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 2io7_1_B DATA FIRST_RESID 12 DATA SEQUENCE FGTLLGYAPG GVAIYSXXXX XXXXXXXXXX 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 REXXXXXXAA DATA SEQUENCE VPIRTGHPQN EVRLIDVLLR PEVLVFEPLW TVIPGNKAIL PILWSLFPHH DATA SEQUENCE RYLLDTDFTV NDELVKTGYA VKPIAGRCGS NIDLVSHHEE VLDKTSGKFA DATA SEQUENCE EQKNIYQQLW 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 0.000 175.900 175.800 0.167 0.000 0.967 12 F CA 0.000 58.116 58.000 0.193 0.000 1.383 12 F CB 0.000 39.134 39.000 0.224 0.000 1.145 13 G N 2.821 111.360 108.800 -0.434 0.000 2.234 13 G HA2 -0.258 3.705 3.960 0.004 0.000 0.260 13 G HA3 -0.258 3.705 3.960 0.004 0.000 0.260 13 G C 0.485 175.244 174.900 -0.236 0.000 0.987 13 G CA 0.381 45.208 45.100 -0.456 0.000 0.625 13 G HN 1.311 nan 8.290 nan 0.000 0.532 14 T N 1.095 115.603 114.554 -0.076 0.000 2.905 14 T HA 0.300 4.653 4.350 0.004 0.000 0.299 14 T C 0.772 175.461 174.700 -0.019 0.000 1.024 14 T CA 0.142 62.227 62.100 -0.024 0.000 1.151 14 T CB 0.283 69.149 68.868 -0.004 0.000 0.987 14 T HN 0.782 nan 8.240 nan 0.000 0.535 15 L N 6.354 127.574 121.223 -0.006 0.000 2.410 15 L HA 0.241 4.584 4.340 0.004 0.000 0.273 15 L C 0.859 177.587 176.870 -0.237 0.000 1.144 15 L CA -0.360 54.389 54.840 -0.151 0.000 0.863 15 L CB 0.286 42.255 42.059 -0.151 0.000 1.140 15 L HN 0.828 nan 8.230 nan 0.000 0.463 16 L N 4.952 125.960 121.223 -0.359 0.000 2.575 16 L HA 0.420 4.763 4.340 0.004 0.000 0.228 16 L C 0.876 177.570 176.870 -0.294 0.000 1.075 16 L CA 0.435 55.109 54.840 -0.276 0.000 0.867 16 L CB 0.186 42.086 42.059 -0.265 0.000 1.097 16 L HN 0.846 nan 8.230 nan 0.000 0.485 17 G N -1.140 107.393 108.800 -0.445 0.000 2.344 17 G HA2 0.241 4.204 3.960 0.004 0.000 0.282 17 G HA3 0.241 4.204 3.960 0.004 0.000 0.282 17 G C -2.214 172.368 174.900 -0.529 0.000 1.281 17 G CA -0.632 44.263 45.100 -0.342 0.000 0.877 17 G HN -0.165 nan 8.290 nan 0.000 0.494 18 Y N -0.053 120.187 120.300 -0.101 0.000 2.470 18 Y HA 0.709 5.262 4.550 0.005 0.000 0.341 18 Y C 0.698 176.638 175.900 0.066 0.000 1.021 18 Y CA -0.091 57.991 58.100 -0.029 0.000 1.025 18 Y CB 2.028 40.470 38.460 -0.029 0.000 1.266 18 Y HN 0.969 nan 8.280 nan 0.000 0.448 19 A N 3.467 126.508 122.820 0.368 0.000 2.310 19 A HA 0.617 4.940 4.320 0.004 0.000 0.260 19 A C -2.596 175.213 177.584 0.376 0.000 1.112 19 A CA -1.606 50.697 52.037 0.443 0.000 0.804 19 A CB -0.304 19.180 19.000 0.808 0.000 1.081 19 A HN 0.486 nan 8.150 nan 0.000 0.499 20 P HA 0.234 nan 4.420 nan 0.000 0.266 20 P C 0.935 178.303 177.300 0.113 0.000 1.193 20 P CA 1.935 65.191 63.100 0.260 0.000 0.770 20 P CB 0.442 32.329 31.700 0.312 0.000 0.836 21 G N 1.570 110.382 108.800 0.019 0.000 2.205 21 G HA2 -0.102 3.860 3.960 0.004 0.000 0.261 21 G HA3 -0.102 3.860 3.960 0.004 0.000 0.261 21 G C 0.614 175.456 174.900 -0.095 0.000 0.980 21 G CA 0.360 45.408 45.100 -0.085 0.000 0.632 21 G HN 1.132 nan 8.290 nan 0.000 0.533 22 G N -1.869 106.912 108.800 -0.031 0.000 2.638 22 G HA2 0.190 4.153 3.960 0.004 0.000 0.269 22 G HA3 0.190 4.153 3.960 0.004 0.000 0.269 22 G C -0.188 174.765 174.900 0.087 0.000 1.141 22 G CA 0.220 45.284 45.100 -0.060 0.000 1.081 22 G HN 1.577 nan 8.290 nan 0.000 0.527 23 V N 1.247 121.294 119.914 0.221 0.000 2.350 23 V HA 0.752 4.874 4.120 0.004 0.000 0.285 23 V C 1.018 177.260 176.094 0.246 0.000 1.014 23 V CA -0.400 62.008 62.300 0.179 0.000 0.831 23 V CB 1.176 33.044 31.823 0.075 0.000 1.000 23 V HN 1.536 nan 8.190 nan 0.000 0.433 24 A N 6.530 129.398 122.820 0.081 0.000 2.555 24 A HA 0.523 4.845 4.320 0.004 0.000 0.233 24 A C -0.188 177.059 177.584 -0.562 0.000 1.060 24 A CA 0.400 52.128 52.037 -0.515 0.000 0.759 24 A CB 0.006 18.568 19.000 -0.730 0.000 0.995 24 A HN 0.779 nan 8.150 nan 0.000 0.506 25 I N 1.559 121.595 120.570 -0.890 0.000 2.439 25 I HA 0.403 4.576 4.170 0.004 0.000 0.285 25 I C -0.983 174.562 176.117 -0.954 0.000 1.021 25 I CA -0.200 60.694 61.300 -0.675 0.000 1.091 25 I CB 1.249 38.976 38.000 -0.456 0.000 1.242 25 I HN 0.730 nan 8.210 nan 0.000 0.439 26 Y N 2.765 122.737 120.300 -0.546 0.000 2.730 26 Y HA 0.572 5.124 4.550 0.004 0.000 0.325 26 Y C 0.729 176.341 175.900 -0.479 0.000 1.132 26 Y CA -0.806 56.885 58.100 -0.682 0.000 1.206 26 Y CB 1.107 38.748 38.460 -1.366 0.000 1.390 26 Y HN 0.390 nan 8.280 nan 0.000 0.555 43 V N -1.660 118.317 119.914 0.104 0.000 3.499 43 V HA 0.443 4.565 4.120 0.004 0.000 0.308 43 V C 0.917 176.784 176.094 -0.378 0.000 1.319 43 V CA 0.782 63.005 62.300 -0.128 0.000 1.194 43 V CB -1.110 30.555 31.823 -0.265 0.000 1.072 43 V HN 0.421 nan 8.190 nan 0.000 0.426 44 F N 0.039 119.951 119.950 -0.062 0.000 2.653 44 F HA 0.451 4.981 4.527 0.004 0.000 0.304 44 F C 1.394 177.002 175.800 -0.321 0.000 1.092 44 F CA -0.824 57.015 58.000 -0.267 0.000 1.279 44 F CB 0.162 38.835 39.000 -0.544 0.000 1.044 44 F HN 0.007 nan 8.300 nan 0.000 0.564 45 R N 0.916 121.445 120.500 0.049 0.000 2.522 45 R HA 0.153 4.495 4.340 0.004 0.000 0.284 45 R C 0.369 176.608 176.300 -0.102 0.000 1.032 45 R CA 0.038 56.168 56.100 0.051 0.000 1.049 45 R CB 0.722 31.182 30.300 0.267 0.000 0.956 45 R HN -0.000 nan 8.270 nan 0.000 0.422 46 S N 3.753 119.214 115.700 -0.398 0.000 2.448 46 S HA 0.380 4.852 4.470 0.004 0.000 0.320 46 S C -1.232 173.137 174.600 -0.386 0.000 1.071 46 S CA -0.603 57.384 58.200 -0.354 0.000 1.113 46 S CB 0.285 63.195 63.200 -0.483 0.000 0.972 46 S HN 0.408 nan 8.310 nan 0.000 0.465 47 Y N 3.283 123.517 120.300 -0.110 0.000 2.509 47 Y HA 0.632 5.184 4.550 0.004 0.000 0.341 47 Y C 0.186 176.068 175.900 -0.030 0.000 1.038 47 Y CA -1.029 57.019 58.100 -0.087 0.000 1.089 47 Y CB 1.667 40.109 38.460 -0.030 0.000 1.241 47 Y HN 0.489 nan 8.280 nan 0.000 0.468 48 I N 2.941 123.587 120.570 0.127 0.000 2.476 48 I HA 0.193 4.365 4.170 0.004 0.000 0.281 48 I C -0.904 175.296 176.117 0.138 0.000 1.040 48 I CA -0.228 61.171 61.300 0.166 0.000 1.094 48 I CB 1.065 39.232 38.000 0.278 0.000 1.219 48 I HN 0.779 nan 8.210 nan 0.000 0.450 49 D N 3.767 124.245 120.400 0.129 0.000 3.923 49 D HA -0.228 4.414 4.640 0.004 0.000 0.159 49 D C 0.126 176.444 176.300 0.030 0.000 1.003 49 D CA 1.846 55.896 54.000 0.084 0.000 1.071 49 D CB -0.308 40.560 40.800 0.115 0.000 0.567 49 D HN 0.776 nan 8.370 nan 0.000 0.615 50 D N 0.313 120.689 120.400 -0.040 0.000 2.559 50 D HA 0.368 5.011 4.640 0.004 0.000 0.234 50 D C -0.220 175.922 176.300 -0.263 0.000 1.226 50 D CA -0.130 53.772 54.000 -0.163 0.000 0.830 50 D CB 0.203 40.874 40.800 -0.214 0.000 1.028 50 D HN 0.142 nan 8.370 nan 0.000 0.492 51 E N 0.545 120.681 120.200 -0.107 0.000 2.156 51 E HA 0.224 4.576 4.350 0.004 0.000 0.279 51 E C -1.520 174.986 176.600 -0.156 0.000 0.965 51 E CA -1.003 55.254 56.400 -0.239 0.000 0.789 51 E CB 0.551 29.917 29.700 -0.556 0.000 1.098 51 E HN 0.170 nan 8.360 nan 0.000 0.397 52 Y N 5.790 125.866 120.300 -0.373 0.000 2.480 52 Y HA 0.040 4.592 4.550 0.004 0.000 0.341 52 Y C 0.664 176.275 175.900 -0.482 0.000 1.031 52 Y CA 0.138 57.834 58.100 -0.674 0.000 1.295 52 Y CB 0.564 38.688 38.460 -0.559 0.000 1.162 52 Y HN 0.629 nan 8.280 nan 0.000 0.523 53 M N 4.085 123.159 119.600 -0.877 0.000 2.466 53 M HA 0.278 4.760 4.480 0.004 0.000 0.265 53 M C 0.992 176.834 176.300 -0.763 0.000 1.122 53 M CA 1.136 56.059 55.300 -0.629 0.000 1.157 53 M CB -0.598 31.788 32.600 -0.356 0.000 1.352 53 M HN 0.864 nan 8.290 nan 0.000 0.464 54 G N -1.282 106.709 108.800 -1.349 0.000 2.356 54 G HA2 0.033 3.995 3.960 0.004 0.000 0.266 54 G HA3 0.033 3.995 3.960 0.004 0.000 0.266 54 G C -1.579 172.962 174.900 -0.598 0.000 1.312 54 G CA -0.788 43.768 45.100 -0.907 0.000 0.922 54 G HN 0.347 nan 8.290 nan 0.000 0.480 55 H N 1.577 120.504 119.070 -0.239 0.000 2.481 55 H HA 0.421 4.979 4.556 0.004 0.000 0.333 55 H C -0.103 175.130 175.328 -0.158 0.000 1.066 55 H CA -0.379 55.605 56.048 -0.108 0.000 1.209 55 H CB 1.036 30.811 29.762 0.021 0.000 1.445 55 H HN 0.400 nan 8.280 nan 0.000 0.488 56 K N 4.902 124.932 120.400 -0.617 0.000 2.412 56 K HA -0.046 4.276 4.320 0.004 0.000 0.284 56 K C -0.795 175.760 176.600 -0.075 0.000 1.046 56 K CA 0.396 56.180 56.287 -0.839 0.000 0.999 56 K CB 0.627 32.287 32.500 -1.400 0.000 0.941 56 K HN 0.464 nan 8.250 nan 0.000 0.474 57 W N 3.426 124.850 121.300 0.207 0.000 2.291 57 W HA 0.177 4.839 4.660 0.003 0.000 0.288 57 W C -0.130 176.471 176.519 0.137 0.000 0.976 57 W CA -0.647 56.750 57.345 0.088 0.000 1.744 57 W CB 0.767 30.201 29.460 -0.043 0.000 1.815 57 W HN 0.464 nan 8.180 nan 0.000 0.396 58 Q N 0.041 120.035 119.800 0.323 0.000 2.407 58 Q HA 0.119 4.462 4.340 0.004 0.000 0.214 58 Q C 1.548 177.689 176.000 0.234 0.000 1.043 58 Q CA -0.225 55.734 55.803 0.260 0.000 0.983 58 Q CB 0.928 29.796 28.738 0.216 0.000 1.211 58 Q HN 0.552 nan 8.270 nan 0.000 0.564 59 C N -1.830 117.571 119.300 0.169 0.000 2.425 59 C HA -0.071 4.392 4.460 0.004 0.000 0.277 59 C C 2.279 177.352 174.990 0.139 0.000 1.280 59 C CA 0.077 59.148 59.018 0.088 0.000 1.744 59 C CB -1.133 26.539 27.740 -0.113 0.000 1.989 59 C HN 0.638 nan 8.230 nan 0.000 0.491 60 V N 1.425 121.431 119.914 0.153 0.000 2.427 60 V HA -0.173 3.949 4.120 0.004 0.000 0.248 60 V C 3.045 179.277 176.094 0.231 0.000 1.051 60 V CA 2.230 64.668 62.300 0.230 0.000 1.048 60 V CB -0.839 31.114 31.823 0.217 0.000 0.666 60 V HN 0.578 nan 8.190 nan 0.000 0.456 61 E N 0.036 120.338 120.200 0.170 0.000 2.085 61 E HA -0.258 4.095 4.350 0.004 0.000 0.194 61 E C 2.116 178.841 176.600 0.207 0.000 0.994 61 E CA 1.705 58.170 56.400 0.108 0.000 0.801 61 E CB -0.189 29.578 29.700 0.113 0.000 0.743 61 E HN 0.592 nan 8.360 nan 0.000 0.453 62 F N 1.114 121.171 119.950 0.179 0.000 2.084 62 F HA -0.095 4.436 4.527 0.005 0.000 0.296 62 F C 2.299 178.225 175.800 0.210 0.000 1.111 62 F CA 1.881 59.990 58.000 0.182 0.000 1.224 62 F CB -0.585 38.486 39.000 0.118 0.000 0.991 62 F HN 0.051 nan 8.300 nan 0.000 0.471 63 A N 0.674 123.697 122.820 0.337 0.000 1.908 63 A HA -0.240 4.082 4.320 0.004 0.000 0.218 63 A C 2.403 180.166 177.584 0.298 0.000 1.181 63 A CA 1.932 54.141 52.037 0.287 0.000 0.627 63 A CB -0.930 18.270 19.000 0.333 0.000 0.818 63 A HN 0.504 nan 8.150 nan 0.000 0.445 64 R N -0.848 119.797 120.500 0.242 0.000 2.066 64 R HA -0.125 4.218 4.340 0.004 0.000 0.232 64 R C 2.523 178.836 176.300 0.022 0.000 1.131 64 R CA 1.627 57.737 56.100 0.017 0.000 0.955 64 R CB -0.258 29.830 30.300 -0.355 0.000 0.851 64 R HN 0.575 nan 8.270 nan 0.000 0.432 65 R N -0.362 120.130 120.500 -0.013 0.000 2.073 65 R HA -0.185 4.157 4.340 0.004 0.000 0.234 65 R C 2.117 178.369 176.300 -0.080 0.000 1.134 65 R CA 1.882 57.986 56.100 0.006 0.000 0.952 65 R CB -0.569 29.739 30.300 0.013 0.000 0.850 65 R HN 0.223 nan 8.270 nan 0.000 0.433 66 F N 1.262 120.978 119.950 -0.389 0.000 2.043 66 F HA -0.267 4.264 4.527 0.006 0.000 0.297 66 F C 1.813 177.430 175.800 -0.305 0.000 1.118 66 F CA 1.960 59.690 58.000 -0.449 0.000 1.202 66 F CB -0.365 38.272 39.000 -0.605 0.000 0.965 66 F HN 0.012 nan 8.300 nan 0.000 0.482 67 L N -1.044 120.244 121.223 0.108 0.000 2.127 67 L HA -0.233 4.110 4.340 0.004 0.000 0.211 67 L C 2.402 179.250 176.870 -0.036 0.000 1.089 67 L CA 1.358 56.237 54.840 0.065 0.000 0.757 67 L CB -0.891 41.374 42.059 0.343 0.000 0.899 67 L HN 0.275 nan 8.230 nan 0.000 0.434 68 F N 0.667 120.537 119.950 -0.133 0.000 2.163 68 F HA -0.113 4.416 4.527 0.004 0.000 0.297 68 F C 2.137 177.833 175.800 -0.173 0.000 1.094 68 F CA 1.304 59.234 58.000 -0.118 0.000 1.290 68 F CB -0.171 38.770 39.000 -0.099 0.000 1.017 68 F HN -0.147 nan 8.300 nan 0.000 0.483 69 L N -0.161 120.815 121.223 -0.412 0.000 2.156 69 L HA -0.157 4.185 4.340 0.004 0.000 0.208 69 L C 1.852 178.407 176.870 -0.526 0.000 1.095 69 L CA 1.490 56.027 54.840 -0.506 0.000 0.770 69 L CB -0.665 41.192 42.059 -0.336 0.000 0.914 69 L HN 0.209 nan 8.230 nan 0.000 0.439 70 N N -1.490 116.796 118.700 -0.690 0.000 2.387 70 N HA -0.039 4.703 4.740 0.004 0.000 0.176 70 N C 0.795 176.015 175.510 -0.483 0.000 1.022 70 N CA 0.675 53.261 53.050 -0.773 0.000 0.883 70 N CB 0.282 37.933 38.487 -1.393 0.000 1.019 70 N HN 0.317 nan 8.380 nan 0.000 0.435 71 Y N -1.300 118.908 120.300 -0.154 0.000 2.626 71 Y HA 0.358 4.910 4.550 0.004 0.000 0.248 71 Y C 1.173 177.040 175.900 -0.057 0.000 1.147 71 Y CA -0.505 57.555 58.100 -0.067 0.000 1.219 71 Y CB 1.159 39.626 38.460 0.012 0.000 1.279 71 Y HN -0.072 nan 8.280 nan 0.000 0.541 72 G N 1.974 110.741 108.800 -0.054 0.000 2.249 72 G HA2 -0.238 3.725 3.960 0.004 0.000 0.273 72 G HA3 -0.238 3.725 3.960 0.004 0.000 0.273 72 G C -0.146 174.861 174.900 0.178 0.000 1.036 72 G CA 0.546 45.632 45.100 -0.024 0.000 0.824 72 G HN 0.549 nan 8.290 nan 0.000 0.504 73 V N -3.402 116.654 119.914 0.237 0.000 3.102 73 V HA 0.968 5.090 4.120 0.004 0.000 0.312 73 V C 0.091 176.325 176.094 0.233 0.000 1.135 73 V CA -0.496 61.946 62.300 0.237 0.000 1.022 73 V CB 2.436 34.390 31.823 0.218 0.000 1.056 73 V HN 1.748 nan 8.190 nan 0.000 0.436 74 V N 0.187 120.181 119.914 0.133 0.000 3.048 74 V HA 0.769 4.892 4.120 0.004 0.000 0.303 74 V C -0.674 175.391 176.094 -0.048 0.000 1.214 74 V CA -0.754 61.538 62.300 -0.013 0.000 0.984 74 V CB 1.239 32.975 31.823 -0.146 0.000 1.054 74 V HN 1.528 nan 8.190 nan 0.000 0.430 75 F N 0.289 120.214 119.950 -0.042 0.000 2.399 75 F HA 0.848 5.378 4.527 0.005 0.000 0.328 75 F C 0.830 176.569 175.800 -0.102 0.000 1.084 75 F CA -0.403 57.516 58.000 -0.134 0.000 1.053 75 F CB 1.032 39.979 39.000 -0.089 0.000 1.209 75 F HN 0.820 nan 8.300 nan 0.000 0.502 76 T N 0.255 114.809 114.554 0.000 0.000 2.795 76 T HA 0.028 4.380 4.350 0.004 0.000 0.314 76 T C -0.245 174.515 174.700 0.101 0.000 1.069 76 T CA -0.258 61.863 62.100 0.035 0.000 1.071 76 T CB 0.170 69.090 68.868 0.087 0.000 0.988 76 T HN 0.815 nan 8.240 nan 0.000 0.543 77 D N 0.227 120.676 120.400 0.082 0.000 2.443 77 D HA 0.350 4.992 4.640 0.004 0.000 0.239 77 D C -0.306 176.051 176.300 0.095 0.000 1.136 77 D CA 0.200 54.252 54.000 0.085 0.000 0.879 77 D CB 0.500 41.332 40.800 0.053 0.000 1.195 77 D HN 0.539 nan 8.370 nan 0.000 0.443 78 V N 0.900 120.870 119.914 0.093 0.000 2.925 78 V HA 0.766 4.889 4.120 0.004 0.000 0.311 78 V C 1.012 177.092 176.094 -0.023 0.000 1.104 78 V CA -0.196 62.115 62.300 0.018 0.000 0.954 78 V CB 1.405 33.236 31.823 0.014 0.000 1.022 78 V HN 0.537 nan 8.190 nan 0.000 0.427 79 G N 3.166 111.908 108.800 -0.097 0.000 2.454 79 G HA2 0.115 4.077 3.960 0.004 0.000 0.214 79 G HA3 0.115 4.077 3.960 0.004 0.000 0.214 79 G C 0.612 175.449 174.900 -0.104 0.000 1.217 79 G CA 0.597 45.647 45.100 -0.084 0.000 0.799 79 G HN 0.560 nan 8.290 nan 0.000 0.538 80 M N 0.075 119.528 119.600 -0.246 0.000 2.478 80 M HA 0.572 5.055 4.480 0.004 0.000 0.327 80 M C 1.567 177.688 176.300 -0.297 0.000 1.187 80 M CA -1.341 53.814 55.300 -0.241 0.000 1.022 80 M CB 1.271 33.699 32.600 -0.287 0.000 1.629 80 M HN 0.160 nan 8.290 nan 0.000 0.461 81 A N 2.972 125.737 122.820 -0.092 0.000 1.940 81 A HA -0.126 4.197 4.320 0.004 0.000 0.219 81 A C 1.732 179.288 177.584 -0.046 0.000 1.176 81 A CA 1.674 53.681 52.037 -0.050 0.000 0.631 81 A CB -0.851 18.146 19.000 -0.006 0.000 0.814 81 A HN 0.959 nan 8.150 nan 0.000 0.446 82 W N 0.436 121.772 121.300 0.059 0.000 2.468 82 W HA -0.070 4.593 4.660 0.005 0.000 0.262 82 W C 0.773 177.352 176.519 0.102 0.000 1.241 82 W CA 0.941 58.335 57.345 0.082 0.000 1.232 82 W CB -0.686 28.823 29.460 0.082 0.000 1.124 82 W HN 0.491 nan 8.180 nan 0.000 0.597 83 E N 1.090 120.882 120.200 -0.680 0.000 2.418 83 E HA -0.090 4.262 4.350 0.004 0.000 0.197 83 E C 2.098 178.593 176.600 -0.175 0.000 1.026 83 E CA 0.766 56.795 56.400 -0.618 0.000 0.862 83 E CB -0.163 29.108 29.700 -0.715 0.000 0.799 83 E HN 0.386 nan 8.360 nan 0.000 0.518 84 I N 0.363 120.872 120.570 -0.103 0.000 2.252 84 I HA -0.226 3.947 4.170 0.004 0.000 0.245 84 I C 2.008 