0.000 0.997 364 D HN 0.333 nan 8.370 nan 0.000 0.454 365 V N 0.877 120.697 119.914 -0.156 0.000 2.278 365 V HA -0.337 3.783 4.120 0.000 0.000 0.251 365 V C 2.669 178.654 176.094 -0.181 0.000 1.062 365 V CA 2.820 65.017 62.300 -0.171 0.000 1.038 365 V CB -1.125 30.463 31.823 -0.393 0.000 0.646 365 V HN 0.401 nan 8.190 nan 0.000 0.447 366 K N -0.561 119.673 120.400 -0.276 0.000 2.044 366 K HA -0.314 4.006 4.320 0.000 0.000 0.210 366 K C 2.070 178.570 176.600 -0.167 0.000 1.049 366 K CA 2.359 58.510 56.287 -0.225 0.000 0.927 366 K CB -0.966 31.395 32.500 -0.231 0.000 0.713 366 K HN 0.634 nan 8.250 nan 0.000 0.443 367 Q N -0.646 119.087 119.800 -0.112 0.000 2.167 367 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 367 Q C 2.222 177.907 176.000 -0.525 0.000 0.970 367 Q CA 1.264 56.982 55.803 -0.142 0.000 0.855 367 Q CB -0.223 28.530 28.738 0.025 0.000 0.911 367 Q HN 0.590 nan 8.270 nan 0.000 0.438 368 L N -0.013 120.877 121.223 -0.555 0.000 1.970 368 L HA -0.205 4.135 4.340 0.000 0.000 0.212 368 L C 2.125 178.723 176.870 -0.452 0.000 1.071 368 L CA 2.275 56.673 54.840 -0.736 0.000 0.751 368 L CB -0.857 41.119 42.059 -0.138 0.000 0.889 368 L HN 0.095 nan 8.230 nan 0.000 0.432 369 T N -0.601 113.806 114.554 -0.244 0.000 2.759 369 T HA -0.204 4.146 4.350 0.000 0.000 0.269 369 T C 1.711 176.249 174.700 -0.271 0.000 1.042 369 T CA 1.733 63.718 62.100 -0.193 0.000 1.140 369 T CB -0.338 68.486 68.868 -0.073 0.000 0.864 369 T HN 0.472 nan 8.240 nan 0.000 0.455 370 E N 0.794 120.827 120.200 -0.277 0.000 2.077 370 E HA -0.088 4.262 4.350 0.000 0.000 0.193 370 E C 2.522 178.778 176.600 -0.573 0.000 0.989 370 E CA 1.051 57.245 56.400 -0.343 0.000 0.800 370 E CB -0.189 29.393 29.700 -0.198 0.000 0.746 370 E HN 0.507 nan 8.360 nan 0.000 0.452 371 A N 0.654 123.142 122.820 -0.553 0.000 1.897 371 A HA -0.113 4.207 4.320 0.000 0.000 0.215 371 A C 2.452 179.868 177.584 -0.279 0.000 1.181 371 A CA 0.850 52.612 52.037 -0.458 0.000 0.620 371 A CB -0.617 18.286 19.000 -0.163 0.000 0.821 371 A HN 0.120 nan 8.150 nan 0.000 0.443 372 V N 0.103 119.807 119.914 -0.349 0.000 2.277 372 V HA -0.379 3.741 4.120 0.000 0.000 0.253 372 V C 2.807 178.696 176.094 -0.342 0.000 1.067 372 V CA 2.682 64.683 62.300 -0.499 0.000 1.047 372 V CB -0.748 30.676 31.823 -0.665 0.000 0.649 372 V HN 0.740 nan 8.190 nan 0.000 0.447 373 Q N 0.422 120.049 119.800 -0.287 0.000 2.020 373 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 373 Q C 2.135 178.058 176.000 -0.129 0.000 0.982 373 Q CA 2.245 57.938 55.803 -0.183 0.000 0.838 373 Q CB -0.508 28.125 28.738 -0.176 0.000 0.899 373 Q HN 0.529 nan 8.270 nan 0.000 0.423 374 K N -0.114 120.176 120.400 -0.183 0.000 2.184 374 K HA -0.224 4.096 4.320 0.000 0.000 0.210 374 K C 1.664 178.262 176.600 -0.004 0.000 1.048 374 K CA 2.071 58.299 56.287 -0.097 0.000 0.931 374 K CB -0.502 31.949 32.500 -0.082 0.000 0.718 374 K HN 0.406 nan 8.250 nan 0.000 0.465 375 I N -0.872 119.697 120.570 -0.002 0.000 2.141 375 I HA -0.243 3.927 4.170 0.000 0.000 0.236 375 I C 2.092 178.243 176.117 0.057 0.000 1.071 375 I CA 1.584 62.878 61.300 -0.009 0.000 1.345 375 I CB -0.763 37.333 38.000 0.160 0.000 1.066 375 I HN 0.149 nan 8.210 nan 0.000 0.406 376 T N 0.241 114.856 114.554 0.102 0.000 2.620 376 T HA -0.273 4.077 4.350 0.000 0.000 0.267 376 T C 1.926 176.655 174.700 0.047 0.000 1.044 376 T CA 2.460 64.623 62.100 0.104 0.000 1.161 376 T CB -0.614 68.291 68.868 0.062 0.000 0.862 376 T HN 0.354 nan 8.240 nan 0.000 0.438 377 T N 1.042 115.601 114.554 0.007 0.000 2.665 377 T HA -0.131 4.219 4.350 0.000 0.000 0.268 377 T C 1.963 176.648 174.700 -0.025 0.000 1.035 377 T CA 1.456 63.551 62.100 -0.008 0.000 1.151 377 T CB -0.263 68.591 68.868 -0.024 0.000 0.862 377 T HN 0.486 nan 8.240 nan 0.000 0.438 378 E N 0.063 120.242 120.200 -0.035 0.000 2.152 378 E HA -0.031 4.319 4.350 0.000 0.000 0.192 378 E C 2.285 178.795 176.600 -0.150 0.000 0.983 378 E CA 0.495 56.842 56.400 -0.088 0.000 0.818 378 E CB -0.023 29.636 29.700 -0.068 0.000 0.758 378 E HN 0.268 nan 8.360 nan 0.000 0.467 379 S N 0.078 115.774 115.700 -0.007 0.000 2.474 379 S HA -0.059 4.411 4.470 0.000 0.000 0.235 379 S C 1.594 176.221 174.600 0.045 0.000 0.997 379 S CA 0.405 58.703 58.200 0.162 0.000 0.949 379 S CB 0.080 63.429 63.200 0.249 0.000 0.766 379 S HN 0.176 nan 8.310 nan 0.000 0.517 380 I N -0.020 120.531 120.570 -0.032 0.000 2.810 380 I HA 0.035 4.205 4.170 0.000 0.000 0.262 380 I C 1.752 177.802 176.117 -0.112 0.000 1.131 380 I CA 0.514 61.795 61.300 -0.031 0.000 1.453 380 I CB -0.184 37.819 38.000 0.005 0.000 1.161 380 I HN 0.013 nan 8.210 nan 0.000 0.444 381 V N 0.826 120.658 119.914 -0.136 0.000 2.944 381 V HA -0.232 3.888 4.120 0.000 0.000 0.265 381 V C 1.778 177.721 176.094 -0.251 0.000 1.125 381 V CA 1.865 64.074 62.300 -0.151 0.000 1.145 381 V CB -0.829 30.915 31.823 -0.132 0.000 0.725 381 V HN 0.355 nan 8.190 nan 0.000 0.510 382 I N -3.217 117.084 120.570 -0.448 0.000 3.669 382 I HA 0.089 4.260 4.170 0.000 0.000 0.255 382 I C 1.678 177.351 176.117 -0.739 0.000 1.144 382 I CA 0.233 61.096 61.300 -0.727 0.000 1.447 382 I CB 0.051 37.223 38.000 -1.380 0.000 1.622 382 I HN 0.204 nan 8.210 nan 0.000 0.435 383 W N 1.691 122.924 121.300 -0.113 0.000 3.139 383 W HA 0.328 4.989 4.660 0.000 0.000 0.260 383 W C 1.453 177.959 176.519 -0.021 0.000 1.312 383 W CA 0.745 58.013 57.345 -0.129 0.000 1.606 383 W CB -0.794 28.447 29.460 -0.366 0.000 1.118 383 W HN 0.385 nan 8.180 nan 0.000 0.675 384 G N 1.974 110.797 108.800 0.039 0.000 2.296 384 G HA2 -0.335 3.625 3.960 0.000 0.000 0.282 384 G HA3 -0.335 3.625 3.960 0.000 0.000 0.282 384 G C 0.174 175.142 174.900 0.113 0.000 1.014 384 G CA 0.878 46.016 45.100 0.064 0.000 0.812 384 G HN 0.291 nan 8.290 nan 0.000 0.508 385 K N -0.941 119.549 120.400 0.151 0.000 2.480 385 K HA 0.669 4.989 4.320 0.000 0.000 0.258 385 K C -0.071 176.596 176.600 0.112 0.000 0.990 385 K CA -0.285 56.082 56.287 0.134 0.000 0.857 385 K CB 1.615 34.207 32.500 0.153 0.000 1.384 385 K HN 0.220 nan 8.250 nan 0.000 0.446 386 T N -0.132 114.468 114.554 0.075 0.000 2.758 386 T HA 0.442 4.792 4.350 0.000 0.000 0.285 386 T C -2.557 172.121 174.700 -0.038 0.000 0.981 386 T CA -2.104 60.035 62.100 0.065 0.000 0.965 386 T CB 0.987 69.920 68.868 0.110 0.000 0.927 386 T HN 0.124 nan 8.240 nan 0.000 0.448 387 P HA 0.203 nan 4.420 nan 0.000 0.266 387 P C -0.111 176.897 177.300 -0.487 0.000 1.195 387 P CA -0.472 62.343 63.100 -0.475 0.000 0.768 387 P CB 0.512 31.688 31.700 -0.874 0.000 0.838 388 K N 2.056 122.223 120.400 -0.388 0.000 2.202 388 K HA 0.320 4.641 4.320 0.000 0.000 0.264 388 K C -0.938 175.419 176.600 -0.405 0.000 1.010 388 K CA -0.133 56.022 56.287 -0.221 0.000 0.940 388 K CB 0.196 32.615 32.500 -0.135 0.000 0.983 388 