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 2iob_1_A DATA FIRST_RESID 12 DATA SEQUENCE FGTLLGYAPG GVAIYSSDYS SLDPQEYEDD AVFRSYIDDE YMGHKWQCVE DATA SEQUENCE FARRFLFLNY GVVFTDVGMA WEIFSLRFLR EVVNDNILPL QAFPNGSPRA DATA SEQUENCE PVAGALLIWD KGGEFKDTGH VAIITQLHGN KVRIAEQNVI HSPLPQGQQW DATA SEQUENCE TRELEMVVEN GCYTLKDTFD DTTILGWMIQ TEDTEYSLPQ PEIAGELLKI DATA SEQUENCE SGARLENKGQ FDGKWLDEKD PLQNAYVQAN GQVINQDPYH YYTITESAEQ DATA SEQUENCE ELIKATNELH LMYLHATDKV LKDDNLLALF DIPKILWPRL RLSWQRRRHH DATA SEQUENCE MITGRMDFCM DERGLKVYEY NADSASCHTE AGLILERWAE QGYKGNGFNP DATA SEQUENCE AEGLINELAG AWKHSRARPF VHIMQDKDIE ENYHAQFMEQ ALHQAGFETR DATA SEQUENCE ILRGLDELGW DAAGQLIDGE GRLVNCVWKT WAWETAFDQI REVSDREFAA DATA SEQUENCE VPIRTGHPQN EVRLIDVLLR PEVLVFEPLW TVIPGNKAIL PILWSLFPHH DATA SEQUENCE RYLLDTDFTV NXXXXXXXYA VKPXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXKNIYQQLW CLPKVDGKYI QVCTFTVGGN YGGTCLRGDE SLVIKKESDI DATA SEQUENCE EPLIVVK 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 12 F HA 0.000 nan 4.527 nan 0.000 0.279 12 F C 0.000 175.944 175.800 0.240 0.000 0.967 12 F CA 0.000 58.109 58.000 0.182 0.000 1.383 12 F CB 0.000 39.134 39.000 0.223 0.000 1.145 13 G N 3.047 111.450 108.800 -0.663 0.000 2.272 13 G HA2 0.164 4.127 3.960 0.005 0.000 0.280 13 G HA3 0.164 4.127 3.960 0.005 0.000 0.280 13 G C -0.216 174.592 174.900 -0.154 0.000 0.571 13 G CA 1.060 45.881 45.100 -0.465 0.000 2.012 13 G HN 0.539 nan 8.290 nan 0.000 0.546 14 T N 1.126 115.636 114.554 -0.073 0.000 2.837 14 T HA 0.340 4.692 4.350 0.005 0.000 0.285 14 T C 0.220 174.908 174.700 -0.021 0.000 0.984 14 T CA -0.593 61.502 62.100 -0.009 0.000 1.049 14 T CB 1.933 70.809 68.868 0.013 0.000 0.947 14 T HN 0.239 nan 8.240 nan 0.000 0.472 15 L N 4.528 125.740 121.223 -0.018 0.000 2.433 15 L HA 0.273 4.616 4.340 0.005 0.000 0.275 15 L C 0.502 177.236 176.870 -0.226 0.000 1.128 15 L CA 0.259 54.987 54.840 -0.187 0.000 0.875 15 L CB -0.238 41.730 42.059 -0.151 0.000 1.171 15 L HN 0.699 nan 8.230 nan 0.000 0.463 16 L N 5.052 126.082 121.223 -0.322 0.000 2.554 16 L HA 0.513 4.856 4.340 0.005 0.000 0.225 16 L C 1.046 177.772 176.870 -0.240 0.000 1.104 16 L CA 0.355 55.052 54.840 -0.237 0.000 0.866 16 L CB -0.490 41.431 42.059 -0.231 0.000 1.047 16 L HN 0.883 nan 8.230 nan 0.000 0.468 17 G N -1.241 107.358 108.800 -0.336 0.000 2.350 17 G HA2 0.132 4.095 3.960 0.005 0.000 0.282 17 G HA3 0.132 4.095 3.960 0.005 0.000 0.282 17 G C -2.117 172.560 174.900 -0.371 0.000 1.314 17 G CA -0.774 44.199 45.100 -0.212 0.000 0.915 17 G HN -0.186 nan 8.290 nan 0.000 0.499 18 Y N -0.054 120.180 120.300 -0.110 0.000 2.512 18 Y HA 0.768 5.321 4.550 0.005 0.000 0.348 18 Y C 0.748 176.677 175.900 0.050 0.000 0.990 18 Y CA -0.010 58.066 58.100 -0.039 0.000 1.033 18 Y CB 2.179 40.619 38.460 -0.035 0.000 1.259 18 Y HN 0.998 nan 8.280 nan 0.000 0.461 19 A N 2.685 125.707 122.820 0.337 0.000 2.252 19 A HA 0.761 5.084 4.320 0.005 0.000 0.305 19 A C -2.726 175.075 177.584 0.361 0.000 1.097 19 A CA -2.055 50.220 52.037 0.397 0.000 0.849 19 A CB 0.061 19.462 19.000 0.667 0.000 1.142 19 A HN 0.501 nan 8.150 nan 0.000 0.499 20 P HA 0.251 nan 4.420 nan 0.000 0.265 20 P C 0.863 178.218 177.300 0.092 0.000 1.187 20 P CA 2.102 65.334 63.100 0.221 0.000 0.766 20 P CB 0.494 32.343 31.700 0.248 0.000 0.820 21 G N 1.697 110.489 108.800 -0.012 0.000 2.176 21 G HA2 -0.051 3.912 3.960 0.005 0.000 0.232 21 G HA3 -0.051 3.912 3.960 0.005 0.000 0.232 21 G C 0.737 175.579 174.900 -0.097 0.000 0.986 21 G CA 0.209 45.232 45.100 -0.128 0.000 0.643 21 G HN 1.076 nan 8.290 nan 0.000 0.522 22 G N -1.873 106.919 108.800 -0.013 0.000 2.149 22 G HA2 0.057 4.020 3.960 0.005 0.000 0.235 22 G HA3 0.057 4.020 3.960 0.005 0.000 0.235 22 G C 0.237 175.264 174.900 0.212 0.000 1.018 22 G CA 0.467 45.579 45.100 0.019 0.000 0.728 22 G HN 1.654 nan 8.290 nan 0.000 0.508 23 V N 0.928 120.963 119.914 0.202 0.000 2.385 23 V HA 0.677 4.800 4.120 0.005 0.000 0.269 23 V C 1.034 177.242 176.094 0.191 0.000 1.043 23 V CA -0.295 62.106 62.300 0.168 0.000 0.906 23 V CB 1.054 32.918 31.823 0.068 0.000 0.995 23 V HN 1.124 nan 8.190 nan 0.000 0.467 24 A N 6.694 129.471 122.820 -0.072 0.000 2.440 24 A HA 0.621 4.944 4.320 0.005 0.000 0.251 24 A C -0.163 177.079 177.584 -0.571 0.000 1.089 24 A CA -0.204 51.406 52.037 -0.711 0.000 0.779 24 A CB -0.032 18.372 19.000 -0.993 0.000 1.022 24 A HN 0.801 nan 8.150 nan 0.000 0.492 25 I N 2.685 122.829 120.570 -0.711 0.000 2.312 25 I HA 0.309 4.482 4.170 0.005 0.000 0.290 25 I C -0.951 174.694 176.117 -0.787 0.000 1.008 25 I CA -0.155 60.815 61.300 -0.549 0.000 1.226 25 I CB 0.627 38.358 38.000 -0.447 0.000 1.371 25 I HN 0.629 nan 8.210 nan 0.000 0.468 26 Y N 3.349 123.408 120.300 -0.402 0.000 2.487 26 Y HA 0.390 4.943 4.550 0.005 0.000 0.337 26 Y C 0.690 176.418 175.900 -0.286 0.000 1.076 26 Y CA -0.875 56.892 58.100 -0.555 0.000 1.115 26 Y CB 1.924 39.593 38.460 -1.318 0.000 1.235 26 Y HN 0.536 nan 8.280 nan 0.000 0.468 27 S N 0.024 115.701 115.700 -0.039 0.000 2.525 27 S HA 0.276 4.749 4.470 0.005 0.000 0.278 27 S C 0.083 174.804 174.600 0.202 0.000 1.234 27 S CA -0.749 57.518 58.200 0.112 0.000 1.058 27 S CB 1.475 64.776 63.200 0.168 0.000 0.983 27 S HN 0.598 nan 8.310 nan 0.000 0.495 28 S N 1.774 117.708 115.700 0.389 0.000 2.560 28 S HA 0.128 4.601 4.470 0.005 0.000 0.227 28 S C -0.227 174.651 174.600 0.464 0.000 1.280 28 S CA -0.675 57.861 58.200 0.560 0.000 1.260 28 S CB -0.716 62.886 63.200 0.670 0.000 1.002 28 S HN 0.793 nan 8.310 nan 0.000 0.509 29 D N 2.205 122.845 120.400 0.400 0.000 2.383 29 D HA 0.006 4.649 4.640 0.005 0.000 0.245 29 D C 0.574 177.001 176.300 0.212 0.000 1.263 29 D CA -0.165 53.887 54.000 0.086 0.000 0.936 29 D CB 0.177 40.998 40.800 0.036 0.000 1.053 29 D HN 0.396 nan 8.370 nan 0.000 0.507 30 Y N 2.519 122.720 120.300 -0.165 0.000 2.084 30 Y HA -0.193 4.360 4.550 0.005 0.000 0.279 30 Y C 2.662 178.355 175.900 -0.344 0.000 1.119 30 Y CA 0.152 57.925 58.100 -0.546 0.000 1.101 30 Y CB -1.397 36.604 38.460 -0.766 0.000 0.989 30 Y HN 0.340 nan 8.280 nan 0.000 0.484 31 S N 0.395 116.025 115.700 -0.116 0.000 2.498 31 S HA -0.400 4.073 4.470 0.005 0.000 0.391 31 S C 1.961 176.517 174.600 -0.074 0.000 1.216 31 S CA 3.198 61.339 58.200 -0.099 0.000 1.870 31 S CB -1.586 61.549 63.200 -0.108 0.000 1.585 31 S HN 0.715 nan 8.310 nan 0.000 0.491 32 S N 1.442 117.115 115.700 -0.046 0.000 2.535 32 S HA 0.032 4.504 4.470 0.005 0.000 0.259 32 S C 0.263 174.850 174.600 -0.022 0.000 0.977 32 S CA 1.248 59.440 58.200 -0.013 0.000 0.962 32 S CB -0.444 62.781 63.200 0.041 0.000 0.742 32 S HN 0.428 nan 8.310 nan 0.000 0.530 33 L N -0.850 120.333 121.223 -0.067 0.000 2.947 33 L HA 0.486 4.829 4.340 0.005 0.000 0.272 33 L C -1.368 175.459 176.870 -0.072 0.000 1.071 33 L CA -0.614 54.196 54.840 -0.051 0.000 0.987 33 L CB 0.664 42.709 42.059 -0.023 0.000 1.577 33 L HN -0.119 nan 8.230 nan 0.000 0.373 34 D N 0.921 121.302 120.400 -0.031 0.000 2.515 34 D HA 0.106 4.749 4.640 0.005 0.000 0.232 34 D C -1.831 174.438 176.300 -0.051 0.000 1.157 34 D CA -0.012 53.976 54.000 -0.020 0.000 0.871 34 D CB 0.870 41.685 40.800 0.026 0.000 1.200 34 D HN 0.338 nan 8.370 nan 0.000 0.466 35 P HA 0.030 nan 4.420 nan 0.000 0.214 35 P C 1.013 178.322 177.300 0.014 0.000 1.144 35 P CA 0.582 63.670 63.100 -0.020 0.000 0.884 35 P CB 0.231 31.926 31.700 -0.009 0.000 0.784 36 Q N 0.342 120.152 119.800 0.017 0.000 2.156 36 Q HA -0.238 4.104 4.340 0.005 0.000 0.211 36 Q C 1.890 177.914 176.000 0.040 0.000 0.995 36 Q CA 1.785 57.602 55.803 0.024 0.000 0.877 36 Q CB -0.539 28.212 28.738 0.022 0.000 0.920 36 Q HN 0.455 nan 8.270 nan 0.000 0.416 37 E N -0.866 119.374 120.200 0.067 0.000 2.318 37 E HA -0.111 4.241 4.350 0.005 0.000 0.193 37 E C 1.553 178.282 176.600 0.215 0.000 0.998 37 E CA 0.175 56.656 56.400 0.134 0.000 0.859 37 E CB -0.022 29.779 29.700 0.168 0.000 0.812 37 E HN 0.341 nan 8.360 nan 0.000 0.492 38 Y N 2.481 122.696 120.300 -0.140 0.000 2.207 38 Y HA -0.272 4.281 4.550 0.005 0.000 0.287 38 Y C 2.167 177.989 175.900 -0.130 0.000 1.156 38 Y CA 1.924 59.653 58.100 -0.619 0.000 1.182 38 Y CB 0.019 37.981 38.460 -0.829 0.000 0.979 38 Y HN -0.044 nan 8.280 nan 0.000 0.521 39 E N 0.306 120.445 120.200 -0.101 0.000 2.004 39 E HA -0.158 4.194 4.350 0.005 0.000 0.192 39 E C 1.870 178.386 176.600 -0.140 0.000 0.987 39 E CA 2.009 58.320 56.400 -0.148 0.000 0.822 39 E CB -0.481 29.185 29.700 -0.056 0.000 0.779 39 E HN 0.442 nan 8.360 nan 0.000 0.458 40 D N 0.731 121.101 120.400 -0.049 0.000 2.219 40 D HA -0.085 4.558 4.640 0.005 0.000 0.205 40 D C -0.171 176.121 176.300 -0.013 0.000 0.970 40 D CA 0.705 54.680 54.000 -0.041 0.000 0.851 40 D CB -0.459 40.328 40.800 -0.022 0.000 0.943 40 D HN 0.189 nan 8.370 nan 0.000 0.488 41 D N -0.253 120.188 120.400 0.069 0.000 2.417 41 D HA 0.180 4.823 4.640 0.005 0.000 0.250 41 D C 1.025 177.306 176.300 -0.033 0.000 1.166 41 D CA -0.022 53.994 54.000 0.028 0.000 0.881 41 D CB 1.268 42.094 40.800 0.044 0.000 1.164 41 D HN -0.047 nan 8.370 nan 0.000 0.467 42 A N 2.855 125.635 122.820 -0.066 0.000 2.131 42 A HA -0.152 4.171 4.320 0.005 0.000 0.220 42 A C 2.070 179.602 177.584 -0.087 0.000 1.158 42 A CA 1.419 53.429 52.037 -0.045 0.000 0.665 42 A CB -0.602 18.375 19.000 -0.039 0.000 0.795 42 A HN 0.569 nan 8.150 nan 0.000 0.460 43 V N -4.553 115.215 119.914 -0.243 0.000 3.078 43 V HA -0.049 4.074 4.120 0.005 0.000 0.265 43 V C 1.642 177.422 176.094 -0.524 0.000 1.122 43 V CA 1.489 63.550 62.300 -0.399 0.000 1.141 43 V CB -1.193 30.304 31.823 -0.543 0.000 0.735 43 V HN 0.447 nan 8.190 nan 0.000 0.498 44 F N 0.599 120.532 119.950 -0.027 0.000 2.664 44 F HA 0.436 4.966 4.527 0.005 0.000 0.303 44 F C 1.288 177.034 175.800 -0.091 0.000 1.092 44 F CA -0.620 57.337 58.000 -0.072 0.000 1.305 44 F CB 0.275 39.169 39.000 -0.176 0.000 1.054 44 F HN 0.036 nan 8.300 nan 0.000 0.565 45 R N 0.571 121.119 120.500 0.080 0.000 2.229 45 R HA 0.321 4.664 4.340 0.005 0.000 0.328 45 R C -0.018 176.376 176.300 0.158 0.000 1.009 45 R CA -0.353 55.853 56.100 0.177 0.000 0.864 45 R CB 1.547 32.025 30.300 0.297 0.000 1.085 45 R HN -0.066 nan 8.270 nan 0.000 0.453 46 S N 3.179 118.838 115.700 -0.068 0.000 2.513 46 S HA 0.380 4.853 4.470 0.005 0.000 0.276 46 S C -1.045 173.440 174.600 -0.193 0.000 1.254 46 S CA -0.270 57.867 58.200 -0.106 0.000 1.053 46 S CB 0.313 63.393 63.200 -0.200 0.000 0.958 46 S HN 0.439 nan 8.310 nan 0.000 0.491 47 Y N 2.670 122.956 120.300 -0.024 0.000 2.581 47 Y HA 0.614 5.167 4.550 0.005 0.000 0.345 47 Y C -0.216 175.686 175.900 0.005 0.000 1.036 47 Y CA -1.162 56.899 58.100 -0.066 0.000 1.042 47 Y CB 1.583 39.979 38.460 -0.106 0.000 1.289 47 Y HN 0.436 nan 8.280 nan 0.000 0.471 48 I N 2.864 123.537 120.570 0.171 0.000 2.476 48 I HA 0.208 4.381 4.170 0.005 0.000 0.281 48 I C -0.289 175.953 176.117 0.209 0.000 1.040 48 I CA -0.454 60.970 61.300 0.207 0.000 1.094 48 I CB 0.729 38.905 38.000 0.293 0.000 1.219 48 I HN 0.806 nan 8.210 nan 0.000 0.450 49 D N 3.835 124.349 120.400 0.191 0.000 3.955 49 D HA -0.255 4.388 4.640 0.005 0.000 0.142 49 D C 0.395 176.794 176.300 0.165 0.000 0.877 49 D CA 1.504 55.603 54.000 0.165 0.000 1.100 49 D CB -0.109 40.793 40.800 0.171 0.000 0.533 49 D HN 0.530 nan 8.370 nan 0.000 0.546 50 D N 1.239 121.727 120.400 0.147 0.000 2.363 50 D HA 0.110 4.753 4.640 0.005 0.000 0.214 50 D C 0.067 176.433 176.300 0.108 0.000 1.093 50 D CA 0.176 54.259 54.000 0.138 0.000 0.837 50 D CB 0.316 41.210 40.800 0.156 0.000 0.948 50 D HN 0.146 nan 8.370 nan 0.000 0.507 51 E N 0.644 120.869 120.200 0.042 0.000 2.146 51 E HA 0.077 4.430 4.350 0.005 0.000 0.282 51 E C -1.044 175.406 176.600 -0.249 0.000 0.989 51 E CA -0.680 55.629 56.400 -0.153 0.000 0.799 51 E CB 0.547 29.952 29.700 -0.491 0.000 1.088 51 E HN 0.069 nan 8.360 nan 0.000 0.397 52 Y N 6.075 126.087 120.300 -0.480 0.000 2.569 52 Y HA -0.048 4.505 4.550 0.004 0.000 0.332 52 Y C 0.703 176.250 175.900 -0.587 0.000 1.120 52 Y CA -0.140 57.426 58.100 -0.889 0.000 1.416 52 Y CB 0.530 38.580 38.460 -0.683 0.000 1.210 52 Y HN 0.625 nan 8.280 nan 0.000 0.528 53 M N 4.334 123.259 119.600 -1.125 0.000 2.257 53 M HA 0.275 4.758 4.480 0.005 0.000 0.260 53 M C 0.980 176.680 176.300 -1.001 0.000 1.102 53 M CA 1.381 56.188 55.300 -0.822 0.000 1.169 53 M CB -0.718 31.628 32.600 -0.423 0.000 1.323 53 M HN 0.842 nan 8.290 nan 0.000 0.447 54 G N -1.912 106.145 108.800 -1.239 0.000 2.335 54 G HA2 0.165 4.128 3.960 0.005 0.000 0.291 54 G HA3 0.165 4.128 3.960 0.005 0.000 0.291 54 G C -1.627 173.120 174.900 -0.256 0.000 1.261 54 G CA -0.819 43.838 45.100 -0.739 0.000 0.871 54 G HN 0.409 nan 8.290 nan 0.000 0.491 55 H N 1.086 120.091 119.070 -0.108 0.000 2.562 55 H HA 0.460 5.019 4.556 0.005 0.000 0.314 55 H C 0.136 175.397 175.328 -0.111 0.000 1.079 55 H CA -0.576 55.422 56.048 -0.084 0.000 1.349 55 H CB 0.654 30.381 29.762 -0.058 0.000 1.432 55 H HN 0.237 nan 8.280 nan 0.000 0.479 56 K N 4.820 125.155 120.400 -0.109 0.000 2.322 56 K HA -0.020 4.303 4.320 0.005 0.000 0.283 56 K C -0.970 175.668 176.600 0.063 0.000 1.042 56 K CA 0.146 56.043 56.287 -0.650 0.000 0.958 56 K CB 0.949 32.522 32.500 -1.546 0.000 0.984 56 K HN 0.564 nan 8.250 nan 0.000 0.473 57 W N 3.163 124.746 121.300 0.470 0.000 2.165 57 W HA 0.178 4.840 4.660 0.004 0.000 0.288 57 W C -0.047 176.652 176.519 0.300 0.000 0.900 57 W CA -0.665 56.855 57.345 0.291 0.000 1.914 57 W CB 0.774 30.332 29.460 0.164 0.000 2.091 57 W HN 0.422 nan 8.180 nan 0.000 0.399 58 Q N 0.052 120.107 119.800 0.425 0.000 2.396 58 Q HA 0.082 4.425 4.340 0.005 0.000 0.221 58 Q C 1.657 177.852 176.000 0.325 0.000 1.025 58 Q CA -0.051 55.963 55.803 0.351 0.000 0.946 58 Q CB 1.230 30.129 28.738 0.269 0.000 1.224 58 Q HN 0.586 nan 8.270 nan 0.000 0.539 59 C N -1.571 117.886 119.300 0.260 0.000 2.432 59 C HA -0.080 4.383 4.460 0.005 0.000 0.277 59 C C 2.273 177.387 174.990 0.208 0.000 1.249 59 C CA 0.420 59.552 59.018 0.190 0.000 1.725 59 C CB -1.125 26.652 27.740 0.061 0.000 2.028 59 C HN 0.656 nan 8.230 nan 0.000 0.477 60 V N 1.726 121.758 119.914 0.196 0.000 2.407 60 V HA -0.180 3.943 4.120 0.005 0.000 0.248 60 V C 3.076 179.269 176.094 0.166 0.000 1.055 60 V CA 2.341 64.773 62.300 0.221 0.000 1.049 60 V CB -0.989 30.945 31.823 0.186 0.000 0.662 60 V HN 0.626 nan 8.190 nan 0.000 0.455 61 E N 0.297 120.594 120.200 0.162 0.000 2.072 61 E HA -0.240 4.112 4.350 0.005 0.000 0.191 61 E C 2.105 178.824 176.600 0.197 0.000 0.985 61 E CA 1.528 57.992 56.400 0.107 0.000 0.801 61 E CB -0.265 29.530 29.700 0.159 0.000 0.750 61 E HN 0.565 nan 8.360 nan 0.000 0.452 62 F N 1.165 121.232 119.950 0.195 0.000 2.171 62 F HA -0.095 4.434 4.527 0.005 0.000 0.300 62 F C 2.156 178.085 175.800 0.215 0.000 1.090 62 F CA 1.625 59.751 58.000 0.209 0.000 1.293 62 F CB -0.304 38.801 39.000 0.175 0.000 1.013 62 F HN 0.081 nan 8.300 nan 0.000 0.486 63 A N 0.557 123.530 122.820 0.254 0.000 1.930 63 A HA -0.112 4.211 4.320 0.005 0.000 0.217 63 A C 2.332 180.036 177.584 0.199 0.000 1.175 63 A CA 1.376 53.571 52.037 0.263 0.000 0.627 63 A CB -0.561 18.706 19.000 0.445 0.000 0.815 63 A HN 0.429 nan 8.150 nan 0.000 0.443 64 R N -0.996 119.496 120.500 -0.014 0.000 2.062 64 R HA -0.057 4.286 4.340 0.005 0.000 0.229 64 R C 2.503 178.762 176.300 -0.069 0.000 1.128 64 R CA 1.452 57.411 56.100 -0.236 0.000 0.960 64 R CB -0.285 29.708 30.300 -0.511 0.000 0.855 64 R HN 0.550 nan 8.270 nan 0.000 0.432 65 R N 0.261 120.717 120.500 -0.073 0.000 2.115 65 R HA -0.127 4.216 4.340 0.005 0.000 0.230 65 R C 1.999 178.256 176.300 -0.071 0.000 1.111 65 R CA 1.183 57.271 56.100 -0.021 0.000 0.976 65 R CB -0.254 30.047 30.300 0.001 0.000 0.870 65 R HN 0.164 nan 8.270 nan 0.000 0.445 66 F N 0.888 120.623 119.950 -0.359 0.000 2.113 66 F HA -0.125 4.405 4.527 0.005 0.000 0.297 66 F C 1.682 177.361 175.800 -0.202 0.000 1.103 66 F CA 1.455 59.224 58.000 -0.384 0.000 1.248 66 F CB -0.119 38.562 39.000 -0.530 0.000 0.999 66 F HN -0.030 nan 8.300 nan 0.000 0.475 67 L N -0.945 120.414 121.223 0.226 0.000 2.131 67 L HA -0.213 4.130 4.340 0.005 0.000 0.210 67 L C 2.333 179.262 176.870 0.098 0.000 1.092 67 L CA 1.110 56.115 54.840 0.276 0.000 0.759 67 L CB -0.793 41.532 42.059 0.443 0.000 0.903 67 L HN 0.235 nan 8.230 nan 0.000 0.435 68 F N 0.621 120.526 119.950 -0.075 0.000 2.060 68 F HA -0.173 4.357 4.527 0.004 0.000 0.295 68 F C 2.216 177.931 175.800 -0.142 0.000 1.120 68 F CA 1.465 59.416 58.000 -0.081 0.000 1.205 68 F CB -0.326 38.622 39.000 -0.088 0.000 0.986 68 F HN -0.163 nan 8.300 nan 0.000 0.470 69 L N 0.078 121.114 121.223 -0.311 0.000 2.083 69 L HA -0.249 4.094 4.340 0.005 0.000 0.209 69 L C 2.085 178.660 176.870 -0.492 0.000 1.083 69 L CA 1.369 55.962 54.840 -0.411 0.000 0.752 69 L CB -0.742 41.157 42.059 -0.267 0.000 0.899 69 L HN 0.216 nan 8.230 nan 0.000 0.433 70 N N -1.140 117.156 118.700 -0.673 0.000 2.368 70 N HA -0.072 4.671 4.740 0.005 0.000 0.176 70 N C 1.235 176.311 175.510 -0.723 0.000 1.021 70 N CA 1.157 53.693 53.050 -0.857 0.000 0.888 70 N CB 0.214 37.833 38.487 -1.446 0.000 0.995 70 N HN 0.435 nan 8.380 nan 0.000 0.437 71 Y N -1.835 118.380 120.300 -0.143 0.000 2.448 71 Y HA 0.361 4.914 4.550 0.005 0.000 0.257 71 Y C 1.329 177.192 175.900 -0.061 0.000 1.089 71 Y CA -0.143 57.921 58.100 -0.059 0.000 1.245 71 Y CB 0.686 39.163 38.460 0.028 0.000 1.282 71 Y HN -0.044 nan 8.280 nan 0.000 0.529 72 G N 1.724 110.486 108.800 -0.063 0.000 2.160 72 G HA2 -0.204 3.759 3.960 0.005 0.000 0.244 72 G HA3 -0.204 3.759 3.960 0.005 0.000 0.244 72 G C -0.222 174.816 174.900 0.230 0.000 1.022 72 G CA 0.257 45.307 45.100 -0.083 0.000 0.741 72 G HN 0.545 nan 8.290 nan 0.000 0.508 73 V N -3.019 117.083 119.914 0.313 0.000 3.001 73 V HA 0.975 5.098 4.120 0.005 0.000 0.314 73 V C 0.463 176.740 176.094 0.305 0.000 1.099 73 V CA -0.346 62.147 62.300 0.322 0.000 0.989 73 V CB 2.021 34.016 31.823 0.287 0.000 1.040 73 V HN 1.645 nan 8.190 nan 0.000 0.434 74 V N -0.111 119.931 119.914 0.214 0.000 3.105 74 V HA 0.907 5.029 4.120 0.005 0.000 0.311 74 V C -0.796 175.359 176.094 0.102 0.000 1.287 74 V CA -0.785 61.543 62.300 0.048 0.000 1.066 74 V CB 1.759 33.505 31.823 -0.128 0.000 1.105 74 V HN 1.689 nan 8.190 nan 0.000 0.462 75 F N -2.266 117.686 119.950 0.003 0.000 2.599 75 F HA 0.848 5.378 4.527 0.005 0.000 0.311 75 F C 0.029 175.783 175.800 -0.077 0.000 1.076 75 F CA -0.972 56.965 58.000 -0.104 0.000 0.937 75 F CB 0.749 39.672 39.000 -0.127 0.000 1.282 75 F HN 0.569 nan 8.300 nan 0.000 0.460 76 T N 1.024 115.650 114.554 0.120 0.000 2.891 76 T HA -0.065 4.288 4.350 0.005 0.000 0.296 76 T C -0.029 174.759 174.700 0.146 0.000 1.025 76 T CA 0.598 62.772 62.100 0.124 0.000 1.149 76 T CB -0.194 68.745 68.868 0.118 0.000 1.007 76 T HN 0.711 nan 8.240 nan 0.000 0.528 77 D N 3.726 124.161 120.400 0.057 0.000 2.671 77 D HA 0.156 4.799 4.640 0.005 0.000 0.228 77 D C 0.659 176.996 176.300 0.063 0.000 1.102 77 D CA -0.430 53.595 54.000 0.043 0.000 1.044 77 D CB -0.624 40.201 40.800 0.042 0.000 1.113 77 D HN 0.408 nan 8.370 nan 0.000 0.480 78 V N -0.097 119.859 119.914 0.070 0.000 2.999 78 V HA 0.301 4.424 4.120 0.005 0.000 0.307 78 V C 1.850 177.927 176.094 -0.029 0.000 1.084 78 V CA 0.085 62.372 62.300 -0.021 0.000 1.155 78 V CB 0.793 32.566 31.823 -0.082 0.000 0.975 78 V HN 0.290 nan 8.190 nan 0.000 0.490 79 G N 3.133 111.888 108.800 -0.074 0.000 2.442 79 G HA2 -0.044 3.919 3.960 0.005 0.000 0.219 79 G HA3 -0.044 3.919 3.960 0.005 0.000 0.219 79 G C 0.552 175.426 174.900 -0.043 0.000 1.141 79 G CA 0.757 45.833 45.100 -0.040 0.000 0.763 79 G HN 0.682 nan 8.290 nan 0.000 0.554 80 M N -1.027 118.468 119.600 -0.174 0.000 2.393 80 M HA 0.545 5.028 4.480 0.005 0.000 0.299 80 M C 1.221 177.369 176.300 -0.253 0.000 1.103 80 M CA -0.462 54.735 55.300 -0.172 0.000 0.910 80 M CB 2.597 35.086 32.600 -0.185 0.000 