178.127 176.117 0.004 0.000 1.102 84 I CA 0.703 61.938 61.300 -0.108 0.000 1.385 84 I CB -0.153 37.691 38.000 -0.261 0.000 1.064 84 I HN 0.061 nan 8.210 nan 0.000 0.414 85 F N 1.459 121.393 119.950 -0.028 0.000 2.529 85 F HA -0.192 4.338 4.527 0.004 0.000 0.297 85 F C 2.212 178.019 175.800 0.012 0.000 1.114 85 F CA 1.038 59.043 58.000 0.008 0.000 1.467 85 F CB -0.261 38.777 39.000 0.064 0.000 1.096 85 F HN -0.029 nan 8.300 nan 0.000 0.586 86 S N -0.444 115.262 115.700 0.009 0.000 2.524 86 S HA 0.237 4.710 4.470 0.004 0.000 0.215 86 S C 0.753 175.334 174.600 -0.032 0.000 0.986 86 S CA -0.305 57.880 58.200 -0.025 0.000 0.911 86 S CB 0.042 63.280 63.200 0.064 0.000 0.805 86 S HN 0.059 nan 8.310 nan 0.000 0.501 87 L N 1.500 122.712 121.223 -0.018 0.000 2.472 87 L HA 0.352 4.694 4.340 0.004 0.000 0.260 87 L C 1.338 178.244 176.870 0.060 0.000 1.209 87 L CA -0.229 54.658 54.840 0.078 0.000 0.817 87 L CB 0.240 42.330 42.059 0.051 0.000 1.106 87 L HN 0.013 nan 8.230 nan 0.000 0.479 88 R N 1.852 122.494 120.500 0.237 0.000 2.569 88 R HA 0.284 4.626 4.340 0.004 0.000 0.422 88 R C -1.123 175.370 176.300 0.322 0.000 0.980 88 R CA -0.050 56.139 56.100 0.149 0.000 1.164 88 R CB 0.577 30.893 30.300 0.027 0.000 1.520 88 R HN 0.643 nan 8.270 nan 0.000 0.567 89 F N -1.745 118.220 119.950 0.025 0.000 2.688 89 F HA 0.590 5.119 4.527 0.004 0.000 0.308 89 F C -1.762 174.101 175.800 0.105 0.000 1.117 89 F CA -1.328 56.708 58.000 0.059 0.000 0.976 89 F CB 1.240 40.276 39.000 0.059 0.000 1.291 89 F HN -0.314 nan 8.300 nan 0.000 0.439 90 L N 3.440 124.652 121.223 -0.017 0.000 2.342 90 L HA 0.607 4.949 4.340 0.004 0.000 0.271 90 L C -0.433 176.438 176.870 0.001 0.000 1.008 90 L CA -1.068 53.729 54.840 -0.071 0.000 0.818 90 L CB 2.242 44.350 42.059 0.082 0.000 1.296 90 L HN 0.828 nan 8.230 nan 0.000 0.427 91 R N 2.053 122.545 120.500 -0.013 0.000 2.312 91 R HA 0.234 4.576 4.340 0.004 0.000 0.311 91 R C -0.502 175.864 176.300 0.110 0.000 1.004 91 R CA -0.468 55.678 56.100 0.076 0.000 0.902 91 R CB 1.250 31.594 30.300 0.073 0.000 1.073 91 R HN 0.651 nan 8.270 nan 0.000 0.457 92 E N 4.847 125.123 120.200 0.126 0.000 2.014 92 E HA 0.042 4.395 4.350 0.004 0.000 0.275 92 E C 1.299 177.980 176.600 0.136 0.000 0.997 92 E CA -0.491 55.988 56.400 0.133 0.000 0.804 92 E CB 1.038 30.807 29.700 0.115 0.000 1.090 92 E HN 0.649 nan 8.360 nan 0.000 0.401 93 V N 3.082 123.094 119.914 0.163 0.000 2.231 93 V HA -0.298 3.825 4.120 0.004 0.000 0.250 93 V C 2.159 178.320 176.094 0.112 0.000 1.058 93 V CA 2.135 64.528 62.300 0.155 0.000 1.022 93 V CB -1.690 30.287 31.823 0.257 0.000 0.640 93 V HN 0.643 nan 8.190 nan 0.000 0.445 94 V N 1.852 121.834 119.914 0.113 0.000 2.511 94 V HA -0.278 3.845 4.120 0.004 0.000 0.257 94 V C 1.585 177.707 176.094 0.047 0.000 1.088 94 V CA 2.601 64.941 62.300 0.068 0.000 1.098 94 V CB -1.861 29.995 31.823 0.054 0.000 0.674 94 V HN 1.033 nan 8.190 nan 0.000 0.470 95 N N -2.212 116.529 118.700 0.068 0.000 2.390 95 N HA 0.102 4.844 4.740 0.004 0.000 0.259 95 N C -0.297 175.287 175.510 0.122 0.000 1.395 95 N CA 0.205 53.299 53.050 0.074 0.000 0.852 95 N CB 0.368 38.899 38.487 0.072 0.000 1.371 95 N HN 0.270 nan 8.380 nan 0.000 0.491 96 D N 1.038 121.514 120.400 0.125 0.000 2.903 96 D HA -0.244 4.398 4.640 0.004 0.000 0.228 96 D C -0.327 176.172 176.300 0.332 0.000 1.178 96 D CA 1.002 55.121 54.000 0.199 0.000 0.740 96 D CB -1.233 39.699 40.800 0.219 0.000 1.077 96 D HN 0.691 nan 8.370 nan 0.000 0.419 97 N N -0.055 118.795 118.700 0.249 0.000 2.508 97 N HA 0.271 5.014 4.740 0.004 0.000 0.264 97 N C -0.086 175.481 175.510 0.095 0.000 1.216 97 N CA -0.283 52.901 53.050 0.224 0.000 0.943 97 N CB 0.702 39.284 38.487 0.159 0.000 1.113 97 N HN 0.052 nan 8.380 nan 0.000 0.447 98 I N 3.961 124.493 120.570 -0.064 0.000 2.378 98 I HA 0.266 4.439 4.170 0.004 0.000 0.291 98 I C -0.399 175.778 176.117 0.100 0.000 0.992 98 I CA -0.641 60.685 61.300 0.043 0.000 1.154 98 I CB 1.413 39.434 38.000 0.035 0.000 1.315 98 I HN 0.386 nan 8.210 nan 0.000 0.448 99 L N 7.793 129.108 121.223 0.153 0.000 2.330 99 L HA 0.590 4.933 4.340 0.004 0.000 0.271 99 L C -2.367 174.603 176.870 0.166 0.000 1.013 99 L CA -1.966 52.951 54.840 0.129 0.000 0.816 99 L CB 1.881 44.002 42.059 0.104 0.000 1.287 99 L HN 0.316 nan 8.230 nan 0.000 0.435 100 P HA 0.202 nan 4.420 nan 0.000 0.280 100 P C -1.207 176.154 177.300 0.102 0.000 1.244 100 P CA -0.375 62.794 63.100 0.114 0.000 0.784 100 P CB 1.857 33.599 31.700 0.069 0.000 0.913 101 L N 3.900 125.181 121.223 0.097 0.000 2.372 101 L HA 0.349 4.692 4.340 0.004 0.000 0.274 101 L C -0.402 176.466 176.870 -0.003 0.000 0.988 101 L CA -0.348 54.535 54.840 0.071 0.000 0.833 101 L CB 1.545 43.648 42.059 0.073 0.000 1.236 101 L HN 0.221 nan 8.230 nan 0.000 0.410 102 Q N 3.462 123.259 119.800 -0.005 0.000 2.230 102 Q HA 0.721 5.063 4.340 0.004 0.000 0.248 102 Q C -0.464 175.307 176.000 -0.382 0.000 0.915 102 Q CA -0.367 55.304 55.803 -0.219 0.000 0.900 102 Q CB 1.871 30.486 28.738 -0.204 0.000 1.229 102 Q HN 0.763 nan 8.270 nan 0.000 0.439 103 A N 2.004 124.404 122.820 -0.699 0.000 2.320 103 A HA 0.845 5.168 4.320 0.004 0.000 0.334 103 A C -1.127 175.881 177.584 -0.960 0.000 1.147 103 A CA -0.439 51.159 52.037 -0.732 0.000 0.820 103 A CB 0.662 19.041 19.000 -1.035 0.000 1.218 103 A HN 0.534 nan 8.150 nan 0.000 0.482 104 F N 1.437 121.290 119.950 -0.161 0.000 2.569 104 F HA 0.520 5.049 4.527 0.004 0.000 0.312 104 F C -2.339 173.288 175.800 -0.288 0.000 1.109 104 F CA -2.042 55.798 58.000 -0.267 0.000 0.919 104 F CB 2.563 41.273 39.000 -0.483 0.000 1.211 104 F HN 0.348 nan 8.300 nan 0.000 0.446 105 P HA 0.063 nan 4.420 nan 0.000 0.277 105 P C -0.718 176.309 177.300 -0.454 0.000 1.240 105 P CA -0.400 62.597 63.100 -0.170 0.000 0.798 105 P CB 1.029 32.695 31.700 -0.055 0.000 0.979 106 N N 1.336 119.806 118.700 -0.383 0.000 2.440 106 N HA 0.226 4.969 4.740 0.004 0.000 0.265 106 N C 0.546 176.016 175.510 -0.068 0.000 1.239 106 N CA 1.397 54.305 53.050 -0.235 0.000 0.909 106 N CB -0.901 37.528 38.487 -0.096 0.000 1.066 106 N HN 0.750 nan 8.380 nan 0.000 0.474 107 G N 1.447 110.297 108.800 0.083 0.000 3.030 107 G HA2 -0.058 3.904 3.960 0.004 0.000 0.233 107 G HA3 -0.058 3.904 3.960 0.004 0.000 0.233 107 G C -0.533 174.408 174.900 0.068 0.000 1.091 107 G CA -0.010 45.151 45.100 0.103 0.000 1.113 107 G HN 0.767 nan 8.290 nan 0.000 0.556 108 S N 0.410 116.210 115.700 0.167 0.000 2.599 108 S HA 0.858 5.330 4.470 0.004 0.000 0.287 108 S C -1.656 173.017 174.600 0.121 0.000 1.105 108 S CA -1.114 57.144 58.200 0.097 0.000 0.899 108 S CB 2.073 65.301 63.200 0.047 0.000 1.100 108 S HN -0.013 nan 8.310 nan 0.000 0.482 109 P HA 0.096 nan 4.420 nan 0.000 0.222 109 P C -0.161 176.996 177.300 -0.239 0.000 1.153 109 P CA 0.395 63.263 63.100 -0.387 0.000 0.798 109 P CB 0.109 31.034 31.700 -1.292 0.000 0.796 110 R N 1.319 121.707 120.500 -0.188 0.000 2.288 110 R HA 0.409 4.752 4.340 0.004 0.000 0.330 110 R C -0.437 175.813 176.300 -0.085 0.000 1.069 110 R CA -0.500 55.534 56.100 -0.110 0.000 0.941 110 R CB -0.998 29.069 30.300 -0.389 0.000 0.998 110 R HN -0.064 nan 8.270 nan 0.000 0.452 111 A N 7.137 129.712 122.820 -0.407 0.000 2.388 111 A HA 0.382 4.705 4.320 0.004 0.000 0.257 111 A C -2.013 175.196 177.584 -0.624 0.000 1.095 111 A CA -1.381 50.103 52.037 -0.920 0.000 0.791 111 A CB 0.045 18.299 19.000 -1.244 0.000 1.029 111 A HN 0.752 nan 8.150 nan 0.000 0.489 112 P HA 0.217 nan 4.420 nan 0.000 0.260 112 P C 0.048 176.970 177.300 -0.629 0.000 1.651 112 P CA -0.013 62.328 63.100 -1.265 0.000 1.139 112 P CB -0.073 30.374 31.700 -2.088 0.000 1.756 113 V N 1.467 121.149 119.914 -0.386 0.000 3.185 113 V HA 0.568 4.690 4.120 0.004 0.000 0.305 113 V C 0.688 176.696 176.094 -0.144 0.000 1.090 113 V CA -1.078 61.084 62.300 -0.230 0.000 1.107 113 V CB -0.144 31.587 31.823 -0.154 0.000 1.061 113 V HN 0.515 nan 8.190 nan 0.000 0.480 114 A N 2.103 124.870 122.820 -0.089 0.000 2.498 114 A HA 0.530 4.853 4.320 0.004 0.000 0.239 114 A C 1.575 179.204 177.584 0.074 0.000 1.068 114 A CA 0.474 52.505 52.037 -0.010 0.000 0.766 114 A CB -0.574 18.435 19.000 0.016 0.000 1.003 114 A HN 2.780 nan 8.150 nan 0.000 0.497 115 G N 0.014 108.906 108.800 0.152 0.000 2.179 115 G HA2 0.138 4.101 3.960 0.004 0.000 0.260 115 G HA3 0.138 4.101 3.960 0.004 0.000 0.260 115 G C 0.584 175.628 174.900 0.240 0.000 0.977 115 G CA 0.576 45.874 45.100 0.329 0.000 0.641 115 G HN 2.174 nan 8.290 nan 0.000 0.533 116 A N -0.042 122.851 122.820 0.121 0.000 2.322 116 A HA 0.763 5.086 4.320 0.004 0.000 0.269 116 A C 0.587 178.276 177.584 0.175 0.000 1.094 116 A CA -0.277 51.849 52.037 0.148 0.000 0.807 116 A CB 0.518 19.591 19.000 0.122 0.000 1.047 116 A HN 0.819 nan 8.150 nan 0.000 0.487 117 L N 1.069 122.420 121.223 0.212 0.000 2.380 117 L HA 0.331 4.673 4.340 0.004 0.000 0.273 117 L C -0.381 176.644 176.870 0.258 0.000 1.138 117 L CA -0.301 54.653 54.840 0.191 0.000 0.832 117 L CB 0.979 43.115 42.059 0.128 0.000 1.124 117 L HN 0.647 nan 8.230 nan 0.000 0.454 118 L N 5.260 126.627 121.223 0.240 0.000 2.349 118 L HA 0.596 4.939 4.340 0.004 0.000 0.278 118 L C -0.770 176.273 176.870 0.289 0.000 0.996 118 L CA -0.157 54.837 54.840 0.257 0.000 0.825 118 L CB 1.239 43.437 42.059 0.232 0.000 1.243 118 L HN 0.260 nan 8.230 nan 0.000 0.412 119 I N 3.661 124.321 120.570 0.151 0.000 2.646 119 I HA 0.395 4.568 4.170 0.004 0.000 0.299 119 I C -0.648 175.529 176.117 0.100 0.000 1.036 119 I CA -0.719 60.708 61.300 0.212 0.000 1.074 119 I CB 1.744 39.836 38.000 0.153 0.000 1.258 119 I HN 0.612 nan 8.210 nan 0.000 0.430 120 W N 2.389 123.650 121.300 -0.066 0.000 2.627 120 W HA 0.252 4.915 4.660 0.004 0.000 0.339 120 W C 0.000 176.525 176.519 0.009 0.000 1.058 120 W CA -0.315 57.003 57.345 -0.045 0.000 1.223 120 W CB 2.250 31.647 29.460 -0.104 0.000 1.389 120 W HN 0.453 nan 8.180 nan 0.000 0.541 121 D N 1.790 122.307 120.400 0.196 0.000 2.377 121 D HA 0.094 4.737 4.640 0.004 0.000 0.245 121 D C -0.142 176.254 176.300 0.160 0.000 1.196 121 D CA 0.032 54.105 54.000 0.122 0.000 0.962 121 D CB 1.026 41.815 40.800 -0.019 0.000 1.127 121 D HN 0.193 nan 8.370 nan 0.000 0.471 122 K N 0.119 120.501 120.400 -0.029 0.000 2.326 122 K HA 0.554 4.877 4.320 0.004 0.000 0.275 122 K C 0.215 176.836 176.600 0.035 0.000 1.018 122 K CA -0.771 55.533 56.287 0.029 0.000 0.962 122 K CB 0.671 33.059 32.500 -0.185 0.000 0.953 122 K HN 0.473 nan 8.250 nan 0.000 0.475 123 G N 0.552 109.420 108.800 0.112 0.000 2.277 123 G HA2 0.381 4.344 3.960 0.004 0.000 0.272 123 G HA3 0.381 4.344 3.960 0.004 0.000 0.272 123 G C 0.136 175.070 174.900 0.055 0.000 1.692 123 G CA -0.130 45.009 45.100 0.064 0.000 0.926 123 G HN 0.989 nan 8.290 nan 0.000 0.720 124 G N 1.496 110.286 108.800 -0.016 0.000 2.591 124 G HA2 -0.155 3.808 3.960 0.004 0.000 0.298 124 G HA3 -0.155 3.808 3.960 0.004 0.000 0.298 124 G C 1.213 175.975 174.900 -0.231 0.000 1.195 124 G CA 1.336 46.380 45.100 -0.092 0.000 0.989 124 G HN 1.888 nan 8.290 nan 0.000 0.551 125 E N 0.405 120.310 120.200 -0.492 0.000 2.208 125 E HA -0.088 4.265 4.350 0.004 0.000 0.202 125 E C 1.486 177.576 176.600 -0.850 0.000 1.014 125 E CA 1.959 57.810 56.400 -0.915 0.000 0.819 125 E CB -0.330 28.256 29.700 -1.857 0.000 0.735 125 E HN 0.478 nan 8.360 nan 0.000 0.469 126 F N -0.110 119.713 119.950 -0.213 0.000 2.848 126 F HA 0.269 4.799 4.527 0.005 0.000 0.321 126 F C 1.022 176.806 175.800 -0.027 0.000 1.281 126 F CA -0.932 57.001 58.000 -0.112 0.000 1.209 126 F CB 0.496 39.449 39.000 -0.079 0.000 1.152 126 F HN -0.220 nan 8.300 nan 0.000 0.521 127 K N 0.446 120.882 120.400 0.060 0.000 2.067 127 K HA -0.279 4.043 4.320 0.004 0.000 0.226 127 K C 0.871 177.515 176.600 0.073 0.000 1.046 127 K CA 2.588 58.900 56.287 0.042 0.000 0.967 127 K CB -0.293 32.217 32.500 0.017 0.000 0.749 127 K HN 0.378 nan 8.250 nan 0.000 0.456 128 D N -2.693 117.777 120.400 0.117 0.000 2.403 128 D HA 0.031 4.673 4.640 0.004 0.000 0.280 128 D C 1.803 178.267 176.300 0.274 0.000 1.091 128 D CA 1.044 55.130 54.000 0.143 0.000 0.884 128 D CB 0.045 40.916 40.800 0.118 0.000 1.427 128 D HN 0.400 nan 8.370 nan 0.000 0.504 129 T N -0.388 114.323 114.554 0.261 0.000 2.643 129 T HA 0.180 4.533 4.350 0.004 0.000 0.264 129 T C 1.389 176.349 174.700 0.434 0.000 1.045 129 T CA 1.688 63.966 62.100 0.297 0.000 1.155 129 T CB -0.180 68.814 68.868 0.209 0.000 0.863 129 T HN 0.357 nan 8.240 nan 0.000 0.420 130 G N 0.737 109.747 108.800 0.350 0.000 2.500 130 G HA2 0.122 4.084 3.960 0.004 0.000 0.209 130 G HA3 0.122 4.084 3.960 0.004 0.000 0.209 130 G C -0.640 174.272 174.900 0.021 0.000 1.283 130 G CA -0.078 45.211 45.100 0.316 0.000 0.960 130 G HN 1.110 nan 8.290 nan 0.000 0.528 131 H N -1.938 117.002 119.070 -0.216 0.000 3.024 131 H HA 0.594 5.153 4.556 0.005 0.000 0.324 131 H C -1.844 173.393 175.328 -0.151 0.000 1.347 131 H CA 0.102 55.828 56.048 -0.538 0.000 1.182 131 H CB 1.885 30.552 29.762 -1.825 0.000 1.889 131 H HN 1.414 nan 8.280 nan 0.000 0.528 132 V N 2.035 121.423 119.914 -0.878 0.000 2.932 132 V HA 0.848 4.971 4.120 0.004 0.000 0.307 132 V C -1.466 174.340 176.094 -0.479 0.000 1.147 132 V CA 0.419 62.503 62.300 -0.360 0.000 0.951 132 V CB 1.356 33.099 31.823 -0.133 0.000 1.031 132 V HN 1.053 nan 8.190 nan 0.000 0.426 133 A N 6.149 128.962 122.820 -0.011 0.000 2.567 133 A HA 0.949 5.271 4.320 0.004 0.000 0.289 133 A C -1.747 175.923 177.584 0.142 0.000 1.177 133 A CA -0.706 51.370 52.037 0.067 0.000 0.694 133 A CB 1.808 20.899 19.000 0.152 0.000 1.292 133 A HN 0.753 nan 8.150 nan 0.000 0.425 134 I N 0.790 121.408 120.570 0.080 0.000 2.474 134 I HA 0.385 4.558 4.170 0.004 0.000 0.294 134 I C -0.452 175.652 176.117 -0.021 0.000 1.005 134 I CA -0.436 60.833 61.300 -0.051 0.000 1.113 134 I CB 1.324 39.041 38.000 -0.472 0.000 1.289 134 I HN 0.508 nan 8.210 nan 0.000 0.436 135 I N 5.162 125.729 120.570 -0.006 0.000 2.363 135 I HA 0.041 4.214 4.170 0.004 0.000 0.292 135 I C 1.575 177.687 176.117 -0.008 0.000 1.075 135 I CA 0.064 61.358 61.300 -0.011 0.000 1.333 135 I CB 1.153 39.116 38.000 -0.062 0.000 1.415 135 I HN 0.740 nan 8.210 nan 0.000 0.502 136 T N 2.296 116.863 114.554 0.021 0.000 3.044 136 T HA 0.055 4.408 4.350 0.004 0.000 0.255 136 T C 0.464 175.189 174.700 0.042 0.000 1.073 136 T CA 0.189 62.336 62.100 0.079 0.000 1.125 136 T CB 0.175 69.139 68.868 0.159 0.000 0.908 136 T HN 0.695 nan 8.240 nan 0.000 0.480 137 Q N 0.272 120.057 119.800 -0.025 0.000 2.378 137 Q HA 0.598 4.941 4.340 0.004 0.000 0.262 137 Q C -1.860 174.054 176.000 -0.143 0.000 0.978 137 Q CA -1.137 54.611 55.803 -0.092 0.000 0.918 137 Q CB 1.341 30.024 28.738 -0.091 0.000 1.415 137 Q HN 0.193 nan 8.270 nan 0.000 0.409 138 L N 2.303 123.401 121.223 -0.208 0.000 2.399 138 L HA 0.571 4.914 4.340 0.004 0.000 0.266 138 L C -0.654 176.022 176.870 -0.322 0.000 1.114 138 L CA 0.319 55.038 54.840 -0.202 0.000 0.804 138 L CB 0.882 42.815 42.059 -0.211 0.000 1.146 138 L HN 0.843 nan 8.230 nan 0.000 0.451 139 H N 1.246 120.258 119.070 -0.097 0.000 4.010 139 H HA 0.404 4.963 4.556 0.004 0.000 0.378 139 H C 0.307 175.611 175.328 -0.041 0.000 1.639 139 H CA 0.012 56.017 56.048 -0.071 0.000 1.137 139 H CB 1.110 30.818 29.762 -0.090 0.000 1.373 139 H HN 0.611 nan 8.280 nan 0.000 0.737 140 G N -0.476 108.411 108.800 0.144 0.000 2.673 140 G HA2 -0.130 3.832 3.960 0.004 0.000 0.208 140 G HA3 -0.130 3.832 3.960 0.004 0.000 0.208 140 G C 0.928 175.850 174.900 0.036 0.000 1.128 140 G CA 0.480 45.619 45.100 0.065 0.000 0.805 140 G HN 0.480 nan 8.290 nan 0.000 0.526 141 N N -0.885 117.830 118.700 0.024 0.000 2.082 141 N HA 0.157 4.899 4.740 0.004 0.000 0.228 141 N C 0.182 175.671 175.510 -0.034 0.000 1.341 141 N CA -0.123 52.919 53.050 -0.013 0.000 0.873 141 N CB 0.510 38.977 38.487 -0.033 0.000 1.137 141 N HN 0.472 nan 8.380 nan 0.000 0.505 