K HN 0.220 nan 8.250 nan 0.000 0.475 389 F N 2.537 122.445 119.950 -0.070 0.000 2.467 389 F HA 0.320 4.848 4.527 0.000 0.000 0.336 389 F C 0.050 175.821 175.800 -0.049 0.000 1.123 389 F CA -0.683 57.278 58.000 -0.064 0.000 0.964 389 F CB 1.621 40.603 39.000 -0.030 0.000 1.136 389 F HN 0.182 nan 8.300 nan 0.000 0.447 390 K N 6.202 126.666 120.400 0.106 0.000 2.299 390 K HA 0.510 4.830 4.320 0.000 0.000 0.268 390 K C -1.052 175.641 176.600 0.154 0.000 1.075 390 K CA -0.176 56.153 56.287 0.071 0.000 0.936 390 K CB 1.144 33.660 32.500 0.027 0.000 1.228 390 K HN 0.625 nan 8.250 nan 0.000 0.454 391 L N 4.782 126.113 121.223 0.180 0.000 2.385 391 L HA 0.373 4.713 4.340 0.000 0.000 0.273 391 L C -1.985 175.055 176.870 0.283 0.000 0.990 391 L CA -2.045 52.945 54.840 0.250 0.000 0.821 391 L CB 2.670 44.917 42.059 0.312 0.000 1.279 391 L HN 0.263 nan 8.230 nan 0.000 0.412 392 P HA 0.132 nan 4.420 nan 0.000 0.231 392 P C -0.679 176.836 177.300 0.357 0.000 1.756 392 P CA 0.427 63.695 63.100 0.280 0.000 0.990 392 P CB -0.141 31.670 31.700 0.184 0.000 1.973 393 I N -0.766 120.087 120.570 0.471 0.000 2.667 393 I HA 0.200 4.370 4.170 0.000 0.000 0.288 393 I C -0.575 175.682 176.117 0.233 0.000 1.267 393 I CA -0.777 60.739 61.300 0.359 0.000 1.055 393 I CB 2.084 40.327 38.000 0.405 0.000 1.294 393 I HN -0.101 nan 8.210 nan 0.000 0.429 394 Q N 5.480 125.240 119.800 -0.067 0.000 2.540 394 Q HA 0.043 4.383 4.340 0.000 0.000 0.256 394 Q C 0.463 176.481 176.000 0.030 0.000 1.084 394 Q CA 0.106 55.708 55.803 -0.334 0.000 0.956 394 Q CB 1.194 29.734 28.738 -0.329 0.000 1.303 394 Q HN 0.648 nan 8.270 nan 0.000 0.509 395 K N 1.301 121.668 120.400 -0.055 0.000 2.044 395 K HA -0.148 4.172 4.320 0.000 0.000 0.204 395 K C 1.490 178.226 176.600 0.226 0.000 1.049 395 K CA 1.245 57.638 56.287 0.176 0.000 0.945 395 K CB 0.183 32.698 32.500 0.024 0.000 0.724 395 K HN 0.523 nan 8.250 nan 0.000 0.440 396 E N -0.337 119.922 120.200 0.098 0.000 2.204 396 E HA -0.140 4.210 4.350 0.000 0.000 0.195 396 E C 1.583 178.259 176.600 0.126 0.000 0.990 396 E CA 1.717 58.184 56.400 0.112 0.000 0.821 396 E CB 0.082 29.815 29.700 0.055 0.000 0.750 396 E HN 0.472 nan 8.360 nan 0.000 0.477 397 T N -0.992 113.627 114.554 0.109 0.000 3.023 397 T HA -0.124 4.226 4.350 0.000 0.000 0.266 397 T C 1.369 176.156 174.700 0.144 0.000 1.093 397 T CA 0.321 62.473 62.100 0.086 0.000 1.129 397 T CB -0.170 68.707 68.868 0.015 0.000 0.899 397 T HN 0.355 nan 8.240 nan 0.000 0.491 398 W N 2.551 123.892 121.300 0.068 0.000 2.463 398 W HA -0.029 4.631 4.660 0.000 0.000 0.316 398 W C 1.609 178.197 176.519 0.115 0.000 1.170 398 W CA 0.895 58.253 57.345 0.020 0.000 1.355 398 W CB -0.292 29.101 29.460 -0.111 0.000 1.159 398 W HN 0.125 nan 8.180 nan 0.000 0.487 399 E N 0.202 120.643 120.200 0.402 0.000 2.301 399 E HA -0.246 4.104 4.350 0.000 0.000 0.202 399 E C 1.947 178.727 176.600 0.301 0.000 1.017 399 E CA 2.538 59.218 56.400 0.466 0.000 0.831 399 E CB -0.729 29.216 29.700 0.408 0.000 0.742 399 E HN 0.522 nan 8.360 nan 0.000 0.491 400 T N -2.880 111.771 114.554 0.162 0.000 2.837 400 T HA -0.086 4.264 4.350 0.000 0.000 0.248 400 T C 1.651 176.395 174.700 0.072 0.000 1.033 400 T CA 0.211 62.381 62.100 0.117 0.000 1.150 400 T CB -0.763 68.185 68.868 0.134 0.000 0.865 400 T HN 0.322 nan 8.240 nan 0.000 0.425 401 W N 0.072 121.232 121.300 -0.234 0.000 2.982 401 W HA 0.110 4.770 4.660 0.000 0.000 0.239 401 W C 1.139 177.412 176.519 -0.410 0.000 1.303 401 W CA -0.570 56.577 57.345 -0.331 0.000 1.448 401 W CB -0.092 29.110 29.460 -0.429 0.000 1.133 401 W HN 0.438 nan 8.180 nan 0.000 0.698 402 W N 0.562 121.501 121.300 -0.602 0.000 2.720 402 W HA -0.051 4.609 4.660 0.000 0.000 0.301 402 W C 2.350 178.666 176.519 -0.338 0.000 1.097 402 W CA 2.358 59.366 57.345 -0.562 0.000 1.573 402 W CB -0.763 28.445 29.460 -0.421 0.000 1.160 402 W HN -0.357 nan 8.180 nan 0.000 0.520 403 T N 0.254 114.699 114.554 -0.181 0.000 3.113 403 T HA -0.080 4.270 4.350 0.000 0.000 0.263 403 T C 1.265 175.803 174.700 -0.270 0.000 1.143 403 T CA 1.374 63.289 62.100 -0.307 0.000 1.090 403 T CB 0.096 68.831 68.868 -0.221 0.000 0.922 403 T HN 0.244 nan 8.240 nan 0.000 0.521 404 E N 0.125 120.123 120.200 -0.337 0.000 2.022 404 E HA 0.051 4.401 4.350 0.000 0.000 0.190 404 E C 0.339 176.594 176.600 -0.576 0.000 0.973 404 E CA -0.165 55.978 56.400 -0.429 0.000 0.816 404 E CB -0.082 29.347 29.700 -0.452 0.000 0.781 404 E HN 0.378 nan 8.360 nan 0.000 0.456 405 Y N 1.238 120.819 120.300 -1.198 0.000 2.914 405 Y HA -0.235 4.315 4.550 0.000 0.000 0.348 405 Y C 1.168 176.820 175.900 -0.413 0.000 1.278 405 Y CA 0.470 58.013 58.100 -0.927 0.000 1.491 405 Y CB 0.279 38.100 38.460 -1.064 0.000 1.334 405 Y HN 0.306 nan 8.280 nan 0.000 0.650 406 W N 2.175 123.054 121.300 -0.702 0.000 2.674 406 W HA 0.058 4.718 4.660 0.000 0.000 0.298 406 W C 0.306 176.539 176.519 -0.476 0.000 1.115 406 W CA 0.465 57.499 57.345 -0.518 0.000 1.532 406 W CB -1.201 27.980 29.460 -0.464 0.000 1.142 406 W HN 0.538 nan 8.180 nan 0.000 0.528 407 Q N 2.680 121.633 119.800 -1.411 0.000 2.362 407 Q HA 0.244 4.584 4.340 0.000 0.000 0.305 407 Q C 0.196 175.912 176.000 -0.473 0.000 1.120 407 Q CA 0.117 55.261 55.803 -1.098 0.000 1.011 407 Q CB 0.486 28.208 28.738 -1.692 0.000 1.048 407 Q HN 0.189 nan 8.270 nan 0.000 0.386 408 A N 4.509 127.197 122.820 -0.219 0.000 2.498 408 A HA 0.388 4.708 4.320 0.000 0.000 0.239 408 A C 0.000 177.597 177.584 0.021 0.000 1.068 408 A CA 0.446 52.435 52.037 -0.079 0.000 0.766 408 A CB 0.380 19.355 19.000 -0.040 0.000 1.003 408 A HN 0.853 nan 8.150 nan 0.000 0.497 409 T N -0.482 114.157 114.554 0.142 0.000 2.883 409 T HA 0.694 5.044 4.350 0.000 0.000 0.296 409 T C -0.847 174.135 174.700 0.470 0.000 1.117 409 T CA -0.622 61.614 62.100 0.227 0.000 1.006 409 T CB 1.605 70.545 68.868 0.120 0.000 1.191 409 T HN 0.983 nan 8.240 nan 0.000 0.508 410 W N 0.839 122.220 121.300 0.135 0.000 3.097 410 W HA 0.635 5.296 4.660 0.000 0.000 0.335 410 W C -2.171 174.338 176.519 -0.016 0.000 1.114 410 W CA -1.187 56.226 57.345 0.113 0.000 1.231 410 W CB 1.457 30.967 29.460 0.083 0.000 1.388 410 W HN 0.991 nan 8.180 nan 0.000 0.485 411 I N 6.146 125.659 120.570 -1.761 0.000 2.468 411 I HA 0.493 4.663 4.170 0.000 0.000 0.285 411 I C -2.039 173.210 176.117 -1.447 0.000 1.039 411 I CA -2.151 58.291 61.300 -1.430 0.000 1.074 411 I CB 1.659 38.850 38.000 -1.348 0.000 1.228 411 I HN 0.232 nan 8.210 nan 0.000 0.436 412 P HA 0.136 nan 4.420 nan 0.000 0.288 412 P C -0.003 177.296 177.300 -0.002 0.000 1.291 412 P CA -0.190 62.849 63.100 -0.101 0.000 0.766 412 P CB 0.418 32.200 31.700 0.136 0.000 1.242 413 E N 0.446 120.721 120.200 0.124 0.000 3.446 413 E HA -0.133 4.217 4.350 0.000 0.000 0.221 413 E C -0.346 176.360 176.600 0.176 