1.659 80 M HN 0.017 nan 8.290 nan 0.000 0.445 81 A N 3.685 126.482 122.820 -0.038 0.000 1.954 81 A HA -0.175 4.148 4.320 0.005 0.000 0.222 81 A C 1.727 179.321 177.584 0.016 0.000 1.199 81 A CA 2.573 54.618 52.037 0.012 0.000 0.657 81 A CB -0.973 18.073 19.000 0.077 0.000 0.823 81 A HN 1.053 nan 8.150 nan 0.000 0.463 82 W N -0.061 121.301 121.300 0.103 0.000 2.465 82 W HA -0.072 4.591 4.660 0.005 0.000 0.268 82 W C 1.111 177.693 176.519 0.105 0.000 1.242 82 W CA 0.983 58.388 57.345 0.100 0.000 1.248 82 W CB -0.848 28.673 29.460 0.102 0.000 1.118 82 W HN 0.518 nan 8.180 nan 0.000 0.587 83 E N 1.172 121.032 120.200 -0.568 0.000 2.347 83 E HA -0.103 4.249 4.350 0.005 0.000 0.196 83 E C 2.138 178.653 176.600 -0.143 0.000 1.008 83 E CA 0.952 57.056 56.400 -0.494 0.000 0.852 83 E CB -0.278 28.981 29.700 -0.735 0.000 0.783 83 E HN 0.329 nan 8.360 nan 0.000 0.505 84 I N 0.628 121.129 120.570 -0.114 0.000 2.335 84 I HA -0.266 3.906 4.170 0.005 0.000 0.251 84 I C 2.119 178.205 176.117 -0.052 0.000 1.129 84 I CA 0.860 62.064 61.300 -0.160 0.000 1.402 84 I CB -0.235 37.584 38.000 -0.300 0.000 1.069 84 I HN 0.077 nan 8.210 nan 0.000 0.424 85 F N 1.923 121.820 119.950 -0.089 0.000 2.250 85 F HA -0.238 4.292 4.527 0.005 0.000 0.301 85 F C 2.720 178.484 175.800 -0.059 0.000 1.077 85 F CA 1.530 59.495 58.000 -0.060 0.000 1.348 85 F CB -0.345 38.662 39.000 0.011 0.000 1.040 85 F HN 0.125 nan 8.300 nan 0.000 0.509 86 S N -0.734 114.975 115.700 0.016 0.000 2.603 86 S HA 0.115 4.588 4.470 0.005 0.000 0.220 86 S C 0.624 175.166 174.600 -0.096 0.000 0.967 86 S CA -0.189 57.980 58.200 -0.051 0.000 0.920 86 S CB -0.807 62.422 63.200 0.049 0.000 0.773 86 S HN 0.166 nan 8.310 nan 0.000 0.529 87 L N 1.790 122.931 121.223 -0.135 0.000 2.371 87 L HA 0.446 4.789 4.340 0.005 0.000 0.272 87 L C 1.296 178.077 176.870 -0.148 0.000 1.124 87 L CA -0.649 54.106 54.840 -0.140 0.000 0.816 87 L CB 0.614 42.533 42.059 -0.233 0.000 1.129 87 L HN 0.074 nan 8.230 nan 0.000 0.448 88 R N 3.304 123.786 120.500 -0.030 0.000 2.577 88 R HA 0.279 4.622 4.340 0.005 0.000 0.344 88 R C -0.961 175.440 176.300 0.169 0.000 1.037 88 R CA -0.055 56.054 56.100 0.017 0.000 1.102 88 R CB 0.182 30.496 30.300 0.023 0.000 1.313 88 R HN 0.575 nan 8.270 nan 0.000 0.561 89 F N -2.221 117.745 119.950 0.027 0.000 2.713 89 F HA 0.596 5.126 4.527 0.005 0.000 0.311 89 F C -1.702 174.162 175.800 0.107 0.000 1.141 89 F CA -1.346 56.692 58.000 0.063 0.000 0.939 89 F CB 1.109 40.155 39.000 0.075 0.000 1.325 89 F HN -0.300 nan 8.300 nan 0.000 0.453 90 L N 2.279 123.616 121.223 0.190 0.000 2.333 90 L HA 0.619 4.962 4.340 0.005 0.000 0.269 90 L C -0.563 176.558 176.870 0.418 0.000 1.010 90 L CA -1.129 53.799 54.840 0.147 0.000 0.818 90 L CB 2.303 44.470 42.059 0.180 0.000 1.306 90 L HN 0.849 nan 8.230 nan 0.000 0.430 91 R N 1.813 122.538 120.500 0.374 0.000 2.229 91 R HA 0.205 4.547 4.340 0.005 0.000 0.328 91 R C -0.360 176.122 176.300 0.303 0.000 1.009 91 R CA -0.427 55.917 56.100 0.407 0.000 0.864 91 R CB 1.006 31.549 30.300 0.406 0.000 1.085 91 R HN 0.575 nan 8.270 nan 0.000 0.453 92 E N 3.942 124.309 120.200 0.278 0.000 2.129 92 E HA 0.029 4.381 4.350 0.005 0.000 0.283 92 E C 0.590 177.343 176.600 0.255 0.000 1.080 92 E CA -0.384 56.160 56.400 0.240 0.000 0.867 92 E CB 1.053 30.873 29.700 0.199 0.000 1.056 92 E HN 0.617 nan 8.360 nan 0.000 0.404 93 V N 4.747 124.832 119.914 0.284 0.000 2.261 93 V HA -0.263 3.860 4.120 0.005 0.000 0.246 93 V C 2.090 178.376 176.094 0.320 0.000 1.047 93 V CA 1.460 63.944 62.300 0.307 0.000 1.015 93 V CB -0.365 31.682 31.823 0.374 0.000 0.642 93 V HN 0.641 nan 8.190 nan 0.000 0.446 94 V N 1.047 121.113 119.914 0.253 0.000 2.282 94 V HA -0.276 3.847 4.120 0.005 0.000 0.249 94 V C 1.818 178.026 176.094 0.191 0.000 1.057 94 V CA 2.457 64.897 62.300 0.232 0.000 1.032 94 V CB -0.672 31.228 31.823 0.129 0.000 0.645 94 V HN 0.672 nan 8.190 nan 0.000 0.447 95 N N -1.352 117.411 118.700 0.104 0.000 2.205 95 N HA 0.039 4.782 4.740 0.005 0.000 0.201 95 N C 0.020 175.523 175.510 -0.012 0.000 1.128 95 N CA 0.313 53.358 53.050 -0.008 0.000 0.867 95 N CB 0.419 38.916 38.487 0.017 0.000 0.996 95 N HN 0.434 nan 8.380 nan 0.000 0.503 96 D N 1.153 121.615 120.400 0.103 0.000 2.837 96 D HA -0.160 4.482 4.640 0.005 0.000 0.230 96 D C -0.502 175.978 176.300 0.301 0.000 1.152 96 D CA 0.776 54.877 54.000 0.169 0.000 0.736 96 D CB -1.786 39.041 40.800 0.045 0.000 1.084 96 D HN 0.483 nan 8.370 nan 0.000 0.429 97 N N -0.042 118.831 118.700 0.289 0.000 2.508 97 N HA 0.251 4.994 4.740 0.005 0.000 0.264 97 N C 0.512 176.174 175.510 0.253 0.000 1.216 97 N CA -0.060 53.197 53.050 0.346 0.000 0.943 97 N CB 0.872 39.494 38.487 0.225 0.000 1.113 97 N HN 0.140 nan 8.380 nan 0.000 0.447 98 I N 3.087 123.723 120.570 0.110 0.000 2.297 98 I HA 0.185 4.358 4.170 0.005 0.000 0.291 98 I C -0.489 175.717 176.117 0.148 0.000 1.033 98 I CA -0.388 60.961 61.300 0.082 0.000 1.253 98 I CB 0.377 38.267 38.000 -0.182 0.000 1.396 98 I HN 0.272 nan 8.210 nan 0.000 0.476 99 L N 8.674 130.048 121.223 0.252 0.000 2.295 99 L HA 0.473 4.816 4.340 0.005 0.000 0.285 99 L C -2.149 174.842 176.870 0.202 0.000 1.035 99 L CA -2.040 52.913 54.840 0.188 0.000 0.806 99 L CB 1.270 43.431 42.059 0.170 0.000 1.214 99 L HN 0.317 nan 8.230 nan 0.000 0.426 100 P HA 0.056 nan 4.420 nan 0.000 0.268 100 P C -1.024 176.337 177.300 0.102 0.000 1.204 100 P CA -0.233 62.941 63.100 0.124 0.000 0.768 100 P CB 1.546 33.292 31.700 0.077 0.000 0.842 101 L N 3.901 125.171 121.223 0.079 0.000 2.356 101 L HA 0.392 4.735 4.340 0.005 0.000 0.277 101 L C -0.519 176.319 176.870 -0.054 0.000 0.996 101 L CA -0.318 54.535 54.840 0.023 0.000 0.822 101 L CB 1.731 43.779 42.059 -0.018 0.000 1.256 101 L HN 0.238 nan 8.230 nan 0.000 0.413 102 Q N 3.505 123.266 119.800 -0.066 0.000 2.301 102 Q HA 0.793 5.136 4.340 0.005 0.000 0.267 102 Q C -0.908 174.804 176.000 -0.480 0.000 1.035 102 Q CA -0.637 55.000 55.803 -0.277 0.000 0.856 102 Q CB 2.092 30.708 28.738 -0.204 0.000 1.337 102 Q HN 0.779 nan 8.270 nan 0.000 0.450 103 A N 1.986 124.309 122.820 -0.829 0.000 2.331 103 A HA 0.818 5.141 4.320 0.005 0.000 0.320 103 A C -1.247 175.672 177.584 -1.108 0.000 1.138 103 A CA -0.481 51.027 52.037 -0.883 0.000 0.790 103 A CB 0.520 18.756 19.000 -1.273 0.000 1.206 103 A HN 0.532 nan 8.150 nan 0.000 0.470 104 F N 3.149 122.957 119.950 -0.238 0.000 2.529 104 F HA 0.527 5.057 4.527 0.005 0.000 0.320 104 F C -2.137 173.388 175.800 -0.457 0.000 1.118 104 F CA -2.195 55.608 58.000 -0.328 0.000 0.915 104 F CB 2.468 41.237 39.000 -0.385 0.000 1.161 104 F HN 0.367 nan 8.300 nan 0.000 0.445 105 P HA 0.020 nan 4.420 nan 0.000 0.274 105 P C -0.554 176.436 177.300 -0.517 0.000 1.246 105 P CA -0.368 62.610 63.100 -0.203 0.000 0.795 105 P CB 0.816 32.484 31.700 -0.053 0.000 1.006 106 N N 0.217 118.655 118.700 -0.436 0.000 2.454 106 N HA 0.165 4.908 4.740 0.005 0.000 0.254 106 N C 1.360 176.831 175.510 -0.064 0.000 1.228 106 N CA 1.805 54.690 53.050 -0.276 0.000 0.900 106 N CB -0.586 37.850 38.487 -0.084 0.000 1.089 106 N HN 0.759 nan 8.380 nan 0.000 0.449 107 G N 0.791 109.677 108.800 0.144 0.000 2.157 107 G HA2 -0.231 3.732 3.960 0.005 0.000 0.239 107 G HA3 -0.231 3.732 3.960 0.005 0.000 0.239 107 G C 0.167 175.143 174.900 0.127 0.000 0.982 107 G CA 0.388 45.564 45.100 0.127 0.000 0.650 107 G HN 0.805 nan 8.290 nan 0.000 0.527 108 S N 0.190 115.995 115.700 0.175 0.000 2.592 108 S HA 0.572 5.045 4.470 0.005 0.000 0.271 108 S C -0.545 174.155 174.600 0.166 0.000 1.326 108 S CA -0.569 57.719 58.200 0.147 0.000 1.024 108 S CB 1.338 64.616 63.200 0.130 0.000 0.921 108 S HN 0.000 nan 8.310 nan 0.000 0.527 109 P HA 0.076 nan 4.420 nan 0.000 0.229 109 P C -0.194 176.956 177.300 -0.251 0.000 1.160 109 P CA 0.410 63.358 63.100 -0.253 0.000 0.777 109 P CB 0.131 31.356 31.700 -0.791 0.000 0.814 110 R N 1.193 121.551 120.500 -0.236 0.000 2.210 110 R HA 0.499 4.842 4.340 0.005 0.000 0.338 110 R C -0.427 175.787 176.300 -0.143 0.000 1.062 110 R CA -0.584 55.361 56.100 -0.259 0.000 0.902 110 R CB -0.709 29.211 30.300 -0.634 0.000 1.050 110 R HN -0.101 nan 8.270 nan 0.000 0.461 111 A N 6.748 129.273 122.820 -0.493 0.000 2.351 111 A HA 0.472 4.795 4.320 0.005 0.000 0.257 111 A C -2.066 175.043 177.584 -0.793 0.000 1.087 111 A CA -1.410 50.031 52.037 -0.994 0.000 0.798 111 A CB -0.187 17.882 19.000 -1.553 0.000 1.033 111 A HN 0.775 nan 8.150 nan 0.000 0.488 112 P HA 0.290 nan 4.420 nan 0.000 0.271 112 P C -0.261 176.703 177.300 -0.560 0.000 1.218 112 P CA 0.111 62.519 63.100 -1.153 0.000 0.780 112 P CB 0.819 31.715 31.700 -1.339 0.000 0.901 113 V N -0.845 118.870 119.914 -0.333 0.000 3.103 113 V HA 0.848 4.971 4.120 0.005 0.000 0.318 113 V C -0.013 176.013 176.094 -0.114 0.000 1.114 113 V CA -1.549 60.638 62.300 -0.190 0.000 1.020 113 V CB 1.137 32.892 31.823 -0.113 0.000 1.085 113 V HN 0.652 nan 8.190 nan 0.000 0.446 114 A N 1.007 123.793 122.820 -0.056 0.000 2.450 114 A HA 0.606 4.929 4.320 0.005 0.000 0.255 114 A C 1.424 179.051 177.584 0.072 0.000 1.096 114 A CA 0.565 52.610 52.037 0.014 0.000 0.778 114 A CB -0.426 18.601 19.000 0.046 0.000 1.031 114 A HN 2.798 nan 8.150 nan 0.000 0.494 115 G N 0.679 109.557 108.800 0.131 0.000 2.213 115 G HA2 0.154 4.117 3.960 0.005 0.000 0.236 115 G HA3 0.154 4.117 3.960 0.005 0.000 0.236 115 G C 0.644 175.637 174.900 0.155 0.000 0.991 115 G CA 0.320 45.562 45.100 0.236 0.000 0.629 115 G HN 2.153 nan 8.290 nan 0.000 0.517 116 A N 0.356 123.227 122.820 0.084 0.000 2.445 116 A HA 0.655 4.978 4.320 0.005 0.000 0.242 116 A C 0.623 178.285 177.584 0.130 0.000 1.075 116 A CA 0.167 52.270 52.037 0.110 0.000 0.777 116 A CB 0.279 19.335 19.000 0.094 0.000 1.013 116 A HN 0.904 nan 8.150 nan 0.000 0.493 117 L N 1.551 122.867 121.223 0.155 0.000 2.305 117 L HA 0.339 4.682 4.340 0.005 0.000 0.281 117 L C -0.367 176.609 176.870 0.177 0.000 1.085 117 L CA -0.448 54.469 54.840 0.130 0.000 0.813 117 L CB 1.027 43.114 42.059 0.047 0.000 1.157 117 L HN 0.631 nan 8.230 nan 0.000 0.436 118 L N 5.710 127.028 121.223 0.159 0.000 2.298 118 L HA 0.541 4.884 4.340 0.005 0.000 0.284 118 L C -0.604 176.335 176.870 0.116 0.000 1.013 118 L CA -0.155 54.764 54.840 0.132 0.000 0.824 118 L CB 0.996 43.114 42.059 0.098 0.000 1.221 118 L HN 0.277 nan 8.230 nan 0.000 0.418 119 I N 4.256 124.832 120.570 0.010 0.000 2.441 119 I HA 0.317 4.490 4.170 0.005 0.000 0.295 119 I C -0.501 175.579 176.117 -0.062 0.000 0.994 119 I CA -0.726 60.610 61.300 0.060 0.000 1.144 119 I CB 1.397 39.422 38.000 0.041 0.000 1.314 119 I HN 0.572 nan 8.210 nan 0.000 0.445 120 W N 3.732 125.038 121.300 0.009 0.000 2.520 120 W HA 0.223 4.886 4.660 0.005 0.000 0.323 120 W C 0.340 176.923 176.519 0.107 0.000 1.062 120 W CA -0.176 57.218 57.345 0.082 0.000 1.215 120 W CB 2.081 31.654 29.460 0.188 0.000 1.340 120 W HN 0.497 nan 8.180 nan 0.000 0.516 121 D N 2.245 122.795 120.400 0.250 0.000 2.398 121 D HA 0.088 4.731 4.640 0.005 0.000 0.247 121 D C 0.063 176.508 176.300 0.243 0.000 1.227 121 D CA 0.084 54.194 54.000 0.185 0.000 0.980 121 D CB 1.063 41.873 40.800 0.016 0.000 1.106 121 D HN 0.243 nan 8.370 nan 0.000 0.493 122 K N -0.259 120.186 120.400 0.074 0.000 2.219 122 K HA 0.532 4.855 4.320 0.005 0.000 0.258 122 K C 0.329 176.984 176.600 0.092 0.000 1.008 122 K CA -0.701 55.652 56.287 0.110 0.000 0.928 122 K CB 0.399 32.879 32.500 -0.034 0.000 0.983 122 K HN 0.551 nan 8.250 nan 0.000 0.484 123 G N -0.334 108.531 108.800 0.108 0.000 2.653 123 G HA2 0.366 4.329 3.960 0.005 0.000 0.656 123 G HA3 0.366 4.329 3.960 0.005 0.000 0.656 123 G C 0.145 175.057 174.900 0.019 0.000 1.419 123 G CA -0.144 44.988 45.100 0.053 0.000 0.862 123 G HN 1.129 nan 8.290 nan 0.000 0.639 124 G N 1.325 110.098 108.800 -0.044 0.000 2.527 124 G HA2 -0.013 3.950 3.960 0.005 0.000 0.268 124 G HA3 -0.013 3.950 3.960 0.005 0.000 0.268 124 G C 1.120 175.858 174.900 -0.268 0.000 1.175 124 G CA 1.184 46.207 45.100 -0.128 0.000 0.962 124 G HN 2.144 nan 8.290 nan 0.000 0.560 125 E N 0.219 120.099 120.200 -0.533 0.000 2.219 125 E HA -0.027 4.326 4.350 0.005 0.000 0.198 125 E C 1.620 177.723 176.600 -0.829 0.000 0.998 125 E CA 2.019 57.881 56.400 -0.897 0.000 0.818 125 E CB -0.289 28.383 29.700 -1.713 0.000 0.741 125 E HN 0.486 nan 8.360 nan 0.000 0.477 126 F N -0.010 119.817 119.950 -0.204 0.000 2.925 126 F HA 0.313 4.843 4.527 0.005 0.000 0.302 126 F C 1.277 177.074 175.800 -0.005 0.000 1.189 126 F CA -0.871 57.061 58.000 -0.113 0.000 1.346 126 F CB 0.294 39.248 39.000 -0.077 0.000 0.954 126 F HN -0.167 nan 8.300 nan 0.000 0.506 127 K N 0.648 121.084 120.400 0.059 0.000 2.203 127 K HA -0.329 3.994 4.320 0.005 0.000 0.206 127 K C 0.978 177.642 176.600 0.107 0.000 0.722 127 K CA 2.463 58.784 56.287 0.058 0.000 1.026 127 K CB -0.275 32.244 32.500 0.032 0.000 0.713 127 K HN 0.307 nan 8.250 nan 0.000 0.773 128 D N -1.901 118.584 120.400 0.142 0.000 2.380 128 D HA -0.005 4.638 4.640 0.005 0.000 0.212 128 D C 1.950 178.430 176.300 0.300 0.000 1.021 128 D CA 1.475 55.581 54.000 0.177 0.000 0.884 128 D CB 0.093 40.986 40.800 0.155 0.000 1.001 128 D HN 0.521 nan 8.370 nan 0.000 0.506 129 T N -1.576 113.161 114.554 0.305 0.000 2.896 129 T HA 0.286 4.639 4.350 0.005 0.000 0.263 129 T C 1.379 176.358 174.700 0.466 0.000 1.050 129 T CA 1.008 63.320 62.100 0.353 0.000 1.140 129 T CB 0.196 69.216 68.868 0.254 0.000 0.877 129 T HN 0.283 nan 8.240 nan 0.000 0.457 130 G N 0.910 109.960 108.800 0.418 0.000 2.545 130 G HA2 0.103 4.066 3.960 0.005 0.000 0.216 130 G HA3 0.103 4.066 3.960 0.005 0.000 0.216 130 G C -0.587 174.463 174.900 0.250 0.000 1.314 130 G CA 0.003 45.362 45.100 0.432 0.000 0.906 130 G HN 1.139 nan 8.290 nan 0.000 0.563 131 H N -2.195 116.891 119.070 0.026 0.000 3.037 131 H HA 0.700 5.259 4.556 0.005 0.000 0.336 131 H C -1.366 173.985 175.328 0.039 0.000 1.323 131 H CA 0.250 56.119 56.048 -0.298 0.000 1.159 131 H CB 1.942 30.824 29.762 -1.467 0.000 1.882 131 H HN 1.512 nan 8.280 nan 0.000 0.535 132 V N 2.359 121.808 119.914 -0.774 0.000 2.841 132 V HA 0.946 5.068 4.120 0.005 0.000 0.310 132 V C -1.373 174.462 176.094 -0.432 0.000 1.090 132 V CA 0.349 62.463 62.300 -0.310 0.000 0.930 132 V CB 1.289 33.076 31.823 -0.060 0.000 1.014 132 V HN 1.157 nan 8.190 nan 0.000 0.425 133 A N 6.373 129.210 122.820 0.028 0.000 2.566 133 A HA 0.919 5.242 4.320 0.005 0.000 0.292 133 A C -1.556 176.120 177.584 0.155 0.000 1.112 133 A CA -0.709 51.402 52.037 0.124 0.000 0.707 133 A CB 1.787 20.962 19.000 0.292 0.000 1.302 133 A HN 0.696 nan 8.150 nan 0.000 0.409 134 I N 1.126 121.760 120.570 0.107 0.000 2.460 134 I HA 0.349 4.522 4.170 0.005 0.000 0.298 134 I C -0.220 175.875 176.117 -0.037 0.000 0.989 134 I CA -0.493 60.792 61.300 -0.026 0.000 1.173 134 I CB 1.457 39.234 38.000 -0.372 0.000 1.338 134 I HN 0.517 nan 8.210 nan 0.000 0.456 135 I N 5.340 125.900 120.570 -0.016 0.000 2.363 135 I HA 0.023 4.196 4.170 0.005 0.000 0.292 135 I C 1.517 177.620 176.117 -0.024 0.000 1.075 135 I CA 0.064 61.354 61.300 -0.016 0.000 1.333 135 I CB 0.937 38.913 38.000 -0.041 0.000 1.415 135 I HN 0.720 nan 8.210 nan 0.000 0.502 136 T N 1.976 116.525 114.554 -0.007 0.000 3.031 136 T HA 0.021 4.374 4.350 0.005 0.000 0.254 136 T C 0.642 175.394 174.700 0.086 0.000 1.060 136 T CA 0.313 62.449 62.100 0.060 0.000 1.135 136 T CB 0.370 69.305 68.868 0.111 0.000 0.896 136 T HN 0.587 nan 8.240 nan 0.000 0.472 137 Q N 0.085 119.896 119.800 0.019 0.000 2.284 137 Q HA 0.480 4.822 4.340 0.005 0.000 0.269 137 Q C -1.939 174.030 176.000 -0.052 0.000 1.026 137 Q CA -0.671 55.127 55.803 -0.008 0.000 0.831 137 Q CB 2.029 30.752 28.738 -0.025 0.000 1.322 137 Q HN 0.374 nan 8.270 nan 0.000 0.419 138 L N 4.288 125.492 121.223 -0.031 0.000 2.315 138 L HA 0.332 4.675 4.340 0.005 0.000 0.278 138 L C -0.112 176.774 176.870 0.026 0.000 1.088 138 L CA -0.260 54.555 54.840 -0.041 0.000 0.899 138 L CB 0.383 42.406 42.059 -0.060 0.000 1.277 138 L HN 0.575 nan 8.230 nan 0.000 0.431 139 H N 3.763 122.762 119.070 -0.117 0.000 2.821 139 H HA 0.245 4.804 4.556 0.005 0.000 0.262 139 H C 1.044 176.319 175.328 -0.089 0.000 1.402 139 H CA 0.385 56.373 56.048 -0.100 0.000 1.293 139 H CB 0.542 30.223 29.762 -0.135 0.000 1.533 139 H HN 0.869 nan 8.280 nan 0.000 0.528 140 G N 4.834 113.601 108.800 -0.056 0.000 2.620 140 G HA2 -0.500 3.463 3.960 0.005 0.000 0.315 140 G HA3 -0.500 3.463 3.960 0.005 0.000 0.315 140 G C 0.937 175.786 174.900 -0.086 0.000 1.179 140 G CA 0.926 45.958 45.100 -0.112 0.000 0.971 140 G HN 0.720 nan 8.290 nan 0.000 0.544 141 N N 1.060 119.695 118.700 -0.108 0.000 2.353 141 N HA 0.236 4.979 4.740 0.005 0.000 0.185 141 N C 0.689 176.148 175.510 -0.085 0.000 1.098 141 N CA 0.796 53.798 53.050 -0.080 0.000 0.872 141 N CB 0.337 38.775 38.487 -0.081 0.000 0.970 141 N HN 0.505 nan 8.380 nan 0.000 0.467 142 K N 0.356 120.692 120.400 -0.106 0.000 2.132 142 K HA 0.525 4.848 4.320 0.005 0.000 0.241 142 K C -0.651 175.878 176.600 -0.118 0.000 1.000 142 K CA -0.859 55.358 56.287 -0.117 0.000 0.911 142 K CB 1.987 34.399 32.500 -0.147 0.000 1.093 142 K HN -0.171 nan 8.250 nan 0.000 0.460 143 V N 1.946 121.774 119.914 -0.143 0.000 2.567 143 V HA 0.343 4.466 4.120 0.005 0.000 0.298 143 V C -0.328 175.661 176.094 -0.176 0.000 1.047 143 V CA -0.883 61.332 62.300 -0.142 0.000 0.880 143 V CB 1.769 33.513 31.823 -0.133 0.000 1.009 143 V HN 0.559 nan 8.190 nan 0.000 0.429 144 R N 4.895 125.265 120.500 -0.215 0.000 2.368 144 R HA 0.752 5.095 4.340 0.005 0.000 0.302 144 R C -0.477 175.792 176.300 -0.053 0.000 1.002 144 R CA -0.443 55.491 56.100 -0.277 0.000 0.929 144 R CB 1.926 31.901 30.300 -0.541 0.000 1.073 144 R HN 0.836 nan 8.270 nan 0.000 0.464 145 I N -1.796 118.808 120.570 0.056 0.000 3.108 145 I HA 0.884 5.057 4.170 0.005 0.000 0.312 145 I C -1.043 175.162 176.117 0.147 0.000 1.095 145 I CA -1.230 60.133 61.300 0.105 0.000 1.000 145 I CB 2.509 40.607 38.000 0.164 0.000 1.229 145 I HN 0.572 nan 8.210 nan 0.000 0.454 146 A N 2.563 125.427 122.820 0.073 0.000 2.422 146 A HA 0.810 5.133 4.320 0.005 0.000 0.302 146 A C -0.936 176.517 177.584 -0.218 0.000 1.041 146 A CA -0.374 51.636 52.037 -0.045 0.000 0.708 146 A CB 1.448 20.487 19.000 0.065 0.000 1.257 146 A HN 0.951 nan 8.150 nan 0.000 0.414 147 E N 1.549 121.453 120.200 -0.493 0.000 2.416 147 E HA 0.475 4.828 4.350 0.005 0.000 0.280 147 E C -1.491 174.806 176.600 -0.505 0.000 1.055 147 E CA -0.809 55.323 56.400 -0.446 0.000 0.825 147 E CB 0.963 30.649 29.700 -0.023 0.000 1.312 147 E HN 0.604 nan 8.360 nan 0.000 0.452 148 Q N 0.266 119.928 119.800 -0.229 0.000 2.306 148 Q HA 0.349 4.692 4.340 0.005 0.000 0.269 148 Q C -0.355 175.686 176.000 0.067 0.000 1.053 148 Q CA -0.875 54.876 55.803 -0.086 0.000 0.879 148 Q CB 1.056 29.868 28.738 0.122 0.000 1.344 148 Q HN 0.696 nan 8.270 nan 0.000 0.464 149 N N -0.075 118.652 118.700 0.044 0.000 2.783 149 N HA -0.162 4.580 4.740 0.005 0.000 0.247 149 N C -0.938 174.559 175.510 -0.022 0.000 1.089 149 N CA 0.691 53.798 53.050 0.094 0.000 0.690 149 N CB -0.791 37.833 38.487 0.228 0.000 0.991 149 N HN 0.396 nan 8.380 nan 0.000 0.552 150 V N -0.873 118.902 119.914 -0.230 0.000 3.570 150 V HA 0.293 4.416 4.120 0.005 0.000 0.193 150 V C 0.851 176.744 176.094 -0.334 0.000 1.386 150 V CA 0.153 62.356 62.300 -0.162 0.000 1.285 150 V CB 0.189 31.977 31.823 -0.059 0.000 1.237 150 V HN 0.117 nan 8.190 nan 0.000 0.553 151 I N 1.428 121.775 120.570 -0.370 0.000 2.532 151 I HA 0.360 4.533 4.170 0.005 0.000 0.292 151 I C 0.681 176.449 176.117 -0.580 0.000 1.014 151 I CA 0.499 61.606 61.300 -0.321 0.000 1.340 151 I CB 0.432 38.316 38.000 -0.194 0.000 1.422 151 I HN 0.408 nan 8.210 nan 0.000 0.528 152 H N 2.128 121.180 119.070 -0.030 0.000 3.367 152 H HA 0.297 4.856 4.556 0.005 0.000 0.257 152 H C -0.389 174.919 175.328 -0.034 0.000 1.201 152 H CA 0.007 56.038 56.048 -0.029 