142 K N -1.807 118.578 120.400 -0.025 0.000 2.305 142 K HA 0.747 5.070 4.320 0.004 0.000 0.268 142 K C -1.492 175.099 176.600 -0.015 0.000 1.034 142 K CA -0.883 55.363 56.287 -0.069 0.000 0.879 142 K CB 1.835 34.218 32.500 -0.195 0.000 1.506 142 K HN -0.208 nan 8.250 nan 0.000 0.425 143 V N 0.010 119.889 119.914 -0.059 0.000 3.023 143 V HA 0.406 4.528 4.120 0.004 0.000 0.294 143 V C -1.716 174.312 176.094 -0.110 0.000 1.324 143 V CA -0.762 61.508 62.300 -0.049 0.000 0.979 143 V CB 2.462 34.222 31.823 -0.105 0.000 1.093 143 V HN 0.710 nan 8.190 nan 0.000 0.434 144 R N 4.373 124.800 120.500 -0.122 0.000 2.387 144 R HA 0.740 5.083 4.340 0.004 0.000 0.314 144 R C -0.573 175.708 176.300 -0.031 0.000 0.958 144 R CA -0.474 55.504 56.100 -0.205 0.000 0.846 144 R CB 1.836 31.861 30.300 -0.458 0.000 1.147 144 R HN 0.745 nan 8.270 nan 0.000 0.447 145 I N -0.840 119.763 120.570 0.056 0.000 2.603 145 I HA 0.826 4.998 4.170 0.004 0.000 0.300 145 I C -0.737 175.465 176.117 0.140 0.000 1.017 145 I CA -0.917 60.451 61.300 0.113 0.000 1.098 145 I CB 2.267 40.380 38.000 0.188 0.000 1.279 145 I HN 0.561 nan 8.210 nan 0.000 0.437 146 A N 5.213 128.072 122.820 0.065 0.000 2.330 146 A HA 0.841 5.164 4.320 0.004 0.000 0.327 146 A C -0.535 176.869 177.584 -0.300 0.000 1.155 146 A CA -0.352 51.655 52.037 -0.051 0.000 0.803 146 A CB 1.024 20.062 19.000 0.063 0.000 1.208 146 A HN 0.973 nan 8.150 nan 0.000 0.477 147 E N 1.425 121.280 120.200 -0.575 0.000 2.422 147 E HA 0.391 4.743 4.350 0.004 0.000 0.280 147 E C -1.670 174.580 176.600 -0.583 0.000 1.091 147 E CA -0.787 55.258 56.400 -0.592 0.000 0.849 147 E CB 0.721 30.347 29.700 -0.123 0.000 1.353 147 E HN 0.595 nan 8.360 nan 0.000 0.449 148 Q N 0.262 119.862 119.800 -0.332 0.000 2.351 148 Q HA 0.390 4.733 4.340 0.004 0.000 0.273 148 Q C -0.845 175.156 176.000 0.002 0.000 1.077 148 Q CA -0.740 54.958 55.803 -0.175 0.000 0.843 148 Q CB 1.432 30.160 28.738 -0.016 0.000 1.367 148 Q HN 0.740 nan 8.270 nan 0.000 0.449 149 N N -0.130 118.521 118.700 -0.082 0.000 2.815 149 N HA -0.169 4.574 4.740 0.004 0.000 0.248 149 N C -0.914 174.709 175.510 0.187 0.000 1.110 149 N CA 0.889 53.976 53.050 0.062 0.000 0.699 149 N CB -0.946 37.666 38.487 0.209 0.000 1.040 149 N HN 0.366 nan 8.380 nan 0.000 0.555 150 V N -1.548 118.417 119.914 0.086 0.000 3.261 150 V HA 0.405 4.527 4.120 0.004 0.000 0.212 150 V C 0.390 176.601 176.094 0.196 0.000 1.381 150 V CA 0.433 62.833 62.300 0.166 0.000 1.322 150 V CB 0.205 32.091 31.823 0.105 0.000 1.188 150 V HN 0.125 nan 8.190 nan 0.000 0.520 151 I N 0.876 121.455 120.570 0.015 0.000 2.336 151 I HA 0.474 4.646 4.170 0.004 0.000 0.292 151 I C 0.042 176.062 176.117 -0.162 0.000 0.991 151 I CA 0.084 61.391 61.300 0.012 0.000 1.227 151 I CB 1.080 39.042 38.000 -0.062 0.000 1.366 151 I HN 0.231 nan 8.210 nan 0.000 0.466 152 H N 2.454 121.518 119.070 -0.009 0.000 2.567 152 H HA 0.379 4.938 4.556 0.005 0.000 0.267 152 H C -0.484 174.830 175.328 -0.023 0.000 1.148 152 H CA -0.334 55.709 56.048 -0.008 0.000 1.031 152 H CB 0.320 30.098 29.762 0.028 0.000 1.691 152 H HN 0.468 nan 8.280 nan 0.000 0.588 153 S N -0.400 115.318 115.700 0.030 0.000 2.513 153 S HA 0.532 5.004 4.470 0.004 0.000 0.299 153 S C -2.918 171.644 174.600 -0.063 0.000 1.087 153 S CA -1.931 56.267 58.200 -0.004 0.000 1.012 153 S CB 2.590 65.792 63.200 0.004 0.000 1.044 153 S HN -0.130 nan 8.310 nan 0.000 0.485 154 P HA 0.113 nan 4.420 nan 0.000 0.265 154 P C -0.697 176.536 177.300 -0.112 0.000 1.187 154 P CA 0.091 63.134 63.100 -0.095 0.000 0.766 154 P CB 0.306 31.965 31.700 -0.068 0.000 0.820 155 L N 4.505 125.640 121.223 -0.147 0.000 2.416 155 L HA 0.456 4.799 4.340 0.004 0.000 0.262 155 L C -1.629 175.146 176.870 -0.158 0.000 1.093 155 L CA -2.183 52.549 54.840 -0.181 0.000 0.801 155 L CB 0.289 42.205 42.059 -0.238 0.000 1.191 155 L HN 0.286 nan 8.230 nan 0.000 0.459 156 P HA 0.012 nan 4.420 nan 0.000 0.268 156 P C -1.134 176.092 177.300 -0.122 0.000 1.205 156 P CA -0.454 62.562 63.100 -0.142 0.000 0.771 156 P CB 0.400 32.002 31.700 -0.163 0.000 0.858 157 Q N 1.451 121.206 119.800 -0.075 0.000 2.618 157 Q HA -0.049 4.294 4.340 0.004 0.000 0.344 157 Q C 1.530 177.500 176.000 -0.050 0.000 1.073 157 Q CA 1.556 57.330 55.803 -0.048 0.000 1.105 157 Q CB -0.988 27.733 28.738 -0.029 0.000 1.028 157 Q HN 0.946 nan 8.270 nan 0.000 0.397 158 G N 2.506 111.288 108.800 -0.030 0.000 2.205 158 G HA2 -0.379 3.583 3.960 0.004 0.000 0.269 158 G HA3 -0.379 3.583 3.960 0.004 0.000 0.269 158 G C 0.225 175.098 174.900 -0.045 0.000 0.977 158 G CA 0.904 45.992 45.100 -0.020 0.000 0.652 158 G HN 0.639 nan 8.290 nan 0.000 0.539 159 Q N 0.310 120.029 119.800 -0.135 0.000 2.295 159 Q HA 0.429 4.772 4.340 0.004 0.000 0.259 159 Q C 0.509 176.351 176.000 -0.264 0.000 0.976 159 Q CA -0.199 55.435 55.803 -0.282 0.000 0.923 159 Q CB 0.231 28.629 28.738 -0.567 0.000 1.185 159 Q HN 0.572 nan 8.270 nan 0.000 0.410 160 Q N 6.336 126.073 119.800 -0.105 0.000 2.735 160 Q HA 0.229 4.572 4.340 0.004 0.000 0.380 160 Q C -1.227 174.901 176.000 0.213 0.000 1.060 160 Q CA -0.263 55.581 55.803 0.069 0.000 1.025 160 Q CB 0.245 29.088 28.738 0.175 0.000 1.350 160 Q HN 0.537 nan 8.270 nan 0.000 0.424 161 W N -1.258 120.058 121.300 0.028 0.000 3.161 161 W HA 0.225 4.887 4.660 0.004 0.000 0.314 161 W C -0.168 176.332 176.519 -0.031 0.000 1.245 161 W CA -0.599 56.749 57.345 0.005 0.000 1.191 161 W CB 0.434 29.911 29.460 0.028 0.000 1.392 161 W HN 0.034 nan 8.180 nan 0.000 0.568 162 T N -1.660 113.065 114.554 0.285 0.000 3.018 162 T HA 0.370 4.723 4.350 0.004 0.000 0.246 162 T C 0.489 175.380 174.700 0.319 0.000 1.026 162 T CA 0.241 62.423 62.100 0.136 0.000 1.081 162 T CB 0.841 69.710 68.868 0.001 0.000 0.970 162 T HN 0.420 nan 8.240 nan 0.000 0.475 163 R N 0.094 120.854 120.500 0.433 0.000 2.764 163 R HA 0.627 4.970 4.340 0.004 0.000 0.270 163 R C -1.488 174.892 176.300 0.132 0.000 1.014 163 R CA -0.756 55.530 56.100 0.310 0.000 0.904 163 R CB 2.051 32.458 30.300 0.179 0.000 1.236 163 R HN 0.246 nan 8.270 nan 0.000 0.466 164 E N 1.509 121.707 120.200 -0.004 0.000 2.256 164 E HA 0.533 4.886 4.350 0.004 0.000 0.267 164 E C -1.054 175.513 176.600 -0.055 0.000 0.892 164 E CA -0.747 55.551 56.400 -0.170 0.000 0.775 164 E CB 2.439 31.955 29.700 -0.307 0.000 1.207 164 E HN 0.218 nan 8.360 nan 0.000 0.420 165 L N 1.889 123.080 121.223 -0.054 0.000 2.410 165 L HA 0.359 4.702 4.340 0.004 0.000 0.270 165 L C -0.347 176.501 176.870 -0.036 0.000 0.983 165 L CA -1.069 53.767 54.840 -0.006 0.000 0.822 165 L CB 1.960 44.049 42.059 0.050 0.000 1.285 165 L HN 0.519 nan 8.230 nan 0.000 0.409 166 E N 3.454 123.639 120.200 -0.025 0.000 2.415 166 E HA 0.179 4.532 4.350 0.004 0.000 0.263 166 E C -0.830 175.761 176.600 -0.016 0.000 0.995 166 E CA 0.401 56.784 56.400 -0.028 0.000 0.915 166 E CB 0.814 30.503 29.700 -0.018 0.000 0.951 166 E HN 0.487 nan 8.360 nan 0.000 0.449 167 M N 4.847 124.436 119.600 -0.018 0.000 2.383 167 M HA 0.416 4.898 4.480 0.004 0.000 0.325 167 M C -1.668 174.633 176.300 0.003 0.000 1.092 167 M CA -0.979 54.320 55.300 -0.001 0.000 0.961 167 M CB 1.533 34.132 32.600 -0.002 0.000 1.672 167 M HN 0.320 nan 8.290 nan 0.000 0.438 168 V N 5.742 125.662 119.914 0.010 0.000 2.313 168 V HA 0.315 4.437 4.120 0.004 0.000 0.278 168 V C -0.463 175.594 176.094 -0.062 0.000 1.017 168 V CA -0.703 61.585 62.300 -0.019 0.000 0.823 168 V CB 1.221 33.037 31.823 -0.012 0.000 1.010 168 V HN 0.677 nan 8.190 nan 0.000 0.443 169 V N 5.076 124.921 119.914 -0.115 0.000 2.258 169 V HA 0.388 4.510 4.120 0.004 0.000 0.258 169 V C 0.045 176.005 176.094 -0.224 0.000 1.121 169 V CA -0.304 61.834 62.300 -0.270 0.000 0.942 169 V CB 0.245 31.882 31.823 -0.310 0.000 1.170 169 V HN 0.772 nan 8.190 nan 0.000 0.487 170 E N 3.394 123.479 120.200 -0.191 0.000 2.155 170 E HA 0.380 4.733 4.350 0.004 0.000 0.264 170 E C -0.008 176.513 176.600 -0.132 0.000 0.886 170 E CA -0.545 55.776 56.400 -0.132 0.000 0.752 170 E CB 1.297 30.949 29.700 -0.080 0.000 1.133 170 E HN 0.705 nan 8.360 nan 0.000 0.414 171 N N 1.996 120.625 118.700 -0.117 0.000 2.780 171 N HA -0.256 4.487 4.740 0.004 0.000 0.247 171 N C 0.775 176.215 175.510 -0.117 0.000 1.076 171 N CA 0.123 53.118 53.050 -0.092 0.000 0.688 171 N CB -0.808 37.642 38.487 -0.062 0.000 0.957 171 N HN 0.908 nan 8.380 nan 0.000 0.551 172 G N -1.225 107.472 108.800 -0.173 0.000 2.302 172 G HA2 -0.433 3.530 3.960 0.004 0.000 0.263 172 G HA3 -0.433 3.530 3.960 0.004 0.000 0.263 172 G C 0.548 175.288 174.900 -0.266 0.000 0.995 172 G CA 0.656 45.642 45.100 -0.190 0.000 0.622 172 G HN 0.615 nan 8.290 nan 0.000 0.538 173 C N 0.707 119.870 119.300 -0.228 0.000 2.536 173 C HA 0.674 5.137 4.460 0.004 0.000 0.396 173 C C 0.003 174.869 174.990 -0.206 0.000 1.279 173 C CA -0.536 58.407 59.018 -0.125 0.000 2.148 173 C CB -0.368 27.337 27.740 -0.058 0.000 2.584 173 C HN 0.332 nan 8.230 nan 0.000 0.579 174 Y N 1.605 121.935 120.300 0.051 0.000 2.341 174 Y HA 0.475 5.028 4.550 0.005 0.000 0.338 174 Y C 0.637 176.654 175.900 0.195 0.000 0.965 174 Y CA -0.319 57.834 58.100 0.089 0.000 1.108 174 Y CB 1.585 40.092 38.460 0.078 0.000 1.180 174 Y HN 0.544 nan 8.280 nan 0.000 0.458 175 T N 4.692 119.392 114.554 0.243 0.000 2.876 175 T HA 0.663 5.015 4.350 0.004 0.000 0.289 175 T C -0.754 174.031 174.700 0.142 0.000 1.014 175 T CA -0.759 61.469 62.100 0.212 0.000 0.986 175 T CB 1.180 70.110 68.868 0.103 0.000 1.021 175 T HN 0.359 nan 8.240 nan 0.000 0.458 176 L N 2.312 123.623 121.223 0.146 0.000 2.334 176 L HA 0.647 4.989 4.340 0.004 0.000 0.276 176 L C -0.028 176.868 176.870 0.044 0.000 1.014 176 L CA -1.019 53.856 54.840 0.058 0.000 0.815 176 L CB 1.471 43.545 42.059 0.026 0.000 1.268 176 L HN 0.199 nan 8.230 nan 0.000 0.428 177 K N 2.282 122.704 120.400 0.037 0.000 2.358 177 K HA 0.258 4.581 4.320 0.004 0.000 0.260 177 K C -1.233 175.416 176.600 0.082 0.000 0.956 177 K CA -0.600 55.716 56.287 0.049 0.000 0.834 177 K CB 1.607 34.127 32.500 0.033 0.000 1.102 177 K HN 0.506 nan 8.250 nan 0.000 0.431 178 D N 1.178 121.661 120.400 0.139 0.000 2.339 178 D HA 0.001 4.644 4.640 0.004 0.000 0.245 178 D C 1.128 177.530 176.300 0.170 0.000 1.115 178 D CA 0.130 54.287 54.000 0.262 0.000 0.917 178 D CB 1.251 42.354 40.800 0.504 0.000 1.192 178 D HN 0.606 nan 8.370 nan 0.000 0.428 179 T N -0.261 114.348 114.554 0.091 0.000 3.072 179 T HA 0.030 4.382 4.350 0.004 0.000 0.266 179 T C 0.879 175.438 174.700 -0.235 0.000 1.127 179 T CA 0.406 62.423 62.100 -0.138 0.000 1.107 179 T CB -0.434 68.255 68.868 -0.297 0.000 0.910 179 T HN 0.228 nan 8.240 nan 0.000 0.513 180 F N 2.648 122.651 119.950 0.088 0.000 2.378 180 F HA 0.418 4.948 4.527 0.004 0.000 0.325 180 F C 1.265 177.089 175.800 0.039 0.000 1.097 180 F CA -1.319 56.697 58.000 0.027 0.000 1.079 180 F CB 0.973 39.952 39.000 -0.034 0.000 1.240 180 F HN 0.055 nan 8.300 nan 0.000 0.519 181 D N -1.209 119.320 120.400 0.215 0.000 2.349 181 D HA 0.017 4.659 4.640 0.004 0.000 0.214 181 D C -0.060 176.299 176.300 0.100 0.000 1.063 181 D CA 0.118 54.191 54.000 0.122 0.000 0.847 181 D CB -0.384 40.460 40.800 0.073 0.000 0.933 181 D HN 0.510 nan 8.370 nan 0.000 0.513 182 D N -0.354 120.111 120.400 0.107 0.000 2.865 182 D HA 0.084 4.727 4.640 0.004 0.000 0.347 182 D C -0.602 175.735 176.300 0.062 0.000 1.498 182 D CA -0.457 53.576 54.000 0.056 0.000 0.787 182 D CB -0.489 40.316 40.800 0.009 0.000 1.190 182 D HN 0.051 nan 8.370 nan 0.000 0.445 183 T N -2.448 112.194 114.554 0.146 0.000 2.881 183 T HA 0.597 4.950 4.350 0.004 0.000 0.290 183 T C -0.312 174.541 174.700 0.256 0.000 1.000 183 T CA -0.446 61.800 62.100 0.245 0.000 0.978 183 T CB 1.817 70.923 68.868 0.396 0.000 0.997 183 T HN -0.096 nan 8.240 nan 0.000 0.443 184 T N 4.026 118.709 114.554 0.216 0.000 2.799 184 T HA 0.484 4.836 4.350 0.004 0.000 0.286 184 T C 0.186 174.902 174.700 0.028 0.000 0.973 184 T CA -0.548 61.607 62.100 0.092 0.000 1.035 184 T CB 0.368 69.255 68.868 0.033 0.000 0.932 184 T HN 0.608 nan 8.240 nan 0.000 0.469 185 I N 4.324 124.793 120.570 -0.168 0.000 2.315 185 I HA 0.192 4.364 4.170 0.004 0.000 0.291 185 I C 1.162 177.048 176.117 -0.384 0.000 1.006 185 I CA -0.403 60.606 61.300 -0.485 0.000 1.265 185 I CB 1.311 38.989 38.000 -0.537 0.000 1.387 185 I HN 0.618 nan 8.210 nan 0.000 0.475 186 L N 6.126 127.060 121.223 -0.482 0.000 2.023 186 L HA 0.147 4.489 4.340 0.004 0.000 0.205 186 L C 1.142 177.483 176.870 -0.882 0.000 1.073 186 L CA 0.870 55.282 54.840 -0.714 0.000 0.745 186 L CB -0.387 41.042 42.059 -1.049 0.000 0.900 186 L HN 0.832 nan 8.230 nan 0.000 0.435 187 G N -2.379 105.906 108.800 -0.857 0.000 2.343 187 G HA2 0.152 4.114 3.960 0.004 0.000 0.289 187 G HA3 0.152 4.114 3.960 0.004 0.000 0.289 187 G C -2.274 172.630 174.900 0.007 0.000 1.295 187 G CA -0.475 44.323 45.100 -0.503 0.000 0.869 187 G HN 0.172 nan 8.290 nan 0.000 0.522 188 W N -1.102 120.343 121.300 0.240 0.000 2.703 188 W HA 0.889 5.552 4.660 0.004 0.000 0.359 188 W C -0.140 176.653 176.519 0.457 0.000 1.168 188 W CA -1.236 56.266 57.345 0.262 0.000 1.177 188 W CB 1.148 30.673 29.460 0.109 0.000 1.434 188 W HN 0.505 nan 8.180 nan 0.000 0.618 189 M N 1.828 121.772 119.600 0.573 0.000 2.501 189 M HA 0.564 5.047 4.480 0.004 0.000 0.293 189 M C -1.198 175.339 176.300 0.394 0.000 1.192 189 M CA -0.752 54.804 55.300 0.426 0.000 0.886 189 M CB 2.576 35.302 32.600 0.210 0.000 1.710 189 M HN 0.421 nan 8.290 nan 0.000 0.457 190 I N 1.327 122.147 120.570 0.416 0.000 2.686 190 I HA 0.261 4.434 4.170 0.004 0.000 0.295 190 I C -0.497 175.746 176.117 0.210 0.000 1.114 190 I CA -0.821 60.651 61.300 0.288 0.000 1.038 190 I CB 2.358 40.522 38.000 0.273 0.000 1.238 190 I HN 0.598 nan 8.210 nan 0.000 0.420 191 Q N 4.899 124.775 119.800 0.127 0.000 2.369 191 Q HA 0.314 4.657 4.340 0.004 0.000 0.247 191 Q C -1.042 175.009 176.000 0.084 0.000 1.083 191 Q CA 0.518 56.379 55.803 0.097 0.000 0.905 191 Q CB 0.942 29.722 28.738 0.069 0.000 1.305 191 Q HN 0.813 nan 8.270 nan 0.000 0.465 192 T N 2.061 116.675 114.554 0.099 0.000 2.886 192 T HA 0.217 4.570 4.350 0.004 0.000 0.330 192 T C 0.088 174.831 174.700 0.072 0.000 1.488 192 T CA -0.412 61.739 62.100 0.085 0.000 1.054 192 T CB 1.251 70.185 68.868 0.111 0.000 1.348 192 T HN 0.613 nan 8.240 nan 0.000 0.489 193 E N 0.689 120.919 120.200 0.051 0.000 2.170 193 E HA 0.004 4.356 4.350 0.004 0.000 0.191 193 E C 0.068 176.686 176.600 0.030 0.000 0.981 193 E CA 0.071 56.491 56.400 0.033 0.000 0.830 193 E CB 0.192 29.904 29.700 0.020 0.000 0.775 193 E HN 0.534 nan 8.360 nan 0.000 0.470 194 D N 1.359 121.786 120.400 0.045 0.000 2.389 194 D HA -0.065 4.578 4.640 0.004 0.000 0.263 194 D C 0.760 177.101 176.300 0.068 0.000 1.255 194 D CA 0.405 54.431 54.000 0.042 0.000 0.914 194 D CB 0.922 41.752 40.800 0.050 0.000 1.116 194 D HN 0.065 nan 8.370 nan 0.000 0.502 195 T N 0.618 115.181 114.554 0.015 0.000 3.129 195 T HA 0.022 4.375 4.350 0.004 0.000 0.251 195 T C 0.764 175.463 174.700 -0.001 0.000 1.117 195 T CA -0.391 61.703 62.100 -0.010 0.000 1.034 195 T CB -0.027 68.813 68.868 -0.047 0.000 0.968 195 T HN 0.457 nan 8.240 nan 0.000 0.526 196 E N 0.482 120.675 120.200 -0.013 0.000 2.414 196 E HA 0.038 4.391 4.350 0.004 0.000 0.263 196 E C -0.381 176.266 176.600 0.078 0.000 1.000 196 E CA -0.242 56.075 56.400 -0.137 0.000 0.914 196 E CB 0.053 29.512 29.700 -0.401 0.000 0.948 196 E HN 0.597 nan 8.360 nan 0.000 0.444 197 Y N 0.249 120.647 120.300 0.162 0.000 4.784 197 Y HA -0.377 4.176 4.550 0.004 0.000 0.278 197 Y C 0.818 176.849 175.900 0.219 0.000 0.980 197 Y CA 0.491 58.719 58.100 0.213 0.000 1.845 197 Y CB -1.792 36.836 38.460 0.280 0.000 1.177 197 Y HN 0.594 nan 8.280 nan 0.000 0.460 198 S N 1.795 117.615 115.700 0.199 0.000 2.592 198 S HA 0.566 5.039 4.470 0.004 0.000 0.271 198 S C -0.054 174.403 174.600 -0.238 0.000 1.326 198 S