0.000 1.014 413 E CA 0.542 57.014 56.400 0.119 0.000 0.913 413 E CB -0.500 29.246 29.700 0.077 0.000 0.913 413 E HN 0.297 nan 8.360 nan 0.000 0.561 414 W N 2.925 124.132 121.300 -0.155 0.000 2.736 414 W HA 0.673 5.333 4.660 0.000 0.000 0.335 414 W C -0.708 175.737 176.519 -0.123 0.000 1.059 414 W CA -1.498 55.764 57.345 -0.139 0.000 1.226 414 W CB 0.489 29.736 29.460 -0.355 0.000 1.416 414 W HN 0.203 nan 8.180 nan 0.000 0.505 415 E N 2.285 122.311 120.200 -0.289 0.000 2.312 415 E HA 0.493 4.843 4.350 0.000 0.000 0.267 415 E C -1.818 174.659 176.600 -0.204 0.000 0.894 415 E CA -0.984 55.201 56.400 -0.357 0.000 0.773 415 E CB 2.540 32.130 29.700 -0.184 0.000 1.241 415 E HN 0.273 nan 8.360 nan 0.000 0.432 416 F N 4.256 123.986 119.950 -0.365 0.000 2.396 416 F HA 0.477 5.004 4.527 0.000 0.000 0.343 416 F C -0.715 175.020 175.800 -0.109 0.000 1.104 416 F CA -0.304 57.564 58.000 -0.220 0.000 1.161 416 F CB 0.697 39.550 39.000 -0.245 0.000 1.146 416 F HN 0.236 nan 8.300 nan 0.000 0.522 417 V N 2.393 121.777 119.914 -0.884 0.000 3.167 417 V HA 0.626 4.746 4.120 0.000 0.000 0.310 417 V C -1.242 174.295 176.094 -0.930 0.000 1.207 417 V CA -1.328 60.486 62.300 -0.811 0.000 1.059 417 V CB 1.844 33.483 31.823 -0.307 0.000 1.079 417 V HN 0.785 nan 8.190 nan 0.000 0.446 418 N N -0.470 117.928 118.700 -0.505 0.000 2.384 418 N HA 0.861 5.601 4.740 0.000 0.000 0.301 418 N C -1.066 174.368 175.510 -0.127 0.000 1.133 418 N CA -0.516 52.377 53.050 -0.260 0.000 0.853 418 N CB 2.054 40.438 38.487 -0.173 0.000 1.241 418 N HN 0.956 nan 8.380 nan 0.000 0.502 419 T N 0.381 114.902 114.554 -0.055 0.000 3.610 419 T HA 0.115 4.465 4.350 0.000 0.000 0.419 419 T C -2.095 172.598 174.700 -0.012 0.000 1.582 419 T CA -0.646 61.436 62.100 -0.030 0.000 1.146 419 T CB 1.452 70.306 68.868 -0.023 0.000 1.460 419 T HN 0.345 nan 8.240 nan 0.000 0.465 420 P HA -0.139 nan 4.420 nan 0.000 0.219 420 P C -1.353 175.941 177.300 -0.011 0.000 1.159 420 P CA 1.776 64.871 63.100 -0.007 0.000 0.944 420 P CB -1.485 30.210 31.700 -0.009 0.000 0.792 421 P HA 0.103 nan 4.420 nan 0.000 0.261 421 P C 0.407 177.678 177.300 -0.049 0.000 1.650 421 P CA -0.268 62.805 63.100 -0.044 0.000 0.846 421 P CB -0.862 30.783 31.700 -0.092 0.000 1.758 422 L N 0.958 122.168 121.223 -0.023 0.000 2.615 422 L HA -0.051 4.289 4.340 0.000 0.000 0.284 422 L C -0.124 176.698 176.870 -0.080 0.000 1.237 422 L CA 0.574 55.414 54.840 -0.001 0.000 0.905 422 L CB 0.344 42.418 42.059 0.024 0.000 1.149 422 L HN -0.126 nan 8.230 nan 0.000 0.499 423 V N 4.099 123.997 119.914 -0.026 0.000 2.617 423 V HA 0.968 5.088 4.120 0.000 0.000 0.298 423 V C 0.469 176.474 176.094 -0.148 0.000 1.048 423 V CA 0.100 62.351 62.300 -0.082 0.000 0.964 423 V CB 0.544 32.420 31.823 0.088 0.000 1.004 423 V HN 1.168 nan 8.190 nan 0.000 0.466 424 K N 2.173 122.383 120.400 -0.317 0.000 3.552 424 K HA 0.596 4.917 4.320 0.000 0.000 0.382 424 K C -1.538 174.758 176.600 -0.508 0.000 1.059 424 K CA -0.663 55.431 56.287 -0.322 0.000 0.799 424 K CB 0.140 32.477 32.500 -0.272 0.000 1.495 424 K HN 0.547 nan 8.250 nan 0.000 0.491 425 L N 2.062 123.074 121.223 -0.352 0.000 2.278 425 L HA 0.336 4.676 4.340 0.000 0.000 0.287 425 L C 0.825 177.565 176.870 -0.217 0.000 1.072 425 L CA -0.477 54.184 54.840 -0.299 0.000 0.819 425 L CB 0.489 42.448 42.059 -0.166 0.000 1.176 425 L HN 0.885 nan 8.230 nan 0.000 0.435 426 W N 2.790 124.047 121.300 -0.072 0.000 2.409 426 W HA -0.035 4.625 4.660 0.000 0.000 0.299 426 W C 0.647 177.253 176.519 0.145 0.000 1.203 426 W CA 0.122 57.495 57.345 0.048 0.000 1.298 426 W CB -0.418 29.109 29.460 0.112 0.000 1.127 426 W HN 0.473 nan 8.180 nan 0.000 0.528 427 Y N -2.529 117.908 120.300 0.227 0.000 2.715 427 Y HA 0.761 5.311 4.550 0.000 0.000 0.331 427 Y C -0.584 175.367 175.900 0.085 0.000 1.197 427 Y CA -2.185 55.989 58.100 0.122 0.000 1.079 427 Y CB 0.738 39.255 38.460 0.095 0.000 1.298 427 Y HN -0.104 nan 8.280 nan 0.000 0.477 428 Q N 0.389 120.402 119.800 0.356 0.000 2.687 428 Q HA 0.565 4.905 4.340 0.000 0.000 0.295 428 Q C -1.614 174.541 176.000 0.258 0.000 0.920 428 Q CA -0.873 55.052 55.803 0.203 0.000 0.766 428 Q CB 2.956 31.767 28.738 0.121 0.000 1.467 428 Q HN 0.768 nan 8.270 nan 0.000 0.415 429 L N 0.125 121.454 121.223 0.178 0.000 2.805 429 L HA 0.583 4.923 4.340 0.000 0.000 0.242 429 L C -0.125 176.802 176.870 0.095 0.000 1.180 429 L CA -0.892 54.022 54.840 0.124 0.000 1.001 429 L CB 0.524 42.622 42.059 0.064 0.000 1.864 429 L HN 0.560 nan 8.230 nan 0.000 0.551 430 E N -0.092 120.148 120.200 0.068 0.000 2.235 430 E HA 0.305 4.655 4.350 0.000 0.000 0.265 430 E C -0.088 176.568 176.600 0.094 0.000 0.940 430 E CA -0.491 55.994 56.400 0.141 0.000 0.819 430 E CB 2.178 32.065 29.700 0.311 0.000 1.206 430 E HN 0.404 nan 8.360 nan 0.000 0.409 431 K N 0.504 121.004 120.400 0.166 0.000 2.262 431 K HA 0.156 4.476 4.320 0.000 0.000 0.200 431 K C 0.113 176.896 176.600 0.305 0.000 1.058 431 K CA 0.449 56.823 56.287 0.144 0.000 0.974 431 K CB 0.482 33.038 32.500 0.094 0.000 0.910 431 K HN 0.392 nan 8.250 nan 0.000 0.484 432 E N 3.071 123.449 120.200 0.297 0.000 2.214 432 E HA 0.242 4.592 4.350 0.000 0.000 0.274 432 E C -2.536 174.107 176.600 0.073 0.000 0.977 432 E CA -2.606 53.921 56.400 0.212 0.000 0.827 432 E CB 1.094 30.847 29.700 0.089 0.000 1.130 432 E HN -0.011 nan 8.360 nan 0.000 0.394 433 P HA 0.024 nan 4.420 nan 0.000 0.269 433 P C -0.300 176.768 177.300 -0.387 0.000 1.215 433 P CA 0.141 62.624 63.100 -1.028 0.000 0.780 433 P CB 0.726 31.968 31.700 -0.763 0.000 0.898 434 I N 1.755 122.143 120.570 -0.302 0.000 2.441 434 I HA 0.084 4.255 4.170 0.000 0.000 0.287 434 I C 1.053 177.130 176.117 -0.067 0.000 1.049 434 I CA -1.015 60.225 61.300 -0.100 0.000 1.381 434 I CB 0.898 38.881 38.000 -0.027 0.000 1.409 434 I HN 0.146 nan 8.210 nan 0.000 0.523 435 V N 3.214 123.108 119.914 -0.033 0.000 2.740 435 V HA 0.411 4.532 4.120 0.000 0.000 0.303 435 V C 1.343 177.439 176.094 0.003 0.000 1.054 435 V CA 0.231 62.522 62.300 -0.015 0.000 1.106 435 V CB 0.351 32.172 31.823 -0.004 0.000 0.957 435 V HN 1.132 nan 8.190 nan 0.000 0.486 436 G N 2.411 111.217 108.800 0.010 0.000 2.494 436 G HA2 -0.245 3.716 3.960 0.000 0.000 0.252 436 G HA3 -0.245 3.716 3.960 0.000 0.000 0.252 436 G C 0.800 175.725 174.900 0.042 0.000 1.025 436 G CA 0.715 45.830 45.100 0.025 0.000 0.638 436 G HN 2.248 nan 8.290 nan 0.000 0.544 437 A N 0.358 123.201 122.820 0.039 0.000 2.547 437 A HA 0.440 4.761 4.320 0.000 0.000 0.233 437 A C 0.544 178.193 177.584 0.109 0.000 1.067 437 A CA 1.049 53.123 52.037 0.062 0.000 0.763 437 A CB 0.119 19.142 19.000 0.038 0.000 1.007 437 A HN 0.696 nan 8.150 nan 0.000 0.506 438 E N -0.058 120.251 120.200 0.182 0.000 2.354 438 E HA 0.270 4.621 4.350 0.000 0.000 0.269 438 E C -0.617 176.222 176.600 0.399 0.000 1.036 438 E CA 0.047 56.632 56.400 0.310 0.000 0.876 438 E CB 0.527 30.530 29.700 0.506 0.000 1.009 438 E HN 0.562 nan 8.360 nan 0.000 0.416 439 T N 4.998 119.777 114.554 0.376 0.000 2.929 439 T HA 0.260 4.611 4.350 0.000 0.000 0.331 439 T C -0.967 174.053 174.700 0.533 0.000 1.120 439 T CA -0.446 61.886 62.100 0.386 0.000 0.973 439 T CB -0.236 68.808 68.868 0.293 0.000 1.036 439 T HN 0.207 nan 8.240 nan 0.000 0.502 440 F N 2.944 122.989 119.950 0.159 0.000 2.368 440 F HA 0.308 4.835 4.527 0.000 0.000 0.362 440 F C 0.203 176.126 175.800 0.204 0.000 1.137 440 F CA -2.039 56.090 58.000 0.216 0.000 1.161 440 F CB -0.086 38.968 39.000 0.090 0.000 1.265 440 F HN 0.509 nan 8.300 nan 0.000 0.530 441 Y N 2.957 123.384 120.300 0.211 0.000 2.532 441 Y HA 0.210 4.760 4.550 0.000 0.000 0.337 441 Y C 0.714 176.707 175.900 0.155 0.000 1.274 441 Y CA -0.734 57.449 58.100 0.138 0.000 1.817 441 Y CB -0.925 37.575 38.460 0.065 0.000 1.769 441 Y HN 0.222 nan 8.280 nan 0.000 0.447 442 V N 1.447 121.513 119.914 0.254 0.000 3.566 442 V HA 0.117 4.237 4.120 0.000 0.000 0.301 442 V C 0.387 176.573 176.094 0.153 0.000 1.105 442 V CA -0.136 62.298 62.300 0.223 0.000 1.142 442 V CB 0.956 32.877 31.823 0.163 0.000 1.107 442 V HN 0.535 nan 8.190 nan 0.000 0.481 443 D N -1.775 118.704 120.400 0.131 0.000 2.783 443 D HA 0.545 5.185 4.640 0.000 0.000 0.253 443 D C -0.426 175.918 176.300 0.072 0.000 1.206 443 D CA 0.469 54.518 54.000 0.081 0.000 0.740 443 D CB 1.951 42.792 40.800 0.069 0.000 1.313 443 D HN 0.902 nan 8.370 nan 0.000 0.427 444 G N -0.486 108.340 108.800 0.043 0.000 2.749 444 G HA2 1.031 4.992 3.960 0.000 0.000 0.300 444 G HA3 1.031 4.992 3.960 0.000 0.000 0.300 444 G C -1.432 173.477 174.900 0.016 0.000 1.352 444 G CA 0.067 45.187 45.100 0.034 0.000 0.789 444 G HN 1.019 nan 8.290 nan 0.000 0.509 445 A N -2.374 120.452 122.820 0.010 0.000 2.441 445 A HA 0.961 5.281 4.320 0.000 0.000 0.295 445 A C -0.940 176.648 177.584 0.006 0.000 0.992 445 A CA 0.429 52.471 52.037 0.007 0.000 0.603 445 A CB 0.408 19.418 19.000 0.016 0.000 1.385 445 A HN 2.660 nan 8.150 nan 0.000 0.470 446 A N -1.265 121.560 122.820 0.007 0.000 2.608 446 A HA 0.829 5.149 4.320 0.000 0.000 0.292 446 A C -0.411 177.178 177.584 0.009 0.000 1.066 446 A CA 0.337 52.377 52.037 0.006 0.000 0.676 446 A CB 0.074 19.073 19.000 -0.003 0.000 1.277 446 A HN 2.556 nan 8.150 nan 0.000 0.413 447 N N 0.562 119.267 118.700 0.008 0.000 2.482 447 N HA 0.314 5.054 4.740 0.000 0.000 0.242 447 N C 0.576 176.091 175.510 0.007 0.000 1.100 447 N CA 0.030 53.085 53.050 0.008 0.000 0.946 447 N CB -0.102 38.390 38.487 0.007 0.000 1.227 447 N HN 0.688 nan 8.380 nan 0.000 0.508 448 R N -0.536 119.970 120.500 0.009 0.000 2.417 448 R HA -0.148 4.192 4.340 0.000 0.000 0.220 448 R C 0.415 176.719 176.300 0.007 0.000 1.128 448 R CA 1.432 57.538 56.100 0.008 0.000 1.048 448 R CB 0.234 30.541 30.300 0.012 0.000 0.835 448 R HN 0.788 nan 8.270 nan 0.000 0.483 449 E N -2.278 117.926 120.200 0.006 0.000 2.614 449 E HA -0.033 4.317 4.350 0.000 0.000 0.192 449 E C 0.435 177.038 176.600 0.005 0.000 0.930 449 E CA 0.357 56.760 56.400 0.006 0.000 1.346 449 E CB 0.515 30.218 29.700 0.005 0.000 1.252 449 E HN 0.110 nan 8.360 nan 0.000 0.647 450 T N -0.642 113.915 114.554 0.006 0.000 3.084 450 T HA 0.167 4.517 4.350 0.000 0.000 0.270 450 T C 1.008 175.711 174.700 0.006 0.000 1.008 450 T CA 0.617 62.721 62.100 0.006 0.000 0.900 450 T CB 0.128 68.999 68.868 0.005 0.000 1.084 450 T HN 0.196 nan 8.240 nan 0.000 0.538 451 K N 0.408 120.812 120.400 0.006 0.000 3.596 451 K HA -0.223 4.097 4.320 0.000 0.000 0.295 451 K C -0.405 176.200 176.600 0.007 0.000 1.230 451 K CA 1.721 58.012 56.287 0.006 0.000 1.029 451 K CB -2.637 29.867 32.500 0.007 0.000 1.303 451 K HN 0.642 nan 8.250 nan 0.000 0.442 452 L N -1.705 119.522 121.223 0.008 0.000 2.334 452 L HA 0.965 5.305 4.340 0.000 0.000 0.270 452 L C 0.570 177.446 176.870 0.010 0.000 1.018 452 L CA 0.084 54.929 54.840 0.009 0.000 0.811 452 L CB 2.101 44.166 42.059 0.009 0.000 1.271 452 L HN 0.167 nan 8.230 nan 0.000 0.443 453 G N 0.154 108.962 108.800 0.012 0.000 2.749 453 G HA2 0.714 4.674 3.960 0.000 0.000 0.300 453 G HA3 0.714 4.674 3.960 0.000 0.000 0.300 453 G C -1.773 173.138 174.900 0.019 0.000 1.352 453 G CA -0.972 44.136 45.100 0.014 0.000 0.789 453 G HN 0.542 nan 8.290 nan 0.000 0.509 454 K N -0.434 119.979 120.400 0.023 0.000 2.553 454 K HA 0.649 4.970 4.320 0.000 0.000 0.250 454 K C -0.858 175.767 176.600 0.041 0.000 0.953 454 K CA -0.640 55.664 56.287 0.029 0.000 0.800 454 K CB 2.568 35.082 32.500 0.022 0.000 1.243 454 K HN 0.761 nan 8.250 nan 0.000 0.435 455 A N 1.562 124.415 122.820 0.056 0.000 2.320 455 A HA 0.975 5.295 4.320 0.000 0.000 0.334 455 A C -0.033 177.614 177.584 0.106 0.000 1.147 455 A CA -0.119 51.966 52.037 0.081 0.000 0.820 455 A CB 1.574 20.627 19.000 0.088 0.000 1.218 455 A HN 0.856 nan 8.150 nan 0.000 0.482 456 G N -0.950 107.944 108.800 0.156 0.000 2.335 456 G HA2 0.604 4.565 3.960 0.000 0.000 0.291 456 G HA3 0.604 4.565 3.960 0.000 0.000 0.291 456 G C -1.150 173.963 174.900 0.355 0.000 1.261 456 G CA 0.350 45.583 45.100 0.221 0.000 0.871 456 G HN 2.106 nan 8.290 nan 0.000 0.491 457 Y N -3.312 117.025 120.300 0.061 0.000 2.953 457 Y HA 0.831 5.381 4.550 0.000 0.000 0.321 457 Y C -1.221 174.683 175.900 0.008 0.000 1.514 457 Y CA -1.547 56.599 58.100 0.075 0.000 1.091 457 Y CB 0.954 39.513 38.460 0.165 0.000 1.700 457 Y HN 1.096 nan 8.280 nan 0.000 0.436 458 V N 1.248 121.151 119.914 -0.019 0.000 2.809 458 V HA 0.486 4.606 4.120 0.000 0.000 0.290 458 V C -0.367 175.670 176.094 -0.095 0.000 1.305 458 V CA -0.208 61.990 62.300 -0.168 0.000 0.939 458 V CB 1.473 33.230 31.823 -0.110 0.000 1.081 458 V HN 1.258 nan 8.190 nan 0.000 0.439 459 T N 0.494 114.897 114.554 -0.251 0.000 2.884 459 T HA 0.314 4.664 4.350 0.000 0.000 0.277 459 T C 1.131 175.728 174.700 -0.173 0.000 0.976 459 T CA 0.192 62.093 62.100 -0.332 0.000 0.956 459 T CB 1.095 69.570 68.868 -0.656 0.000 1.113 459 T HN 0.848 nan 8.240 nan 0.000 0.554 460 N N -0.268 118.377 118.700 -0.092 0.000 2.396 460 N HA -0.047 4.693 4.740 0.000 0.000 0.180 460 N C 1.219 176.680 175.510 -0.080 0.000 1.028 460 N CA 0.250 53.256 53.050 -0.072 0.000 0.893 460 N CB -0.238 38.258 38.487 0.014 0.000 0.967 460 N HN 0.559 nan 8.380 nan 0.000 0.440 461 K N -0.018 120.332 120.400 -0.083 0.000 2.469 461 K HA 0.158 4.478 4.320 0.000 0.000 0.201 461 K C 0.331 176.880 176.600 -0.085 0.000 1.028 461 K CA 0.281 56.529 56.287 -0.065 0.000 1.170 461 K CB 0.274 32.750 32.500 -0.040 0.000 0.874 461 K HN 0.383 nan 8.250 nan 0.000 0.507 462 G N 2.529 111.261 108.800 -0.114 0.000 2.248 462 G HA2 -0.295 3.665 3.960 0.000 0.000 0.263 462 G HA3 -0.295 