0.000 1.102 152 H CB 1.034 30.784 29.762 -0.020 0.000 1.656 152 H HN 0.393 nan 8.280 nan 0.000 0.662 153 S N 1.808 117.521 115.700 0.021 0.000 2.513 153 S HA 0.413 4.886 4.470 0.005 0.000 0.299 153 S C -2.477 172.090 174.600 -0.055 0.000 1.087 153 S CA -1.129 57.068 58.200 -0.005 0.000 1.012 153 S CB 2.723 65.920 63.200 -0.006 0.000 1.044 153 S HN -0.034 nan 8.310 nan 0.000 0.485 154 P HA 0.054 nan 4.420 nan 0.000 0.266 154 P C -0.630 176.606 177.300 -0.106 0.000 1.186 154 P CA 0.165 63.214 63.100 -0.086 0.000 0.767 154 P CB 0.339 32.002 31.700 -0.062 0.000 0.820 155 L N 4.217 125.356 121.223 -0.141 0.000 2.468 155 L HA 0.347 4.690 4.340 0.005 0.000 0.254 155 L C -1.585 175.190 176.870 -0.158 0.000 1.171 155 L CA -1.975 52.758 54.840 -0.179 0.000 0.809 155 L CB -0.232 41.683 42.059 -0.240 0.000 1.155 155 L HN 0.302 nan 8.230 nan 0.000 0.473 156 P HA 0.007 nan 4.420 nan 0.000 0.271 156 P C -0.954 176.266 177.300 -0.133 0.000 1.218 156 P CA -0.481 62.534 63.100 -0.143 0.000 0.780 156 P CB 0.432 32.039 31.700 -0.156 0.000 0.901 157 Q N 1.017 120.765 119.800 -0.087 0.000 2.320 157 Q HA 0.072 4.414 4.340 0.005 0.000 0.311 157 Q C 1.536 177.493 176.000 -0.071 0.000 1.083 157 Q CA 1.874 57.638 55.803 -0.065 0.000 1.001 157 Q CB -0.493 28.219 28.738 -0.043 0.000 1.074 157 Q HN 0.919 nan 8.270 nan 0.000 0.379 158 G N 3.038 111.800 108.800 -0.062 0.000 2.162 158 G HA2 -0.328 3.635 3.960 0.005 0.000 0.260 158 G HA3 -0.328 3.635 3.960 0.005 0.000 0.260 158 G C 0.174 175.022 174.900 -0.088 0.000 0.976 158 G CA 0.583 45.650 45.100 -0.056 0.000 0.655 158 G HN 0.571 nan 8.290 nan 0.000 0.533 159 Q N 0.114 119.810 119.800 -0.174 0.000 2.296 159 Q HA 0.557 4.900 4.340 0.005 0.000 0.257 159 Q C 0.635 176.458 176.000 -0.295 0.000 0.942 159 Q CA -0.369 55.228 55.803 -0.342 0.000 0.939 159 Q CB 0.434 28.807 28.738 -0.608 0.000 1.198 159 Q HN 0.506 nan 8.270 nan 0.000 0.429 160 Q N 5.121 124.817 119.800 -0.173 0.000 2.225 160 Q HA 0.203 4.546 4.340 0.005 0.000 0.259 160 Q C -1.262 174.823 176.000 0.141 0.000 0.872 160 Q CA -0.237 55.574 55.803 0.013 0.000 1.042 160 Q CB 0.542 29.356 28.738 0.126 0.000 1.142 160 Q HN 0.540 nan 8.270 nan 0.000 0.463 161 W N -1.201 120.100 121.300 0.003 0.000 3.107 161 W HA 0.334 4.997 4.660 0.005 0.000 0.331 161 W C 0.247 176.739 176.519 -0.045 0.000 1.204 161 W CA -0.866 56.471 57.345 -0.013 0.000 1.184 161 W CB 0.492 29.952 29.460 -0.001 0.000 1.421 161 W HN -0.057 nan 8.180 nan 0.000 0.544 162 T N -1.187 113.501 114.554 0.224 0.000 3.044 162 T HA 0.284 4.637 4.350 0.005 0.000 0.255 162 T C 0.516 175.379 174.700 0.272 0.000 1.073 162 T CA 0.377 62.527 62.100 0.083 0.000 1.125 162 T CB 0.508 69.356 68.868 -0.034 0.000 0.908 162 T HN 0.440 nan 8.240 nan 0.000 0.480 163 R N 0.085 120.860 120.500 0.458 0.000 2.680 163 R HA 0.598 4.941 4.340 0.005 0.000 0.269 163 R C -1.646 174.751 176.300 0.161 0.000 1.026 163 R CA -0.693 55.626 56.100 0.365 0.000 0.889 163 R CB 2.251 32.648 30.300 0.162 0.000 1.241 163 R HN 0.250 nan 8.270 nan 0.000 0.463 164 E N 2.173 122.343 120.200 -0.052 0.000 2.195 164 E HA 0.554 4.907 4.350 0.005 0.000 0.271 164 E C -1.239 175.297 176.600 -0.108 0.000 0.923 164 E CA -0.596 55.614 56.400 -0.317 0.000 0.790 164 E CB 1.378 30.759 29.700 -0.531 0.000 1.155 164 E HN 0.322 nan 8.360 nan 0.000 0.402 165 L N 2.570 123.739 121.223 -0.091 0.000 2.401 165 L HA 0.423 4.765 4.340 0.005 0.000 0.266 165 L C -0.274 176.567 176.870 -0.048 0.000 0.991 165 L CA -0.905 53.920 54.840 -0.024 0.000 0.818 165 L CB 2.043 44.126 42.059 0.040 0.000 1.321 165 L HN 0.606 nan 8.230 nan 0.000 0.413 166 E N 2.988 123.170 120.200 -0.030 0.000 2.331 166 E HA 0.347 4.700 4.350 0.005 0.000 0.272 166 E C -1.231 175.355 176.600 -0.025 0.000 1.036 166 E CA -0.457 55.921 56.400 -0.036 0.000 0.864 166 E CB 1.574 31.258 29.700 -0.027 0.000 1.035 166 E HN 0.496 nan 8.360 nan 0.000 0.408 167 M N 4.724 124.304 119.600 -0.033 0.000 2.321 167 M HA 0.313 4.796 4.480 0.005 0.000 0.315 167 M C -1.785 174.505 176.300 -0.016 0.000 1.052 167 M CA -0.823 54.468 55.300 -0.015 0.000 0.936 167 M CB 1.607 34.195 32.600 -0.020 0.000 1.639 167 M HN 0.243 nan 8.290 nan 0.000 0.433 168 V N 5.595 125.502 119.914 -0.011 0.000 2.398 168 V HA 0.392 4.515 4.120 0.005 0.000 0.286 168 V C -0.502 175.526 176.094 -0.110 0.000 1.026 168 V CA -0.686 61.586 62.300 -0.047 0.000 0.868 168 V CB 1.504 33.308 31.823 -0.031 0.000 0.982 168 V HN 0.670 nan 8.190 nan 0.000 0.443 169 V N 4.825 124.630 119.914 -0.182 0.000 2.257 169 V HA 0.383 4.506 4.120 0.005 0.000 0.269 169 V C 0.094 176.033 176.094 -0.257 0.000 1.040 169 V CA -0.368 61.711 62.300 -0.369 0.000 0.813 169 V CB 0.913 32.463 31.823 -0.455 0.000 1.065 169 V HN 0.956 nan 8.190 nan 0.000 0.457 170 E N 5.119 125.190 120.200 -0.215 0.000 2.145 170 E HA 0.347 4.700 4.350 0.005 0.000 0.262 170 E C -0.258 176.261 176.600 -0.134 0.000 0.883 170 E CA -0.444 55.871 56.400 -0.140 0.000 0.748 170 E CB 0.451 30.099 29.700 -0.088 0.000 1.140 170 E HN 0.683 nan 8.360 nan 0.000 0.417 171 N N 3.551 122.178 118.700 -0.122 0.000 2.816 171 N HA -0.191 4.552 4.740 0.005 0.000 0.247 171 N C 0.609 176.053 175.510 -0.110 0.000 1.100 171 N CA 1.019 54.014 53.050 -0.092 0.000 0.687 171 N CB -1.627 36.824 38.487 -0.061 0.000 1.003 171 N HN 0.942 nan 8.380 nan 0.000 0.554 172 G N -1.802 106.896 108.800 -0.171 0.000 2.184 172 G HA2 -0.377 3.586 3.960 0.005 0.000 0.264 172 G HA3 -0.377 3.586 3.960 0.005 0.000 0.264 172 G C 0.305 175.092 174.900 -0.188 0.000 0.975 172 G CA 0.660 45.659 45.100 -0.168 0.000 0.642 172 G HN 0.638 nan 8.290 nan 0.000 0.536 173 C N 0.610 119.781 119.300 -0.214 0.000 2.329 173 C HA 0.734 5.197 4.460 0.005 0.000 0.329 173 C C -0.105 174.785 174.990 -0.166 0.000 1.275 173 C CA -1.265 57.705 59.018 -0.079 0.000 1.726 173 C CB 0.030 27.752 27.740 -0.030 0.000 2.291 173 C HN 0.296 nan 8.230 nan 0.000 0.514 174 Y N 1.031 121.370 120.300 0.066 0.000 2.341 174 Y HA 0.559 5.112 4.550 0.005 0.000 0.337 174 Y C 0.771 176.794 175.900 0.205 0.000 1.014 174 Y CA -0.308 57.841 58.100 0.082 0.000 1.111 174 Y CB 1.345 39.810 38.460 0.008 0.000 1.194 174 Y HN 0.570 nan 8.280 nan 0.000 0.462 175 T N 4.736 119.435 114.554 0.241 0.000 2.886 175 T HA 0.625 4.978 4.350 0.005 0.000 0.292 175 T C -0.672 174.122 174.700 0.158 0.000 1.012 175 T CA -0.743 61.488 62.100 0.218 0.000 0.982 175 T CB 0.929 69.859 68.868 0.102 0.000 1.018 175 T HN 0.371 nan 8.240 nan 0.000 0.451 176 L N 2.709 124.037 121.223 0.173 0.000 2.330 176 L HA 0.652 4.995 4.340 0.005 0.000 0.271 176 L C -0.028 176.884 176.870 0.070 0.000 1.013 176 L CA -1.211 53.681 54.840 0.087 0.000 0.816 176 L CB 1.316 43.418 42.059 0.072 0.000 1.287 176 L HN 0.298 nan 8.230 nan 0.000 0.435 177 K N 1.245 121.677 120.400 0.055 0.000 2.292 177 K HA 0.369 4.691 4.320 0.005 0.000 0.257 177 K C -0.964 175.695 176.600 0.098 0.000 0.940 177 K CA -0.848 55.478 56.287 0.065 0.000 0.811 177 K CB 2.506 35.031 32.500 0.041 0.000 1.120 177 K HN 0.445 nan 8.250 nan 0.000 0.428 178 D N 0.598 121.093 120.400 0.158 0.000 2.433 178 D HA 0.070 4.713 4.640 0.005 0.000 0.255 178 D C 0.867 177.240 176.300 0.123 0.000 1.226 178 D CA 0.023 54.182 54.000 0.265 0.000 1.015 178 D CB 1.019 42.113 40.800 0.490 0.000 1.091 178 D HN 0.579 nan 8.370 nan 0.000 0.527 179 T N -2.217 112.344 114.554 0.011 0.000 3.040 179 T HA 0.242 4.595 4.350 0.005 0.000 0.250 179 T C 0.666 175.152 174.700 -0.357 0.000 1.058 179 T CA -0.103 61.862 62.100 -0.224 0.000 0.988 179 T CB -0.325 68.312 68.868 -0.384 0.000 0.993 179 T HN 0.200 nan 8.240 nan 0.000 0.519 180 F N 1.322 121.311 119.950 0.065 0.000 2.483 180 F HA 0.506 5.036 4.527 0.005 0.000 0.329 180 F C 0.881 176.693 175.800 0.020 0.000 1.064 180 F CA -1.239 56.753 58.000 -0.014 0.000 0.986 180 F CB 1.559 40.482 39.000 -0.128 0.000 1.218 180 F HN -0.063 nan 8.300 nan 0.000 0.484 181 D N 0.059 120.573 120.400 0.190 0.000 2.469 181 D HA 0.016 4.659 4.640 0.005 0.000 0.215 181 D C 0.134 176.485 176.300 0.084 0.000 1.154 181 D CA 0.411 54.480 54.000 0.115 0.000 0.832 181 D CB 0.354 41.198 40.800 0.072 0.000 1.008 181 D HN 0.557 nan 8.370 nan 0.000 0.506 182 D N 0.536 120.978 120.400 0.070 0.000 2.501 182 D HA -0.015 4.628 4.640 0.005 0.000 0.224 182 D C 0.648 176.972 176.300 0.039 0.000 1.202 182 D CA -0.127 53.890 54.000 0.028 0.000 0.829 182 D CB -0.133 40.655 40.800 -0.020 0.000 1.023 182 D HN -0.080 nan 8.370 nan 0.000 0.499 183 T N -2.823 111.800 114.554 0.114 0.000 2.952 183 T HA 0.648 5.001 4.350 0.005 0.000 0.286 183 T C -0.009 174.830 174.700 0.232 0.000 1.024 183 T CA -0.594 61.628 62.100 0.204 0.000 1.029 183 T CB 1.821 70.914 68.868 0.376 0.000 1.094 183 T HN -0.118 nan 8.240 nan 0.000 0.515 184 T N 1.795 116.511 114.554 0.270 0.000 2.815 184 T HA 0.478 4.831 4.350 0.005 0.000 0.289 184 T C -0.148 174.601 174.700 0.081 0.000 1.000 184 T CA -0.515 61.666 62.100 0.136 0.000 0.958 184 T CB 0.311 69.218 68.868 0.065 0.000 0.944 184 T HN 0.549 nan 8.240 nan 0.000 0.442 185 I N 4.479 124.979 120.570 -0.116 0.000 2.312 185 I HA 0.191 4.364 4.170 0.005 0.000 0.291 185 I C 1.217 177.109 176.117 -0.374 0.000 1.031 185 I CA -0.374 60.657 61.300 -0.448 0.000 1.293 185 I CB 1.252 38.958 38.000 -0.489 0.000 1.403 185 I HN 0.619 nan 8.210 nan 0.000 0.484 186 L N 6.241 127.174 121.223 -0.484 0.000 2.027 186 L HA 0.083 4.425 4.340 0.005 0.000 0.206 186 L C 1.208 177.570 176.870 -0.846 0.000 1.074 186 L CA 1.095 55.492 54.840 -0.738 0.000 0.745 186 L CB -0.387 40.969 42.059 -1.172 0.000 0.898 186 L HN 0.871 nan 8.230 nan 0.000 0.433 187 G N -2.357 106.004 108.800 -0.731 0.000 2.356 187 G HA2 0.108 4.071 3.960 0.005 0.000 0.266 187 G HA3 0.108 4.071 3.960 0.005 0.000 0.266 187 G C -2.305 172.580 174.900 -0.026 0.000 1.312 187 G CA -0.420 44.383 45.100 -0.495 0.000 0.922 187 G HN 0.143 nan 8.290 nan 0.000 0.480 188 W N -0.963 120.479 121.300 0.236 0.000 2.799 188 W HA 0.872 5.534 4.660 0.005 0.000 0.349 188 W C -0.350 176.361 176.519 0.320 0.000 1.100 188 W CA -1.335 56.141 57.345 0.218 0.000 1.174 188 W CB 1.308 30.838 29.460 0.117 0.000 1.427 188 W HN 0.491 nan 8.180 nan 0.000 0.547 189 M N 2.956 122.817 119.600 0.436 0.000 2.395 189 M HA 0.570 5.053 4.480 0.005 0.000 0.307 189 M C -1.064 175.411 176.300 0.291 0.000 1.091 189 M CA -0.755 54.702 55.300 0.261 0.000 0.919 189 M CB 2.204 34.850 32.600 0.077 0.000 1.662 189 M HN 0.433 nan 8.290 nan 0.000 0.440 190 I N 1.786 122.551 120.570 0.324 0.000 2.545 190 I HA 0.263 4.436 4.170 0.005 0.000 0.292 190 I C -0.278 175.942 176.117 0.173 0.000 1.040 190 I CA -0.859 60.595 61.300 0.256 0.000 1.068 190 I CB 2.299 40.491 38.000 0.319 0.000 1.251 190 I HN 0.602 nan 8.210 nan 0.000 0.424 191 Q N 5.056 124.916 119.800 0.099 0.000 2.369 191 Q HA 0.273 4.616 4.340 0.005 0.000 0.247 191 Q C -0.905 175.140 176.000 0.075 0.000 1.083 191 Q CA 0.403 56.251 55.803 0.074 0.000 0.905 191 Q CB 0.801 29.565 28.738 0.043 0.000 1.305 191 Q HN 0.810 nan 8.270 nan 0.000 0.465 192 T N 1.228 115.839 114.554 0.095 0.000 2.885 192 T HA 0.203 4.556 4.350 0.005 0.000 0.322 192 T C 0.063 174.811 174.700 0.080 0.000 1.387 192 T CA -0.460 61.692 62.100 0.087 0.000 1.041 192 T CB 1.463 70.400 68.868 0.115 0.000 1.287 192 T HN 0.625 nan 8.240 nan 0.000 0.491 193 E N 0.745 120.981 120.200 0.060 0.000 2.478 193 E HA 0.041 4.394 4.350 0.005 0.000 0.194 193 E C -0.244 176.383 176.600 0.044 0.000 1.045 193 E CA -0.026 56.401 56.400 0.045 0.000 0.868 193 E CB 0.281 29.999 29.700 0.031 0.000 0.885 193 E HN 0.493 nan 8.360 nan 0.000 0.505 194 D N 0.258 120.698 120.400 0.067 0.000 2.325 194 D HA -0.026 4.617 4.640 0.005 0.000 0.251 194 D C 0.727 177.087 176.300 0.099 0.000 1.196 194 D CA 0.175 54.214 54.000 0.066 0.000 0.866 194 D CB 1.413 42.256 40.800 0.071 0.000 1.101 194 D HN 0.024 nan 8.370 nan 0.000 0.476 195 T N 0.405 114.986 114.554 0.045 0.000 3.107 195 T HA 0.078 4.431 4.350 0.005 0.000 0.249 195 T C 0.792 175.516 174.700 0.040 0.000 1.096 195 T CA -0.385 61.736 62.100 0.035 0.000 1.012 195 T CB -0.034 68.820 68.868 -0.022 0.000 0.977 195 T HN 0.403 nan 8.240 nan 0.000 0.527 196 E N 0.889 121.081 120.200 -0.012 0.000 2.480 196 E HA 0.016 4.369 4.350 0.005 0.000 0.258 196 E C -0.518 176.060 176.600 -0.036 0.000 0.984 196 E CA 0.028 56.299 56.400 -0.215 0.000 0.930 196 E CB -0.103 29.314 29.700 -0.473 0.000 0.936 196 E HN 0.604 nan 8.360 nan 0.000 0.466 197 Y N 0.162 120.566 120.300 0.174 0.000 4.936 197 Y HA -0.348 4.205 4.550 0.005 0.000 0.260 197 Y C 0.604 176.669 175.900 0.274 0.000 0.928 197 Y CA 0.393 58.627 58.100 0.223 0.000 1.869 197 Y CB -2.134 36.475 38.460 0.248 0.000 1.344 197 Y HN 0.514 nan 8.280 nan 0.000 0.521 198 S N 1.112 116.952 115.700 0.233 0.000 2.601 198 S HA 0.628 5.101 4.470 0.005 0.000 0.271 198 S C -0.019 174.458 174.600 -0.205 0.000 1.305 198 S CA -0.990 57.073 58.200 -0.229 0.000 1.022 198 S CB 1.418 64.396 63.200 -0.370 0.000 0.940 198 S HN 0.291 nan 8.310 nan 0.000 0.525 199 L N 3.107 124.127 121.223 -0.338 0.000 2.380 199 L HA 0.387 4.730 4.340 0.005 0.000 0.273 199 L C -1.708 175.027 176.870 -0.225 0.000 1.138 199 L CA -1.871 52.826 54.840 -0.239 0.000 0.832 199 L CB 0.313 42.200 42.059 -0.285 0.000 1.124 199 L HN 0.588 nan 8.230 nan 0.000 0.454 200 P HA 0.007 nan 4.420 nan 0.000 0.275 200 P C -1.007 176.213 177.300 -0.134 0.000 1.227 200 P CA -0.548 62.479 63.100 -0.122 0.000 0.781 200 P CB 0.884 32.537 31.700 -0.078 0.000 0.906 201 Q N 3.486 123.206 119.800 -0.133 0.000 2.274 201 Q HA 0.122 4.465 4.340 0.005 0.000 0.280 201 Q C -1.832 174.122 176.000 -0.077 0.000 1.047 201 Q CA -1.323 54.406 55.803 -0.123 0.000 0.907 201 Q CB -0.246 28.423 28.738 -0.116 0.000 1.171 201 Q HN 0.322 nan 8.270 nan 0.000 0.381 202 P HA -0.037 nan 4.420 nan 0.000 0.266 202 P C -1.199 176.102 177.300 0.002 0.000 1.193 202 P CA 0.306 63.404 63.100 -0.002 0.000 0.770 202 P CB 0.551 32.277 31.700 0.044 0.000 0.836 203 E N 0.933 121.141 120.200 0.012 0.000 2.212 203 E HA 0.445 4.798 4.350 0.005 0.000 0.268 203 E C -0.530 176.095 176.600 0.042 0.000 0.902 203 E CA -1.030 55.380 56.400 0.016 0.000 0.779 203 E CB 1.567 31.271 29.700 0.007 0.000 1.172 203 E HN 0.394 nan 8.360 nan 0.000 0.409 204 I N 2.298 122.901 120.570 0.054 0.000 2.519 204 I HA 0.316 4.489 4.170 0.005 0.000 0.287 204 I C -0.196 175.955 176.117 0.057 0.000 1.047 204 I CA -0.304 61.036 61.300 0.067 0.000 1.381 204 I CB 0.776 38.822 38.000 0.077 0.000 1.417 204 I HN 0.617 nan 8.210 nan 0.000 0.540 205 A N 5.527 128.379 122.820 0.054 0.000 2.524 205 A HA 0.266 4.588 4.320 0.005 0.000 0.250 205 A C 1.398 179.013 177.584 0.051 0.000 1.078 205 A CA 0.393 52.458 52.037 0.046 0.000 0.761 205 A CB 0.170 19.194 19.000 0.040 0.000 1.012 205 A HN 1.097 nan 8.150 nan 0.000 0.500 206 G N 1.652 110.483 108.800 0.052 0.000 2.503 206 G HA2 -0.344 3.619 3.960 0.005 0.000 0.221 206 G HA3 -0.344 3.619 3.960 0.005 0.000 0.221 206 G C 1.250 176.180 174.900 0.050 0.000 1.131 206 G CA 1.474 46.609 45.100 0.058 0.000 0.756 206 G HN 0.900 nan 8.290 nan 0.000 0.572 207 E N 0.467 120.692 120.200 0.041 0.000 2.130 207 E HA -0.131 4.222 4.350 0.005 0.000 0.196 207 E C 2.417 179.041 176.600 0.039 0.000 0.998 207 E CA 0.968 57.390 56.400 0.037 0.000 0.806 207 E CB -0.436 29.283 29.700 0.031 0.000 0.738 207 E HN 0.504 nan 8.360 nan 0.000 0.459 208 L N -0.058 121.191 121.223 0.043 0.000 2.376 208 L HA -0.034 4.309 4.340 0.005 0.000 0.219 208 L C 1.827 178.721 176.870 0.040 0.000 1.133 208 L CA 0.395 55.262 54.840 0.045 0.000 0.816 208 L CB -0.217 41.875 42.059 0.054 0.000 0.933 208 L HN 0.204 nan 8.230 nan 0.000 0.449 209 L N -0.221 121.028 121.223 0.043 0.000 2.612 209 L HA 0.059 4.402 4.340 0.005 0.000 0.230 209 L C 0.565 177.457 176.870 0.037 0.000 1.140 209 L CA 0.194 55.056 54.840 0.037 0.000 0.896 209 L CB -0.299 41.791 42.059 0.052 0.000 1.065 209 L HN 0.166 nan 8.230 nan 0.000 0.447 210 K N 1.137 121.560 120.400 0.038 0.000 2.174 210 K HA 0.422 4.745 4.320 0.005 0.000 0.275 210 K C -0.332 176.290 176.600 0.038 0.000 1.015 210 K CA -0.407 55.903 56.287 0.039 0.000 0.933 210 K CB 1.865 34.388 32.500 0.038 0.000 1.025 210 K HN 0.005 nan 8.250 nan 0.000 0.463 211 I N 1.821 122.417 120.570 0.044 0.000 2.342 211 I HA 0.081 4.254 4.170 0.005 0.000 0.291 211 I C 0.001 176.185 176.117 0.112 0.000 1.010 211 I CA -0.108 61.228 61.300 0.061 0.000 1.308 211 I CB 1.548 39.558 38.000 0.018 0.000 1.400 211 I HN 0.461 nan 8.210 nan 0.000 0.488 212 S N 3.507 119.276 115.700 0.114 0.000 2.537 212 S HA 0.648 5.121 4.470 0.005 0.000 0.301 212 S C 0.191 174.810 174.600 0.033 0.000 1.092 212 S CA -0.735 57.507 58.200 0.071 0.000 1.048 212 S CB 1.872 65.075 63.200 0.005 0.000 1.053 212 S HN 0.785 nan 8.310 nan 0.000 0.501 213 G N 0.560 109.310 108.800 -0.083 0.000 2.425 213 G HA2 0.691 4.654 3.960 0.005 0.000 0.302 213 G HA3 0.691 4.654 3.960 0.005 0.000 0.302 213 G C -0.683 173.932 174.900 -0.475 0.000 1.159 213 G CA -0.412 44.448 45.100 -0.400 0.000 0.865 213 G HN 0.961 nan 8.290 nan 0.000 0.515 214 A N 1.347 123.657 122.820 -0.850 0.000 2.599 214 A HA 0.910 5.233 4.320 0.005 0.000 0.290 214 A C -0.560 176.536 177.584 -0.813 0.000 1.101 214 A CA -0.881 50.696 52.037 -0.768 0.000 0.674 214 A CB 1.587 19.999 19.000 -0.980 0.000 1.277 214 A HN 0.741 nan 8.150 nan 0.000 0.419 215 R N -0.053 120.254 120.500 -0.322 0.000 2.771 215 R HA 0.638 4.981 4.340 0.005 0.000 0.274 215 R C -1.281 175.185 176.300 0.277 0.000 0.987 215 R CA -0.783 55.330 56.100 0.021 0.000 0.908 215 R CB 1.809 32.147 30.300 0.063 0.000 1.213 215 R HN 0.611 nan 8.270 nan 0.000 0.468 216 L N 1.191 122.657 121.223 0.405 0.000 2.421 216 L HA 0.263 4.606 4.340 0.005 0.000 0.263 216 L C 0.487 177.499 176.870 0.237 0.000 1.122 216 L CA -0.661 54.390 54.840 0.352 0.000 0.804 216 L CB 0.969 43.239 42.059 0.351 0.000 1.150 216 L HN 0.602 nan 8.230 nan 0.000 0.457 217 E N 2.098 122.386 120.200 0.148 0.000 2.220 217 E HA -0.072 4.281 4.350 0.005 0.000 0.272 217 E C -0.228 176.435 176.600 0.105 0.000 1.099 217 E CA -0.093 56.355 56.400 0.080 0.000 0.907 217 E CB 0.198 29.916 29.700 0.030 0.000 1.022 217 E HN 0.354 nan 8.360 nan 0.000 0.428 218 N N 4.822 123.544 118.700 0.037 0.000 2.421 218 N HA 0.003 4.745 4.740 0.005 0.000 0.260 218 N C -0.717 174.750 175.510 -0.071 0.000 1.173 218 N CA 0.078 53.069 53.050 -0.099 0.000 0.960 218 N CB 0.308 38.503 38.487 -0.487 0.000 1.273 218 N HN 0.479 nan 8.380 nan 0.000 0.497 219 K N 1.773 122.187 120.400 0.023 0.000 2.681 219 K HA 0.223 4.546 4.320 0.005 0.000 0.211 219 K C 0.761 177.369 176.600 0.013 0.000 1.075 219 K CA -0.100 56.183 56.287 -0.007 0.000 1.141 219 K CB 0.221 32.709 32.500 -0.020 0.000 0.896 219 K HN 0.616 nan 8.250 nan 0.000 0.470 220 G N 1.831 110.662 108.800 0.052 0.000 2.168 220 G HA2 -0.356 3.607 3.960 0.005 0.000 0.257 220 G HA3 -0.356 3.607 3.960 0.005 0.000 0.257 220 G C 0.674 175.633 174.900 0.100 0.000 0.997 220 G CA 0.538 45.705 45.100 0.111 0.000 0.708 220 G HN 0.406 nan 8.290 nan 0.000 0.520 221 Q N -1.025 118.790 119.800 0.025 0.000 2.234 221 Q HA 0.079 4.422 4.340 0.005 0.000 0.206 221 Q C 1.713 177.372 176.000 -0.568 0.000 0.980 221 Q CA 1.625 57.217 55.803 -0.351 0.000 0.869 221 Q CB -0.178 28.163 28.738 -0.661 0.000 0.912 221 Q HN 0.712 nan 8.270 nan 0.000 0.436 222 F N -0.275 119.660 119.950 -0.025 0.000 2.639 222 F HA 0.153 4.683 4.527 0.005 0.000 0.302 222 F C 0.857 176.749 175.800 0.154 0.000 1.097 222 F CA -0.430 57.496 58.000 -0.123 0.000 1.294 222 F CB 0.512 39.211 39.000 -0.502 0.000 1.027 222 F HN -0.052 nan 8.300 nan 0.000 0.550 223 D N 0.526 121.089 120.400 0.272 0.000 2.144 223 D HA -0.069 4.573 4.640 0.005 0.000 0.199 223 D C 1.679 178.114 176.300 0.224 0.000 0.984 223 D CA 1.153 55.292 54.000 0.232 0.000 0.834 223 D CB -0.148 40.741 40.800 0.148 0.000 0.955 223 D HN 0.337 nan 8.370 nan 0.000 0.465 224 G N -0.564 