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 3mec_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK XXKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.352 177.300 0.086 0.000 1.155 1 P CA 0.000 63.135 63.100 0.059 0.000 0.800 1 P CB 0.000 31.726 31.700 0.044 0.000 0.726 2 I N 0.305 120.918 120.570 0.072 0.000 2.439 2 I HA 0.345 4.516 4.170 0.002 0.000 0.285 2 I C 0.281 176.449 176.117 0.085 0.000 1.021 2 I CA -0.764 60.592 61.300 0.093 0.000 1.091 2 I CB 1.978 40.024 38.000 0.076 0.000 1.242 2 I HN 0.390 nan 8.210 nan 0.000 0.439 3 S N 7.866 123.637 115.700 0.118 0.000 2.552 3 S HA 0.152 4.624 4.470 0.002 0.000 0.289 3 S C -1.204 173.469 174.600 0.122 0.000 1.304 3 S CA -0.788 57.492 58.200 0.134 0.000 1.063 3 S CB 0.640 63.945 63.200 0.175 0.000 0.848 3 S HN 0.490 nan 8.310 nan 0.000 0.499 4 P HA 0.070 nan 4.420 nan 0.000 0.242 4 P C 0.658 178.088 177.300 0.217 0.000 1.197 4 P CA 0.083 63.227 63.100 0.072 0.000 0.765 4 P CB -0.222 31.409 31.700 -0.114 0.000 0.936 5 I N 0.521 121.286 120.570 0.326 0.000 2.754 5 I HA -0.003 4.168 4.170 0.002 0.000 0.285 5 I C 0.709 176.921 176.117 0.158 0.000 1.166 5 I CA -0.269 61.205 61.300 0.290 0.000 1.417 5 I CB 0.640 38.739 38.000 0.165 0.000 1.382 5 I HN -0.122 nan 8.210 nan 0.000 0.588 6 E N 4.419 124.693 120.200 0.124 0.000 2.436 6 E HA 0.007 4.359 4.350 0.002 0.000 0.262 6 E C -0.093 176.550 176.600 0.072 0.000 1.063 6 E CA 0.236 56.688 56.400 0.086 0.000 0.944 6 E CB 0.399 30.140 29.700 0.068 0.000 0.950 6 E HN 0.658 nan 8.360 nan 0.000 0.444 7 T N -1.803 112.794 114.554 0.071 0.000 2.882 7 T HA 0.269 4.620 4.350 0.002 0.000 0.287 7 T C 0.229 174.970 174.700 0.068 0.000 1.014 7 T CA -0.965 61.179 62.100 0.072 0.000 1.049 7 T CB 0.938 69.853 68.868 0.078 0.000 1.001 7 T HN 0.117 nan 8.240 nan 0.000 0.525 8 V N 3.976 123.935 119.914 0.076 0.000 2.432 8 V HA 0.313 4.434 4.120 0.002 0.000 0.275 8 V C -2.068 174.087 176.094 0.102 0.000 1.043 8 V CA -1.910 60.442 62.300 0.087 0.000 0.925 8 V CB 0.639 32.522 31.823 0.101 0.000 0.985 8 V HN 0.827 nan 8.190 nan 0.000 0.466 9 P HA 0.169 nan 4.420 nan 0.000 0.264 9 P C -0.861 176.491 177.300 0.088 0.000 1.193 9 P CA 0.242 63.393 63.100 0.085 0.000 0.763 9 P CB 0.495 32.234 31.700 0.065 0.000 0.810 10 V N 4.332 124.291 119.914 0.076 0.000 2.709 10 V HA 0.505 4.627 4.120 0.002 0.000 0.308 10 V C 0.034 176.164 176.094 0.060 0.000 1.062 10 V CA -0.633 61.664 62.300 -0.005 0.000 0.901 10 V CB 2.466 34.142 31.823 -0.243 0.000 1.003 10 V HN 0.410 nan 8.190 nan 0.000 0.425 11 K N 2.509 122.928 120.400 0.032 0.000 2.433 11 K HA 0.703 5.024 4.320 0.002 0.000 0.252 11 K C -1.213 175.480 176.600 0.154 0.000 1.015 11 K CA -0.843 55.536 56.287 0.154 0.000 0.860 11 K CB 2.783 35.328 32.500 0.076 0.000 1.359 11 K HN 0.469 nan 8.250 nan 0.000 0.452 12 L N 1.722 123.040 121.223 0.158 0.000 2.421 12 L HA 0.334 4.675 4.340 0.002 0.000 0.263 12 L C 0.650 177.527 176.870 0.013 0.000 1.122 12 L CA -0.569 54.315 54.840 0.073 0.000 0.804 12 L CB 0.459 42.470 42.059 -0.080 0.000 1.150 12 L HN 0.384 nan 8.230 nan 0.000 0.457 13 K N 2.199 122.599 120.400 -0.000 0.000 2.559 13 K HA -0.039 4.283 4.320 0.002 0.000 0.279 13 K C -1.441 175.156 176.600 -0.006 0.000 0.967 13 K CA -0.813 55.466 56.287 -0.013 0.000 1.000 13 K CB 0.307 32.802 32.500 -0.008 0.000 0.890 13 K HN 0.395 nan 8.250 nan 0.000 0.501 14 P HA -0.151 nan 4.420 nan 0.000 0.218 14 P C 1.090 178.395 177.300 0.009 0.000 1.149 14 P CA 1.398 64.500 63.100 0.003 0.000 0.817 14 P CB 0.134 31.834 31.700 0.000 0.000 0.785 15 G N -0.858 107.947 108.800 0.008 0.000 2.464 15 G HA2 0.014 3.975 3.960 0.002 0.000 0.217 15 G HA3 0.014 3.975 3.960 0.002 0.000 0.217 15 G C 0.928 175.838 174.900 0.015 0.000 1.138 15 G CA 0.255 45.363 45.100 0.013 0.000 0.793 15 G HN 0.217 nan 8.290 nan 0.000 0.539 16 M N -0.139 119.465 119.600 0.007 0.000 2.513 16 M HA 0.466 4.947 4.480 0.002 0.000 0.291 16 M C -0.830 175.463 176.300 -0.012 0.000 1.190 16 M CA -0.693 54.609 55.300 0.004 0.000 0.960 16 M CB 1.534 34.134 32.600 -0.000 0.000 1.517 16 M HN -0.073 nan 8.290 nan 0.000 0.499 17 D N -0.546 119.849 120.400 -0.008 0.000 2.493 17 D HA 0.544 5.186 4.640 0.002 0.000 0.239 17 D C -0.400 175.846 176.300 -0.089 0.000 1.049 17 D CA -0.224 53.770 54.000 -0.010 0.000 1.008 17 D CB 1.627 42.489 40.800 0.104 0.000 1.398 17 D HN 0.664 nan 8.370 nan 0.000 0.513 18 G N 0.500 109.176 108.800 -0.206 0.000 2.699 18 G HA2 0.362 4.323 3.960 0.002 0.000 0.246 18 G HA3 0.362 4.323 3.960 0.002 0.000 0.246 18 G C -2.296 172.648 174.900 0.073 0.000 1.219 18 G CA -0.758 44.109 45.100 -0.388 0.000 0.866 18 G HN 0.404 nan 8.290 nan 0.000 0.572 19 P HA 0.240 nan 4.420 nan 0.000 0.269 19 P C -0.413 177.062 177.300 0.292 0.000 1.215 19 P CA 0.036 63.250 63.100 0.191 0.000 0.780 19 P CB 0.646 32.460 31.700 0.190 0.000 0.898 20 K N 0.877 121.400 120.400 0.205 0.000 3.350 20 K HA 0.251 4.572 4.320 0.002 0.000 0.181 20 K C -0.997 175.678 176.600 0.125 0.000 1.064 20 K CA -0.286 56.102 56.287 0.169 0.000 0.839 20 K CB 0.759 33.338 32.500 0.132 0.000 0.819 20 K HN 0.158 nan 8.250 nan 0.000 0.523 21 V N 1.476 121.470 119.914 0.133 0.000 2.732 21 V HA 0.171 4.292 4.120 0.002 0.000 0.297 21 V C 0.517 176.681 176.094 0.117 0.000 1.060 21 V CA -0.508 61.863 62.300 0.117 0.000 1.038 21 V CB 1.288 33.181 31.823 0.117 0.000 1.003 21 V HN 0.286 nan 8.190 nan 0.000 0.481 22 K N 2.825 123.295 120.400 0.116 0.000 2.218 22 K HA 0.253 4.575 4.320 0.002 0.000 0.276 22 K C -0.184 176.508 176.600 0.154 0.000 1.022 22 K CA -0.559 55.798 56.287 0.118 0.000 0.946 22 K CB 1.078 33.646 32.500 0.113 0.000 1.000 22 K HN 0.710 nan 8.250 nan 0.000 0.468 23 Q N 4.369 124.251 119.800 0.135 0.000 2.296 23 Q HA -0.007 4.334 4.340 0.002 0.000 0.262 23 Q C -1.043 175.077 176.000 0.201 0.000 0.981 23 Q CA -0.058 55.841 55.803 0.160 0.000 0.905 23 Q CB 0.474 29.276 28.738 0.106 0.000 1.186 23 Q HN 0.566 nan 8.270 nan 0.000 0.399 24 W N 7.582 128.909 121.300 0.045 0.000 2.181 24 W HA 0.229 4.890 4.660 0.002 0.000 0.335 24 W C -2.215 174.294 176.519 -0.016 0.000 1.310 24 W CA -1.916 55.451 57.345 0.036 0.000 1.226 24 W CB 0.838 30.353 29.460 0.091 0.000 1.155 24 W HN 0.579 nan 8.180 nan 0.000 0.565 25 P HA 0.090 nan 4.420 nan 0.000 0.268 25 P C -0.791 176.261 177.300 -0.412 0.000 1.204 25 P CA 0.503 63.301 63.100 -0.503 0.000 0.768 25 P CB 1.114 32.460 31.700 -0.591 0.000 0.842 26 L N 1.633 122.714 121.223 -0.237 0.000 2.322 26 L HA 0.381 4.723 4.340 0.002 0.000 0.269 26 L C 1.115 177.896 176.870 -0.149 0.000 1.012 26 L CA -0.886 53.833 54.840 -0.201 0.000 0.815 26 L CB 1.497 43.405 42.059 -0.253 0.000 1.295 26 L HN 0.278 nan 8.230 nan 0.000 0.438 27 T N 0.137 114.627 114.554 -0.105 0.000 2.908 27 T HA -0.112 4.239 4.350 0.002 0.000 0.325 27 T C 1.147 175.783 174.700 -0.107 0.000 1.092 27 T CA 0.338 62.397 62.100 -0.068 0.000 1.125 27 T CB 0.605 69.469 68.868 -0.008 0.000 1.016 27 T HN 0.721 nan 8.240 nan 0.000 0.550 28 E N 0.991 121.142 120.200 -0.081 0.000 2.150 28 E HA -0.161 4.190 4.350 0.002 0.000 0.193 28 E C 2.032 178.553 176.600 -0.130 0.000 0.985 28 E CA 1.392 57.737 56.400 -0.092 0.000 0.814 28 E CB 0.084 29.748 29.700 -0.060 0.000 0.752 28 E HN 0.841 nan 8.360 nan 0.000 0.466 29 E N 0.122 120.241 120.200 -0.135 0.000 2.299 29 E HA -0.126 4.226 4.350 0.002 0.000 0.193 29 E C 1.738 178.022 176.600 -0.526 0.000 0.998 29 E CA 0.462 56.730 56.400 -0.220 0.000 0.851 29 E CB 0.055 29.716 29.700 -0.064 0.000 0.795 29 E HN 0.110 nan 8.360 nan 0.000 0.492 30 K N 0.806 120.933 120.400 -0.454 0.000 2.076 30 K HA 0.049 4.370 4.320 0.002 0.000 0.204 30 K C 2.181 178.548 176.600 -0.387 0.000 1.051 30 K CA 1.022 56.974 56.287 -0.558 0.000 0.949 30 K CB -0.052 32.253 32.500 -0.324 0.000 0.726 30 K HN 0.148 nan 8.250 nan 0.000 0.443 31 I N 1.654 122.067 120.570 -0.262 0.000 2.208 31 I HA -0.338 3.834 4.170 0.002 0.000 0.245 31 I C 2.575 178.586 176.117 -0.176 0.000 1.097 31 I CA 1.365 62.559 61.300 -0.177 0.000 1.363 31 I CB -0.246 37.675 38.000 -0.132 0.000 1.051 31 I HN 0.187 nan 8.210 nan 0.000 0.413 32 K N 1.386 121.652 120.400 -0.223 0.000 2.031 32 K HA -0.140 4.181 4.320 0.002 0.000 0.205 32 K C 2.278 178.742 176.600 -0.228 0.000 1.049 32 K CA 1.360 57.533 56.287 -0.189 0.000 0.939 32 K CB -0.132 32.263 32.500 -0.176 0.000 0.717 32 K HN 0.240 nan 8.250 nan 0.000 0.438 33 A N 1.641 124.209 122.820 -0.420 0.000 1.908 33 A HA -0.161 4.161 4.320 0.002 0.000 0.218 33 A C 2.158 179.628 177.584 -0.191 0.000 1.181 33 A CA 1.495 53.282 52.037 -0.416 0.000 0.627 33 A CB -0.752 17.687 19.000 -0.935 0.000 0.818 33 A HN 0.353 nan 8.150 nan 0.000 0.445 34 L N -0.611 120.506 121.223 -0.177 0.000 2.046 34 L HA -0.180 4.161 4.340 0.002 0.000 0.208 34 L C 2.574 179.433 176.870 -0.019 0.000 1.077 34 L CA 1.285 56.088 54.840 -0.061 0.000 0.747 34 L CB -0.655 41.383 42.059 -0.036 0.000 0.896 34 L HN 0.270 nan 8.230 nan 0.000 0.432 35 V N -0.103 119.795 119.914 -0.027 0.000 2.332 35 V HA -0.302 3.819 4.120 0.002 0.000 0.248 35 V C 2.364 178.456 176.094 -0.003 0.000 1.055 35 V CA 1.859 64.164 62.300 0.009 0.000 1.038 35 V CB -0.445 31.375 31.823 -0.006 0.000 0.651 35 V HN 0.442 nan 8.190 nan 0.000 0.450 36 E N -0.112 120.073 120.200 -0.025 0.000 2.023 36 E HA -0.217 4.135 4.350 0.002 0.000 0.196 36 E C 2.146 178.744 176.600 -0.004 0.000 1.003 36 E CA 1.786 58.180 56.400 -0.011 0.000 0.809 36 E CB -0.263 29.430 29.700 -0.010 0.000 0.755 36 E HN 0.539 nan 8.360 nan 0.000 0.449 37 I N 0.498 121.067 120.570 -0.001 0.000 2.151 37 I HA -0.381 3.790 4.170 0.002 0.000 0.243 37 I C 2.431 178.524 176.117 -0.041 0.000 1.080 37 I CA 0.923 62.228 61.300 0.009 0.000 1.339 37 I CB -0.242 37.778 38.000 0.033 0.000 1.039 37 I HN 0.302 nan 8.210 nan 0.000 0.409 38 C N -0.134 119.117 119.300 -0.082 0.000 2.440 38 C HA -0.137 4.325 4.460 0.002 0.000 0.278 38 C C 3.002 177.870 174.990 -0.203 0.000 1.295 38 C CA 1.370 60.246 59.018 -0.236 0.000 1.738 38 C CB -1.095 26.446 27.740 -0.332 0.000 1.987 38 C HN 0.508 nan 8.230 nan 0.000 0.492 39 T N 0.460 114.976 114.554 -0.064 0.000 2.720 39 T HA -0.196 4.155 4.350 0.002 0.000 0.268 39 T C 1.760 176.444 174.700 -0.027 0.000 1.037 39 T CA 1.948 64.040 62.100 -0.012 0.000 1.144 39 T CB -0.276 68.601 68.868 0.015 0.000 0.864 39 T HN 0.539 nan 8.240 nan 0.000 0.444 40 E N 1.035 121.219 120.200 -0.027 0.000 2.072 40 E HA 0.012 4.363 4.350 0.002 0.000 0.191 40 E C 2.134 178.714 176.600 -0.034 0.000 0.985 40 E CA 1.208 57.600 56.400 -0.014 0.000 0.801 40 E CB -0.366 29.340 29.700 0.009 0.000 0.750 40 E HN 0.487 nan 8.360 nan 0.000 0.452 41 M N 0.167 119.723 119.600 -0.074 0.000 2.149 41 M HA -0.149 4.332 4.480 0.002 0.000 0.261 41 M C 2.322 178.537 176.300 -0.142 0.000 1.064 41 M CA 1.711 56.934 55.300 -0.128 0.000 1.102 41 M CB -0.284 32.181 32.600 -0.223 0.000 1.369 41 M HN 0.152 nan 8.290 nan 0.000 0.408 42 E N 0.829 120.946 120.200 -0.139 0.000 2.204 42 E HA -0.171 4.180 4.350 0.002 0.000 0.194 42 E C 1.598 178.178 176.600 -0.033 0.000 0.989 42 E CA 1.010 57.362 56.400 -0.081 0.000 0.824 42 E CB 0.156 29.855 29.700 -0.002 0.000 0.756 42 E HN 0.482 nan 8.360 nan 0.000 0.477 43 K N 0.130 120.515 120.400 -0.025 0.000 2.288 43 K HA -0.069 4.252 4.320 0.002 0.000 0.201 43 K C 1.444 178.039 176.600 -0.009 0.000 1.048 43 K CA 0.883 57.164 56.287 -0.009 0.000 0.956 43 K CB 0.153 32.652 32.500 -0.002 0.000 0.746 43 K HN 0.114 nan 8.250 nan 0.000 0.461 44 E N -0.720 119.469 120.200 -0.017 0.000 2.474 44 E HA 0.069 4.420 4.350 0.002 0.000 0.195 44 E C 0.782 177.374 176.600 -0.013 0.000 1.039 44 E CA 0.263 56.660 56.400 -0.006 0.000 0.881 44 E CB 0.768 30.473 29.700 0.009 0.000 0.970 44 E HN 0.414 nan 8.360 nan 0.000 0.486 45 G N 1.609 110.391 108.800 -0.031 0.000 2.195 45 G HA2 -0.311 3.650 3.960 0.002 0.000 0.246 45 G HA3 -0.311 3.650 3.960 0.002 0.000 0.246 45 G C 1.149 176.012 174.900 -0.061 0.000 0.984 45 G CA 0.496 45.578 45.100 -0.030 0.000 0.633 45 G HN 0.045 nan 8.290 nan 0.000 0.525 46 K N 0.413 120.745 120.400 -0.112 0.000 2.074 46 K HA 0.024 4.345 4.320 0.002 0.000 0.209 46 K C 1.670 178.114 176.600 -0.259 0.000 1.048 46 K CA 1.902 58.060 56.287 -0.215 0.000 0.926 46 K CB -0.457 31.804 32.500 -0.397 0.000 0.713 46 K HN 0.978 nan 8.250 nan 0.000 0.444 47 I N -3.247 117.169 120.570 -0.257 0.000 2.828 47 I HA 0.409 4.580 4.170 0.002 0.000 0.302 47 I C -0.790 175.290 176.117 -0.062 0.000 1.101 47 I CA -0.864 60.295 61.300 -0.234 0.000 1.031 47 I CB 2.592 40.355 38.000 -0.395 0.000 1.231 47 I HN -0.325 nan 8.210 nan 0.000 0.427 48 S N 2.463 118.172 115.700 0.014 0.000 2.513 48 S HA 0.452 4.923 4.470 0.002 0.000 0.299 48 S C -0.726 173.929 174.600 0.092 0.000 1.087 48 S CA -0.958 57.275 58.200 0.055 0.000 1.012 48 S CB 1.808 65.009 63.200 0.001 0.000 1.044 48 S HN 0.710 nan 8.310 nan 0.000 0.485 49 K N 2.419 122.826 120.400 0.011 0.000 2.185 49 K HA 0.647 4.969 4.320 0.002 0.000 0.271 49 K C -0.259 176.206 176.600 -0.225 0.000 1.013 49 K CA -0.532 55.577 56.287 -0.297 0.000 0.943 49 K CB 0.447 32.653 32.500 -0.490 0.000 0.998 49 K HN 0.684 nan 8.250 nan 0.000 0.468 50 I N -2.665 117.738 120.570 -0.278 0.000 3.042 50 I HA 0.709 4.880 4.170 0.002 0.000 0.310 50 I C -0.621 175.384 176.117 -0.187 0.000 1.117 50 I CA -1.253 59.937 61.300 -0.183 0.000 1.003 50 I CB 2.458 40.371 38.000 -0.144 0.000 1.228 50 I HN 0.725 nan 8.210 nan 0.000 0.443 51 G N 1.955 110.674 108.800 -0.135 0.000 2.542 51 G HA2 0.694 4.655 3.960 0.002 0.000 0.311 51 G HA3 0.694 4.655 3.960 0.002 0.000 0.311 51 G C -2.971 171.870 174.900 -0.099 0.000 1.298 51 G CA -1.542 43.485 45.100 -0.122 0.000 0.973 51 G HN 0.538 nan 8.290 nan 0.000 0.487 52 P HA 0.083 nan 4.420 nan 0.000 0.265 52 P C 0.608 177.863 177.300 -0.074 0.000 1.193 52 P CA -0.049 63.000 63.100 -0.085 0.000 0.765 52 P CB 1.473 33.124 31.700 -0.081 0.000 0.823 53 E N 2.445 122.604 120.200 -0.069 0.000 2.365 53 E HA -0.305 4.046 4.350 0.002 0.000 0.252 53 E C 0.619 177.161 176.600 -0.098 0.000 1.017 53 E CA 1.704 58.059 56.400 -0.076 0.000 1.051 53 E CB -1.589 28.073 29.700 -0.063 0.000 0.978 53 E HN 0.723 nan 8.360 nan 0.000 0.523 54 N N 1.730 120.376 118.700 -0.090 0.000 1.939 54 N HA -0.123 4.619 4.740 0.002 0.000 0.301 54 N C -1.936 173.478 175.510 -0.160 0.000 1.353 54 N CA -0.143 52.848 53.050 -0.099 0.000 0.851 54 N CB 0.707 39.166 38.487 -0.046 0.000 1.153 54 N HN 0.074 nan 8.380 nan 0.000 0.496 55 P HA -0.024 nan 4.420 nan 0.000 0.249 55 P C -0.809 176.237 177.300 -0.423 0.000 1.229 55 P CA 0.637 63.497 63.100 -0.400 0.000 0.788 55 P CB 0.157 31.561 31.700 -0.492 0.000 1.072 56 Y N 0.541 120.860 120.300 0.032 0.000 2.432 56 Y HA 0.538 5.090 4.550 0.002 0.000 0.322 56 Y C 1.110 177.051 175.900 0.068 0.000 1.246 56 Y CA -0.611 57.532 58.100 0.072 0.000 1.268 56 Y CB 0.807 39.335 38.460 0.113 0.000 1.276 56 Y HN -0.118 nan 8.280 nan 0.000 0.499 57 N N -0.721 118.138 118.700 0.265 0.000 2.815 57 N HA 0.306 5.047 4.740 0.002 0.000 0.253 57 N C -2.061 173.572 175.510 0.206 0.000 1.202 57 N CA -0.341 52.833 53.050 0.205 0.000 0.925 57 N CB 1.920 40.488 38.487 0.134 0.000 1.622 57 N HN 0.666 nan 8.380 nan 0.000 0.497 58 T N 2.342 117.021 114.554 0.208 0.000 2.912 58 T HA 0.518 4.870 4.350 0.002 0.000 0.299 58 T C -2.844 171.925 174.700 0.115 0.000 1.052 58 T CA -0.880 61.303 62.100 0.139 0.000 0.996 58 T CB 2.215 71.133 68.868 0.084 0.000 1.070 58 T HN 0.363 nan 8.240 nan 0.000 0.465 59 P HA 0.301 nan 4.420 nan 0.000 0.276 59 P C -0.529 176.807 177.300 0.060 0.000 1.230 59 P CA -0.389 62.778 63.100 0.112 0.000 0.776 59 P CB 0.664 32.448 31.700 0.141 0.000 0.888 60 V N 1.325 121.302 119.914 0.104 0.000 2.630 60 V HA 0.696 4.817 4.120 0.002 0.000 0.305 60 V C -0.543 175.639 176.094 0.146 0.000 1.046 60 V CA -0.726 61.610 62.300 0.060 0.000 0.934 60 V CB 1.409 33.240 31.823 0.013 0.000 1.003 60 V HN 0.383 nan 8.190 nan 0.000 0.451 61 F N 1.369 121.331 119.950 0.020 0.000 2.675 61 F HA 0.935 5.463 4.527 0.002 0.000 0.324 61 F C -0.026 175.816 175.800 0.071 0.000 1.106 61 F CA -0.112 57.925 58.000 0.062 0.000 0.970 61 F CB 2.246 41.282 39.000 0.061 0.000 1.385 61 F HN 0.962 nan 8.300 nan 0.000 0.489 62 A N 2.539 125.619 122.820 0.434 0.000 2.488 62 A HA 0.784 5.106 4.320 0.002 0.000 0.298 62 A C -1.696 176.238 177.584 0.582 0.000 1.044 62 A CA -0.456 51.810 52.037 0.381 0.000 0.693 62 A CB 1.034 20.136 19.000 0.169 0.000 1.272 62 A HN 0.582 nan 8.150 nan 0.000 0.402 63 I N 0.867 121.729 120.570 0.487 0.000 2.646 63 I HA 0.426 4.598 4.170 0.002 0.000 0.299 63 I C 0.045 176.254 176.117 0.152 0.000 1.036 63 I CA -0.866 60.636 61.300 0.337 0.000 1.074 63 I CB 2.351 40.445 38.000 0.157 0.000 1.258 63 I HN 0.713 nan 8.210 nan 0.000 0.430 64 K N 4.840 125.078 120.400 -0.270 0.000 2.285 64 K HA 0.150 4.471 4.320 0.002 0.000 0.286 64 K C -0.011 176.393 176.600 -0.327 0.000 1.072 64 K CA -0.521 55.340 56.287 -0.710 0.000 0.913 64 K CB 0.655 32.533 32.500 -1.038 0.000 1.067 64 K HN 0.429 nan 8.250 nan 0.000 0.479 65 K N 5.455 125.711 120.400 -0.240 0.000 2.315 65 K HA -0.080 4.241 4.320 0.002 0.000 0.281 65 K C -0.629 175.893 176.600 -0.130 0.000 1.086 65 K CA 0.552 56.763 56.287 -0.126 0.000 1.042 65 K CB 0.069 32.524 32.500 -0.075 0.000 0.949 65 K HN 0.694 nan 8.250 nan 0.000 0.450 66 K N 2.328 122.665 120.400 -0.105 0.000 1.888 66 K HA -0.294 4.028 4.320 0.002 0.000 0.330 66 K C 0.461 176.995 176.600 -0.110 0.000 1.719 66 K CA 1.892 58.125 56.287 -0.089 0.000 0.669 66 K CB -0.893 31.566 32.500 -0.069 0.000 0.941 66 K HN 0.818 nan 8.250 nan 0.000 0.795 67 D N 0.117 120.465 120.400 -0.087 0.000 2.213 67 D HA 0.025 4.666 4.640 0.002 0.000 0.205 67 D C 0.019 176.261 176.300 -0.097 0.000 0.961 67 D CA 0.672 54.619 54.000 -0.088 0.000 0.853 67 D CB -0.088 40.676 40.800 -0.060 0.000 0.967 67 D HN 0.271 nan 8.370 nan 0.000 0.496 68 S N 0.945 116.595 115.700 -0.083 0.000 2.506 68 S HA 0.110 4.582 4.470 0.002 0.000 0.291 68 S C 0.633 175.172 174.600 -0.103 0.000 1.230 68 S CA -0.029 58.127 58.200 -0.073 0.000 1.107 68 S CB 0.047 63.215 63.200 -0.053 0.000 0.942 68 S HN 0.426 nan 8.310 nan 0.000 0.502 69 T N 2.048 116.545 114.554 -0.094 0.000 4.622 69 T HA 0.152 4.504 4.350 0.002 0.000 0.223 69 T C -0.021 174.621 174.700 -0.096 0.000 0.939 69 T CA -0.127 61.895 62.100 -0.130 0.000 1.070 69 T CB -0.736 68.095 68.868 -0.063 0.000 1.391 69 T HN 0.376 nan 8.240 nan 0.000 1.063 70 K N 1.395 121.720 120.400 -0.125 0.000 2.259 70 K HA 0.455 4.777 4.320 0.002 0.000 0.249 70 K C -0.969 175.565 176.600 -0.110 0.000 0.942 70 K CA -0.830 55.435 56.287 -0.035 0.000 0.816 70 K CB 1.621 34.126 32.500 0.009 0.000 1.155 70 K HN 0.433 nan 8.250 nan 0.000 0.428 71 W N 1.883 123.199 121.300 0.027 0.000 2.496 71 W HA 0.384 5.045 4.660 0.002 0.000 0.327 71 W C 0.448 176.990 176.519 0.038 0.000 1.086 71 W CA -0.576 56.790 57.345 0.036 0.000 1.222 71 W CB 0.980 30.463 29.460 0.038 0.000 1.304 71 W HN 0.188 nan 8.180 