3.665 3.960 0.000 0.000 0.263 462 G C -0.351 174.464 174.900 -0.141 0.000 1.082 462 G CA -0.134 44.893 45.100 -0.122 0.000 0.863 462 G HN 0.341 nan 8.290 nan 0.000 0.495 463 R N 0.454 120.842 120.500 -0.187 0.000 2.215 463 R HA 0.507 4.847 4.340 0.000 0.000 0.337 463 R C 0.708 176.789 176.300 -0.365 0.000 1.010 463 R CA -0.310 55.660 56.100 -0.217 0.000 0.871 463 R CB 0.403 30.592 30.300 -0.185 0.000 1.134 463 R HN 0.516 nan 8.270 nan 0.000 0.477 464 Q N 2.663 122.255 119.800 -0.346 0.000 2.194 464 Q HA 0.514 4.854 4.340 0.000 0.000 0.245 464 Q C -0.893 174.781 176.000 -0.543 0.000 0.993 464 Q CA -0.896 54.651 55.803 -0.427 0.000 0.930 464 Q CB 2.074 30.668 28.738 -0.241 0.000 1.238 464 Q HN 0.479 nan 8.270 nan 0.000 0.486 465 K N -0.659 119.456 120.400 -0.475 0.000 3.076 465 K HA 0.400 4.720 4.320 0.000 0.000 0.314 465 K C -2.154 174.350 176.600 -0.160 0.000 1.113 465 K CA -0.367 55.727 56.287 -0.322 0.000 0.860 465 K CB 1.177 33.431 32.500 -0.410 0.000 1.435 465 K HN 0.413 nan 8.250 nan 0.000 0.374 466 V N 0.694 120.582 119.914 -0.043 0.000 3.282 466 V HA 0.617 4.737 4.120 0.000 0.000 0.295 466 V C -1.591 174.521 176.094 0.031 0.000 1.451 466 V CA -0.824 61.483 62.300 0.011 0.000 1.062 466 V CB 2.396 34.213 31.823 -0.010 0.000 1.128 466 V HN 0.513 nan 8.190 nan 0.000 0.456 467 V N 2.132 122.070 119.914 0.040 0.000 2.739 467 V HA 0.336 4.456 4.120 0.000 0.000 0.293 467 V C -2.859 173.255 176.094 0.033 0.000 1.199 467 V CA -1.056 61.266 62.300 0.037 0.000 0.931 467 V CB 2.487 34.341 31.823 0.051 0.000 1.052 467 V HN 0.754 nan 8.190 nan 0.000 0.441 468 P HA 0.422 nan 4.420 nan 0.000 0.271 468 P C -0.907 176.408 177.300 0.024 0.000 1.220 468 P CA 0.118 63.230 63.100 0.020 0.000 0.768 468 P CB 0.652 32.361 31.700 0.014 0.000 0.848 469 L N 2.784 124.022 121.223 0.024 0.000 2.303 469 L HA 0.717 5.058 4.340 0.000 0.000 0.266 469 L C 0.386 177.268 176.870 0.019 0.000 1.011 469 L CA -0.231 54.624 54.840 0.025 0.000 0.818 469 L CB 2.167 44.245 42.059 0.031 0.000 1.326 469 L HN 0.255 nan 8.230 nan 0.000 0.435 470 T N -0.584 113.981 114.554 0.019 0.000 2.883 470 T HA 0.326 4.676 4.350 0.000 0.000 0.301 470 T C -0.331 174.378 174.700 0.015 0.000 1.158 470 T CA -0.664 61.445 62.100 0.015 0.000 1.007 470 T CB 1.501 70.376 68.868 0.013 0.000 1.186 470 T HN 0.530 nan 8.240 nan 0.000 0.499 471 N N 1.411 120.118 118.700 0.012 0.000 2.727 471 N HA -0.144 4.597 4.740 0.000 0.000 0.249 471 N C -0.275 175.242 175.510 0.012 0.000 1.048 471 N CA 1.456 54.513 53.050 0.011 0.000 0.714 471 N CB -0.976 37.518 38.487 0.012 0.000 0.959 471 N HN 0.962 nan 8.380 nan 0.000 0.544 472 T N -4.339 110.221 114.554 0.010 0.000 2.916 472 T HA 0.714 5.065 4.350 0.000 0.000 0.292 472 T C 0.165 174.864 174.700 -0.002 0.000 1.055 472 T CA -0.701 61.404 62.100 0.008 0.000 1.009 472 T CB 1.978 70.854 68.868 0.013 0.000 1.118 472 T HN 0.077 nan 8.240 nan 0.000 0.497 473 T N 1.525 116.072 114.554 -0.012 0.000 2.882 473 T HA 0.311 4.661 4.350 0.000 0.000 0.287 473 T C 1.288 175.954 174.700 -0.057 0.000 0.992 473 T CA -0.908 61.171 62.100 -0.035 0.000 1.076 473 T CB 0.952 69.788 68.868 -0.053 0.000 0.961 473 T HN 0.645 nan 8.240 nan 0.000 0.490 474 N N 1.123 119.785 118.700 -0.064 0.000 2.322 474 N HA -0.167 4.574 4.740 0.000 0.000 0.189 474 N C 1.570 177.001 175.510 -0.132 0.000 1.012 474 N CA 1.375 54.383 53.050 -0.071 0.000 0.880 474 N CB -0.027 38.423 38.487 -0.061 0.000 0.967 474 N HN 0.678 nan 8.380 nan 0.000 0.439 475 Q N 0.195 119.866 119.800 -0.216 0.000 1.961 475 Q HA -0.047 4.293 4.340 0.000 0.000 0.197 475 Q C 2.018 177.895 176.000 -0.204 0.000 0.977 475 Q CA 0.950 56.503 55.803 -0.416 0.000 0.830 475 Q CB -0.151 28.198 28.738 -0.649 0.000 0.896 475 Q HN 0.212 nan 8.270 nan 0.000 0.437 476 K N 0.100 120.437 120.400 -0.105 0.000 2.077 476 K HA -0.240 4.080 4.320 0.000 0.000 0.213 476 K C 2.004 178.608 176.600 0.007 0.000 1.051 476 K CA 2.030 58.310 56.287 -0.011 0.000 0.929 476 K CB -0.167 32.335 32.500 0.004 0.000 0.715 476 K HN 0.162 nan 8.250 nan 0.000 0.451 477 T N 0.471 115.019 114.554 -0.009 0.000 2.595 477 T HA -0.184 4.166 4.350 0.000 0.000 0.264 477 T C 1.621 176.336 174.700 0.025 0.000 1.058 477 T CA 1.852 63.959 62.100 0.012 0.000 1.166 477 T CB -0.327 68.541 68.868 -0.000 0.000 0.863 477 T HN 0.405 nan 8.240 nan 0.000 0.415 478 E N 0.143 120.344 120.200 0.001 0.000 2.401 478 E HA -0.067 4.284 4.350 0.000 0.000 0.199 478 E C 1.713 178.349 176.600 0.059 0.000 1.023 478 E CA 0.299 56.715 56.400 0.027 0.000 0.859 478 E CB -0.172 29.530 29.700 0.004 0.000 0.780 478 E HN 0.191 nan 8.360 nan 0.000 0.523 479 L N 0.186 121.443 121.223 0.056 0.000 2.071 479 L HA -0.030 4.310 4.340 0.000 0.000 0.201 479 L C 2.243 179.165 176.870 0.086 0.000 1.076 479 L CA 1.779 56.670 54.840 0.086 0.000 0.755 479 L CB -1.011 41.106 42.059 0.097 0.000 0.915 479 L HN 0.125 nan 8.230 nan 0.000 0.445 480 Q N 0.179 120.031 119.800 0.086 0.000 2.173 480 Q HA -0.209 4.131 4.340 0.000 0.000 0.208 480 Q C 1.974 178.060 176.000 0.144 0.000 0.989 480 Q CA 2.331 58.209 55.803 0.126 0.000 0.872 480 Q CB -0.486 28.311 28.738 0.100 0.000 0.909 480 Q HN 0.528 nan 8.270 nan 0.000 0.420 481 A N -0.035 122.851 122.820 0.111 0.000 2.070 481 A HA -0.079 4.241 4.320 0.000 0.000 0.220 481 A C 1.911 179.559 177.584 0.107 0.000 1.159 481 A CA 1.410 53.517 52.037 0.116 0.000 0.656 481 A CB -0.678 18.387 19.000 0.108 0.000 0.800 481 A HN 0.561 nan 8.150 nan 0.000 0.453 482 I N -2.955 117.675 120.570 0.099 0.000 2.852 482 I HA -0.056 4.114 4.170 0.000 0.000 0.264 482 I C 2.325 178.492 176.117 0.083 0.000 1.179 482 I CA 0.539 61.878 61.300 0.065 0.000 1.480 482 I CB -0.469 37.565 38.000 0.056 0.000 1.111 482 I HN 0.294 nan 8.210 nan 0.000 0.441 483 Y N 2.909 123.186 120.300 -0.039 0.000 2.089 483 Y HA -0.184 4.366 4.550 0.000 0.000 0.282 483 Y C 2.277 178.133 175.900 -0.073 0.000 1.139 483 Y CA 1.344 59.411 58.100 -0.055 0.000 1.123 483 Y CB -0.675 37.768 38.460 -0.028 0.000 0.980 483 Y HN 0.020 nan 8.280 nan 0.000 0.493 484 L N -0.107 121.074 121.223 -0.069 0.000 1.956 484 L HA -0.308 4.033 4.340 0.000 0.000 0.216 484 L C 2.780 179.484 176.870 -0.278 0.000 1.073 484 L CA 1.711 56.457 54.840 -0.157 0.000 0.762 484 L CB -1.595 40.488 42.059 0.040 0.000 0.889 484 L HN 0.218 nan 8.230 nan 0.000 0.433 485 A N 0.012 122.642 122.820 -0.316 0.000 1.985 485 A HA -0.254 4.066 4.320 0.000 0.000 0.223 485 A C 2.305 179.588 177.584 -0.500 0.000 1.189 485 A CA 2.149 53.886 52.037 -0.500 0.000 0.658 485 A CB -0.906 17.976 19.000 -0.196 0.000 0.820 485 A HN 0.410 nan 8.150 nan 0.000 0.464 486 L N -1.587 119.465 121.223 -0.285 0.000 1.988 486 L HA -0.236 4.104 4.340 0.000 0.000 0.207 486 L C 2.936 179.664 176.870 -0.237 0.000 1.071 486 L CA 1.793 56.494 54.840 -0.232 