CA -0.670 57.300 58.200 -0.382 0.000 1.024 198 S CB 1.622 64.422 63.200 -0.666 0.000 0.921 198 S HN 0.352 nan 8.310 nan 0.000 0.527 199 L N -0.545 120.487 121.223 -0.320 0.000 2.416 199 L HA 0.755 5.098 4.340 0.004 0.000 0.262 199 L C -2.179 174.569 176.870 -0.203 0.000 1.093 199 L CA -2.103 52.621 54.840 -0.193 0.000 0.801 199 L CB -1.018 40.954 42.059 -0.144 0.000 1.191 199 L HN 0.459 nan 8.230 nan 0.000 0.459 200 P HA 0.107 nan 4.420 nan 0.000 0.274 200 P C -1.160 176.055 177.300 -0.142 0.000 1.246 200 P CA -0.571 62.450 63.100 -0.130 0.000 0.795 200 P CB 0.657 32.303 31.700 -0.091 0.000 1.006 201 Q N 1.467 121.184 119.800 -0.139 0.000 2.271 201 Q HA 0.176 4.519 4.340 0.004 0.000 0.273 201 Q C -1.955 173.986 176.000 -0.098 0.000 1.051 201 Q CA -1.441 54.281 55.803 -0.135 0.000 0.901 201 Q CB -0.323 28.325 28.738 -0.150 0.000 1.174 201 Q HN 0.250 nan 8.270 nan 0.000 0.385 202 P HA -0.070 nan 4.420 nan 0.000 0.261 202 P C -1.305 175.981 177.300 -0.024 0.000 1.183 202 P CA 0.431 63.517 63.100 -0.023 0.000 0.761 202 P CB 0.514 32.228 31.700 0.024 0.000 0.785 203 E N 2.834 123.023 120.200 -0.020 0.000 2.171 203 E HA 0.342 4.695 4.350 0.004 0.000 0.271 203 E C -0.523 176.084 176.600 0.012 0.000 0.916 203 E CA -0.857 55.532 56.400 -0.019 0.000 0.774 203 E CB 0.950 30.631 29.700 -0.031 0.000 1.128 203 E HN 0.303 nan 8.360 nan 0.000 0.403 204 I N 2.967 123.553 120.570 0.027 0.000 2.581 204 I HA 0.213 4.385 4.170 0.004 0.000 0.288 204 I C -0.029 176.108 176.117 0.034 0.000 1.047 204 I CA -0.108 61.215 61.300 0.039 0.000 1.374 204 I CB 0.979 39.010 38.000 0.052 0.000 1.423 204 I HN 0.682 nan 8.210 nan 0.000 0.549 205 A N 5.315 128.154 122.820 0.031 0.000 2.520 205 A HA 0.313 4.635 4.320 0.004 0.000 0.245 205 A C 1.360 178.962 177.584 0.030 0.000 1.072 205 A CA 0.367 52.420 52.037 0.027 0.000 0.761 205 A CB 0.034 19.049 19.000 0.023 0.000 1.004 205 A HN 1.015 nan 8.150 nan 0.000 0.499 206 G N 0.660 109.477 108.800 0.029 0.000 2.442 206 G HA2 -0.183 3.780 3.960 0.004 0.000 0.219 206 G HA3 -0.183 3.780 3.960 0.004 0.000 0.219 206 G C 1.189 176.105 174.900 0.026 0.000 1.141 206 G CA 0.985 46.104 45.100 0.032 0.000 0.763 206 G HN 0.761 nan 8.290 nan 0.000 0.554 207 E N 0.350 120.563 120.200 0.020 0.000 2.110 207 E HA -0.011 4.342 4.350 0.004 0.000 0.193 207 E C 2.652 179.264 176.600 0.019 0.000 0.988 207 E CA 0.404 56.815 56.400 0.018 0.000 0.804 207 E CB -0.265 29.445 29.700 0.016 0.000 0.745 207 E HN 0.461 nan 8.360 nan 0.000 0.458 208 L N 0.262 121.498 121.223 0.022 0.000 2.362 208 L HA -0.088 4.254 4.340 0.004 0.000 0.219 208 L C 2.035 178.915 176.870 0.017 0.000 1.134 208 L CA 0.458 55.312 54.840 0.022 0.000 0.807 208 L CB -0.163 41.912 42.059 0.027 0.000 0.927 208 L HN 0.049 nan 8.230 nan 0.000 0.447 209 L N -0.546 120.687 121.223 0.017 0.000 2.611 209 L HA 0.091 4.433 4.340 0.004 0.000 0.229 209 L C 0.551 177.426 176.870 0.008 0.000 1.137 209 L CA 0.004 54.850 54.840 0.010 0.000 0.901 209 L CB -0.136 41.936 42.059 0.023 0.000 1.098 209 L HN 0.095 nan 8.230 nan 0.000 0.456 210 K N 1.429 121.836 120.400 0.010 0.000 2.249 210 K HA 0.403 4.725 4.320 0.004 0.000 0.280 210 K C -0.214 176.389 176.600 0.004 0.000 1.033 210 K CA -0.318 55.974 56.287 0.008 0.000 0.946 210 K CB 2.139 34.646 32.500 0.011 0.000 1.005 210 K HN 0.044 nan 8.250 nan 0.000 0.469 211 I N 1.967 122.534 120.570 -0.006 0.000 2.396 211 I HA 0.058 4.231 4.170 0.004 0.000 0.292 211 I C 0.382 176.520 176.117 0.035 0.000 0.999 211 I CA -0.055 61.240 61.300 -0.008 0.000 1.310 211 I CB 1.339 39.294 38.000 -0.073 0.000 1.404 211 I HN 0.610 nan 8.210 nan 0.000 0.496 212 S N 3.489 119.242 115.700 0.089 0.000 2.546 212 S HA 0.706 5.179 4.470 0.004 0.000 0.274 212 S C -0.318 174.391 174.600 0.183 0.000 1.121 212 S CA -0.910 57.361 58.200 0.119 0.000 0.887 212 S CB 1.582 64.817 63.200 0.058 0.000 1.094 212 S HN 0.773 nan 8.310 nan 0.000 0.474 213 G N 0.341 109.257 108.800 0.193 0.000 2.569 213 G HA2 0.647 4.610 3.960 0.004 0.000 0.249 213 G HA3 0.647 4.610 3.960 0.004 0.000 0.249 213 G C -0.184 174.623 174.900 -0.156 0.000 1.216 213 G CA -0.242 44.900 45.100 0.070 0.000 0.845 213 G HN 1.415 nan 8.290 nan 0.000 0.568 214 A N 0.989 123.529 122.820 -0.466 0.000 2.609 214 A HA 0.895 5.217 4.320 0.004 0.000 0.291 214 A C -0.435 176.826 177.584 -0.538 0.000 1.096 214 A CA -0.796 50.879 52.037 -0.604 0.000 0.684 214 A CB 1.725 20.053 19.000 -1.119 0.000 1.282 214 A HN 0.660 nan 8.150 nan 0.000 0.412 215 R N 0.267 120.651 120.500 -0.193 0.000 2.673 215 R HA 0.582 4.925 4.340 0.004 0.000 0.281 215 R C -1.301 175.198 176.300 0.331 0.000 0.991 215 R CA -0.675 55.499 56.100 0.125 0.000 0.896 215 R CB 1.874 32.249 30.300 0.126 0.000 1.201 215 R HN 0.697 nan 8.270 nan 0.000 0.457 216 L N 1.668 123.161 121.223 0.450 0.000 2.416 216 L HA 0.322 4.665 4.340 0.004 0.000 0.262 216 L C 0.593 177.603 176.870 0.233 0.000 1.093 216 L CA -0.567 54.490 54.840 0.362 0.000 0.801 216 L CB 0.872 43.143 42.059 0.354 0.000 1.191 216 L HN 0.593 nan 8.230 nan 0.000 0.459 217 E N 0.475 120.753 120.200 0.130 0.000 2.259 217 E HA 0.089 4.442 4.350 0.004 0.000 0.281 217 E C -0.614 175.994 176.600 0.014 0.000 1.037 217 E CA -0.654 55.772 56.400 0.044 0.000 0.854 217 E CB 0.584 30.289 29.700 0.007 0.000 1.051 217 E HN 0.310 nan 8.360 nan 0.000 0.409 218 N N 3.584 122.210 118.700 -0.123 0.000 2.400 218 N HA -0.012 4.731 4.740 0.004 0.000 0.267 218 N C -0.620 174.783 175.510 -0.179 0.000 1.208 218 N CA 0.070 52.912 53.050 -0.347 0.000 0.951 218 N CB 0.447 38.579 38.487 -0.592 0.000 1.227 218 N HN 0.464 nan 8.380 nan 0.000 0.488 219 K N 1.721 122.074 120.400 -0.078 0.000 2.758 219 K HA 0.156 4.479 4.320 0.004 0.000 0.208 219 K C 0.314 176.901 176.600 -0.021 0.000 1.091 219 K CA -0.333 55.922 56.287 -0.053 0.000 1.059 219 K CB 0.306 32.777 32.500 -0.047 0.000 0.801 219 K HN 0.702 nan 8.250 nan 0.000 0.470 220 G N 2.294 111.098 108.800 0.007 0.000 2.305 220 G HA2 -0.317 3.646 3.960 0.004 0.000 0.287 220 G HA3 -0.317 3.646 3.960 0.004 0.000 0.287 220 G C 0.561 175.508 174.900 0.079 0.000 1.036 220 G CA 0.525 45.684 45.100 0.099 0.000 0.887 220 G HN 0.402 nan 8.290 nan 0.000 0.505 221 Q N -1.171 118.650 119.800 0.035 0.000 2.230 221 Q HA 0.227 4.570 4.340 0.004 0.000 0.202 221 Q C 1.533 177.109 176.000 -0.707 0.000 0.963 221 Q CA 1.247 56.808 55.803 -0.404 0.000 0.866 221 Q CB 0.056 28.370 28.738 -0.707 0.000 0.931 221 Q HN 0.707 nan 8.270 nan 0.000 0.452 222 F N 0.044 119.905 119.950 -0.149 0.000 2.772 222 F HA 0.228 4.758 4.527 0.004 0.000 0.302 222 F C -0.155 175.670 175.800 0.042 0.000 1.136 222 F CA -0.572 57.226 58.000 -0.336 0.000 1.322 222 F CB 0.729 39.233 39.000 -0.827 0.000 0.967 222 F HN -0.166 nan 8.300 nan 0.000 0.513 223 D N 1.349 121.888 120.400 0.231 0.000 2.767 223 D HA 0.481 5.124 4.640 0.004 0.000 0.241 223 D C 0.778 177.199 176.300 0.203 0.000 1.187 223 D CA 0.469 54.605 54.000 0.225 0.000 0.999 223 D CB 0.448 41.352 40.800 0.173 0.000 1.042 223 D HN 0.485 nan 8.370 nan 0.000 0.510 224 G N 0.180 109.145 108.800 0.275 0.000 2.439 224 G HA2 -0.049 3.913 3.960 0.004 0.000 0.186 224 G HA3 -0.049 3.913 3.960 0.004 0.000 0.186 224 G C -0.928 174.120 174.900 0.246 0.000 1.260 224 G CA -0.839 44.389 45.100 0.213 0.000 1.020 224 G HN 0.084 nan 8.290 nan 0.000 0.470 225 K N 2.449 122.935 120.400 0.144 0.000 2.535 225 K HA 0.172 4.494 4.320 0.004 0.000 0.242 225 K C 1.195 177.820 176.600 0.041 0.000 1.210 225 K CA -0.504 55.804 56.287 0.036 0.000 1.178 225 K CB 0.072 32.570 32.500 -0.004 0.000 1.778 225 K HN 0.616 nan 8.250 nan 0.000 0.372 226 W N 1.472 122.813 121.300 0.068 0.000 2.519 226 W HA -0.014 4.649 4.660 0.004 0.000 0.266 226 W C -0.055 176.501 176.519 0.061 0.000 1.253 226 W CA -0.158 57.218 57.345 0.052 0.000 1.274 226 W CB -0.443 29.076 29.460 0.099 0.000 1.114 226 W HN 0.113 nan 8.180 nan 0.000 0.596 227 L N 3.223 124.032 121.223 -0.690 0.000 2.319 227 L HA 0.045 4.387 4.340 0.004 0.000 0.280 227 L C 0.415 177.142 176.870 -0.239 0.000 1.099 227 L CA -0.211 54.286 54.840 -0.571 0.000 0.828 227 L CB 0.319 41.903 42.059 -0.791 0.000 1.150 227 L HN -0.272 nan 8.230 nan 0.000 0.442 228 D N 4.143 124.471 120.400 -0.119 0.000 2.356 228 D HA -0.076 4.567 4.640 0.004 0.000 0.272 228 D C 0.861 177.122 176.300 -0.065 0.000 1.337 228 D CA 0.444 54.408 54.000 -0.059 0.000 0.970 228 D CB 0.586 41.373 40.800 -0.021 0.000 1.092 228 D HN 0.483 nan 8.370 nan 0.000 0.516 229 E N 2.653 122.818 120.200 -0.059 0.000 2.512 229 E HA -0.070 4.283 4.350 0.004 0.000 0.195 229 E C 1.136 177.723 176.600 -0.022 0.000 1.083 229 E CA 0.137 56.511 56.400 -0.044 0.000 0.873 229 E CB 0.435 30.111 29.700 -0.040 0.000 0.897 229 E HN 0.343 nan 8.360 nan 0.000 0.514 230 K N 0.680 121.070 120.400 -0.017 0.000 2.186 230 K HA -0.019 4.304 4.320 0.004 0.000 0.202 230 K C 0.659 177.257 176.600 -0.003 0.000 1.052 230 K CA 0.396 56.678 56.287 -0.007 0.000 0.965 230 K CB -0.117 32.380 32.500 -0.004 0.000 0.746 230 K HN 0.040 nan 8.250 nan 0.000 0.457 231 D N 1.469 121.866 120.400 -0.005 0.000 2.317 231 D HA 0.078 4.721 4.640 0.004 0.000 0.252 231 D C -1.919 174.387 176.300 0.010 0.000 1.174 231 D CA -2.304 51.698 54.000 0.004 0.000 0.866 231 D CB 1.645 42.448 40.800 0.005 0.000 1.127 231 D HN -0.189 nan 8.370 nan 0.000 0.467 232 P HA -0.148 nan 4.420 nan 0.000 0.215 232 P C 1.589 178.918 177.300 0.050 0.000 1.153 232 P CA 0.274 63.392 63.100 0.030 0.000 0.853 232 P CB 0.261 31.979 31.700 0.029 0.000 0.788 233 L N -0.006 121.253 121.223 0.060 0.000 1.994 233 L HA -0.196 4.146 4.340 0.004 0.000 0.208 233 L C 2.129 179.047 176.870 0.079 0.000 1.071 233 L CA 2.140 57.040 54.840 0.100 0.000 0.745 233 L CB -1.567 40.565 42.059 0.123 0.000 0.892 233 L HN 0.078 nan 8.230 nan 0.000 0.431 234 Q N -0.878 118.935 119.800 0.023 0.000 2.084 234 Q HA -0.225 4.117 4.340 0.004 0.000 0.202 234 Q C 2.007 178.006 176.000 -0.003 0.000 0.978 234 Q CA 1.519 57.301 55.803 -0.036 0.000 0.844 234 Q CB -0.167 28.523 28.738 -0.080 0.000 0.898 234 Q HN 0.528 nan 8.270 nan 0.000 0.426 235 N N 0.218 118.920 118.700 0.003 0.000 2.223 235 N HA -0.122 4.620 4.740 0.004 0.000 0.185 235 N C 1.572 177.102 175.510 0.034 0.000 1.016 235 N CA 1.148 54.201 53.050 0.006 0.000 0.863 235 N CB 0.061 38.550 38.487 0.003 0.000 0.983 235 N HN 0.217 nan 8.380 nan 0.000 0.429 236 A N -0.175 122.689 122.820 0.072 0.000 1.930 236 A HA -0.167 4.155 4.320 0.004 0.000 0.217 236 A C 2.084 179.736 177.584 0.112 0.000 1.175 236 A CA 0.843 52.949 52.037 0.116 0.000 0.627 236 A CB -0.888 18.223 19.000 0.185 0.000 0.815 236 A HN 0.497 nan 8.150 nan 0.000 0.443 237 Y N 0.653 120.874 120.300 -0.133 0.000 2.145 237 Y HA -0.211 4.341 4.550 0.004 0.000 0.286 237 Y C 2.350 178.121 175.900 -0.216 0.000 1.145 237 Y CA 2.098 59.937 58.100 -0.435 0.000 1.148 237 Y CB -0.345 37.779 38.460 -0.560 0.000 0.981 237 Y HN 0.071 nan 8.280 nan 0.000 0.507 238 V N 0.779 120.699 119.914 0.011 0.000 2.252 238 V HA -0.385 3.738 4.120 0.004 0.000 0.249 238 V C 2.377 178.426 176.094 -0.074 0.000 1.056 238 V CA 2.256 64.537 62.300 -0.033 0.000 1.022 238 V CB -0.841 30.966 31.823 -0.028 0.000 0.641 238 V HN 0.462 nan 8.190 nan 0.000 0.445 239 Q N -0.339 119.439 119.800 -0.037 0.000 2.248 239 Q HA -0.191 4.152 4.340 0.004 0.000 0.208 239 Q C 2.157 178.136 176.000 -0.034 0.000 0.984 239 Q CA 2.018 57.810 55.803 -0.019 0.000 0.875 239 Q CB -0.514 28.231 28.738 0.011 0.000 0.910 239 Q HN 0.724 nan 8.270 nan 0.000 0.433 240 A N -0.285 122.494 122.820 -0.068 0.000 2.197 240 A HA 0.071 4.394 4.320 0.004 0.000 0.210 240 A C 1.275 178.770 177.584 -0.150 0.000 1.180 240 A CA 0.275 52.276 52.037 -0.059 0.000 0.846 240 A CB 0.430 19.479 19.000 0.083 0.000 0.884 240 A HN 0.230 nan 8.150 nan 0.000 0.487 241 N N -1.444 117.093 118.700 -0.271 0.000 2.008 241 N HA 0.258 5.001 4.740 0.004 0.000 0.228 241 N C 0.798 176.244 175.510 -0.107 0.000 1.375 241 N CA 0.877 53.776 53.050 -0.251 0.000 0.856 241 N CB 1.305 39.477 38.487 -0.525 0.000 1.096 241 N HN 0.576 nan 8.380 nan 0.000 0.489 242 G N 1.526 110.278 108.800 -0.081 0.000 2.681 242 G HA2 -0.229 3.734 3.960 0.004 0.000 0.220 242 G HA3 -0.229 3.734 3.960 0.004 0.000 0.220 242 G C -0.701 174.221 174.900 0.037 0.000 1.353 242 G CA -0.599 44.498 45.100 -0.006 0.000 0.872 242 G HN 0.082 nan 8.290 nan 0.000 0.557 243 Q N 0.480 120.309 119.800 0.048 0.000 3.247 243 Q HA 0.398 4.741 4.340 0.004 0.000 0.326 243 Q C 0.489 176.666 176.000 0.295 0.000 1.402 243 Q CA 0.620 56.442 55.803 0.031 0.000 0.994 243 Q CB -0.035 28.727 28.738 0.039 0.000 1.647 243 Q HN 1.530 nan 8.270 nan 0.000 0.523 244 V N -1.898 118.197 119.914 0.303 0.000 2.888 244 V HA 0.517 4.639 4.120 0.004 0.000 0.309 244 V C 0.398 176.703 176.094 0.352 0.000 1.114 244 V CA -0.766 61.738 62.300 0.340 0.000 0.940 244 V CB 1.682 33.622 31.823 0.196 0.000 1.021 244 V HN 0.342 nan 8.190 nan 0.000 0.426 245 I N 0.545 121.274 120.570 0.266 0.000 3.565 245 I HA 0.566 4.739 4.170 0.004 0.000 0.287 245 I C 0.386 176.546 176.117 0.071 0.000 1.193 245 I CA 0.442 61.837 61.300 0.159 0.000 1.402 245 I CB 0.561 38.580 38.000 0.031 0.000 1.284 245 I HN 0.836 nan 8.210 nan 0.000 0.454 246 N N -0.601 118.119 118.700 0.033 0.000 3.020 246 N HA 0.193 4.935 4.740 0.004 0.000 0.248 246 N C -0.186 175.347 175.510 0.038 0.000 1.480 246 N CA -0.799 52.269 53.050 0.031 0.000 0.874 246 N CB 0.747 39.237 38.487 0.006 0.000 1.433 246 N HN 0.016 nan 8.380 nan 0.000 0.530 247 Q N -0.955 118.878 119.800 0.054 0.000 2.045 247 Q HA -0.162 4.180 4.340 0.004 0.000 0.206 247 Q C -0.588 175.450 176.000 0.063 0.000 0.991 247 Q CA 1.921 57.761 55.803 0.062 0.000 0.851 247 Q CB -0.208 28.568 28.738 0.063 0.000 0.911 247 Q HN 0.649 nan 8.270 nan 0.000 0.418 248 D N -0.514 119.924 120.400 0.063 0.000 2.472 248 D HA 0.108 4.751 4.640 0.004 0.000 0.234 248 D C -2.031 174.286 176.300 0.029 0.000 1.088 248 D CA -2.367 51.687 54.000 0.090 0.000 0.882 248 D CB 1.278 42.152 40.800 0.124 0.000 1.037 248 D HN -0.034 nan 8.370 nan 0.000 0.520 249 P HA -0.040 nan 4.420 nan 0.000 0.245 249 P C 0.559 177.695 177.300 -0.273 0.000 1.212 249 P CA 0.295 63.157 63.100 -0.398 0.000 0.774 249 P CB 0.040 31.177 31.700 -0.938 0.000 0.999 250 Y N -1.091 119.290 120.300 0.134 0.000 2.500 250 Y HA 0.080 4.633 4.550 0.004 0.000 0.270 250 Y C 1.440 177.532 175.900 0.320 0.000 1.134 250 Y CA -0.073 58.180 58.100 0.254 0.000 1.293 250 Y CB -0.262 38.314 38.460 0.194 0.000 1.063 250 Y HN 0.078 nan 8.280 nan 0.000 0.534 251 H N 0.067 119.285 119.070 0.246 0.000 2.479 251 H HA 0.426 4.985 4.556 0.004 0.000 0.335 251 H C -0.789 174.591 175.328 0.086 0.000 1.142 251 H CA -1.227 54.871 56.048 0.084 0.000 1.234 251 H CB 0.624 30.338 29.762 -0.080 0.000 1.503 251 H HN 0.065 nan 8.280 nan 0.000 0.510 252 Y N 1.285 121.033 120.300 -0.920 0.000 2.744 252 Y HA 0.540 5.093 4.550 0.004 0.000 0.330 252 Y C -1.952 173.345 175.900 -1.005 0.000 1.263 252 Y CA -1.473 56.120 58.100 -0.846 0.000 1.065 252 Y CB 0.759 39.044 38.460 -0.292 0.000 1.306 252 Y HN 0.541 nan 8.280 nan 0.000 0.459 253 Y N -0.121 120.058 120.300 -0.202 0.000 2.602 253 Y HA 0.757 5.310 4.550 0.004 0.000 0.342 253 Y C -0.059 175.833 175.900 -0.013 0.000 1.029 253 Y CA -0.646 57.348 58.100 -0.177 0.000 1.080 253 Y CB 2.637 41.021 38.460 -0.126 0.000 1.284 253 Y HN 0.808 nan 8.280 nan 0.000 0.485 254 T N -0.163 114.476 114.554 0.141 0.000 2.883 254 T HA 0.846 5.198 4.350 0.004 0.000 0.296 254 T C -1.059 173.662 174.700 0.035 0.000 1.117 254 T CA -0.846 61.303 62.100 0.082 0.000 1.006 254 T CB 1.805 70.730 68.868 0.096 0.000 1.191 254 T HN 0.717 nan 8.240 nan 0.000 0.508 255 I N -1.303 119.261 120.570 -0.010 0.000 2.802 255 I HA 0.694 4.867 4.170 0.004 0.000 0.298 255 I C 0.074 176.178 176.117 -0.023 0.000 1.176 255 I CA -1.159 60.128 61.300 -0.022 0.000 1.025 255 I CB 2.389 40.359 