nan 0.000 0.547 72 R N 2.064 122.732 120.500 0.281 0.000 2.604 72 R HA 0.348 4.689 4.340 0.002 0.000 0.287 72 R C -0.447 175.980 176.300 0.212 0.000 0.970 72 R CA -1.265 54.951 56.100 0.193 0.000 0.946 72 R CB 1.980 32.348 30.300 0.114 0.000 1.127 72 R HN 0.362 nan 8.270 nan 0.000 0.473 73 K N 3.840 124.338 120.400 0.162 0.000 2.267 73 K HA 0.256 4.577 4.320 0.002 0.000 0.282 73 K C -0.777 175.896 176.600 0.122 0.000 1.078 73 K CA -0.255 56.112 56.287 0.134 0.000 0.903 73 K CB 0.517 33.076 32.500 0.099 0.000 1.111 73 K HN 0.465 nan 8.250 nan 0.000 0.475 74 L N 5.177 126.476 121.223 0.128 0.000 2.282 74 L HA 0.363 4.705 4.340 0.002 0.000 0.288 74 L C -0.447 176.443 176.870 0.034 0.000 1.033 74 L CA -1.029 53.870 54.840 0.098 0.000 0.807 74 L CB 1.725 43.855 42.059 0.117 0.000 1.209 74 L HN 0.377 nan 8.230 nan 0.000 0.423 75 V N 2.249 122.137 119.914 -0.044 0.000 2.630 75 V HA 0.249 4.370 4.120 0.002 0.000 0.305 75 V C -0.119 175.829 176.094 -0.243 0.000 1.046 75 V CA -0.684 61.465 62.300 -0.251 0.000 0.934 75 V CB 2.128 33.620 31.823 -0.551 0.000 1.003 75 V HN 0.684 nan 8.190 nan 0.000 0.451 76 D N 2.693 122.934 120.400 -0.265 0.000 2.454 76 D HA 0.258 4.899 4.640 0.002 0.000 0.225 76 D C -0.228 175.982 176.300 -0.149 0.000 1.081 76 D CA -0.296 53.627 54.000 -0.127 0.000 0.864 76 D CB 0.910 41.689 40.800 -0.036 0.000 1.040 76 D HN 0.402 nan 8.370 nan 0.000 0.517 77 F N 2.517 122.528 119.950 0.101 0.000 2.765 77 F HA 0.225 4.754 4.527 0.002 0.000 0.302 77 F C 2.270 178.149 175.800 0.133 0.000 1.111 77 F CA -0.300 57.784 58.000 0.139 0.000 1.359 77 F CB 0.021 39.137 39.000 0.193 0.000 1.097 77 F HN 0.285 nan 8.300 nan 0.000 0.577 78 R N 0.464 121.100 120.500 0.227 0.000 2.261 78 R HA -0.279 4.062 4.340 0.002 0.000 0.252 78 R C 1.962 178.359 176.300 0.163 0.000 1.116 78 R CA 2.281 58.473 56.100 0.154 0.000 0.942 78 R CB -0.441 29.913 30.300 0.090 0.000 0.932 78 R HN 0.205 nan 8.270 nan 0.000 0.441 79 E N 0.144 120.443 120.200 0.165 0.000 2.107 79 E HA -0.126 4.225 4.350 0.002 0.000 0.191 79 E C 1.971 178.684 176.600 0.188 0.000 0.982 79 E CA 0.664 57.154 56.400 0.150 0.000 0.809 79 E CB -0.233 29.546 29.700 0.131 0.000 0.756 79 E HN 0.183 nan 8.360 nan 0.000 0.459 80 L N 1.794 123.186 121.223 0.282 0.000 2.093 80 L HA -0.107 4.235 4.340 0.002 0.000 0.208 80 L C 1.524 178.597 176.870 0.337 0.000 1.085 80 L CA 1.605 56.636 54.840 0.320 0.000 0.755 80 L CB -0.587 41.757 42.059 0.475 0.000 0.904 80 L HN -0.046 nan 8.230 nan 0.000 0.435 81 N N 0.274 119.169 118.700 0.326 0.000 2.084 81 N HA -0.167 4.574 4.740 0.002 0.000 0.190 81 N C 1.719 177.310 175.510 0.135 0.000 1.030 81 N CA 1.458 54.639 53.050 0.219 0.000 0.849 81 N CB -0.243 38.343 38.487 0.165 0.000 1.012 81 N HN 0.393 nan 8.380 nan 0.000 0.423 82 K N 0.359 120.831 120.400 0.119 0.000 2.281 82 K HA -0.012 4.309 4.320 0.002 0.000 0.203 82 K C 1.444 178.088 176.600 0.073 0.000 1.046 82 K CA 0.855 57.189 56.287 0.078 0.000 0.938 82 K CB 0.054 32.596 32.500 0.070 0.000 0.737 82 K HN 0.191 nan 8.250 nan 0.000 0.458 83 R N -0.122 120.439 120.500 0.101 0.000 2.362 83 R HA 0.085 4.426 4.340 0.002 0.000 0.227 83 R C 0.059 176.419 176.300 0.099 0.000 0.905 83 R CA 0.146 56.291 56.100 0.074 0.000 1.067 83 R CB 0.771 31.099 30.300 0.048 0.000 1.078 83 R HN -0.034 nan 8.270 nan 0.000 0.516 84 T N 2.185 116.835 114.554 0.160 0.000 2.882 84 T HA 0.088 4.439 4.350 0.002 0.000 0.287 84 T C -0.030 174.684 174.700 0.025 0.000 0.992 84 T CA -0.622 61.600 62.100 0.203 0.000 1.076 84 T CB 1.521 70.615 68.868 0.378 0.000 0.961 84 T HN 0.214 nan 8.240 nan 0.000 0.490 85 Q N 2.373 122.125 119.800 -0.079 0.000 2.469 85 Q HA 0.034 4.375 4.340 0.002 0.000 0.279 85 Q C -0.738 175.024 176.000 -0.398 0.000 1.097 85 Q CA -0.128 55.522 55.803 -0.254 0.000 0.951 85 Q CB 0.368 28.883 28.738 -0.372 0.000 1.297 85 Q HN 0.440 nan 8.270 nan 0.000 0.465 86 D N 1.037 121.250 120.400 -0.312 0.000 2.362 86 D HA 0.239 4.880 4.640 0.002 0.000 0.242 86 D C -0.718 175.302 176.300 -0.467 0.000 1.132 86 D CA 0.262 54.116 54.000 -0.244 0.000 0.907 86 D CB 0.413 41.155 40.800 -0.097 0.000 1.195 86 D HN 0.355 nan 8.370 nan 0.000 0.429 87 F N -0.098 119.811 119.950 -0.069 0.000 2.575 87 F HA 0.267 4.795 4.527 0.002 0.000 0.330 87 F C 0.593 176.438 175.800 0.075 0.000 1.056 87 F CA -1.199 56.786 58.000 -0.025 0.000 0.964 87 F CB 1.070 39.999 39.000 -0.119 0.000 1.258 87 F HN 0.279 nan 8.300 nan 0.000 0.484 88 W N 2.579 123.949 121.300 0.117 0.000 2.170 88 W HA 0.050 4.711 4.660 0.002 0.000 0.342 88 W C -0.079 176.473 176.519 0.054 0.000 1.294 88 W CA -0.472 56.907 57.345 0.057 0.000 1.246 88 W CB 0.695 30.181 29.460 0.043 0.000 1.156 88 W HN 0.413 nan 8.180 nan 0.000 0.572 89 E N 3.450 122.986 120.200 -1.106 0.000 2.417 89 E HA -0.066 4.285 4.350 0.002 0.000 0.261 89 E C 1.271 177.467 176.600 -0.672 0.000 1.000 89 E CA 0.214 56.104 56.400 -0.851 0.000 0.919 89 E CB 1.115 30.248 29.700 -0.946 0.000 0.955 89 E HN 0.499 nan 8.360 nan 0.000 0.455 90 V N 2.331 122.058 119.914 -0.311 0.000 2.220 90 V HA -0.268 3.853 4.120 0.002 0.000 0.250 90 V C 0.875 176.905 176.094 -0.106 0.000 1.053 90 V CA 2.029 64.235 62.300 -0.157 0.000 1.019 90 V CB -0.625 31.133 31.823 -0.108 0.000 0.646 90 V HN 0.649 nan 8.190 nan 0.000 0.455 91 Q N 0.686 120.441 119.800 -0.074 0.000 2.759 91 Q HA 0.460 4.801 4.340 0.002 0.000 0.225 91 Q C -0.984 175.026 176.000 0.017 0.000 0.823 91 Q CA -0.334 55.471 55.803 0.004 0.000 0.828 91 Q CB 0.683 29.479 28.738 0.097 0.000 1.425 91 Q HN 0.848 nan 8.270 nan 0.000 0.449 92 L N 1.146 122.339 121.223 -0.050 0.000 2.385 92 L HA 0.997 5.338 4.340 0.002 0.000 0.281 92 L C 0.415 177.305 176.870 0.033 0.000 1.106 92 L CA 0.152 54.975 54.840 -0.028 0.000 0.856 92 L CB 0.217 42.220 42.059 -0.092 0.000 1.186 92 L HN 0.684 nan 8.230 nan 0.000 0.453 93 G N 3.961 112.795 108.800 0.057 0.000 3.187 93 G HA2 0.192 4.154 3.960 0.002 0.000 0.682 93 G HA3 0.192 4.154 3.960 0.002 0.000 0.682 93 G C -1.168 173.794 174.900 0.104 0.000 1.266 93 G CA -0.392 44.747 45.100 0.066 0.000 0.902 93 G HN 1.183 nan 8.290 nan 0.000 0.589 94 I N 0.525 121.140 120.570 0.075 0.000 2.740 94 I HA 0.926 5.097 4.170 0.002 0.000 0.303 94 I C -2.185 173.943 176.117 0.019 0.000 1.044 94 I CA -2.838 58.510 61.300 0.079 0.000 1.064 94 I CB 1.782 39.779 38.000 -0.004 0.000 1.249 94 I HN 0.360 nan 8.210 nan 0.000 0.433 95 P HA 0.172 nan 4.420 nan 0.000 0.271 95 P C -1.097 176.158 177.300 -0.076 0.000 1.218 95 P CA 0.087 63.121 63.100 -0.111 0.000 0.780 95 P CB 0.284 31.801 31.700 -0.305 0.000 0.901 96 H N 3.183 122.097 119.070 -0.261 0.000 2.487 96 H HA 0.151 4.708 4.556 0.002 0.000 0.333 96 H C -1.667 173.332 175.328 -0.548 0.000 1.114 96 H CA -1.943 53.867 56.048 -0.397 0.000 1.310 96 H CB 1.409 30.916 29.762 -0.426 0.000 1.462 96 H HN 0.208 nan 8.280 nan 0.000 0.516 97 P HA -0.146 nan 4.420 nan 0.000 0.216 97 P C 1.036 177.952 177.300 -0.639 0.000 1.150 97 P CA 1.949 64.430 63.100 -1.031 0.000 0.843 97 P CB 0.036 30.577 31.700 -1.932 0.000 0.787 98 A N -0.584 122.003 122.820 -0.388 0.000 2.125 98 A HA -0.018 4.304 4.320 0.002 0.000 0.219 98 A C 2.257 180.046 177.584 0.342 0.000 1.156 98 A CA 1.790 53.935 52.037 0.180 0.000 0.671 98 A CB -1.517 17.721 19.000 0.396 0.000 0.794 98 A HN 0.330 nan 8.150 nan 0.000 0.459 99 G N -1.121 107.672 108.800 -0.012 0.000 2.887 99 G HA2 0.357 4.318 3.960 0.002 0.000 0.211 99 G HA3 0.357 4.318 3.960 0.002 0.000 0.211 99 G C 0.570 175.514 174.900 0.073 0.000 1.152 99 G CA -0.303 44.742 45.100 -0.091 0.000 0.769 99 G HN 0.380 nan 8.290 nan 0.000 0.541 100 L N 0.531 121.764 121.223 0.016 0.000 2.464 100 L HA 0.333 4.674 4.340 0.002 0.000 0.264 100 L C 0.357 177.225 176.870 -0.004 0.000 1.199 100 L CA -0.218 54.561 54.840 -0.100 0.000 0.818 100 L CB 0.806 42.653 42.059 -0.353 0.000 1.102 100 L HN -0.014 nan 8.230 nan 0.000 0.473 101 K N 1.007 121.321 120.400 -0.143 0.000 2.106 101 K HA 0.317 4.638 4.320 0.002 0.000 0.246 101 K C -0.595 175.791 176.600 -0.356 0.000 0.987 101 K CA -0.939 55.292 56.287 -0.093 0.000 0.904 101 K CB 1.273 33.749 32.500 -0.041 0.000 1.071 101 K HN 0.440 nan 8.250 nan 0.000 0.453 102 K N 1.542 121.866 120.400 -0.127 0.000 2.355 102 K HA 0.178 4.499 4.320 0.002 0.000 0.270 102 K C -0.445 176.085 176.600 -0.117 0.000 1.003 102 K CA -0.238 55.992 56.287 -0.095 0.000 0.957 102 K CB 0.514 33.110 32.500 0.160 0.000 0.939 102 K HN 0.198 nan 8.250 nan 0.000 0.482 103 K N 2.205 122.544 120.400 -0.101 0.000 2.464 103 K HA 0.134 4.455 4.320 0.002 0.000 0.253 103 K C -0.018 176.568 176.600 -0.023 0.000 0.933 103 K CA -0.926 55.317 56.287 -0.073 0.000 0.801 103 K CB 1.872 34.305 32.500 -0.113 0.000 1.271 103 K HN 0.524 nan 8.250 nan 0.000 0.430 104 K N 0.538 120.916 120.400 -0.037 0.000 2.076 104 K HA 0.100 4.422 4.320 0.002 0.000 0.204 104 K C -0.024 176.532 176.600 -0.075 0.000 1.051 104 K CA 1.220 57.487 56.287 -0.033 0.000 0.949 104 K CB 0.341 32.818 32.500 -0.038 0.000 0.726 104 K HN 0.448 nan 8.250 nan 0.000 0.443 105 S N -0.226 115.360 115.700 -0.191 0.000 2.557 105 S HA 0.572 5.044 4.470 0.002 0.000 0.291 105 S C -1.495 172.905 174.600 -0.334 0.000 1.116 105 S CA -0.958 57.016 58.200 -0.377 0.000 0.992 105 S CB 2.312 64.971 63.200 -0.901 0.000 1.028 105 S HN -0.076 nan 8.310 nan 0.000 0.484 106 V N 2.164 122.017 119.914 -0.101 0.000 2.789 106 V HA 0.854 4.976 4.120 0.002 0.000 0.311 106 V C -0.070 176.024 176.094 -0.000 0.000 1.073 106 V CA -0.602 61.643 62.300 -0.093 0.000 0.921 106 V CB 2.095 33.720 31.823 -0.330 0.000 1.009 106 V HN 0.918 nan 8.190 nan 0.000 0.426 107 T N 2.353 116.912 114.554 0.009 0.000 2.916 107 T HA 0.692 5.043 4.350 0.002 0.000 0.305 107 T C -1.491 173.156 174.700 -0.088 0.000 1.119 107 T CA -0.447 61.663 62.100 0.016 0.000 1.008 107 T CB 1.890 70.841 68.868 0.138 0.000 1.129 107 T HN 0.404 nan 8.240 nan 0.000 0.480 108 V N 5.321 125.191 119.914 -0.072 0.000 2.334 108 V HA 0.460 4.581 4.120 0.002 0.000 0.281 108 V C -0.101 175.923 176.094 -0.116 0.000 1.016 108 V CA -0.732 61.477 62.300 -0.150 0.000 0.832 108 V CB 0.879 32.652 31.823 -0.083 0.000 0.999 108 V HN 0.777 nan 8.190 nan 0.000 0.439 109 L N 5.675 126.804 121.223 -0.157 0.000 2.289 109 L HA 0.592 4.933 4.340 0.002 0.000 0.285 109 L C 0.003 176.796 176.870 -0.128 0.000 1.049 109 L CA -0.410 54.364 54.840 -0.109 0.000 0.804 109 L CB 1.512 43.516 42.059 -0.092 0.000 1.195 109 L HN 0.710 nan 8.230 nan 0.000 0.428 110 D N 2.924 123.275 120.400 -0.082 0.000 2.256 110 D HA 0.321 4.963 4.640 0.002 0.000 0.246 110 D C -0.683 175.591 176.300 -0.043 0.000 1.042 110 D CA -0.519 53.437 54.000 -0.073 0.000 0.841 110 D CB 2.643 43.405 40.800 -0.064 0.000 1.223 110 D HN 0.099 nan 8.370 nan 0.000 0.470 111 V N 1.836 121.733 119.914 -0.028 0.000 2.432 111 V HA 0.397 4.518 4.120 0.002 0.000 0.271 111 V C 1.334 177.409 176.094 -0.031 0.000 1.046 111 V CA -0.511 61.795 62.300 0.011 0.000 0.945 111 V CB 1.012 32.906 31.823 0.119 0.000 0.992 111 V HN 0.719 nan 8.190 nan 0.000 0.471 112 G N 2.810 111.605 108.800 -0.009 0.000 2.406 112 G HA2 0.292 4.253 3.960 0.002 0.000 0.251 112 G HA3 0.292 4.253 3.960 0.002 0.000 0.251 112 G C 0.076 174.961 174.900 -0.025 0.000 1.271 112 G CA -0.280 44.806 45.100 -0.024 0.000 0.859 112 G HN 0.903 nan 8.290 nan 0.000 0.540 113 D N 0.755 121.109 120.400 -0.078 0.000 2.755 113 D HA -0.254 4.387 4.640 0.002 0.000 0.227 113 D C 1.593 177.850 176.300 -0.070 0.000 1.211 113 D CA 0.852 54.794 54.000 -0.095 0.000 0.663 113 D CB -0.955 39.870 40.800 0.040 0.000 0.983 113 D HN 0.632 nan 8.370 nan 0.000 0.407 114 A N 0.185 122.870 122.820 -0.226 0.000 1.859 114 A HA -0.257 4.064 4.320 0.002 0.000 0.217 114 A C 1.821 179.395 177.584 -0.017 0.000 1.198 114 A CA 1.293 53.179 52.037 -0.252 0.000 0.629 114 A CB -0.516 17.934 19.000 -0.916 0.000 0.830 114 A HN 0.405 nan 8.150 nan 0.000 0.446 115 Y N -0.891 119.243 120.300 -0.276 0.000 2.181 115 Y HA -0.117 4.435 4.550 0.002 0.000 0.288 115 Y C 2.220 178.305 175.900 0.308 0.000 1.146 115 Y CA 0.288 58.388 58.100 -0.000 0.000 1.164 115 Y CB -1.237 37.173 38.460 -0.083 0.000 0.982 115 Y HN 0.415 nan 8.280 nan 0.000 0.515 116 F N -0.898 119.191 119.950 0.231 0.000 2.699 116 F HA -0.104 4.424 4.527 0.003 0.000 0.298 116 F C 1.730 177.631 175.800 0.170 0.000 1.154 116 F CA 0.284 58.401 58.000 0.195 0.000 1.457 116 F CB -0.036 39.054 39.000 0.150 0.000 1.106 116 F HN -0.058 nan 8.300 nan 0.000 0.585 117 S N -0.282 115.640 115.700 0.370 0.000 2.556 117 S HA 0.127 4.598 4.470 0.002 0.000 0.216 117 S C 0.279 175.040 174.600 0.268 0.000 0.970 117 S CA 0.045 58.413 58.200 0.279 0.000 0.912 117 S CB 0.291 63.643 63.200 0.254 0.000 0.790 117 S HN -0.106 nan 8.310 nan 0.000 0.504 118 V N 4.325 124.421 119.914 0.304 0.000 2.487 118 V HA 0.406 4.527 4.120 0.002 0.000 0.298 118 V C -2.449 173.760 176.094 0.192 0.000 1.028 118 V CA -2.297 60.146 62.300 0.238 0.000 0.860 118 V CB 1.996 33.983 31.823 0.273 0.000 0.991 118 V HN 0.044 nan 8.190 nan 0.000 0.427 119 P HA 0.199 nan 4.420 nan 0.000 0.274 119 P C -0.911 176.454 177.300 0.108 0.000 1.231 119 P CA -0.256 62.914 63.100 0.117 0.000 0.790 119 P CB 1.405 33.163 31.700 0.097 0.000 0.951 120 L N 2.111 123.391 121.223 0.095 0.000 2.325 120 L HA 0.333 4.674 4.340 0.002 0.000 0.278 120 L C 0.148 177.069 176.870 0.084 0.000 1.023 120 L CA -0.560 54.325 54.840 0.075 0.000 0.811 120 L CB 1.398 43.484 42.059 0.045 0.000 1.249 120 L HN 0.364 nan 8.230 nan 0.000 0.431 121 D N 3.169 123.625 120.400 0.093 0.000 2.662 121 D HA -0.151 4.490 4.640 0.002 0.000 0.237 121 D C 1.207 177.581 176.300 0.124 0.000 1.154 121 D CA 0.759 54.827 54.000 0.114 0.000 0.861 121 D CB 0.690 41.571 40.800 0.134 0.000 1.146 121 D HN 0.664 nan 8.370 nan 0.000 0.518 122 E N 2.758 123.011 120.200 0.089 0.000 2.114 122 E HA -0.282 4.070 4.350 0.002 0.000 0.199 122 E C 0.603 177.238 176.600 0.058 0.000 1.008 122 E CA 1.454 57.892 56.400 0.063 0.000 0.810 122 E CB 0.182 29.910 29.700 0.047 0.000 0.739 122 E HN 0.553 nan 8.360 nan 0.000 0.456 123 D N -0.798 119.655 120.400 0.088 0.000 2.350 123 D HA -0.112 4.530 4.640 0.002 0.000 0.216 123 D C 1.175 177.525 176.300 0.084 0.000 0.968 123 D CA 0.532 54.578 54.000 0.077 0.000 0.894 123 D CB -0.145 40.723 40.800 0.115 0.000 0.909 123 D HN 0.235 nan 8.370 nan 0.000 0.520 124 F N 0.637 120.572 119.950 -0.025 0.000 2.731 124 F HA 0.201 4.729 4.527 0.003 0.000 0.298 124 F C 1.897 177.621 175.800 -0.127 0.000 1.106 124 F CA -0.107 57.895 58.000 0.004 0.000 1.329 124 F CB 0.302 39.346 39.000 0.074 0.000 1.100 124 F HN -0.274 nan 8.300 nan 0.000 0.592 125 R N 1.045 121.506 120.500 -0.065 0.000 2.096 125 R HA -0.151 4.191 4.340 0.002 0.000 0.235 125 R C 2.376 178.566 176.300 -0.182 0.000 1.127 125 R CA 1.590 57.646 56.100 -0.072 0.000 0.968 125 R CB -0.430 29.868 30.300 -0.004 0.000 0.861 125 R HN 0.283 nan 8.270 nan 0.000 0.440 126 K N 0.375 120.577 120.400 -0.331 0.000 2.152 126 K HA -0.193 4.128 4.320 0.002 0.000 0.206 126 K C 1.134 177.552 176.600 -0.303 0.000 1.048 126 K CA 1.613 57.724 56.287 -0.294 0.000 0.933 126 K CB -0.398 31.898 32.500 -0.340 0.000 0.721 126 K HN 0.265 nan 8.250 nan 0.000 0.447 127 Y N 2.720 122.757 120.300 -0.439 0.000 2.632 127 Y HA -0.021 4.530 4.550 0.002 0.000 0.301 127 Y C 2.124 177.887 175.900 -0.228 0.000 1.172 127 Y CA 1.178 58.935 58.100 -0.572 0.000 1.328 127 Y CB -0.454 37.399 38.460 -1.012 0.000 1.016 127 Y HN 0.343 nan 8.280 nan 0.000 0.529 128 T N -3.087 111.481 114.554 0.023 0.000 3.069 128 T HA 0.481 4.833 4.350 0.002 0.000 0.252 128 T C 0.941 175.912 174.700 0.451 0.000 1.053 128 T CA 0.015 62.288 62.100 0.287 0.000 0.964 128 T CB -0.422 68.614 68.868 0.279 0.000 1.005 128 T HN 0.191 nan 8.240 nan 0.000 0.532 129 A N 1.977 124.964 122.820 0.278 0.000 2.584 129 A HA 0.482 4.804 4.320 0.002 0.000 0.239 129 A C 0.043 177.824 177.584 0.327 0.000 1.043 129 A CA -0.223 51.944 52.037 0.217 0.000 0.756 129 A CB -0.733 18.348 19.000 0.135 0.000 0.963 129 A HN 0.749 nan 8.150 nan 0.000 0.511 130 F N -0.287 119.764 119.950 0.167 0.000 2.675 130 F HA 0.885 5.414 4.527 0.002 0.000 0.324 130 F C -0.252 175.619 175.800 0.119 0.000 1.106 130 F CA -0.961 57.120 58.000 0.136 0.000 0.970 130 F CB 1.406 40.491 39.000 0.143 0.000 1.385 130 F HN 0.293 nan 8.300 nan 0.000 0.489 131 T N 2.049 116.773 114.554 0.284 0.000 2.937 131 T HA 0.506 4.857 4.350 0.002 0.000 0.297 131 T C -0.700 174.115 174.700 0.191 0.000 0.991 131 T CA -0.335 61.833 62.100 0.114 0.000 0.990 131 T CB 1.201 70.102 68.868 0.055 0.000 0.991 131 T HN 0.575 nan 8.240 nan 0.000 0.440 132 I N 6.226 126.892 120.570 0.160 0.000 2.396 132 I HA 0.259 4.431 4.170 0.002 0.000 0.289 132 I C -1.806 174.328 176.117 0.029 0.000 1.056 132 I CA -2.059 59.313 61.300 0.120 0.000 1.365 132 I CB 0.854 38.936 38.000 0.137 0.000 1.407 132 I HN 0.310 nan 8.210 nan 0.000 0.509 133 P HA 0.103 nan 4.420 nan 0.000 0.275 133 P C -0.345 176.922 177.300 -0.055 0.000 1.228 133 P CA -0.404 62.673 63.100 -0.038 0.000 0.786 133 P CB 0.986 32.648 31.700 -0.063 0.000 0.927 134 S N 2.389 118.052 115.700 -0.061 0.000 2.608 134 S HA 0.248 4.719 4.470 0.002 0.000 0.261 134 S C 0.690 175.244 174.600 -0.077 0.000 1.314 134 S CA -0.731 57.431 58.200 -0.064 0.000 0.992 134 S CB -0.160 63.004 63.200 -0.061 0.000 0.935 134 S HN 0.335 nan 8.310 nan 0.000 0.564 135 I N 2.470 122.997 120.570 -0.072 0.000 2.662 135 I HA -0.029 4.142 4.170 0.002 0.000 0.285 135 I C 0.602 176.670 176.117 -0.081 0.000 1.161 135 I CA 0.288 61.543 61.300 -0.076 0.000 1.415 135 I CB -0.616 37.346 38.000 -0.063 0.000 1.385 135 I HN 0.696 nan 8.210 nan 0.000 0.552 136 N N 4.912 123.552 118.700 -0.098 0.000 2.713 136 N HA -0.275 4.467 4.740 0.002 0.000 0.251 136 N C 0.507 175.949 175.510 -0.114 0.000 1.117 136 N CA 1.291 54.275 53.050 -0.110 0.000 0.770 136 N CB -0.990 37.447 38.487 -0.084 0.000 1.137 136 N HN 0.832 nan 8.380 nan 0.000 0.566 137 N N -1.125 117.509 118.700 -0.111 0.000 2.948 137 N HA -0.188 4.554 4.740 0.002 0.000 0.239 137 N C 0.768 176.230 175.510 -0.079 0.000 0.954 137 N CA 1.567 54.554 53.050 -0.104 0.000 0.941 137 N CB -0.939 37.468 38.487 -0.132 0.000 1.101 137 N HN 0.551 nan 8.380 nan 0.000 0.579 138 E N -0.161 119.997 120.200 -0.071 0.000 2.150 138 E HA 0.024 4.375 4.350 0.002 0.000 0.193 138 E C 0.736 177.304 176.600 -0.052 0.000 0.985 138 E CA 1.601 57.967 56.400 -0.058 0.000 0.814 138 E CB 0.162 29.830 29.700 -0.053 0.000 0.752 138 E HN 0.638 nan 8.360 nan 0.000 0.466 139 T N -2.894 111.628 114.554 -0.054 0.000 2.926 139 T HA 0.609 4.960 4.350 0.002 0.000 0.289 139 T C -2.717 171.950 174.700 -0.054 0.000 1.054 139 T CA -2.368 59.702 62.100 -0.051 0.000 1.015 139 T CB 1.437 70.276 68.868 -0.048 0.000 1.167 139 T HN -0.299 nan 8.240 nan 0.000 0.526 140 P HA 0.311 nan 4.420 nan 0.000 0.266 140 P C 0.479 177.739 177.300 -0.066 0.000 1.195 140 P CA 0.088 63.152 63.100 -0.060 0.000 0.768 140 P CB 0.062 31.724 31.700 -0.063 0.000 0.838 141 G N 2.112 110.873 108.800 -0.066 0.000 2.580 141 G HA2 0.446 4.407 3.960 0.002 0.000 0.278 141 G HA3 0.446 4.407 3.960 0.002 0.000 0.278 141 G C -0.459 174.378 174.900 -0.104 0.000 1.212 141 G CA -0.769 44.291 45.100 -0.067 0.000 0.939 141 G HN 0.431 nan 8.290 nan 0.000 0.513 142 I N 0.273 120.777 120.570 -0.110 0.000 2.342 142 I HA 0.307 4.479 4.170 0.002 0.000 0.291 142 I C 0.470 176.393 176.117 -0.323 0.000 1.010 142 I CA -0.215 60.954 61.300 -0.218 0.000 1.308 142 I CB 1.231 39.133 38.000 -0.162 0.000 1.400 142 I HN 0.235 nan 8.210 nan 0.000 0.488 143 R N 5.572 125.788 120.500 -0.475 0.000 2.393 143 R HA 0.608 4.949 4.340 0.002 0.000 0.310 143 R C -1.497 174.352 176.300 -0.752 0.000 0.968 143 R CA -0.581 55.233 56.100 -0.477 0.000 0.867 143 R CB 1.605 31.732 30.300 -0.288 0.000 1.124 143 R HN 0.426 nan 8.270 nan 0.000 0.450 144 Y N 0.459 120.331 120.300 -0.714 0.000 2.602 144 Y HA 0.306 4.858 4.550 0.003 0.000 0.342 144 Y C -0.061 175.506 175.900 -0.554 0.000 1.029 144 Y CA -0.889 56.781 58.100 -0.717 0.000 1.080 144 Y CB 2.095 39.967 38.460 -0.979 0.000 1.284 144 Y HN 0.460 nan 8.280 nan 0.000 0.485 145 Q N -0.063 119.699 119.800 -0.063 0.000 2.451 145 Q HA 0.517 4.858 4.340 0.002 0.000 0.281 145 Q C -1.984 174.081 176.000 0.109 0.000 1.099 145 Q CA -1.105 54.758 55.803 0.100 0.000 0.806 145 Q CB 2.126 30.895 28.738 0.051 0.000 1.419 145 Q HN 0.682 nan 8.270 nan 0.000 0.427 146 Y N 1.184 121.582 120.300 0.163 0.000 2.336 146 Y HA 0.153 4.704 4.550 0.002 0.000 0.331 146 Y C 0.954 176.866 175.900 0.021 0.000 1.211 146 Y CA 0.218 58.369 58.100 0.085 0.000 1.346 146 Y CB 0.887 39.390 38.460 0.072 0.000 1.271 146 Y HN 0.720 nan 8.280 nan 0.000 0.538 147 N N 0.751 119.518 118.700 0.110 0.000 2.197 147 N HA 0.087 4.829 4.740 0.002 0.000 0.201 147 N C -0.637 174.937 175.510 0.107 0.000 1.148 147 N CA 0.388 53.485 53.050 0.079 0.000 0.883 147 N CB 0.912 39.417 38.487 0.029 0.000 1.012 147 N HN 0.366 nan 8.380 nan 0.000 0.507 148 V N -2.295 117.718 119.914 0.165 0.000 3.126 148 V HA 0.524 4.645 4.120 0.002 0.000 0.314 148 V C 0.124 176.346 176.094 0.213 0.000 1.138 148 V CA -1.185 61.229 62.300 0.190 0.000 1.034 148 V CB 1.645 33.588 31.823 0.201 0.000 1.075 148 V HN -0.145 nan 8.190 nan 0.000 0.442 149 L N 2.582 123.936 121.223 0.218 0.000 2.654 149 L HA 0.263 4.604 4.340 0.002 0.000 0.271 149 L C -2.182 174.799 176.870 0.184 0.000 1.169 149 L CA -0.900 54.019 54.840 0.131 0.000 0.947 149 L CB 0.008 42.103 42.059 0.060 0.000 1.232 149 L HN 0.499 nan 8.230 nan 0.000 0.486 150 P HA 0.121 nan 4.420 nan 0.000 0.275 150 P C -0.886 176.487 177.300 0.123 0.000 1.228 150 P CA -0.516 62.501 63.100 -0.139 0.000 0.786 150 P CB 0.587 31.809 31.700 -0.798 0.000 0.927 151 Q N 1.012 121.007 119.800 0.326 0.000 2.311 151 Q HA 0.362 4.704 4.340 0.002 0.000 0.272 151 Q C 1.230 177.396 176.000 0.276 0.000 1.012 151 Q CA 0.970 56.957 55.803 0.306 0.000 0.891 151 Q CB -0.044 28.797 28.738 0.170 0.000 1.201 151 Q HN 0.849 nan 8.270 nan 0.000 0.391 152 G N 2.015 110.948 108.800 0.222 0.000 2.213 152 G HA2 -0.262 3.699 3.960 0.002 0.000 0.236 152 G HA3 -0.262 3.699 3.960 0.002 0.000 0.236 152 G C -0.494 174.526 174.900 0.198 0.000 0.991 152 G CA -0.156 45.090 45.100 0.244 0.000 0.629 152 G HN 0.661 nan 8.290 nan 0.000 0.517 153 W N 2.113 123.260 121.300 -0.254 0.000 2.251 153 W HA 0.633 5.294 4.660 0.002 0.000 0.329 153 W C 1.355 177.709 176.519 -0.276 0.000 1.234 153 W CA -0.234 56.838 57.345 -0.456 0.000 1.228 153 W CB 0.928 29.929 29.460 -0.765 0.000 1.135 153 W HN 0.044 nan 8.180 nan 0.000 0.576 154 K N 2.303 122.143 120.400 -0.932 0.000 2.147 154 K HA -0.096 4.226 4.320 0.002 0.000 0.205 154 K C 1.712 177.630 176.600 -1.136 0.000 1.049 154 K CA 1.738 57.551 56.287 -0.789 0.000 0.936 154 K CB -0.528 31.664 32.500 -0.514 0.000 0.722 154 K HN 0.750 nan 8.250 nan 0.000 0.446 155 G N -0.545 106.917 108.800 -2.231 0.000 2.712 155 G HA2 -0.073 3.888 3.960 0.002 0.000 0.212 155 G HA3 -0.073 3.888 3.960 0.002 0.000 0.212 155 G C 1.217 175.349 174.900 -1.280 0.000 1.142 155 G CA 0.113 43.800 45.100 -2.356 0.000 0.789 155 G HN 0.210 nan 8.290 nan 0.000 0.535 156 S N 1.578 116.773 115.700 -0.841 0.000 2.355 156 S HA -0.049 4.423 4.470 0.002 0.000 0.222 156 S C 0.171 174.401 174.600 -0.616 0.000 1.031 156 S CA 1.336 59.135 58.200 -0.669 0.000 0.993 156 S CB -0.580 62.038 63.200 -0.971 0.000 0.859 156 S HN 0.339 nan 8.310 nan 0.000 0.453 157 P HA -0.015 nan 4.420 nan 0.000 0.216 157 P C 1.328 178.557 177.300 -0.118 0.000 1.153 157 P CA 1.446 64.464 63.100 -0.137 0.000 0.848 157 P CB -0.171 31.474 31.700 -0.091 0.000 0.787 158 A N -0.196 122.462 122.820 -0.270 0.000 1.902 158 A HA -0.134 4.187 4.320 0.002 0.000 0.217 158 A C 2.362 179.852 177.584 -0.157 0.000 1.181 158 A CA 1.413 53.325 52.037 -0.208 0.000 0.623 158 A CB -1.533 17.301 19.000 -0.278 0.000 0.818 158 A HN 0.120 nan 8.150 nan 0.000 0.443 159 I N -2.141 118.281 120.570 -0.247 0.000 2.353 159 I HA -0.153 4.018 4.170 0.002 0.000 0.248 159 I C 2.311 178.404 176.117 -0.039 0.000 1.119 159 I CA 1.109 62.333 61.300 -0.127 0.000 1.417 159 I CB -0.306 37.615 38.000 -0.132 0.000 1.078 159 I HN 0.424 nan 8.210 nan 0.000 0.421 160 F N 1.866 121.748 119.950 -0.113 0.000 2.069 160 F HA -0.320 4.208 4.527 0.002 0.000 0.298 160 F C 2.627 178.418 175.800 -0.015 0.000 1.113 160 F CA 1.924 59.916 58.000 -0.013 0.000 1.214 160 F CB -0.254 38.806 39.000 0.100 0.000 0.978 160 F HN -0.022 nan 8.300 nan 0.000 0.474 161 Q N 0.508 120.327 119.800 0.031 0.000 2.124 161 Q HA -0.159 4.182 4.340 0.002 0.000 0.202 161 Q C 2.519 178.444 176.000 -0.125 0.000 0.977 161 Q CA 2.156 57.927 55.803 -0.053 0.000 0.850 161 Q CB -0.580 28.172 28.738 0.023 0.000 0.901 161 Q HN 0.558 nan 8.270 nan 0.000 0.429 162 S N -1.518 114.131 115.700 -0.085 0.000 2.383 162 S HA -0.089 4.383 4.470 0.002 0.000 0.227 162 S C 2.113 176.637 174.600 -0.126 0.000 1.026 162 S CA 1.166 59.327 58.200 -0.065 0.000 0.981 162 S CB -0.426 62.766 63.200 -0.014 0.000 0.818 162 S HN 0.243 nan 8.310 nan 0.000 0.472 163 S N 1.897 117.484 115.700 -0.187 0.000 2.368 163 S HA -0.033 4.438 4.470 0.002 0.000 0.225 163 S C 1.856 176.280 174.600 -0.295 0.000 1.030 163 S CA 1.620 59.688 58.200 -0.221 0.000 0.999 163 S CB -0.508 62.551 63.200 -0.235 0.000 0.844 163 S HN 0.580 nan 8.310 nan 0.000 0.459 164 M N 1.953 121.302 119.600 -0.419 0.000 2.132 164 M HA -0.061 4.420 4.480 0.002 0.000 0.263 164 M C 1.932 178.105 176.300 -0.213 0.000 1.065 164 M CA 1.632 56.712 55.300 -0.367 0.000 1.122 164 M CB -1.251 31.084 32.600 -0.443 0.000 1.365 164 M HN 0.141 nan 8.290 nan 0.000 0.411 165 T N 0.742 115.197 114.554 -0.164 0.000 2.746 165 T HA -0.147 4.205 4.350 0.002 0.000 0.267 165 T C 1.855 176.490 174.700 -0.108 0.000 1.039 165 T CA 1.620 63.662 62.100 -0.097 0.000 1.142 165 T CB -0.207 68.629 68.868 -0.053 0.000 0.866 165 T HN 0.435 nan 8.240 nan 0.000 0.444 166 K N 0.420 120.734 120.400 -0.143 0.000 2.057 166 K HA 0.040 4.361 4.320 0.002 0.000 0.207 166 K C 2.209 178.655 176.600 -0.257 0.000 1.049 166 K CA 1.069 57.255 56.287 -0.169 0.000 0.931 166 K CB -0.299 32.098 32.500 -0.172 0.000 0.714 166 K HN 0.358 nan 8.250 nan 0.000 0.440 167 I N 1.019 121.396 120.570 -0.321 0.000 2.439 167 I HA -0.233 3.938 4.170 0.002 0.000 0.251 167 I C 1.996 178.014 176.117 -0.165 0.000 1.139 167 I CA 0.889 61.919 61.300 -0.450 0.000 1.438 167 I CB -0.035 37.705 38.000 -0.434 0.000 1.085 167 I HN 0.105 nan 8.210 nan 0.000 0.427 168 L N -0.134 121.038 121.223 -0.084 0.000 2.313 168 L HA -0.084 4.257 4.340 0.002 0.000 0.214 168 L C 2.481 179.385 176.870 0.057 0.000 1.119 168 L CA 0.528 55.386 54.840 0.031 0.000 0.809 168 L CB -0.485 41.581 42.059 0.011 0.000 0.933 168 L HN 0.210 nan 8.230 nan 0.000 0.449 169 E N 0.700 120.894 120.200 -0.010 0.000 2.055 169 E HA -0.246 4.106 4.350 0.002 0.000 0.209 169 E C -0.237 176.360 176.600 -0.004 0.000 1.036 169 E CA 1.970 58.364 56.400 -0.011 0.000 0.849 169 E CB -1.498 28.177 29.700 -0.043 0.000 0.767 169 E HN 0.383 nan 8.360 nan 0.000 0.461 170 P HA -0.142 nan 4.420 nan 0.000 0.216 170 P C 1.428 178.678 177.300 -0.084 0.000 1.150 170 P CA 1.015 64.089 63.100 -0.042 0.000 0.837 170 P CB -0.234 31.455 31.700 -0.019 0.000 0.786 171 F N 0.432 120.238 119.950 -0.239 0.000 2.206 171 F HA -0.060 4.468 4.527 0.001 0.000 0.298 171 F C 2.170 177.904 175.800 -0.110 0.000 1.090 171 F CA 1.205 59.064 58.000 -0.235 0.000 1.323 171 F CB -0.146 38.701 39.000 -0.255 0.000 1.028 171 F HN -0.291 nan 8.300 nan 0.000 0.492 172 R N 0.137 120.672 120.500 0.058 0.000 2.092 172 R HA -0.152 4.189 4.340 0.002 0.000 0.231 172 R C 2.243 178.489 176.300 -0.091 0.000 1.119 172 R CA 1.499 57.600 56.100 0.002 0.000 0.970 172 R CB -0.326 30.006 30.300 0.052 0.000 0.864 172 R HN 0.246 nan 8.270 nan 0.000 0.440 173 K N 0.916 121.263 120.400 -0.090 0.000 2.116 173 K HA -0.120 4.202 4.320 0.002 0.000 0.203 173 K C 1.738 178.262 176.600 -0.127 0.000 1.052 173 K CA 1.151 57.387 56.287 -0.085 0.000 0.952 173 K CB 0.266 32.731 32.500 -0.058 0.000 0.729 173 K HN 0.149 nan 8.250 nan 0.000 0.446 174 Q N -0.274 119.408 119.800 -0.197 0.000 2.432 174 Q HA 0.004 4.345 4.340 0.002 0.000 0.205 174 Q C -0.309 175.516 176.000 -0.291 0.000 0.945 174 Q CA 0.632 56.300 55.803 -0.224 0.000 0.924 174 Q CB 0.357 28.948 28.738 -0.244 0.000 1.016 174 Q HN 0.247 nan 8.270 nan 0.000 0.503 175 N N 0.225 118.711 118.700 -0.355 0.000 2.672 175 N HA 0.088 4.829 4.740 0.002 0.000 0.295 175 N C -2.262 173.135 175.510 -0.188 0.000 1.924 175 N CA -0.826 52.015 53.050 -0.349 0.000 0.851 175 N CB 1.149 39.228 38.487 -0.679 0.000 1.281 175 N HN 0.009 nan 8.380 nan 0.000 0.494 176 P HA -0.089 nan 4.420 nan 0.000 0.225 176 P C -0.001 177.273 177.300 -0.043 0.000 1.148 176 P CA 1.169 64.229 63.100 -0.067 0.000 0.779 176 P CB 0.418 32.086 31.700 -0.054 0.000 0.780 177 D N -0.712 119.660 120.400 -0.047 0.000 2.355 177 D HA 0.041 4.683 4.640 0.002 0.000 0.218 177 D C 0.920 177.219 176.300 -0.003 0.000 1.004 177 D CA 0.334 54.320 54.000 -0.023 0.000 0.880 177 D CB 0.129 40.916 40.800 -0.022 0.000 0.911 177 D HN 0.236 nan 8.370 nan 0.000 0.528 178 I N 0.214 120.783 120.570 -0.001 0.000 2.648 178 I HA 0.443 4.615 4.170 0.002 0.000 0.304 178 I C -1.172 174.981 176.117 0.061 0.000 1.009 178 I CA -0.783 60.546 61.300 0.048 0.000 1.114 178 I CB 2.178 40.232 38.000 0.089 0.000 1.293 178 I HN -0.370 nan 8.210 nan 0.000 0.449 179 V N 7.746 127.703 119.914 0.072 0.000 2.680 179 V HA 0.592 4.714 4.120 0.002 0.000 0.309 179 V C -0.554 175.598 176.094 0.096 0.000 1.052 179 V CA -0.565 61.775 62.300 0.067 0.000 0.908 179 V CB 2.204 34.040 31.823 0.021 0.000 1.001 179 V HN 0.629 nan 8.190 nan 0.000 0.431 180 I N 6.215 126.856 120.570 0.118 0.000 2.512 180 I HA 0.354 4.525 4.170 0.002 0.000 0.287 180 I C -1.654 174.576 176.117 0.188 0.000 1.069 180 I CA -0.692 60.691 61.300 0.139 0.000 1.056 180 I CB 1.933 40.006 38.000 0.122 0.000 1.229 180 I HN 0.655 nan 8.210 nan 0.000 0.429 181 Y N 6.215 126.579 120.300 0.107 0.000 2.341 181 Y HA 0.462 5.014 4.550 0.002 0.000 0.337 181 Y C -0.533 175.533 175.900 0.276 0.000 1.014 181 Y CA -0.519 57.672 58.100 0.150 0.000 1.111 181 Y CB 1.214 39.717 38.460 0.071 0.000 1.194 181 Y HN 0.494 nan 8.280 nan 0.000 0.462 182 Q N 5.379 124.944 119.800 -0.391 0.000 2.241 182 Q HA 0.366 4.708 4.340 0.002 0.000 0.254 182 Q C -1.881 173.859 176.000 -0.434 0.000 0.917 182 Q CA -0.718 54.928 55.803 -0.261 0.000 0.919 182 Q CB 2.246 30.912 28.738 -0.120 0.000 1.237 182 Q HN 0.710 nan 8.270 nan 0.000 0.434 183 Y N 3.167 123.364 120.300 -0.172 0.000 2.358 183 Y HA 0.257 4.808 4.550 0.002 0.000 0.324 183 Y C -0.055 175.894 175.900 0.082 0.000 1.123 183 Y CA -0.518 57.566 58.100 -0.027 0.000 1.067 183 Y CB 0.776 39.337 38.460 0.167 0.000 1.230 183 Y HN 0.879 nan 8.280 nan 0.000 0.429 184 M N 1.335 120.592 119.600 -0.572 0.000 7.319 184 M HA -0.377 4.105 4.480 0.002 0.000 0.329 184 M C 0.434 176.662 176.300 -0.120 0.000 0.480 184 M CA 2.344 57.411 55.300 -0.387 0.000 1.311 184 M CB -0.874 31.417 32.600 -0.514 0.000 0.421 184 M HN 0.784 nan 8.290 nan 0.000 0.888 185 D N 0.412 120.696 120.400 -0.194 0.000 2.358 185 D HA 0.208 4.850 4.640 0.002 0.000 0.224 185 D C -0.431 175.843 176.300 -0.042 0.000 1.123 185 D CA 0.212 54.120 54.000 -0.152 0.000 0.833 185 D CB -0.301 40.280 40.800 -0.365 0.000 0.946 185 D HN 0.308 nan 8.370 nan 0.000 0.505 186 D N 0.441 120.839 120.400 -0.003 0.000 2.228 186 D HA 0.422 5.064 4.640 0.002 0.000 0.247 186 D C -0.102 176.134 176.300 -0.108 0.000 0.995 186 D CA -0.490 53.456 54.000 -0.089 0.000 0.903 186 D CB 2.371 43.095 40.800 -0.128 0.000 1.205 186 D HN 0.031 nan 8.370 nan 0.000 0.459 187 L N 1.706 122.778 121.223 -0.251 0.000 2.381 187 L HA 0.347 4.688 4.340 0.002 0.000 0.274 187 L C -1.225 175.469 176.870 -0.294 0.000 0.988 187 L CA -0.875 53.870 54.840 -0.159 0.000 0.824 187 L CB 1.307 43.313 42.059 -0.088 0.000 1.263 187 L HN 0.268 nan 8.230 nan 0.000 0.410 188 Y N 2.734 123.069 120.300 0.057 0.000 2.356 188 Y HA 0.504 5.055 4.550 0.001 0.000 0.334 188 Y C -0.098 175.791 175.900 -0.018 0.000 0.958 188 Y CA -0.813 57.294 58.100 0.011 0.000 1.196 188 Y CB 1.758 40.248 38.460 0.050 0.000 1.137 188 Y HN 0.149 nan 8.280 nan 0.000 0.485 189 V N 2.722 122.669 119.914 0.055 0.000 2.555 189 V HA 0.922 5.044 4.120 0.002 0.000 0.302 189 V C 0.175 176.313 176.094 0.074 0.000 1.038 189 V CA -0.765 61.574 62.300 0.065 0.000 0.887 189 V CB 1.706 33.555 31.823 0.042 0.000 0.991 189 V HN 0.880 nan 8.190 nan 0.000 0.434 190 G N 2.115 110.964 108.800 0.082 0.000 2.667 190 G HA2 0.762 4.724 3.960 0.002 0.000 0.298 190 G HA3 0.762 4.724 3.960 0.002 0.000 0.298 190 G C -0.863 174.089 174.900 0.086 0.000 1.377 190 G CA -0.123 45.010 45.100 0.055 0.000 0.964 190 G HN 1.041 nan 8.290 nan 0.000 0.493 191 S N -0.417 115.323 115.700 0.067 0.000 2.638 191 S HA 0.563 5.034 4.470 0.002 0.000 0.274 191 S C -1.154 173.443 174.600 -0.005 0.000 1.157 191 S CA -0.800 57.444 58.200 0.074 0.000 0.826 191 S CB 2.419 65.753 63.200 0.224 0.000 1.139 191 S HN 0.283 nan 8.310 nan 0.000 0.474 192 D N 1.154 121.558 120.400 0.007 0.000 2.722 192 D HA 0.314 4.956 4.640 0.002 0.000 0.239 192 D C -0.327 175.978 176.300 0.007 0.000 1.249 192 D CA -0.009 53.986 54.000 -0.008 0.000 0.830 192 D CB 0.014 40.810 40.800 -0.007 0.000 1.025 192 D HN 0.286 nan 8.370 nan 0.000 0.486 193 L N 0.871 122.111 121.223 0.028 0.000 2.379 193 L HA 0.295 4.636 4.340 0.002 0.000 0.269 193 L C 0.823 177.707 176.870 0.024 0.000 1.084 193 L CA -0.587 54.285 54.840 0.053 0.000 0.802 193 L CB 0.807 42.941 42.059 0.126 0.000 1.175 193 L HN -0.083 nan 8.230 nan 0.000 0.448 194 E N 0.784 121.007 120.200 0.038 0.000 2.390 194 E HA 0.173 4.525 4.350 0.002 0.000 0.261 194 E C 1.314 177.954 176.600 0.066 0.000 1.076 194 E CA -0.303 56.115 56.400 0.031 0.000 0.905 194 E CB 0.747 30.466 29.700 0.032 0.000 0.984 194 E HN 0.344 nan 8.360 nan 0.000 0.427 195 I N 1.146 121.748 120.570 0.053 0.000 2.290 195 I HA -0.315 3.856 4.170 0.002 0.000 0.253 195 I C 1.885 178.082 176.117 0.135 0.000 1.112 195 I CA 1.807 63.165 61.300 0.096 0.000 1.377 195 I CB -0.580 37.464 38.000 0.073 0.000 1.060 195 I HN 0.732 nan 8.210 nan 0.000 0.428 196 G N -0.099 108.757 108.800 0.094 0.000 2.404 196 G HA2 -0.193 3.769 3.960 0.002 0.000 0.214 196 G HA3 -0.193 3.769 3.960 0.002 0.000 0.214 196 G C 1.530 176.482 174.900 0.087 0.000 1.189 196 G CA 0.167 45.315 45.100 0.080 0.000 0.789 196 G HN 0.377 nan 8.290 nan 0.000 0.533 197 Q N -0.750 119.103 119.800 0.089 0.000 2.291 197 Q HA -0.104 4.237 4.340 0.002 0.000 0.205 197 Q C 2.160 178.228 176.000 0.113 0.000 0.970 197 Q CA 1.287 57.139 55.803 0.083 0.000 0.876 197 Q CB -0.095 28.685 28.738 0.070 0.000 0.935 197 Q HN 0.771 nan 8.270 nan 0.000 0.455 198 H N 0.589 119.683 119.070 0.041 0.000 2.343 198 H HA 0.069 4.628 4.556 0.005 0.000 0.303 198 H C 1.908 177.269 175.328 0.055 0.000 1.068 198 H CA 1.181 57.258 56.048 0.049 0.000 1.359 198 H CB 0.284 30.073 29.762 0.046 0.000 1.402 198 H HN -0.039 nan 8.280 nan 0.000 0.515 199 R N -0.410 120.127 120.500 0.063 0.000 2.127 199 R HA -0.106 4.236 4.340 0.002 0.000 0.238 199 R C 2.006 178.290 176.300 -0.026 0.000 1.134 199 R CA 1.674 57.771 56.100 -0.005 0.000 0.975 199 R CB -0.367 29.974 30.300 0.070 0.000 0.865 199 R HN 0.407 nan 8.270 nan 0.000 0.447 200 T N 1.034 115.593 114.554 0.008 0.000 2.821 200 T HA -0.051 4.301 4.350 0.002 0.000 0.267 200 T C 1.687 176.399 174.700 0.020 0.000 1.046 200 T CA 0.942 63.054 62.100 0.020 0.000 1.139 200 T CB 0.072 68.961 68.868 0.035 0.000 0.871 200 T HN 0.087 nan 8.240 nan 0.000 0.454 201 K N 1.132 121.534 120.400 0.004 0.000 2.103 201 K HA 0.104 4.426 4.320 0.002 0.000 0.204 201 K C 2.180 178.800 176.600 0.035 0.000 1.052 201 K CA 0.598 56.920 56.287 0.058 0.000 0.945 201 K CB -0.607 31.927 32.500 0.055 0.000 0.722 201 K HN 0.295 nan 8.250 nan 0.000 0.443 202 I N 1.962 122.460 120.570 -0.121 0.000 2.163 202 I HA -0.231 3.941 4.170 0.002 0.000 0.243 202 I C 2.001 178.075 176.117 -0.071 0.000 1.085 202 I CA 1.442 62.659 61.300 -0.139 0.000 1.347 202 I CB -0.979 36.910 38.000 -0.185 0.000 1.044 202 I HN 0.165 nan 8.210 nan 0.000 0.408 203 E N 0.857 121.039 120.200 -0.030 0.000 2.106 203 E HA -0.186 4.166 4.350 0.002 0.000 0.192 203 E C 2.077 178.691 176.600 0.023 0.000 0.984 203 E CA 0.876 57.274 56.400 -0.004 0.000 0.806 203 E CB -0.214 29.492 29.700 0.011 0.000 0.750 203 E HN 0.594 nan 8.360 nan 0.000 0.458 204 E N 0.710 120.950 120.200 0.066 0.000 2.150 204 E HA -0.109 4.243 4.350 0.002 0.000 0.193 204 E C 2.243 178.900 176.600 0.096 0.000 0.985 204 E CA 0.337 56.821 56.400 0.139 0.000 0.814 204 E CB -0.057 29.786 29.700 0.238 0.000 0.752 204 E HN 0.172 nan 8.360 nan 0.000 0.466 205 L N 0.967 122.124 121.223 -0.110 0.000 2.005 205 L HA -0.175 4.166 4.340 0.002 0.000 0.207 205 L C 2.528 179.279 176.870 -0.198 0.000 1.072 205 L CA 1.415 55.944 54.840 -0.518 0.000 0.744 205 L CB -0.142 41.536 42.059 -0.634 0.000 0.895 205 L HN 0.098 nan 8.230 nan 0.000 0.433 206 R N -0.749 119.684 120.500 -0.112 0.000 2.083 206 R HA -0.213 4.128 4.340 0.002 0.000 0.237 206 R C 2.216 178.513 176.300 -0.006 0.000 1.137 206 R CA 1.379 57.447 56.100 -0.053 0.000 0.951 206 R CB -0.412 29.867 30.300 -0.036 0.000 0.851 206 R HN 0.452 nan 8.270 nan 0.000 0.434 207 Q N -0.065 119.749 119.800 0.023 0.000 2.112 207 Q HA -0.226 4.116 4.340 0.002 0.000 0.206 207 Q C 2.036 178.093 176.000 0.095 0.000 0.987 207 Q CA 1.795 57.630 55.803 0.054 0.000 0.858 207 Q CB -0.459 28.323 28.738 0.074 0.000 0.905 207 Q HN 0.510 nan 8.270 nan 0.000 0.420 208 H N -0.096 118.999 119.070 0.041 0.000 2.389 208 H HA -0.058 4.500 4.556 0.003 0.000 0.299 208 H C 1.672 177.110 175.328 0.182 0.000 1.081 208 H CA 0.893 57.018 56.048 0.128 0.000 1.345 208 H CB 0.029 29.853 29.762 0.102 0.000 1.393 208 H HN 0.047 nan 