0.000 0.744 486 L CB -0.637 41.407 42.059 -0.025 0.000 0.893 486 L HN 0.475 nan 8.230 nan 0.000 0.433 487 Q N 0.087 119.747 119.800 -0.232 0.000 1.998 487 Q HA -0.252 4.088 4.340 0.000 0.000 0.209 487 Q C 0.624 176.541 176.000 -0.138 0.000 1.002 487 Q CA 1.934 57.607 55.803 -0.217 0.000 0.858 487 Q CB -0.265 28.274 28.738 -0.331 0.000 0.932 487 Q HN 0.417 nan 8.270 nan 0.000 0.416 488 D N 0.766 121.099 120.400 -0.112 0.000 2.826 488 D HA 0.043 4.684 4.640 0.000 0.000 0.247 488 D C -0.756 175.606 176.300 0.104 0.000 1.238 488 D CA 0.262 54.293 54.000 0.052 0.000 0.894 488 D CB -0.272 40.665 40.800 0.228 0.000 1.100 488 D HN 0.075 nan 8.370 nan 0.000 0.453 489 S N -2.024 113.637 115.700 -0.065 0.000 2.569 489 S HA 0.697 5.167 4.470 0.000 0.000 0.280 489 S C 1.046 175.621 174.600 -0.041 0.000 1.111 489 S CA -0.910 57.231 58.200 -0.098 0.000 0.887 489 S CB 2.211 65.134 63.200 -0.461 0.000 1.095 489 S HN 0.139 nan 8.310 nan 0.000 0.476 490 G N 0.363 109.166 108.800 0.005 0.000 2.629 490 G HA2 0.222 4.183 3.960 0.000 0.000 0.213 490 G HA3 0.222 4.183 3.960 0.000 0.000 0.213 490 G C 0.661 175.555 174.900 -0.010 0.000 1.425 490 G CA 0.158 45.264 45.100 0.009 0.000 0.929 490 G HN 0.533 nan 8.290 nan 0.000 0.527 491 L N -0.211 121.011 121.223 -0.002 0.000 2.541 491 L HA 0.285 4.625 4.340 0.000 0.000 0.187 491 L C 0.510 177.375 176.870 -0.009 0.000 1.098 491 L CA 0.269 55.106 54.840 -0.004 0.000 0.846 491 L CB 0.105 42.170 42.059 0.010 0.000 1.151 491 L HN 0.477 nan 8.230 nan 0.000 0.492 492 E N 0.545 120.746 120.200 0.001 0.000 2.129 492 E HA 0.486 4.837 4.350 0.000 0.000 0.268 492 E C -0.980 175.618 176.600 -0.003 0.000 0.900 492 E CA -0.301 56.103 56.400 0.007 0.000 0.755 492 E CB 2.559 32.273 29.700 0.024 0.000 1.117 492 E HN -0.128 nan 8.360 nan 0.000 0.410 493 V N 2.895 122.791 119.914 -0.030 0.000 3.113 493 V HA 0.517 4.637 4.120 0.000 0.000 0.316 493 V C -1.395 174.699 176.094 -0.000 0.000 1.125 493 V CA -0.856 61.403 62.300 -0.069 0.000 1.026 493 V CB 2.364 34.030 31.823 -0.262 0.000 1.080 493 V HN 0.789 nan 8.190 nan 0.000 0.444 494 N N 3.095 121.808 118.700 0.021 0.000 2.352 494 N HA 0.589 5.329 4.740 0.000 0.000 0.291 494 N C -1.287 174.282 175.510 0.098 0.000 1.040 494 N CA -0.221 52.894 53.050 0.108 0.000 0.864 494 N CB 2.114 40.640 38.487 0.065 0.000 1.440 494 N HN 0.508 nan 8.380 nan 0.000 0.483 495 I N 1.196 121.833 120.570 0.110 0.000 2.474 495 I HA 0.412 4.582 4.170 0.000 0.000 0.294 495 I C -0.459 175.692 176.117 0.056 0.000 1.005 495 I CA -1.090 60.251 61.300 0.069 0.000 1.113 495 I CB 2.192 40.203 38.000 0.019 0.000 1.289 495 I HN -0.001 nan 8.210 nan 0.000 0.436 496 V N 4.733 124.631 119.914 -0.027 0.000 2.350 496 V HA 0.296 4.417 4.120 0.000 0.000 0.285 496 V C -0.039 176.020 176.094 -0.058 0.000 1.014 496 V CA -0.431 61.782 62.300 -0.146 0.000 0.831 496 V CB 1.716 33.194 31.823 -0.574 0.000 1.000 496 V HN 0.771 nan 8.190 nan 0.000 0.433 497 T N 2.323 116.887 114.554 0.016 0.000 2.799 497 T HA 0.196 4.546 4.350 0.000 0.000 0.286 497 T C 0.785 175.473 174.700 -0.019 0.000 0.973 497 T CA -0.362 61.785 62.100 0.078 0.000 1.035 497 T CB 1.919 70.916 68.868 0.216 0.000 0.932 497 T HN 0.690 nan 8.240 nan 0.000 0.469 498 D N 1.889 122.289 120.400 -0.000 0.000 2.091 498 D HA -0.043 4.597 4.640 0.000 0.000 0.199 498 D C 1.028 177.335 176.300 0.010 0.000 0.980 498 D CA 1.025 54.979 54.000 -0.076 0.000 0.831 498 D CB 0.207 40.996 40.800 -0.018 0.000 0.987 498 D HN 0.471 nan 8.370 nan 0.000 0.460 499 S N -0.573 115.249 115.700 0.204 0.000 2.562 499 S HA 0.141 4.612 4.470 0.000 0.000 0.275 499 S C 0.629 175.575 174.600 0.576 0.000 1.281 499 S CA -0.473 57.939 58.200 0.353 0.000 1.045 499 S CB 1.487 64.809 63.200 0.204 0.000 0.962 499 S HN 0.202 nan 8.310 nan 0.000 0.503 500 Q N 3.083 123.167 119.800 0.474 0.000 1.961 500 Q HA -0.076 4.264 4.340 0.000 0.000 0.197 500 Q C 1.470 177.463 176.000 -0.011 0.000 0.977 500 Q CA 1.511 57.290 55.803 -0.040 0.000 0.830 500 Q CB -0.451 28.291 28.738 0.006 0.000 0.896 500 Q HN 0.926 nan 8.270 nan 0.000 0.437 501 Y N 0.628 120.897 120.300 -0.051 0.000 1.980 501 Y HA -0.432 4.119 4.550 0.000 0.000 0.249 501 Y C 1.938 177.796 175.900 -0.069 0.000 1.215 501 Y CA 2.714 60.778 58.100 -0.061 0.000 1.075 501 Y CB -0.858 37.586 38.460 -0.027 0.000 0.894 501 Y HN 0.259 nan 8.280 nan 0.000 0.503 502 A N -0.216 122.796 122.820 0.319 0.000 1.968 502 A HA -0.073 4.247 4.320 0.000 0.000 0.217 502 A C 2.207 179.809 177.584 0.029 0.000 1.169 502 A CA 1.352 53.484 52.037 0.158 0.000 0.638 502 A CB -1.178 17.975 19.000 0.256 0.000 0.812 502 A HN 0.737 nan 8.150 nan 0.000 0.446 503 L N -0.149 121.096 121.223 0.036 0.000 2.012 503 L HA -0.008 4.332 4.340 0.000 0.000 0.210 503 L C 2.241 179.056 176.870 -0.093 0.000 1.073 503 L CA 2.648 57.476 54.840 -0.020 0.000 0.748 503 L CB -1.098 40.911 42.059 -0.083 0.000 0.891 503 L HN 0.201 nan 8.230 nan 0.000 0.431 504 G N 0.237 108.943 108.800 -0.157 0.000 2.421 504 G HA2 -0.223 3.738 3.960 0.000 0.000 0.216 504 G HA3 -0.223 3.738 3.960 0.000 0.000 0.216 504 G C 1.588 176.419 174.900 -0.115 0.000 1.171 504 G CA 1.285 46.284 45.100 -0.168 0.000 0.775 504 G HN 0.520 nan 8.290 nan 0.000 0.543 505 I N 0.461 120.932 120.570 -0.166 0.000 2.163 505 I HA -0.169 4.002 4.170 0.000 0.000 0.243 505 I C 2.416 178.521 176.117 -0.021 0.000 1.085 505 I CA 1.089 62.306 61.300 -0.139 0.000 1.347 505 I CB -0.244 37.615 38.000 -0.234 0.000 1.044 505 I HN 0.097 nan 8.210 nan 0.000 0.408 506 I N 0.164 120.732 120.570 -0.003 0.000 3.291 506 I HA -0.163 4.007 4.170 0.000 0.000 0.279 506 I C 2.417 178.593 176.117 0.098 0.000 1.294 506 I CA 0.624 61.960 61.300 0.061 0.000 1.428 506 I CB -0.365 37.658 38.000 0.038 0.000 1.070 506 I HN 0.249 nan 8.210 nan 0.000 0.478 507 Q N 0.592 120.426 119.800 0.057 0.000 2.083 507 Q HA -0.019 4.321 4.340 0.000 0.000 0.198 507 Q C 2.486 178.592 176.000 0.177 0.000 0.969 507 Q CA 1.621 57.471 55.803 0.078 0.000 0.838 507 Q CB -0.207 28.539 28.738 0.014 0.000 0.900 507 Q HN 0.563 nan 8.270 nan 0.000 0.436 508 A N 1.319 124.257 122.820 0.196 0.000 2.119 508 A HA -0.120 4.200 4.320 0.000 0.000 0.217 508 A C 0.800 178.429 177.584 0.075 0.000 1.153 508 A CA 0.981 53.196 52.037 0.296 0.000 0.692 508 A CB -0.293 18.875 19.000 0.280 0.000 0.799 508 A HN 0.526 nan 8.150 nan 0.000 0.458 509 Q N -3.007 116.806 119.800 0.022 0.000 2.451 509 Q HA -0.172 4.168 4.340 0.000 0.000 0.305 509 Q C -2.249 173.630 176.000 -0.202 0.000 1.345 509 Q CA 0.799 56.487 55.803 -0.191 0.000 0.854 509 Q CB -2.740 25.503 28.738 -0.824 0.000 1.162 509 Q HN 0.458 nan 8.270 nan 0.000 0.440 510 P HA 0.093 nan 4.420 nan 0.000 0.327 510 P C 0.196 177.492 177.300 -0.005 0.000 1.342 510 P CA 1.003 64.084 63.100 -0.031 0.000 0.761 510 P CB 