108.372 108.800 0.228 0.000 3.008 224 G HA2 0.327 4.290 3.960 0.005 0.000 0.181 224 G HA3 0.327 4.290 3.960 0.005 0.000 0.181 224 G C -0.673 174.385 174.900 0.264 0.000 1.309 224 G CA -0.680 44.541 45.100 0.201 0.000 1.009 224 G HN -0.103 nan 8.290 nan 0.000 0.584 225 K N 2.040 122.530 120.400 0.150 0.000 2.228 225 K HA 0.081 4.404 4.320 0.005 0.000 0.284 225 K C 0.804 177.470 176.600 0.111 0.000 1.088 225 K CA -0.344 55.984 56.287 0.069 0.000 0.941 225 K CB 0.366 32.871 32.500 0.009 0.000 1.158 225 K HN 0.668 nan 8.250 nan 0.000 0.438 226 W N 3.834 125.193 121.300 0.099 0.000 3.003 226 W HA 0.112 4.775 4.660 0.005 0.000 0.257 226 W C -0.398 176.173 176.519 0.085 0.000 1.308 226 W CA -0.304 57.091 57.345 0.084 0.000 1.529 226 W CB -0.350 29.198 29.460 0.147 0.000 1.115 226 W HN 0.194 nan 8.180 nan 0.000 0.659 227 L N 2.208 123.159 121.223 -0.454 0.000 2.334 227 L HA 0.251 4.594 4.340 0.005 0.000 0.275 227 L C -0.133 176.636 176.870 -0.167 0.000 1.036 227 L CA -0.591 54.028 54.840 -0.368 0.000 0.807 227 L CB 1.153 42.872 42.059 -0.566 0.000 1.231 227 L HN -0.329 nan 8.230 nan 0.000 0.438 228 D N 1.745 122.091 120.400 -0.091 0.000 2.347 228 D HA 0.076 4.719 4.640 0.005 0.000 0.235 228 D C 0.554 176.827 176.300 -0.045 0.000 1.149 228 D CA -0.079 53.893 54.000 -0.047 0.000 0.850 228 D CB 1.033 41.821 40.800 -0.020 0.000 1.061 228 D HN 0.488 nan 8.370 nan 0.000 0.487 229 E N 2.230 122.405 120.200 -0.041 0.000 2.511 229 E HA -0.040 4.312 4.350 0.005 0.000 0.196 229 E C 1.009 177.598 176.600 -0.018 0.000 1.066 229 E CA 0.400 56.781 56.400 -0.033 0.000 0.871 229 E CB 0.484 30.164 29.700 -0.033 0.000 0.863 229 E HN 0.426 nan 8.360 nan 0.000 0.520 230 K N 0.793 121.184 120.400 -0.014 0.000 2.356 230 K HA -0.001 4.321 4.320 0.005 0.000 0.195 230 K C 0.240 176.837 176.600 -0.006 0.000 1.037 230 K CA 0.123 56.406 56.287 -0.008 0.000 1.014 230 K CB 0.254 32.750 32.500 -0.006 0.000 0.815 230 K HN 0.005 nan 8.250 nan 0.000 0.507 231 D N 1.124 121.520 120.400 -0.007 0.000 2.317 231 D HA 0.049 4.692 4.640 0.005 0.000 0.252 231 D C -1.910 174.391 176.300 0.003 0.000 1.174 231 D CA -2.136 51.862 54.000 -0.003 0.000 0.866 231 D CB 1.515 42.313 40.800 -0.004 0.000 1.127 231 D HN -0.204 nan 8.370 nan 0.000 0.467 232 P HA -0.167 nan 4.420 nan 0.000 0.216 232 P C 1.279 178.598 177.300 0.032 0.000 1.153 232 P CA 0.399 63.508 63.100 0.015 0.000 0.858 232 P CB 0.135 31.842 31.700 0.012 0.000 0.789 233 L N -0.171 121.074 121.223 0.036 0.000 2.005 233 L HA -0.167 4.175 4.340 0.005 0.000 0.207 233 L C 2.290 179.204 176.870 0.073 0.000 1.072 233 L CA 1.945 56.829 54.840 0.073 0.000 0.744 233 L CB -1.661 40.443 42.059 0.075 0.000 0.895 233 L HN -0.069 nan 8.230 nan 0.000 0.433 234 Q N -0.717 119.101 119.800 0.031 0.000 2.124 234 Q HA -0.235 4.108 4.340 0.005 0.000 0.202 234 Q C 2.138 178.146 176.000 0.013 0.000 0.977 234 Q CA 1.668 57.472 55.803 0.003 0.000 0.850 234 Q CB -0.395 28.320 28.738 -0.039 0.000 0.901 234 Q HN 0.660 nan 8.270 nan 0.000 0.429 235 N N 0.129 118.833 118.700 0.006 0.000 2.188 235 N HA -0.138 4.605 4.740 0.005 0.000 0.184 235 N C 1.663 177.175 175.510 0.005 0.000 1.018 235 N CA 1.014 54.061 53.050 -0.005 0.000 0.858 235 N CB 0.071 38.554 38.487 -0.006 0.000 0.989 235 N HN 0.192 nan 8.380 nan 0.000 0.426 236 A N 0.121 122.968 122.820 0.044 0.000 1.972 236 A HA -0.179 4.144 4.320 0.005 0.000 0.219 236 A C 2.001 179.613 177.584 0.047 0.000 1.169 236 A CA 0.874 52.956 52.037 0.076 0.000 0.635 236 A CB -0.962 18.121 19.000 0.139 0.000 0.810 236 A HN 0.583 nan 8.150 nan 0.000 0.446 237 Y N 0.433 120.644 120.300 -0.149 0.000 2.224 237 Y HA -0.148 4.405 4.550 0.005 0.000 0.289 237 Y C 2.242 177.964 175.900 -0.296 0.000 1.146 237 Y CA 1.880 59.702 58.100 -0.463 0.000 1.182 237 Y CB -0.172 37.968 38.460 -0.533 0.000 0.983 237 Y HN 0.068 nan 8.280 nan 0.000 0.524 238 V N 0.467 120.267 119.914 -0.190 0.000 2.548 238 V HA -0.246 3.877 4.120 0.005 0.000 0.249 238 V C 2.238 178.222 176.094 -0.185 0.000 1.055 238 V CA 1.786 63.964 62.300 -0.202 0.000 1.065 238 V CB -0.548 31.211 31.823 -0.107 0.000 0.681 238 V HN 0.393 nan 8.190 nan 0.000 0.462 239 Q N -0.108 119.618 119.800 -0.122 0.000 2.226 239 Q HA -0.067 4.276 4.340 0.005 0.000 0.204 239 Q C 2.215 178.159 176.000 -0.093 0.000 0.975 239 Q CA 1.684 57.439 55.803 -0.080 0.000 0.866 239 Q CB -0.297 28.421 28.738 -0.033 0.000 0.915 239 Q HN 0.669 nan 8.270 nan 0.000 0.440 240 A N -0.041 122.694 122.820 -0.143 0.000 2.169 240 A HA 0.054 4.377 4.320 0.005 0.000 0.210 240 A C 1.337 178.792 177.584 -0.214 0.000 1.168 240 A CA 0.402 52.372 52.037 -0.112 0.000 0.813 240 A CB 0.350 19.382 19.000 0.052 0.000 0.861 240 A HN 0.221 nan 8.150 nan 0.000 0.481 241 N N -1.674 116.805 118.700 -0.369 0.000 2.028 241 N HA 0.248 4.991 4.740 0.005 0.000 0.230 241 N C 0.758 176.142 175.510 -0.210 0.000 1.354 241 N CA 0.886 53.728 53.050 -0.347 0.000 0.855 241 N CB 1.388 39.473 38.487 -0.671 0.000 1.111 241 N HN 0.562 nan 8.380 nan 0.000 0.480 242 G N 1.537 110.222 108.800 -0.192 0.000 2.698 242 G HA2 -0.214 3.749 3.960 0.005 0.000 0.225 242 G HA3 -0.214 3.749 3.960 0.005 0.000 0.225 242 G C -0.802 174.045 174.900 -0.089 0.000 1.345 242 G CA -0.647 44.396 45.100 -0.095 0.000 0.871 242 G HN 0.075 nan 8.290 nan 0.000 0.540 243 Q N 0.154 119.927 119.800 -0.045 0.000 3.184 243 Q HA 0.458 4.801 4.340 0.005 0.000 0.288 243 Q C 0.016 176.114 176.000 0.164 0.000 1.412 243 Q CA 0.230 55.963 55.803 -0.115 0.000 0.991 243 Q CB 0.499 29.183 28.738 -0.090 0.000 1.688 243 Q HN 0.600 nan 8.270 nan 0.000 0.554 244 V N 1.566 121.598 119.914 0.197 0.000 2.971 244 V HA 0.309 4.432 4.120 0.005 0.000 0.309 244 V C 0.049 176.379 176.094 0.394 0.000 1.130 244 V CA -0.527 61.969 62.300 0.328 0.000 0.964 244 V CB 2.167 34.084 31.823 0.157 0.000 1.029 244 V HN 0.387 nan 8.190 nan 0.000 0.427 245 I N 2.567 123.356 120.570 0.364 0.000 3.650 245 I HA 0.391 4.564 4.170 0.005 0.000 0.261 245 I C 0.391 176.573 176.117 0.109 0.000 1.154 245 I CA 0.887 62.335 61.300 0.246 0.000 1.418 245 I CB 0.505 38.612 38.000 0.178 0.000 1.539 245 I HN 0.867 nan 8.210 nan 0.000 0.449 246 N N -0.214 118.513 118.700 0.044 0.000 3.038 246 N HA 0.153 4.896 4.740 0.005 0.000 0.307 246 N C 0.483 176.017 175.510 0.041 0.000 1.441 246 N CA -0.317 52.748 53.050 0.025 0.000 0.772 246 N CB 0.524 39.004 38.487 -0.011 0.000 1.651 246 N HN 0.200 nan 8.380 nan 0.000 0.593 247 Q N -1.053 118.772 119.800 0.041 0.000 2.170 247 Q HA -0.112 4.231 4.340 0.005 0.000 0.203 247 Q C -0.840 175.195 176.000 0.058 0.000 0.976 247 Q CA 1.647 57.479 55.803 0.048 0.000 0.858 247 Q CB 0.063 28.822 28.738 0.036 0.000 0.907 247 Q HN 0.657 nan 8.270 nan 0.000 0.433 248 D N -0.923 119.510 120.400 0.054 0.000 2.336 248 D HA 0.148 4.791 4.640 0.005 0.000 0.248 248 D C -2.215 174.124 176.300 0.065 0.000 1.326 248 D CA -2.176 51.886 54.000 0.103 0.000 0.973 248 D CB 1.619 42.494 40.800 0.125 0.000 1.255 248 D HN -0.035 nan 8.370 nan 0.000 0.558 249 P HA -0.109 nan 4.420 nan 0.000 0.231 249 P C 0.558 177.698 177.300 -0.267 0.000 1.158 249 P CA 0.576 63.430 63.100 -0.410 0.000 0.763 249 P CB 0.018 31.015 31.700 -1.170 0.000 0.805 250 Y N -1.744 118.646 120.300 0.149 0.000 2.511 250 Y HA 0.087 4.640 4.550 0.005 0.000 0.279 250 Y C 1.634 177.734 175.900 0.333 0.000 1.157 250 Y CA 0.095 58.359 58.100 0.272 0.000 1.300 250 Y CB -0.382 38.202 38.460 0.207 0.000 1.052 250 Y HN 0.085 nan 8.280 nan 0.000 0.529 251 H N 0.356 119.588 119.070 0.270 0.000 2.458 251 H HA 0.303 4.861 4.556 0.005 0.000 0.330 251 H C -1.069 174.364 175.328 0.174 0.000 1.111 251 H CA -0.582 55.562 56.048 0.159 0.000 1.245 251 H CB 1.050 30.816 29.762 0.007 0.000 1.456 251 H HN 0.216 nan 8.280 nan 0.000 0.488 252 Y N 2.584 122.520 120.300 -0.608 0.000 2.728 252 Y HA 0.528 5.081 4.550 0.005 0.000 0.330 252 Y C -2.050 173.496 175.900 -0.590 0.000 1.234 252 Y CA -1.150 56.714 58.100 -0.394 0.000 1.070 252 Y CB 1.173 39.553 38.460 -0.134 0.000 1.300 252 Y HN 0.364 nan 8.280 nan 0.000 0.467 253 Y N 0.094 120.339 120.300 -0.092 0.000 2.570 253 Y HA 0.704 5.257 4.550 0.005 0.000 0.345 253 Y C -0.094 175.780 175.900 -0.043 0.000 1.014 253 Y CA -0.624 57.390 58.100 -0.144 0.000 1.063 253 Y CB 2.592 41.019 38.460 -0.054 0.000 1.272 253 Y HN 0.802 nan 8.280 nan 0.000 0.477 254 T N 0.144 114.755 114.554 0.095 0.000 2.906 254 T HA 0.876 5.229 4.350 0.005 0.000 0.295 254 T C -0.915 173.809 174.700 0.040 0.000 1.075 254 T CA -0.757 61.380 62.100 0.062 0.000 1.005 254 T CB 1.602 70.499 68.868 0.048 0.000 1.136 254 T HN 0.687 nan 8.240 nan 0.000 0.498 255 I N -1.303 119.269 120.570 0.002 0.000 3.074 255 I HA 0.763 4.936 4.170 0.005 0.000 0.310 255 I C 0.014 176.126 176.117 -0.009 0.000 1.153 255 I CA -1.270 60.028 61.300 -0.002 0.000 0.993 255 I CB 2.344 40.333 38.000 -0.018 0.000 1.237 255 I HN 0.862 nan 8.210 nan 0.000 0.443 256 T N -1.175 113.385 114.554 0.011 0.000 2.882 256 T HA 0.314 4.667 4.350 0.005 0.000 0.287 256 T C 0.665 175.387 174.700 0.038 0.000 1.014 256 T CA -0.309 61.809 62.100 0.031 0.000 1.049 256 T CB 1.456 70.353 68.868 0.048 0.000 1.001 256 T HN 0.793 nan 8.240 nan 0.000 0.525 257 E N 0.757 121.002 120.200 0.076 0.000 2.160 257 E HA -0.115 4.238 4.350 0.005 0.000 0.195 257 E C 2.287 178.953 176.600 0.111 0.000 0.991 257 E CA 1.197 57.672 56.400 0.124 0.000 0.810 257 E CB -0.106 29.707 29.700 0.190 0.000 0.742 257 E HN 0.670 nan 8.360 nan 0.000 0.466 258 S N 0.545 116.309 115.700 0.108 0.000 2.383 258 S HA -0.121 4.352 4.470 0.005 0.000 0.227 258 S C 2.075 176.710 174.600 0.060 0.000 1.026 258 S CA 0.868 59.135 58.200 0.112 0.000 0.981 258 S CB -0.059 63.215 63.200 0.122 0.000 0.818 258 S HN 0.378 nan 8.310 nan 0.000 0.472 259 A N 1.542 124.384 122.820 0.035 0.000 1.898 259 A HA -0.121 4.202 4.320 0.005 0.000 0.216 259 A C 2.048 179.606 177.584 -0.043 0.000 1.181 259 A CA 1.497 53.531 52.037 -0.005 0.000 0.620 259 A CB -0.592 18.402 19.000 -0.011 0.000 0.819 259 A HN 0.545 nan 8.150 nan 0.000 0.442 260 E N -0.180 120.008 120.200 -0.021 0.000 2.085 260 E HA -0.287 4.066 4.350 0.005 0.000 0.194 260 E C 2.132 178.664 176.600 -0.114 0.000 0.994 260 E CA 1.596 57.970 56.400 -0.043 0.000 0.801 260 E CB -0.164 29.564 29.700 0.046 0.000 0.743 260 E HN 0.768 nan 8.360 nan 0.000 0.453 261 Q N 0.098 119.863 119.800 -0.057 0.000 2.135 261 Q HA -0.224 4.119 4.340 0.005 0.000 0.204 261 Q C 2.035 177.968 176.000 -0.112 0.000 0.981 261 Q CA 1.716 57.463 55.803 -0.094 0.000 0.856 261 Q CB -0.078 28.638 28.738 -0.036 0.000 0.902 261 Q HN 0.170 nan 8.270 nan 0.000 0.425 262 E N 0.800 120.955 120.200 -0.075 0.000 2.072 262 E HA -0.130 4.223 4.350 0.005 0.000 0.191 262 E C 1.676 178.167 176.600 -0.182 0.000 0.985 262 E CA 0.953 57.316 56.400 -0.062 0.000 0.801 262 E CB -0.150 29.539 29.700 -0.018 0.000 0.750 262 E HN 0.309 nan 8.360 nan 0.000 0.452 263 L N 0.034 121.101 121.223 -0.259 0.000 2.083 263 L HA -0.117 4.226 4.340 0.005 0.000 0.209 263 L C 2.462 179.138 176.870 -0.324 0.000 1.083 263 L CA 0.891 55.504 54.840 -0.378 0.000 0.752 263 L CB -0.343 41.538 42.059 -0.296 0.000 0.899 263 L HN 0.208 nan 8.230 nan 0.000 0.433 264 I N -0.300 120.009 120.570 -0.435 0.000 2.226 264 I HA -0.318 3.855 4.170 0.005 0.000 0.245 264 I C 2.535 178.542 176.117 -0.184 0.000 1.100 264 I CA 1.480 62.449 61.300 -0.551 0.000 1.374 264 I CB -0.188 37.428 38.000 -0.641 0.000 1.057 264 I HN 0.211 nan 8.210 nan 0.000 0.413 265 K N 0.585 120.913 120.400 -0.120 0.000 2.031 265 K HA -0.072 4.250 4.320 0.005 0.000 0.205 265 K C 2.286 178.909 176.600 0.038 0.000 1.049 265 K CA 1.343 57.642 56.287 0.020 0.000 0.939 265 K CB -0.264 32.278 32.500 0.069 0.000 0.717 265 K HN 0.266 nan 8.250 nan 0.000 0.438 266 A N 1.078 123.810 122.820 -0.147 0.000 1.908 266 A HA -0.182 4.141 4.320 0.005 0.000 0.218 266 A C 2.223 179.720 177.584 -0.144 0.000 1.181 266 A CA 2.146 53.924 52.037 -0.432 0.000 0.627 266 A CB -1.035 17.310 19.000 -1.092 0.000 0.818 266 A HN 0.264 nan 8.150 nan 0.000 0.445 267 T N 0.289 114.825 114.554 -0.031 0.000 2.674 267 T HA -0.159 4.194 4.350 0.005 0.000 0.265 267 T C 1.823 176.592 174.700 0.115 0.000 1.039 267 T CA 1.871 64.035 62.100 0.106 0.000 1.150 267 T CB -0.508 68.489 68.868 0.215 0.000 0.864 267 T HN 0.662 nan 8.240 nan 0.000 0.427 268 N N 0.460 119.250 118.700 0.151 0.000 2.104 268 N HA -0.093 4.650 4.740 0.005 0.000 0.190 268 N C 1.929 177.577 175.510 0.231 0.000 1.024 268 N CA 1.200 54.382 53.050 0.220 0.000 0.853 268 N CB -0.049 38.583 38.487 0.243 0.000 1.008 268 N HN 0.517 nan 8.380 nan 0.000 0.424 269 E N 0.503 120.810 120.200 0.179 0.000 2.046 269 E HA -0.079 4.274 4.350 0.005 0.000 0.190 269 E C 1.793 178.331 176.600 -0.104 0.000 0.982 269 E CA 0.611 57.013 56.400 0.003 0.000 0.800 269 E CB -0.005 29.743 29.700 0.080 0.000 0.756 269 E HN 0.290 nan 8.360 nan 0.000 0.449 270 L N 0.242 121.437 121.223 -0.047 0.000 2.083 270 L HA -0.202 4.141 4.340 0.005 0.000 0.209 270 L C 2.611 179.537 176.870 0.093 0.000 1.083 270 L CA 1.433 56.249 54.840 -0.041 0.000 0.752 270 L CB -0.516 41.538 42.059 -0.007 0.000 0.899 270 L HN 0.326 nan 8.230 nan 0.000 0.433 271 H N 0.454 119.536 119.070 0.019 0.000 2.290 271 H HA -0.195 4.364 4.556 0.005 0.000 0.298 271 H C 2.150 177.629 175.328 0.252 0.000 1.087 271 H CA 1.930 58.065 56.048 0.144 0.000 1.291 271 H CB -0.143 29.712 29.762 0.154 0.000 1.369 271 H HN 0.154 nan 8.280 nan 0.000 0.492 272 L N -0.588 120.693 121.223 0.096 0.000 2.042 272 L HA -0.212 4.131 4.340 0.005 0.000 0.210 272 L C 2.711 179.706 176.870 0.208 0.000 1.076 272 L CA 1.605 56.521 54.840 0.126 0.000 0.749 272 L CB -0.440 41.688 42.059 0.114 0.000 0.893 272 L HN 0.390 nan 8.230 nan 0.000 0.432 273 M N -1.825 117.745 119.600 -0.050 0.000 2.159 273 M HA -0.216 4.267 4.480 0.005 0.000 0.263 273 M C 2.270 178.627 176.300 0.094 0.000 1.063 273 M CA 1.890 57.062 55.300 -0.213 0.000 1.110 273 M CB -0.415 31.679 32.600 -0.843 0.000 1.374 273 M HN 0.109 nan 8.290 nan 0.000 0.411 274 Y N 0.523 120.836 120.300 0.022 0.000 2.293 274 Y HA -0.135 4.418 4.550 0.005 0.000 0.291 274 Y C 2.108 178.047 175.900 0.066 0.000 1.137 274 Y CA 1.131 59.291 58.100 0.100 0.000 1.202 274 Y CB -0.220 38.370 38.460 0.218 0.000 0.990 274 Y HN 0.138 nan 8.280 nan 0.000 0.537 275 L N -1.217 120.109 121.223 0.172 0.000 2.046 275 L HA -0.270 4.073 4.340 0.005 0.000 0.208 275 L C 2.075 178.953 176.870 0.014 0.000 1.077 275 L CA 1.500 56.392 54.840 0.087 0.000 0.747 275 L CB -0.681 41.366 42.059 -0.020 0.000 0.896 275 L HN 0.305 nan 8.230 nan 0.000 0.432 276 H N -0.407 118.744 119.070 0.136 0.000 2.389 276 H HA -0.063 4.496 4.556 0.005 0.000 0.299 276 H C 2.273 177.632 175.328 0.052 0.000 1.081 276 H CA 1.295 57.422 56.048 0.132 0.000 1.345 276 H CB -0.151 29.744 29.762 0.222 0.000 1.393 276 H HN 0.334 nan 8.280 nan 0.000 0.520 277 A N -0.094 122.822 122.820 0.159 0.000 1.930 277 A HA -0.155 4.167 4.320 0.005 0.000 0.217 277 A C 2.344 179.868 177.584 -0.100 0.000 1.175 277 A CA 1.840 53.906 52.037 0.048 0.000 0.627 277 A CB -0.806 18.226 19.000 0.055 0.000 0.815 277 A HN 0.403 nan 8.150 nan 0.000 0.443 278 T N -0.193 114.238 114.554 -0.205 0.000 2.708 278 T HA -0.162 4.191 4.350 0.005 0.000 0.266 278 T C 1.673 175.908 174.700 -0.775 0.000 1.037 278 T CA 1.807 63.569 62.100 -0.563 0.000 1.146 278 T CB -0.424 67.948 68.868 -0.826 0.000 0.865 278 T HN 0.653 nan 8.240 nan 0.000 0.435 279 D N 0.444 120.504 120.400 -0.566 0.000 2.104 279 D HA -0.122 4.521 4.640 0.005 0.000 0.194 279 D C 2.172 178.348 176.300 -0.208 0.000 0.994 279 D CA 1.222 55.065 54.000 -0.262 0.000 0.830 279 D CB -0.066 40.789 40.800 0.091 0.000 0.959 279 D HN 0.150 nan 8.370 nan 0.000 0.452 280 K N -0.237 120.075 120.400 -0.147 0.000 2.032 280 K HA -0.109 4.214 4.320 0.005 0.000 0.209 280 K C 1.978 178.476 176.600 -0.171 0.000 1.048 280 K CA 1.101 57.322 56.287 -0.110 0.000 0.927 280 K CB -0.561 31.901 32.500 -0.062 0.000 0.712 280 K HN 0.047 nan 8.250 nan 0.000 0.441 281 V N 1.043 120.809 119.914 -0.246 0.000 2.287 281 V HA -0.260 3.863 4.120 0.005 0.000 0.248 281 V C 2.199 178.042 176.094 -0.419 0.000 1.053 281 V CA 1.940 64.036 62.300 -0.339 0.000 1.027 281 V CB -0.425 31.055 31.823 -0.571 0.000 0.646 281 V HN 0.328 nan 8.190 nan 0.000 0.447 282 L N -0.812 120.123 121.223 -0.480 0.000 2.376 282 L HA -0.088 4.255 4.340 0.005 0.000 0.219 282 L C 2.291 178.995 176.870 -0.277 0.000 1.133 282 L CA 0.855 55.427 54.840 -0.446 0.000 0.816 282 L CB -0.433 41.316 42.059 -0.517 0.000 0.933 282 L HN 0.235 nan 8.230 nan 0.000 0.449 283 K N -0.257 120.022 120.400 -0.202 0.000 2.432 283 K HA -0.003 4.320 4.320 0.005 0.000 0.196 283 K C -0.045 176.490 176.600 -0.108 0.000 1.038 283 K CA 0.413 56.631 56.287 -0.115 0.000 0.986 283 K CB -0.099 32.356 32.500 -0.074 0.000 0.782 283 K HN 0.055 nan 8.250 nan 0.000 0.485 284 D N -0.633 119.678 120.400 -0.147 0.000 2.575 284 D HA 0.113 4.756 4.640 0.005 0.000 0.250 284 D C -0.282 175.929 176.300 -0.148 0.000 1.279 284 D CA -0.302 53.633 54.000 -0.108 0.000 0.925 284 D CB 1.178 41.936 40.800 -0.071 0.000 1.261 284 D HN -0.233 nan 8.370 nan 0.000 0.567 285 D N 2.093 122.434 120.400 -0.098 0.000 2.158 285 D HA -0.166 4.476 4.640 0.005 0.000 0.197 285 D C 1.385 177.672 176.300 -0.022 0.000 0.995 285 D CA 0.900 54.854 54.000 -0.076 0.000 0.846 285 D CB 0.282 41.173 40.800 0.153 0.000 0.941 285 D HN 0.438 nan 8.370 nan 0.000 0.456 286 N N 0.205 118.903 118.700 -0.003 0.000 2.120 286 N HA -0.095 4.648 4.740 0.005 0.000 0.188 286 N C 2.075 177.579 175.510 -0.010 0.000 1.024 286 N CA 0.554 53.609 53.050 0.008 0.000 0.852 286 N CB -0.286 38.200 38.487 -0.002 0.000 1.003 286 N HN 0.281 nan 8.380 nan 0.000 0.424 287 L N 0.373 121.579 121.223 -0.029 0.000 2.005 287 L HA -0.110 4.233 4.340 0.005 0.000 0.207 287 L C 2.337 179.236 176.870 0.049 0.000 1.072 287 L CA 0.580 55.433 54.840 0.022 0.000 0.744 287 L CB -0.516 41.544 42.059 0.002 0.000 0.895 287 L HN 0.112 nan 8.230 nan 0.000 0.433 288 L N 0.739 121.848 121.223 -0.190 0.000 2.081 288 L HA -0.184 4.159 4.340 0.005 0.000 0.212 288 L C 2.590 179.439 176.870 -0.035 0.000 1.080 288 L CA 1.998 56.609 54.840 -0.382 0.000 0.754 288 L CB -0.861 40.633 42.059 -0.942 0.000 0.893 288 L HN 0.180 nan 8.230 nan 0.000 0.433 289 A N -0.889 121.992 122.820 0.101 0.000 2.076 289 A HA -0.151 4.171 4.320 0.005 0.000 0.220 289 A C 2.178 179.895 177.584 0.221 0.000 1.160 289 A CA 1.685 53.913 52.037 0.317 0.000 0.653 289 A CB -0.833 18.332 19.000 0.274 0.000 0.801 289 A HN 0.546 nan 8.150 nan 0.000 0.455 290 L N -2.254 119.082 121.223 0.188 0.000 2.376 290 L HA -0.026 4.317 4.340 0.005 0.000 0.219 290 L C 1.501 178.369 176.870 -0.003 0.000 1.133 290 L CA 0.466 55.337 54.840 0.052 0.000 0.816 290 L CB -0.343 41.686 42.059 -0.050 0.000 0.933 290 L HN 0.334 nan 8.230 nan 0.000 0.449 291 F N -0.402 119.571 119.950 0.037 0.000 2.797 291 F HA 0.015 4.545 4.527 0.005 0.000 0.302 291 F C 0.914 176.773 175.800 0.098 0.000 1.130 291 F CA -0.102 57.932 58.000 0.057 0.000 1.387 291 F CB -0.520 38.490 39.000 0.017 0.000 1.107 291 F HN 0.069 nan 8.300 nan 0.000 0.577 292 D N 0.981 121.521 120.400 0.233 0.000 2.723 292 D HA -0.235 4.407 4.640 0.005 0.000 0.236 292 D C -0.315 176.114 176.300 0.215 0.000 1.138 292 D CA 0.390 54.502 54.000 0.186 0.000 0.676 292 D CB -1.249 39.626 40.800 0.125 0.000 1.069 292 D HN 0.247 nan 8.370 nan 0.000 0.430 293 I N 0.349 121.076 120.570 0.261 0.000 2.336 293 I HA 0.328 4.501 4.170 0.005 0.000 0.292 293 I C -1.755 174.419 176.117 0.096 0.000 0.991 293 I CA -2.191 59.184 61.300 0.125 0.000 1.227 293 I CB 1.482 39.545 38.000 0.105 0.000 1.366 293 I HN -0.116 nan 8.210 nan 0.000 0.466 294 P HA -0.066 nan 4.420 nan 0.000 0.260 294 P C 0.438 177.560 177.300 -0.297 0.000 1.172 294 P CA 0.232 63.228 63.100 -0.174 0.000 0.760 294 P CB 0.475 32.061 31.700 -0.190 0.000 