8.280 nan 0.000 0.520 209 L N -0.069 121.141 121.223 -0.021 0.000 2.017 209 L HA -0.108 4.233 4.340 0.002 0.000 0.208 209 L C 2.347 179.226 176.870 0.015 0.000 1.073 209 L CA 1.238 56.059 54.840 -0.031 0.000 0.745 209 L CB -1.301 40.739 42.059 -0.032 0.000 0.894 209 L HN 0.377 nan 8.230 nan 0.000 0.432 210 L N -0.567 120.657 121.223 0.002 0.000 2.201 210 L HA -0.129 4.212 4.340 0.002 0.000 0.212 210 L C 2.614 179.455 176.870 -0.049 0.000 1.105 210 L CA 1.410 56.246 54.840 -0.006 0.000 0.775 210 L CB -0.575 41.481 42.059 -0.006 0.000 0.913 210 L HN 0.167 nan 8.230 nan 0.000 0.440 211 R N -2.021 118.429 120.500 -0.083 0.000 2.193 211 R HA -0.177 4.164 4.340 0.002 0.000 0.229 211 R C 0.780 176.792 176.300 -0.481 0.000 1.110 211 R CA 1.482 57.436 56.100 -0.243 0.000 0.988 211 R CB -0.180 29.987 30.300 -0.221 0.000 0.871 211 R HN 0.446 nan 8.270 nan 0.000 0.458 212 W N -1.085 120.126 121.300 -0.148 0.000 2.966 212 W HA 0.298 4.959 4.660 0.002 0.000 0.406 212 W C 0.889 177.367 176.519 -0.069 0.000 1.027 212 W CA 0.396 57.665 57.345 -0.127 0.000 1.930 212 W CB 1.067 30.403 29.460 -0.207 0.000 1.144 212 W HN 0.190 nan 8.180 nan 0.000 0.626 213 G N 0.409 109.245 108.800 0.060 0.000 2.176 213 G HA2 -0.273 3.689 3.960 0.002 0.000 0.232 213 G HA3 -0.273 3.689 3.960 0.002 0.000 0.232 213 G C -0.200 174.754 174.900 0.091 0.000 0.986 213 G CA -0.312 44.830 45.100 0.069 0.000 0.643 213 G HN 0.119 nan 8.290 nan 0.000 0.522 214 L N 2.607 123.883 121.223 0.088 0.000 2.294 214 L HA 0.542 4.883 4.340 0.002 0.000 0.283 214 L C 0.959 177.862 176.870 0.054 0.000 1.015 214 L CA -0.364 54.530 54.840 0.090 0.000 0.831 214 L CB 1.545 43.660 42.059 0.093 0.000 1.217 214 L HN 0.315 nan 8.230 nan 0.000 0.420 215 T N -0.700 113.885 114.554 0.051 0.000 2.904 215 T HA 0.541 4.893 4.350 0.002 0.000 0.290 215 T C 0.200 174.911 174.700 0.019 0.000 1.018 215 T CA -0.577 61.540 62.100 0.028 0.000 1.075 215 T CB 1.390 70.274 68.868 0.027 0.000 0.986 215 T HN 0.605 nan 8.240 nan 0.000 0.523 216 T N 0.167 114.723 114.554 0.004 0.000 2.965 216 T HA 0.532 4.884 4.350 0.002 0.000 0.306 216 T C -3.098 171.599 174.700 -0.006 0.000 0.991 216 T CA -1.739 60.356 62.100 -0.007 0.000 1.001 216 T CB 0.844 69.700 68.868 -0.021 0.000 0.984 216 T HN 0.456 nan 8.240 nan 0.000 0.446 217 P HA 0.087 nan 4.420 nan 0.000 0.264 217 P C 0.060 177.362 177.300 0.003 0.000 1.173 217 P CA 0.176 63.276 63.100 0.000 0.000 0.761 217 P CB 0.407 32.106 31.700 -0.000 0.000 0.794 218 D N 1.787 122.191 120.400 0.007 0.000 2.113 218 D HA -0.019 4.623 4.640 0.002 0.000 0.255 218 D C 0.905 177.213 176.300 0.014 0.000 1.225 218 D CA -0.065 53.940 54.000 0.009 0.000 0.972 218 D CB 0.079 40.886 40.800 0.011 0.000 1.208 218 D HN 0.287 nan 8.370 nan 0.000 0.526 219 K N -0.866 119.545 120.400 0.018 0.000 2.476 219 K HA 0.046 4.368 4.320 0.002 0.000 0.196 219 K C -0.311 176.308 176.600 0.032 0.000 1.025 219 K CA 0.239 56.540 56.287 0.024 0.000 1.138 219 K CB 0.155 32.670 32.500 0.024 0.000 0.860 219 K HN 0.019 nan 8.250 nan 0.000 0.515 224 E N 1.445 121.563 120.200 -0.136 0.000 2.254 224 E HA 0.340 4.692 4.350 0.002 0.000 0.261 224 E C -2.458 173.762 176.600 -0.633 0.000 1.051 224 E CA -1.974 54.292 56.400 -0.223 0.000 0.902 224 E CB 0.785 30.421 29.700 -0.106 0.000 1.168 224 E HN 0.149 nan 8.360 nan 0.000 0.423 225 P HA 0.001 nan 4.420 nan 0.000 0.270 225 P C -2.428 174.605 177.300 -0.446 0.000 1.221 225 P CA -0.628 62.058 63.100 -0.691 0.000 0.788 225 P CB -0.321 31.244 31.700 -0.224 0.000 0.904 226 P HA 0.197 nan 4.420 nan 0.000 0.275 226 P C -1.030 175.999 177.300 -0.452 0.000 1.228 226 P CA 0.040 62.782 63.100 -0.595 0.000 0.786 226 P CB 0.370 31.608 31.700 -0.769 0.000 0.927 227 F N 0.986 120.919 119.950 -0.029 0.000 2.410 227 F HA 0.317 4.843 4.527 -0.001 0.000 0.349 227 F C 0.934 176.841 175.800 0.178 0.000 1.117 227 F CA -0.651 57.408 58.000 0.098 0.000 1.104 227 F CB 0.768 39.847 39.000 0.133 0.000 1.122 227 F HN 0.037 nan 8.300 nan 0.000 0.483 228 L N 3.395 124.825 121.223 0.344 0.000 2.313 228 L HA 0.187 4.529 4.340 0.002 0.000 0.282 228 L C -1.223 175.903 176.870 0.426 0.000 1.092 228 L CA -0.182 54.850 54.840 0.321 0.000 0.831 228 L CB 0.647 42.828 42.059 0.203 0.000 1.159 228 L HN 0.747 nan 8.230 nan 0.000 0.442 229 W N 7.118 128.540 121.300 0.204 0.000 2.802 229 W HA 0.342 5.006 4.660 0.006 0.000 0.331 229 W C -0.326 176.274 176.519 0.134 0.000 1.021 229 W CA -0.775 56.654 57.345 0.141 0.000 1.259 229 W CB 1.007 30.513 29.460 0.076 0.000 1.323 229 W HN 0.376 nan 8.180 nan 0.000 0.432 230 M N 5.722 125.011 119.600 -0.520 0.000 2.302 230 M HA -0.227 4.254 4.480 0.002 0.000 0.200 230 M C 1.135 177.185 176.300 -0.417 0.000 0.366 230 M CA 1.903 56.806 55.300 -0.662 0.000 0.440 230 M CB -2.225 29.599 32.600 -1.293 0.000 1.475 230 M HN 1.459 nan 8.290 nan 0.000 0.905 231 G N -1.837 106.799 108.800 -0.272 0.000 2.199 231 G HA2 -0.302 3.660 3.960 0.002 0.000 0.254 231 G HA3 -0.302 3.660 3.960 0.002 0.000 0.254 231 G C -0.253 174.649 174.900 0.004 0.000 0.982 231 G CA 0.511 45.455 45.100 -0.260 0.000 0.632 231 G HN 0.571 nan 8.290 nan 0.000 0.529 232 Y N 0.149 120.663 120.300 0.355 0.000 2.534 232 Y HA 0.701 5.252 4.550 0.003 0.000 0.329 232 Y C 0.553 176.694 175.900 0.402 0.000 1.154 232 Y CA -1.170 57.194 58.100 0.440 0.000 1.192 232 Y CB 1.225 39.955 38.460 0.449 0.000 1.275 232 Y HN 0.108 nan 8.280 nan 0.000 0.491 233 E N 2.152 122.721 120.200 0.614 0.000 2.141 233 E HA 0.411 4.763 4.350 0.002 0.000 0.259 233 E C -1.760 175.147 176.600 0.512 0.000 0.883 233 E CA -0.325 56.350 56.400 0.459 0.000 0.744 233 E CB 0.471 30.409 29.700 0.398 0.000 1.150 233 E HN 0.568 nan 8.360 nan 0.000 0.420 234 L N 5.220 126.698 121.223 0.426 0.000 2.289 234 L HA 0.459 4.801 4.340 0.002 0.000 0.285 234 L C 0.341 177.391 176.870 0.300 0.000 1.049 234 L CA -0.642 54.469 54.840 0.452 0.000 0.804 234 L CB 0.852 43.125 42.059 0.356 0.000 1.195 234 L HN 0.513 nan 8.230 nan 0.000 0.428 235 H N 2.464 121.733 119.070 0.333 0.000 2.737 235 H HA 0.259 4.815 4.556 0.000 0.000 0.358 235 H C -1.769 173.750 175.328 0.318 0.000 1.187 235 H CA -1.910 54.285 56.048 0.245 0.000 1.221 235 H CB 1.942 31.771 29.762 0.112 0.000 1.799 235 H HN 0.305 nan 8.280 nan 0.000 0.568 236 P HA -0.159 nan 4.420 nan 0.000 0.216 236 P C 0.595 178.109 177.300 0.358 0.000 1.150 236 P CA 1.693 64.953 63.100 0.267 0.000 0.837 236 P CB 0.223 32.021 31.700 0.164 0.000 0.786 237 D N -2.515 118.092 120.400 0.345 0.000 2.556 237 D HA 0.077 4.719 4.640 0.002 0.000 0.237 237 D C 0.242 176.584 176.300 0.071 0.000 1.296 237 D CA -0.148 54.052 54.000 0.333 0.000 0.807 237 D CB -0.011 40.881 40.800 0.153 0.000 1.084 237 D HN 0.251 nan 8.370 nan 0.000 0.510 238 K N -0.839 119.547 120.400 -0.023 0.000 2.548 238 K HA 0.594 4.915 4.320 0.002 0.000 0.282 238 K C -1.397 175.135 176.600 -0.115 0.000 1.006 238 K CA -1.062 55.025 56.287 -0.333 0.000 0.892 238 K CB 1.872 34.068 32.500 -0.506 0.000 1.499 238 K HN 0.098 nan 8.250 nan 0.000 0.433 239 W N 0.200 121.342 121.300 -0.263 0.000 3.118 239 W HA 0.682 5.341 4.660 -0.000 0.000 0.328 239 W C -1.848 174.709 176.519 0.063 0.000 1.239 239 W CA -0.839 56.503 57.345 -0.005 0.000 1.176 239 W CB 1.398 30.822 29.460 -0.060 0.000 1.433 239 W HN 0.814 nan 8.180 nan 0.000 0.562 240 T N 0.334 115.033 114.554 0.242 0.000 2.762 240 T HA 0.506 4.857 4.350 0.002 0.000 0.301 240 T C -0.629 174.394 174.700 0.538 0.000 1.299 240 T CA -0.188 61.922 62.100 0.016 0.000 1.005 240 T CB 1.093 69.960 68.868 -0.001 0.000 1.377 240 T HN 0.930 nan 8.240 nan 0.000 0.504 241 V N 1.722 121.922 119.914 0.476 0.000 3.051 241 V HA 0.524 4.645 4.120 0.002 0.000 0.306 241 V C 0.528 176.887 176.094 0.442 0.000 1.083 241 V CA -0.572 62.072 62.300 0.572 0.000 1.104 241 V CB 0.405 32.505 31.823 0.461 0.000 1.027 241 V HN 1.048 nan 8.190 nan 0.000 0.483 242 Q N 3.240 123.279 119.800 0.399 0.000 2.421 242 Q HA 0.383 4.724 4.340 0.002 0.000 0.255 242 Q C -2.316 173.810 176.000 0.211 0.000 1.013 242 Q CA -1.578 54.384 55.803 0.265 0.000 0.895 242 Q CB 0.095 28.939 28.738 0.178 0.000 1.271 242 Q HN 0.684 nan 8.270 nan 0.000 0.460 243 P HA 0.001 nan 4.420 nan 0.000 0.261 243 P C -0.948 176.403 177.300 0.085 0.000 1.183 243 P CA 0.267 63.440 63.100 0.121 0.000 0.761 243 P CB 0.252 32.008 31.700 0.093 0.000 0.785 244 I N 4.471 125.080 120.570 0.065 0.000 2.331 244 I HA 0.164 4.336 4.170 0.002 0.000 0.292 244 I C 0.291 176.411 176.117 0.005 0.000 0.998 244 I CA -0.392 60.925 61.300 0.029 0.000 1.267 244 I CB 1.637 39.633 38.000 -0.006 0.000 1.386 244 I HN 0.091 nan 8.210 nan 0.000 0.476 245 V N 8.286 128.206 119.914 0.011 0.000 2.350 245 V HA 0.498 4.619 4.120 0.002 0.000 0.285 245 V C -0.609 175.501 176.094 0.027 0.000 1.014 245 V CA -0.559 61.748 62.300 0.013 0.000 0.831 245 V CB 1.113 32.942 31.823 0.011 0.000 1.000 245 V HN 0.492 nan 8.190 nan 0.000 0.433 246 L N 9.639 130.884 121.223 0.037 0.000 2.260 246 L HA 0.502 4.843 4.340 0.002 0.000 0.289 246 L C -1.706 175.229 176.870 0.108 0.000 1.057 246 L CA -1.610 53.284 54.840 0.089 0.000 0.811 246 L CB 1.087 43.195 42.059 0.082 0.000 1.184 246 L HN 0.507 nan 8.230 nan 0.000 0.429 247 P HA 0.079 nan 4.420 nan 0.000 0.270 247 P C -0.805 176.532 177.300 0.062 0.000 1.223 247 P CA -0.234 62.880 63.100 0.022 0.000 0.785 247 P CB 0.807 32.446 31.700 -0.101 0.000 0.923 248 E N 1.334 121.526 120.200 -0.014 0.000 2.134 248 E HA 0.362 4.714 4.350 0.002 0.000 0.278 248 E C -0.335 176.172 176.600 -0.155 0.000 0.959 248 E CA -0.494 55.906 56.400 0.000 0.000 0.783 248 E CB 1.105 30.813 29.700 0.013 0.000 1.095 248 E HN 0.283 nan 8.360 nan 0.000 0.399 249 K N 2.170 122.430 120.400 -0.233 0.000 2.498 249 K HA 0.216 4.537 4.320 0.002 0.000 0.254 249 K C -0.574 175.900 176.600 -0.209 0.000 0.933 249 K CA -0.759 55.270 56.287 -0.430 0.000 0.806 249 K CB 1.795 33.654 32.500 -1.068 0.000 1.301 249 K HN 0.322 nan 8.250 nan 0.000 0.432 250 D N 0.402 120.717 120.400 -0.142 0.000 2.289 250 D HA 0.001 4.643 4.640 0.002 0.000 0.207 250 D C -0.270 176.032 176.300 0.002 0.000 0.966 250 D CA 0.989 54.976 54.000 -0.022 0.000 0.868 250 D CB 0.444 41.231 40.800 -0.023 0.000 0.943 250 D HN 0.227 nan 8.370 nan 0.000 0.514 251 S N -0.136 115.483 115.700 -0.135 0.000 2.614 251 S HA 0.395 4.866 4.470 0.002 0.000 0.288 251 S C -1.308 173.185 174.600 -0.179 0.000 1.137 251 S CA -0.785 57.384 58.200 -0.051 0.000 0.992 251 S CB 1.427 64.598 63.200 -0.048 0.000 1.026 251 S HN 0.073 nan 8.310 nan 0.000 0.486 252 W N 2.438 123.730 121.300 -0.013 0.000 2.417 252 W HA 0.445 5.106 4.660 0.002 0.000 0.315 252 W C 0.777 177.289 176.519 -0.013 0.000 1.045 252 W CA -0.619 56.718 57.345 -0.013 0.000 1.221 252 W CB 1.128 30.580 29.460 -0.014 0.000 1.309 252 W HN 0.654 nan 8.180 nan 0.000 0.453 253 T N -1.190 113.454 114.554 0.149 0.000 2.868 253 T HA 0.145 4.496 4.350 0.002 0.000 0.292 253 T C 1.049 175.823 174.700 0.123 0.000 1.028 253 T CA -0.688 61.471 62.100 0.098 0.000 1.059 253 T CB 1.287 70.180 68.868 0.040 0.000 0.991 253 T HN 0.242 nan 8.240 nan 0.000 0.531 254 V N 2.134 122.094 119.914 0.077 0.000 2.278 254 V HA -0.276 3.845 4.120 0.002 0.000 0.251 254 V C 2.918 179.050 176.094 0.063 0.000 1.062 254 V CA 2.506 64.843 62.300 0.060 0.000 1.038 254 V CB -1.194 30.650 31.823 0.035 0.000 0.646 254 V HN 1.062 nan 8.190 nan 0.000 0.447 255 N N -0.085 118.646 118.700 0.052 0.000 2.069 255 N HA -0.233 4.508 4.740 0.002 0.000 0.191 255 N C 1.537 177.092 175.510 0.075 0.000 1.031 255 N CA 1.893 54.970 53.050 0.044 0.000 0.852 255 N CB -0.152 38.347 38.487 0.021 0.000 1.018 255 N HN 0.525 nan 8.380 nan 0.000 0.423 256 D N 0.836 121.305 120.400 0.114 0.000 2.144 256 D HA -0.118 4.523 4.640 0.002 0.000 0.199 256 D C 2.063 178.551 176.300 0.314 0.000 0.984 256 D CA 0.814 54.936 54.000 0.203 0.000 0.834 256 D CB -0.139 40.794 40.800 0.222 0.000 0.955 256 D HN 0.478 nan 8.370 nan 0.000 0.465 257 I N 0.723 121.441 120.570 0.247 0.000 2.406 257 I HA -0.209 3.963 4.170 0.002 0.000 0.249 257 I C 2.506 178.654 176.117 0.052 0.000 1.122 257 I CA 0.657 62.028 61.300 0.117 0.000 1.431 257 I CB -0.188 37.838 38.000 0.044 0.000 1.087 257 I HN -0.086 nan 8.210 nan 0.000 0.424 258 Q N 0.997 120.829 119.800 0.053 0.000 2.077 258 Q HA -0.265 4.076 4.340 0.002 0.000 0.206 258 Q C 2.182 178.203 176.000 0.034 0.000 0.989 258 Q CA 1.777 57.599 55.803 0.031 0.000 0.853 258 Q CB -0.103 28.650 28.738 0.025 0.000 0.907 258 Q HN 0.443 nan 8.270 nan 0.000 0.418 259 K N 0.145 120.577 120.400 0.053 0.000 2.097 259 K HA -0.132 4.189 4.320 0.002 0.000 0.205 259 K C 2.023 178.656 176.600 0.055 0.000 1.050 259 K CA 0.756 57.069 56.287 0.043 0.000 0.938 259 K CB -0.134 32.394 32.500 0.046 0.000 0.718 259 K HN 0.069 nan 8.250 nan 0.000 0.442 260 L N 0.836 122.113 121.223 0.089 0.000 2.046 260 L HA -0.153 4.188 4.340 0.002 0.000 0.208 260 L C 1.913 178.792 176.870 0.014 0.000 1.077 260 L CA 1.504 56.383 54.840 0.066 0.000 0.747 260 L CB -0.297 41.791 42.059 0.048 0.000 0.896 260 L HN -0.105 nan 8.230 nan 0.000 0.432 261 V N 0.276 120.190 119.914 -0.000 0.000 2.407 261 V HA -0.217 3.904 4.120 0.002 0.000 0.248 261 V C 2.586 178.699 176.094 0.032 0.000 1.055 261 V CA 1.742 64.041 62.300 -0.001 0.000 1.049 261 V CB -1.569 30.249 31.823 -0.009 0.000 0.662 261 V HN 0.663 nan 8.190 nan 0.000 0.455 262 G N -0.480 108.342 108.800 0.037 0.000 2.404 262 G HA2 -0.208 3.753 3.960 0.002 0.000 0.215 262 G HA3 -0.208 3.753 3.960 0.002 0.000 0.215 262 G C 1.667 176.622 174.900 0.092 0.000 1.174 262 G CA 0.638 45.770 45.100 0.055 0.000 0.780 262 G HN 0.449 nan 8.290 nan 0.000 0.537 263 K N -0.552 119.887 120.400 0.065 0.000 2.057 263 K HA -0.003 4.319 4.320 0.002 0.000 0.207 263 K C 2.405 179.081 176.600 0.127 0.000 1.049 263 K CA 0.640 56.982 56.287 0.092 0.000 0.931 263 K CB -0.230 32.298 32.500 0.047 0.000 0.714 263 K HN 0.135 nan 8.250 nan 0.000 0.440 264 L N 1.819 123.084 121.223 0.070 0.000 2.027 264 L HA -0.152 4.190 4.340 0.002 0.000 0.206 264 L C 1.799 178.716 176.870 0.078 0.000 1.074 264 L CA 1.607 56.472 54.840 0.041 0.000 0.745 264 L CB -1.076 40.983 42.059 -0.000 0.000 0.898 264 L HN 0.178 nan 8.230 nan 0.000 0.433 265 N N -1.284 117.477 118.700 0.101 0.000 2.149 265 N HA -0.273 4.468 4.740 0.002 0.000 0.188 265 N C 1.707 177.326 175.510 0.181 0.000 1.019 265 N CA 1.161 54.283 53.050 0.121 0.000 0.857 265 N CB -0.375 38.186 38.487 0.124 0.000 0.997 265 N HN 0.498 nan 8.380 nan 0.000 0.426 266 W N 1.691 123.012 121.300 0.036 0.000 2.381 266 W HA -0.052 4.609 4.660 0.002 0.000 0.301 266 W C 1.876 178.464 176.519 0.115 0.000 1.205 266 W CA 1.487 58.866 57.345 0.057 0.000 1.285 266 W CB -0.109 29.353 29.460 0.004 0.000 1.133 266 W HN 0.043 nan 8.180 nan 0.000 0.521 267 A N 0.479 123.411 122.820 0.187 0.000 2.067 267 A HA -0.192 4.129 4.320 0.002 0.000 0.219 267 A C 1.926 179.598 177.584 0.146 0.000 1.158 267 A CA 1.904 54.021 52.037 0.134 0.000 0.661 267 A CB -1.108 17.878 19.000 -0.022 0.000 0.801 267 A HN 0.337 nan 8.150 nan 0.000 0.452 268 S N -0.367 115.381 115.700 0.080 0.000 2.555 268 S HA -0.149 4.322 4.470 0.002 0.000 0.230 268 S C 1.512 176.130 174.600 0.030 0.000 0.978 268 S CA 0.983 59.217 58.200 0.056 0.000 0.934 268 S CB -0.469 62.748 63.200 0.028 0.000 0.766 268 S HN 0.714 nan 8.310 nan 0.000 0.533 269 Q N -0.477 119.348 119.800 0.043 0.000 2.369 269 Q HA 0.202 4.544 4.340 0.002 0.000 0.206 269 Q C 1.417 177.527 176.000 0.183 0.000 0.963 269 Q CA 0.973 56.842 55.803 0.110 0.000 0.894 269 Q CB -0.060 28.776 28.738 0.163 0.000 0.965 269 Q HN 0.650 nan 8.270 nan 0.000 0.475 270 I N -2.421 118.209 120.570 0.100 0.000 5.046 270 I HA 0.068 4.240 4.170 0.002 0.000 0.341 270 I C -0.845 175.145 176.117 -0.211 0.000 1.257 270 I CA -0.188 61.058 61.300 -0.090 0.000 1.421 270 I CB 0.923 38.700 38.000 -0.372 0.000 1.495 270 I HN -0.115 nan 8.210 nan 0.000 0.518 271 Y N 4.204 124.456 120.300 -0.081 0.000 2.452 271 Y HA 0.437 4.989 4.550 0.004 0.000 0.348 271 Y C -2.064 173.792 175.900 -0.075 0.000 0.985 271 Y CA -2.367 55.686 58.100 -0.078 0.000 1.214 271 Y CB 0.069 38.499 38.460 -0.050 0.000 1.136 271 Y HN 0.054 nan 8.280 nan 0.000 0.523 272 P HA 0.108 nan 4.420 nan 0.000 0.271 272 P C 0.658 177.958 177.300 0.000 0.000 1.216 272 P CA 0.559 63.645 63.100 -0.023 0.000 0.771 272 P CB 0.847 32.513 31.700 -0.057 0.000 0.864 273 G N 2.872 111.664 108.800 -0.013 0.000 2.147 273 G HA2 -0.218 3.743 3.960 0.002 0.000 0.244 273 G HA3 -0.218 3.743 3.960 0.002 0.000 0.244 273 G C 0.240 175.135 174.900 -0.009 0.000 1.005 273 G CA -0.607 44.485 45.100 -0.014 0.000 0.713 273 G HN 0.459 nan 8.290 nan 0.000 0.515 274 I N 0.031 120.604 120.570 0.004 0.000 2.775 274 I HA 0.180 4.352 4.170 0.002 0.000 0.290 274 I C 0.767 176.873 176.117 -0.018 0.000 1.203 274 I CA 0.812 62.108 61.300 -0.006 0.000 1.433 274 I CB 0.745 38.748 38.000 0.006 0.000 1.354 274 I HN 0.116 nan 8.210 nan 0.000 0.579 275 K N 4.153 124.534 120.400 -0.032 0.000 2.316 275 K HA 0.481 4.803 4.320 0.002 0.000 0.251 275 K C 0.264 176.836 176.600 -0.047 0.000 0.934 275 K CA -0.489 55.774 56.287 -0.040 0.000 0.802 275 K CB 2.315 34.784 32.500 -0.052 0.000 1.171 275 K HN 0.416 nan 8.250 nan 0.000 0.426 276 V N -0.336 119.551 119.914 -0.044 0.000 3.337 276 V HA 0.251 4.372 4.120 0.002 0.000 0.307 276 V C 1.540 177.601 176.094 -0.055 0.000 1.505 276 V CA -0.174 62.095 62.300 -0.051 0.000 1.072 276 V CB 0.277 32.080 31.823 -0.033 0.000 0.929 276 V HN 0.735 nan 8.190 nan 0.000 0.455 277 R N 0.527 120.993 120.500 -0.056 0.000 2.083 277 R HA -0.154 4.187 4.340 0.002 0.000 0.237 277 R C 2.262 178.526 176.300 -0.061 0.000 1.137 277 R CA 2.358 58.424 56.100 -0.057 0.000 0.951 277 R CB -0.095 30.168 30.300 -0.061 0.000 0.851 277 R HN 0.508 nan 8.270 nan 0.000 0.434 278 Q N 0.407 120.165 119.800 -0.070 0.000 2.123 278 Q HA -0.074 4.268 4.340 0.002 0.000 0.199 278 Q C 2.258 178.206 176.000 -0.087 0.000 0.966 278 Q CA 1.177 56.935 55.803 -0.075 0.000 0.845 278 Q CB -0.139 28.551 28.738 -0.080 0.000 0.907 278 Q HN 0.422 nan 8.270 nan 0.000 0.439 279 L N -0.672 120.490 121.223 -0.102 0.000 2.056 279 L HA -0.191 4.150 4.340 0.002 0.000 0.207 279 L C 2.545 179.364 176.870 -0.085 0.000 1.078 279 L CA 0.825 55.593 54.840 -0.121 0.000 0.749 279 L CB -0.472 41.500 42.059 -0.146 0.000 0.901 279 L HN 0.203 nan 8.230 nan 0.000 0.433 280 C N -0.015 119.247 119.300 -0.064 0.000 2.422 280 C HA -0.113 4.348 4.460 0.002 0.000 0.279 280 C C 2.735 177.701 174.990 -0.039 0.000 1.305 280 C CA 0.533 59.524 59.018 -0.045 0.000 1.757 280 C CB -0.706 27.012 27.740 -0.037 0.000 1.962 280 C HN 0.407 nan 8.230 nan 0.000 0.499 281 K N 0.384 120.758 120.400 -0.044 0.000 2.209 281 K HA -0.097 4.225 4.320 0.002 0.000 0.204 281 K C 1.641 178.221 176.600 -0.033 0.000 1.048 281 K CA 0.946 57.211 56.287 -0.037 0.000 0.940 281 K CB -0.313 32.163 32.500 -0.040 0.000 0.729 281 K HN 0.343 nan 8.250 nan 0.000 0.451 282 L N 0.626 121.823 