0.375 32.093 31.700 0.030 0.000 1.675 511 D N -3.088 117.302 120.400 -0.018 0.000 2.640 511 D HA 0.132 4.772 4.640 0.000 0.000 0.120 511 D C -0.731 175.508 176.300 -0.101 0.000 1.354 511 D CA -0.196 53.752 54.000 -0.087 0.000 1.528 511 D CB -0.797 39.913 40.800 -0.151 0.000 1.963 511 D HN 0.023 nan 8.370 nan 0.000 0.191 512 K N 0.198 120.534 120.400 -0.107 0.000 2.397 512 K HA 0.611 4.931 4.320 0.000 0.000 0.265 512 K C -0.403 176.156 176.600 -0.068 0.000 0.982 512 K CA 0.114 56.341 56.287 -0.101 0.000 0.931 512 K CB 0.481 32.928 32.500 -0.088 0.000 0.943 512 K HN 0.289 nan 8.250 nan 0.000 0.501 513 S N -0.063 115.596 115.700 -0.068 0.000 2.597 513 S HA 0.037 4.507 4.470 0.000 0.000 0.274 513 S C -0.069 174.499 174.600 -0.053 0.000 1.132 513 S CA -0.881 57.285 58.200 -0.056 0.000 0.835 513 S CB 1.428 64.614 63.200 -0.024 0.000 1.092 513 S HN 0.795 nan 8.310 nan 0.000 0.457 514 E N 0.836 121.007 120.200 -0.048 0.000 2.427 514 E HA 0.024 4.374 4.350 0.000 0.000 0.196 514 E C 0.345 176.931 176.600 -0.025 0.000 1.028 514 E CA 0.194 56.571 56.400 -0.039 0.000 0.864 514 E CB 0.228 29.906 29.700 -0.037 0.000 0.813 514 E HN 0.408 nan 8.360 nan 0.000 0.514 515 S N 1.324 117.016 115.700 -0.012 0.000 2.701 515 S HA 0.029 4.499 4.470 0.000 0.000 0.317 515 S C 0.911 175.495 174.600 -0.026 0.000 1.149 515 S CA -0.450 57.752 58.200 0.004 0.000 1.052 515 S CB 0.284 63.516 63.200 0.054 0.000 1.257 515 S HN 0.157 nan 8.310 nan 0.000 0.532 516 E N 3.218 123.395 120.200 -0.037 0.000 2.171 516 E HA -0.187 4.164 4.350 0.000 0.000 0.197 516 E C 1.683 178.220 176.600 -0.105 0.000 0.997 516 E CA 0.817 57.179 56.400 -0.064 0.000 0.810 516 E CB -0.188 29.486 29.700 -0.043 0.000 0.738 516 E HN 0.685 nan 8.360 nan 0.000 0.467 517 L N 0.609 121.784 121.223 -0.080 0.000 2.017 517 L HA -0.191 4.149 4.340 0.000 0.000 0.208 517 L C 2.381 179.142 176.870 -0.182 0.000 1.073 517 L CA 1.256 56.025 54.840 -0.118 0.000 0.745 517 L CB -0.240 41.800 42.059 -0.032 0.000 0.894 517 L HN -0.077 nan 8.230 nan 0.000 0.432 518 V N 0.002 119.859 119.914 -0.094 0.000 2.358 518 V HA -0.250 3.870 4.120 0.000 0.000 0.246 518 V C 2.324 178.331 176.094 -0.145 0.000 1.047 518 V CA 1.843 64.094 62.300 -0.082 0.000 1.035 518 V CB -1.190 30.640 31.823 0.011 0.000 0.658 518 V HN 0.495 nan 8.190 nan 0.000 0.452 519 N N 0.587 119.204 118.700 -0.139 0.000 2.043 519 N HA -0.239 4.501 4.740 0.000 0.000 0.193 519 N C 1.950 177.315 175.510 -0.243 0.000 1.037 519 N CA 1.703 54.654 53.050 -0.165 0.000 0.851 519 N CB -0.537 37.869 38.487 -0.135 0.000 1.027 519 N HN 0.567 nan 8.380 nan 0.000 0.422 520 Q N 0.206 119.811 119.800 -0.325 0.000 2.268 520 Q HA -0.095 4.245 4.340 0.000 0.000 0.210 520 Q C 2.028 177.630 176.000 -0.663 0.000 0.988 520 Q CA 0.965 56.467 55.803 -0.502 0.000 0.883 520 Q CB -0.128 28.156 28.738 -0.756 0.000 0.911 520 Q HN 0.463 nan 8.270 nan 0.000 0.430 521 I N -0.592 119.626 120.570 -0.586 0.000 2.333 521 I HA -0.232 3.938 4.170 0.000 0.000 0.246 521 I C 2.097 178.054 176.117 -0.267 0.000 1.106 521 I CA 0.528 61.598 61.300 -0.382 0.000 1.411 521 I CB -0.132 37.718 38.000 -0.251 0.000 1.082 521 I HN 0.159 nan 8.210 nan 0.000 0.420 522 I N 1.240 121.658 120.570 -0.253 0.000 2.118 522 I HA -0.354 3.816 4.170 0.000 0.000 0.241 522 I C 2.439 178.385 176.117 -0.285 0.000 1.070 522 I CA 1.922 63.070 61.300 -0.254 0.000 1.327 522 I CB -0.127 37.768 38.000 -0.176 0.000 1.034 522 I HN 0.219 nan 8.210 nan 0.000 0.405 523 E N -0.299 119.766 120.200 -0.224 0.000 2.110 523 E HA -0.266 4.084 4.350 0.000 0.000 0.193 523 E C 2.197 178.718 176.600 -0.131 0.000 0.988 523 E CA 1.010 57.309 56.400 -0.168 0.000 0.804 523 E CB -0.128 29.497 29.700 -0.125 0.000 0.745 523 E HN 0.486 nan 8.360 nan 0.000 0.458 524 Q N 0.523 120.259 119.800 -0.108 0.000 2.030 524 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 524 Q C 2.486 178.402 176.000 -0.141 0.000 0.986 524 Q CA 1.176 56.946 55.803 -0.055 0.000 0.843 524 Q CB -0.490 28.262 28.738 0.024 0.000 0.904 524 Q HN 0.338 nan 8.270 nan 0.000 0.420 525 L N 0.384 121.454 121.223 -0.256 0.000 1.990 525 L HA -0.237 4.104 4.340 0.000 0.000 0.213 525 L C 2.509 179.166 176.870 -0.355 0.000 1.072 525 L CA 1.234 55.826 54.840 -0.414 0.000 0.755 525 L CB -0.523 41.051 42.059 -0.808 0.000 0.889 525 L HN 0.187 nan 8.230 nan 0.000 0.432 526 I N -0.624 119.751 120.570 -0.323 0.000 2.248 526 I HA -0.356 3.815 4.170 0.000 0.000 0.248 526 I C 2.532 178.630 176.117 -0.033 0.000 1.107 526 I CA 1.513 62.746 61.300 -0.111 0.000 1.373 526 I CB -0.239 37.712 38.000 -0.081 0.000 1.055 526 I HN 0.239 nan 8.210 nan 0.000 0.418 527 K N 0.389 120.756 120.400 -0.055 0.000 2.305 527 K HA -0.020 4.300 4.320 0.000 0.000 0.199 527 K C 0.585 177.175 176.600 -0.016 0.000 1.047 527 K CA 0.303 56.579 56.287 -0.019 0.000 0.976 527 K CB 0.329 32.818 32.500 -0.018 0.000 0.765 527 K HN -0.003 nan 8.250 nan 0.000 0.474 528 K N 0.669 121.044 120.400 -0.041 0.000 2.319 528 K HA -0.040 4.280 4.320 0.000 0.000 0.265 528 K C 1.204 177.805 176.600 0.002 0.000 1.000 528 K CA 0.669 56.938 56.287 -0.030 0.000 0.943 528 K CB 1.064 33.529 32.500 -0.058 0.000 0.950 528 K HN 0.214 nan 8.250 nan 0.000 0.485 529 E N 2.728 122.934 120.200 0.009 0.000 2.170 529 E HA -0.061 4.289 4.350 0.000 0.000 0.191 529 E C 0.071 176.695 176.600 0.040 0.000 0.981 529 E CA 1.195 57.612 56.400 0.027 0.000 0.830 529 E CB 0.097 29.811 29.700 0.024 0.000 0.775 529 E HN 0.479 nan 8.360 nan 0.000 0.470 530 K N -0.171 120.249 120.400 0.034 0.000 2.729 530 K HA 0.419 4.739 4.320 0.000 0.000 0.269 530 K C -1.708 174.925 176.600 0.055 0.000 1.065 530 K CA -0.347 55.974 56.287 0.056 0.000 1.000 530 K CB 2.305 34.841 32.500 0.060 0.000 1.283 530 K HN 0.117 nan 8.250 nan 0.000 0.491 531 V N 3.338 123.289 119.914 0.062 0.000 2.370 531 V HA 0.349 4.470 4.120 0.000 0.000 0.283 531 V C -0.823 175.341 176.094 0.116 0.000 1.023 531 V CA -0.843 61.487 62.300 0.051 0.000 0.857 531 V CB 0.799 32.618 31.823 -0.006 0.000 0.985 531 V HN 0.595 nan 8.190 nan 0.000 0.443 532 Y N 5.733 126.032 120.300 -0.001 0.000 2.350 532 Y HA 0.769 5.319 4.550 0.000 0.000 0.338 532 Y C -0.994 174.912 175.900 0.009 0.000 0.961 532 Y CA -0.868 57.242 58.100 0.017 0.000 1.100 532 Y CB 1.562 40.035 38.460 0.021 0.000 1.179 532 Y HN 0.544 nan 8.280 nan 0.000 0.454 533 L N 4.742 125.805 121.223 -0.267 0.000 2.304 533 L HA 1.000 5.340 4.340 0.000 0.000 0.268 533 L C -0.609 176.140 176.870 -0.201 0.000 1.010 533 L CA -0.627 54.153 54.840 -0.101 0.000 0.813 533 L CB 1.897 43.914 42.059 -0.070 0.000 1.315 533 L HN 0.793 nan 8.230 nan 0.000 0.445 534 A N -0.056 122.793 122.820 0.049 0.000 2.612 534 A HA 0.705 5.025 4.320 0.000 0.000 0.293 534 A C -2.475 175.230 177.584 0.200 0.000 1.075 534 A CA -0.492 51.627 52.037 0.137 