38.000 -0.050 0.000 1.243 255 I HN 0.907 nan 8.210 nan 0.000 0.424 256 T N -0.541 114.013 114.554 -0.001 0.000 2.856 256 T HA 0.100 4.453 4.350 0.004 0.000 0.306 256 T C 0.783 175.494 174.700 0.018 0.000 1.062 256 T CA 0.007 62.118 62.100 0.019 0.000 1.083 256 T CB 1.341 70.227 68.868 0.029 0.000 0.984 256 T HN 0.927 nan 8.240 nan 0.000 0.542 257 E N 0.521 120.756 120.200 0.058 0.000 2.472 257 E HA -0.106 4.246 4.350 0.004 0.000 0.200 257 E C 1.542 178.190 176.600 0.081 0.000 1.046 257 E CA 0.715 57.173 56.400 0.097 0.000 0.871 257 E CB -0.192 29.608 29.700 0.167 0.000 0.806 257 E HN 0.767 nan 8.360 nan 0.000 0.533 258 S N 0.081 115.817 115.700 0.061 0.000 2.446 258 S HA 0.046 4.518 4.470 0.004 0.000 0.225 258 S C 1.919 176.536 174.600 0.028 0.000 1.016 258 S CA 0.547 58.784 58.200 0.061 0.000 0.943 258 S CB 0.331 63.565 63.200 0.056 0.000 0.786 258 S HN 0.394 nan 8.310 nan 0.000 0.508 259 A N 1.941 124.761 122.820 0.001 0.000 1.874 259 A HA -0.008 4.314 4.320 0.004 0.000 0.214 259 A C 2.047 179.584 177.584 -0.079 0.000 1.189 259 A CA 1.090 53.104 52.037 -0.038 0.000 0.615 259 A CB -0.566 18.409 19.000 -0.042 0.000 0.830 259 A HN 0.456 nan 8.150 nan 0.000 0.443 260 E N -0.147 120.013 120.200 -0.067 0.000 2.130 260 E HA -0.285 4.068 4.350 0.004 0.000 0.196 260 E C 2.139 178.633 176.600 -0.177 0.000 0.998 260 E CA 1.632 57.966 56.400 -0.109 0.000 0.806 260 E CB -0.142 29.536 29.700 -0.037 0.000 0.738 260 E HN 0.750 nan 8.360 nan 0.000 0.459 261 Q N -0.165 119.584 119.800 -0.086 0.000 2.119 261 Q HA -0.198 4.145 4.340 0.004 0.000 0.201 261 Q C 2.014 177.955 176.000 -0.099 0.000 0.972 261 Q CA 1.403 57.156 55.803 -0.084 0.000 0.847 261 Q CB -0.014 28.745 28.738 0.034 0.000 0.903 261 Q HN 0.129 nan 8.270 nan 0.000 0.433 262 E N 0.866 121.019 120.200 -0.077 0.000 2.106 262 E HA -0.124 4.229 4.350 0.004 0.000 0.192 262 E C 1.717 178.203 176.600 -0.191 0.000 0.984 262 E CA 0.881 57.237 56.400 -0.072 0.000 0.806 262 E CB -0.159 29.515 29.700 -0.042 0.000 0.750 262 E HN 0.288 nan 8.360 nan 0.000 0.458 263 L N 0.057 121.119 121.223 -0.268 0.000 2.131 263 L HA -0.141 4.202 4.340 0.004 0.000 0.210 263 L C 2.348 179.019 176.870 -0.332 0.000 1.092 263 L CA 1.009 55.619 54.840 -0.383 0.000 0.759 263 L CB -0.386 41.490 42.059 -0.305 0.000 0.903 263 L HN 0.237 nan 8.230 nan 0.000 0.435 264 I N -0.934 119.405 120.570 -0.385 0.000 2.333 264 I HA -0.203 3.969 4.170 0.004 0.000 0.246 264 I C 2.592 178.625 176.117 -0.138 0.000 1.106 264 I CA 0.731 61.806 61.300 -0.375 0.000 1.411 264 I CB -0.248 37.458 38.000 -0.490 0.000 1.082 264 I HN 0.151 nan 8.210 nan 0.000 0.420 265 K N 1.278 121.614 120.400 -0.107 0.000 1.991 265 K HA -0.159 4.164 4.320 0.004 0.000 0.212 265 K C 2.274 178.881 176.600 0.013 0.000 1.049 265 K CA 1.831 58.119 56.287 0.001 0.000 0.932 265 K CB -0.656 31.877 32.500 0.056 0.000 0.717 265 K HN 0.291 nan 8.250 nan 0.000 0.441 266 A N 1.050 123.785 122.820 -0.141 0.000 1.883 266 A HA -0.191 4.132 4.320 0.004 0.000 0.217 266 A C 2.434 179.947 177.584 -0.118 0.000 1.186 266 A CA 2.581 54.392 52.037 -0.377 0.000 0.624 266 A CB -1.167 17.252 19.000 -0.968 0.000 0.822 266 A HN 0.391 nan 8.150 nan 0.000 0.444 267 T N 0.476 115.006 114.554 -0.040 0.000 2.622 267 T HA -0.198 4.155 4.350 0.004 0.000 0.266 267 T C 1.764 176.527 174.700 0.105 0.000 1.047 267 T CA 1.851 64.008 62.100 0.095 0.000 1.159 267 T CB -0.658 68.321 68.868 0.185 0.000 0.863 267 T HN 0.707 nan 8.240 nan 0.000 0.422 268 N N 0.346 119.121 118.700 0.124 0.000 2.149 268 N HA -0.135 4.607 4.740 0.004 0.000 0.188 268 N C 2.070 177.728 175.510 0.246 0.000 1.019 268 N CA 1.074 54.229 53.050 0.176 0.000 0.857 268 N CB -0.076 38.499 38.487 0.146 0.000 0.997 268 N HN 0.541 nan 8.380 nan 0.000 0.426 269 E N 1.211 121.546 120.200 0.225 0.000 2.046 269 E HA -0.089 4.264 4.350 0.004 0.000 0.190 269 E C 1.911 178.584 176.600 0.122 0.000 0.982 269 E CA 0.605 57.163 56.400 0.265 0.000 0.800 269 E CB 0.081 29.934 29.700 0.256 0.000 0.756 269 E HN 0.298 nan 8.360 nan 0.000 0.449 270 L N 0.098 121.366 121.223 0.074 0.000 2.217 270 L HA -0.121 4.221 4.340 0.004 0.000 0.211 270 L C 2.492 179.443 176.870 0.136 0.000 1.107 270 L CA 0.965 55.831 54.840 0.044 0.000 0.783 270 L CB -0.360 41.713 42.059 0.023 0.000 0.919 270 L HN 0.300 nan 8.230 nan 0.000 0.442 271 H N 0.415 119.500 119.070 0.025 0.000 2.321 271 H HA -0.167 4.392 4.556 0.004 0.000 0.300 271 H C 2.134 177.622 175.328 0.266 0.000 1.087 271 H CA 1.767 57.863 56.048 0.080 0.000 1.319 271 H CB -0.002 29.820 29.762 0.100 0.000 1.379 271 H HN 0.162 nan 8.280 nan 0.000 0.501 272 L N -0.683 120.649 121.223 0.181 0.000 2.093 272 L HA -0.167 4.175 4.340 0.004 0.000 0.208 272 L C 2.595 179.589 176.870 0.207 0.000 1.085 272 L CA 1.310 56.271 54.840 0.201 0.000 0.755 272 L CB -0.358 41.915 42.059 0.356 0.000 0.904 272 L HN 0.385 nan 8.230 nan 0.000 0.435 273 M N -1.542 118.128 119.600 0.116 0.000 2.067 273 M HA -0.250 4.232 4.480 0.004 0.000 0.260 273 M C 2.297 178.723 176.300 0.211 0.000 1.069 273 M CA 2.042 57.384 55.300 0.071 0.000 1.117 273 M CB -0.497 31.885 32.600 -0.363 0.000 1.334 273 M HN 0.041 nan 8.290 nan 0.000 0.407 274 Y N 0.552 120.903 120.300 0.085 0.000 2.193 274 Y HA -0.247 4.305 4.550 0.004 0.000 0.285 274 Y C 2.053 178.018 175.900 0.108 0.000 1.166 274 Y CA 1.558 59.743 58.100 0.141 0.000 1.181 274 Y CB -0.552 38.066 38.460 0.264 0.000 0.976 274 Y HN 0.200 nan 8.280 nan 0.000 0.520 275 L N -1.776 119.578 121.223 0.218 0.000 2.131 275 L HA -0.177 4.166 4.340 0.004 0.000 0.206 275 L C 2.287 179.248 176.870 0.152 0.000 1.087 275 L CA 1.472 56.406 54.840 0.157 0.000 0.767 275 L CB -0.806 41.384 42.059 0.218 0.000 0.917 275 L HN 0.221 nan 8.230 nan 0.000 0.441 276 H N 0.733 119.896 119.070 0.155 0.000 2.457 276 H HA -0.112 4.447 4.556 0.004 0.000 0.297 276 H C 2.028 177.394 175.328 0.064 0.000 1.092 276 H CA 1.397 57.541 56.048 0.160 0.000 1.309 276 H CB 0.239 30.162 29.762 0.269 0.000 1.382 276 H HN 0.288 nan 8.280 nan 0.000 0.535 277 A N -1.196 121.604 122.820 -0.034 0.000 1.943 277 A HA -0.027 4.295 4.320 0.004 0.000 0.213 277 A C 2.451 179.905 177.584 -0.215 0.000 1.181 277 A CA 1.203 53.153 52.037 -0.145 0.000 0.653 277 A CB -0.652 18.320 19.000 -0.048 0.000 0.833 277 A HN 0.487 nan 8.150 nan 0.000 0.451 278 T N 0.127 114.533 114.554 -0.246 0.000 2.684 278 T HA -0.181 4.171 4.350 0.004 0.000 0.267 278 T C 1.668 175.942 174.700 -0.710 0.000 1.036 278 T CA 1.946 63.751 62.100 -0.492 0.000 1.148 278 T CB -0.408 68.057 68.868 -0.672 0.000 0.863 278 T HN 0.719 nan 8.240 nan 0.000 0.436 279 D N 0.474 120.515 120.400 -0.598 0.000 2.117 279 D HA -0.110 4.532 4.640 0.004 0.000 0.197 279 D C 2.254 178.405 176.300 -0.249 0.000 0.987 279 D CA 0.930 54.753 54.000 -0.295 0.000 0.829 279 D CB 0.063 40.996 40.800 0.222 0.000 0.961 279 D HN 0.013 nan 8.370 nan 0.000 0.460 280 K N 0.150 120.374 120.400 -0.294 0.000 2.057 280 K HA -0.073 4.250 4.320 0.004 0.000 0.207 280 K C 2.193 178.650 176.600 -0.238 0.000 1.049 280 K CA 0.488 56.615 56.287 -0.266 0.000 0.931 280 K CB -0.576 31.725 32.500 -0.332 0.000 0.714 280 K HN 0.175 nan 8.250 nan 0.000 0.440 281 V N 1.653 121.395 119.914 -0.285 0.000 2.295 281 V HA -0.199 3.923 4.120 0.004 0.000 0.246 281 V C 2.171 178.042 176.094 -0.372 0.000 1.049 281 V CA 1.418 63.532 62.300 -0.310 0.000 1.024 281 V CB -0.353 31.215 31.823 -0.425 0.000 0.648 281 V HN 0.229 nan 8.190 nan 0.000 0.447 282 L N -0.497 120.475 121.223 -0.418 0.000 2.675 282 L HA -0.013 4.330 4.340 0.004 0.000 0.238 282 L C 1.836 178.573 176.870 -0.222 0.000 1.155 282 L CA 0.916 55.537 54.840 -0.366 0.000 0.881 282 L CB -0.458 41.364 42.059 -0.397 0.000 1.008 282 L HN 0.279 nan 8.230 nan 0.000 0.443 283 K N -0.447 119.839 120.400 -0.190 0.000 2.358 283 K HA 0.097 4.420 4.320 0.004 0.000 0.200 283 K C -0.399 176.135 176.600 -0.111 0.000 1.030 283 K CA -0.006 56.212 56.287 -0.114 0.000 1.097 283 K CB 0.551 33.002 32.500 -0.082 0.000 0.862 283 K HN 0.042 nan 8.250 nan 0.000 0.534 284 D N -0.104 120.205 120.400 -0.153 0.000 2.470 284 D HA 0.078 4.721 4.640 0.004 0.000 0.233 284 D C -0.287 175.912 176.300 -0.169 0.000 1.372 284 D CA -0.322 53.603 54.000 -0.125 0.000 0.994 284 D CB 1.260 42.002 40.800 -0.096 0.000 1.377 284 D HN -0.196 nan 8.370 nan 0.000 0.586 285 D N 2.040 122.357 120.400 -0.138 0.000 2.280 285 D HA -0.166 4.476 4.640 0.004 0.000 0.206 285 D C 1.079 177.313 176.300 -0.110 0.000 0.988 285 D CA 1.177 55.086 54.000 -0.150 0.000 0.886 285 D CB 0.064 40.887 40.800 0.038 0.000 0.914 285 D HN 0.565 nan 8.370 nan 0.000 0.473 286 N N -0.689 117.971 118.700 -0.067 0.000 2.300 286 N HA 0.024 4.767 4.740 0.004 0.000 0.179 286 N C 1.654 177.136 175.510 -0.047 0.000 1.016 286 N CA 0.252 53.280 53.050 -0.037 0.000 0.876 286 N CB 0.192 38.662 38.487 -0.028 0.000 0.979 286 N HN 0.132 nan 8.380 nan 0.000 0.432 287 L N 0.268 121.451 121.223 -0.066 0.000 2.127 287 L HA -0.019 4.323 4.340 0.004 0.000 0.203 287 L C 2.187 179.068 176.870 0.019 0.000 1.080 287 L CA 0.436 55.275 54.840 -0.001 0.000 0.768 287 L CB -0.254 41.790 42.059 -0.026 0.000 0.924 287 L HN 0.204 nan 8.230 nan 0.000 0.444 288 L N 0.717 121.786 121.223 -0.256 0.000 2.046 288 L HA -0.125 4.218 4.340 0.004 0.000 0.208 288 L C 2.602 179.325 176.870 -0.244 0.000 1.077 288 L CA 1.923 56.454 54.840 -0.515 0.000 0.747 288 L CB -0.745 40.712 42.059 -1.004 0.000 0.896 288 L HN 0.152 nan 8.230 nan 0.000 0.432 289 A N -0.661 122.055 122.820 -0.173 0.000 2.084 289 A HA -0.193 4.130 4.320 0.004 0.000 0.221 289 A C 2.171 179.868 177.584 0.189 0.000 1.161 289 A CA 1.892 54.030 52.037 0.167 0.000 0.653 289 A CB -0.982 18.131 19.000 0.187 0.000 0.802 289 A HN 0.549 nan 8.150 nan 0.000 0.457 290 L N -2.100 119.228 121.223 0.175 0.000 2.552 290 L HA 0.012 4.355 4.340 0.004 0.000 0.227 290 L C 1.269 178.188 176.870 0.082 0.000 1.146 290 L CA 0.266 55.130 54.840 0.040 0.000 0.858 290 L CB -0.206 41.770 42.059 -0.137 0.000 0.969 290 L HN 0.368 nan 8.230 nan 0.000 0.451 291 F N -0.961 119.010 119.950 0.035 0.000 2.727 291 F HA 0.084 4.614 4.527 0.005 0.000 0.302 291 F C 0.662 176.529 175.800 0.111 0.000 1.097 291 F CA -0.622 57.423 58.000 0.075 0.000 1.330 291 F CB -0.223 38.801 39.000 0.040 0.000 1.084 291 F HN 0.026 nan 8.300 nan 0.000 0.578 292 D N 1.323 121.898 120.400 0.292 0.000 2.723 292 D HA -0.214 4.428 4.640 0.004 0.000 0.236 292 D C 0.016 176.439 176.300 0.205 0.000 1.138 292 D CA 0.632 54.760 54.000 0.213 0.000 0.676 292 D CB -1.351 39.537 40.800 0.147 0.000 1.069 292 D HN 0.247 nan 8.370 nan 0.000 0.430 293 I N 0.112 120.834 120.570 0.252 0.000 2.488 293 I HA 0.238 4.410 4.170 0.004 0.000 0.299 293 I C -1.847 174.281 176.117 0.018 0.000 0.984 293 I CA -2.109 59.238 61.300 0.079 0.000 1.250 293 I CB 1.055 39.098 38.000 0.071 0.000 1.389 293 I HN -0.323 nan 8.210 nan 0.000 0.488 294 P HA -0.003 nan 4.420 nan 0.000 0.262 294 P C 0.200 177.256 177.300 -0.407 0.000 1.199 294 P CA -0.064 62.895 63.100 -0.235 0.000 0.763 294 P CB 0.419 31.984 31.700 -0.224 0.000 0.790 295 K N 3.209 123.202 120.400 -0.678 0.000 2.444 295 K HA -0.184 4.139 4.320 0.004 0.000 0.200 295 K C 1.381 177.474 176.600 -0.844 0.000 1.045 295 K CA 0.979 56.425 56.287 -1.401 0.000 0.934 295 K CB -0.379 31.435 32.500 -1.144 0.000 0.756 295 K HN 0.305 nan 8.250 nan 0.000 0.477 296 I N 0.390 120.697 120.570 -0.437 0.000 2.876 296 I HA -0.066 4.107 4.170 0.004 0.000 0.264 296 I C 1.115 177.159 176.117 -0.122 0.000 1.204 296 I CA 0.862 62.026 61.300 -0.228 0.000 1.485 296 I CB 0.265 38.175 38.000 -0.150 0.000 1.103 296 I HN 0.148 nan 8.210 nan 0.000 0.446 297 L N -1.294 119.861 121.223 -0.114 0.000 2.592 297 L HA -0.026 4.317 4.340 0.004 0.000 0.227 297 L C 1.639 178.618 176.870 0.180 0.000 1.127 297 L CA -0.169 54.672 54.840 0.002 0.000 0.884 297 L CB -0.420 41.566 42.059 -0.121 0.000 1.065 297 L HN 0.294 nan 8.230 nan 0.000 0.457 298 W N 1.031 122.267 121.300 -0.107 0.000 2.354 298 W HA -0.069 4.593 4.660 0.003 0.000 0.315 298 W C -0.260 176.224 176.519 -0.058 0.000 1.206 298 W CA 0.837 58.127 57.345 -0.092 0.000 1.290 298 W CB -2.306 27.105 29.460 -0.083 0.000 1.152 298 W HN 0.110 nan 8.180 nan 0.000 0.489 299 P HA -0.130 nan 4.420 nan 0.000 0.218 299 P C 1.595 178.948 177.300 0.089 0.000 1.149 299 P CA 1.954 65.123 63.100 0.116 0.000 0.817 299 P CB -0.097 31.654 31.700 0.085 0.000 0.785 300 R N -1.221 119.331 120.500 0.086 0.000 2.148 300 R HA 0.001 4.344 4.340 0.004 0.000 0.223 300 R C 1.974 178.313 176.300 0.065 0.000 1.088 300 R CA 0.771 56.914 56.100 0.072 0.000 0.985 300 R CB -1.052 29.286 30.300 0.064 0.000 0.880 300 R HN 0.228 nan 8.270 nan 0.000 0.451 301 L N 0.919 122.174 121.223 0.053 0.000 1.994 301 L HA -0.154 4.189 4.340 0.004 0.000 0.208 301 L C 2.476 179.396 176.870 0.082 0.000 1.071 301 L CA 1.753 56.609 54.840 0.026 0.000 0.745 301 L CB -0.511 41.514 42.059 -0.058 0.000 0.892 301 L HN 0.037 nan 8.230 nan 0.000 0.431 302 R N -0.759 119.776 120.500 0.057 0.000 2.094 302 R HA -0.186 4.156 4.340 0.004 0.000 0.239 302 R C 2.254 178.637 176.300 0.138 0.000 1.137 302 R CA 1.522 57.680 56.100 0.097 0.000 0.943 302 R CB -0.789 29.543 30.300 0.054 0.000 0.850 302 R HN 0.305 nan 8.270 nan 0.000 0.433 303 L N 0.243 121.527 121.223 0.102 0.000 2.042 303 L HA -0.219 4.124 4.340 0.004 0.000 0.210 303 L C 2.782 179.723 176.870 0.117 0.000 1.076 303 L CA 1.436 56.330 54.840 0.090 0.000 0.749 303 L CB -0.626 41.480 42.059 0.078 0.000 0.893 303 L HN 0.289 nan 8.230 nan 0.000 0.432 304 S N -0.429 115.368 115.700 0.161 0.000 2.359 304 S HA -0.273 4.200 4.470 0.004 0.000 0.224 304 S C 1.870 176.672 174.600 0.336 0.000 1.035 304 S CA 1.426 59.772 58.200 0.243 0.000 1.018 304 S CB -0.480 62.857 63.200 0.227 0.000 0.876 304 S HN 0.583 nan 8.310 nan 0.000 0.448 305 W N 1.532 122.848 121.300 0.027 0.000 2.335 305 W HA -0.190 4.473 4.660 0.004 0.000 0.311 305 W C 2.324 178.664 176.519 -0.298 0.000 1.213 305 W CA 1.558 58.717 57.345 -0.310 0.000 1.274 305 W CB -0.502 28.797 29.460 -0.268 0.000 1.148 305 W HN 0.458 nan 8.180 nan 0.000 0.498 306 Q N 0.692 120.393 119.800 -0.167 0.000 2.291 306 Q HA -0.218 4.125 4.340 0.004 0.000 0.205 306 Q C 2.064 177.929 176.000 -0.225 0.000 0.970 306 Q CA 1.743 57.372 55.803 -0.289 0.000 0.876 306 Q CB -0.072 28.601 28.738 -0.109 0.000 0.935 306 Q HN 0.498 nan 8.270 nan 0.000 0.455 307 R N -2.064 118.373 120.500 -0.106 0.000 2.509 307 R HA 0.221 4.563 4.340 0.004 0.000 0.297 307 R C 0.603 176.916 176.300 0.021 0.000 0.951 307 R CA -0.316 55.767 56.100 -0.029 0.000 1.103 307 R CB 0.688 31.023 30.300 0.058 0.000 1.283 307 R HN -0.073 nan 8.270 nan 0.000 0.534 308 R N 0.587 121.090 120.500 0.004 0.000 2.566 308 R HA 0.208 4.551 4.340 0.004 0.000 0.388 308 R C 1.125 177.445 176.300 0.034 0.000 0.989 308 R CA -0.359 55.837 56.100 0.160 0.000 1.164 308 R CB 0.233 30.827 30.300 0.489 0.000 1.459 308 R HN 0.060 nan 8.270 nan 0.000 0.553 309 R N 1.086 121.322 120.500 -0.440 0.000 2.117 309 R HA -0.141 4.202 4.340 0.004 0.000 0.243 309 R C 0.544 176.576 176.300 -0.447 0.000 1.143 309 R CA 1.575 57.153 56.100 -0.871 0.000 0.968 309 R CB -0.012 29.422 30.300 -1.443 0.000 0.863 309 R HN 0.327 nan 8.270 nan 0.000 0.444 310 H N -1.187 117.712 119.070 -0.285 0.000 2.539 310 H HA 0.080 4.638 4.556 0.004 0.000 0.269 310 H C 0.543 175.897 175.328 0.043 0.000 0.980 310 H CA 0.290 56.268 56.048 -0.117 0.000 1.152 310 H CB 0.117 29.782 29.762 -0.162 0.000 1.407 310 H HN 0.506 nan 8.280 nan 0.000 0.564 311 H N -0.746 118.536 119.070 0.353 0.000 2.529 311 H HA 0.127 4.685 4.556 0.004 0.000 0.277 311 H C 0.980 176.483 175.328 0.293 0.000 1.004 311 H CA -0.382 55.853 56.048 0.311 0.000 1.167 311 H CB 0.735 30.608 29.762 0.184 0.000 1.445 311 H HN 0.118 nan 8.280 nan 0.000 0.554 312 M N 1.200 121.068 119.600 0.447 0.000 2.238 312 M HA 0.048 4.530 