121.223 -0.042 0.000 2.131 282 L HA -0.143 4.199 4.340 0.002 0.000 0.210 282 L C 1.910 178.768 176.870 -0.020 0.000 1.092 282 L CA 1.255 56.074 54.840 -0.035 0.000 0.759 282 L CB -0.591 41.436 42.059 -0.053 0.000 0.903 282 L HN 0.090 nan 8.230 nan 0.000 0.435 283 L N -1.022 120.189 121.223 -0.021 0.000 2.599 283 L HA 0.043 4.385 4.340 0.002 0.000 0.230 283 L C 1.166 178.031 176.870 -0.007 0.000 1.141 283 L CA 0.563 55.397 54.840 -0.010 0.000 0.877 283 L CB -0.755 41.298 42.059 -0.011 0.000 1.009 283 L HN 0.123 nan 8.230 nan 0.000 0.447 284 R N -0.458 120.035 120.500 -0.011 0.000 2.491 284 R HA 0.443 4.785 4.340 0.002 0.000 0.283 284 R C 0.680 176.977 176.300 -0.005 0.000 1.072 284 R CA 0.687 56.782 56.100 -0.008 0.000 1.048 284 R CB 0.334 30.627 30.300 -0.011 0.000 0.983 284 R HN 0.285 nan 8.270 nan 0.000 0.450 285 G N 0.353 109.152 108.800 -0.002 0.000 2.409 285 G HA2 -0.208 3.754 3.960 0.002 0.000 0.421 285 G HA3 -0.208 3.754 3.960 0.002 0.000 0.421 285 G C -0.795 174.106 174.900 0.002 0.000 1.259 285 G CA -0.274 44.826 45.100 -0.000 0.000 1.011 285 G HN 0.537 nan 8.290 nan 0.000 0.497 286 T N 0.071 114.626 114.554 0.003 0.000 3.327 286 T HA 0.636 4.987 4.350 0.002 0.000 0.373 286 T C -0.225 174.478 174.700 0.004 0.000 1.589 286 T CA -0.080 62.022 62.100 0.003 0.000 1.497 286 T CB 0.047 68.917 68.868 0.003 0.000 1.032 286 T HN 0.643 nan 8.240 nan 0.000 0.640 287 K N 1.739 122.142 120.400 0.006 0.000 2.281 287 K HA 0.886 5.208 4.320 0.002 0.000 0.242 287 K C -0.229 176.375 176.600 0.008 0.000 0.971 287 K CA -0.688 55.603 56.287 0.007 0.000 0.834 287 K CB 1.813 34.319 32.500 0.010 0.000 1.181 287 K HN 0.556 nan 8.250 nan 0.000 0.435 288 A N 2.079 124.904 122.820 0.008 0.000 2.351 288 A HA 0.210 4.532 4.320 0.002 0.000 0.257 288 A C 0.813 178.403 177.584 0.010 0.000 1.087 288 A CA -0.191 51.850 52.037 0.006 0.000 0.798 288 A CB 0.162 19.165 19.000 0.004 0.000 1.033 288 A HN 0.775 nan 8.150 nan 0.000 0.488 289 L N 1.476 122.704 121.223 0.007 0.000 2.079 289 L HA -0.144 4.198 4.340 0.002 0.000 0.210 289 L C 2.719 179.596 176.870 0.012 0.000 1.081 289 L CA 2.779 57.625 54.840 0.010 0.000 0.752 289 L CB -0.424 41.638 42.059 0.004 0.000 0.896 289 L HN 0.936 nan 8.230 nan 0.000 0.433 290 T N -3.942 110.616 114.554 0.006 0.000 3.148 290 T HA -0.014 4.337 4.350 0.002 0.000 0.253 290 T C 0.776 175.481 174.700 0.008 0.000 1.134 290 T CA -0.191 61.911 62.100 0.003 0.000 1.051 290 T CB -0.371 68.496 68.868 -0.003 0.000 0.959 290 T HN 0.302 nan 8.240 nan 0.000 0.525 291 E N 1.261 121.470 120.200 0.015 0.000 2.289 291 E HA 0.378 4.730 4.350 0.002 0.000 0.278 291 E C -0.802 175.818 176.600 0.032 0.000 1.032 291 E CA -0.568 55.843 56.400 0.018 0.000 0.854 291 E CB 0.979 30.689 29.700 0.017 0.000 1.046 291 E HN 0.082 nan 8.360 nan 0.000 0.409 292 V N 6.244 126.177 119.914 0.032 0.000 2.488 292 V HA 0.129 4.251 4.120 0.002 0.000 0.277 292 V C 0.058 176.187 176.094 0.058 0.000 1.046 292 V CA -0.273 62.057 62.300 0.051 0.000 0.986 292 V CB 0.839 32.685 31.823 0.038 0.000 0.989 292 V HN 0.608 nan 8.190 nan 0.000 0.475 293 I N 7.011 127.633 120.570 0.087 0.000 2.382 293 I HA 0.375 4.546 4.170 0.002 0.000 0.285 293 I C -2.367 173.797 176.117 0.079 0.000 1.007 293 I CA -2.587 58.753 61.300 0.066 0.000 1.142 293 I CB 1.436 39.467 38.000 0.052 0.000 1.289 293 I HN 0.418 nan 8.210 nan 0.000 0.453 294 P HA 0.131 nan 4.420 nan 0.000 0.263 294 P C -0.241 177.070 177.300 0.019 0.000 1.195 294 P CA -0.115 63.016 63.100 0.050 0.000 0.762 294 P CB 0.420 32.139 31.700 0.031 0.000 0.799 295 L N 3.186 124.415 121.223 0.009 0.000 2.418 295 L HA 0.116 4.457 4.340 0.002 0.000 0.274 295 L C 1.584 178.431 176.870 -0.039 0.000 1.135 295 L CA -0.338 54.468 54.840 -0.057 0.000 0.870 295 L CB -0.191 41.799 42.059 -0.115 0.000 1.154 295 L HN 0.468 nan 8.230 nan 0.000 0.462 296 T N -1.069 113.457 114.554 -0.047 0.000 2.663 296 T HA -0.070 4.281 4.350 0.002 0.000 0.325 296 T C 0.982 175.656 174.700 -0.044 0.000 1.059 296 T CA -0.172 61.905 62.100 -0.039 0.000 1.039 296 T CB 1.061 69.903 68.868 -0.042 0.000 0.996 296 T HN 0.677 nan 8.240 nan 0.000 0.539 297 E N 0.603 120.781 120.200 -0.036 0.000 2.046 297 E HA -0.144 4.207 4.350 0.002 0.000 0.190 297 E C 2.192 178.765 176.600 -0.045 0.000 0.982 297 E CA 1.438 57.817 56.400 -0.035 0.000 0.800 297 E CB -0.227 29.456 29.700 -0.027 0.000 0.756 297 E HN 0.759 nan 8.360 nan 0.000 0.449 298 E N 0.808 120.980 120.200 -0.048 0.000 2.077 298 E HA -0.195 4.156 4.350 0.002 0.000 0.193 298 E C 2.119 178.677 176.600 -0.070 0.000 0.989 298 E CA 1.272 57.639 56.400 -0.055 0.000 0.800 298 E CB -0.845 28.823 29.700 -0.053 0.000 0.746 298 E HN 0.325 nan 8.360 nan 0.000 0.452 299 A N 1.443 124.215 122.820 -0.080 0.000 1.933 299 A HA -0.228 4.093 4.320 0.002 0.000 0.218 299 A C 2.158 179.665 177.584 -0.128 0.000 1.175 299 A CA 1.902 53.872 52.037 -0.111 0.000 0.628 299 A CB -0.519 18.405 19.000 -0.127 0.000 0.814 299 A HN 0.284 nan 8.150 nan 0.000 0.444 300 E N -0.738 119.401 120.200 -0.102 0.000 2.152 300 E HA -0.092 4.259 4.350 0.002 0.000 0.192 300 E C 1.695 178.251 176.600 -0.074 0.000 0.983 300 E CA 0.696 57.041 56.400 -0.092 0.000 0.818 300 E CB -0.144 29.523 29.700 -0.055 0.000 0.758 300 E HN 0.360 nan 8.360 nan 0.000 0.467 301 L N 0.963 122.148 121.223 -0.064 0.000 2.044 301 L HA -0.021 4.321 4.340 0.002 0.000 0.205 301 L C 2.306 179.138 176.870 -0.063 0.000 1.075 301 L CA 1.798 56.606 54.840 -0.054 0.000 0.747 301 L CB -1.214 40.816 42.059 -0.047 0.000 0.903 301 L HN 0.278 nan 8.230 nan 0.000 0.435 302 E N -0.187 119.968 120.200 -0.075 0.000 2.097 302 E HA -0.271 4.081 4.350 0.002 0.000 0.196 302 E C 2.406 178.953 176.600 -0.089 0.000 1.000 302 E CA 1.310 57.662 56.400 -0.079 0.000 0.804 302 E CB -0.144 29.503 29.700 -0.088 0.000 0.740 302 E HN 0.393 nan 8.360 nan 0.000 0.454 303 L N 0.098 121.253 121.223 -0.114 0.000 2.042 303 L HA -0.222 4.119 4.340 0.002 0.000 0.210 303 L C 2.445 179.268 176.870 -0.079 0.000 1.076 303 L CA 1.522 56.285 54.840 -0.128 0.000 0.749 303 L CB -0.424 41.526 42.059 -0.182 0.000 0.893 303 L HN 0.261 nan 8.230 nan 0.000 0.432 304 A N -0.475 122.309 122.820 -0.061 0.000 1.855 304 A HA -0.294 4.027 4.320 0.002 0.000 0.215 304 A C 2.100 179.661 177.584 -0.038 0.000 1.191 304 A CA 1.771 53.785 52.037 -0.038 0.000 0.613 304 A CB -0.694 18.288 19.000 -0.031 0.000 0.829 304 A HN 0.535 nan 8.150 nan 0.000 0.442 305 E N -0.057 120.117 120.200 -0.043 0.000 2.114 305 E HA -0.274 4.078 4.350 0.002 0.000 0.199 305 E C 1.822 178.399 176.600 -0.039 0.000 1.008 305 E CA 1.875 58.251 56.400 -0.040 0.000 0.810 305 E CB -0.226 29.446 29.700 -0.045 0.000 0.739 305 E HN 0.793 nan 8.360 nan 0.000 0.456 306 N N -0.588 118.082 118.700 -0.049 0.000 2.171 306 N HA -0.130 4.612 4.740 0.002 0.000 0.184 306 N C 1.876 177.353 175.510 -0.056 0.000 1.021 306 N CA 0.856 53.874 53.050 -0.054 0.000 0.854 306 N CB -0.066 38.381 38.487 -0.067 0.000 0.994 306 N HN -0.026 nan 8.380 nan 0.000 0.426 307 R N 1.270 121.743 120.500 -0.047 0.000 2.152 307 R HA -0.121 4.221 4.340 0.002 0.000 0.232 307 R C 1.867 178.150 176.300 -0.028 0.000 1.117 307 R CA 1.057 57.135 56.100 -0.036 0.000 0.981 307 R CB 0.025 30.316 30.300 -0.017 0.000 0.870 307 R HN 0.191 nan 8.270 nan 0.000 0.451 308 E N 0.206 120.392 120.200 -0.024 0.000 2.152 308 E HA -0.099 4.252 4.350 0.002 0.000 0.192 308 E C 1.512 178.110 176.600 -0.004 0.000 0.983 308 E CA 1.300 57.691 56.400 -0.014 0.000 0.818 308 E CB -0.096 29.594 29.700 -0.016 0.000 0.758 308 E HN 0.484 nan 8.360 nan 0.000 0.467 309 I N -0.200 120.366 120.570 -0.006 0.000 2.617 309 I HA -0.111 4.060 4.170 0.002 0.000 0.256 309 I C 1.443 177.591 176.117 0.052 0.000 1.167 309 I CA 0.233 61.552 61.300 0.032 0.000 1.469 309 I CB 0.104 38.123 38.000 0.032 0.000 1.098 309 I HN 0.176 nan 8.210 nan 0.000 0.436 310 L N 0.305 121.494 121.223 -0.057 0.000 2.529 310 L HA 0.058 4.399 4.340 0.002 0.000 0.223 310 L C 2.165 179.007 176.870 -0.047 0.000 1.113 310 L CA 1.165 55.894 54.840 -0.184 0.000 0.861 310 L CB -0.561 41.350 42.059 -0.247 0.000 1.012 310 L HN 0.035 nan 8.230 nan 0.000 0.461 311 K N 0.349 120.751 120.400 0.002 0.000 2.009 311 K HA -0.127 4.195 4.320 0.002 0.000 0.210 311 K C 0.573 177.201 176.600 0.047 0.000 1.049 311 K CA 1.104 57.401 56.287 0.017 0.000 0.929 311 K CB -0.176 32.332 32.500 0.013 0.000 0.714 311 K HN 0.286 nan 8.250 nan 0.000 0.440 312 E N 1.866 122.110 120.200 0.072 0.000 2.204 312 E HA 0.237 4.588 4.350 0.002 0.000 0.276 312 E C -2.632 174.054 176.600 0.144 0.000 0.974 312 E CA -3.151 53.295 56.400 0.077 0.000 0.815 312 E CB 0.486 30.209 29.700 0.038 0.000 1.119 312 E HN -0.085 nan 8.360 nan 0.000 0.393 313 P HA 0.140 nan 4.420 nan 0.000 0.269 313 P C -0.461 176.811 177.300 -0.047 0.000 1.215 313 P CA -0.374 62.806 63.100 0.134 0.000 0.780 313 P CB 0.780 32.535 31.700 0.093 0.000 0.898 314 V N 2.494 122.236 119.914 -0.286 0.000 2.962 314 V HA 0.443 4.565 4.120 0.002 0.000 0.313 314 V C 0.089 175.887 176.094 -0.494 0.000 1.099 314 V CA -0.582 61.394 62.300 -0.539 0.000 0.971 314 V CB 2.031 33.300 31.823 -0.924 0.000 1.028 314 V HN 0.846 nan 8.190 nan 0.000 0.430 315 H N 0.849 119.636 119.070 -0.471 0.000 2.865 315 H HA 0.792 5.351 4.556 0.004 0.000 0.372 315 H C -0.370 174.560 175.328 -0.664 0.000 1.173 315 H CA -0.629 55.075 56.048 -0.573 0.000 1.147 315 H CB 2.358 31.854 29.762 -0.444 0.000 1.805 315 H HN 0.788 nan 8.280 nan 0.000 0.553 316 G N 0.457 108.707 108.800 -0.916 0.000 2.461 316 G HA2 0.491 4.453 3.960 0.002 0.000 0.329 316 G HA3 0.491 4.453 3.960 0.002 0.000 0.329 316 G C 0.026 174.724 174.900 -0.337 0.000 1.170 316 G CA -0.271 44.404 45.100 -0.709 0.000 0.935 316 G HN 0.690 nan 8.290 nan 0.000 0.492 317 V N -1.815 118.098 119.914 -0.003 0.000 3.211 317 V HA 0.711 4.833 4.120 0.002 0.000 0.319 317 V C -0.438 175.744 176.094 0.146 0.000 1.096 317 V CA -1.354 60.956 62.300 0.017 0.000 1.029 317 V CB 0.967 32.833 31.823 0.072 0.000 1.137 317 V HN 0.567 nan 8.190 nan 0.000 0.453 318 Y N -0.568 119.917 120.300 0.309 0.000 2.418 318 Y HA 0.536 5.085 4.550 -0.002 0.000 0.327 318 Y C -0.077 175.992 175.900 0.283 0.000 1.309 318 Y CA -0.684 57.591 58.100 0.292 0.000 1.423 318 Y CB 0.450 39.025 38.460 0.191 0.000 1.423 318 Y HN 0.725 nan 8.280 nan 0.000 0.532 319 Y N 1.566 122.075 120.300 0.348 0.000 2.313 319 Y HA 0.290 4.843 4.550 0.005 0.000 0.332 319 Y C -0.685 175.286 175.900 0.117 0.000 1.071 319 Y CA -1.505 56.716 58.100 0.203 0.000 1.169 319 Y CB 0.692 39.342 38.460 0.316 0.000 1.192 319 Y HN 0.509 nan 8.280 nan 0.000 0.487 320 D N 8.088 128.253 120.400 -0.391 0.000 2.441 320 D HA 0.335 4.977 4.640 0.002 0.000 0.231 320 D C -2.317 173.471 176.300 -0.853 0.000 1.073 320 D CA -2.651 51.069 54.000 -0.466 0.000 0.850 320 D CB 1.996 42.676 40.800 -0.199 0.000 1.062 320 D HN 0.328 nan 8.370 nan 0.000 0.524 321 P HA -0.055 nan 4.420 nan 0.000 0.231 321 P C 0.844 177.977 177.300 -0.278 0.000 1.158 321 P CA 0.687 63.392 63.100 -0.660 0.000 0.763 321 P CB 0.184 31.707 31.700 -0.294 0.000 0.805 322 S N -2.751 112.805 115.700 -0.240 0.000 2.556 322 S HA 0.194 4.665 4.470 0.002 0.000 0.216 322 S C 0.632 175.167 174.600 -0.109 0.000 0.970 322 S CA -0.187 57.935 58.200 -0.130 0.000 0.912 322 S CB -0.276 62.860 63.200 -0.105 0.000 0.790 322 S HN 0.035 nan 8.310 nan 0.000 0.504 323 K N 1.189 121.508 120.400 -0.134 0.000 2.328 323 K HA 0.469 4.790 4.320 0.002 0.000 0.246 323 K C -1.373 175.180 176.600 -0.078 0.000 0.955 323 K CA -0.918 55.312 56.287 -0.096 0.000 0.817 323 K CB 0.925 33.368 32.500 -0.094 0.000 1.208 323 K HN -0.006 nan 8.250 nan 0.000 0.432 324 D N 1.274 121.625 120.400 -0.082 0.000 2.378 324 D HA 0.097 4.738 4.640 0.002 0.000 0.238 324 D C -0.313 175.889 176.300 -0.164 0.000 1.180 324 D CA 0.197 54.134 54.000 -0.105 0.000 0.895 324 D CB 0.542 41.274 40.800 -0.113 0.000 1.192 324 D HN 0.201 nan 8.370 nan 0.000 0.438 325 L N 1.937 123.016 121.223 -0.239 0.000 2.295 325 L HA 0.357 4.699 4.340 0.002 0.000 0.285 325 L C -0.208 176.404 176.870 -0.430 0.000 1.035 325 L CA -0.729 53.876 54.840 -0.391 0.000 0.806 325 L CB 1.102 42.830 42.059 -0.552 0.000 1.214 325 L HN 0.107 nan 8.230 nan 0.000 0.426 326 I N 2.803 123.046 120.570 -0.544 0.000 2.404 326 I HA 0.557 4.729 4.170 0.002 0.000 0.293 326 I C 0.163 175.850 176.117 -0.716 0.000 0.992 326 I CA -0.467 60.440 61.300 -0.655 0.000 1.149 326 I CB 1.565 39.033 38.000 -0.886 0.000 1.315 326 I HN 0.601 nan 8.210 nan 0.000 0.446 327 A N 6.413 128.887 122.820 -0.576 0.000 2.331 327 A HA 0.728 5.049 4.320 0.002 0.000 0.320 327 A C -0.405 177.097 177.584 -0.136 0.000 1.138 327 A CA -0.592 51.217 52.037 -0.379 0.000 0.790 327 A CB 1.132 19.819 19.000 -0.522 0.000 1.206 327 A HN 0.741 nan 8.150 nan 0.000 0.470 328 E N 1.714 121.930 120.200 0.026 0.000 2.199 328 E HA 0.606 4.958 4.350 0.002 0.000 0.269 328 E C -1.224 175.497 176.600 0.203 0.000 0.899 328 E CA -0.436 56.042 56.400 0.131 0.000 0.772 328 E CB 2.355 32.166 29.700 0.184 0.000 1.155 328 E HN 0.616 nan 8.360 nan 0.000 0.408 329 I N 2.163 122.842 120.570 0.181 0.000 2.509 329 I HA 0.270 4.441 4.170 0.002 0.000 0.293 329 I C -0.724 175.522 176.117 0.216 0.000 1.020 329 I CA -0.908 60.528 61.300 0.227 0.000 1.088 329 I CB 1.823 39.913 38.000 0.151 0.000 1.267 329 I HN 0.355 nan 8.210 nan 0.000 0.430 330 Q N 4.148 124.096 119.800 0.247 0.000 2.375 330 Q HA 0.388 4.730 4.340 0.002 0.000 0.271 330 Q C -0.769 175.324 176.000 0.154 0.000 1.074 330 Q CA -0.886 55.020 55.803 0.172 0.000 0.808 330 Q CB 2.449 31.230 28.738 0.071 0.000 1.327 330 Q HN 0.344 nan 8.270 nan 0.000 0.441 331 K N 1.679 122.062 120.400 -0.028 0.000 2.379 331 K HA 0.035 4.356 4.320 0.002 0.000 0.284 331 K C -0.228 176.170 176.600 -0.337 0.000 1.044 331 K CA 0.332 56.294 56.287 -0.542 0.000 0.974 331 K CB 0.706 32.873 32.500 -0.554 0.000 0.962 331 K HN 0.703 nan 8.250 nan 0.000 0.474 332 Q N 2.690 122.252 119.800 -0.397 0.000 3.062 332 Q HA 0.281 4.623 4.340 0.002 0.000 0.229 332 Q C 0.928 176.789 176.000 -0.232 0.000 1.163 332 Q CA 0.354 56.023 55.803 -0.224 0.000 0.322 332 Q CB 0.112 28.759 28.738 -0.151 0.000 5.731 332 Q HN 0.816 nan 8.270 nan 0.000 0.328 333 G N 0.058 108.736 108.800 -0.204 0.000 2.522 333 G HA2 0.055 4.016 3.960 0.002 0.000 0.223 333 G HA3 0.055 4.016 3.960 0.002 0.000 0.223 333 G C -0.642 174.125 174.900 -0.221 0.000 1.565 333 G CA -0.238 44.758 45.100 -0.173 0.000 1.053 333 G HN 0.365 nan 8.290 nan 0.000 0.547 334 Q N 0.060 119.761 119.800 -0.165 0.000 2.325 334 Q HA 0.447 4.788 4.340 0.002 0.000 0.262 334 Q C 0.715 176.641 176.000 -0.122 0.000 0.968 334 Q CA 0.262 55.976 55.803 -0.148 0.000 0.877 334 Q CB 1.146 29.829 28.738 -0.091 0.000 1.253 334 Q HN 1.164 nan 8.270 nan 0.000 0.448 335 G N 3.018 111.750 108.800 -0.115 0.000 2.205 335 G HA2 -0.303 3.658 3.960 0.002 0.000 0.261 335 G HA3 -0.303 3.658 3.960 0.002 0.000 0.261 335 G C 0.109 174.974 174.900 -0.058 0.000 0.980 335 G CA 0.130 45.231 45.100 0.001 0.000 0.632 335 G HN 0.520 nan 8.290 nan 0.000 0.533 336 Q N -0.743 118.897 119.800 -0.266 0.000 2.290 336 Q HA 0.571 4.912 4.340 0.002 0.000 0.259 336 Q C -0.861 174.861 176.000 -0.463 0.000 0.941 336 Q CA -0.600 55.071 55.803 -0.220 0.000 0.912 336 Q CB 0.947 29.589 28.738 -0.159 0.000 1.244 336 Q HN 0.414 nan 8.270 nan 0.000 0.441 337 W N 0.875 122.229 121.300 0.090 0.000 2.819 337 W HA 0.539 5.200 4.660 0.002 0.000 0.337 337 W C -0.099 176.521 176.519 0.169 0.000 1.077 337 W CA -0.613 56.821 57.345 0.149 0.000 1.226 337 W CB 2.153 31.761 29.460 0.247 0.000 1.419 337 W HN 0.334 nan 8.180 nan 0.000 0.502 338 T N 2.063 116.825 114.554 0.348 0.000 2.906 338 T HA 0.729 5.080 4.350 0.002 0.000 0.295 338 T C -1.655 173.226 174.700 0.301 0.000 1.061 338 T CA -0.472 61.763 62.100 0.224 0.000 1.000 338 T CB 0.894 69.807 68.868 0.076 0.000 1.103 338 T HN 0.363 nan 8.240 nan 0.000 0.486 339 Y N 0.892 121.276 120.300 0.139 0.000 2.597 339 Y HA 0.826 5.377 4.550 0.002 0.000 0.340 339 Y C -1.515 174.449 175.900 0.107 0.000 1.097 339 Y CA -1.268 56.907 58.100 0.124 0.000 1.037 339 Y CB 1.206 39.743 38.460 0.128 0.000 1.305 339 Y HN 0.485 nan 8.280 nan 0.000 0.463 340 Q N 2.419 122.384 119.800 0.275 0.000 2.397 340 Q HA 0.725 5.066 4.340 0.002 0.000 0.275 340 Q C -1.485 174.655 176.000 0.233 0.000 1.090 340 Q CA -0.649 55.277 55.803 0.205 0.000 0.809 340 Q CB 3.320 32.177 28.738 0.199 0.000 1.362 340 Q HN 0.756 nan 8.270 nan 0.000 0.431 341 I N 2.677 123.363 120.570 0.193 0.000 2.466 341 I HA 0.591 4.763 4.170 0.002 0.000 0.289 341 I C -1.213 174.921 176.117 0.028 0.000 1.026 341 I CA -1.124 60.182 61.300 0.010 0.000 1.078 341 I CB 1.009 39.037 38.000 0.046 0.000 1.249 341 I HN 0.677 nan 8.210 nan 0.000 0.429 342 Y N 3.077 123.325 120.300 -0.087 0.000 2.655 342 Y HA 0.506 5.057 4.550 0.002 0.000 0.336 342 Y C -0.193 175.615 175.900 -0.153 0.000 1.154 342 Y CA -0.946 57.100 58.100 -0.091 0.000 1.055 342 Y CB 1.158 39.590 38.460 -0.046 0.000 1.295 342 Y HN 0.465 nan 8.280 nan 0.000 0.465 343 Q N -0.281 119.609 119.800 0.149 0.000 2.422 343 Q HA 0.202 4.543 4.340 0.002 0.000 0.255 343 Q C -0.679 175.385 176.000 0.108 0.000 0.864 343 Q CA 0.262 56.089 55.803 0.040 0.000 0.968 343 Q CB 1.165 29.888 28.738 -0.026 0.000 1.130 343 Q HN 0.680 nan 8.270 nan 0.000 0.556 344 E N 1.916 122.172 120.200 0.094 0.000 2.191 344 E HA 0.244 4.595 4.350 0.002 0.000 0.263 344 E C -2.650 173.766 176.600 -0.307 0.000 0.881 344 E CA -2.688 53.674 56.400 -0.063 0.000 0.757 344 E CB 1.680 31.333 29.700 -0.077 0.000 1.147 344 E HN -0.114 nan 8.360 nan 0.000 0.414 345 P HA 0.067 nan 4.420 nan 0.000 0.271 345 P C -0.644 176.197 177.300 -0.766 0.000 1.220 345 P CA 0.101 62.346 63.100 -1.425 0.000 0.768 345 P CB 0.288 30.938 31.700 -1.750 0.000 0.848 346 F N 2.530 122.247 119.950 -0.388 0.000 2.664 346 F HA 0.236 4.765 4.527 0.002 0.000 0.322 346 F C 1.081 176.692 175.800 -0.315 0.000 1.324 346 F CA -0.485 57.191 58.000 -0.540 0.000 1.154 346 F CB 0.574 39.335 39.000 -0.399 0.000 1.236 346 F HN -0.055 nan 8.300 nan 0.000 0.532 347 K N 1.552 121.868 120.400 -0.140 0.000 2.150 347 K HA 0.177 4.499 4.320 0.002 0.000 0.261 347 K C -0.401 176.218 176.600 0.031 0.000 1.127 347 K CA -0.319 55.934 56.287 -0.056 0.000 0.989 347 K CB -0.026 32.451 32.500 -0.038 0.000 1.475 347 K HN 0.199 nan 8.250 nan 0.000 0.391 348 N N 2.608 121.326 118.700 0.029 0.000 2.447 348 N HA -0.033 4.708 4.740 0.002 0.000 0.263 348 N C 1.179 176.766 175.510 0.129 0.000 1.226 348 N CA -0.027 53.090 53.050 0.112 0.000 0.906 348 N CB 0.697 39.215 38.487 0.052 0.000 1.060 348 N HN 0.255 nan 8.380 nan 0.000 0.468 349 L N 2.137 123.493 121.223 0.220 0.000 2.109 349 L HA -0.046 4.296 4.340 0.002 0.000 0.207 349 L C 1.160 178.362 176.870 0.553 0.000 1.086 349 L CA 1.543 56.616 54.840 0.388 0.000 0.760 349 L CB -0.477 41.802 42.059 0.366 0.000 0.910 349 L HN 0.704 nan 8.230 nan 0.000 0.437 350 K N -2.656 117.984 120.400 0.400 0.000 2.680 350 K HA 0.543 4.865 4.320 0.002 0.000 0.295 350 K C -0.916 175.794 176.600 0.184 0.000 1.052 350 K CA -0.497 56.019 56.287 0.382 0.000 0.863 350 K CB 1.306 34.081 32.500 0.458 0.000 1.549 350 K HN -0.149 nan 8.250 nan 0.000 0.391 351 T N -2.501 112.095 114.554 0.070 0.000 2.831 351 T HA 0.895 5.246 4.350 0.002 0.000 0.287 351 T C 0.043 174.514 174.700 -0.381 0.000 1.070 351 T CA -0.389 61.623 62.100 -0.147 0.000 1.010 351 T CB 1.798 70.594 68.868 -0.120 0.000 1.264 351 T HN 1.063 nan 8.240 nan 0.000 0.532 352 G N -0.246 108.044 108.800 -0.850 0.000 2.559 352 G HA2 0.582 4.543 3.960 0.002 0.000 0.291 352 G HA3 0.582 4.543 3.960 0.002 0.000 0.291 352 G C -2.045 172.542 174.900 -0.521 0.000 1.424 352 G CA -0.988 43.635 45.100 -0.795 0.000 0.786 352 G HN 0.767 nan 8.290 nan 0.000 0.485 353 K N -0.642 119.724 120.400 -0.057 0.000 2.259 353 K HA 0.592 4.913 4.320 0.002 0.000 0.249 353 K C -1.923 174.906 176.600 0.383 0.000 0.942 353 K CA -0.843 55.532 56.287 0.146 0.000 0.816 353 K CB 2.630 35.182 32.500 0.087 0.000 1.155 353 K HN 0.523 nan 8.250 nan 0.000 0.428 354 Y N -0.009 120.463 120.300 0.286 0.000 2.421 354 Y HA 0.491 5.043 4.550 0.002 0.000 0.339 354 Y C -0.762 175.303 175.900 0.275 0.000 0.996 354 Y CA -0.344 57.909 58.100 0.255 0.000 1.046 354 Y CB 1.935 40.529 38.460 0.223 0.000 1.226 354 Y HN 0.635 nan 8.280 nan 0.000 0.445 355 A N 5.045 127.518 122.820 -0.578 0.000 2.701 355 A HA 0.250 4.571 4.320 0.002 0.000 0.241 355 A C 0.365 177.675 177.584 -0.455 0.000 1.231 355 A CA -0.425 51.407 52.037 -0.341 0.000 1.003 355 A CB 0.022 18.940 19.000 -0.136 0.000 1.281 355 A HN 0.679 nan 8.150 nan 0.000 0.600 356 R N 1.607 121.616 120.500 -0.819 0.000 2.640 356 R HA 0.267 4.608 4.340 0.002 0.000 0.270 356 R C 0.255 176.453 176.300 -0.169 0.000 1.024 356 R CA 0.331 56.209 56.100 -0.371 0.000 1.085 356 R CB 0.162 30.352 30.300 -0.183 0.000 0.963 356 R HN 0.477 nan 8.270 nan 0.000 0.426 357 M N 3.861 123.432 119.600 -0.049 0.000 2.101 357 M HA 0.374 4.855 4.480 0.002 0.000 0.340 357 M C -0.912 175.408 176.300 0.034 0.000 1.057 357 M CA -0.349 54.957 55.300 0.010 0.000 0.984 357 M CB 1.775 34.373 32.600 -0.003 0.000 1.560 357 M HN 0.442 nan 8.290 nan 0.000 0.435 358 R N 3.234 123.772 120.500 0.063 0.000 2.287 358 R HA 0.624 4.965 4.340 0.002 0.000 0.327 358 R C 0.328 176.657 176.300 0.048 0.000 1.109 358 R CA 0.234 56.373 56.100 0.064 0.000 1.013 358 R CB 0.605 30.956 30.300 0.085 0.000 1.126 358 R HN 1.115 nan 8.270 nan 0.000 0.503 359 G N 0.920 109.733 108.800 0.023 0.000 2.549 359 G HA2 -0.159 3.803 3.960 0.002 0.000 0.404 359 G HA3 -0.159 3.803 3.960 0.002 0.000 0.404 359 G C 0.137 174.980 174.900 -0.095 0.000 1.292 359 G CA -0.342 44.750 45.100 -0.013 0.000 0.935 359 G HN 0.465 nan 8.290 nan 0.000 0.512 360 A N -1.099 121.561 122.820 -0.267 0.000 1.997 360 A HA 0.446 4.768 4.320 0.002 0.000 0.212 360 A C 0.887 178.209 177.584 -0.436 0.000 1.178 360 A CA 1.658 53.433 52.037 -0.436 0.000 0.698 360 A CB -0.133 18.455 19.000 -0.686 0.000 0.842 360 A HN 1.069 nan 8.150 nan 0.000 0.458 361 H N 0.335 119.444 119.070 0.065 0.000 2.547 361 H HA 0.555 5.112 4.556 0.002 0.000 0.342 361 H C -0.678 174.685 175.328 0.058 0.000 1.048 361 H CA 0.202 56.285 56.048 0.059 0.000 1.204 361 H CB 1.097 30.896 29.762 0.061 0.000 1.493 361 H HN 0.293 nan 8.280 nan 0.000 0.511 362 T N 0.406 115.040 114.554 0.134 0.000 2.754 362 T HA 0.441 4.792 4.350 0.002 0.000 0.296 362 T C -0.261 174.446 174.700 0.011 0.000 1.205 362 T CA -1.158 60.974 62.100 0.054 0.000 1.009 362 T CB 1.963 70.851 68.868 0.034 0.000 1.368 362 T HN 0.645 nan 8.240 nan 0.000 0.509 363 N N -1.026 117.608 118.700 -0.110 0.000 2.577 363 N HA 0.464 5.205 4.740 0.002 0.000 0.285 363 N C -0.134 175.304 175.510 -0.121 0.000 1.309 363 N CA -0.903 52.068 53.050 -0.133 0.000 0.798 363 N CB 0.415 38.706 38.487 -0.327 0.000 1.463 363 N HN 0.435 nan 8.380 nan 0.000 0.518 364 D N -0.443 119.943 120.400 -0.023 0.000 2.144 364 D HA -0.082 4.559 4.640 0.002 0.000 0.199 364 D C 1.633 177.864 176.300 -0.115 0.000 0.984 364 D CA 0.916 54.988 54.000 0.120 0.000 0.834 364 D CB -0.139 40.798 40.800 0.229 0.000 0.955 364 D HN 0.352 nan 8.370 nan 0.000 0.465 365 V N 0.687 120.385 119.914 -0.359 0.000 2.343 365 V HA -0.221 3.900 4.120 0.002 0.000 0.247 365 V C 2.409 178.213 176.094 -0.485 0.000 1.051 365 V CA 1.467 63.475 62.300 -0.487 0.000 1.036 365 V CB -0.363 30.936 31.823 -0.873 0.000 0.654 365 V HN 0.165 nan 8.190 nan 0.000 0.451 366 K N -0.425 119.639 120.400 -0.560 0.000 2.057 366 K HA -0.194 4.128 4.320 0.002 0.000 0.206 366 K C 2.329 178.778 176.600 -0.252 0.000 1.050 366 K CA 1.482 57.566 56.287 -0.337 0.000 0.935 366 K CB -0.084 32.239 32.500 -0.295 0.000 0.715 366 K HN 0.519 nan 8.250 nan 0.000 0.439 367 Q N 0.325 119.980 119.800 -0.242 0.000 2.079 367 Q HA -0.176 4.166 4.340 0.002 0.000 0.200 367 Q C 2.179 177.737 176.000 -0.737 0.000 0.974 367 Q CA 1.181 56.820 55.803 -0.275 0.000 0.840 367 Q CB -0.123 28.625 28.738 0.017 0.000 0.898 367 Q HN 0.221 nan 8.270 nan 0.000 0.430 368 L N 0.642 121.319 121.223 -0.910 0.000 2.042 368 L HA -0.193 4.149 4.340 0.002 0.000 0.210 368 L C 2.124 178.535 176.870 -0.765 0.000 1.076 368 L CA 1.960 56.163 54.840 -1.063 0.000 0.749 368 L CB -0.748 40.857 42.059 -0.757 0.000 0.893 368 L HN 0.137 nan 8.230 nan 0.000 0.432 369 T N -0.743 113.494 114.554 -0.529 0.000 2.746 369 T HA -0.175 4.177 4.350 0.002 0.000 0.267 369 T C 1.674 176.111 174.700 -0.438 0.000 1.039 369 T CA 1.681 63.529 62.100 -0.421 0.000 1.142 369 T CB -0.237 68.577 68.868 -0.089 0.000 0.866 369 T HN 0.473 nan 8.240 nan 0.000 0.444 370 E N 1.206 121.152 120.200 -0.423 0.000 2.077 370 E HA -0.040 4.311 4.350 0.002 0.000 0.193 370 E C 2.564 178.710 176.600 -0.757 0.000 0.989 370 E CA 0.983 57.120 56.400 -0.439 0.000 0.800 370 E CB -0.252 29.279 29.700 -0.282 0.000 0.746 370 E HN 0.477 nan 8.360 nan 0.000 0.452 371 A N 0.910 123.101 122.820 -1.048 0.000 1.902 371 A HA -0.160 4.161 4.320 0.002 0.000 0.217 371 A C 2.502 179.661 177.584 -0.708 0.000 1.181 371 A CA 1.219 52.599 52.037 -1.095 0.000 0.623 371 A CB -0.719 17.742 19.000 -0.898 0.000 0.818 371 A HN 0.134 nan 8.150 nan 0.000 0.443 372 V N 0.155 119.640 119.914 -0.715 0.000 2.407 372 V HA -0.264 3.857 4.120 0.002 0.000 0.248 372 V C 2.755 178.532 176.094 -0.528 0.000 1.055 372 V CA 2.065 63.887 62.300 -0.797 0.000 1.049 372 V CB -0.679 30.491 31.823 -1.088 0.000 0.662 372 V HN 0.560 nan 8.190 nan 0.000 0.455 373 Q N 0.016 119.560 119.800 -0.427 0.000 2.046 373 Q HA -0.197 4.145 4.340 0.002 0.000 0.200 373 Q C 2.294 178.174 176.000 -0.200 0.000 0.975 373 Q CA 1.574 57.225 55.803 -0.252 0.000 0.836 373 Q CB -0.480 28.143 28.738 -0.193 0.000 0.896 373 Q HN 0.615 nan 8.270 nan 0.000 0.428 374 K N 0.787 121.023 120.400 -0.274 0.000 2.097 374 K HA -0.091 4.230 4.320 0.002 0.000 0.206 374 K C 2.051 178.552 176.600 -0.165 0.000 1.049 374 K CA 0.855 57.028 56.287 -0.190 0.000 0.933 374 K CB -0.081 32.290 32.500 -0.215 0.000 0.717 374 K HN 0.146 nan 8.250 nan 0.000 0.442 375 I N 0.827 121.253 120.570 -0.242 0.000 2.439 375 I HA -0.200 3.972 4.170 0.002 0.000 0.251 375 I C 2.004 178.112 176.117 -0.015 0.000 1.139 375 I CA 1.058 62.232 61.300 -0.209 0.000 1.438 375 I CB -0.208 37.618 38.000 -0.289 0.000 1.085 375 I HN 0.189 nan 8.210 nan 0.000 0.427 376 T N -0.081 114.502 114.554 0.049 0.000 2.777 376 T HA -0.150 4.201 4.350 0.002 0.000 0.266 376 T C 1.924 176.643 174.700 0.031 0.000 1.040 376 T CA 1.958 64.115 62.100 0.095 0.000 1.141 376 T CB -0.296 68.626 68.868 0.090 0.000 0.868 376 T HN 0.333 nan 8.240 nan 0.000 0.444 377 T N 1.528 116.078 114.554 -0.007 0.000 2.777 377 T HA -0.084 4.267 4.350 0.002 0.000 0.266 377 T C 1.927 176.606 174.700 -0.036 0.000 1.040 377 T CA 1.310 63.403 62.100 -0.013 0.000 1.141 377 T CB -0.227 68.630 68.868 -0.017 0.000 0.868 377 T HN 0.551 nan 8.240 nan 0.000 0.444 378 E N 0.812 120.980 120.200 -0.052 0.000 2.085 378 E HA -0.145 4.207 4.350 0.002 0.000 0.194 378 E C 2.228 178.736 176.600 -0.154 0.000 0.994 378 E CA 1.336 57.675 56.400 -0.101 0.000 0.801 378 E CB -0.069 29.584 29.700 -0.078 0.000 0.743 378 E HN 0.333 nan 8.360 nan 0.000 0.453 379 S N 0.395 116.078 115.700 -0.028 0.000 2.368 379 S HA -0.106 4.366 4.470 0.002 0.000 0.224 379 S C 1.866 176.486 174.600 0.033 0.000 1.029 379 S CA 0.819 59.083 58.200 0.106 0.000 0.988 379 S CB -0.120 63.214 63.200 0.224 0.000 0.838 379 S HN 0.297 nan 8.310 nan 0.000 0.462 380 I N 1.546 122.121 120.570 0.008 0.000 2.163 380 I HA -0.123 4.049 4.170 0.002 0.000 0.243 380 I C 2.309 178.393 176.117 -0.056 0.000 1.085 380 I CA 1.127 62.428 61.300 0.002 0.000 1.347 380 I CB -1.680 36.325 38.000 0.009 0.000 1.044 380 I HN 0.148 nan 8.210 nan 0.000 0.408 381 V N 1.028 120.880 119.914 -0.104 0.000 2.295 381 V HA -0.240 3.882 4.120 0.002 0.000 0.246 381 V C 2.473 178.415 176.094 -0.254 0.000 1.049 381 V CA 1.733 63.950 62.300 -0.139 0.000 1.024 381 V CB -0.315 31.431 31.823 -0.130 0.000 0.648 381 V HN 0.285 nan 8.190 nan 0.000 0.447 382 I N -1.905 118.382 120.570 -0.471 0.000 2.406 382 I HA -0.134 4.038 4.170 0.002 0.000 0.249 382 I C 2.015 177.615 176.117 -0.862 0.000 1.122 382 I CA 1.389 62.184 61.300 -0.841 0.000 1.431 382 I CB -0.133 36.934 38.000 -1.556 0.000 1.087 382 I HN 0.417 nan 8.210 nan 0.000 0.424 383 W N -0.154 120.991 121.300 -0.258 0.000 2.741 383 W HA 0.357 5.018 4.660 0.001 0.000 0.317 383 W C 1.490 177.903 176.519 -0.177 0.000 1.029 383 W CA 0.666 57.774 57.345 -0.395 0.000 1.511 383 W CB -0.139 28.936 29.460 -0.642 0.000 1.025 383 W HN 0.277 nan 8.180 nan 0.000 0.554 384 G N 2.311 111.141 108.800 0.050 0.000 2.148 384 G HA2 -0.293 3.668 3.960 0.002 0.000 0.254 384 G HA3 -0.293 3.668 3.960 0.002 0.000 0.254 384 G C 0.216 175.167 174.900 0.086 0.000 0.981 384 G CA 1.002 46.139 45.100 0.062 0.000 0.670 384 G HN 0.331 nan 8.290 nan 0.000 0.528 385 K N -1.138 119.326 120.400 0.107 0.000 2.548 385 K HA 0.711 5.032 4.320 0.002 0.000 0.282 385 K C -0.217 176.424 176.600 0.069 0.000 1.006 385 K CA -0.294 56.042 56.287 0.080 0.000 0.892 385 K CB 0.930 33.475 32.500 0.076 0.000 1.499 385 K HN 0.514 nan 8.250 nan 0.000 0.433 386 T N -0.478 114.098 114.554 0.036 0.000 2.909 386 T HA 0.463 4.814 4.350 0.002 0.000 0.289 386 T C -2.057 172.580 174.700 -0.105 0.000 1.005 386 T CA -1.365 60.737 62.100 0.004 0.000 1.084 386 T CB 0.862 69.762 68.868 0.052 0.000 0.975 386 T HN 0.478 nan 8.240 nan 0.000 0.509 387 P HA 0.340 nan 4.420 nan 0.000 0.278 387 P C -0.816 176.190 177.300 -0.490 0.000 1.258 387 P CA -0.832 61.992 63.100 -0.461 0.000 0.811 387 P CB 0.751 32.041 31.700 -0.684 0.000 1.063 388 K N 1.231 121.395 120.400 -0.394 0.000 2.276 388 K HA 0.326 4.648 4.320 0.002 0.000 0.283 388 K C -0.204 176.165 176.600 -0.384 0.000 1.044 388 K CA -0.101 56.023 56.287 -0.272 0.000 0.944 388 K CB 0.119 32.514 32.500 -0.175 0.000 1.012 388 K HN 0.328 nan 8.250 nan 0.000 0.472 389 F N 1.888 121.787 119.950 -0.084 0.000 2.377 389 F HA 0.308 4.838 4.527 0.004 0.000 0.328 389 F C 0.595 176.386 175.800 -0.015 0.000 1.094 389 F CA -0.417 57.533 58.000 -0.083 0.000 1.093 389 F CB 1.184 40.110 39.000 -0.123 0.000 1.214 389 F HN 0.153 nan 8.300 nan 0.000 0.518 390 K N 3.926 124.431 120.400 0.176 0.000 2.502 390 K HA 0.588 4.909 4.320 0.002 0.000 0.254 390 K C -1.469 175.197 176.600 0.109 0.000 0.947 390 K CA -0.492 55.875 56.287 0.132 0.000 0.834 390 K CB 1.918 34.458 32.500 0.067 0.000 1.112 390 K HN 0.486 nan 8.250 nan 0.000 0.427 391 L N 4.071 125.361 121.223 0.111 0.000 2.386 391 L HA 0.436 4.778 4.340 0.002 0.000 0.271 391 L C -2.078 174.821 176.870 0.047 0.000 0.993 391 L CA -2.160 52.684 54.840 0.007 0.000 0.819 391 L CB 2.336 44.252 42.059 -0.238 0.000 1.294 391 L HN 0.404 nan 8.230 nan 0.000 0.414 392 P HA 0.175 nan 4.420 nan 0.000 0.228 392 P C -0.524 176.936 177.300 0.267 0.000 1.748 392 P CA 0.425 63.586 63.100 0.103 0.000 0.909 392 P CB 0.204 31.965 31.700 0.102 0.000 1.882 393 I N -0.312 120.486 120.570 0.380 0.000 2.656 393 I HA 0.245 4.416 4.170 0.002 0.000 0.292 393 I C -0.604 175.795 176.117 0.470 0.000 1.144 393 I CA -0.985 60.499 61.300 0.307 0.000 1.038 393 I CB 2.712 40.733 38.000 0.035 0.000 1.244 393 I HN -0.201 nan 8.210 nan 0.000 0.420 394 Q N 5.840 125.725 119.800 0.142 0.000 2.352 394 Q HA 0.170 4.512 4.340 0.002 0.000 0.260 394 Q C 0.629 176.789 176.000 0.266 0.000 0.976 394 Q CA -0.311 55.440 55.803 -0.087 0.000 0.881 394 Q CB 1.157 29.753 28.738 -0.237 0.000 1.235 394 Q HN 0.537 nan 8.270 nan 0.000 0.419 395 K N 1.926 122.467 120.400 0.235 0.000 2.113 395 K HA -0.234 4.088 4.320 0.002 0.000 0.208 395 K C 1.591 178.383 176.600 0.321 0.000 1.047 395 K CA 1.483 57.963 56.287 0.321 0.000 0.928 395 K CB 0.091 32.598 32.500 0.012 0.000 0.716 395 K HN 0.704 nan 8.250 nan 0.000 0.446 396 E N 0.335 120.628 120.200 0.155 0.000 2.150 396 E HA -0.118 4.234 4.350 0.002 0.000 0.193 396 E C 1.425 178.114 176.600 0.148 0.000 0.985 396 E CA 1.269 57.745 56.400 0.126 0.000 0.814 396 E CB 0.165 29.889 29.700 0.039 0.000 0.752 396 E HN 0.199 nan 8.360 nan 0.000 0.466 397 T N 0.994 115.637 114.554 0.147 0.000 2.737 397 T HA -0.178 4.173 4.350 0.002 0.000 0.265 397 T C 1.304 176.149 174.700 0.242 0.000 1.038 397 T CA 1.183 63.361 62.100 0.130 0.000 1.144 397 T CB -0.574 68.338 68.868 0.073 0.000 0.866 397 T HN 0.460 nan 8.240 nan 0.000 0.434 398 W N 2.923 124.325 121.300 0.169 0.000 2.335 398 W HA -0.203 4.459 4.660 0.003 0.000 0.311 398 W C 2.156 178.891 176.519 0.361 0.000 1.213 398 W CA 1.923 59.400 57.345 0.219 0.000 1.274 398 W CB -0.140 29.464 29.460 0.241 0.000 1.148 398 W HN 0.515 nan 8.180 nan 0.000 0.498 399 E N -0.210 120.170 120.200 0.299 0.000 2.274 399 E HA -0.138 4.213 4.350 0.002 0.000 0.194 399 E C 1.811 178.497 176.600 0.145 0.000 0.996 399 E CA 1.755 58.362 56.400 0.345 0.000 0.840 399 E CB -0.686 29.304 29.700 0.484 0.000 0.772 399 E HN -0.037 nan 8.360 nan 0.000 0.491 400 T N 0.649 115.257 114.554 0.089 0.000 2.821 400 T HA -0.157 4.195 4.350 0.002 0.000 0.267 400 T C 1.109 175.783 174.700 -0.043 0.000 1.046 400 T CA 1.232 63.332 62.100 0.000 0.000 1.139 400 T CB -0.386 68.502 68.868 0.033 0.000 0.871 400 T HN 0.452 nan 8.240 nan 0.000 0.454 401 W N 0.510 121.698 121.300 -0.187 0.000 2.407 401 W HA -0.127 4.534 4.660 0.002 0.000 0.305 401 W C 2.169 178.521 176.519 -0.279 0.000 1.196 401 W CA 0.933 58.126 57.345 -0.253 0.000 1.311 401 W CB -0.596 28.690 29.460 -0.290 0.000 1.135 401 W HN 0.420 nan 8.180 nan 0.000 0.514 402 W N 3.199 124.126 121.300 -0.622 0.000 2.335 402 W HA -0.275 4.387 4.660 0.003 0.000 0.311 402 W C 2.634 178.885 176.519 -0.446 0.000 1.213 402 W CA 3.917 60.860 57.345 -0.671 0.000 1.274 402 W CB -0.969 28.059 29.460 -0.720 0.000 1.148 402 W HN -0.087 nan 8.180 nan 0.000 0.498 403 T N -0.375 113.489 114.554 -1.150 0.000 2.674 403 T HA -0.303 4.048 4.350 0.002 0.000 0.265 403 T C 1.625 175.914 174.700 -0.686 0.000 1.039 403 T CA 1.787 63.142 62.100 -1.242 0.000 1.150 403 T CB -1.098 67.188 68.868 -0.970 0.000 0.864 403 T HN 0.623 nan 8.240 nan 0.000 0.427 404 E N -0.244 119.642 120.200 -0.524 0.000 2.427 404 E HA -0.051 4.300 4.350 0.002 0.000 0.196 404 E C 0.337 176.705 176.600 -0.387 0.000 1.028 404 E CA -0.207 55.974 56.400 -0.364 0.000 0.864 404 E CB -0.263 29.286 29.700 -0.252 0.000 0.813 404 E HN 0.627 nan 8.360 nan 0.000 0.514 405 Y N 1.443 121.248 120.300 -0.825 0.000 2.301 405 Y HA 0.073 4.625 4.550 0.002 0.000 0.325 405 Y C 0.722 176.268 175.900 -0.590 0.000 1.203 405 Y CA -1.668 55.835 58.100 -0.995 0.000 1.255 405 Y CB 0.610 38.089 38.460 -1.635 0.000 1.232 405 Y HN 0.113 nan 8.280 nan 0.000 0.501 406 W N 2.309 123.089 121.300 -0.867 0.000 3.290 406 W HA 0.229 4.890 4.660 0.003 0.000 0.287 406 W C -0.564 175.611 176.519 -0.574 0.000 1.288 406 W CA -0.231 56.759 57.345 -0.592 0.000 1.725 406 W CB -0.042 29.155 29.460 -0.437 0.000 1.103 406 W HN 0.382 nan 8.180 nan 0.000 0.670 407 Q N 1.176 120.417 119.800 -0.931 0.000 2.222 407 Q HA 0.511 4.852 4.340 0.002 0.000 0.252 407 Q C -0.042 175.884 176.000 -0.124 0.000 0.926 407 Q CA -0.268 55.304 55.803 -0.384 0.000 0.899 407 Q CB 2.256 30.761 28.738 -0.389 0.000 1.250 407 Q HN -0.013 nan 8.270 nan 0.000 0.441 408 A N 1.545 124.375 122.820 0.016 0.000 2.425 408 A HA 0.501 4.822 4.320 0.002 0.000 0.249 408 A C 0.226 177.909 177.584 0.166 0.000 1.084 408 A CA 0.227 52.330 52.037 0.110 0.000 0.781 408 A CB 0.580 19.637 19.000 0.095 0.000 1.019 408 A HN 0.649 nan 8.150 nan 0.000 0.490 409 T N 1.603 116.304 114.554 0.244 0.000 2.762 409 T HA 0.659 5.011 4.350 0.002 0.000 0.301 409 T C -2.123 172.810 174.700 0.388 0.000 1.299 409 T CA -0.382 61.890 62.100 0.286 0.000 1.005 409 T CB 1.250 70.302 68.868 0.308 0.000 1.377 409 T HN 1.417 nan 8.240 nan 0.000 0.504 410 W N 4.028 125.422 121.300 0.156 0.000 4.150 410 W HA 0.461 5.123 4.660 0.002 0.000 0.264 410 W C -2.543 173.999 176.519 0.039 0.000 1.296 410 W CA -1.046 56.364 57.345 0.109 0.000 1.270 410 W CB 0.391 29.867 29.460 0.025 0.000 1.214 410 W HN 0.869 nan 8.180 nan 0.000 0.538 411 I N 3.985 124.084 120.570 -0.784 0.000 2.569 411 I HA 0.657 4.828 4.170 0.002 0.000 0.296 411 I C -2.031 173.365 176.117 -1.201 0.000 1.028 411 I CA -2.660 58.082 61.300 -0.931 0.000 1.082 411 I CB 1.877 39.280 38.000 -0.994 0.000 1.264 411 I HN 0.045 nan 8.210 nan 0.000 0.429 412 P HA -0.045 nan 4.420 nan 0.000 0.272 412 P C -0.295 176.938 177.300 -0.111 0.000 1.248 412 P CA -0.104 62.835 63.100 -0.268 0.000 0.799 412 P CB 0.387 32.121 31.700 0.057 0.000 0.997 413 E N 0.843 121.028 120.200 -0.025 0.000 2.966 413 E HA -0.073 4.278 4.350 0.002 0.000 0.254 413 E C -0.583 176.083 176.600 0.109 0.000 0.923 413 E CA 0.296 56.682 56.400 -0.024 0.000 0.960 413 E CB -0.049 29.639 29.700 -0.020 0.000 0.901 413 E HN 0.353 nan 8.360 nan 0.000 0.525 414 W N 3.128 124.336 121.300 -0.154 0.000 3.062 414 W HA 0.607 5.268 4.660 0.002 0.000 0.336 414 W C -1.264 175.200 176.519 -0.092 0.000 1.224 414 W CA -0.977 56.301 57.345 -0.112 0.000 1.159 414 W CB 0.654 29.989 29.460 -0.207 0.000 1.454 414 W HN 0.398 nan 8.180 nan 0.000 0.569 415 E N 1.068 121.360 120.200 0.153 0.000 2.317 415 E HA 0.353 4.705 4.350 0.002 0.000 0.270 415 E C -1.557 175.224 176.600 0.301 0.000 0.885 415 E CA -1.083 55.326 56.400 0.014 0.000 0.760 415 E CB 3.184 32.884 29.700 0.001 0.000 1.227 415 E HN 0.264 nan 8.360 nan 0.000 0.434 416 F N 2.595 122.611 119.950 0.110 0.000 2.529 416 F HA 0.309 4.838 4.527 0.003 0.000 0.365 416 F C -0.676 175.201 175.800 0.128 0.000 1.102 416 F CA -0.133 57.988 58.000 0.201 0.000 1.271 416 F CB 0.736 39.817 39.000 0.135 0.000 1.120 416 F HN 0.137 nan 8.300 nan 0.000 0.579 417 V N 6.955 126.371 119.914 -0.831 0.000 2.686 417 V HA 0.327 4.449 4.120 0.002 0.000 0.306 417 V C -0.931 174.525 176.094 -1.063 0.000 1.065 417 V CA -0.888 60.954 62.300 -0.764 0.000 