0.000 0.680 534 A CB 0.991 20.145 19.000 0.257 0.000 1.279 534 A HN 0.676 nan 8.150 nan 0.000 0.411 535 W N 0.993 122.278 121.300 -0.025 0.000 3.138 535 W HA 0.632 5.292 4.660 0.000 0.000 0.331 535 W C -1.633 174.874 176.519 -0.020 0.000 1.166 535 W CA -0.476 56.852 57.345 -0.028 0.000 1.212 535 W CB 1.973 31.414 29.460 -0.031 0.000 1.399 535 W HN 1.207 nan 8.180 nan 0.000 0.514 536 V N 2.803 122.063 119.914 -1.088 0.000 2.971 536 V HA 0.680 4.800 4.120 0.000 0.000 0.309 536 V C -2.511 172.819 176.094 -1.274 0.000 1.130 536 V CA -2.738 58.903 62.300 -1.099 0.000 0.964 536 V CB 1.702 33.259 31.823 -0.444 0.000 1.029 536 V HN 0.530 nan 8.190 nan 0.000 0.427 537 P HA -0.006 nan 4.420 nan 0.000 0.255 537 P C 0.852 177.960 177.300 -0.320 0.000 1.161 537 P CA 1.219 64.018 63.100 -0.501 0.000 0.768 537 P CB 0.569 32.118 31.700 -0.251 0.000 0.746 538 A N 6.124 128.787 122.820 -0.261 0.000 2.240 538 A HA -0.253 4.067 4.320 0.000 0.000 0.199 538 A C 1.982 179.450 177.584 -0.193 0.000 1.172 538 A CA 1.496 53.380 52.037 -0.255 0.000 0.807 538 A CB -1.815 16.982 19.000 -0.338 0.000 0.830 538 A HN 0.628 nan 8.150 nan 0.000 0.527 539 H N -0.165 118.887 119.070 -0.030 0.000 2.466 539 H HA -0.112 4.444 4.556 0.000 0.000 0.297 539 H C 1.993 177.304 175.328 -0.028 0.000 1.113 539 H CA 1.614 57.650 56.048 -0.021 0.000 1.273 539 H CB -0.242 29.515 29.762 -0.008 0.000 1.371 539 H HN 0.333 nan 8.280 nan 0.000 0.528 540 K N 0.758 121.193 120.400 0.058 0.000 1.978 540 K HA -0.013 4.307 4.320 0.000 0.000 0.221 540 K C 0.889 177.486 176.600 -0.005 0.000 1.036 540 K CA 1.260 57.558 56.287 0.019 0.000 0.996 540 K CB -0.497 31.996 32.500 -0.012 0.000 0.755 540 K HN 0.402 nan 8.250 nan 0.000 0.445 541 G N 1.591 110.365 108.800 -0.042 0.000 2.564 541 G HA2 0.369 4.329 3.960 0.000 0.000 0.282 541 G HA3 0.369 4.329 3.960 0.000 0.000 0.282 541 G C -0.205 174.655 174.900 -0.066 0.000 1.469 541 G CA -0.485 44.593 45.100 -0.035 0.000 1.185 541 G HN 0.358 nan 8.290 nan 0.000 0.585 542 I N 1.842 122.380 120.570 -0.053 0.000 3.282 542 I HA 0.535 4.705 4.170 0.000 0.000 0.335 542 I C 1.054 177.214 176.117 0.072 0.000 1.325 542 I CA 0.047 61.312 61.300 -0.058 0.000 1.156 542 I CB -0.387 37.566 38.000 -0.078 0.000 1.644 542 I HN 0.754 nan 8.210 nan 0.000 0.493 543 G N 2.922 111.772 108.800 0.083 0.000 2.574 543 G HA2 -0.392 3.568 3.960 0.000 0.000 0.301 543 G HA3 -0.392 3.568 3.960 0.000 0.000 0.301 543 G C 0.946 175.892 174.900 0.076 0.000 1.166 543 G CA 0.336 45.539 45.100 0.172 0.000 0.971 543 G HN 0.740 nan 8.290 nan 0.000 0.542 544 G N 0.939 109.746 108.800 0.012 0.000 2.564 544 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 544 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 544 G C 1.357 176.235 174.900 -0.036 0.000 1.120 544 G CA 1.654 46.688 45.100 -0.110 0.000 0.752 544 G HN 1.174 nan 8.290 nan 0.000 0.558 545 N N 0.670 119.381 118.700 0.019 0.000 1.643 545 N HA -0.370 4.370 4.740 0.000 0.000 0.123 545 N C 2.017 177.526 175.510 -0.000 0.000 0.476 545 N CA 2.581 55.640 53.050 0.014 0.000 0.796 545 N CB -0.870 37.623 38.487 0.009 0.000 0.712 545 N HN 0.543 nan 8.380 nan 0.000 1.360 546 Q N -0.534 119.260 119.800 -0.009 0.000 2.103 546 Q HA -0.291 4.050 4.340 0.000 0.000 0.213 546 Q C 2.291 178.281 176.000 -0.017 0.000 1.008 546 Q CA 2.802 58.598 55.803 -0.012 0.000 0.879 546 Q CB -0.205 28.522 28.738 -0.019 0.000 0.946 546 Q HN 0.682 nan 8.270 nan 0.000 0.413 547 Q N -0.697 119.085 119.800 -0.030 0.000 1.994 547 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 547 Q C 2.215 178.199 176.000 -0.026 0.000 0.976 547 Q CA 1.586 57.367 55.803 -0.037 0.000 0.828 547 Q CB -0.313 28.388 28.738 -0.061 0.000 0.894 547 Q HN 0.169 nan 8.270 nan 0.000 0.432 548 V N 2.152 122.055 119.914 -0.018 0.000 2.220 548 V HA -0.375 3.745 4.120 0.000 0.000 0.250 548 V C 2.280 178.381 176.094 0.011 0.000 1.053 548 V CA 2.609 64.912 62.300 0.006 0.000 1.019 548 V CB -1.676 30.173 31.823 0.042 0.000 0.646 548 V HN 0.695 nan 8.190 nan 0.000 0.455 549 D N -0.162 120.246 120.400 0.014 0.000 2.350 549 D HA -0.017 4.623 4.640 0.000 0.000 0.216 549 D C 2.084 178.391 176.300 0.011 0.000 0.968 549 D CA 1.694 55.704 54.000 0.016 0.000 0.894 549 D CB -0.441 40.371 40.800 0.020 0.000 0.909 549 D HN 0.660 nan 8.370 nan 0.000 0.520 550 K N 0.287 120.689 120.400 0.003 0.000 2.186 550 K HA 0.337 4.657 4.320 0.000 0.000 0.202 550 K C 2.238 178.833 176.600 -0.008 0.000 1.052 550 K CA 1.021 57.306 56.287 -0.003 0.000 0.965 550 K CB -0.818 31.677 32.500 -0.009 0.000 0.746 550 K HN 0.670 nan 8.250 nan 0.000 0.457 551 L N -1.420 119.795 121.223 -0.014 0.000 2.313 551 L HA 0.155 4.496 4.340 0.000 0.000 0.214 551 L C 1.809 178.671 176.870 -0.012 0.000 1.119 551 L CA 0.477 55.305 54.840 -0.020 0.000 0.809 551 L CB -0.314 41.724 42.059 -0.036 0.000 0.933 551 L HN -0.030 nan 8.230 nan 0.000 0.449 552 V N 0.300 120.213 119.914 -0.002 0.000 3.646 552 V HA 0.069 4.189 4.120 0.000 0.000 0.277 552 V C 1.197 177.295 176.094 0.007 0.000 1.274 552 V CA 0.457 62.761 62.300 0.006 0.000 1.164 552 V CB -1.286 30.547 31.823 0.017 0.000 0.926 552 V HN 0.569 nan 8.190 nan 0.000 0.442 553 S N 1.388 117.090 115.700 0.004 0.000 2.537 553 S HA 0.588 5.058 4.470 0.000 0.000 0.286 553 S C -0.065 174.537 174.600 0.004 0.000 1.299 553 S CA 0.263 58.465 58.200 0.005 0.000 1.067 553 S CB 1.095 64.296 63.200 0.002 0.000 0.864 553 S HN 0.856 nan 8.310 nan 0.000 0.494 554 A N 2.131 124.954 122.820 0.006 0.000 2.511 554 A HA 0.700 5.020 4.320 0.000 0.000 0.292 554 A C 0.767 178.355 177.584 0.006 0.000 1.045 554 A CA -0.272 51.768 52.037 0.005 0.000 0.870 554 A CB 0.263 19.267 19.000 0.006 0.000 1.361 554 A HN 2.304 nan 8.150 nan 0.000 0.396 555 G N 0.205 109.007 108.800 0.004 0.000 2.377 555 G HA2 -0.001 3.959 3.960 0.000 0.000 0.250 555 G HA3 -0.001 3.959 3.960 0.000 0.000 0.250 555 G C 1.244 176.147 174.900 0.004 0.000 1.039 555 G CA 0.920 46.023 45.100 0.004 0.000 0.625 555 G HN 2.495 nan 8.290 nan 0.000 0.526 556 I N 0.324 120.898 120.570 0.007 0.000 2.754 556 I HA 0.799 4.970 4.170 0.000 0.000 0.285 556 I C 0.915 177.034 176.117 0.002 0.000 1.166 556 I CA 0.983 62.287 61.300 0.007 0.000 1.417 556 I CB -0.123 37.886 38.000 0.016 0.000 1.382 556 I HN 1.710 nan 8.210 nan 0.000 0.588 557 R N 3.670 124.169 120.500 -0.002 0.000 2.545 557 R HA 0.831 5.172 4.340 0.000 0.000 0.289 557 R C -0.312 175.981 176.300 -0.012 0.000 1.327 557 R CA 0.149 56.245 56.100 -0.006 0.000 1.040 557 R CB 0.333 30.629 30.300 -0.007 0.000 1.176 557 R HN 2.430 nan 8.270 nan 0.000 0.518 558 K N 0.000 120.394 120.400 -0.010 0.000 2.780 558 K HA 0.000 4.320 4.320 0.000 0.000 0.191 558 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 558 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543