4.480 0.004 0.000 0.347 312 M C 0.130 176.540 176.300 0.184 0.000 1.173 312 M CA 0.425 55.902 55.300 0.294 0.000 1.147 312 M CB 0.730 33.550 32.600 0.365 0.000 1.547 312 M HN 0.261 nan 8.290 nan 0.000 0.455 313 I N 1.018 121.636 120.570 0.079 0.000 3.132 313 I HA 0.103 4.276 4.170 0.004 0.000 0.255 313 I C 0.935 177.032 176.117 -0.033 0.000 1.118 313 I CA 0.403 61.636 61.300 -0.112 0.000 1.463 313 I CB 0.738 38.454 38.000 -0.473 0.000 1.356 313 I HN 0.643 nan 8.210 nan 0.000 0.463 314 T N -0.636 113.968 114.554 0.083 0.000 2.883 314 T HA 0.729 5.082 4.350 0.004 0.000 0.296 314 T C -0.951 173.907 174.700 0.262 0.000 1.117 314 T CA -0.480 61.741 62.100 0.202 0.000 1.006 314 T CB 1.971 71.044 68.868 0.341 0.000 1.191 314 T HN 0.375 nan 8.240 nan 0.000 0.508 315 G N 1.391 110.392 108.800 0.337 0.000 2.646 315 G HA2 0.632 4.594 3.960 0.004 0.000 0.291 315 G HA3 0.632 4.594 3.960 0.004 0.000 0.291 315 G C -1.946 173.181 174.900 0.378 0.000 1.445 315 G CA -0.729 44.566 45.100 0.326 0.000 0.814 315 G HN 0.732 nan 8.290 nan 0.000 0.495 316 R N 0.625 121.294 120.500 0.282 0.000 2.621 316 R HA 0.677 5.019 4.340 0.004 0.000 0.292 316 R C -0.807 175.541 176.300 0.080 0.000 0.969 316 R CA -0.781 55.371 56.100 0.088 0.000 0.887 316 R CB 1.676 31.965 30.300 -0.018 0.000 1.180 316 R HN 0.496 nan 8.270 nan 0.000 0.450 317 M N 2.906 122.463 119.600 -0.072 0.000 2.294 317 M HA 0.292 4.775 4.480 0.004 0.000 0.335 317 M C -1.200 174.916 176.300 -0.307 0.000 1.079 317 M CA -0.716 54.436 55.300 -0.246 0.000 0.982 317 M CB 1.942 34.319 32.600 -0.370 0.000 1.651 317 M HN 0.437 nan 8.290 nan 0.000 0.437 318 D N 3.642 123.820 120.400 -0.370 0.000 2.280 318 D HA 0.485 5.127 4.640 0.004 0.000 0.236 318 D C -1.194 174.836 176.300 -0.450 0.000 1.082 318 D CA 0.302 54.180 54.000 -0.203 0.000 0.834 318 D CB 1.011 41.831 40.800 0.033 0.000 1.100 318 D HN 0.251 nan 8.370 nan 0.000 0.486 319 F N 0.409 120.274 119.950 -0.143 0.000 2.593 319 F HA 0.355 4.885 4.527 0.004 0.000 0.320 319 F C 0.115 175.732 175.800 -0.305 0.000 1.060 319 F CA -1.088 56.732 58.000 -0.301 0.000 0.940 319 F CB 1.676 40.548 39.000 -0.213 0.000 1.268 319 F HN 0.202 nan 8.300 nan 0.000 0.475 320 C N 4.880 124.069 119.300 -0.185 0.000 2.298 320 C HA 0.770 5.233 4.460 0.004 0.000 0.323 320 C C -0.582 174.467 174.990 0.098 0.000 1.284 320 C CA -0.620 58.395 59.018 -0.005 0.000 1.577 320 C CB -0.292 27.499 27.740 0.085 0.000 2.249 320 C HN 0.853 nan 8.230 nan 0.000 0.497 321 M N 7.307 126.964 119.600 0.096 0.000 2.197 321 M HA 0.533 5.015 4.480 0.004 0.000 0.301 321 M C -1.595 174.746 176.300 0.068 0.000 0.987 321 M CA 0.083 55.421 55.300 0.064 0.000 0.921 321 M CB 1.253 33.839 32.600 -0.024 0.000 1.569 321 M HN 0.974 nan 8.290 nan 0.000 0.431 322 D N 1.999 122.455 120.400 0.093 0.000 2.792 322 D HA 0.071 4.714 4.640 0.004 0.000 0.335 322 D C 0.118 176.459 176.300 0.068 0.000 1.353 322 D CA -0.390 53.647 54.000 0.062 0.000 0.839 322 D CB 0.148 40.980 40.800 0.053 0.000 1.396 322 D HN 0.684 nan 8.370 nan 0.000 0.479 323 E N -0.035 120.189 120.200 0.039 0.000 2.284 323 E HA -0.254 4.098 4.350 0.004 0.000 0.200 323 E C 1.283 177.917 176.600 0.057 0.000 1.008 323 E CA 1.091 57.512 56.400 0.036 0.000 0.829 323 E CB -0.260 29.448 29.700 0.013 0.000 0.744 323 E HN 0.348 nan 8.360 nan 0.000 0.491 324 R N 0.676 121.222 120.500 0.077 0.000 2.189 324 R HA 0.146 4.489 4.340 0.004 0.000 0.218 324 R C 0.964 177.408 176.300 0.240 0.000 1.074 324 R CA 0.621 56.794 56.100 0.121 0.000 0.991 324 R CB 0.171 30.504 30.300 0.054 0.000 0.883 324 R HN 0.335 nan 8.270 nan 0.000 0.457 325 G N 0.200 109.136 108.800 0.227 0.000 2.316 325 G HA2 -0.033 3.930 3.960 0.004 0.000 0.349 325 G HA3 -0.033 3.930 3.960 0.004 0.000 0.349 325 G C -2.147 172.887 174.900 0.223 0.000 1.274 325 G CA -0.965 44.263 45.100 0.213 0.000 1.018 325 G HN 0.025 nan 8.290 nan 0.000 0.486 326 L N 0.427 121.768 121.223 0.197 0.000 2.333 326 L HA 0.864 5.206 4.340 0.004 0.000 0.280 326 L C -0.533 176.421 176.870 0.139 0.000 1.004 326 L CA -0.854 54.073 54.840 0.145 0.000 0.820 326 L CB 1.428 43.525 42.059 0.063 0.000 1.247 326 L HN 0.557 nan 8.230 nan 0.000 0.416 327 K N 3.905 124.286 120.400 -0.030 0.000 2.375 327 K HA 0.664 4.987 4.320 0.004 0.000 0.249 327 K C -1.299 175.152 176.600 -0.248 0.000 0.942 327 K CA -0.691 55.443 56.287 -0.255 0.000 0.806 327 K CB 2.368 34.350 32.500 -0.864 0.000 1.227 327 K HN 0.385 nan 8.250 nan 0.000 0.430 328 V N 1.066 120.811 119.914 -0.281 0.000 2.394 328 V HA 0.326 4.449 4.120 0.004 0.000 0.282 328 V C 0.394 176.294 176.094 -0.323 0.000 1.031 328 V CA -0.559 61.464 62.300 -0.463 0.000 0.881 328 V CB 0.573 32.191 31.823 -0.342 0.000 0.982 328 V HN 0.624 nan 8.190 nan 0.000 0.451 329 Y N 2.754 122.915 120.300 -0.231 0.000 2.266 329 Y HA 0.254 4.806 4.550 0.004 0.000 0.294 329 Y C 1.198 177.032 175.900 -0.110 0.000 1.127 329 Y CA 0.612 58.627 58.100 -0.142 0.000 1.140 329 Y CB 0.273 38.667 38.460 -0.110 0.000 1.071 329 Y HN 0.888 nan 8.280 nan 0.000 0.525 330 E N -2.344 117.885 120.200 0.048 0.000 2.445 330 E HA 0.298 4.651 4.350 0.004 0.000 0.279 330 E C -2.040 174.547 176.600 -0.022 0.000 1.018 330 E CA -1.084 55.346 56.400 0.049 0.000 0.816 330 E CB 1.616 31.334 29.700 0.031 0.000 1.356 330 E HN -0.088 nan 8.360 nan 0.000 0.462 331 Y N 1.989 122.173 120.300 -0.192 0.000 2.426 331 Y HA 0.404 4.956 4.550 0.004 0.000 0.325 331 Y C -1.210 174.582 175.900 -0.181 0.000 0.989 331 Y CA -2.059 55.817 58.100 -0.374 0.000 1.284 331 Y CB 0.952 38.813 38.460 -0.998 0.000 1.104 331 Y HN 0.555 nan 8.280 nan 0.000 0.481 332 N N 5.139 123.849 118.700 0.017 0.000 2.605 332 N HA 0.216 4.958 4.740 0.004 0.000 0.258 332 N C 0.630 176.021 175.510 -0.198 0.000 1.156 332 N CA 0.435 53.441 53.050 -0.073 0.000 1.008 332 N CB 1.276 39.760 38.487 -0.006 0.000 1.354 332 N HN 0.756 nan 8.380 nan 0.000 0.509 333 A N 0.895 123.449 122.820 -0.444 0.000 2.095 333 A HA -0.055 4.267 4.320 0.004 0.000 0.212 333 A C 1.772 179.211 177.584 -0.242 0.000 1.162 333 A CA 0.375 52.085 52.037 -0.545 0.000 0.753 333 A CB 0.156 18.633 19.000 -0.872 0.000 0.840 333 A HN 0.394 nan 8.150 nan 0.000 0.468 334 D N 1.106 121.416 120.400 -0.150 0.000 2.092 334 D HA -0.055 4.587 4.640 0.004 0.000 0.203 334 D C 0.691 176.991 176.300 0.000 0.000 0.978 334 D CA 1.871 55.846 54.000 -0.042 0.000 0.861 334 D CB -0.049 40.762 40.800 0.019 0.000 1.005 334 D HN 0.348 nan 8.370 nan 0.000 0.450 335 S N -0.366 115.327 115.700 -0.011 0.000 2.789 335 S HA 0.808 5.280 4.470 0.004 0.000 0.286 335 S C -0.407 174.210 174.600 0.029 0.000 1.153 335 S CA -0.642 57.553 58.200 -0.007 0.000 1.084 335 S CB 1.568 64.710 63.200 -0.096 0.000 1.036 335 S HN 0.390 nan 8.310 nan 0.000 0.484 336 A N 2.756 125.664 122.820 0.147 0.000 2.284 336 A HA 1.022 5.345 4.320 0.004 0.000 0.317 336 A C 0.286 178.011 177.584 0.236 0.000 1.120 336 A CA -0.503 51.662 52.037 0.214 0.000 0.900 336 A CB 1.169 20.390 19.000 0.369 0.000 1.319 336 A HN 1.828 nan 8.150 nan 0.000 0.494 337 S N -3.365 112.516 115.700 0.301 0.000 2.727 337 S HA 0.555 5.027 4.470 0.004 0.000 0.278 337 S C -0.112 174.781 174.600 0.488 0.000 1.186 337 S CA 0.050 58.411 58.200 0.268 0.000 0.836 337 S CB 0.723 63.739 63.200 -0.308 0.000 1.186 337 S HN 2.007 nan 8.310 nan 0.000 0.499 338 C N 0.132 119.684 119.300 0.420 0.000 5.722 338 C HA -0.117 4.346 4.460 0.004 0.000 0.207 338 C C 1.691 176.892 174.990 0.352 0.000 1.106 338 C CA 0.661 59.904 59.018 0.374 0.000 1.113 338 C CB -2.929 25.018 27.740 0.346 0.000 2.093 338 C HN 1.020 nan 8.230 nan 0.000 0.656 339 H N 0.626 119.761 119.070 0.109 0.000 2.319 339 H HA -0.160 4.399 4.556 0.004 0.000 0.299 339 H C 1.951 176.862 175.328 -0.695 0.000 1.092 339 H CA 2.023 57.862 56.048 -0.348 0.000 1.302 339 H CB -0.221 29.497 29.762 -0.073 0.000 1.373 339 H HN 0.670 nan 8.280 nan 0.000 0.497 340 T N 0.936 115.125 114.554 -0.608 0.000 2.720 340 T HA -0.138 4.214 4.350 0.004 0.000 0.268 340 T C 1.867 176.323 174.700 -0.406 0.000 1.037 340 T CA 1.506 63.084 62.100 -0.870 0.000 1.144 340 T CB -0.169 68.622 68.868 -0.129 0.000 0.864 340 T HN 0.324 nan 8.240 nan 0.000 0.444 341 E N 1.488 121.615 120.200 -0.122 0.000 2.007 341 E HA 0.028 4.381 4.350 0.004 0.000 0.194 341 E C 2.486 179.035 176.600 -0.086 0.000 0.999 341 E CA 1.337 57.691 56.400 -0.078 0.000 0.811 341 E CB -0.634 29.113 29.700 0.078 0.000 0.762 341 E HN 0.483 nan 8.360 nan 0.000 0.450 342 A N -0.042 122.773 122.820 -0.008 0.000 2.015 342 A HA 0.011 4.333 4.320 0.004 0.000 0.219 342 A C 2.129 179.704 177.584 -0.014 0.000 1.163 342 A CA 1.598 53.656 52.037 0.036 0.000 0.646 342 A CB -0.534 18.616 19.000 0.250 0.000 0.806 342 A HN 0.307 nan 8.150 nan 0.000 0.448 343 G N -2.280 106.460 108.800 -0.101 0.000 3.277 343 G HA2 0.393 4.355 3.960 0.004 0.000 0.243 343 G HA3 0.393 4.355 3.960 0.004 0.000 0.243 343 G C 0.659 175.582 174.900 0.038 0.000 1.107 343 G CA 0.798 45.891 45.100 -0.012 0.000 0.771 343 G HN 0.408 nan 8.290 nan 0.000 0.544 344 L N -0.970 120.215 121.223 -0.064 0.000 2.230 344 L HA 0.428 4.770 4.340 0.004 0.000 0.164 344 L C 1.888 178.724 176.870 -0.056 0.000 1.237 344 L CA 0.389 55.219 54.840 -0.016 0.000 1.030 344 L CB -0.478 41.564 42.059 -0.029 0.000 2.103 344 L HN -0.068 nan 8.230 nan 0.000 0.490 345 I N 0.898 121.359 120.570 -0.182 0.000 2.113 345 I HA -0.250 3.923 4.170 0.004 0.000 0.238 345 I C 2.549 178.689 176.117 0.038 0.000 1.070 345 I CA 1.777 62.961 61.300 -0.194 0.000 1.332 345 I CB -1.296 36.387 38.000 -0.528 0.000 1.044 345 I HN 0.285 nan 8.210 nan 0.000 0.402 346 L N 0.261 121.480 121.223 -0.006 0.000 2.129 346 L HA -0.222 4.121 4.340 0.004 0.000 0.212 346 L C 2.666 179.652 176.870 0.193 0.000 1.087 346 L CA 1.174 56.038 54.840 0.041 0.000 0.757 346 L CB -0.510 41.504 42.059 -0.074 0.000 0.896 346 L HN 0.298 nan 8.230 nan 0.000 0.434 347 E N -0.223 120.062 120.200 0.142 0.000 2.051 347 E HA -0.196 4.157 4.350 0.004 0.000 0.192 347 E C 2.293 179.024 176.600 0.218 0.000 0.991 347 E CA 0.766 57.266 56.400 0.167 0.000 0.799 347 E CB -0.171 29.600 29.700 0.118 0.000 0.748 347 E HN 0.216 nan 8.360 nan 0.000 0.449 348 R N 0.291 120.927 120.500 0.228 0.000 2.083 348 R HA -0.176 4.166 4.340 0.004 0.000 0.237 348 R C 2.029 178.586 176.300 0.428 0.000 1.137 348 R CA 1.492 57.767 56.100 0.291 0.000 0.951 348 R CB -1.255 29.221 30.300 0.293 0.000 0.851 348 R HN 0.320 nan 8.270 nan 0.000 0.434 349 W N 0.900 122.376 121.300 0.295 0.000 2.321 349 W HA -0.287 4.376 4.660 0.004 0.000 0.306 349 W C 2.021 178.633 176.519 0.155 0.000 1.217 349 W CA 2.744 60.197 57.345 0.180 0.000 1.257 349 W CB -0.448 28.966 29.460 -0.077 0.000 1.145 349 W HN 0.188 nan 8.180 nan 0.000 0.509 350 A N 0.287 123.309 122.820 0.337 0.000 1.828 350 A HA -0.290 4.033 4.320 0.004 0.000 0.215 350 A C 2.001 179.582 177.584 -0.005 0.000 1.203 350 A CA 1.899 53.995 52.037 0.097 0.000 0.614 350 A CB -1.599 17.540 19.000 0.233 0.000 0.844 350 A HN 0.486 nan 8.150 nan 0.000 0.445 351 E N -1.130 119.116 120.200 0.077 0.000 2.301 351 E HA -0.338 4.015 4.350 0.004 0.000 0.202 351 E C 1.992 178.572 176.600 -0.033 0.000 1.017 351 E CA 1.787 58.210 56.400 0.039 0.000 0.831 351 E CB -0.045 29.699 29.700 0.073 0.000 0.742 351 E HN 0.610 nan 8.360 nan 0.000 0.491 352 Q N -1.141 118.617 119.800 -0.069 0.000 2.165 352 Q HA 0.088 4.431 4.340 0.004 0.000 0.197 352 Q C 1.431 177.159 176.000 -0.452 0.000 0.952 352 Q CA 1.480 57.160 55.803 -0.207 0.000 0.848 352 Q CB 0.619 29.283 28.738 -0.123 0.000 0.931 352 Q HN 0.260 nan 8.270 nan 0.000 0.470 353 G N -1.736 106.743 108.800 -0.536 0.000 4.008 353 G HA2 0.065 4.028 3.960 0.004 0.000 0.278 353 G HA3 0.065 4.028 3.960 0.004 0.000 0.278 353 G C -1.106 173.536 174.900 -0.430 0.000 1.021 353 G CA -0.298 44.463 45.100 -0.564 0.000 0.833 353 G HN 0.198 nan 8.290 nan 0.000 0.454 354 Y N 1.344 121.339 120.300 -0.509 0.000 2.334 354 Y HA 0.531 5.084 4.550 0.004 0.000 0.336 354 Y C 0.616 176.398 175.900 -0.196 0.000 0.960 354 Y CA -0.851 57.012 58.100 -0.394 0.000 1.164 354 Y CB 1.517 39.735 38.460 -0.403 0.000 1.155 354 Y HN -0.043 nan 8.280 nan 0.000 0.478 355 K N 3.700 123.695 120.400 -0.675 0.000 2.373 355 K HA 0.291 4.614 4.320 0.004 0.000 0.202 355 K C 0.829 177.052 176.600 -0.629 0.000 1.025 355 K CA 0.177 56.175 56.287 -0.482 0.000 1.115 355 K CB 0.718 33.049 32.500 -0.282 0.000 0.858 355 K HN 0.724 nan 8.250 nan 0.000 0.525 356 G N 0.483 108.425 108.800 -1.431 0.000 2.525 356 G HA2 -0.038 3.925 3.960 0.004 0.000 0.276 356 G HA3 -0.038 3.925 3.960 0.004 0.000 0.276 356 G C 0.210 175.043 174.900 -0.112 0.000 1.388 356 G CA -0.454 44.161 45.100 -0.807 0.000 1.050 356 G HN 0.245 nan 8.290 nan 0.000 0.520 357 N N -0.835 117.965 118.700 0.168 0.000 2.415 357 N HA 0.144 4.886 4.740 0.004 0.000 0.174 357 N C 1.562 177.291 175.510 0.365 0.000 1.048 357 N CA 0.212 53.397 53.050 0.226 0.000 0.895 357 N CB 0.275 38.858 38.487 0.159 0.000 1.036 357 N HN 0.560 nan 8.380 nan 0.000 0.449 358 G N 0.692 109.770 108.800 0.463 0.000 2.593 358 G HA2 0.265 4.227 3.960 0.004 0.000 0.279 358 G HA3 0.265 4.227 3.960 0.004 0.000 0.279 358 G C -0.357 174.760 174.900 0.362 0.000 1.329 358 G CA -0.034 45.262 45.100 0.327 0.000 1.036 358 G HN 0.290 nan 8.290 nan 0.000 0.555 359 F N -3.048 116.922 119.950 0.032 0.000 2.686 359 F HA 0.541 5.070 4.527 0.004 0.000 0.311 359 F C -0.826 174.971 175.800 -0.005 0.000 1.128 359 F CA -1.741 56.273 58.000 0.025 0.000 0.946 359 F CB 1.461 40.500 39.000 0.065 0.000 1.336 359 F HN 0.406 nan 8.300 nan 0.000 0.457 360 N N 3.681 122.478 118.700 0.162 0.000 2.401 360 N HA 0.323 5.066 4.740 0.004 0.000 0.255 360 N C -1.681 173.936 175.510 0.177 0.000 1.110 360 N CA -2.669 50.418 53.050 0.060 0.000 0.949 360 N CB 0.901 39.447 38.487 0.098 0.000 1.110 360 N HN 0.445 nan 8.380 nan 0.000 0.490 361 P HA -0.100 nan 4.420 nan 0.000 0.231 361 P C -0.057 177.387 177.300 0.240 0.000 1.154 361 P CA 0.796 64.011 63.100 0.192 0.000 0.762 361 P CB 0.203 31.944 31.700 0.069 0.000 0.790 362 A N -0.535 122.385 122.820 0.167 0.000 2.603 362 A HA 0.106 4.429 4.320 0.004 0.000 0.277 362 A C 1.951 179.597 177.584 0.103 0.000 1.158 362 A CA -0.224 51.884 52.037 0.118 0.000 0.962 362 A CB -0.273 18.795 19.000 0.114 0.000 1.189 362 A HN 0.180 nan 8.150 nan 0.000 0.552 363 E N 0.160 120.447 120.200 0.145 0.000 2.086 363 E HA -0.191 4.162 4.350 0.004 0.000 0.200 363 E C 1.247 177.904 176.600 0.096 0.000 1.012 363 E CA 1.473 57.948 56.400 0.126 0.000 0.812 363 E CB -0.519 29.270 29.700 0.148 0.000 0.743 363 E HN 0.378 nan 8.360 nan 0.000 0.453 364 G N 0.909 109.759 108.800 0.084 0.000 3.882 364 G HA2 0.273 4.236 3.960 0.004 0.000 0.283 364 G HA3 0.273 4.236 3.960 0.004 0.000 0.283 364 G C 0.659 175.576 174.900 0.029 0.000 1.283 364 G CA -0.385 44.748 45.100 0.054 0.000 1.402 364 G HN 0.098 nan 8.290 nan 0.000 0.618 365 L N 0.464 121.708 121.223 0.035 0.000 2.127 365 L HA 0.259 4.602 4.340 0.004 0.000 0.203 365 L C 2.592 179.462 176.870 0.000 0.000 1.080 365 L CA 1.198 56.039 54.840 0.001 0.000 0.768 365 L CB -0.292 41.758 42.059 -0.015 0.000 0.924 365 L HN 0.359 nan 8.230 nan 0.000 0.444 366 I N -0.229 120.346 120.570 0.007 0.000 2.163 366 I HA -0.366 3.806 4.170 0.004 0.000 0.243 366 I C 1.949 177.996 176.117 -0.117 0.000 1.085 366 I CA 1.925 63.128 61.300 -0.161 0.000 1.347 366 I CB -0.537 37.366 38.000 -0.162 0.000 1.044 366 I HN 0.404 nan 8.210 nan 0.000 0.408 367 N N 0.156 118.828 118.700 -0.047 0.000 2.171 367 N HA -0.196 4.547 4.740 0.004 0.000 0.184 367 N C 1.812 177.315 175.510 -0.010 0.000 1.021 367 N CA 0.687 53.724 53.050 -0.020 0.000 0.854 367 N CB -0.037 38.453 38.487 0.005 0.000 0.994 367 N HN 0.232 nan 8.380 nan 0.000 0.426 368 E N 0.965 121.155 120.200 -0.017 0.000 2.058 368 E HA -0.152 4.200 4.350 0.004 0.000 0.194 368 E C 1.696 178.274 176.600 -0.036 0.000 