0.894 417 V CB 1.633 33.312 31.823 -0.241 0.000 1.004 417 V HN 0.825 nan 8.190 nan 0.000 0.424 418 N N 4.127 122.355 118.700 -0.787 0.000 2.895 418 N HA 0.250 4.991 4.740 0.002 0.000 0.277 418 N C -0.476 174.953 175.510 -0.136 0.000 1.185 418 N CA 0.114 52.947 53.050 -0.360 0.000 1.106 418 N CB 0.136 38.620 38.487 -0.006 0.000 1.422 418 N HN 0.745 nan 8.380 nan 0.000 0.521 419 T N 4.501 118.987 114.554 -0.114 0.000 3.155 419 T HA 0.302 4.653 4.350 0.002 0.000 0.384 419 T C -2.473 172.231 174.700 0.006 0.000 1.351 419 T CA -1.138 60.938 62.100 -0.040 0.000 1.198 419 T CB 1.491 70.337 68.868 -0.037 0.000 1.106 419 T HN 0.327 nan 8.240 nan 0.000 0.564 420 P HA 0.232 nan 4.420 nan 0.000 0.270 420 P C -2.492 174.819 177.300 0.018 0.000 1.223 420 P CA -1.250 61.876 63.100 0.043 0.000 0.785 420 P CB -0.267 31.463 31.700 0.049 0.000 0.923 421 P HA 0.196 nan 4.420 nan 0.000 0.276 421 P C -0.249 177.096 177.300 0.075 0.000 1.230 421 P CA 0.075 63.206 63.100 0.050 0.000 0.776 421 P CB 0.588 32.313 31.700 0.041 0.000 0.888 422 L N 2.581 123.863 121.223 0.098 0.000 2.371 422 L HA 0.258 4.599 4.340 0.002 0.000 0.272 422 L C 1.014 177.932 176.870 0.080 0.000 1.124 422 L CA -0.957 53.956 54.840 0.122 0.000 0.816 422 L CB 1.091 43.236 42.059 0.143 0.000 1.129 422 L HN 0.206 nan 8.230 nan 0.000 0.448 423 V N 4.294 124.268 119.914 0.101 0.000 2.488 423 V HA 0.257 4.379 4.120 0.002 0.000 0.277 423 V C -0.106 175.934 176.094 -0.090 0.000 1.046 423 V CA -0.058 62.273 62.300 0.053 0.000 0.986 423 V CB 0.734 32.624 31.823 0.112 0.000 0.989 423 V HN 0.776 nan 8.190 nan 0.000 0.475 424 K N 5.620 125.861 120.400 -0.266 0.000 2.443 424 K HA 0.586 4.907 4.320 0.002 0.000 0.251 424 K C -1.374 174.908 176.600 -0.529 0.000 0.972 424 K CA -0.879 55.128 56.287 -0.466 0.000 0.833 424 K CB 2.445 34.462 32.500 -0.805 0.000 1.317 424 K HN 0.612 nan 8.250 nan 0.000 0.441 425 L N 1.573 122.551 121.223 -0.408 0.000 2.290 425 L HA 0.218 4.560 4.340 0.002 0.000 0.284 425 L C 0.203 176.867 176.870 -0.343 0.000 1.078 425 L CA -0.183 54.457 54.840 -0.333 0.000 0.815 425 L CB 0.546 42.489 42.059 -0.193 0.000 1.162 425 L HN 0.697 nan 8.230 nan 0.000 0.435 426 W N 2.670 123.903 121.300 -0.112 0.000 2.863 426 W HA 0.046 4.707 4.660 0.002 0.000 0.258 426 W C -0.054 176.550 176.519 0.142 0.000 1.298 426 W CA -0.240 57.121 57.345 0.027 0.000 1.451 426 W CB 0.339 29.853 29.460 0.090 0.000 1.107 426 W HN 0.463 nan 8.180 nan 0.000 0.641 427 Y N -1.897 118.524 120.300 0.202 0.000 2.609 427 Y HA 0.584 5.136 4.550 0.002 0.000 0.336 427 Y C -0.935 175.025 175.900 0.100 0.000 1.129 427 Y CA -2.154 56.027 58.100 0.135 0.000 1.040 427 Y CB 0.384 38.919 38.460 0.125 0.000 1.310 427 Y HN -0.227 nan 8.280 nan 0.000 0.460 428 Q N 2.706 122.628 119.800 0.203 0.000 2.342 428 Q HA 0.591 4.932 4.340 0.002 0.000 0.267 428 Q C -1.220 174.920 176.000 0.234 0.000 1.038 428 Q CA -1.064 54.821 55.803 0.138 0.000 0.832 428 Q CB 3.183 31.967 28.738 0.077 0.000 1.323 428 Q HN 0.694 nan 8.270 nan 0.000 0.448 429 L N 2.143 123.495 121.223 0.215 0.000 2.349 429 L HA 0.188 4.529 4.340 0.002 0.000 0.275 429 L C 0.620 177.581 176.870 0.150 0.000 1.115 429 L CA -0.588 54.363 54.840 0.186 0.000 0.820 429 L CB 0.495 42.650 42.059 0.159 0.000 1.135 429 L HN 0.461 nan 8.230 nan 0.000 0.445 430 E N 2.390 122.694 120.200 0.173 0.000 2.418 430 E HA -0.017 4.335 4.350 0.002 0.000 0.261 430 E C 0.325 177.086 176.600 0.269 0.000 1.070 430 E CA 0.239 56.758 56.400 0.197 0.000 0.931 430 E CB 0.778 30.610 29.700 0.219 0.000 0.954 430 E HN 0.434 nan 8.360 nan 0.000 0.439 431 K N 0.867 121.381 120.400 0.190 0.000 2.334 431 K HA 0.081 4.403 4.320 0.002 0.000 0.195 431 K C 0.171 176.881 176.600 0.183 0.000 1.045 431 K CA 0.347 56.745 56.287 0.185 0.000 1.004 431 K CB 0.579 33.126 32.500 0.080 0.000 0.837 431 K HN 0.296 nan 8.250 nan 0.000 0.510 432 E N 0.541 120.736 120.200 -0.009 0.000 2.312 432 E HA 0.323 4.674 4.350 0.002 0.000 0.267 432 E C -2.778 173.318 176.600 -0.840 0.000 0.894 432 E CA -2.784 53.418 56.400 -0.329 0.000 0.773 432 E CB 1.308 30.902 29.700 -0.176 0.000 1.241 432 E HN -0.219 nan 8.360 nan 0.000 0.432 433 P HA 0.047 nan 4.420 nan 0.000 0.265 433 P C -0.299 176.785 177.300 -0.360 0.000 1.187 433 P CA 0.366 62.926 63.100 -0.900 0.000 0.766 433 P CB 0.269 31.670 31.700 -0.499 0.000 0.820 434 I N 2.554 123.015 120.570 -0.183 0.000 2.301 434 I HA 0.097 4.268 4.170 0.002 0.000 0.292 434 I C 0.292 176.379 176.117 -0.050 0.000 1.046 434 I CA -0.768 60.488 61.300 -0.074 0.000 1.282 434 I CB 0.707 38.702 38.000 -0.007 0.000 1.409 434 I HN 0.031 nan 8.210 nan 0.000 0.484 435 V N 6.697 126.582 119.914 -0.048 0.000 2.599 435 V HA 0.146 4.268 4.120 0.002 0.000 0.300 435 V C 1.364 177.452 176.094 -0.010 0.000 1.034 435 V CA 1.372 63.656 62.300 -0.028 0.000 1.115 435 V CB 0.482 32.289 31.823 -0.026 0.000 0.934 435 V HN 1.155 nan 8.190 nan 0.000 0.485 436 G N 3.756 112.556 108.800 -0.001 0.000 2.179 436 G HA2 -0.119 3.842 3.960 0.002 0.000 0.260 436 G HA3 -0.119 3.842 3.960 0.002 0.000 0.260 436 G C 0.303 175.213 174.900 0.017 0.000 0.977 436 G CA 0.154 45.258 45.100 0.007 0.000 0.641 436 G HN 1.550 nan 8.290 nan 0.000 0.533 437 A N 0.086 122.919 122.820 0.021 0.000 2.290 437 A HA 0.708 5.030 4.320 0.002 0.000 0.310 437 A C 0.340 177.960 177.584 0.060 0.000 1.202 437 A CA 0.292 52.353 52.037 0.040 0.000 0.837 437 A CB 0.645 19.668 19.000 0.038 0.000 1.139 437 A HN 0.639 nan 8.150 nan 0.000 0.509 438 E N 1.680 121.935 120.200 0.091 0.000 2.465 438 E HA 0.099 4.450 4.350 0.002 0.000 0.260 438 E C -0.527 176.165 176.600 0.154 0.000 0.980 438 E CA 0.290 56.752 56.400 0.104 0.000 0.927 438 E CB 0.343 30.130 29.700 0.145 0.000 0.934 438 E HN 0.542 nan 8.360 nan 0.000 0.459 439 T N 5.929 120.532 114.554 0.082 0.000 2.739 439 T HA 0.174 4.526 4.350 0.002 0.000 0.298 439 T C -0.626 174.106 174.700 0.052 0.000 0.929 439 T CA -0.222 61.914 62.100 0.060 0.000 1.014 439 T CB -0.220 68.651 68.868 0.005 0.000 0.914 439 T HN 0.237 nan 8.240 nan 0.000 0.509 440 F N 3.259 123.132 119.950 -0.128 0.000 2.413 440 F HA 0.306 4.834 4.527 0.002 0.000 0.359 440 F C 0.227 175.959 175.800 -0.112 0.000 1.122 440 F CA -1.171 56.768 58.000 -0.102 0.000 1.160 440 F CB 0.202 39.079 39.000 -0.204 0.000 1.146 440 F HN 0.518 nan 8.300 nan 0.000 0.514 441 Y N 3.614 123.991 120.300 0.127 0.000 2.504 441 Y HA 0.415 4.967 4.550 0.002 0.000 0.351 441 Y C 0.369 176.359 175.900 0.150 0.000 0.988 441 Y CA -0.749 57.410 58.100 0.099 0.000 1.239 441 Y CB 0.558 39.041 38.460 0.039 0.000 1.128 441 Y HN 0.391 nan 8.280 nan 0.000 0.525 442 V N 0.038 120.090 119.914 0.230 0.000 2.975 442 V HA 0.780 4.902 4.120 0.002 0.000 0.318 442 V C -0.716 175.466 176.094 0.145 0.000 1.077 442 V CA -0.582 61.852 62.300 0.224 0.000 1.000 442 V CB 2.230 34.167 31.823 0.191 0.000 1.066 442 V HN 0.609 nan 8.190 nan 0.000 0.452 443 D N 0.012 120.488 120.400 0.127 0.000 2.745 443 D HA 0.610 5.252 4.640 0.002 0.000 0.221 443 D C -0.619 175.727 176.300 0.076 0.000 1.237 443 D CA 0.357 54.404 54.000 0.078 0.000 0.781 443 D CB 2.035 42.862 40.800 0.046 0.000 1.575 443 D HN 1.190 nan 8.370 nan 0.000 0.482 444 G N 0.134 108.975 108.800 0.069 0.000 2.563 444 G HA2 0.879 4.840 3.960 0.002 0.000 0.302 444 G HA3 0.879 4.840 3.960 0.002 0.000 0.302 444 G C -1.501 173.432 174.900 0.055 0.000 1.301 444 G CA -0.399 44.741 45.100 0.067 0.000 0.965 444 G HN 0.611 nan 8.290 nan 0.000 0.480 445 A N -0.403 122.446 122.820 0.049 0.000 2.532 445 A HA 0.896 5.218 4.320 0.002 0.000 0.296 445 A C -0.493 177.114 177.584 0.038 0.000 1.058 445 A CA 0.123 52.188 52.037 0.046 0.000 0.729 445 A CB 1.188 20.218 19.000 0.050 0.000 1.285 445 A HN 2.212 nan 8.150 nan 0.000 0.396 446 A N 1.818 124.659 122.820 0.034 0.000 2.356 446 A HA 0.807 5.129 4.320 0.002 0.000 0.323 446 A C -0.408 177.190 177.584 0.023 0.000 1.119 446 A CA -0.745 51.307 52.037 0.026 0.000 0.790 446 A CB 1.066 20.079 19.000 0.021 0.000 1.273 446 A HN 0.795 nan 8.150 nan 0.000 0.452 447 N N 0.114 118.825 118.700 0.019 0.000 2.455 447 N HA 0.209 4.950 4.740 0.002 0.000 0.280 447 N C 0.789 176.306 175.510 0.012 0.000 1.055 447 N CA -0.248 52.811 53.050 0.015 0.000 0.961 447 N CB 1.430 39.924 38.487 0.013 0.000 1.121 447 N HN 0.640 nan 8.380 nan 0.000 0.476 448 R N 2.277 122.783 120.500 0.010 0.000 2.075 448 R HA -0.069 4.272 4.340 0.002 0.000 0.232 448 R C 0.932 177.235 176.300 0.006 0.000 1.126 448 R CA 1.781 57.885 56.100 0.007 0.000 0.963 448 R CB 0.168 30.471 30.300 0.006 0.000 0.858 448 R HN 0.668 nan 8.270 nan 0.000 0.435 449 E N -2.136 118.067 120.200 0.006 0.000 2.452 449 E HA 0.065 4.417 4.350 0.002 0.000 0.197 449 E C 1.167 177.771 176.600 0.006 0.000 1.022 449 E CA 0.865 57.268 56.400 0.005 0.000 0.890 449 E CB 0.591 30.293 29.700 0.004 0.000 0.918 449 E HN 0.154 nan 8.360 nan 0.000 0.496 450 T N 0.013 114.571 114.554 0.007 0.000 3.040 450 T HA 0.037 4.388 4.350 0.002 0.000 0.252 450 T C 0.391 175.096 174.700 0.008 0.000 1.064 450 T CA 0.179 62.283 62.100 0.007 0.000 1.110 450 T CB 0.110 68.983 68.868 0.008 0.000 0.921 450 T HN -0.072 nan 8.240 nan 0.000 0.480 451 K N -0.344 120.061 120.400 0.009 0.000 3.341 451 K HA -0.122 4.200 4.320 0.002 0.000 0.305 451 K C -0.561 176.046 176.600 0.013 0.000 1.270 451 K CA 0.137 56.430 56.287 0.010 0.000 0.897 451 K CB -2.087 30.419 32.500 0.009 0.000 1.264 451 K HN 0.292 nan 8.250 nan 0.000 0.468 452 L N 0.035 121.266 121.223 0.013 0.000 2.275 452 L HA 0.612 4.954 4.340 0.002 0.000 0.288 452 L C 0.686 177.567 176.870 0.017 0.000 1.046 452 L CA 0.334 55.182 54.840 0.014 0.000 0.805 452 L CB 1.148 43.214 42.059 0.012 0.000 1.193 452 L HN 0.202 nan 8.230 nan 0.000 0.426 453 G N 3.294 112.106 108.800 0.020 0.000 2.600 453 G HA2 0.704 4.666 3.960 0.002 0.000 0.303 453 G HA3 0.704 4.666 3.960 0.002 0.000 0.303 453 G C -1.451 173.463 174.900 0.024 0.000 1.253 453 G CA -0.685 44.430 45.100 0.025 0.000 0.974 453 G HN 0.439 nan 8.290 nan 0.000 0.483 454 K N -0.548 119.868 120.400 0.026 0.000 2.378 454 K HA 0.747 5.068 4.320 0.002 0.000 0.252 454 K C -0.589 176.031 176.600 0.032 0.000 0.931 454 K CA -0.329 55.972 56.287 0.022 0.000 0.794 454 K CB 2.437 34.945 32.500 0.012 0.000 1.181 454 K HN 0.752 nan 8.250 nan 0.000 0.425 455 A N 1.330 124.170 122.820 0.034 0.000 2.371 455 A HA 0.929 5.251 4.320 0.002 0.000 0.311 455 A C -0.467 177.136 177.584 0.031 0.000 1.068 455 A CA -0.258 51.810 52.037 0.052 0.000 0.744 455 A CB 1.513 20.561 19.000 0.079 0.000 1.239 455 A HN 0.716 nan 8.150 nan 0.000 0.435 456 G N -0.146 108.682 108.800 0.047 0.000 2.548 456 G HA2 0.703 4.665 3.960 0.002 0.000 0.301 456 G HA3 0.703 4.665 3.960 0.002 0.000 0.301 456 G C -1.560 173.406 174.900 0.110 0.000 1.349 456 G CA 0.036 45.124 45.100 -0.021 0.000 0.792 456 G HN 1.885 nan 8.290 nan 0.000 0.481 457 Y N -2.344 118.011 120.300 0.092 0.000 2.609 457 Y HA 0.800 5.351 4.550 0.002 0.000 0.336 457 Y C -1.133 174.792 175.900 0.042 0.000 1.129 457 Y CA -1.697 56.473 58.100 0.116 0.000 1.040 457 Y CB 1.300 39.907 38.460 0.244 0.000 1.310 457 Y HN 0.559 nan 8.280 nan 0.000 0.460 458 V N 1.980 122.075 119.914 0.301 0.000 2.735 458 V HA 0.781 4.902 4.120 0.002 0.000 0.310 458 V C -0.122 176.047 176.094 0.125 0.000 1.061 458 V CA -0.186 62.215 62.300 0.167 0.000 0.913 458 V CB 1.891 33.742 31.823 0.047 0.000 1.005 458 V HN 1.117 nan 8.190 nan 0.000 0.428 459 T N -0.568 113.961 114.554 -0.041 0.000 2.949 459 T HA 0.305 4.656 4.350 0.002 0.000 0.287 459 T C 0.930 175.613 174.700 -0.029 0.000 1.034 459 T CA -0.408 61.602 62.100 -0.151 0.000 1.018 459 T CB 1.521 70.066 68.868 -0.537 0.000 1.135 459 T HN 0.682 nan 8.240 nan 0.000 0.532 460 N N 0.902 119.615 118.700 0.021 0.000 2.459 460 N HA -0.100 4.641 4.740 0.002 0.000 0.181 460 N C 1.239 176.739 175.510 -0.016 0.000 1.046 460 N CA 0.490 53.558 53.050 0.030 0.000 0.904 460 N CB -0.324 38.207 38.487 0.073 0.000 0.964 460 N HN 0.643 nan 8.380 nan 0.000 0.444 461 R N -0.443 120.027 120.500 -0.051 0.000 2.320 461 R HA 0.153 4.494 4.340 0.002 0.000 0.211 461 R C 0.741 177.012 176.300 -0.047 0.000 0.931 461 R CA 0.480 56.552 56.100 -0.047 0.000 1.071 461 R CB 0.084 30.351 30.300 -0.055 0.000 1.025 461 R HN 0.444 nan 8.270 nan 0.000 0.495 462 G N 1.158 109.927 108.800 -0.051 0.000 2.195 462 G HA2 -0.299 3.662 3.960 0.002 0.000 0.246 462 G HA3 -0.299 3.662 3.960 0.002 0.000 0.246 462 G C 0.198 175.081 174.900 -0.029 0.000 0.984 462 G CA -0.340 44.739 45.100 -0.036 0.000 0.633 462 G HN 0.260 nan 8.290 nan 0.000 0.525 463 R N 0.684 121.160 120.500 -0.041 0.000 2.594 463 R HA 0.511 4.853 4.340 0.002 0.000 0.272 463 R C 0.248 176.591 176.300 0.072 0.000 1.074 463 R CA 0.513 56.623 56.100 0.017 0.000 1.105 463 R CB 0.277 30.589 30.300 0.020 0.000 1.008 463 R HN 0.533 nan 8.270 nan 0.000 0.472 464 Q N 1.487 121.315 119.800 0.046 0.000 2.462 464 Q HA 0.450 4.792 4.340 0.002 0.000 0.285 464 Q C -1.432 174.396 176.000 -0.287 0.000 1.035 464 Q CA -0.983 54.767 55.803 -0.090 0.000 0.799 464 Q CB 3.264 31.959 28.738 -0.071 0.000 1.452 464 Q HN 0.391 nan 8.270 nan 0.000 0.404 465 K N 0.758 120.835 120.400 -0.538 0.000 2.592 465 K HA 0.452 4.773 4.320 0.002 0.000 0.259 465 K C -2.350 174.002 176.600 -0.413 0.000 0.937 465 K CA -0.443 55.536 56.287 -0.513 0.000 0.874 465 K CB 2.195 34.270 32.500 -0.708 0.000 1.339 465 K HN 0.417 nan 8.250 nan 0.000 0.425 466 V N 4.911 124.699 119.914 -0.210 0.000 2.709 466 V HA 0.813 4.934 4.120 0.002 0.000 0.308 466 V C -1.312 174.739 176.094 -0.071 0.000 1.062 466 V CA -0.351 61.875 62.300 -0.123 0.000 0.901 466 V CB 1.867 33.641 31.823 -0.081 0.000 1.003 466 V HN 0.581 nan 8.190 nan 0.000 0.425 467 V N 2.743 122.635 119.914 -0.036 0.000 2.914 467 V HA 0.777 4.898 4.120 0.002 0.000 0.314 467 V C -0.196 175.901 176.094 0.005 0.000 1.084 467 V CA -0.376 61.918 62.300 -0.010 0.000 0.963 467 V CB 1.929 33.757 31.823 0.008 0.000 1.025 467 V HN 0.844 nan 8.190 nan 0.000 0.432 468 T N 4.688 119.248 114.554 0.009 0.000 2.875 468 T HA 0.749 5.101 4.350 0.002 0.000 0.284 468 T C -0.373 174.341 174.700 0.023 0.000 0.995 468 T CA -0.185 61.923 62.100 0.014 0.000 1.060 468 T CB 0.873 69.747 68.868 0.009 0.000 0.967 468 T HN 0.652 nan 8.240 nan 0.000 0.476 469 L N 2.694 123.932 121.223 0.025 0.000 2.381 469 L HA 0.627 4.968 4.340 0.002 0.000 0.268 469 L C 0.330 177.214 176.870 0.024 0.000 0.997 469 L CA -1.087 53.772 54.840 0.030 0.000 0.818 469 L CB 2.243 44.325 42.059 0.039 0.000 1.310 469 L HN 0.667 nan 8.230 nan 0.000 0.416 470 T N -2.600 111.967 114.554 0.023 0.000 2.823 470 T HA 0.365 4.716 4.350 0.002 0.000 0.279 470 T C -0.201 174.510 174.700 0.018 0.000 0.998 470 T CA -0.654 61.457 62.100 0.018 0.000 0.994 470 T CB 1.498 70.375 68.868 0.016 0.000 0.960 470 T HN 0.665 nan 8.240 nan 0.000 0.448 471 D N 0.940 121.349 120.400 0.015 0.000 2.890 471 D HA -0.179 4.463 4.640 0.002 0.000 0.226 471 D C -0.188 176.122 176.300 0.016 0.000 1.207 471 D CA 1.437 55.445 54.000 0.014 0.000 0.764 471 D CB -0.910 39.898 40.800 0.013 0.000 0.948 471 D HN 0.874 nan 8.370 nan 0.000 0.404 472 T N -0.041 114.524 114.554 0.018 0.000 2.926 472 T HA 0.793 5.144 4.350 0.002 0.000 0.289 472 T C 0.136 174.844 174.700 0.014 0.000 1.054 472 T CA 0.201 62.314 62.100 0.020 0.000 1.015 472 T CB 1.391 70.276 68.868 0.028 0.000 1.167 472 T HN 0.316 nan 8.240 nan 0.000 0.526 473 T N 0.046 114.607 114.554 0.011 0.000 2.937 473 T HA 0.395 4.746 4.350 0.002 0.000 0.283 473 T C 1.072 175.771 174.700 -0.002 0.000 1.012 473 T CA -0.627 61.471 62.100 -0.004 0.000 0.997 473 T CB 0.988 69.842 68.868 -0.024 0.000 1.136 473 T HN 0.589 nan 8.240 nan 0.000 0.551 474 N N 0.087 118.778 118.700 -0.014 0.000 2.244 474 N HA -0.144 4.597 4.740 0.002 0.000 0.183 474 N C 2.150 177.654 175.510 -0.010 0.000 1.016 474 N CA 1.455 54.504 53.050 -0.002 0.000 0.866 474 N CB -0.133 38.354 38.487 -0.001 0.000 0.980 474 N HN 0.816 nan 8.380 nan 0.000 0.430 475 Q N 0.170 119.920 119.800 -0.084 0.000 2.245 475 Q HA -0.052 4.289 4.340 0.002 0.000 0.201 475 Q C 1.469 177.505 176.000 0.059 0.000 0.955 475 Q CA 0.868 56.584 55.803 -0.144 0.000 0.870 475 Q CB 0.017 28.365 28.738 -0.649 0.000 0.945 475 Q HN 0.198 nan 8.270 nan 0.000 0.461 476 K N 0.870 121.298 120.400 0.047 0.000 2.097 476 K HA -0.085 4.237 4.320 0.002 0.000 0.205 476 K C 2.384 179.041 176.600 0.094 0.000 1.050 476 K CA 1.823 58.164 56.287 0.091 0.000 0.938 476 K CB -0.108 32.428 32.500 0.060 0.000 0.718 476 K HN 0.495 nan 8.250 nan 0.000 0.442 477 T N -0.759 113.840 114.554 0.075 0.000 2.821 477 T HA -0.121 4.231 4.350 0.002 0.000 0.267 477 T C 1.686 176.446 174.700 0.101 0.000 1.046 477 T CA 1.101 63.249 62.100 0.080 0.000 1.139 477 T CB -0.152 68.752 68.868 0.061 0.000 0.871 477 T HN 0.244 nan 8.240 nan 0.000 0.454 478 E N 0.659 120.928 120.200 0.115 0.000 2.106 478 E HA -0.002 4.349 4.350 0.002 0.000 0.192 478 E C 2.028 178.715 176.600 0.144 0.000 0.984 478 E CA 0.717 57.198 56.400 0.136 0.000 0.806 478 E CB -0.219 29.582 29.700 0.168 0.000 0.750 478 E HN 0.268 nan 8.360 nan 0.000 0.458 479 L N 1.121 122.439 121.223 0.158 0.000 2.093 479 L HA -0.190 4.152 4.340 0.002 0.000 0.208 479 L C 2.295 179.241 176.870 0.128 0.000 1.085 479 L CA 1.594 56.508 54.840 0.123 0.000 0.755 479 L CB -0.567 41.562 42.059 0.118 0.000 0.904 479 L HN 0.100 nan 8.230 nan 0.000 0.435 480 Q N -0.903 118.978 119.800 0.135 0.000 2.084 480 Q HA -0.114 4.227 4.340 0.002 0.000 0.202 480 Q C 2.359 178.472 176.000 0.188 0.000 0.978 480 Q CA 1.642 57.548 55.803 0.172 0.000 0.844 480 Q CB -0.432 28.386 28.738 0.135 0.000 0.898 480 Q HN 0.534 nan 8.270 nan 0.000 0.426 481 A N 0.722 123.634 122.820 0.153 0.000 1.933 481 A HA -0.153 4.168 4.320 0.002 0.000 0.218 481 A C 2.137 179.816 177.584 0.159 0.000 1.175 481 A CA 1.122 53.257 52.037 0.163 0.000 0.628 481 A CB -0.593 18.493 19.000 0.144 0.000 0.814 481 A HN 0.310 nan 8.150 nan 0.000 0.444 482 I N -2.256 118.391 120.570 0.128 0.000 2.286 482 I HA -0.190 3.981 4.170 0.002 0.000 0.245 482 I C 2.428 178.591 176.117 0.075 0.000 1.104 482 I CA 1.281 62.625 61.300 0.074 0.000 1.397 482 I CB -0.329 37.703 38.000 0.053 0.000 1.072 482 I HN 0.507 nan 8.210 nan 0.000 0.417 483 Y N 1.570 121.861 120.300 -0.015 0.000 2.165 483 Y HA -0.250 4.301 4.550 0.002 0.000 0.286 483 Y C 2.311 178.200 175.900 -0.017 0.000 1.155 483 Y CA 1.430 59.512 58.100 -0.030 0.000 1.164 483 Y CB -0.415 38.041 38.460 -0.006 0.000 0.978 483 Y HN 0.039 nan 8.280 nan 0.000 0.513 484 L N -0.561 120.661 121.223 -0.002 0.000 2.042 484 L HA -0.282 4.059 4.340 0.002 0.000 0.210 484 L C 2.591 179.429 176.870 -0.054 0.000 1.076 484 L CA 1.621 56.457 54.840 -0.007 0.000 0.749 484 L CB -0.885 41.306 42.059 0.219 0.000 0.893 484 L HN 0.395 nan 8.230 nan 0.000 0.432 485 A N -0.599 122.146 122.820 -0.126 0.000 1.969 485 A HA -0.122 4.200 4.320 0.002 0.000 0.218 485 A C 2.144 179.271 177.584 -0.762 0.000 1.169 485 A CA 1.005 52.682 52.037 -0.601 0.000 0.635 485 A CB -0.385 18.320 19.000 -0.492 0.000 0.810 485 A HN 0.414 nan 8.150 nan 0.000 0.445 486 L N -0.356 120.612 121.223 -0.425 0.000 2.072 486 L HA -0.200 4.142 4.340 0.002 0.000 0.205 486 L C 2.846 179.522 176.870 -0.324 0.000 1.079 486 L CA 1.471 56.101 54.840 -0.350 0.000 0.752 486 L CB -0.556 41.392 42.059 -0.185 0.000 0.906 486 L HN 0.652 nan 8.230 nan 0.000 0.436 487 Q N -1.127 118.459 119.800 -0.356 0.000 2.378 487 Q HA -0.100 4.242 4.340 0.002 0.000 0.205 487 Q C 0.427 176.319 176.000 -0.180 0.000 0.954 487 Q CA 0.926 56.556 55.803 -0.288 0.000 0.901 487 Q CB -0.031 28.459 28.738 -0.414 0.000 0.981 487 Q HN 0.358 nan 8.270 nan 0.000 0.483 488 D N 1.028 121.319 120.400 -0.182 0.000 2.369 488 D HA 0.065 4.706 4.640 0.002 0.000 0.211 488 D C 0.060 176.347 176.300 -0.022 0.000 1.077 488 D CA 0.278 54.257 54.000 -0.036 0.000 0.842 488 D CB 0.644 41.532 40.800 0.146 0.000 0.947 488 D HN 0.287 nan 8.370 nan 0.000 0.509 489 S N -1.164 114.409 115.700 -0.212 0.000 2.747 489 S HA 0.752 5.224 4.470 0.002 0.000 0.300 489 S C 0.810 175.362 174.600 -0.079 0.000 1.121 489 S CA -0.745 57.365 58.200 -0.150 0.000 0.995 489 S CB 1.970 64.860 63.200 -0.517 0.000 1.113 489 S HN 0.015 nan 8.310 nan 0.000 0.547 490 G N -0.372 108.416 108.800 -0.020 0.000 2.489 490 G HA2 0.383 4.344 3.960 0.002 0.000 0.271 490 G HA3 0.383 4.344 3.960 0.002 0.000 0.271 490 G C 0.593 175.471 174.900 -0.038 0.000 1.427 490 G CA -0.831 44.259 45.100 -0.016 0.000 1.057 490 G HN 0.696 nan 8.290 nan 0.000 0.532 491 L N -0.576 120.636 121.223 -0.018 0.000 2.376 491 L HA 0.147 4.489 4.340 0.002 0.000 0.219 491 L C 0.869 177.732 176.870 -0.012 0.000 1.133 491 L CA 0.903 55.734 54.840 -0.016 0.000 0.816 491 L CB -0.258 41.801 42.059 -0.001 0.000 0.933 491 L HN 0.411 nan 8.230 nan 0.000 0.449 492 E N -0.280 119.916 120.200 -0.006 0.000 2.222 492 E HA 0.568 4.919 4.350 0.002 0.000 0.267 492 E C -1.262 175.339 176.600 0.001 0.000 0.884 492 E CA -0.366 56.036 56.400 0.004 0.000 0.764 492 E CB 3.356 33.066 29.700 0.016 0.000 1.169 492 E HN -0.194 nan 8.360 nan 0.000 0.413 493 V N 3.245 123.159 119.914 -0.000 0.000 2.882 493 V HA 0.250 4.372 4.120 0.002 0.000 0.295 493 V C -1.803 174.308 176.094 0.028 0.000 1.273 493 V CA -0.752 61.545 62.300 -0.005 0.000 0.949 493 V CB 2.020 33.752 31.823 -0.151 0.000 1.071 493 V HN 0.669 nan 8.190 nan 0.000 0.432 494 N N 6.384 125.130 118.700 0.077 0.000 2.456 494 N HA 0.640 5.382 4.740 0.002 0.000 0.288 494 N C -0.960 174.575 175.510 0.041 0.000 1.059 494 N CA -0.193 52.921 53.050 0.106 0.000 0.946 494 N CB 2.249 40.810 38.487 0.124 0.000 1.150 494 N HN 0.637 nan 8.380 nan 0.000 0.479 495 I N 1.521 122.084 120.570 -0.012 0.000 2.499 495 I HA 0.254 4.426 4.170 0.002 0.000 0.288 495 I C -0.643 175.408 176.117 -0.110 0.000 1.048 495 I CA -0.922 60.342 61.300 -0.061 0.000 1.062 495 I CB 2.187 40.139 38.000 -0.080 0.000 1.238 495 I HN -0.008 nan 8.210 nan 0.000 0.426 496 V N 4.864 124.672 119.914 -0.177 0.000 2.334 496 V HA 0.415 4.537 4.120 0.002 0.000 0.281 496 V C 0.123 176.166 176.094 -0.085 0.000 1.016 496 V CA -0.283 61.897 62.300 -0.200 0.000 0.832 496 V CB 1.548 33.089 31.823 -0.471 0.000 0.999 496 V HN 0.808 nan 8.190 nan 0.000 0.439 497 T N 1.766 116.290 114.554 -0.050 0.000 2.940 497 T HA 0.458 4.809 4.350 0.002 0.000 0.288 497 T C 0.100 174.736 174.700 -0.108 0.000 1.045 497 T CA -0.401 61.694 62.100 -0.008 0.000 1.018 497 T CB 1.718 70.625 68.868 0.066 0.000 1.151 497 T HN 0.846 nan 8.240 nan 0.000 0.529 498 D N 0.284 120.634 120.400 -0.084 0.000 2.501 498 D HA 0.184 4.826 4.640 0.002 0.000 0.224 498 D C 0.127 176.564 176.300 0.227 0.000 1.202 498 D CA -0.248 53.621 54.000 -0.219 0.000 0.829 498 D CB 0.025 40.675 40.800 -0.249 0.000 1.023 498 D HN 0.232 nan 8.370 nan 0.000 0.499 499 S N 0.601 116.484 115.700 0.306 0.000 2.434 499 S HA 0.119 4.590 4.470 0.002 0.000 0.318 499 S C 1.038 175.853 174.600 0.358 0.000 1.062 499 S CA -0.549 57.851 58.200 0.334 0.000 1.116 499 S CB 1.138 64.487 63.200 0.248 0.000 0.977 499 S HN 0.241 nan 8.310 nan 0.000 0.480 500 Q N 4.431 124.405 119.800 0.289 0.000 2.124 500 Q HA -0.202 4.139 4.340 0.002 0.000 0.202 500 Q C 1.373 177.403 176.000 0.050 0.000 0.977 500 Q CA 1.864 57.650 55.803 -0.028 0.000 0.850 500 Q CB -0.319 28.284 28.738 -0.225 0.000 0.901 500 Q HN 0.964 nan 8.270 nan 0.000 0.429 501 Y N 0.436 120.751 120.300 0.024 0.000 2.053 501 Y HA -0.319 4.232 4.550 0.002 0.000 0.277 501 Y C 2.125 178.048 175.900 0.038 0.000 1.159 501 Y CA 2.214 60.334 58.100 0.033 0.000 1.125 501 Y CB -0.831 37.661 38.460 0.054 0.000 0.969 501 Y HN 0.218 nan 8.280 nan 0.000 0.492 502 A N -0.087 122.749 122.820 0.028 0.000 1.933 502 A HA -0.184 4.138 4.320 0.002 0.000 0.218 502 A C 2.216 179.746 177.584 -0.090 0.000 1.175 502 A CA 1.807 53.789 52.037 -0.093 0.000 0.628 502 A CB -1.224 17.821 19.000 0.076 0.000 0.814 502 A HN 0.577 nan 8.150 nan 0.000 0.444 503 L N -0.039 121.177 121.223 -0.010 0.000 2.056 503 L HA 0.047 4.388 4.340 0.002 0.000 0.207 503 L C 2.412 179.262 176.870 -0.035 0.000 1.078 503 L CA 2.096 56.932 54.840 -0.008 0.000 0.749 503 L CB -1.039 41.031 42.059 0.019 0.000 0.901 503 L HN 0.302 nan 8.230 nan 0.000 0.433 504 G N -0.054 108.701 108.800 -0.076 0.000 2.446 504 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 504 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 504 G C 1.614 176.546 174.900 0.054 0.000 1.168 504 G CA 1.335 46.411 45.100 -0.039 0.000 0.771 504 G HN 0.467 nan 8.290 nan 0.000 0.551 505 I N 0.480 120.995 120.570 -0.091 0.000 2.142 505 I HA -0.140 4.032 4.170 0.002 0.000 0.240 505 I C 2.693 178.811 176.117 0.002 0.000 1.078 505 I CA 1.053 62.283 61.300 -0.117 0.000 1.343 505 I CB -0.253 37.485 38.000 -0.436 0.000 1.046 505 I HN 0.142 nan 8.210 nan 0.000 0.405 506 I N -0.043 120.521 120.570 -0.009 0.000 2.353 506 I HA -0.254 3.917 4.170 0.002 0.000 0.248 506 I C 2.487 178.708 176.117 0.174 0.000 1.119 506 I CA 1.182 62.525 61.300 0.071 0.000 1.417 506 I CB -0.331 37.682 38.000 0.021 0.000 1.078 506 I HN 0.288 nan 8.210 nan 0.000 0.421 507 Q N 0.656 120.554 119.800 0.163 0.000 2.436 507 Q HA -0.054 4.287 4.340 0.002 0.000 0.209 507 Q C 2.183 178.374 176.000 0.319 0.000 0.965 507 Q CA 0.904 56.835 55.803 0.213 0.000 0.910 507 Q CB 0.057 28.897 28.738 0.169 0.000 0.980 507 Q HN 0.551 nan 8.270 nan 0.000 0.491 508 A N 0.057 123.097 122.820 0.367 0.000 2.119 508 A HA -0.159 4.163 4.320 0.002 0.000 0.217 508 A C 0.959 178.730 177.584 0.312 0.000 1.153 508 A CA 1.035 53.315 52.037 0.405 0.000 0.692 508 A CB -0.099 19.152 19.000 0.419 0.000 0.799 508 A HN 0.548 nan 8.150 nan 0.000 0.458 509 Q N -2.314 117.637 119.800 0.252 0.000 2.488 509 Q HA -0.104 4.238 4.340 0.002 0.000 0.279 509 Q C -2.333 173.704 176.000 0.061 0.000 1.174 509 Q CA 0.299 56.181 55.803 0.130 0.000 0.888 509 Q CB -1.720 27.071 28.738 0.087 0.000 1.254 509 Q HN 0.439 nan 8.270 nan 0.000 0.475 510 P HA -0.014 nan 4.420 nan 0.000 0.266 510 P C -0.068 177.349 177.300 0.195 0.000 1.195 510 P CA 0.834 64.021 63.100 0.145 0.000 0.768 510 P CB 0.454 32.251 31.700 0.162 0.000 0.838 511 D N 0.643 121.123 120.400 0.134 0.000 2.469 511 D HA 0.032 4.673 4.640 0.002 0.000 0.213 511 D C -0.012 176.350 176.300 0.103 0.000 1.135 511 D CA 0.085 54.192 54.000 0.179 0.000 0.834 511 D CB 0.123 41.079 40.800 0.259 0.000 1.009 511 D HN 0.521 nan 8.370 nan 0.000 0.507 512 Q N -1.624 118.234 119.800 0.097 0.000 2.438 512 Q HA 0.586 4.927 4.340 0.002 0.000 0.272 512 Q C -1.643 174.419 176.000 0.103 0.000 0.994 512 Q CA -0.919 54.927 55.803 0.071 0.000 0.887 512 Q CB 1.765 30.536 28.738 0.055 0.000 1.432 512 Q HN -0.053 nan 8.270 nan 0.000 0.392 513 S N 0.192 115.947 115.700 0.092 0.000 2.596 513 S HA 0.292 4.763 4.470 0.002 0.000 0.270 513 S C -0.419 174.227 174.600 0.077 0.000 1.155 513 S CA -0.383 57.903 58.200 0.143 0.000 0.827 513 S CB 2.058 65.410 63.200 0.253 0.000 1.130 513 S HN 0.741 nan 8.310 nan 0.000 0.467 514 E N 0.792 121.029 120.200 0.061 0.000 2.230 514 E HA 0.084 4.436 4.350 0.002 0.000 0.192 514 E C 0.271 176.900 176.600 0.048 0.000 0.987 514 E CA 0.183 56.599 56.400 0.028 0.000 0.841 514 E CB 0.225 29.922 29.700 -0.005 0.000 0.783 514 E HN 0.420 nan 8.360 nan 0.000 0.481 515 S N 0.755 116.515 115.700 0.099 0.000 2.505 515 S HA -0.006 4.465 4.470 0.002 0.000 0.276 515 S C 0.899 175.518 174.600 0.032 0.000 1.274 515 S CA -0.378 57.874 58.200 0.087 0.000 1.053 515 S CB 1.180 64.472 63.200 0.153 0.000 0.919 515 S HN 0.074 nan 8.310 nan 0.000 0.490 516 E N 4.265 124.464 120.200 -0.000 0.000 2.072 516 E HA -0.057 4.294 4.350 0.002 0.000 0.191 516 E C 1.760 178.303 176.600 -0.095 0.000 0.985 516 E CA 1.236 57.612 56.400 -0.039 0.000 0.801 516 E CB -0.310 29.369 29.700 -0.036 0.000 0.750 516 E HN 0.803 nan 8.360 nan 0.000 0.452 517 L N -0.246 120.918 121.223 -0.098 0.000 1.990 517 L HA -0.226 4.115 4.340 0.002 0.000 0.213 517 L C 2.197 178.943 176.870 -0.206 0.000 1.072 517 L CA 1.518 56.245 54.840 -0.189 0.000 0.755 517 L CB -0.323 41.677 42.059 -0.099 0.000 0.889 517 L HN 0.139 nan 8.230 nan 0.000 0.432 518 V N 0.024 119.879 119.914 -0.097 0.000 2.407 518 V HA -0.315 3.806 4.120 0.002 0.000 0.248 518 V C 1.998 178.042 176.094 -0.083 0.000 1.055 518 V CA 2.306 64.552 62.300 -0.089 0.000 1.049 518 V CB -0.868 30.926 31.823 -0.048 0.000 0.662 518 V HN 0.550 nan 8.190 nan 0.000 0.455 519 N N -0.458 118.204 118.700 -0.064 0.000 2.166 519 N HA -0.217 4.524 4.740 0.002 0.000 0.186 519 N C 1.947 177.394 175.510 -0.105 0.000 1.019 519 N CA 1.116 54.129 53.050 -0.061 0.000 0.856 519 N CB -0.119 38.340 38.487 -0.047 0.000 0.993 519 N HN 0.590 nan 8.380 nan 0.000 0.426 520 Q N 0.657 120.344 119.800 -0.189 0.000 2.050 520 Q HA -0.091 4.251 4.340 0.002 0.000 0.202 520 Q C 2.042 177.947 176.000 -0.158 0.000 0.980 520 Q CA 1.042 56.692 55.803 -0.254 0.000 0.840 520 Q CB -0.050 28.292 28.738 -0.661 0.000 0.898 520 Q HN 0.450 nan 8.270 nan 0.000 0.424 521 I N 0.448 120.899 120.570 -0.199 0.000 2.264 521 I HA -0.297 3.875 4.170 0.002 0.000 0.248 521 I C 2.129 178.194 176.117 -0.087 0.000 1.111 521 I CA 1.100 62.373 61.300 -0.046 0.000 1.382 521 I CB -0.253 37.706 38.000 -0.068 0.000 1.060 521 I HN 0.232 nan 8.210 nan 0.000 0.418 522 I N 0.976 121.487 120.570 -0.098 0.000 2.163 522 I HA -0.285 3.886 4.170 0.002 0.000 0.240 522 I C 2.621 178.673 176.117 -0.107 0.000 1.081 522 I CA 1.705 62.940 61.300 -0.108 0.000 1.353 522 I CB -0.467 37.532 38.000 -0.002 0.000 1.054 522 I HN 0.308 nan 8.210 nan 0.000 0.407 523 E N 0.673 120.833 120.200 -0.067 0.000 2.130 523 E HA -0.340 4.011 4.350 0.002 0.000 0.196 523 E C 2.048 178.619 176.600 -0.048 0.000 0.998 523 E CA 1.313 57.679 56.400 -0.057 0.000 0.806 523 E CB -0.377 29.298 29.700 -0.042 0.000 0.738 523 E HN 0.347 nan 8.360 nan 0.000 0.459 524 Q N 0.888 120.671 119.800 -0.029 0.000 2.079 524 Q HA -0.015 4.326 4.340 0.002 0.000 0.200 524 Q C 2.103 178.041 176.000 -0.105 0.000 0.974 524 Q CA 1.374 57.160 55.803 -0.028 0.000 0.840 524 Q CB -0.180 28.588 28.738 0.050 0.000 0.898 524 Q HN 0.455 nan 8.270 nan 0.000 0.430 525 L N -0.466 120.633 121.223 -0.206 0.000 2.141 525 L HA -0.121 4.221 4.340 0.002 0.000 0.209 525 L C 2.095 178.832 176.870 -0.223 0.000 1.094 525 L CA 0.795 55.421 54.840 -0.356 0.000 0.763 525 L CB -0.332 41.206 42.059 -0.867 0.000 0.908 525 L HN 0.270 nan 8.230 nan 0.000 0.437 526 I N -0.527 119.979 120.570 -0.107 0.000 2.439 526 I HA -0.235 3.937 4.170 0.002 0.000 0.251 526 I C 2.325 178.474 176.117 0.053 0.000 1.139 526 I CA 1.114 62.458 61.300 0.073 0.000 1.438 526 I CB -0.250 37.805 38.000 0.093 0.000 1.085 526 I HN 0.206 nan 8.210 nan 0.000 0.427 527 K N 0.678 121.078 120.400 0.000 0.000 2.228 527 K HA -0.004 4.318 4.320 0.002 0.000 0.202 527 K C 0.703 177.304 176.600 0.001 0.000 1.051 527 K CA 0.419 56.708 56.287 0.003 0.000 0.960 527 K CB 0.063 32.555 32.500 -0.015 0.000 0.743 527 K HN 0.137 nan 8.250 nan 0.000 0.458 528 K N 1.261 121.652 120.400 -0.016 0.000 2.230 528 K HA -0.027 4.294 4.320 0.002 0.000 0.253 528 K C 0.973 177.585 176.600 0.020 0.000 1.008 528 K CA 0.435 56.713 56.287 -0.015 0.000 0.910 528 K CB 0.785 33.260 32.500 -0.042 0.000 0.994 528 K HN -0.048 nan 8.250 nan 0.000 0.495 529 E N 0.605 120.817 120.200 0.019 0.000 2.290 529 E HA 0.077 4.428 4.350 0.002 0.000 0.197 529 E C -0.594 176.032 176.600 0.044 0.000 0.948 529 E CA 0.846 57.268 56.400 0.036 0.000 0.895 529 E CB 0.526 30.242 29.700 0.027 0.000 0.865 529 E HN 0.316 nan 8.360 nan 0.000 0.486 530 K N -0.304 120.117 120.400 0.035 0.000 2.565 530 K HA 0.466 4.787 4.320 0.002 0.000 0.251 530 K C -1.790 174.837 176.600 0.045 0.000 0.956 530 K CA -0.522 55.795 56.287 0.051 0.000 0.809 530 K CB 2.974 35.502 32.500 0.046 0.000 1.267 530 K HN -0.232 nan 8.250 nan 0.000 0.438 531 V N 3.143 123.098 119.914 0.069 0.000 2.577 531 V HA 0.344 4.465 4.120 0.002 0.000 0.303 531 V C -1.538 174.632 176.094 0.127 0.000 1.042 531 V CA -0.891 61.443 62.300 0.056 0.000 0.872 531 V CB 1.470 33.292 31.823 -0.002 0.000 0.998 531 V HN 0.709 nan 8.190 nan 0.000 0.423 532 Y N 5.724 126.021 120.300 -0.004 0.000 2.328 532 Y HA 0.683 5.234 4.550 0.002 0.000 0.336 532 Y C -1.023 174.876 175.900 -0.002 0.000 0.960 532 Y CA -0.979 57.125 58.100 0.007 0.000 1.134 532 Y CB 1.429 39.890 38.460 0.002 0.000 1.166 532 Y HN 0.508 nan 8.280 nan 0.000 0.464 533 L N 6.343 127.223 121.223 -0.572 0.000 2.313 533 L HA 0.831 5.172 4.340 0.002 0.000 0.283 533 L C -0.903 175.623 176.870 -0.573 0.000 1.013 533 L CA -0.356 54.246 54.840 -0.397 0.000 0.816 533 L CB 0.747 42.693 42.059 -0.188 0.000 1.236 533 L HN 0.879 nan 8.230 nan 0.000 0.419 534 A N 4.664 127.291 122.820 -0.321 0.000 2.413 534 A HA 0.650 4.972 4.320 0.002 0.000 0.307 534 A C -1.957 175.646 177.584 0.032 0.000 1.087 534 A CA -0.572 51.371 52.037 -0.156 0.000 0.750 534 A CB 1.343 20.318 19.000 -0.042 0.000 1.296 534 A HN 0.757 nan 8.150 nan 0.000 0.423 535 W N 1.727 122.982 121.300 -0.075 0.000 2.606 535 W HA 0.652 5.314 4.660 0.002 0.000 0.332 535 W C -1.468 175.049 176.519 -0.004 0.000 1.052 535 W CA -0.367 56.955 57.345 -0.038 0.000 1.223 535 W CB 1.682 31.117 29.460 -0.041 0.000 1.383 535 W HN 0.557 nan 8.180 nan 0.000 0.524 536 V N 6.207 125.498 119.914 -1.039 0.000 2.876 536 V HA 0.453 4.575 4.120 0.002 0.000 0.312 536 V C -2.173 172.813 176.094 -1.847 0.000 1.085 536 V CA -2.375 59.294 62.300 -1.051 0.000 0.945 536 V CB 2.489 34.048 31.823 -0.439 0.000 1.017 536 V HN 0.404 nan 8.190 nan 0.000 0.428 537 P HA 0.283 nan 4.420 nan 0.000 0.271 537 P C -0.592 176.493 177.300 -0.359 0.000 1.233 537 P CA 0.126 62.834 63.100 -0.654 0.000 0.764 537 P CB 0.582 32.188 31.700 -0.157 0.000 0.825 538 A N 3.265 125.936 122.820 -0.248 0.000 2.366 538 A HA 0.232 4.553 4.320 0.002 0.000 0.249 538 A C 0.447 177.934 177.584 -0.161 0.000 1.084 538 A CA 0.060 51.925 52.037 -0.287 0.000 0.794 538 A CB -0.859 17.921 19.000 -0.367 0.000 1.034 538 A HN 0.837 nan 8.150 nan 0.000 0.491 539 H N -1.288 117.762 119.070 -0.032 0.000 3.612 539 H HA -0.132 4.425 4.556 0.002 0.000 0.212 539 H C 0.694 176.010 175.328 -0.020 0.000 1.041 539 H CA 1.297 57.335 56.048 -0.017 0.000 1.205 539 H CB -0.630 29.131 29.762 -0.000 0.000 1.159 539 H HN 0.503 nan 8.280 nan 0.000 0.323 540 K N 0.953 121.375 120.400 0.036 0.000 2.504 540 K HA 0.169 4.490 4.320 0.002 0.000 0.199 540 K C 1.313 177.910 176.600 -0.006 0.000 1.028 540 K CA 0.848 57.145 56.287 0.017 0.000 1.164 540 K CB -0.006 32.489 32.500 -0.008 0.000 0.877 540 K HN 0.632 nan 8.250 nan 0.000 0.508 541 G N 1.766 110.562 108.800 -0.007 0.000 2.198 541 G HA2 -0.232 3.730 3.960 0.002 0.000 0.260 541 G HA3 -0.232 3.730 3.960 0.002 0.000 0.260 541 G C 0.199 175.075 174.900 -0.040 0.000 1.025 541 G CA -0.179 44.911 45.100 -0.018 0.000 0.769 541 G HN 0.209 nan 8.290 nan 0.000 0.507 542 I N 1.054 121.589 120.570 -0.058 0.000 2.588 542 I HA 0.249 4.421 4.170 0.002 0.000 0.283 542 I C 2.109 178.172 176.117 -0.090 0.000 1.119 542 I CA 0.529 61.792 61.300 -0.062 0.000 1.419 542 I CB 0.127 38.087 38.000 -0.068 0.000 1.394 542 I HN 0.158 nan 8.210 nan 0.000 0.562 543 G N 5.345 114.083 108.800 -0.103 0.000 2.863 543 G HA2 -0.294 3.667 3.960 0.002 0.000 0.217 543 G HA3 -0.294 3.667 3.960 0.002 0.000 0.217 543 G C 1.415 176.130 174.900 -0.309 0.000 1.315 543 G CA 1.040 46.035 45.100 -0.175 0.000 0.796 543 G HN 0.807 nan 8.290 nan 0.000 0.669 544 G N 0.475 108.894 108.800 -0.635 0.000 2.448 544 G HA2 -0.249 3.712 3.960 0.002 0.000 0.219 544 G HA3 -0.249 3.712 3.960 0.002 0.000 0.219 544 G C 1.700 176.380 174.900 -0.367 0.000 1.127 544 G CA 1.373 45.816 45.100 -1.095 0.000 0.766 544 G HN 0.543 nan 8.290 nan 0.000 0.552 545 N N 0.643 119.266 118.700 -0.129 0.000 2.062 545 N HA -0.088 4.653 4.740 0.002 0.000 0.191 545 N C 1.626 177.093 175.510 -0.071 0.000 1.042 545 N CA 0.909 53.940 53.050 -0.032 0.000 0.845 545 N CB -0.155 38.294 38.487 -0.064 0.000 1.024 545 N HN 0.054 nan 8.380 nan 0.000 0.424 546 E N 0.323 120.471 120.200 -0.088 0.000 2.321 546 E HA 0.025 4.377 4.350 0.002 0.000 0.189 546 E C 0.239 176.801 176.600 -0.063 0.000 1.125 546 E CA 0.195 56.558 56.400 -0.062 0.000 1.005 546 E CB 0.112 29.785 29.700 -0.045 0.000 1.140 546 E HN 0.572 nan 8.360 nan 0.000 0.457 547 Q N -1.227 118.525 119.800 -0.080 0.000 2.210 547 Q HA 0.088 4.429 4.340 0.002 0.000 0.252 547 Q C 1.536 177.507 176.000 -0.048 0.000 0.811 547 Q CA 0.105 55.863 55.803 -0.074 0.000 0.953 547 Q CB 1.039 29.709 28.738 -0.114 0.000 1.136 547 Q HN 0.067 nan 8.270 nan 0.000 0.491 548 V N 0.828 120.725 119.914 -0.029 0.000 3.565 548 V HA -0.038 4.083 4.120 0.002 0.000 0.260 548 V C 1.480 177.577 176.094 0.005 0.000 1.231 548 V CA 1.140 63.444 62.300 0.007 0.000 1.100 548 V CB 0.541 32.406 31.823 0.070 0.000 0.807 548 V HN 0.284 nan 8.190 nan 0.000 0.454 549 D N 0.195 120.589 120.400 -0.010 0.000 2.194 549 D HA -0.192 4.450 4.640 0.002 0.000 0.204 549 D C 1.995 178.296 176.300 0.003 0.000 0.964 549 D CA 1.146 55.139 54.000 -0.012 0.000 0.846 549 D CB 0.310 41.082 40.800 -0.047 0.000 0.962 549 D HN 0.510 nan 8.370 nan 0.000 0.490 550 K N -0.248 120.149 120.400 -0.006 0.000 2.155 550 K HA -0.057 4.265 4.320 0.002 0.000 0.203 550 K C 2.029 178.625 176.600 -0.006 0.000 1.052 550 K CA 0.465 56.751 56.287 -0.002 0.000 0.948 550 K CB 0.072 32.565 32.500 -0.012 0.000 0.728 550 K HN 0.023 nan 8.250 nan 0.000 0.448 551 L N 0.373 121.588 121.223 -0.013 0.000 2.418 551 L HA 0.064 4.405 4.340 0.002 0.000 0.218 551 L C 0.762 177.624 176.870 -0.013 0.000 1.125 551 L CA 0.382 55.211 54.840 -0.018 0.000 0.835 551 L CB 0.245 42.285 42.059 -0.031 0.000 0.953 551 L HN 0.107 nan 8.230 nan 0.000 0.454 552 V N 0.000 119.912 119.914 -0.003 0.000 2.409 552 V HA 0.000 4.121 4.120 0.002 0.000 0.244 552 V CA 0.000 62.303 62.300 0.005 0.000 1.235 552 V CB 0.000 31.831 31.823 0.013 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556