0.773 295 K N 3.009 123.076 120.400 -0.555 0.000 2.211 295 K HA -0.179 4.144 4.320 0.005 0.000 0.204 295 K C 1.627 177.812 176.600 -0.693 0.000 1.047 295 K CA 0.941 56.490 56.287 -1.230 0.000 0.935 295 K CB -0.294 31.538 32.500 -1.114 0.000 0.728 295 K HN 0.333 nan 8.250 nan 0.000 0.452 296 I N 0.942 121.301 120.570 -0.352 0.000 2.493 296 I HA -0.198 3.975 4.170 0.005 0.000 0.254 296 I C 1.390 177.438 176.117 -0.114 0.000 1.160 296 I CA 1.262 62.453 61.300 -0.182 0.000 1.445 296 I CB 0.125 38.053 38.000 -0.120 0.000 1.086 296 I HN 0.140 nan 8.210 nan 0.000 0.433 297 L N -1.504 119.644 121.223 -0.126 0.000 2.558 297 L HA -0.070 4.273 4.340 0.005 0.000 0.225 297 L C 1.873 178.805 176.870 0.103 0.000 1.128 297 L CA -0.064 54.742 54.840 -0.056 0.000 0.868 297 L CB -0.488 41.440 42.059 -0.218 0.000 1.006 297 L HN 0.335 nan 8.230 nan 0.000 0.454 298 W N 1.194 122.414 121.300 -0.133 0.000 2.317 298 W HA -0.123 4.540 4.660 0.004 0.000 0.318 298 W C -0.268 176.208 176.519 -0.071 0.000 1.227 298 W CA 1.130 58.412 57.345 -0.106 0.000 1.269 298 W CB -2.255 27.154 29.460 -0.084 0.000 1.155 298 W HN 0.121 nan 8.180 nan 0.000 0.484 299 P HA -0.144 nan 4.420 nan 0.000 0.217 299 P C 1.633 178.975 177.300 0.070 0.000 1.150 299 P CA 1.997 65.162 63.100 0.107 0.000 0.832 299 P CB 0.005 31.752 31.700 0.079 0.000 0.787 300 R N -0.416 120.118 120.500 0.056 0.000 2.115 300 R HA -0.033 4.310 4.340 0.005 0.000 0.226 300 R C 2.037 178.349 176.300 0.019 0.000 1.100 300 R CA 0.814 56.935 56.100 0.035 0.000 0.980 300 R CB -1.563 28.752 30.300 0.025 0.000 0.875 300 R HN 0.080 nan 8.270 nan 0.000 0.445 301 L N 0.619 121.843 121.223 0.001 0.000 2.046 301 L HA -0.111 4.231 4.340 0.005 0.000 0.208 301 L C 1.854 178.749 176.870 0.041 0.000 1.077 301 L CA 1.788 56.613 54.840 -0.024 0.000 0.747 301 L CB -0.290 41.721 42.059 -0.079 0.000 0.896 301 L HN 0.082 nan 8.230 nan 0.000 0.432 302 R N -0.610 119.908 120.500 0.030 0.000 2.092 302 R HA -0.092 4.251 4.340 0.005 0.000 0.231 302 R C 2.331 178.690 176.300 0.097 0.000 1.119 302 R CA 1.506 57.642 56.100 0.061 0.000 0.970 302 R CB -0.703 29.610 30.300 0.022 0.000 0.864 302 R HN 0.412 nan 8.270 nan 0.000 0.440 303 L N 0.485 121.748 121.223 0.067 0.000 2.012 303 L HA -0.225 4.118 4.340 0.005 0.000 0.210 303 L C 2.741 179.649 176.870 0.063 0.000 1.073 303 L CA 1.415 56.285 54.840 0.051 0.000 0.748 303 L CB -0.487 41.601 42.059 0.048 0.000 0.891 303 L HN 0.242 nan 8.230 nan 0.000 0.431 304 S N -0.665 115.100 115.700 0.108 0.000 2.359 304 S HA -0.269 4.204 4.470 0.005 0.000 0.224 304 S C 1.811 176.562 174.600 0.252 0.000 1.035 304 S CA 1.456 59.767 58.200 0.185 0.000 1.018 304 S CB -0.426 62.896 63.200 0.204 0.000 0.876 304 S HN 0.587 nan 8.310 nan 0.000 0.448 305 W N 1.218 122.508 121.300 -0.016 0.000 2.354 305 W HA -0.188 4.475 4.660 0.005 0.000 0.315 305 W C 2.219 178.546 176.519 -0.321 0.000 1.206 305 W CA 1.616 58.782 57.345 -0.297 0.000 1.290 305 W CB -0.625 28.673 29.460 -0.270 0.000 1.152 305 W HN 0.390 nan 8.180 nan 0.000 0.489 306 Q N 0.362 120.011 119.800 -0.251 0.000 2.096 306 Q HA -0.205 4.137 4.340 0.005 0.000 0.204 306 Q C 2.320 178.134 176.000 -0.311 0.000 0.982 306 Q CA 2.344 57.953 55.803 -0.324 0.000 0.850 306 Q CB -0.215 28.457 28.738 -0.111 0.000 0.901 306 Q HN 0.255 nan 8.270 nan 0.000 0.422 307 R N -1.348 119.026 120.500 -0.210 0.000 2.206 307 R HA 0.214 4.557 4.340 0.005 0.000 0.198 307 R C 0.773 176.878 176.300 -0.324 0.000 0.986 307 R CA 0.474 56.468 56.100 -0.177 0.000 1.029 307 R CB 0.500 30.766 30.300 -0.057 0.000 0.966 307 R HN 0.004 nan 8.270 nan 0.000 0.487 308 R N 0.030 120.329 120.500 -0.335 0.000 2.662 308 R HA 0.213 4.555 4.340 0.005 0.000 0.396 308 R C 1.104 177.301 176.300 -0.172 0.000 1.096 308 R CA -0.203 55.587 56.100 -0.516 0.000 1.081 308 R CB 0.525 30.762 30.300 -0.104 0.000 1.382 308 R HN 0.016 nan 8.270 nan 0.000 0.580 309 R N 0.663 120.836 120.500 -0.545 0.000 2.117 309 R HA -0.151 4.191 4.340 0.005 0.000 0.243 309 R C 0.975 177.183 176.300 -0.154 0.000 1.143 309 R CA 1.486 57.121 56.100 -0.775 0.000 0.968 309 R CB 0.005 29.480 30.300 -1.375 0.000 0.863 309 R HN 0.351 nan 8.270 nan 0.000 0.444 310 H N -1.060 118.014 119.070 0.007 0.000 2.539 310 H HA 0.040 4.599 4.556 0.004 0.000 0.267 310 H C 0.561 176.179 175.328 0.484 0.000 0.982 310 H CA 0.615 56.808 56.048 0.242 0.000 1.146 310 H CB 0.209 30.099 29.762 0.214 0.000 1.382 310 H HN 0.541 nan 8.280 nan 0.000 0.577 311 H N -0.723 118.592 119.070 0.408 0.000 2.539 311 H HA 0.097 4.656 4.556 0.004 0.000 0.269 311 H C 1.006 176.565 175.328 0.385 0.000 0.980 311 H CA -0.430 55.851 56.048 0.387 0.000 1.152 311 H CB 0.767 30.722 29.762 0.321 0.000 1.407 311 H HN 0.153 nan 8.280 nan 0.000 0.564 312 M N 1.616 121.527 119.600 0.519 0.000 2.239 312 M HA -0.014 4.469 4.480 0.005 0.000 0.348 312 M C 0.143 176.557 176.300 0.190 0.000 1.239 312 M CA 0.037 55.535 55.300 0.329 0.000 1.114 312 M CB 0.683 33.495 32.600 0.352 0.000 1.641 312 M HN 0.116 nan 8.290 nan 0.000 0.453 313 I N 2.051 122.659 120.570 0.062 0.000 2.681 313 I HA 0.119 4.292 4.170 0.005 0.000 0.247 313 I C 1.144 177.205 176.117 -0.094 0.000 1.091 313 I CA 0.955 62.135 61.300 -0.201 0.000 1.442 313 I CB -0.137 37.489 38.000 -0.624 0.000 1.219 313 I HN 0.718 nan 8.210 nan 0.000 0.451 314 T N -0.267 114.306 114.554 0.032 0.000 2.923 314 T HA 0.689 5.042 4.350 0.005 0.000 0.311 314 T C -0.578 174.276 174.700 0.256 0.000 1.183 314 T CA -0.362 61.833 62.100 0.158 0.000 1.020 314 T CB 1.910 70.887 68.868 0.182 0.000 1.165 314 T HN 0.407 nan 8.240 nan 0.000 0.482 315 G N 1.834 110.833 108.800 0.333 0.000 2.866 315 G HA2 0.766 4.729 3.960 0.005 0.000 0.289 315 G HA3 0.766 4.729 3.960 0.005 0.000 0.289 315 G C -1.707 173.436 174.900 0.405 0.000 1.396 315 G CA -0.741 44.559 45.100 0.332 0.000 0.848 315 G HN 0.745 nan 8.290 nan 0.000 0.515 316 R N -0.213 120.484 120.500 0.329 0.000 2.522 316 R HA 0.494 4.837 4.340 0.005 0.000 0.283 316 R C -1.221 175.125 176.300 0.076 0.000 1.074 316 R CA -0.610 55.546 56.100 0.092 0.000 0.925 316 R CB 1.672 31.951 30.300 -0.034 0.000 1.205 316 R HN 0.501 nan 8.270 nan 0.000 0.436 317 M N 3.233 122.760 119.600 -0.122 0.000 2.268 317 M HA 0.324 4.807 4.480 0.005 0.000 0.344 317 M C -1.137 174.945 176.300 -0.364 0.000 1.106 317 M CA -0.657 54.445 55.300 -0.330 0.000 1.010 317 M CB 1.850 34.102 32.600 -0.580 0.000 1.649 317 M HN 0.378 nan 8.290 nan 0.000 0.443 318 D N 3.478 123.652 120.400 -0.376 0.000 2.308 318 D HA 0.571 5.214 4.640 0.005 0.000 0.242 318 D C -1.063 175.017 176.300 -0.367 0.000 1.059 318 D CA 0.115 53.997 54.000 -0.197 0.000 0.830 318 D CB 1.335 42.125 40.800 -0.016 0.000 1.161 318 D HN 0.219 nan 8.370 nan 0.000 0.494 319 F N 0.044 119.926 119.950 -0.113 0.000 2.631 319 F HA 0.396 4.926 4.527 0.005 0.000 0.328 319 F C 0.136 175.732 175.800 -0.339 0.000 1.067 319 F CA -1.175 56.647 58.000 -0.296 0.000 0.969 319 F CB 1.401 40.264 39.000 -0.228 0.000 1.332 319 F HN 0.215 nan 8.300 nan 0.000 0.490 320 C N 3.661 122.759 119.300 -0.338 0.000 2.281 320 C HA 0.784 5.246 4.460 0.005 0.000 0.325 320 C C -0.535 174.485 174.990 0.049 0.000 1.282 320 C CA -0.581 58.365 59.018 -0.120 0.000 1.640 320 C CB -0.553 27.109 27.740 -0.129 0.000 2.288 320 C HN 0.816 nan 8.230 nan 0.000 0.507 321 M N 7.001 126.662 119.600 0.102 0.000 2.204 321 M HA 0.506 4.989 4.480 0.005 0.000 0.293 321 M C -1.453 174.910 176.300 0.106 0.000 0.994 321 M CA 0.087 55.435 55.300 0.079 0.000 0.925 321 M CB 1.259 33.851 32.600 -0.013 0.000 1.577 321 M HN 0.992 nan 8.290 nan 0.000 0.439 322 D N 2.542 123.027 120.400 0.141 0.000 2.992 322 D HA 0.125 4.768 4.640 0.005 0.000 0.349 322 D C 0.372 176.740 176.300 0.113 0.000 1.393 322 D CA -0.363 53.702 54.000 0.110 0.000 0.887 322 D CB 0.070 40.931 40.800 0.101 0.000 1.447 322 D HN 0.502 nan 8.370 nan 0.000 0.524 323 E N 0.884 121.132 120.200 0.081 0.000 2.187 323 E HA -0.289 4.064 4.350 0.005 0.000 0.199 323 E C 1.304 177.962 176.600 0.096 0.000 1.004 323 E CA 1.424 57.867 56.400 0.071 0.000 0.813 323 E CB -0.587 29.139 29.700 0.043 0.000 0.736 323 E HN 0.679 nan 8.360 nan 0.000 0.468 324 R N 0.941 121.515 120.500 0.123 0.000 2.307 324 R HA 0.280 4.623 4.340 0.005 0.000 0.199 324 R C 1.162 177.667 176.300 0.341 0.000 1.000 324 R CA 0.613 56.819 56.100 0.177 0.000 1.023 324 R CB -0.049 30.274 30.300 0.039 0.000 0.908 324 R HN 0.291 nan 8.270 nan 0.000 0.473 325 G N 0.709 109.689 108.800 0.300 0.000 2.334 325 G HA2 0.099 4.062 3.960 0.005 0.000 0.315 325 G HA3 0.099 4.062 3.960 0.005 0.000 0.315 325 G C -2.215 172.809 174.900 0.208 0.000 1.284 325 G CA -0.828 44.427 45.100 0.258 0.000 0.985 325 G HN 0.059 nan 8.290 nan 0.000 0.504 326 L N 0.210 121.522 121.223 0.148 0.000 2.349 326 L HA 0.893 5.236 4.340 0.005 0.000 0.278 326 L C -0.886 176.027 176.870 0.072 0.000 0.996 326 L CA -0.935 53.956 54.840 0.085 0.000 0.825 326 L CB 1.568 43.654 42.059 0.045 0.000 1.243 326 L HN 0.508 nan 8.230 nan 0.000 0.412 327 K N 4.753 125.103 120.400 -0.084 0.000 2.471 327 K HA 0.539 4.862 4.320 0.005 0.000 0.252 327 K C -1.187 175.296 176.600 -0.195 0.000 0.938 327 K CA -0.642 55.491 56.287 -0.256 0.000 0.796 327 K CB 2.221 34.191 32.500 -0.884 0.000 1.161 327 K HN 0.434 nan 8.250 nan 0.000 0.425 328 V N 1.701 121.542 119.914 -0.122 0.000 2.583 328 V HA 0.256 4.379 4.120 0.005 0.000 0.287 328 V C 0.798 176.731 176.094 -0.268 0.000 1.051 328 V CA -0.176 61.879 62.300 -0.409 0.000 1.010 328 V CB 0.160 31.795 31.823 -0.313 0.000 0.988 328 V HN 0.738 nan 8.190 nan 0.000 0.478 329 Y N 1.516 121.703 120.300 -0.188 0.000 2.500 329 Y HA 0.366 4.918 4.550 0.005 0.000 0.284 329 Y C 1.232 177.100 175.900 -0.053 0.000 1.118 329 Y CA 0.335 58.378 58.100 -0.095 0.000 1.241 329 Y CB 0.923 39.340 38.460 -0.072 0.000 1.171 329 Y HN 0.761 nan 8.280 nan 0.000 0.540 330 E N -1.090 119.159 120.200 0.082 0.000 2.401 330 E HA 0.180 4.532 4.350 0.005 0.000 0.280 330 E C -2.257 174.348 176.600 0.007 0.000 1.039 330 E CA -0.777 55.676 56.400 0.089 0.000 0.814 330 E CB 1.751 31.490 29.700 0.065 0.000 1.275 330 E HN -0.086 nan 8.360 nan 0.000 0.448 331 Y N 3.477 123.660 120.300 -0.195 0.000 2.402 331 Y HA 0.427 4.980 4.550 0.005 0.000 0.325 331 Y C -1.385 174.394 175.900 -0.202 0.000 1.009 331 Y CA -1.561 56.318 58.100 -0.368 0.000 1.278 331 Y CB 0.928 38.791 38.460 -0.994 0.000 1.105 331 Y HN 0.504 nan 8.280 nan 0.000 0.476 332 N N 4.154 122.848 118.700 -0.010 0.000 2.437 332 N HA 0.378 5.121 4.740 0.005 0.000 0.243 332 N C 0.075 175.443 175.510 -0.236 0.000 1.041 332 N CA 0.484 53.473 53.050 -0.102 0.000 0.940 332 N CB 1.442 39.926 38.487 -0.005 0.000 1.133 332 N HN 0.716 nan 8.380 nan 0.000 0.506 333 A N 2.650 125.218 122.820 -0.421 0.000 2.303 333 A HA 0.056 4.378 4.320 0.005 0.000 0.217 333 A C 1.350 178.816 177.584 -0.197 0.000 1.205 333 A CA 0.178 51.952 52.037 -0.439 0.000 0.875 333 A CB 0.107 18.726 19.000 -0.635 0.000 0.910 333 A HN 0.653 nan 8.150 nan 0.000 0.501 334 D N 0.234 120.567 120.400 -0.111 0.000 2.468 334 D HA -0.033 4.610 4.640 0.005 0.000 0.243 334 D C 1.167 177.490 176.300 0.038 0.000 0.994 334 D CA 1.560 55.552 54.000 -0.013 0.000 0.932 334 D CB 0.163 40.977 40.800 0.023 0.000 1.078 334 D HN 0.235 nan 8.370 nan 0.000 0.473 335 S N -0.065 115.653 115.700 0.031 0.000 2.499 335 S HA 0.741 5.214 4.470 0.005 0.000 0.238 335 S C 0.157 174.808 174.600 0.085 0.000 1.205 335 S CA -0.546 57.681 58.200 0.047 0.000 1.203 335 S CB 0.563 63.756 63.200 -0.012 0.000 0.954 335 S HN 0.420 nan 8.310 nan 0.000 0.484 336 A N 1.940 124.862 122.820 0.170 0.000 2.407 336 A HA 0.745 5.068 4.320 0.005 0.000 0.248 336 A C 0.701 178.456 177.584 0.285 0.000 1.082 336 A CA -0.078 52.096 52.037 0.227 0.000 0.785 336 A CB 0.314 19.512 19.000 0.330 0.000 1.020 336 A HN 1.027 nan 8.150 nan 0.000 0.489 337 S N -1.042 114.750 115.700 0.152 0.000 2.911 337 S HA 0.613 5.086 4.470 0.005 0.000 0.319 337 S C 0.347 175.049 174.600 0.170 0.000 1.154 337 S CA 0.057 58.229 58.200 -0.048 0.000 0.857 337 S CB 0.800 63.783 63.200 -0.361 0.000 1.279 337 S HN 1.791 nan 8.310 nan 0.000 0.593 338 C N -0.114 119.243 119.300 0.094 0.000 5.444 338 C HA -0.115 4.347 4.460 0.005 0.000 0.217 338 C C 1.539 176.525 174.990 -0.006 0.000 1.175 338 C CA 1.060 60.152 59.018 0.124 0.000 1.219 338 C CB -3.046 24.817 27.740 0.204 0.000 1.997 338 C HN 1.059 nan 8.230 nan 0.000 0.644 339 H N 0.790 119.702 119.070 -0.264 0.000 2.319 339 H HA -0.113 4.446 4.556 0.005 0.000 0.299 339 H C 1.989 176.753 175.328 -0.940 0.000 1.092 339 H CA 2.420 58.040 56.048 -0.713 0.000 1.302 339 H CB -0.393 29.035 29.762 -0.557 0.000 1.373 339 H HN 0.620 nan 8.280 nan 0.000 0.497 340 T N 0.654 114.757 114.554 -0.750 0.000 2.674 340 T HA -0.152 4.201 4.350 0.005 0.000 0.265 340 T C 1.812 176.301 174.700 -0.352 0.000 1.039 340 T CA 1.696 63.364 62.100 -0.721 0.000 1.150 340 T CB -0.212 68.615 68.868 -0.068 0.000 0.864 340 T HN 0.386 nan 8.240 nan 0.000 0.427 341 E N 1.421 121.515 120.200 -0.176 0.000 2.058 341 E HA -0.032 4.320 4.350 0.005 0.000 0.194 341 E C 2.395 178.926 176.600 -0.116 0.000 0.997 341 E CA 1.311 57.616 56.400 -0.158 0.000 0.801 341 E CB -0.454 29.241 29.700 -0.008 0.000 0.746 341 E HN 0.508 nan 8.360 nan 0.000 0.450 342 A N 0.236 123.006 122.820 -0.084 0.000 1.897 342 A HA 0.048 4.371 4.320 0.005 0.000 0.215 342 A C 2.354 179.918 177.584 -0.033 0.000 1.181 342 A CA 1.482 53.511 52.037 -0.013 0.000 0.620 342 A CB -0.788 18.297 19.000 0.140 0.000 0.821 342 A HN 0.339 nan 8.150 nan 0.000 0.443 343 G N -1.620 107.110 108.800 -0.115 0.000 2.683 343 G HA2 0.263 4.226 3.960 0.005 0.000 0.213 343 G HA3 0.263 4.226 3.960 0.005 0.000 0.213 343 G C 1.166 176.138 174.900 0.120 0.000 1.142 343 G CA 1.157 46.278 45.100 0.035 0.000 0.793 343 G HN 0.477 nan 8.290 nan 0.000 0.534 344 L N -0.686 120.560 121.223 0.038 0.000 2.664 344 L HA 0.434 4.777 4.340 0.005 0.000 0.198 344 L C 2.118 178.993 176.870 0.009 0.000 1.057 344 L CA 0.391 55.275 54.840 0.072 0.000 0.871 344 L CB -0.291 41.847 42.059 0.131 0.000 1.364 344 L HN -0.062 nan 8.230 nan 0.000 0.483 345 I N 0.665 121.163 120.570 -0.120 0.000 2.226 345 I HA -0.244 3.929 4.170 0.005 0.000 0.245 345 I C 2.538 178.737 176.117 0.135 0.000 1.100 345 I CA 1.579 62.811 61.300 -0.112 0.000 1.374 345 I CB -1.204 36.526 38.000 -0.451 0.000 1.057 345 I HN 0.304 nan 8.210 nan 0.000 0.413 346 L N 0.201 121.468 121.223 0.074 0.000 2.201 346 L HA -0.154 4.189 4.340 0.005 0.000 0.212 346 L C 2.609 179.636 176.870 0.262 0.000 1.105 346 L CA 0.880 55.803 54.840 0.137 0.000 0.775 346 L CB -0.408 41.652 42.059 0.001 0.000 0.913 346 L HN 0.223 nan 8.230 nan 0.000 0.440 347 E N 0.082 120.396 120.200 0.190 0.000 2.077 347 E HA -0.159 4.194 4.350 0.005 0.000 0.193 347 E C 2.333 179.069 176.600 0.226 0.000 0.989 347 E CA 0.846 57.358 56.400 0.187 0.000 0.800 347 E CB -0.060 29.720 29.700 0.134 0.000 0.746 347 E HN 0.317 nan 8.360 nan 0.000 0.452 348 R N -0.228 120.434 120.500 0.269 0.000 2.073 348 R HA -0.145 4.198 4.340 0.005 0.000 0.234 348 R C 2.101 178.666 176.300 0.441 0.000 1.134 348 R CA 1.045 57.350 56.100 0.342 0.000 0.952 348 R CB -1.119 29.416 30.300 0.392 0.000 0.850 348 R HN 0.317 nan 8.270 nan 0.000 0.433 349 W N 1.512 122.990 121.300 0.297 0.000 2.335 349 W HA -0.233 4.430 4.660 0.005 0.000 0.311 349 W C 2.200 178.773 176.519 0.090 0.000 1.213 349 W CA 2.406 59.815 57.345 0.106 0.000 1.274 349 W CB -0.290 29.129 29.460 -0.068 0.000 1.148 349 W HN 0.157 nan 8.180 nan 0.000 0.498 350 A N 0.072 123.064 122.820 0.286 0.000 1.898 350 A HA -0.231 4.092 4.320 0.005 0.000 0.216 350 A C 1.855 179.388 177.584 -0.085 0.000 1.181 350 A CA 2.024 54.070 52.037 0.016 0.000 0.620 350 A CB -1.185 17.962 19.000 0.245 0.000 0.819 350 A HN 0.496 nan 8.150 nan 0.000 0.442 351 E N -0.355 119.852 120.200 0.011 0.000 2.038 351 E HA -0.309 4.043 4.350 0.005 0.000 0.195 351 E C 2.123 178.650 176.600 -0.122 0.000 1.000 351 E CA 1.933 58.325 56.400 -0.014 0.000 0.803 351 E CB -0.269 29.460 29.700 0.048 0.000 0.750 351 E HN 0.588 nan 8.360 nan 0.000 0.448 352 Q N -0.951 118.749 119.800 -0.166 0.000 2.297 352 Q HA 0.016 4.359 4.340 0.005 0.000 0.204 352 Q C 1.403 177.021 176.000 -0.636 0.000 0.962 352 Q CA 1.710 57.305 55.803 -0.346 0.000 0.879 352 Q CB 0.137 28.685 28.738 -0.316 0.000 0.947 352 Q HN 0.341 nan 8.270 nan 0.000 0.462 353 G N -1.914 106.486 108.800 -0.666 0.000 3.102 353 G HA2 0.001 3.963 3.960 0.005 0.000 0.204 353 G HA3 0.001 3.963 3.960 0.005 0.000 0.204 353 G C -0.903 173.703 174.900 -0.489 0.000 1.155 353 G CA -0.251 44.441 45.100 -0.680 0.000 0.931 353 G HN 0.246 nan 8.290 nan 0.000 0.691 354 Y N 2.612 122.526 120.300 -0.642 0.000 2.320 354 Y HA 0.495 5.048 4.550 0.005 0.000 0.334 354 Y C 1.039 176.789 175.900 -0.250 0.000 1.055 354 Y CA -1.039 56.772 58.100 -0.483 0.000 1.143 354 Y CB 1.407 39.562 38.460 -0.508 0.000 1.193 354 Y HN 0.057 nan 8.280 nan 0.000 0.477 355 K N 3.391 123.305 120.400 -0.809 0.000 2.501 355 K HA 0.401 4.724 4.320 0.005 0.000 0.204 355 K C 0.407 176.592 176.600 -0.692 0.000 1.067 355 K CA -0.115 55.831 56.287 -0.568 0.000 1.060 355 K CB 0.499 32.811 32.500 -0.313 0.000 0.873 355 K HN 0.735 nan 8.250 nan 0.000 0.540 356 G N 1.233 109.154 108.800 -1.465 0.000 2.535 356 G HA2 0.063 4.026 3.960 0.005 0.000 0.282 356 G HA3 0.063 4.026 3.960 0.005 0.000 0.282 356 G C 0.138 174.918 174.900 -0.200 0.000 1.350 356 G CA -0.611 44.036 45.100 -0.755 0.000 1.039 356 G HN 0.133 nan 8.290 nan 0.000 0.509 357 N N -0.288 118.467 118.700 0.092 0.000 2.353 357 N HA 0.075 4.818 4.740 0.005 0.000 0.185 357 N C 1.175 176.866 175.510 0.301 0.000 1.098 357 N CA 0.347 53.503 53.050 0.177 0.000 0.872 357 N CB 0.450 39.018 38.487 0.136 0.000 0.970 357 N HN 0.488 nan 8.380 nan 0.000 0.467 358 G N 0.339 109.382 108.800 0.404 0.000 2.588 358 G HA2 0.476 4.439 3.960 0.005 0.000 0.281 358 G HA3 0.476 4.439 3.960 0.005 0.000 0.281 358 G C -0.508 174.572 174.900 0.299 0.000 1.236 358 G CA -0.422 44.834 45.100 0.259 0.000 0.969 358 G HN 0.163 nan 8.290 nan 0.000 0.504 359 F N -2.007 118.011 119.950 0.114 0.000 2.620 359 F HA 0.515 5.045 4.527 0.005 0.000 0.320 359 F C -0.395 175.432 175.800 0.045 0.000 1.069 359 F CA -1.732 56.321 58.000 0.088 0.000 0.953 359 F CB 1.639 40.698 39.000 0.099 0.000 1.322 359 F HN 0.498 nan 8.300 nan 0.000 0.479 360 N N 3.449 122.266 118.700 0.194 0.000 2.408 360 N HA 0.209 4.952 4.740 0.005 0.000 0.257 360 N C -1.864 173.811 175.510 0.275 0.000 1.064 360 N CA -1.851 51.265 53.050 0.109 0.000 0.952 360 N CB 1.292 39.853 38.487 0.123 0.000 1.093 360 N HN 0.448 nan 8.380 nan 0.000 0.490 361 P HA -0.092 nan 4.420 nan 0.000 0.231 361 P C 0.310 177.771 177.300 0.269 0.000 1.158 361 P CA 0.790 64.102 63.100 0.354 0.000 0.763 361 P CB 0.174 32.020 31.700 0.243 0.000 0.805 362 A N 0.124 123.056 122.820 0.187 0.000 2.465 362 A HA 0.085 4.408 4.320 0.005 0.000 0.255 362 A C 1.959 179.607 177.584 0.107 0.000 1.274 362 A CA -0.187 51.932 52.037 0.137 0.000 0.920 362 A CB -0.665 18.436 19.000 0.169 0.000 1.033 362 A HN 0.253 nan 8.150 nan 0.000 0.516 363 E N -0.517 119.769 120.200 0.144 0.000 2.204 363 E HA -0.106 4.247 4.350 0.005 0.000 0.195 363 E C 1.354 177.995 176.600 0.069 0.000 0.990 363 E CA 1.210 57.680 56.400 0.117 0.000 0.821 363 E CB -0.341 29.449 29.700 0.150 0.000 0.750 363 E HN 0.343 nan 8.360 nan 0.000 0.477 364 G N 0.768 109.598 108.800 0.049 0.000 3.141 364 G HA2 0.034 3.997 3.960 0.005 0.000 0.218 364 G HA3 0.034 3.997 3.960 0.005 0.000 0.218 364 G C 1.169 176.059 174.900 -0.016 0.000 1.170 364 G CA -0.152 44.949 45.100 0.002 0.000 0.769 364 G HN 0.146 nan 8.290 nan 0.000 0.546 365 L N 0.993 122.219 121.223 0.004 0.000 1.990 365 L HA -0.064 4.279 4.340 0.005 0.000 0.213 365 L C 2.649 179.522 176.870 0.003 0.000 1.072 365 L CA 1.680 56.519 54.840 -0.002 0.000 0.755 365 L CB -0.507 41.544 42.059 -0.014 0.000 0.889 365 L HN 0.284 nan 8.230 nan 0.000 0.432 366 I N -0.331 120.242 120.570 0.004 0.000 2.163 366 I HA -0.334 3.839 4.170 0.005 0.000 0.243 366 I C 2.108 178.149 176.117 -0.128 0.000 1.085 366 I CA 1.401 62.614 61.300 -0.144 0.000 1.347 366 I CB -0.587 37.290 38.000 -0.206 0.000 1.044 366 I HN 0.377 nan 8.210 nan 0.000 0.408 367 N N 0.518 119.165 118.700 -0.089 0.000 2.166 367 N HA -0.160 4.583 4.740 0.005 0.000 0.186 367 N C 1.770 177.228 175.510 -0.087 0.000 1.019 367 N CA 1.045 54.043 53.050 -0.087 0.000 0.856 367 N CB -0.307 38.130 38.487 -0.082 0.000 0.993 367 N HN 0.344 nan 8.380 nan 0.000 0.426 368 E N 1.025 121.172 120.200 -0.089 0.000 2.077 368 E HA -0.070 4.283 4.350 0.005 0.000 0.193 368 E C 2.242 178.787 176.600 -0.092 0.000 0.989 368 E CA 0.401 56.741 56.400 -0.099 0.000 0.800 368 E CB -0.285 29.359 29.700 -0.092 0.000 0.746 368 E HN 0.385 nan 8.360 nan 0.000 0.452 369 L N 0.315 121.482 121.223 -0.093 0.000 2.056 369 L HA -0.150 4.193 4.340 0.005 0.000 0.207 369 L C 2.530 179.371 176.870 -0.048 0.000 1.078 369 L CA 1.094 55.859 54.840 -0.124 0.000 0.749 369 L CB -0.486 41.503 42.059 -0.118 0.000 0.901 369 L HN 0.057 nan 8.230 nan 0.000 0.433 370 A N 0.339 123.148 122.820 -0.019 0.000 1.883 370 A HA -0.168 4.155 4.320 0.005 0.000 0.217 370 A C 2.407 180.021 177.584 0.050 0.000 1.186 370 A CA 1.875 53.934 52.037 0.035 0.000 0.624 370 A CB -1.409 17.568 19.000 -0.038 0.000 0.822 370 A HN 0.443 nan 8.150 nan 0.000 0.444 371 G N -0.530 108.281 108.800 0.018 0.000 2.440 371 G HA2 -0.056 3.907 3.960 0.005 0.000 0.218 371 G HA3 -0.056 3.907 3.960 0.005 0.000 0.218 371 G C 1.769 176.742 174.900 0.123 0.000 1.154 371 G CA 1.706 46.862 45.100 0.093 0.000 0.767 371 G HN 0.863 nan 8.290 nan 0.000 0.552 372 A N 0.095 122.911 122.820 -0.007 0.000 1.902 372 A HA -0.066 4.257 4.320 0.005 0.000 0.217 372 A C 2.229 179.719 177.584 -0.157 0.000 1.181 372 A CA 1.503 53.478 52.037 -0.104 0.000 0.623 372 A CB -0.745 18.083 19.000 -0.287 0.000 0.818 372 A HN 0.562 nan 8.150 nan 0.000 0.443 373 W N -0.133 121.072 121.300 -0.159 0.000 2.381 373 W HA -0.102 4.560 4.660 0.004 0.000 0.301 373 W C 2.425 178.925 176.519 -0.032 0.000 1.205 373 W CA 1.425 58.603 57.345 -0.279 0.000 1.285 373 W CB 0.038 29.250 29.460 -0.414 0.000 1.133 373 W HN 0.295 nan 8.180 nan 0.000 0.521 374 K N -0.391 120.143 120.400 0.225 0.000 2.097 374 K HA -0.187 4.136 4.320 0.005 0.000 0.206 374 K C 1.285 177.750 176.600 -0.226 0.000 1.049 374 K CA 1.342 57.633 56.287 0.007 0.000 0.933 374 K CB -0.358 31.987 32.500 -0.259 0.000 0.717 374 K HN 0.218 nan 8.250 nan 0.000 0.442 375 H N 0.339 119.422 119.070 0.021 0.000 2.524 375 H HA 0.076 4.634 4.556 0.005 0.000 0.280 375 H C 0.698 176.049 175.328 0.038 0.000 1.018 375 H CA 0.363 56.406 56.048 -0.008 0.000 1.165 375 H CB 0.138 29.874 29.762 -0.045 0.000 1.411 375 H HN 0.258 nan 8.280 nan 0.000 0.569 376 S N 0.162 115.925 115.700 0.106 0.000 2.671 376 S HA 0.318 4.790 4.470 0.005 0.000 0.272 376 S C 0.971 175.645 174.600 0.123 0.000 1.174 376 S CA -0.780 57.467 58.200 0.078 0.000 1.004 376 S CB 1.747 64.935 63.200 -0.020 0.000 1.077 376 S HN 0.182 nan 8.310 nan 0.000 0.553 377 R N -0.081 120.489 120.500 0.117 0.000 2.507 377 R HA 0.439 4.782 4.340 0.005 0.000 0.298 377 R C 0.385 176.853 176.300 0.280 0.000 0.999 377 R CA 0.083 56.272 56.100 0.148 0.000 1.082 377 R CB -0.041 30.284 30.300 0.041 0.000 1.246 377 R HN 0.743 nan 8.270 nan 0.000 0.553 378 A N 1.108 124.116 122.820 0.312 0.000 2.483 378 A HA 0.154 4.477 4.320 0.005 0.000 0.238 378 A C 0.108 177.912 177.584 0.366 0.000 1.070 378 A CA 0.011 52.238 52.037 0.317 0.000 0.770 378 A CB 0.285 19.214 19.000 -0.118 0.000 1.008 378 A HN 0.330 nan 8.150 nan 0.000 0.497 379 R N 1.865 122.566 120.500 0.335 0.000 2.615 379 R HA 0.202 4.545 4.340 0.005 0.000 0.270 379 R C -1.668 174.844 176.300 0.354 0.000 1.081 379 R CA -1.300 54.981 56.100 0.301 0.000 1.154 379 R CB 0.063 30.519 30.300 0.260 0.000 1.063 379 R HN 0.482 nan 8.270 nan 0.000 0.519 380 P HA -0.189 nan 4.420 nan 0.000 0.216 380 P C -0.253 177.164 177.300 0.196 0.000 1.150 380 P CA 1.322 64.504 63.100 0.137 0.000 0.843 380 P CB 0.176 31.916 31.700 0.066 0.000 0.787 381 F N -0.344 119.664 119.950 0.096 0.000 2.426 381 F HA 0.421 4.951 4.527 0.005 0.000 0.348 381 F C -0.790 175.022 175.800 0.021 0.000 1.124 381 F CA -1.052 56.964 58.000 0.026 0.000 1.008 381 F CB 1.197 40.186 39.000 -0.018 0.000 1.139 381 F HN -0.466 nan 8.300 nan 0.000 0.452 382 V N 5.616 125.398 119.914 -0.220 0.000 2.409 382 V HA 0.241 4.364 4.120 0.005 0.000 0.291 382 V C -0.685 175.332 176.094 -0.128 0.000 1.020 382 V CA -0.762 61.487 62.300 -0.085 0.000 0.848 382 V CB 1.210 32.847 31.823 -0.309 0.000 0.990 382 V HN 0.637 nan 8.190 nan 0.000 0.430 383 H N 4.276 123.464 119.070 0.196 0.000 2.690 383 H HA 0.473 5.032 4.556 0.004 0.000 0.314 383 H C -0.064 175.328 175.328 0.107 0.000 1.069 383 H CA -0.008 56.149 56.048 0.182 0.000 1.436 383 H CB 0.794 30.668 29.762 0.187 0.000 1.462 383 H HN 0.521 nan 8.280 nan 0.000 0.511 384 I N 4.537 125.200 120.570 0.155 0.000 2.304 384 I HA 0.158 4.331 4.170 0.005 0.000 0.291 384 I C -0.123 176.059 176.117 0.108 0.000 1.018 384 I CA 0.000 61.398 61.300 0.162 0.000 1.260 384 I CB 0.539 38.631 38.000 0.154 0.000 1.390 384 I HN 0.450 nan 8.210 nan 0.000 0.475 385 M N 7.418 127.047 119.600 0.049 0.000 2.101 385 M HA 0.357 4.840 4.480 0.005 0.000 0.340 385 M C -0.569 175.713 176.300 -0.030 0.000 1.057 385 M CA -0.489 54.869 55.300 0.097 0.000 0.984 385 M CB 1.488 34.190 32.600 0.170 0.000 1.560 385 M HN 0.550 nan 8.290 nan 0.000 0.435 386 Q N 0.809 120.523 119.800 -0.144 0.000 2.433 386 Q HA 0.601 4.944 4.340 0.005 0.000 0.279 386 Q C -1.402 174.141 176.000 -0.761 0.000 1.105 386 Q CA -1.134 54.340 55.803 -0.547 0.000 0.815 386 Q CB 2.150 30.689 28.738 -0.333 0.000 1.403 386 Q HN 0.445 nan 8.270 nan 0.000 0.435 387 D N 0.547 120.130 120.400 -1.362 0.000 2.383 387 D HA 0.121 4.764 4.640 0.005 0.000 0.248 387 D C -0.733 175.278 176.300 -0.482 0.000 1.170 387 D CA -0.411 52.870 54.000 -1.200 0.000 0.977 387 D CB 0.984 40.841 40.800 -1.571 0.000 1.120 387 D HN 0.431 nan 8.370 nan 0.000 0.481 388 K N 1.844 122.087 120.400 -0.262 0.000 2.111 388 K HA 0.144 4.467 4.320 0.005 0.000 0.249 388 K C -0.565 175.943 176.600 -0.153 0.000 1.157 388 K CA -0.084 56.115 56.287 -0.147 0.000 1.048 388 K CB 0.037 32.497 32.500 -0.066 0.000 1.498 388 K HN 0.288 nan 8.250 nan 0.000 0.344 389 D N 2.753 123.045 120.400 -0.180 0.000 2.990 389 D HA 0.068 4.711 4.640 0.005 0.000 0.227 389 D C 0.927 177.148 176.300 -0.132 0.000 1.249 389 D CA -0.557 53.347 54.000 -0.159 0.000 0.891 389 D CB 1.222 41.891 40.800 -0.218 0.000 1.647 389 D HN -0.010 nan 8.370 nan 0.000 0.530 390 I N 2.690 123.208 120.570 -0.086 0.000 2.264 390 I HA -0.185 3.988 4.170 0.005 0.000 0.248 390 I C 1.993 178.090 176.117 -0.034 0.000 1.111 390 I CA 1.298 62.571 61.300 -0.044 0.000 1.382 390 I CB -0.807 37.179 38.000 -0.024 0.000 1.060 390 I HN 0.593 nan 8.210 nan 0.000 0.418 391 E N 0.219 120.356 120.200 -0.106 0.000 2.285 391 E HA -0.139 4.214 4.350 0.005 0.000 0.194 391 E C 1.852 178.116 176.600 -0.560 0.000 0.997 391 E CA 0.390 56.620 56.400 -0.282 0.000 0.845 391 E CB 0.041 29.617 29.700 -0.207 0.000 0.782 391 E HN 0.567 nan 8.360 nan 0.000 0.491 392 E N 0.702 120.714 120.200 -0.314 0.000 2.274 392 E HA -0.087 4.266 4.350 0.005 0.000 0.194 392 E C 1.565 178.055 176.600 -0.182 0.000 0.996 392 E CA 0.292 56.533 56.400 -0.266 0.000 0.840 392 E CB -0.021 29.509 29.700 -0.283 0.000 0.772 392 E HN 0.280 nan 8.360 nan 0.000 0.491 393 N N 0.280 118.901 118.700 -0.131 0.000 2.043 393 N HA -0.209 4.533 4.740 0.005 0.000 0.193 393 N C 1.915 177.465 175.510 0.067 0.000 1.037 393 N CA 1.604 54.642 53.050 -0.021 0.000 0.851 393 N CB -0.191 38.313 38.487 0.029 0.000 1.027 393 N HN 0.311 nan 8.380 nan 0.000 0.422 394 Y N -1.067 119.278 120.300 0.074 0.000 2.395 394 Y HA -0.004 4.549 4.550 0.005 0.000 0.293 394 Y C 2.266 178.280 175.900 0.190 0.000 1.123 394 Y CA 0.907 59.082 58.100 0.126 0.000 1.227 394 Y CB -0.971 37.587 38.460 0.162 0.000 1.012 394 Y HN 0.224 nan 8.280 nan 0.000 0.552 395 H N 0.659 119.627 119.070 -0.170 0.000 2.357 395 H HA -0.067 4.491 4.556 0.005 0.000 0.301 395 H C 2.218 177.646 175.328 0.167 0.000 1.082 395 H CA 1.023 57.062 56.048 -0.016 0.000 1.342 395 H CB 0.086 29.764 29.762 -0.140 0.000 1.389 395 H HN 0.497 nan 8.280 nan 0.000 0.511 396 A N 0.998 123.872 122.820 0.090 0.000 1.883 396 A HA -0.221 4.102 4.320 0.005 0.000 0.217 396 A C 2.349 179.949 177.584 0.026 0.000 1.186 396 A CA 1.776 53.895 52.037 0.136 0.000 0.624 396 A CB -0.649 18.394 19.000 0.072 0.000 0.822 396 A HN 0.581 nan 8.150 nan 0.000 0.444 397 Q N -1.916 117.909 119.800 0.042 0.000 2.124 397 Q HA -0.142 4.201 4.340 0.005 0.000 0.202 397 Q C 1.896 177.881 176.000 -0.025 0.000 0.977 397 Q CA 1.512 57.311 55.803 -0.006 0.000 0.850 397 Q CB -0.313 28.454 28.738 0.048 0.000 0.901 397 Q HN 0.753 nan 8.270 nan 0.000 0.429 398 F N 0.999 120.901 119.950 -0.081 0.000 2.069 398 F HA -0.270 4.260 4.527 0.005 0.000 0.298 398 F C 2.231 177.870 175.800 -0.269 0.000 1.113 398 F CA 1.546 59.477 58.000 -0.115 0.000 1.214 398 F CB -0.120 38.873 39.000 -0.010 0.000 0.978 398 F HN 0.045 nan 8.300 nan 0.000 0.474 399 M N 0.932 120.374 119.600 -0.264 0.000 2.159 399 M HA -0.184 4.299 4.480 0.005 0.000 0.263 399 M C 2.162 178.062 176.300 -0.667 0.000 1.063 399 M CA 1.895 56.811 55.300 -0.639 0.000 1.110 399 M CB -0.821 31.037 32.600 -1.236 0.000 1.374 399 M HN 0.414 nan 8.290 nan 0.000 0.411 400 E N -0.840 119.043 120.200 -0.529 0.000 2.110 400 E HA -0.283 4.070 4.350 0.005 0.000 0.193 400 E C 2.074 178.211 176.600 -0.772 0.000 0.988 400 E CA 1.439 57.461 56.400 -0.630 0.000 0.804 400 E CB -0.227 29.175 29.700 -0.497 0.000 0.745 400 E HN 0.726 nan 8.360 nan 0.000 0.458 401 Q N -0.330 119.123 119.800 -0.579 0.000 2.124 401 Q HA -0.172 4.171 4.340 0.005 0.000 0.202 401 Q C 2.010 177.751 176.000 -0.431 0.000 0.977 401 Q CA 1.365 56.883 55.803 -0.475 0.000 0.850 401 Q CB -0.110 28.398 28.738 -0.382 0.000 0.901 401 Q HN 0.375 nan 8.270 nan 0.000 0.429 402 A N 0.320 122.836 122.820 -0.506 0.000 1.929 402 A HA -0.097 4.226 4.320 0.005 0.000 0.216 402 A C 1.985 179.376 177.584 -0.323 0.000 1.176 402 A CA 0.704 52.520 52.037 -0.368 0.000 0.628 402 A CB -0.470 18.332 19.000 -0.329 0.000 0.816 402 A HN 0.394 nan 8.150 nan 0.000 0.444 403 L N -1.371 119.514 121.223 -0.563 0.000 2.046 403 L HA -0.209 4.134 4.340 0.005 0.000 0.208 403 L C 2.550 179.350 176.870 -0.117 0.000 1.077 403 L CA 1.628 56.111 54.840 -0.595 0.000 0.747 403 L CB -0.680 40.846 42.059 -0.889 0.000 0.896 403 L HN 0.543 nan 8.230 nan 0.000 0.432 404 H N -1.232 117.683 119.070 -0.259 0.000 2.319 404 H HA -0.246 4.313 4.556 0.005 0.000 0.299 404 H C 2.272 177.505 175.328 -0.159 0.000 1.092 404 H CA 1.297 57.228 56.048 -0.196 0.000 1.302 404 H CB 0.133 29.778 29.762 -0.196 0.000 1.373 404 H HN 0.381 nan 8.280 nan 0.000 0.497 405 Q N 0.723 120.504 119.800 -0.032 0.000 2.181 405 Q HA -0.122 4.221 4.340 0.005 0.000 0.205 405 Q C 2.033 177.999 176.000 -0.057 0.000 0.980 405 Q CA 1.135 56.900 55.803 -0.064 0.000 0.862 405 Q CB 0.021 28.700 28.738 -0.097 0.000 0.905 405 Q HN 0.444 nan 8.270 nan 0.000 0.429 406 A N -0.886 121.929 122.820 -0.009 0.000 2.251 406 A HA 0.320 4.643 4.320 0.005 0.000 0.209 406 A C 1.337 178.848 177.584 -0.122 0.000 1.187 406 A CA 0.768 52.825 52.037 0.033 0.000 0.823 406 A CB -0.131 19.024 19.000 0.259 0.000 0.846 406 A HN 0.593 nan 8.150 nan 0.000 0.486 407 G N -2.049 106.642 108.800 -0.182 0.000 2.176 407 G HA2 -0.214 3.749 3.960 0.005 0.000 0.232 407 G HA3 -0.214 3.749 3.960 0.005 0.000 0.232 407 G C -0.071 174.499 174.900 -0.550 0.000 0.986 407 G CA -0.016 44.861 45.100 -0.371 0.000 0.643 407 G HN 0.302 nan 8.290 nan 0.000 0.522 408 F N 1.355 121.173 119.950 -0.220 0.000 2.379 408 F HA 0.628 5.158 4.527 0.004 0.000 0.332 408 F C 0.970 176.587 175.800 -0.305 0.000 1.096 408 F CA -0.569 57.269 58.000 -0.270 0.000 1.105 408 F CB 0.914 39.687 39.000 -0.378 0.000 1.189 408 F HN 0.036 nan 8.300 nan 0.000 0.515 409 E N 0.277 120.325 120.200 -0.253 0.000 2.250 409 E HA 0.564 4.917 4.350 0.005 0.000 0.269 409 E C -0.573 175.522 176.600 -0.842 0.000 1.018 409 E CA -0.537 55.570 56.400 -0.487 0.000 0.873 409 E CB 1.736 31.180 29.700 -0.426 0.000 1.134 409 E HN 0.714 nan 8.360 nan 0.000 0.403 410 T N -0.431 113.622 114.554 -0.835 0.000 2.816 410 T HA 0.631 4.983 4.350 0.005 0.000 0.299 410 T C -0.897 173.514 174.700 -0.481 0.000 1.230 410 T CA -1.103 60.527 62.100 -0.783 0.000 1.007 410 T CB 1.835 70.527 68.868 -0.293 0.000 1.289 410 T HN 0.453 nan 8.240 nan 0.000 0.508 411 R N 0.699 121.069 120.500 -0.217 0.000 2.515 411 R HA 0.571 4.914 4.340 0.005 0.000 0.278 411 R C -1.639 174.707 176.300 0.077 0.000 1.107 411 R CA -0.752 55.382 56.100 0.057 0.000 0.945 411 R CB 1.415 31.868 30.300 0.255 0.000 1.219 411 R HN 0.776 nan 8.270 nan 0.000 0.434 412 I N 5.742 126.352 120.570 0.067 0.000 2.331 412 I HA 0.276 4.448 4.170 0.005 0.000 0.292 412 I C -0.200 175.968 176.117 0.086 0.000 0.998 412 I CA -0.655 60.684 61.300 0.065 0.000 1.267 412 I CB 1.321 39.336 38.000 0.024 0.000 1.386 412 I HN 0.382 nan 8.210 nan 0.000 0.476 413 L N 7.299 128.581 121.223 0.099 0.000 2.287 413 L HA 0.526 4.868 4.340 0.005 0.000 0.287 413 L C -0.131 176.774 176.870 0.058 0.000 1.022 413 L CA -0.642 54.250 54.840 0.087 0.000 0.814 413 L CB 1.004 43.125 42.059 0.104 0.000 1.217 413 L HN 0.532 nan 8.230 nan 0.000 0.420 414 R N 2.627 123.149 120.500 0.036 0.000 2.310 414 R HA 0.613 4.956 4.340 0.005 0.000 0.324 414 R C 0.351 176.680 176.300 0.048 0.000 0.955 414 R CA -0.268 55.835 56.100 0.005 0.000 0.830 414 R CB 1.740 32.028 30.300 -0.019 0.000 1.154 414 R HN 0.883 nan 8.270 nan 0.000 0.458 415 G N 1.574 110.446 108.800 0.119 0.000 2.752 415 G HA2 -0.296 3.666 3.960 0.005 0.000 0.234 415 G HA3 -0.296 3.666 3.960 0.005 0.000 0.234 415 G C 0.080 175.077 174.900 0.162 0.000 1.367 415 G CA -0.594 44.641 45.100 0.223 0.000 0.879 415 G HN 0.525 nan 8.290 nan 0.000 0.563 416 L N 0.359 121.625 121.223 0.073 0.000 2.640 416 L HA 0.252 4.595 4.340 0.005 0.000 0.230 416 L C 1.912 178.730 176.870 -0.086 0.000 1.123 416 L CA 0.343 55.156 54.840 -0.046 0.000 0.900 416 L CB 0.310 42.291 42.059 -0.129 0.000 1.146 416 L HN 0.520 nan 8.230 nan 0.000 0.484 417 D N 0.736 121.108 120.400 -0.047 0.000 2.144 417 D HA -0.233 4.410 4.640 0.005 0.000 0.199 417 D C 1.902 178.157 176.300 -0.075 0.000 0.984 417 D CA 1.363 55.327 54.000 -0.060 0.000 0.834 417 D CB 0.172 40.954 40.800 -0.030 0.000 0.955 417 D HN 0.569 nan 8.370 nan 0.000 0.465 418 E N 0.265 120.427 120.200 -0.064 0.000 2.427 418 E HA -0.049 4.304 4.350 0.005 0.000 0.196 418 E C 0.500 177.029 176.600 -0.118 0.000 1.028 418 E CA -0.016 56.344 56.400 -0.067 0.000 0.864 418 E CB -0.075 29.606 29.700 -0.032 0.000 0.813 418 E HN 0.188 nan 8.360 nan 0.000 0.514 419 L N 1.415 122.535 121.223 -0.172 0.000 2.416 419 L HA 0.379 4.722 4.340 0.005 0.000 0.272 419 L C 0.639 177.286 176.870 -0.372 0.000 1.161 419 L CA 0.321 54.996 54.840 -0.275 0.000 0.845 419 L CB 1.179 43.042 42.059 -0.327 0.000 1.119 419 L HN 0.227 nan 8.230 nan 0.000 0.464 420 G N 2.085 110.642 108.800 -0.406 0.000 2.827 420 G HA2 0.493 4.456 3.960 0.005 0.000 0.296 420 G HA3 0.493 4.456 3.960 0.005 0.000 0.296 420 G C -2.180 172.473 174.900 -0.413 0.000 1.362 420 G CA -0.503 44.342 45.100 -0.426 0.000 0.809 420 G HN 0.413 nan 8.290 nan 0.000 0.522 421 W N 1.146 122.434 121.300 -0.021 0.000 2.702 421 W HA 0.371 5.034 4.660 0.005 0.000 0.331 421 W C -0.509 176.003 176.519 -0.012 0.000 1.049 421 W CA -0.519 56.816 57.345 -0.017 0.000 1.230 421 W CB 2.004 31.459 29.460 -0.007 0.000 1.408 421 W HN 0.796 nan 8.180 nan 0.000 0.492 422 D N 0.250 120.777 120.400 0.211 0.000 2.440 422 D HA 0.327 4.970 4.640 0.005 0.000 0.269 422 D C 1.259 177.621 176.300 0.103 0.000 1.249 422 D CA -0.317 53.753 54.000 0.117 0.000 1.055 422 D CB 0.019 40.861 40.800 0.070 0.000 1.104 422 D HN 0.252 nan 8.370 nan 0.000 0.561 423 A N -0.531 122.326 122.820 0.062 0.000 1.978 423 A HA 0.067 4.389 4.320 0.005 0.000 0.220 423 A C 2.048 179.649 177.584 0.028 0.000 1.170 423 A CA 2.053 54.114 52.037 0.040 0.000 0.636 423 A CB -1.214 17.802 19.000 0.027 0.000 0.810 423 A HN 0.695 nan 8.150 nan 0.000 0.448 424 A N -1.550 121.291 122.820 0.035 0.000 2.302 424 A HA 0.429 4.752 4.320 0.005 0.000 0.219 424 A C 1.666 179.263 177.584 0.022 0.000 1.243 424 A CA 1.019 53.071 52.037 0.024 0.000 0.856 424 A CB -1.146 17.870 19.000 0.027 0.000 0.893 424 A HN 1.861 nan 8.150 nan 0.000 0.491 425 G N -1.042 107.779 108.800 0.034 0.000 2.179 425 G HA2 -0.230 3.733 3.960 0.005 0.000 0.257 425 G HA3 -0.230 3.733 3.960 0.005 0.000 0.257 425 G C -0.005 174.965 174.900 0.118 0.000 1.010 425 G CA 0.356 45.453 45.100 -0.006 0.000 0.736 425 G HN 0.507 nan 8.290 nan 0.000 0.513 426 Q N -0.634 119.270 119.800 0.172 0.000 2.230 426 Q HA 0.606 4.949 4.340 0.005 0.000 0.253 426 Q C 0.843 176.988 176.000 0.241 0.000 0.919 426 Q CA -0.607 55.306 55.803 0.182 0.000 0.908 426 Q CB 1.524 30.320 28.738 0.097 0.000 1.245 426 Q HN 0.416 nan 8.270 nan 0.000 0.437 427 L N 3.442 124.776 121.223 0.184 0.000 2.416 427 L HA 0.357 4.700 4.340 0.005 0.000 0.272 427 L C 0.487 177.307 176.870 -0.083 0.000 1.161 427 L CA 0.067 54.903 54.840 -0.007 0.000 0.845 427 L CB 0.126 42.130 42.059 -0.090 0.000 1.119 427 L HN 0.507 nan 8.230 nan 0.000 0.464 428 I N -1.558 118.919 120.570 -0.155 0.000 2.969 428 I HA 0.582 4.755 4.170 0.005 0.000 0.307 428 I C -1.105 174.894 176.117 -0.196 0.000 1.149 428 I CA -1.092 60.120 61.300 -0.146 0.000 1.008 428 I CB 2.149 40.105 38.000 -0.073 0.000 1.232 428 I HN 0.491 nan 8.210 nan 0.000 0.435 429 D N 2.797 123.090 120.400 -0.178 0.000 2.506 429 D HA 0.282 4.925 4.640 0.005 0.000 0.272 429 D C 1.347 177.605 176.300 -0.069 0.000 1.214 429 D CA -0.204 53.717 54.000 -0.131 0.000 1.067 429 D CB 0.739 41.516 40.800 -0.038 0.000 1.117 429 D HN 0.769 nan 8.370 nan 0.000 0.578 430 G N -1.144 107.634 108.800 -0.036 0.000 2.501 430 G HA2 -0.267 3.696 3.960 0.005 0.000 0.220 430 G HA3 -0.267 3.696 3.960 0.005 0.000 0.220 430 G C 1.165 176.055 174.900 -0.016 0.000 1.114 430 G CA 0.634 45.719 45.100 -0.025 0.000 0.757 430 G HN 0.533 nan 8.290 nan 0.000 0.559 431 E N -0.722 119.471 120.200 -0.012 0.000 2.463 431 E HA 0.347 4.700 4.350 0.005 0.000 0.193 431 E C 1.669 178.252 176.600 -0.029 0.000 1.041 431 E CA 0.481 56.872 56.400 -0.015 0.000 0.879 431 E CB -0.100 29.593 29.700 -0.012 0.000 0.997 431 E HN 0.294 nan 8.360 nan 0.000 0.478 432 G N 1.436 110.214 108.800 -0.036 0.000 2.155 432 G HA2 -0.385 3.578 3.960 0.005 0.000 0.257 432 G HA3 -0.385 3.578 3.960 0.005 0.000 0.257 432 G C 0.323 175.190 174.900 -0.054 0.000 0.983 432 G CA 0.490 45.568 45.100 -0.038 0.000 0.676 432 G HN 0.301 nan 8.290 nan 0.000 0.528 433 R N 0.072 120.527 120.500 -0.075 0.000 2.357 433 R HA 0.571 4.914 4.340 0.005 0.000 0.296 433 R C 0.806 177.050 176.300 -0.093 0.000 1.052 433 R CA -0.837 55.198 56.100 -0.108 0.000 0.988 433 R CB 0.223 30.398 30.300 -0.208 0.000 1.025 433 R HN 0.219 nan 8.270 nan 0.000 0.469 434 L N 4.023 125.205 121.223 -0.068 0.000 2.490 434 L HA 0.055 4.397 4.340 0.005 0.000 0.274 434 L C -0.249 176.594 176.870 -0.045 0.000 1.201 434 L CA -0.152 54.661 54.840 -0.045 0.000 0.869 434 L CB 1.038 43.094 42.059 -0.004 0.000 1.123 434 L HN 0.402 nan 8.230 nan 0.000 0.484 435 V N 4.192 124.034 119.914 -0.120 0.000 2.334 435 V HA 0.124 4.247 4.120 0.005 0.000 0.267 435 V C 0.738 176.844 176.094 0.019 0.000 1.040 435 V CA -0.169 62.023 62.300 -0.180 0.000 0.866 435 V CB 0.694 32.295 31.823 -0.370 0.000 1.019 435 V HN 0.978 nan 