0.997 368 E CA 0.897 57.284 56.400 -0.022 0.000 0.801 368 E CB -0.144 29.536 29.700 -0.034 0.000 0.746 368 E HN 0.128 nan 8.360 nan 0.000 0.450 369 L N 0.186 121.375 121.223 -0.057 0.000 1.994 369 L HA -0.082 4.260 4.340 0.004 0.000 0.208 369 L C 2.268 179.131 176.870 -0.011 0.000 1.071 369 L CA 2.111 56.900 54.840 -0.085 0.000 0.745 369 L CB -1.337 40.653 42.059 -0.114 0.000 0.892 369 L HN 0.223 nan 8.230 nan 0.000 0.431 370 A N -0.793 122.029 122.820 0.004 0.000 1.948 370 A HA -0.164 4.159 4.320 0.004 0.000 0.220 370 A C 2.369 180.016 177.584 0.105 0.000 1.177 370 A CA 1.823 53.891 52.037 0.052 0.000 0.636 370 A CB -1.339 17.659 19.000 -0.004 0.000 0.815 370 A HN 0.485 nan 8.150 nan 0.000 0.449 371 G N -0.605 108.242 108.800 0.077 0.000 2.434 371 G HA2 0.014 3.977 3.960 0.004 0.000 0.214 371 G HA3 0.014 3.977 3.960 0.004 0.000 0.214 371 G C 1.807 176.803 174.900 0.160 0.000 1.202 371 G CA 1.469 46.650 45.100 0.135 0.000 0.788 371 G HN 0.867 nan 8.290 nan 0.000 0.539 372 A N -0.044 122.793 122.820 0.028 0.000 1.948 372 A HA -0.121 4.201 4.320 0.004 0.000 0.220 372 A C 2.223 179.775 177.584 -0.053 0.000 1.177 372 A CA 1.582 53.594 52.037 -0.042 0.000 0.636 372 A CB -0.723 18.163 19.000 -0.191 0.000 0.815 372 A HN 0.590 nan 8.150 nan 0.000 0.449 373 W N -0.391 120.847 121.300 -0.104 0.000 2.418 373 W HA -0.062 4.600 4.660 0.004 0.000 0.292 373 W C 2.301 178.760 176.519 -0.100 0.000 1.213 373 W CA 1.160 58.342 57.345 -0.272 0.000 1.283 373 W CB 0.103 29.264 29.460 -0.498 0.000 1.119 373 W HN 0.298 nan 8.180 nan 0.000 0.542 374 K N 0.046 120.610 120.400 0.272 0.000 2.209 374 K HA -0.181 4.141 4.320 0.004 0.000 0.204 374 K C 0.903 177.521 176.600 0.029 0.000 1.048 374 K CA 1.627 58.031 56.287 0.194 0.000 0.940 374 K CB -0.463 32.096 32.500 0.099 0.000 0.729 374 K HN 0.205 nan 8.250 nan 0.000 0.451 375 H N -0.818 118.340 119.070 0.147 0.000 2.542 375 H HA 0.267 4.825 4.556 0.004 0.000 0.283 375 H C -0.593 174.817 175.328 0.137 0.000 1.059 375 H CA 0.217 56.327 56.048 0.102 0.000 1.162 375 H CB 0.431 30.237 29.762 0.073 0.000 1.539 375 H HN 0.144 nan 8.280 nan 0.000 0.543 376 S N 0.200 116.056 115.700 0.261 0.000 2.480 376 S HA 0.279 4.751 4.470 0.004 0.000 0.286 376 S C 0.595 175.371 174.600 0.295 0.000 1.180 376 S CA -1.054 57.324 58.200 0.298 0.000 1.075 376 S CB 1.684 64.986 63.200 0.169 0.000 0.996 376 S HN 0.103 nan 8.310 nan 0.000 0.487 377 R N 2.010 122.647 120.500 0.229 0.000 4.218 377 R HA 0.313 4.655 4.340 0.004 0.000 0.208 377 R C 0.649 177.112 176.300 0.271 0.000 2.100 377 R CA 0.200 56.407 56.100 0.179 0.000 1.727 377 R CB -1.547 28.808 30.300 0.091 0.000 1.186 377 R HN 0.778 nan 8.270 nan 0.000 0.645 378 A N 0.377 123.431 122.820 0.391 0.000 2.322 378 A HA 0.479 4.801 4.320 0.004 0.000 0.269 378 A C 0.134 177.994 177.584 0.460 0.000 1.094 378 A CA -0.581 51.718 52.037 0.437 0.000 0.807 378 A CB 0.480 19.520 19.000 0.068 0.000 1.047 378 A HN 0.305 nan 8.150 nan 0.000 0.487 379 R N 1.174 121.907 120.500 0.387 0.000 2.694 379 R HA 0.253 4.596 4.340 0.004 0.000 0.268 379 R C -1.727 174.762 176.300 0.315 0.000 1.061 379 R CA -0.991 55.288 56.100 0.299 0.000 1.133 379 R CB -0.014 30.447 30.300 0.268 0.000 1.020 379 R HN 0.489 nan 8.270 nan 0.000 0.475 380 P HA -0.152 nan 4.420 nan 0.000 0.216 380 P C -0.262 177.084 177.300 0.076 0.000 1.150 380 P CA 1.241 64.273 63.100 -0.113 0.000 0.837 380 P CB 0.150 31.801 31.700 -0.082 0.000 0.786 381 F N 1.189 121.183 119.950 0.074 0.000 2.347 381 F HA 0.394 4.923 4.527 0.004 0.000 0.366 381 F C -0.224 175.644 175.800 0.115 0.000 1.107 381 F CA -1.304 56.737 58.000 0.068 0.000 1.058 381 F CB 0.932 39.953 39.000 0.036 0.000 1.236 381 F HN -0.309 nan 8.300 nan 0.000 0.456 382 V N 3.471 123.300 119.914 -0.141 0.000 2.547 382 V HA 0.545 4.667 4.120 0.004 0.000 0.299 382 V C -1.067 174.965 176.094 -0.102 0.000 1.040 382 V CA -0.485 61.816 62.300 0.001 0.000 0.913 382 V CB 1.320 33.037 31.823 -0.177 0.000 0.992 382 V HN 0.712 nan 8.190 nan 0.000 0.449 383 H N 4.165 123.292 119.070 0.096 0.000 2.489 383 H HA 0.621 5.180 4.556 0.004 0.000 0.322 383 H C -0.206 175.171 175.328 0.081 0.000 1.091 383 H CA -0.258 55.858 56.048 0.113 0.000 1.291 383 H CB 1.420 31.285 29.762 0.172 0.000 1.436 383 H HN 0.737 nan 8.280 nan 0.000 0.480 384 I N 4.224 124.870 120.570 0.126 0.000 2.315 384 I HA 0.186 4.359 4.170 0.004 0.000 0.291 384 I C -0.164 176.038 176.117 0.141 0.000 1.006 384 I CA -0.099 61.303 61.300 0.169 0.000 1.265 384 I CB 0.669 38.746 38.000 0.127 0.000 1.387 384 I HN 0.443 nan 8.210 nan 0.000 0.475 385 M N 7.612 127.275 119.600 0.106 0.000 2.055 385 M HA 0.310 4.792 4.480 0.004 0.000 0.346 385 M C -0.344 175.959 176.300 0.004 0.000 1.074 385 M CA -0.470 54.900 55.300 0.117 0.000 1.009 385 M CB 1.052 33.758 32.600 0.176 0.000 1.423 385 M HN 0.574 nan 8.290 nan 0.000 0.410 386 Q N 0.821 120.590 119.800 -0.052 0.000 2.333 386 Q HA 0.541 4.884 4.340 0.004 0.000 0.266 386 Q C -1.152 174.630 176.000 -0.363 0.000 1.053 386 Q CA -1.032 54.593 55.803 -0.298 0.000 0.890 386 Q CB 1.915 30.545 28.738 -0.180 0.000 1.337 386 Q HN 0.407 nan 8.270 nan 0.000 0.474 387 D N 0.175 120.169 120.400 -0.676 0.000 2.348 387 D HA 0.110 4.753 4.640 0.004 0.000 0.249 387 D C -0.844 175.308 176.300 -0.246 0.000 1.110 387 D CA -0.409 53.224 54.000 -0.611 0.000 0.967 387 D CB 1.342 41.608 40.800 -0.889 0.000 1.139 387 D HN 0.548 nan 8.370 nan 0.000 0.466 388 K N 1.449 121.779 120.400 -0.116 0.000 2.737 388 K HA 0.109 4.431 4.320 0.004 0.000 0.251 388 K C -1.129 175.419 176.600 -0.086 0.000 1.280 388 K CA -0.245 56.003 56.287 -0.065 0.000 1.219 388 K CB -0.140 32.354 32.500 -0.010 0.000 1.587 388 K HN 0.170 nan 8.250 nan 0.000 0.279 389 D N 2.382 122.704 120.400 -0.130 0.000 2.471 389 D HA 0.016 4.659 4.640 0.004 0.000 0.245 389 D C 1.382 177.614 176.300 -0.112 0.000 1.116 389 D CA -0.493 53.433 54.000 -0.123 0.000 0.853 389 D CB 1.323 42.021 40.800 -0.171 0.000 1.123 389 D HN 0.222 nan 8.370 nan 0.000 0.540 390 I N 1.411 121.938 120.570 -0.071 0.000 2.597 390 I HA -0.248 3.924 4.170 0.004 0.000 0.262 390 I C 1.256 177.336 176.117 -0.061 0.000 1.194 390 I CA 1.598 62.870 61.300 -0.045 0.000 1.437 390 I CB -0.857 37.132 38.000 -0.018 0.000 1.096 390 I HN 0.425 nan 8.210 nan 0.000 0.451 391 E N 1.359 121.490 120.200 -0.114 0.000 2.216 391 E HA -0.164 4.188 4.350 0.004 0.000 0.192 391 E C 1.664 177.993 176.600 -0.452 0.000 0.988 391 E CA 0.990 57.278 56.400 -0.187 0.000 0.834 391 E CB -0.442 29.174 29.700 -0.139 0.000 0.772 391 E HN 0.662 nan 8.360 nan 0.000 0.479 392 E N 0.763 120.766 120.200 -0.327 0.000 2.299 392 E HA -0.051 4.302 4.350 0.004 0.000 0.193 392 E C 1.487 177.946 176.600 -0.236 0.000 0.998 392 E CA 0.267 56.474 56.400 -0.322 0.000 0.851 392 E CB 0.032 29.567 29.700 -0.274 0.000 0.795 392 E HN 0.208 nan 8.360 nan 0.000 0.492 393 N N 1.014 119.613 118.700 -0.169 0.000 2.036 393 N HA -0.256 4.486 4.740 0.004 0.000 0.199 393 N C 1.773 177.305 175.510 0.037 0.000 1.036 393 N CA 1.940 54.965 53.050 -0.041 0.000 0.870 393 N CB -0.594 37.903 38.487 0.016 0.000 1.055 393 N HN 0.412 nan 8.380 nan 0.000 0.436 394 Y N -1.423 118.927 120.300 0.084 0.000 2.421 394 Y HA 0.039 4.591 4.550 0.004 0.000 0.292 394 Y C 2.321 178.332 175.900 0.185 0.000 1.136 394 Y CA 1.193 59.368 58.100 0.125 0.000 1.255 394 Y CB -0.969 37.576 38.460 0.141 0.000 0.991 394 Y HN 0.252 nan 8.280 nan 0.000 0.552 395 H N 0.674 119.660 119.070 -0.140 0.000 2.372 395 H HA 0.121 4.680 4.556 0.004 0.000 0.301 395 H C 2.249 177.692 175.328 0.192 0.000 1.065 395 H CA 1.410 57.484 56.048 0.044 0.000 1.364 395 H CB -0.305 29.386 29.762 -0.118 0.000 1.406 395 H HN 0.336 nan 8.280 nan 0.000 0.521 396 A N 0.487 123.385 122.820 0.130 0.000 1.902 396 A HA -0.211 4.112 4.320 0.004 0.000 0.217 396 A C 2.230 179.815 177.584 0.001 0.000 1.181 396 A CA 1.837 53.976 52.037 0.171 0.000 0.623 396 A CB -0.505 18.572 19.000 0.128 0.000 0.818 396 A HN 0.666 nan 8.150 nan 0.000 0.443 397 Q N -2.088 117.727 119.800 0.024 0.000 2.172 397 Q HA -0.070 4.272 4.340 0.004 0.000 0.200 397 Q C 1.847 177.827 176.000 -0.034 0.000 0.964 397 Q CA 1.211 57.003 55.803 -0.019 0.000 0.855 397 Q CB -0.239 28.533 28.738 0.057 0.000 0.918 397 Q HN 0.734 nan 8.270 nan 0.000 0.444 398 F N 1.147 121.029 119.950 -0.113 0.000 2.113 398 F HA -0.206 4.324 4.527 0.004 0.000 0.297 398 F C 2.161 177.788 175.800 -0.288 0.000 1.103 398 F CA 1.353 59.272 58.000 -0.134 0.000 1.248 398 F CB -0.090 38.875 39.000 -0.059 0.000 0.999 398 F HN 0.024 nan 8.300 nan 0.000 0.475 399 M N 0.836 120.159 119.600 -0.462 0.000 2.132 399 M HA -0.149 4.333 4.480 0.004 0.000 0.263 399 M C 2.205 178.054 176.300 -0.750 0.000 1.065 399 M CA 1.883 56.713 55.300 -0.783 0.000 1.122 399 M CB -0.846 30.937 32.600 -1.361 0.000 1.365 399 M HN 0.367 nan 8.290 nan 0.000 0.411 400 E N -0.864 118.971 120.200 -0.609 0.000 2.160 400 E HA -0.259 4.093 4.350 0.004 0.000 0.195 400 E C 1.854 178.020 176.600 -0.722 0.000 0.991 400 E CA 1.187 57.174 56.400 -0.689 0.000 0.810 400 E CB 0.026 29.397 29.700 -0.548 0.000 0.742 400 E HN 0.511 nan 8.360 nan 0.000 0.466 401 Q N 0.190 119.683 119.800 -0.512 0.000 2.050 401 Q HA -0.156 4.186 4.340 0.004 0.000 0.202 401 Q C 2.161 177.936 176.000 -0.375 0.000 0.980 401 Q CA 1.553 57.134 55.803 -0.370 0.000 0.840 401 Q CB -0.635 27.902 28.738 -0.334 0.000 0.898 401 Q HN 0.407 nan 8.270 nan 0.000 0.424 402 A N 0.927 123.454 122.820 -0.489 0.000 1.851 402 A HA -0.177 4.145 4.320 0.004 0.000 0.216 402 A C 2.324 179.675 177.584 -0.388 0.000 1.195 402 A CA 1.478 53.294 52.037 -0.369 0.000 0.622 402 A CB -0.986 17.821 19.000 -0.322 0.000 0.831 402 A HN 0.342 nan 8.150 nan 0.000 0.444 403 L N -1.383 119.409 121.223 -0.718 0.000 2.081 403 L HA -0.288 4.055 4.340 0.004 0.000 0.212 403 L C 2.546 179.249 176.870 -0.279 0.000 1.080 403 L CA 1.892 56.219 54.840 -0.855 0.000 0.754 403 L CB -0.671 40.688 42.059 -1.168 0.000 0.893 403 L HN 0.573 nan 8.230 nan 0.000 0.433 404 H N -1.682 117.210 119.070 -0.297 0.000 2.428 404 H HA -0.165 4.393 4.556 0.004 0.000 0.296 404 H C 2.246 177.501 175.328 -0.121 0.000 1.062 404 H CA 0.800 56.739 56.048 -0.183 0.000 1.350 404 H CB 0.307 29.958 29.762 -0.184 0.000 1.403 404 H HN 0.378 nan 8.280 nan 0.000 0.533 405 Q N 0.517 120.316 119.800 -0.002 0.000 2.297 405 Q HA -0.022 4.321 4.340 0.004 0.000 0.204 405 Q C 1.943 177.951 176.000 0.014 0.000 0.962 405 Q CA 0.794 56.588 55.803 -0.016 0.000 0.879 405 Q CB 0.203 28.910 28.738 -0.052 0.000 0.947 405 Q HN 0.411 nan 8.270 nan 0.000 0.462 406 A N -0.680 122.167 122.820 0.045 0.000 2.251 406 A HA 0.335 4.657 4.320 0.004 0.000 0.209 406 A C 1.306 179.006 177.584 0.194 0.000 1.187 406 A CA 0.688 52.816 52.037 0.152 0.000 0.823 406 A CB -0.086 19.037 19.000 0.205 0.000 0.846 406 A HN 0.528 nan 8.150 nan 0.000 0.486 407 G N -1.849 107.015 108.800 0.105 0.000 2.130 407 G HA2 -0.208 3.755 3.960 0.004 0.000 0.216 407 G HA3 -0.208 3.755 3.960 0.004 0.000 0.216 407 G C -0.140 174.675 174.900 -0.141 0.000 0.999 407 G CA 0.088 45.163 45.100 -0.042 0.000 0.686 407 G HN 0.259 nan 8.290 nan 0.000 0.515 408 F N 0.738 120.585 119.950 -0.172 0.000 2.411 408 F HA 0.638 5.167 4.527 0.004 0.000 0.324 408 F C 0.904 176.584 175.800 -0.200 0.000 1.086 408 F CA -1.019 56.849 58.000 -0.219 0.000 1.028 408 F CB 0.840 39.618 39.000 -0.369 0.000 1.284 408 F HN 0.031 nan 8.300 nan 0.000 0.501 409 E N 0.439 120.559 120.200 -0.134 0.000 2.166 409 E HA 0.443 4.795 4.350 0.004 0.000 0.275 409 E C -0.711 175.363 176.600 -0.878 0.000 0.941 409 E CA -0.555 55.623 56.400 -0.369 0.000 0.784 409 E CB 1.845 31.403 29.700 -0.238 0.000 1.115 409 E HN 0.662 nan 8.360 nan 0.000 0.399 410 T N 0.354 114.515 114.554 -0.655 0.000 2.883 410 T HA 0.637 4.990 4.350 0.004 0.000 0.284 410 T C -0.216 174.141 174.700 -0.572 0.000 1.041 410 T CA -1.094 60.568 62.100 -0.730 0.000 1.007 410 T CB 2.125 70.714 68.868 -0.465 0.000 1.220 410 T HN 0.243 nan 8.240 nan 0.000 0.552 411 R N 0.874 121.157 120.500 -0.361 0.000 2.745 411 R HA 0.283 4.625 4.340 0.004 0.000 0.290 411 R C -1.722 174.545 176.300 -0.055 0.000 1.260 411 R CA -0.546 55.485 56.100 -0.115 0.000 1.045 411 R CB 0.706 30.986 30.300 -0.033 0.000 1.257 411 R HN 0.851 nan 8.270 nan 0.000 0.400 412 I N 6.196 126.756 120.570 -0.017 0.000 2.347 412 I HA 0.153 4.325 4.170 0.004 0.000 0.294 412 I C 0.557 176.707 176.117 0.056 0.000 1.090 412 I CA -0.244 61.066 61.300 0.017 0.000 1.314 412 I CB 0.582 38.582 38.000 0.000 0.000 1.423 412 I HN 0.296 nan 8.210 nan 0.000 0.503 413 L N 7.641 128.920 121.223 0.094 0.000 2.325 413 L HA 0.281 4.624 4.340 0.004 0.000 0.284 413 L C 0.622 177.538 176.870 0.077 0.000 1.089 413 L CA -0.285 54.616 54.840 0.102 0.000 0.836 413 L CB 0.055 42.197 42.059 0.139 0.000 1.184 413 L HN 0.473 nan 8.230 nan 0.000 0.444 414 R N 3.895 124.428 120.500 0.054 0.000 2.391 414 R HA 0.459 4.801 4.340 0.004 0.000 0.310 414 R C 0.324 176.659 176.300 0.058 0.000 1.174 414 R CA -0.061 56.060 56.100 0.035 0.000 1.118 414 R CB 0.903 31.212 30.300 0.015 0.000 1.134 414 R HN 0.910 nan 8.270 nan 0.000 0.524 415 G N 0.951 109.822 108.800 0.118 0.000 2.712 415 G HA2 -0.235 3.728 3.960 0.004 0.000 0.683 415 G HA3 -0.235 3.728 3.960 0.004 0.000 0.683 415 G C 0.181 175.135 174.900 0.091 0.000 1.320 415 G CA -0.906 44.284 45.100 0.150 0.000 0.847 415 G HN 0.502 nan 8.290 nan 0.000 0.553 416 L N -0.056 121.187 121.223 0.034 0.000 2.611 416 L HA 0.226 4.568 4.340 0.004 0.000 0.229 416 L C 1.835 178.657 176.870 -0.080 0.000 1.137 416 L CA 0.357 55.160 54.840 -0.062 0.000 0.901 416 L CB 0.054 42.029 42.059 -0.139 0.000 1.098 416 L HN 0.578 nan 8.230 nan 0.000 0.456 417 D N 0.192 120.569 120.400 -0.038 0.000 2.194 417 D HA -0.179 4.464 4.640 0.004 0.000 0.204 417 D C 2.010 178.284 176.300 -0.042 0.000 0.964 417 D CA 0.730 54.706 54.000 -0.040 0.000 0.846 417 D CB 0.279 41.070 40.800 -0.014 0.000 0.962 417 D HN 0.252 nan 8.370 nan 0.000 0.490 418 E N -0.225 119.958 120.200 -0.028 0.000 2.478 418 E HA -0.070 4.282 4.350 0.004 0.000 0.198 418 E C -0.206 176.359 176.600 -0.059 0.000 1.046 418 E CA 0.012 56.400 56.400 -0.021 0.000 0.870 418 E CB 0.224 29.932 29.700 0.014 0.000 0.818 418 E HN 0.099 nan 8.360 nan 0.000 0.527 419 L N 0.193 121.348 121.223 -0.113 0.000 2.371 419 L HA 0.439 4.781 4.340 0.004 0.000 0.272 419 L C 0.610 177.317 176.870 -0.271 0.000 1.124 419 L CA 0.370 55.086 54.840 -0.207 0.000 0.816 419 L CB 1.554 43.447 42.059 -0.276 0.000 1.129 419 L HN 0.014 nan 8.230 nan 0.000 0.448 420 G N 1.344 109.955 108.800 -0.315 0.000 2.649 420 G HA2 0.486 4.448 3.960 0.004 0.000 0.290 420 G HA3 0.486 4.448 3.960 0.004 0.000 0.290 420 G C -2.119 172.617 174.900 -0.273 0.000 1.426 420 G CA -0.513 44.418 45.100 -0.281 0.000 0.794 420 G HN 0.309 nan 8.290 nan 0.000 0.483 421 W N 0.753 122.054 121.300 0.002 0.000 2.639 421 W HA 0.398 5.061 4.660 0.004 0.000 0.347 421 W C -0.185 176.336 176.519 0.004 0.000 1.067 421 W CA -0.357 56.989 57.345 0.002 0.000 1.218 421 W CB 2.100 31.567 29.460 0.013 0.000 1.393 421 W HN 0.819 nan 8.180 nan 0.000 0.557 422 D N -0.018 120.527 120.400 0.242 0.000 2.425 422 D HA 0.371 5.013 4.640 0.004 0.000 0.274 422 D C 1.111 177.480 176.300 0.114 0.000 1.242 422 D CA -0.276 53.804 54.000 0.133 0.000 1.060 422 D CB -0.074 40.778 40.800 0.087 0.000 1.112 422 D HN 0.222 nan 8.370 nan 0.000 0.561 423 A N -0.557 122.301 122.820 0.063 0.000 1.898 423 A HA 0.138 4.460 4.320 0.004 0.000 0.216 423 A C 2.182 179.773 177.584 0.011 0.000 1.181 423 A CA 2.137 54.193 52.037 0.033 0.000 0.620 423 A CB -1.390 17.622 19.000 0.020 0.000 0.819 423 A HN 0.646 nan 8.150 nan 0.000 0.442 424 A N -1.835 120.997 122.820 0.019 0.000 1.969 424 A HA 0.338 4.661 4.320 0.004 0.000 0.218 424 A C 1.825 179.403 177.584 -0.010 0.000 1.169 424 A CA 1.834 53.874 52.037 0.005 0.000 