8.190 nan 0.000 0.468 436 N N 2.078 120.865 118.700 0.146 0.000 2.143 436 N HA 0.191 4.934 4.740 0.005 0.000 0.229 436 N C -0.186 175.449 175.510 0.209 0.000 1.294 436 N CA -0.418 52.723 53.050 0.151 0.000 0.883 436 N CB 1.045 39.613 38.487 0.135 0.000 1.148 436 N HN 0.513 nan 8.380 nan 0.000 0.511 437 C N 1.380 120.845 119.300 0.275 0.000 2.832 437 C HA 0.555 5.018 4.460 0.005 0.000 0.383 437 C C -1.358 173.830 174.990 0.330 0.000 1.046 437 C CA -0.212 58.996 59.018 0.316 0.000 1.242 437 C CB 0.813 28.752 27.740 0.332 0.000 1.693 437 C HN 0.123 nan 8.230 nan 0.000 0.497 438 V N 5.416 125.525 119.914 0.323 0.000 2.656 438 V HA 0.622 4.745 4.120 0.005 0.000 0.307 438 V C -0.875 175.449 176.094 0.384 0.000 1.051 438 V CA -0.394 62.073 62.300 0.278 0.000 0.893 438 V CB 2.018 33.919 31.823 0.130 0.000 0.999 438 V HN 0.871 nan 8.190 nan 0.000 0.426 439 W N 6.565 127.962 121.300 0.160 0.000 2.417 439 W HA 0.673 5.336 4.660 0.004 0.000 0.315 439 W C -0.232 176.340 176.519 0.088 0.000 1.045 439 W CA -1.019 56.436 57.345 0.184 0.000 1.221 439 W CB 1.245 30.742 29.460 0.060 0.000 1.309 439 W HN 0.604 nan 8.180 nan 0.000 0.453 440 K N 2.553 122.431 120.400 -0.870 0.000 2.208 440 K HA 0.585 4.908 4.320 0.005 0.000 0.247 440 K C 0.412 176.299 176.600 -1.189 0.000 0.953 440 K CA -0.344 55.486 56.287 -0.761 0.000 0.837 440 K CB 2.051 34.328 32.500 -0.371 0.000 1.131 440 K HN 0.437 nan 8.250 nan 0.000 0.431 441 T N -2.555 111.503 114.554 -0.826 0.000 3.037 441 T HA 0.100 4.453 4.350 0.005 0.000 0.251 441 T C -0.041 174.459 174.700 -0.332 0.000 1.079 441 T CA -0.505 61.246 62.100 -0.582 0.000 1.067 441 T CB -0.291 68.348 68.868 -0.383 0.000 0.948 441 T HN 0.557 nan 8.240 nan 0.000 0.496 442 W N 2.394 123.466 121.300 -0.380 0.000 2.193 442 W HA 0.572 5.235 4.660 0.005 0.000 0.338 442 W C 0.742 177.062 176.519 -0.333 0.000 1.310 442 W CA -0.712 56.446 57.345 -0.313 0.000 1.243 442 W CB 0.351 29.610 29.460 -0.336 0.000 1.165 442 W HN 0.243 nan 8.180 nan 0.000 0.566 443 A N 3.547 126.382 122.820 0.025 0.000 2.388 443 A HA 0.147 4.470 4.320 0.005 0.000 0.257 443 A C 0.310 177.803 177.584 -0.151 0.000 1.095 443 A CA -0.532 51.464 52.037 -0.068 0.000 0.791 443 A CB 0.215 19.192 19.000 -0.039 0.000 1.029 443 A HN 0.949 nan 8.150 nan 0.000 0.489 444 W N 0.335 121.459 121.300 -0.293 0.000 2.331 444 W HA -0.177 4.485 4.660 0.004 0.000 0.291 444 W C 2.014 177.989 176.519 -0.907 0.000 1.214 444 W CA 1.725 58.753 57.345 -0.529 0.000 1.228 444 W CB 0.184 29.269 29.460 -0.624 0.000 1.135 444 W HN 0.930 nan 8.180 nan 0.000 0.537 445 E N -0.550 119.324 120.200 -0.543 0.000 2.209 445 E HA -0.200 4.152 4.350 0.005 0.000 0.196 445 E C 1.791 178.321 176.600 -0.117 0.000 0.993 445 E CA 1.643 57.784 56.400 -0.432 0.000 0.819 445 E CB -0.060 29.557 29.700 -0.139 0.000 0.745 445 E HN 0.155 nan 8.360 nan 0.000 0.477 446 T N 0.119 114.616 114.554 -0.094 0.000 2.788 446 T HA -0.109 4.244 4.350 0.005 0.000 0.268 446 T C 1.761 176.425 174.700 -0.060 0.000 1.044 446 T CA 1.132 63.212 62.100 -0.034 0.000 1.139 446 T CB -0.111 68.768 68.868 0.018 0.000 0.867 446 T HN 0.288 nan 8.240 nan 0.000 0.454 447 A N 0.653 123.423 122.820 -0.083 0.000 1.930 447 A HA 0.156 4.479 4.320 0.005 0.000 0.215 447 A C 2.037 179.761 177.584 0.234 0.000 1.176 447 A CA 0.727 52.768 52.037 0.006 0.000 0.632 447 A CB -0.883 18.135 19.000 0.029 0.000 0.819 447 A HN 0.556 nan 8.150 nan 0.000 0.445 448 F N 0.382 120.391 119.950 0.097 0.000 2.126 448 F HA -0.250 4.280 4.527 0.004 0.000 0.299 448 F C 2.075 177.899 175.800 0.040 0.000 1.096 448 F CA 0.838 58.891 58.000 0.088 0.000 1.255 448 F CB -0.276 38.789 39.000 0.107 0.000 0.997 448 F HN 0.220 nan 8.300 nan 0.000 0.479 449 D N 0.165 120.708 120.400 0.238 0.000 2.182 449 D HA -0.190 4.453 4.640 0.005 0.000 0.201 449 D C 1.975 178.317 176.300 0.070 0.000 0.986 449 D CA 1.107 55.181 54.000 0.125 0.000 0.847 449 D CB -0.456 40.393 40.800 0.081 0.000 0.942 449 D HN 0.414 nan 8.370 nan 0.000 0.467 450 Q N -0.511 119.322 119.800 0.054 0.000 2.436 450 Q HA -0.018 4.325 4.340 0.005 0.000 0.209 450 Q C 1.081 177.084 176.000 0.004 0.000 0.965 450 Q CA 0.582 56.392 55.803 0.011 0.000 0.910 450 Q CB 0.169 28.894 28.738 -0.022 0.000 0.980 450 Q HN 0.461 nan 8.270 nan 0.000 0.491 451 I N -5.003 115.579 120.570 0.019 0.000 3.994 451 I HA 0.233 4.406 4.170 0.005 0.000 0.323 451 I C 1.296 177.397 176.117 -0.027 0.000 1.501 451 I CA -0.373 60.913 61.300 -0.023 0.000 1.112 451 I CB 0.215 38.192 38.000 -0.039 0.000 1.254 451 I HN -0.209 nan 8.210 nan 0.000 0.495 452 R N 1.631 122.134 120.500 0.005 0.000 2.139 452 R HA -0.095 4.248 4.340 0.005 0.000 0.243 452 R C 1.146 177.435 176.300 -0.018 0.000 1.145 452 R CA 1.572 57.672 56.100 0.001 0.000 0.976 452 R CB 0.135 30.454 30.300 0.032 0.000 0.866 452 R HN 0.370 nan 8.270 nan 0.000 0.449 453 E N -0.094 120.096 120.200 -0.017 0.000 2.489 453 E HA 0.031 4.384 4.350 0.005 0.000 0.193 453 E C -0.353 176.240 176.600 -0.012 0.000 1.057 453 E CA 0.123 56.517 56.400 -0.011 0.000 0.866 453 E CB 0.522 30.222 29.700 -0.000 0.000 0.916 453 E HN 0.051 nan 8.360 nan 0.000 0.500 454 V N 2.116 122.002 119.914 -0.046 0.000 2.405 454 V HA 0.055 4.177 4.120 0.005 0.000 0.264 454 V C 0.599 176.698 176.094 0.008 0.000 1.048 454 V CA -0.329 61.940 62.300 -0.053 0.000 0.966 454 V CB 0.968 32.679 31.823 -0.186 0.000 1.015 454 V HN 0.026 nan 8.190 nan 0.000 0.477 455 S N 3.409 119.172 115.700 0.105 0.000 2.528 455 S HA 0.071 4.543 4.470 0.005 0.000 0.277 455 S C 1.136 175.778 174.600 0.070 0.000 1.297 455 S CA -0.480 57.754 58.200 0.056 0.000 1.052 455 S CB 0.601 63.834 63.200 0.054 0.000 0.917 455 S HN 0.914 nan 8.310 nan 0.000 0.492 456 D N 4.467 124.844 120.400 -0.038 0.000 2.363 456 D HA -0.011 4.632 4.640 0.005 0.000 0.226 456 D C 1.208 177.484 176.300 -0.041 0.000 1.020 456 D CA 0.349 54.321 54.000 -0.047 0.000 0.892 456 D CB 0.005 40.715 40.800 -0.149 0.000 0.900 456 D HN 0.582 nan 8.370 nan 0.000 0.531 457 R N -0.118 120.358 120.500 -0.039 0.000 2.206 457 R HA 0.096 4.439 4.340 0.005 0.000 0.198 457 R C 2.003 178.260 176.300 -0.071 0.000 0.986 457 R CA 0.515 56.583 56.100 -0.053 0.000 1.029 457 R CB 0.301 30.567 30.300 -0.057 0.000 0.966 457 R HN 0.283 nan 8.270 nan 0.000 0.487 458 E N -0.117 120.040 120.200 -0.071 0.000 2.127 458 E HA 0.042 4.394 4.350 0.005 0.000 0.191 458 E C -0.491 175.867 176.600 -0.405 0.000 0.964 458 E CA 0.330 56.588 56.400 -0.236 0.000 0.832 458 E CB 0.359 29.903 29.700 -0.259 0.000 0.790 458 E HN -0.030 nan 8.360 nan 0.000 0.465 459 F N -0.210 119.714 119.950 -0.044 0.000 2.443 459 F HA 0.442 4.971 4.527 0.004 0.000 0.335 459 F C 0.938 176.715 175.800 -0.040 0.000 1.104 459 F CA -0.393 57.584 58.000 -0.038 0.000 1.013 459 F CB 1.835 40.813 39.000 -0.037 0.000 1.136 459 F HN -0.012 nan 8.300 nan 0.000 0.470 460 A N 2.540 125.442 122.820 0.137 0.000 2.067 460 A HA 0.480 4.803 4.320 0.005 0.000 0.219 460 A C 0.854 178.486 177.584 0.079 0.000 1.158 460 A CA 1.394 53.475 52.037 0.074 0.000 0.661 460 A CB -0.339 18.689 19.000 0.047 0.000 0.801 460 A HN 0.884 nan 8.150 nan 0.000 0.452 461 A N -2.541 120.347 122.820 0.113 0.000 2.540 461 A HA 0.510 4.833 4.320 0.005 0.000 0.291 461 A C -0.847 176.755 177.584 0.029 0.000 1.083 461 A CA -0.339 51.733 52.037 0.058 0.000 0.650 461 A CB 0.018 19.046 19.000 0.047 0.000 1.292 461 A HN 0.472 nan 8.150 nan 0.000 0.435 462 V N 2.582 122.489 119.914 -0.013 0.000 2.485 462 V HA 0.243 4.366 4.120 0.005 0.000 0.287 462 V C -1.597 174.441 176.094 -0.093 0.000 1.022 462 V CA -0.232 62.024 62.300 -0.073 0.000 1.067 462 V CB 0.517 32.316 31.823 -0.040 0.000 0.967 462 V HN 0.655 nan 8.190 nan 0.000 0.479 463 P HA 0.157 nan 4.420 nan 0.000 0.231 463 P C 0.138 177.360 177.300 -0.129 0.000 1.756 463 P CA -0.068 62.914 63.100 -0.198 0.000 0.990 463 P CB -0.339 31.084 31.700 -0.461 0.000 1.973 464 I N -1.746 118.786 120.570 -0.063 0.000 2.779 464 I HA 0.274 4.447 4.170 0.005 0.000 0.285 464 I C 0.374 176.474 176.117 -0.029 0.000 1.134 464 I CA -0.947 60.341 61.300 -0.019 0.000 1.398 464 I CB 0.591 38.609 38.000 0.030 0.000 1.404 464 I HN -0.069 nan 8.210 nan 0.000 0.587 465 R N 2.529 123.031 120.500 0.003 0.000 2.539 465 R HA 0.314 4.657 4.340 0.005 0.000 0.275 465 R C 0.453 176.587 176.300 -0.275 0.000 1.077 465 R CA 0.156 56.189 56.100 -0.111 0.000 1.097 465 R CB 0.655 30.964 30.300 0.015 0.000 1.018 465 R HN 0.866 nan 8.270 nan 0.000 0.483 466 T N -2.021 112.115 114.554 -0.697 0.000 3.337 466 T HA 0.390 4.743 4.350 0.005 0.000 0.299 466 T C 0.214 173.987 174.700 -1.546 0.000 0.998 466 T CA -0.202 61.294 62.100 -1.006 0.000 0.948 466 T CB 0.714 69.324 68.868 -0.430 0.000 1.170 466 T HN 0.785 nan 8.240 nan 0.000 0.508 467 G N 0.066 107.745 108.800 -1.869 0.000 2.377 467 G HA2 0.472 4.435 3.960 0.005 0.000 0.297 467 G HA3 0.472 4.435 3.960 0.005 0.000 0.297 467 G C -2.308 172.287 174.900 -0.508 0.000 1.547 467 G CA -0.732 43.715 45.100 -1.089 0.000 0.833 467 G HN 0.569 nan 8.290 nan 0.000 0.583 468 H N 1.266 120.268 119.070 -0.114 0.000 3.121 468 H HA 0.303 4.862 4.556 0.004 0.000 0.337 468 H C -2.208 173.177 175.328 0.095 0.000 1.198 468 H CA -0.766 55.315 56.048 0.055 0.000 1.274 468 H CB 2.481 32.402 29.762 0.264 0.000 1.954 468 H HN 0.255 nan 8.280 nan 0.000 0.531 469 P HA -0.209 nan 4.420 nan 0.000 0.219 469 P C 0.260 177.590 177.300 0.051 0.000 1.161 469 P CA 1.757 64.743 63.100 -0.189 0.000 0.909 469 P CB 0.327 31.823 31.700 -0.340 0.000 0.793 470 Q N -1.847 118.113 119.800 0.267 0.000 2.211 470 Q HA 0.221 4.564 4.340 0.005 0.000 0.231 470 Q C -0.388 175.777 176.000 0.275 0.000 0.865 470 Q CA -0.138 55.817 55.803 0.252 0.000 0.997 470 Q CB -1.239 27.627 28.738 0.214 0.000 1.101 470 Q HN 0.239 nan 8.270 nan 0.000 0.468 471 N N 1.408 120.326 118.700 0.363 0.000 2.714 471 N HA -0.213 4.530 4.740 0.005 0.000 0.252 471 N C -1.177 174.399 175.510 0.110 0.000 1.014 471 N CA 0.115 53.361 53.050 0.326 0.000 0.735 471 N CB -0.094 38.496 38.487 0.172 0.000 0.924 471 N HN 0.394 nan 8.380 nan 0.000 0.540 472 E N 0.756 121.007 120.200 0.084 0.000 2.044 472 E HA 0.195 4.548 4.350 0.005 0.000 0.282 472 E C -0.341 176.101 176.600 -0.264 0.000 1.031 472 E CA -0.420 55.844 56.400 -0.226 0.000 0.824 472 E CB 1.244 30.652 29.700 -0.487 0.000 1.076 472 E HN 0.043 nan 8.360 nan 0.000 0.395 473 V N 4.420 124.091 119.914 -0.406 0.000 2.465 473 V HA 0.262 4.385 4.120 0.005 0.000 0.279 473 V C 0.508 176.446 176.094 -0.260 0.000 1.045 473 V CA -0.465 61.550 62.300 -0.474 0.000 0.938 473 V CB 1.117 32.495 31.823 -0.743 0.000 0.986 473 V HN 0.581 nan 8.190 nan 0.000 0.467 474 R N 2.243 122.651 120.500 -0.154 0.000 2.573 474 R HA 0.364 4.707 4.340 0.005 0.000 0.272 474 R C 1.034 177.195 176.300 -0.232 0.000 1.009 474 R CA -0.859 55.135 56.100 -0.176 0.000 1.059 474 R CB 0.901 31.134 30.300 -0.113 0.000 1.112 474 R HN 0.624 nan 8.270 nan 0.000 0.517 475 L N 2.233 123.246 121.223 -0.349 0.000 2.043 475 L HA -0.172 4.170 4.340 0.005 0.000 0.212 475 L C 1.859 178.549 176.870 -0.300 0.000 1.075 475 L CA 1.788 56.339 54.840 -0.482 0.000 0.752 475 L CB -0.463 41.119 42.059 -0.794 0.000 0.891 475 L HN 0.777 nan 8.230 nan 0.000 0.432 476 I N -0.382 120.079 120.570 -0.183 0.000 2.454 476 I HA -0.252 3.920 4.170 0.005 0.000 0.254 476 I C 1.713 177.826 176.117 -0.007 0.000 1.156 476 I CA 1.492 62.761 61.300 -0.052 0.000 1.433 476 I CB -0.476 37.528 38.000 0.007 0.000 1.082 476 I HN 0.354 nan 8.210 nan 0.000 0.432 477 D N -0.228 120.166 120.400 -0.010 0.000 2.310 477 D HA -0.094 4.549 4.640 0.005 0.000 0.212 477 D C 2.183 178.521 176.300 0.063 0.000 0.965 477 D CA 1.079 55.128 54.000 0.082 0.000 0.879 477 D CB 0.182 41.109 40.800 0.212 0.000 0.921 477 D HN 0.336 nan 8.370 nan 0.000 0.510 478 V N 0.849 120.737 119.914 -0.043 0.000 2.391 478 V HA -0.072 4.051 4.120 0.005 0.000 0.237 478 V C 2.634 178.712 176.094 -0.027 0.000 1.046 478 V CA 0.378 62.643 62.300 -0.058 0.000 1.053 478 V CB -0.432 31.302 31.823 -0.148 0.000 0.704 478 V HN 0.088 nan 8.190 nan 0.000 0.475 479 L N -0.335 120.833 121.223 -0.091 0.000 2.129 479 L HA -0.197 4.146 4.340 0.005 0.000 0.212 479 L C 2.153 179.140 176.870 0.194 0.000 1.087 479 L CA 1.367 56.171 54.840 -0.060 0.000 0.757 479 L CB -0.473 41.367 42.059 -0.366 0.000 0.896 479 L HN 0.322 nan 8.230 nan 0.000 0.434 480 L N -0.484 120.850 121.223 0.185 0.000 2.611 480 L HA 0.132 4.475 4.340 0.005 0.000 0.229 480 L C 0.883 177.832 176.870 0.132 0.000 1.137 480 L CA 0.186 55.144 54.840 0.197 0.000 0.901 480 L CB -0.345 41.815 42.059 0.167 0.000 1.098 480 L HN 0.002 nan 8.230 nan 0.000 0.456 481 R N 0.144 120.713 120.500 0.116 0.000 2.347 481 R HA 0.195 4.537 4.340 0.005 0.000 0.304 481 R C -1.629 174.731 176.300 0.101 0.000 1.072 481 R CA -1.746 54.416 56.100 0.103 0.000 0.980 481 R CB 0.556 30.918 30.300 0.104 0.000 0.986 481 R HN -0.090 nan 8.270 nan 0.000 0.448 482 P HA -0.135 nan 4.420 nan 0.000 0.218 482 P C -0.079 177.274 177.300 0.089 0.000 1.148 482 P CA 1.202 64.353 63.100 0.086 0.000 0.822 482 P CB 0.324 32.066 31.700 0.071 0.000 0.784 483 E N -1.305 118.947 120.200 0.087 0.000 2.427 483 E HA -0.000 4.353 4.350 0.005 0.000 0.196 483 E C 0.254 176.914 176.600 0.100 0.000 1.028 483 E CA 0.288 56.742 56.400 0.089 0.000 0.864 483 E CB -0.348 29.401 29.700 0.081 0.000 0.813 483 E HN 0.075 nan 8.360 nan 0.000 0.514 484 V N 2.052 122.026 119.914 0.101 0.000 2.406 484 V HA 0.145 4.268 4.120 0.005 0.000 0.272 484 V C -0.355 175.810 176.094 0.119 0.000 1.043 484 V CA -0.765 61.600 62.300 0.108 0.000 0.915 484 V CB 1.097 32.971 31.823 0.084 0.000 0.988 484 V HN 0.106 nan 8.190 nan 0.000 0.466 485 L N 7.692 128.999 121.223 0.140 0.000 2.259 485 L HA 0.501 4.844 4.340 0.005 0.000 0.288 485 L C -0.227 176.689 176.870 0.078 0.000 1.051 485 L CA 0.410 55.313 54.840 0.104 0.000 0.824 485 L CB 1.114 43.270 42.059 0.161 0.000 1.206 485 L HN 0.448 nan 8.230 nan 0.000 0.429 486 V N 5.948 125.854 119.914 -0.014 0.000 2.481 486 V HA 0.459 4.582 4.120 0.005 0.000 0.286 486 V C -0.363 175.632 176.094 -0.164 0.000 1.042 486 V CA -0.293 62.022 62.300 0.025 0.000 0.928 486 V CB 1.173 33.066 31.823 0.118 0.000 0.986 486 V HN 0.500 nan 8.190 nan 0.000 0.462 487 F N 1.978 122.071 119.950 0.238 0.000 2.507 487 F HA 0.519 5.049 4.527 0.004 0.000 0.325 487 F C 0.509 176.398 175.800 0.149 0.000 1.116 487 F CA -0.870 57.306 58.000 0.293 0.000 0.930 487 F CB 1.499 40.792 39.000 0.488 0.000 1.146 487 F HN 0.384 nan 8.300 nan 0.000 0.447 488 E N 2.915 123.282 120.200 0.278 0.000 2.373 488 E HA 0.245 4.598 4.350 0.005 0.000 0.263 488 E C -2.412 174.343 176.600 0.258 0.000 1.073 488 E CA -1.906 54.659 56.400 0.275 0.000 0.894 488 E CB 0.323 30.104 29.700 0.135 0.000 1.008 488 E HN 0.210 nan 8.360 nan 0.000 0.420 489 P HA -0.066 nan 4.420 nan 0.000 0.268 489 P C 0.974 178.178 177.300 -0.161 0.000 1.208 489 P CA -0.226 62.870 63.100 -0.007 0.000 0.777 489 P CB 0.465 32.129 31.700 -0.061 0.000 0.875 490 L N 3.950 124.996 121.223 -0.295 0.000 2.081 490 L HA -0.149 4.194 4.340 0.005 0.000 0.212 490 L C 1.841 178.388 176.870 -0.538 0.000 1.080 490 L CA 1.699 55.923 54.840 -1.027 0.000 0.754 490 L CB -1.538 39.998 42.059 -0.871 0.000 0.893 490 L HN 0.594 nan 8.230 nan 0.000 0.433 491 W N -0.482 120.719 121.300 -0.165 0.000 2.421 491 W HA -0.161 4.501 4.660 0.004 0.000 0.270 491 W C 1.737 178.211 176.519 -0.075 0.000 1.233 491 W CA 1.174 58.468 57.345 -0.085 0.000 1.226 491 W CB -1.938 27.599 29.460 0.130 0.000 1.121 491 W HN 0.465 nan 8.180 nan 0.000 0.579 492 T N -0.961 113.091 114.554 -0.836 0.000 3.139 492 T HA -0.099 4.254 4.350 0.005 0.000 0.267 492 T C 1.641 176.184 174.700 -0.262 0.000 1.164 492 T CA 0.956 62.599 62.100 -0.763 0.000 1.075 492 T CB -0.410 67.975 68.868 -0.805 0.000 0.904 492 T HN 0.054 nan 8.240 nan 0.000 0.540 493 V N 0.699 120.525 119.914 -0.147 0.000 2.871 493 V HA 0.006 4.129 4.120 0.005 0.000 0.256 493 V C 2.268 178.407 176.094 0.077 0.000 1.082 493 V CA 0.674 62.967 62.300 -0.011 0.000 1.105 493 V CB -0.422 31.426 31.823 0.041 0.000 0.713 493 V HN 0.474 nan 8.190 nan 0.000 0.473 494 I N 0.700 121.302 120.570 0.054 0.000 2.202 494 I HA -0.067 4.106 4.170 0.005 0.000 0.242 494 I C 0.091 176.334 176.117 0.211 0.000 1.091 494 I CA 1.449 62.796 61.300 0.079 0.000 1.368 494 I CB -2.709 35.180 38.000 -0.185 0.000 1.058 494 I HN 0.326 nan 8.210 nan 0.000 0.410 495 P HA -0.101 nan 4.420 nan 0.000 0.216 495 P C 1.568 178.964 177.300 0.160 0.000 1.150 495 P CA 1.534 64.748 63.100 0.191 0.000 0.837 495 P CB -0.177 31.477 31.700 -0.076 0.000 0.786 496 G N -1.629 107.201 108.800 0.049 0.000 2.813 496 G HA2 -0.116 3.847 3.960 0.005 0.000 0.209 496 G HA3 -0.116 3.847 3.960 0.005 0.000 0.209 496 G C 0.695 175.652 174.900 0.095 0.000 1.150 496 G CA -0.042 45.087 45.100 0.048 0.000 0.785 496 G HN 0.244 nan 8.290 nan 0.000 0.535 497 N N 0.746 119.538 118.700 0.153 0.000 2.458 497 N HA 0.123 4.866 4.740 0.005 0.000 0.270 497 N C 1.185 176.702 175.510 0.013 0.000 1.102 497 N CA -0.174 52.919 53.050 0.072 0.000 0.967 497 N CB 1.022 39.573 38.487 0.107 0.000 1.078 497 N HN 0.034 nan 8.380 nan 0.000 0.471 498 K N 2.498 122.873 120.400 -0.042 0.000 2.160 498 K HA -0.167 4.156 4.320 0.005 0.000 0.206 498 K C 1.486 178.026 176.600 -0.101 0.000 1.047 498 K CA 1.574 57.829 56.287 -0.053 0.000 0.930 498 K CB -0.045 32.410 32.500 -0.074 0.000 0.720 498 K HN 0.648 nan 8.250 nan 0.000 0.450 499 A N 1.055 123.739 122.820 -0.227 0.000 2.178 499 A HA -0.130 4.193 4.320 0.005 0.000 0.218 499 A C 1.906 179.454 177.584 -0.060 0.000 1.157 499 A CA 0.927 52.828 52.037 -0.226 0.000 0.689 499 A CB -0.483 18.117 19.000 -0.666 0.000 0.787 499 A HN 0.363 nan 8.150 nan 0.000 0.465 500 I N -0.817 119.781 120.570 0.047 0.000 3.059 500 I HA -0.067 4.105 4.170 0.005 0.000 0.270 500 I C 1.802 177.966 176.117 0.077 0.000 1.238 500 I CA 0.383 61.837 61.300 0.257 0.000 1.478 500 I CB -0.002 38.221 38.000 0.371 0.000 1.097 500 I HN 0.320 nan 8.210 nan 0.000 0.455 501 L N 1.473 122.693 121.223 -0.006 0.000 2.042 501 L HA -0.148 4.195 4.340 0.005 0.000 0.210 501 L C -0.477 176.346 176.870 -0.079 0.000 1.076 501 L CA 1.554 56.362 54.840 -0.053 0.000 0.749 501 L CB -2.209 39.808 42.059 -0.069 0.000 0.893 501 L HN 0.218 nan 8.230 nan 0.000 0.432 502 P HA -0.115 nan 4.420 nan 0.000 0.221 502 P C 1.710 178.994 177.300 -0.026 0.000 1.150 502 P CA 1.004 63.944 63.100 -0.266 0.000 0.800 502 P CB 0.093 31.226 31.700 -0.946 0.000 0.787 503 I N -1.393 119.195 120.570 0.029 0.000 2.286 503 I HA -0.131 4.042 4.170 0.005 0.000 0.245 503 I C 2.136 178.287 176.117 0.057 0.000 1.104 503 I CA 0.995 62.347 61.300 0.086 0.000 1.397 503 I CB -1.691 36.386 38.000 0.128 0.000 1.072 503 I HN -0.016 nan 8.210 nan 0.000 0.417 504 L N 0.748 122.004 121.223 0.055 0.000 1.989 504 L HA -0.227 4.116 4.340 0.005 0.000 0.211 504 L C 2.480 179.444 176.870 0.156 0.000 1.071 504 L CA 1.917 56.799 54.840 0.069 0.000 0.749 504 L CB -1.069 40.931 42.059 -0.099 0.000 0.890 504 L HN 0.406 nan 8.230 nan 0.000 0.431 505 W N 0.175 121.442 121.300 -0.054 0.000 2.335 505 W HA -0.311 4.352 4.660 0.005 0.000 0.311 505 W C 2.602 179.081 176.519 -0.068 0.000 1.213 505 W CA 2.439 59.748 57.345 -0.060 0.000 1.274 505 W CB -0.451 28.948 29.460 -0.102 0.000 1.148 505 W HN 0.522 nan 8.180 nan 0.000 0.498 506 S N 0.486 116.173 115.700 -0.022 0.000 2.442 506 S HA -0.206 4.266 4.470 0.005 0.000 0.236 506 S C 1.887 176.325 174.600 -0.269 0.000 1.007 506 S CA 1.429 59.541 58.200 -0.146 0.000 0.965 506 S CB -0.901 62.290 63.200 -0.015 0.000 0.773 506 S HN 0.380 nan 8.310 nan 0.000 0.504 507 L N -1.212 119.829 121.223 -0.302 0.000 2.307 507 L HA 0.316 4.659 4.340 0.005 0.000 0.211 507 L C 0.074 176.340 176.870 -1.007 0.000 1.099 507 L CA 0.590 55.055 54.840 -0.625 0.000 0.816 507 L CB -0.016 41.635 42.059 -0.679 0.000 0.952 507 L HN 0.282 nan 8.230 nan 0.000 0.455 508 F N 0.106 119.899 119.950 -0.261 0.000 2.646 508 F HA 0.316 4.845 4.527 0.005 0.000 0.336 508 F C -2.271 173.223 175.800 -0.509 0.000 1.437 508 F CA -2.369 55.475 58.000 -0.260 0.000 1.142 508 F CB 0.133 39.034 39.000 -0.164 0.000 1.530 508 F HN -0.193 nan 8.300 nan 0.000 0.591 509 P HA -0.011 nan 4.420 nan 0.000 0.265 509 P C -0.259 176.470 177.300 -0.953 0.000 1.193 509 P CA 0.687 63.001 63.100 -1.310 0.000 0.765 509 P CB 0.341 31.516 31.700 -0.874 0.000 0.823 510 H N -2.436 115.997 119.070 -1.061 0.000 2.921 510 H HA -0.218 4.341 4.556 0.005 0.000 0.281 510 H C 0.858 176.139 175.328 -0.079 0.000 1.165 510 H CA 0.780 56.720 56.048 -0.181 0.000 1.151 510 H CB -2.444 27.285 29.762 -0.054 0.000 1.311 510 H HN 0.605 nan 8.280 nan 0.000 0.361 511 H N 1.918 120.907 119.070 -0.135 0.000 2.815 511 H HA 0.067 4.626 4.556 0.005 0.000 0.350 511 H C 1.578 176.879 175.328 -0.045 0.000 1.080 511 H CA 0.797 56.802 56.048 -0.071 0.000 1.433 511 H CB 0.678 30.402 29.762 -0.063 0.000 1.432 511 H HN 0.646 nan 8.280 nan 0.000 0.592 512 R N 3.231 123.529 120.500 -0.337 0.000 2.200 512 R HA -0.154 4.189 4.340 0.005 0.000 0.234 512 R C 0.312 176.559 176.300 -0.089 0.000 1.127 512 R CA 1.528 57.484 56.100 -0.240 0.000 0.989 512 R CB -0.235 29.769 30.300 -0.493 0.000 0.869 512 R HN 0.445 nan 8.270 nan 0.000 0.459 513 Y N 0.922 121.429 120.300 0.344 0.000 2.462 513 Y HA 0.369 4.921 4.550 0.005 0.000 0.261 513 Y C 0.812 176.736 175.900 0.040 0.000 1.146 513 Y CA -0.554 57.633 58.100 0.145 0.000 1.283 513 Y CB 0.320 38.864 38.460 0.141 0.000 1.090 513 Y HN -0.085 nan 8.280 nan 0.000 0.526 514 L N 0.366 121.733 121.223 0.241 0.000 2.358 514 L HA 0.479 4.822 4.340 0.005 0.000 0.268 514 L C -0.468 176.468 176.870 0.110 0.000 1.032 514 L CA -0.889 54.065 54.840 0.189 0.000 0.805 514 L CB 1.516 43.784 42.059 0.348 0.000 1.253 514 L HN -0.160 nan 8.230 nan 0.000 0.452 515 L N 0.710 121.925 121.223 -0.013 0.000 2.329 515 L HA 0.311 4.654 4.340 0.005 0.000 0.279 515 L C -0.476 176.080 176.870 -0.522 0.000 1.014 515 L CA -0.782 53.943 54.840 -0.192 0.000 0.814 515 L CB 1.855 43.832 42.059 -0.137 0.000 1.257 515 L HN 0.527 nan 8.230 nan 0.000 0.424 516 D N 2.256 122.093 120.400 -0.939 0.000 2.434 516 D HA 0.116 4.759 4.640 0.005 0.000 0.252 516 D C -0.828 174.911 176.300 -0.934 0.000 1.185 516 D CA 0.557 53.489 54.000 -1.781 0.000 0.886 516 D CB 0.706 40.856 40.800 -1.083 0.000 1.148 516 D HN 0.464 nan 8.370 nan 0.000 0.483 517 T N 3.503 117.488 114.554 -0.948 0.000 2.952 517 T HA 0.469 4.822 4.350 0.005 0.000 0.305 517 T C -0.997 173.499 174.700 -0.340 0.000 1.064 517 T CA -0.916 60.928 62.100 -0.427 0.000 1.008 517 T CB 1.947 70.652 68.868 -0.272 0.000 1.078 517 T HN 0.378 nan 8.240 nan 0.000 0.459 518 D N -0.357 119.914 120.400 -0.215 0.000 2.626 518 D HA 0.473 5.116 4.640 0.005 0.000 0.278 518 D C -0.298 175.929 176.300 -0.122 0.000 1.211 518 D CA -0.991 52.911 54.000 -0.162 0.000 0.903 518 D CB 1.279 42.077 40.800 -0.004 0.000 1.408 518 D HN 0.393 nan 8.370 nan 0.000 0.454 519 F N -0.320 119.720 119.950 0.149 0.000 2.569 519 F HA 0.107 4.637 4.527 0.005 0.000 0.295 519 F C 1.393 177.386 175.800 0.321 0.000 1.115 519 F CA 0.455 58.556 58.000 0.169 0.000 1.450 519 F CB 0.461 39.520 39.000 0.098 0.000 1.107 519 F HN 0.209 nan 8.300 nan 0.000 0.563 520 T N -1.800 112.975 114.554 0.370 0.000 2.940 520 T HA 0.575 4.928 4.350 0.005 0.000 0.288 520 T C -0.471 174.198 174.700 -0.053 0.000 1.033 520 T CA -0.840 61.358 62.100 0.163 0.000 1.033 520 T CB 2.046 70.980 68.868 0.109 0.000 1.079 520 T HN -0.273 nan 8.240 nan 0.000 0.496 521 V N 3.686 123.381 119.914 -0.365 0.000 2.408 521 V HA 0.232 4.355 4.120 0.005 0.000 0.267 521 V C 0.681 176.672 176.094 -0.172 0.000 1.047 521 V CA -0.889 61.168 62.300 -0.405 0.000 0.937 521 V CB -0.222 31.256 31.823 -0.576 0.000 0.999 521 V HN 0.800 nan 8.190 nan 0.000 0.472 531 A N 1.164 123.942 122.820 -0.071 0.000 2.425 531 A HA 0.682 5.005 4.320 0.005 0.000 0.242 531 A C -0.341 177.205 177.584 -0.063 0.000 1.077 531 A CA -0.113 51.840 52.037 -0.141 0.000 0.781 531 A CB 0.608 19.547 19.000 -0.101 0.000 1.020 531 A HN 0.717 nan 8.150 nan 0.000 0.494 532 V N 2.828 122.676 119.914 -0.110 0.000 2.409 532 V HA 0.368 4.491 4.120 0.005 0.000 0.291 532 V C -0.018 175.959 176.094 -0.195 0.000 1.020 532 V CA -0.548 61.652 62.300 -0.167 0.000 0.848 532 V CB 1.253 33.029 31.823 -0.078 0.000 0.990 532 V HN 0.886 nan 8.190 nan 0.000 0.430 533 K N 6.427 126.682 120.400 -0.242 0.000 2.270 533 K HA 0.577 4.900 4.320 0.005 0.000 0.255 533 K C -2.603 173.890 176.600 -0.179 0.000 0.936 533 K CA -1.656 54.523 56.287 -0.179 0.000 0.809 533 K CB 2.775 35.184 32.500 -0.151 0.000 1.131 533 K HN 0.418 nan 8.250 nan 0.000 0.427 565 N N 1.631 120.320 118.700 -0.019 0.000 2.455 565 N HA 0.634 5.377 4.740 0.005 0.000 0.278 565 N C -1.284 174.102 175.510 -0.207 0.000 1.291 565 N CA -0.993 51.944 53.050 -0.189 0.000 0.780 565 N CB 2.039 40.251 38.487 -0.459 0.000 1.520 565 N HN 0.468 nan 8.380 nan 0.000 0.486 566 I N -1.846 118.520 120.570 -0.339 0.000 2.474 566 I HA 0.583 4.756 4.170 0.005 0.000 0.294 566 I C -1.451 174.371 176.117 -0.492 0.000 1.005 566 I CA -0.743 60.376 61.300 -0.302 0.000 1.113 566 I CB 1.124 38.987 38.000 -0.229 0.000 1.289 566 I HN 0.419 nan 8.210 nan 0.000 0.436 567 Y N 3.973 124.235 120.300 -0.063 0.000 2.341 567 Y HA 0.565 5.118 4.550 0.005 0.000 0.338 567 Y C -0.046 175.795 175.900 -0.099 0.000 0.965 567 Y CA -0.491 57.586 58.100 -0.039 0.000 1.108 567 Y CB 1.680 40.151 38.460 0.018 0.000 1.180 567 Y HN 0.640 nan 8.280 nan 0.000 0.458 568 Q N 3.174 122.995 119.800 0.034 0.000 2.397 568 Q HA 0.367 4.710 4.340 0.005 0.000 0.275 568 Q C -1.244 174.767 176.000 0.018 0.000 1.090 568 Q CA -1.172 54.605 55.803 -0.043 0.000 0.809 568 Q CB 1.965 30.665 28.738 -0.064 0.000 1.362 568 Q HN 0.784 nan 8.270 nan 0.000 0.431 569 Q N 1.921 121.712 119.800 -0.013 0.000 2.361 569 Q HA 0.135 4.478 4.340 0.005 0.000 0.276 569 Q C -0.495 175.602 176.000 0.162 0.000 1.022 569 Q CA -0.444 55.409 55.803 0.082 0.000 0.898 569 Q CB 0.475 29.262 28.738 0.082 0.000 1.246 569 Q HN 0.565 nan 8.270 nan 0.000 0.410 570 L N 3.656 124.979 121.223 0.166 0.000 2.490 570 L HA 0.143 4.486 4.340 0.005 0.000 0.274 570 L C -1.127 175.916 176.870 0.287 0.000 1.201 570 L CA 0.944 55.878 54.840 0.156 0.000 0.869 570 L CB 0.088 42.203 42.059 0.094 0.000 1.123 570 L HN 0.818 nan 8.230 nan 0.000 0.484 571 W N 6.753 128.105 121.300 0.088 0.000 2.275 571 W HA 0.198 4.861 4.660 0.005 0.000 0.285 571 W C -1.601 175.043 176.519 0.208 0.000 1.057 571 W CA -1.119 56.311 57.345 0.143 0.000 0.978 571 W CB 0.698 30.256 29.460 0.162 0.000 0.807 571 W HN 0.491 nan 8.180 nan 0.000 0.254 572 C N 4.091 123.547 119.300 0.259 0.000 2.466 572 C HA 0.495 4.958 4.460 0.005 0.000 0.379 572 C C 1.239 176.430 174.990 0.336 0.000 1.251 572 C CA -0.329 58.837 59.018 0.247 0.000 2.263 572 C CB 0.370 28.175 27.740 0.110 0.000 2.511 572 C HN 0.400 nan 8.230 nan 0.000 0.573 573 L N 4.928 126.372 121.223 0.369 0.000 2.456 573 L HA 0.220 4.562 4.340 0.005 0.000 0.272 573 L C -1.593 175.485 176.870 0.347 0.000 1.189 573 L CA -0.812 54.264 54.840 0.393 0.000 0.846 573 L CB 0.203 42.492 42.059 0.383 0.000 1.111 573 L HN 0.482 nan 8.230 nan 0.000 0.475 574 P HA 0.106 nan 4.420 nan 0.000 0.275 574 P C -1.250 176.015 177.300 -0.059 0.000 1.228 574 P CA -0.540 62.610 63.100 0.082 0.000 0.786 574 P CB 1.064 32.800 31.700 0.061 0.000 0.927 575 K N 1.699 121.954 120.400 -0.241 0.000 2.183 575 K HA 0.349 4.672 4.320 0.005 0.000 0.274 575 K C 0.049 176.544 176.600 -0.175 0.000 1.009 575 K CA -0.623 55.379 56.287 -0.475 0.000 0.888 575 K CB 1.016 33.126 32.500 -0.650 0.000 1.078 575 K HN 0.129 nan 8.250 nan 0.000 0.459 576 V N 2.178 122.049 119.914 -0.070 0.000 3.050 576 V HA 0.077 4.200 4.120 0.005 0.000 0.223 576 V C -0.205 175.951 176.094 0.102 0.000 1.162 576 V CA 0.471 62.821 62.300 0.083 0.000 1.247 576 V CB 0.368 32.341 31.823 0.249 0.000 1.125 576 V HN 0.769 nan 8.190 nan 0.000 0.508 577 D N -0.019 120.486 120.400 0.175 0.000 2.863 577 D HA 0.497 5.140 4.640 0.005 0.000 0.323 577 D C 0.863 177.137 176.300 -0.043 0.000 1.286 577 D CA 0.879 54.892 54.000 0.022 0.000 0.921 577 D CB 0.362 41.138 40.800 -0.041 0.000 1.024 577 D HN 0.559 nan 8.370 nan 0.000 0.505 578 G N 0.981 109.752 108.800 -0.048 0.000 2.213 578 G HA2 -0.241 3.721 3.960 0.005 0.000 0.236 578 G HA3 -0.241 3.721 3.960 0.005 0.000 0.236 578 G C 0.432 175.295 174.900 -0.062 0.000 0.991 578 G CA -0.196 44.866 45.100 -0.062 0.000 0.629 578 G HN 0.358 nan 8.290 nan 0.000 0.517 579 K N -0.492 119.878 120.400 -0.050 0.000 2.385 579 K HA 0.578 4.901 4.320 0.005 0.000 0.248 579 K C -1.130 175.374 176.600 -0.160 0.000 0.955 579 K CA -0.987 55.280 56.287 -0.034 0.000 0.816 579 K CB 1.738 34.272 32.500 0.057 0.000 1.250 579 K HN 0.061 nan 8.250 nan 0.000 0.434 580 Y N 1.551 121.857 120.300 0.011 0.000 2.359 580 Y HA 0.188 4.741 4.550 0.005 0.000 0.334 580 Y C 0.419 176.304 175.900 -0.025 0.000 1.058 580 Y CA -0.341 57.764 58.100 0.008 0.000 1.244 580 Y CB 0.571 39.040 38.460 0.015 0.000 1.187 580 Y HN 0.180 nan 8.280 nan 0.000 0.510 581 I N 3.915 124.509 120.570 0.040 0.000 2.433 581 I HA 0.271 4.444 4.170 0.005 0.000 0.292 581 I C -0.392 175.741 176.117 0.027 0.000 1.001 581 I CA -0.904 60.356 61.300 -0.066 0.000 1.119 581 I CB 1.741 39.566 38.000 -0.292 0.000 1.289 581 I HN 0.600 nan 8.210 nan 0.000 0.438 582 Q N 4.537 124.353 119.800 0.026 0.000 2.282 582 Q HA 0.578 4.921 4.340 0.005 0.000 0.260 582 Q C -1.507 174.511 176.000 0.030 0.000 0.964 582 Q CA -0.588 55.267 55.803 0.088 0.000 0.880 582 Q CB 2.456 31.257 28.738 0.105 0.000 1.286 582 Q HN 0.477 nan 8.270 nan 0.000 0.445 583 V N 3.193 123.147 119.914 0.067 0.000 2.427 583 V HA 0.451 4.573 4.120 0.005 0.000 0.286 583 V C -0.593 175.571 176.094 0.116 0.000 1.034 583 V CA -0.598 61.726 62.300 0.041 0.000 0.893 583 V CB 1.377 33.209 31.823 0.014 0.000 0.982 583 V HN 0.880 nan 8.190 nan 0.000 0.452 584 C N 3.249 122.554 119.300 0.008 0.000 2.482 584 C HA 0.763 5.225 4.460 0.005 0.000 0.317 584 C C 0.405 175.271 174.990 -0.206 0.000 1.197 584 C CA -0.788 58.187 59.018 -0.072 0.000 1.432 584 C CB 1.321 28.924 27.740 -0.228 0.000 2.062 584 C HN 0.960 nan 8.230 nan 0.000 0.471 585 T N -0.558 113.929 114.554 -0.112 0.000 2.888 585 T HA 0.755 5.108 4.350 0.005 0.000 0.284 585 T C -0.789 173.648 174.700 -0.438 0.000 1.017 585 T CA -0.376 61.607 62.100 -0.195 0.000 1.022 585 T CB 0.768 69.734 68.868 0.164 0.000 1.013 585 T HN 0.370 nan 8.240 nan 0.000 0.465 586 F N 2.065 121.949 119.950 -0.110 0.000 2.404 586 F HA 0.465 4.994 4.527 0.005 0.000 0.345 586 F C 1.466 177.227 175.800 -0.064 0.000 1.110 586 F CA -0.697 57.241 58.000 -0.104 0.000 1.130 586 F CB 1.469 40.361 39.000 -0.180 0.000 1.129 586 F HN 0.785 nan 8.300 nan 0.000 0.500 587 T N 0.102 114.779 114.554 0.206 0.000 2.875 587 T HA 0.718 5.071 4.350 0.005 0.000 0.284 587 T C -0.739 174.045 174.700 0.140 0.000 0.995 587 T CA -0.777 61.408 62.100 0.141 0.000 1.060 587 T CB 1.546 70.507 68.868 0.156 0.000 0.967 587 T HN 0.346 nan 8.240 nan 0.000 0.476 588 V N 2.678 122.621 119.914 0.049 0.000 2.488 588 V HA 0.632 4.755 4.120 0.005 0.000 0.293 588 V C 0.994 177.071 176.094 -0.028 0.000 1.027 588 V CA -0.117 62.186 62.300 0.006 0.000 0.862 588 V CB 0.790 32.599 31.823 -0.023 0.000 1.008 588 V HN 1.449 nan 8.190 nan 0.000 0.428 589 G N 3.655 112.439 108.800 -0.028 0.000 2.249 589 G HA2 0.036 3.999 3.960 0.005 0.000 0.273 589 G HA3 0.036 3.999 3.960 0.005 0.000 0.273 589 G C 1.224 176.113 174.900 -0.018 0.000 1.036 589 G CA 0.899 46.005 45.100 0.009 0.000 0.824 589 G HN 2.307 nan 8.290 nan 0.000 0.504 590 G N -1.691 106.991 108.800 -0.196 0.000 2.199 590 G HA2 -0.304 3.659 3.960 0.005 0.000 0.254 590 G HA3 -0.304 3.659 3.960 0.005 0.000 0.254 590 G C 0.303 175.071 174.900 -0.220 0.000 0.982 590 G CA 0.724 45.451 45.100 -0.622 0.000 0.632 590 G HN 1.093 nan 8.290 nan 0.000 0.529 591 N N -0.652 118.021 118.700 -0.045 0.000 2.485 591 N HA 0.485 5.228 4.740 0.005 0.000 0.280 591 N C -0.388 175.186 175.510 0.105 0.000 1.205 591 N CA -0.641 52.446 53.050 0.063 0.000 0.959 591 N CB 0.796 39.324 38.487 0.068 0.000 1.206 591 N HN 0.212 nan 8.380 nan 0.000 0.545 592 Y N -0.065 120.254 120.300 0.033 0.000 2.526 592 Y HA 0.303 4.856 4.550 0.005 0.000 0.330 592 Y C 1.205 177.142 175.900 0.061 0.000 1.156 592 Y CA 0.302 58.432 58.100 0.049 0.000 1.419 592 Y CB 0.422 38.907 38.460 0.042 0.000 1.250 592 Y HN 0.645 nan 8.280 nan 0.000 0.540 593 G N 2.778 111.307 108.800 -0.452 0.000 3.228 593 G HA2 0.485 4.448 3.960 0.005 0.000 0.245 593 G HA3 0.485 4.448 3.960 0.005 0.000 0.245 593 G C 0.124 174.733 174.900 -0.486 0.000 1.051 593 G CA 0.178 45.076 45.100 -0.336 0.000 0.809 593 G HN 1.305 nan 8.290 nan 0.000 0.531 594 G N -1.203 106.870 108.800 -1.212 0.000 2.351 594 G HA2 0.386 4.349 3.960 0.005 0.000 0.353 594 G HA3 0.386 4.349 3.960 0.005 0.000 0.353 594 G C -1.077 173.679 174.900 -0.239 0.000 1.358 594 G CA -0.341 44.435 45.100 -0.539 0.000 0.995 594 G HN 0.475 nan 8.290 nan 0.000 0.611 595 T N -0.388 114.204 114.554 0.063 0.000 2.893 595 T HA 0.779 5.132 4.350 0.005 0.000 0.291 595 T C 0.040 174.758 174.700 0.030 0.000 1.028 595 T CA 0.203 62.324 62.100 0.036 0.000 0.995 595 T CB 1.234 70.176 68.868 0.124 0.000 1.051 595 T HN 1.955 nan 8.240 nan 0.000 0.470 596 C N 1.448 120.709 119.300 -0.065 0.000 3.291 596 C HA 0.882 5.345 4.460 0.005 0.000 0.316 596 C C -1.474 173.475 174.990 -0.068 0.000 1.391 596 C CA -1.147 57.855 59.018 -0.026 0.000 1.394 596 C CB -0.029 27.741 27.740 0.049 0.000 1.744 596 C HN 0.873 nan 8.230 nan 0.000 0.461 597 L N 1.195 122.378 121.223 -0.066 0.000 2.342 597 L HA 0.731 5.073 4.340 0.005 0.000 0.271 597 L C -0.032 176.793 176.870 -0.074 0.000 1.008 597 L CA -0.599 54.186 54.840 -0.092 0.000 0.818 597 L CB 1.730 43.700 42.059 -0.150 0.000 1.296 597 L HN 0.777 nan 8.230 nan 0.000 0.427 598 R N 0.904 121.364 120.500 -0.066 0.000 2.621 598 R HA 0.729 5.072 4.340 0.005 0.000 0.292 598 R C -0.612 175.664 176.300 -0.039 0.000 0.969 598 R CA -0.742 55.337 56.100 -0.036 0.000 0.887 598 R CB 2.424 32.716 30.300 -0.013 0.000 1.180 598 R HN 0.798 nan 8.270 nan 0.000 0.450 599 G N 0.849 109.637 108.800 -0.020 0.000 2.612 599 G HA2 0.511 4.474 3.960 0.005 0.000 0.298 599 G HA3 0.511 4.474 3.960 0.005 0.000 0.298 599 G C -1.732 173.194 174.900 0.043 0.000 1.336 599 G CA -0.246 44.854 45.100 0.000 0.000 0.953 599 G HN 0.524 nan 8.290 nan 0.000 0.482 600 D N -1.207 119.245 120.400 0.086 0.000 2.609 600 D HA 0.302 4.944 4.640 0.005 0.000 0.239 600 D C 0.815 177.213 176.300 0.162 0.000 1.229 600 D CA -0.561 53.495 54.000 0.092 0.000 0.808 600 D CB 2.232 43.067 40.800 0.059 0.000 1.448 600 D HN 0.315 nan 8.370 nan 0.000 0.433 601 E N -0.167 120.107 120.200 0.123 0.000 2.152 601 E HA -0.016 4.337 4.350 0.005 0.000 0.192 601 E C 0.374 177.102 176.600 0.213 0.000 0.983 601 E CA 0.406 56.900 56.400 0.157 0.000 0.818 601 E CB 0.215 29.965 29.700 0.085 0.000 0.758 601 E HN 0.210 nan 8.360 nan 0.000 0.467 602 S N -0.278 115.474 115.700 0.086 0.000 2.617 602 S HA 0.110 4.583 4.470 0.005 0.000 0.269 602 S C 1.005 175.440 174.600 -0.277 0.000 1.292 602 S CA -0.533 57.633 58.200 -0.056 0.000 1.010 602 S CB 0.801 63.963 63.200 -0.064 0.000 0.944 602 S HN 0.070 nan 8.310 nan 0.000 0.536 603 L N 3.155 124.019 121.223 -0.599 0.000 2.275 603 L HA 0.106 4.449 4.340 0.005 0.000 0.215 603 L C 0.147 176.781 176.870 -0.394 0.000 1.119 603 L CA 0.455 54.738 54.840 -0.928 0.000 0.790 603 L CB -0.325 41.276 42.059 -0.763 0.000 0.919 603 L HN 0.391 nan 8.230 nan 0.000 0.443 604 V N 1.185 120.951 119.914 -0.247 0.000 2.347 604 V HA 0.261 4.384 4.120 0.005 0.000 0.280 604 V C 0.354 176.387 176.094 -0.101 0.000 1.021 604 V CA -0.873 61.327 62.300 -0.168 0.000 0.847 604 V CB 1.622 33.352 31.823 -0.155 0.000 0.990 604 V HN -0.066 nan 8.190 nan 0.000 0.444 605 I N 4.514 125.041 120.570 -0.072 0.000 2.556 605 I HA 0.289 4.462 4.170 0.005 0.000 0.284 605 I C 0.335 176.427 176.117 -0.041 0.000 1.114 605 I CA 0.190 61.471 61.300 -0.031 0.000 1.418 605 I CB 0.954 38.951 38.000 -0.004 0.000 1.394 605 I HN 0.627 nan 8.210 nan 0.000 0.552 606 K N 5.742 126.126 120.400 -0.028 0.000 2.245 606 K HA 0.370 4.693 4.320 0.005 0.000 0.234 606 K C 0.691 177.280 176.600 -0.019 0.000 1.021 606 K CA -0.362 55.907 56.287 -0.029 0.000 0.898 606 K CB 0.948 33.432 32.500 -0.027 0.000 1.163 606 K HN 0.330 nan 8.250 nan 0.000 0.459 607 K N 0.335 120.723 120.400 -0.021 0.000 2.283 607 K HA -0.076 4.247 4.320 0.005 0.000 0.202 607 K C 0.693 177.289 176.600 -0.007 0.000 1.048 607 K CA 1.083 57.359 56.287 -0.017 0.000 0.948 607 K CB 0.215 32.698 32.500 -0.027 0.000 0.742 607 K HN 0.427 nan 8.250 nan 0.000 0.458 608 E N 0.776 120.972 120.200 -0.007 0.000 2.478 608 E HA 0.068 4.421 4.350 0.005 0.000 0.194 608 E C -0.196 176.411 176.600 0.012 0.000 1.045 608 E CA 0.073 56.475 56.400 0.003 0.000 0.868 608 E CB 0.292 29.989 29.700 -0.004 0.000 0.885 608 E HN -0.023 nan 8.360 nan 0.000 0.505 609 S N 1.315 117.021 115.700 0.009 0.000 2.558 609 S HA -0.059 4.414 4.470 0.005 0.000 0.288 609 S C 0.005 174.620 174.600 0.025 0.000 1.318 609 S CA -0.171 58.038 58.200 0.016 0.000 1.056 609 S CB 0.350 63.556 63.200 0.011 0.000 0.853 609 S HN 0.200 nan 8.310 nan 0.000 0.505 610 D N 1.916 122.334 120.400 0.029 0.000 2.424 610 D HA 0.066 4.709 4.640 0.005 0.000 0.244 610 D C 0.030 176.344 176.300 0.024 0.000 1.134 610 D CA 0.031 54.052 54.000 0.035 0.000 0.881 610 D CB 0.461 41.283 40.800 0.037 0.000 1.191 610 D HN 0.274 nan 8.370 nan 0.000 0.445 611 I N 3.348 123.934 120.570 0.027 0.000 2.474 611 I HA 0.029 4.202 4.170 0.005 0.000 0.287 611 I C 0.584 176.683 176.117 -0.030 0.000 1.048 611 I CA 0.010 61.311 61.300 0.002 0.000 1.383 611 I CB 1.048 39.055 38.000 0.011 0.000 1.412 611 I HN 0.252 nan 8.210 nan 0.000 0.531 612 E N 7.463 127.635 120.200 -0.048 0.000 2.171 612 E HA 0.381 4.733 4.350 0.005 0.000 0.271 612 E C -2.330 174.187 176.600 -0.139 0.000 0.916 612 E CA -2.092 54.285 56.400 -0.039 0.000 0.774 612 E CB 1.396 31.143 29.700 0.079 0.000 1.128 612 E HN 0.238 nan 8.360 nan 0.000 0.403 613 P HA -0.071 nan 4.420 nan 0.000 0.261 613 P C -0.674 176.444 177.300 -0.303 0.000 1.173 613 P CA 0.170 62.841 63.100 -0.715 0.000 0.760 613 P CB 0.277 31.082 31.700 -1.491 0.000 0.783 614 L N 5.414 126.487 121.223 -0.250 0.000 2.409 614 L HA 0.558 4.901 4.340 0.005 0.000 0.272 614 L C -1.450 175.355 176.870 -0.108 0.000 0.980 614 L CA -0.315 54.478 54.840 -0.078 0.000 0.826 614 L CB 1.258 43.283 42.059 -0.056 0.000 1.268 614 L HN 0.170 nan 8.230 nan 0.000 0.407 615 I N 5.710 126.242 120.570 -0.063 0.000 2.465 615 I HA 0.412 4.585 4.170 0.005 0.000 0.291 615 I C -0.606 175.394 176.117 -0.196 0.000 1.014 615 I CA -0.709 60.472 61.300 -0.199 0.000 1.093 615 I CB 2.159 39.962 38.000 -0.328 0.000 1.267 615 I HN 0.271 nan 8.210 nan 0.000 0.431 616 V N 6.688 126.345 119.914 -0.430 0.000 2.383 616 V HA 0.453 4.576 4.120 0.005 0.000 0.275 616 V C 0.183 176.083 176.094 -0.323 0.000 1.036 616 V CA -0.549 61.489 62.300 -0.436 0.000 0.889 616 V CB 1.631 32.985 31.823 -0.781 0.000 0.985 616 V HN 0.558 nan 8.190 nan 0.000 0.459 617 V N 2.432 122.293 119.914 -0.089 0.000 3.001 617 V HA 0.675 4.798 4.120 0.005 0.000 0.314 617 V C -0.096 176.041 176.094 0.073 0.000 1.099 617 V CA -1.216 61.103 62.300 0.031 0.000 0.989 617 V CB 1.837 33.713 31.823 0.088 0.000 1.040 617 V HN 0.687 nan 8.190 nan 0.000 0.434 618 K N 0.000 120.467 120.400 0.111 0.000 2.780 618 K HA 0.000 4.323 4.320 0.005 0.000 0.191 618 K CA 0.000 56.353 56.287 0.110 0.000 0.838 618 K CB 0.000 32.572 32.500 0.119 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543