0.635 424 A CB -0.675 18.335 19.000 0.017 0.000 0.810 424 A HN 1.856 nan 8.150 nan 0.000 0.445 425 G N -1.977 106.834 108.800 0.018 0.000 2.155 425 G HA2 -0.097 3.865 3.960 0.004 0.000 0.130 425 G HA3 -0.097 3.865 3.960 0.004 0.000 0.130 425 G C -0.162 174.835 174.900 0.162 0.000 1.027 425 G CA -0.023 45.064 45.100 -0.022 0.000 0.705 425 G HN 0.489 nan 8.290 nan 0.000 0.496 426 Q N -0.161 119.762 119.800 0.205 0.000 2.230 426 Q HA 0.556 4.898 4.340 0.004 0.000 0.248 426 Q C 0.266 176.419 176.000 0.256 0.000 0.915 426 Q CA -0.518 55.413 55.803 0.213 0.000 0.900 426 Q CB 1.782 30.585 28.738 0.109 0.000 1.229 426 Q HN 0.324 nan 8.270 nan 0.000 0.439 427 L N 4.829 126.141 121.223 0.148 0.000 2.385 427 L HA 0.271 4.613 4.340 0.004 0.000 0.281 427 L C -0.042 176.775 176.870 -0.088 0.000 1.106 427 L CA -0.068 54.746 54.840 -0.043 0.000 0.856 427 L CB -0.075 41.934 42.059 -0.083 0.000 1.186 427 L HN 0.470 nan 8.230 nan 0.000 0.453 428 I N -0.253 120.249 120.570 -0.114 0.000 2.693 428 I HA 0.553 4.725 4.170 0.004 0.000 0.303 428 I C -0.338 175.704 176.117 -0.125 0.000 1.025 428 I CA -0.990 60.253 61.300 -0.095 0.000 1.086 428 I CB 1.851 39.829 38.000 -0.037 0.000 1.268 428 I HN 0.393 nan 8.210 nan 0.000 0.440 429 D N 3.631 123.982 120.400 -0.083 0.000 2.496 429 D HA 0.262 4.905 4.640 0.004 0.000 0.283 429 D C 1.237 177.538 176.300 0.001 0.000 1.214 429 D CA 0.001 53.987 54.000 -0.023 0.000 1.089 429 D CB 0.081 40.977 40.800 0.160 0.000 1.141 429 D HN 0.676 nan 8.370 nan 0.000 0.580 430 G N -0.714 108.108 108.800 0.036 0.000 2.453 430 G HA2 -0.296 3.667 3.960 0.004 0.000 0.215 430 G HA3 -0.296 3.667 3.960 0.004 0.000 0.215 430 G C 1.320 176.231 174.900 0.018 0.000 1.201 430 G CA 0.946 46.060 45.100 0.022 0.000 0.784 430 G HN 0.553 nan 8.290 nan 0.000 0.545 431 E N 0.333 120.550 120.200 0.028 0.000 2.448 431 E HA 0.086 4.439 4.350 0.004 0.000 0.203 431 E C 1.883 178.480 176.600 -0.006 0.000 1.046 431 E CA 1.073 57.479 56.400 0.009 0.000 0.871 431 E CB -0.580 29.122 29.700 0.004 0.000 0.790 431 E HN 0.590 nan 8.360 nan 0.000 0.545 432 G N 0.162 108.959 108.800 -0.005 0.000 2.176 432 G HA2 -0.342 3.621 3.960 0.004 0.000 0.232 432 G HA3 -0.342 3.621 3.960 0.004 0.000 0.232 432 G C 0.268 175.152 174.900 -0.027 0.000 0.986 432 G CA 0.179 45.271 45.100 -0.013 0.000 0.643 432 G HN 0.491 nan 8.290 nan 0.000 0.522 433 R N 0.212 120.688 120.500 -0.040 0.000 2.577 433 R HA 0.731 5.074 4.340 0.004 0.000 0.269 433 R C 0.306 176.569 176.300 -0.061 0.000 1.084 433 R CA -0.846 55.211 56.100 -0.071 0.000 1.163 433 R CB 0.799 31.003 30.300 -0.160 0.000 1.100 433 R HN 0.173 nan 8.270 nan 0.000 0.547 434 L N 1.581 122.766 121.223 -0.063 0.000 2.426 434 L HA 0.180 4.523 4.340 0.004 0.000 0.271 434 L C -0.322 176.493 176.870 -0.092 0.000 1.169 434 L CA -0.638 54.168 54.840 -0.058 0.000 0.836 434 L CB 1.476 43.525 42.059 -0.018 0.000 1.112 434 L HN 0.432 nan 8.230 nan 0.000 0.465 435 V N 3.081 122.886 119.914 -0.182 0.000 2.277 435 V HA 0.134 4.257 4.120 0.004 0.000 0.269 435 V C 0.204 176.259 176.094 -0.064 0.000 1.036 435 V CA -0.389 61.718 62.300 -0.323 0.000 0.821 435 V CB 0.746 32.270 31.823 -0.498 0.000 1.052 435 V HN 0.929 nan 8.190 nan 0.000 0.462 436 N N 1.772 120.514 118.700 0.070 0.000 2.171 436 N HA 0.178 4.920 4.740 0.004 0.000 0.212 436 N C -0.151 175.470 175.510 0.184 0.000 1.184 436 N CA -0.201 52.918 53.050 0.115 0.000 0.888 436 N CB 0.816 39.372 38.487 0.115 0.000 1.038 436 N HN 0.462 nan 8.380 nan 0.000 0.517 437 C N 1.081 120.528 119.300 0.246 0.000 2.607 437 C HA 0.791 5.253 4.460 0.004 0.000 0.350 437 C C -1.104 174.079 174.990 0.322 0.000 1.101 437 C CA -0.616 58.587 59.018 0.308 0.000 1.282 437 C CB 0.149 28.088 27.740 0.332 0.000 1.825 437 C HN 0.261 nan 8.230 nan 0.000 0.460 438 V N 3.123 123.237 119.914 0.333 0.000 2.841 438 V HA 0.812 4.935 4.120 0.004 0.000 0.310 438 V C -1.311 175.027 176.094 0.407 0.000 1.090 438 V CA -0.654 61.831 62.300 0.308 0.000 0.930 438 V CB 1.818 33.756 31.823 0.192 0.000 1.014 438 V HN 1.015 nan 8.190 nan 0.000 0.425 439 W N 6.152 127.561 121.300 0.182 0.000 2.294 439 W HA 0.694 5.356 4.660 0.004 0.000 0.314 439 W C 0.096 176.693 176.519 0.130 0.000 1.044 439 W CA -0.757 56.726 57.345 0.231 0.000 1.284 439 W CB 1.405 30.978 29.460 0.188 0.000 1.231 439 W HN 0.899 nan 8.180 nan 0.000 0.419 440 K N 2.412 122.490 120.400 -0.538 0.000 2.090 440 K HA 0.589 4.911 4.320 0.004 0.000 0.249 440 K C 0.588 176.633 176.600 -0.926 0.000 0.995 440 K CA -0.093 55.869 56.287 -0.542 0.000 0.914 440 K CB 1.706 34.028 32.500 -0.297 0.000 1.057 440 K HN 0.428 nan 8.250 nan 0.000 0.462 441 T N -3.343 110.834 114.554 -0.629 0.000 2.969 441 T HA 0.118 4.471 4.350 0.004 0.000 0.250 441 T C -0.077 174.369 174.700 -0.423 0.000 1.021 441 T CA -0.617 61.134 62.100 -0.582 0.000 1.003 441 T CB -0.249 68.317 68.868 -0.503 0.000 1.040 441 T HN 0.567 nan 8.240 nan 0.000 0.492 442 W N 2.638 123.723 121.300 -0.358 0.000 2.193 442 W HA 0.594 5.257 4.660 0.004 0.000 0.338 442 W C 0.703 177.012 176.519 -0.349 0.000 1.310 442 W CA -0.655 56.504 57.345 -0.311 0.000 1.243 442 W CB 0.285 29.550 29.460 -0.325 0.000 1.165 442 W HN 0.278 nan 8.180 nan 0.000 0.566 443 A N 3.368 126.183 122.820 -0.008 0.000 2.354 443 A HA 0.250 4.572 4.320 0.004 0.000 0.269 443 A C 0.241 177.737 177.584 -0.147 0.000 1.109 443 A CA -0.631 51.361 52.037 -0.076 0.000 0.800 443 A CB 0.220 19.207 19.000 -0.023 0.000 1.045 443 A HN 0.916 nan 8.150 nan 0.000 0.489 444 W N 0.602 121.742 121.300 -0.267 0.000 2.321 444 W HA -0.173 4.490 4.660 0.005 0.000 0.306 444 W C 1.914 177.933 176.519 -0.833 0.000 1.217 444 W CA 1.806 58.828 57.345 -0.540 0.000 1.257 444 W CB 0.009 29.068 29.460 -0.667 0.000 1.145 444 W HN 0.897 nan 8.180 nan 0.000 0.509 445 E N -0.279 119.711 120.200 -0.351 0.000 2.273 445 E HA -0.182 4.171 4.350 0.004 0.000 0.198 445 E C 1.881 178.493 176.600 0.019 0.000 1.002 445 E CA 1.967 58.271 56.400 -0.160 0.000 0.828 445 E CB -0.365 29.383 29.700 0.081 0.000 0.747 445 E HN 0.107 nan 8.360 nan 0.000 0.491 446 T N -0.415 114.130 114.554 -0.015 0.000 2.737 446 T HA -0.094 4.258 4.350 0.004 0.000 0.265 446 T C 1.840 176.541 174.700 0.001 0.000 1.038 446 T CA 1.395 63.514 62.100 0.032 0.000 1.144 446 T CB -0.467 68.435 68.868 0.056 0.000 0.866 446 T HN 0.340 nan 8.240 nan 0.000 0.434 447 A N 0.939 123.716 122.820 -0.072 0.000 1.933 447 A HA -0.005 4.317 4.320 0.004 0.000 0.218 447 A C 2.089 179.815 177.584 0.236 0.000 1.175 447 A CA 1.219 53.252 52.037 -0.005 0.000 0.628 447 A CB -1.131 17.844 19.000 -0.042 0.000 0.814 447 A HN 0.579 nan 8.150 nan 0.000 0.444 448 F N 0.047 120.070 119.950 0.120 0.000 2.126 448 F HA -0.261 4.269 4.527 0.004 0.000 0.299 448 F C 2.309 178.155 175.800 0.076 0.000 1.096 448 F CA 0.804 58.876 58.000 0.120 0.000 1.255 448 F CB -0.292 38.797 39.000 0.149 0.000 0.997 448 F HN 0.240 nan 8.300 nan 0.000 0.479 449 D N 0.368 120.927 120.400 0.266 0.000 2.106 449 D HA -0.221 4.422 4.640 0.004 0.000 0.191 449 D C 2.079 178.439 176.300 0.101 0.000 0.997 449 D CA 1.373 55.465 54.000 0.152 0.000 0.834 449 D CB -0.620 40.245 40.800 0.107 0.000 0.956 449 D HN 0.398 nan 8.370 nan 0.000 0.448 450 Q N -0.244 119.604 119.800 0.080 0.000 2.376 450 Q HA -0.117 4.225 4.340 0.004 0.000 0.211 450 Q C 2.250 178.282 176.000 0.054 0.000 0.986 450 Q CA 0.559 56.389 55.803 0.044 0.000 0.886 450 Q CB 0.047 28.791 28.738 0.011 0.000 0.927 450 Q HN 0.433 nan 8.270 nan 0.000 0.457 451 I N 0.008 120.628 120.570 0.083 0.000 2.494 451 I HA -0.126 4.046 4.170 0.004 0.000 0.250 451 I C 1.134 177.268 176.117 0.028 0.000 1.112 451 I CA 0.330 61.661 61.300 0.053 0.000 1.438 451 I CB 0.054 38.086 38.000 0.054 0.000 1.111 451 I HN -0.034 nan 8.210 nan 0.000 0.431 452 R N 2.227 122.751 120.500 0.041 0.000 4.825 452 R HA 0.031 4.373 4.340 0.004 0.000 0.189 452 R C -0.602 175.708 176.300 0.017 0.000 2.283 452 R CA 0.492 56.606 56.100 0.024 0.000 1.847 452 R CB -0.545 29.781 30.300 0.044 0.000 1.229 452 R HN 0.480 nan 8.270 nan 0.000 0.742 461 A N -1.442 121.357 122.820 -0.035 0.000 2.624 461 A HA 0.468 4.790 4.320 0.004 0.000 0.303 461 A C -0.396 177.180 177.584 -0.013 0.000 0.885 461 A CA -0.192 51.830 52.037 -0.025 0.000 0.639 461 A CB -0.756 18.236 19.000 -0.014 0.000 1.263 461 A HN 1.413 nan 8.150 nan 0.000 0.396 462 V N 2.454 122.368 119.914 -0.001 0.000 2.628 462 V HA 0.123 4.246 4.120 0.004 0.000 0.282 462 V C -1.456 174.654 176.094 0.025 0.000 0.968 462 V CA 0.894 63.206 62.300 0.020 0.000 1.171 462 V CB -0.620 31.233 31.823 0.050 0.000 0.899 462 V HN 0.669 nan 8.190 nan 0.000 0.462 463 P HA 0.307 nan 4.420 nan 0.000 0.268 463 P C -0.437 176.885 177.300 0.037 0.000 1.485 463 P CA 0.031 63.142 63.100 0.019 0.000 1.102 463 P CB 0.209 31.915 31.700 0.011 0.000 1.501 464 I N 0.040 120.636 120.570 0.042 0.000 2.569 464 I HA 0.584 4.757 4.170 0.004 0.000 0.296 464 I C -0.138 176.008 176.117 0.048 0.000 1.028 464 I CA -1.627 59.715 61.300 0.070 0.000 1.082 464 I CB 2.587 40.644 38.000 0.095 0.000 1.264 464 I HN -0.045 nan 8.210 nan 0.000 0.429 465 R N 2.683 123.234 120.500 0.084 0.000 2.459 465 R HA 0.422 4.765 4.340 0.004 0.000 0.281 465 R C 0.124 176.292 176.300 -0.219 0.000 1.050 465 R CA -0.085 55.977 56.100 -0.064 0.000 1.055 465 R CB 1.141 31.433 30.300 -0.013 0.000 1.045 465 R HN 0.875 nan 8.270 nan 0.000 0.495 466 T N -2.145 112.077 114.554 -0.552 0.000 3.200 466 T HA 0.359 4.712 4.350 0.004 0.000 0.284 466 T C 0.353 174.315 174.700 -1.229 0.000 1.009 466 T CA -0.379 61.300 62.100 -0.702 0.000 0.907 466 T CB 0.845 69.541 68.868 -0.286 0.000 1.120 466 T HN 0.768 nan 8.240 nan 0.000 0.534 467 G N 0.141 107.974 108.800 -1.611 0.000 2.429 467 G HA2 0.459 4.422 3.960 0.004 0.000 0.300 467 G HA3 0.459 4.422 3.960 0.004 0.000 0.300 467 G C -2.310 172.229 174.900 -0.601 0.000 1.598 467 G CA -0.742 43.737 45.100 -1.036 0.000 0.863 467 G HN 0.428 nan 8.290 nan 0.000 0.614 468 H N 2.772 121.689 119.070 -0.254 0.000 3.087 468 H HA 0.335 4.894 4.556 0.004 0.000 0.348 468 H C -1.950 173.416 175.328 0.063 0.000 1.092 468 H CA -0.975 55.059 56.048 -0.024 0.000 1.285 468 H CB 3.296 33.176 29.762 0.198 0.000 1.875 468 H HN 0.357 nan 8.280 nan 0.000 0.512 469 P HA -0.197 nan 4.420 nan 0.000 0.218 469 P C 0.532 177.846 177.300 0.024 0.000 1.152 469 P CA 1.422 64.423 63.100 -0.164 0.000 0.857 469 P CB 0.542 32.085 31.700 -0.262 0.000 0.787 470 Q N -2.100 117.823 119.800 0.205 0.000 2.282 470 Q HA 0.178 4.521 4.340 0.004 0.000 0.206 470 Q C 0.194 176.390 176.000 0.326 0.000 0.878 470 Q CA -0.166 55.805 55.803 0.280 0.000 0.944 470 Q CB -0.199 28.706 28.738 0.279 0.000 1.100 470 Q HN 0.085 nan 8.270 nan 0.000 0.509 471 N N 1.476 120.459 118.700 0.472 0.000 2.780 471 N HA -0.205 4.538 4.740 0.004 0.000 0.248 471 N C -0.982 174.639 175.510 0.185 0.000 1.102 471 N CA 0.628 53.910 53.050 0.387 0.000 0.697 471 N CB -0.687 37.920 38.487 0.199 0.000 1.028 471 N HN 0.526 nan 8.380 nan 0.000 0.554 472 E N 0.757 121.000 120.200 0.071 0.000 1.893 472 E HA 0.247 4.600 4.350 0.004 0.000 0.269 472 E C -0.315 176.183 176.600 -0.171 0.000 1.129 472 E CA -0.396 55.875 56.400 -0.214 0.000 0.904 472 E CB 0.395 29.815 29.700 -0.467 0.000 1.077 472 E HN 0.061 nan 8.360 nan 0.000 0.407 473 V N 5.130 124.848 119.914 -0.326 0.000 2.530 473 V HA 0.273 4.396 4.120 0.004 0.000 0.282 473 V C 0.583 176.514 176.094 -0.271 0.000 1.048 473 V CA -0.206 61.775 62.300 -0.531 0.000 0.997 473 V CB 1.113 32.417 31.823 -0.866 0.000 0.987 473 V HN 0.656 nan 8.190 nan 0.000 0.477 474 R N 2.651 123.055 120.500 -0.159 0.000 2.782 474 R HA 0.471 4.814 4.340 0.004 0.000 0.258 474 R C 1.169 177.328 176.300 -0.236 0.000 1.055 474 R CA -0.945 55.051 56.100 -0.174 0.000 1.065 474 R CB 1.048 31.287 30.300 -0.102 0.000 1.172 474 R HN 0.574 nan 8.270 nan 0.000 0.510 475 L N 1.195 122.213 121.223 -0.341 0.000 1.989 475 L HA -0.185 4.158 4.340 0.004 0.000 0.211 475 L C 2.046 178.736 176.870 -0.300 0.000 1.071 475 L CA 1.870 56.421 54.840 -0.481 0.000 0.749 475 L CB -0.248 41.373 42.059 -0.730 0.000 0.890 475 L HN 0.725 nan 8.230 nan 0.000 0.431 476 I N -0.051 120.411 120.570 -0.181 0.000 2.567 476 I HA -0.288 3.885 4.170 0.004 0.000 0.257 476 I C 1.248 177.366 176.117 0.002 0.000 1.184 476 I CA 1.361 62.630 61.300 -0.052 0.000 1.451 476 I CB -0.269 37.742 38.000 0.019 0.000 1.089 476 I HN 0.355 nan 8.210 nan 0.000 0.441 477 D N 0.067 120.465 120.400 -0.003 0.000 2.378 477 D HA -0.040 4.603 4.640 0.004 0.000 0.227 477 D C 1.683 178.014 176.300 0.052 0.000 1.012 477 D CA 0.615 54.673 54.000 0.097 0.000 0.905 477 D CB 0.539 41.463 40.800 0.206 0.000 0.895 477 D HN 0.309 nan 8.370 nan 0.000 0.532 478 V N -0.425 119.462 119.914 -0.045 0.000 3.054 478 V HA 0.018 4.140 4.120 0.004 0.000 0.227 478 V C 2.349 178.425 176.094 -0.030 0.000 1.252 478 V CA -0.002 62.260 62.300 -0.063 0.000 1.279 478 V CB -0.120 31.613 31.823 -0.150 0.000 1.118 478 V HN 0.038 nan 8.190 nan 0.000 0.504 479 L N 0.273 121.437 121.223 -0.097 0.000 2.191 479 L HA -0.080 4.263 4.340 0.004 0.000 0.212 479 L C 1.871 178.832 176.870 0.152 0.000 1.103 479 L CA 1.060 55.845 54.840 -0.091 0.000 0.769 479 L CB -0.329 41.472 42.059 -0.430 0.000 0.908 479 L HN 0.299 nan 8.230 nan 0.000 0.438 480 L N -0.272 121.048 121.223 0.161 0.000 2.700 480 L HA 0.156 4.498 4.340 0.004 0.000 0.234 480 L C 0.987 177.952 176.870 0.158 0.000 1.156 480 L CA 0.371 55.345 54.840 0.224 0.000 0.946 480 L CB -0.486 41.712 42.059 0.230 0.000 1.216 480 L HN 0.183 nan 8.230 nan 0.000 0.493 481 R N 1.731 122.309 120.500 0.131 0.000 2.309 481 R HA 0.096 4.439 4.340 0.004 0.000 0.331 481 R C -1.221 175.151 176.300 0.119 0.000 1.116 481 R CA -1.328 54.845 56.100 0.121 0.000 0.970 481 R CB 0.794 31.164 30.300 0.117 0.000 1.024 481 R HN -0.032 nan 8.270 nan 0.000 0.472 482 P HA -0.305 nan 4.420 nan 0.000 0.226 482 P C 0.468 177.830 177.300 0.104 0.000 1.154 482 P CA 1.864 65.027 63.100 0.105 0.000 0.901 482 P CB 0.103 31.855 31.700 0.086 0.000 0.788 483 E N -0.942 119.317 120.200 0.097 0.000 2.478 483 E HA -0.006 4.346 4.350 0.004 0.000 0.198 483 E C -0.033 176.630 176.600 0.105 0.000 1.046 483 E CA 0.271 56.728 56.400 0.094 0.000 0.870 483 E CB -0.273 29.477 29.700 0.083 0.000 0.818 483 E HN 0.023 nan 8.360 nan 0.000 0.527 484 V N 2.011 121.993 119.914 0.114 0.000 2.509 484 V HA 0.169 4.292 4.120 0.004 0.000 0.284 484 V C -0.212 175.974 176.094 0.154 0.000 1.047 484 V CA -0.904 61.471 62.300 0.126 0.000 0.952 484 V CB 1.437 33.324 31.823 0.106 0.000 0.988 484 V HN 0.200 nan 8.190 nan 0.000 0.469 485 L N 6.494 127.829 121.223 0.186 0.000 2.268 485 L HA 0.481 4.824 4.340 0.004 0.000 0.289 485 L C -0.186 176.836 176.870 0.253 0.000 1.064 485 L CA 0.476 55.436 54.840 0.200 0.000 0.824 485 L CB 0.957 43.172 42.059 0.261 0.000 1.202 485 L HN 0.485 nan 8.230 nan 0.000 0.433 486 V N 5.417 125.434 119.914 0.172 0.000 2.612 486 V HA 0.494 4.616 4.120 0.004 0.000 0.301 486 V C -0.499 175.638 176.094 0.072 0.000 1.046 486 V CA -0.435 62.001 62.300 0.226 0.000 0.946 486 V CB 1.577 33.562 31.823 0.270 0.000 1.003 486 V HN 0.485 nan 8.190 nan 0.000 0.459 487 F N 1.354 121.471 119.950 0.278 0.000 2.557 487 F HA 0.476 5.006 4.527 0.005 0.000 0.316 487 F C 0.353 176.276 175.800 0.204 0.000 1.141 487 F CA -0.778 57.403 58.000 0.301 0.000 0.922 487 F CB 1.690 40.983 39.000 0.488 0.000 1.194 487 F HN 0.396 nan 8.300 nan 0.000 0.443 488 E N 3.263 123.623 120.200 0.267 0.000 2.392 488 E HA 0.246 4.599 4.350 0.004 0.000 0.259 488 E C -2.322 174.353 176.600 0.125 0.000 1.108 488 E CA -1.841 54.665 56.400 0.175 0.000 0.916 488 E CB 0.220 29.954 29.700 0.056 0.000 0.989 488 E HN 0.208 nan 8.360 nan 0.000 0.432 489 P HA -0.060 nan 4.420 nan 0.000 0.271 489 P C 0.945 177.986 177.300 -0.431 0.000 1.238 489 P CA -0.239 62.720 63.100 -0.236 0.000 0.794 489 P CB 0.475 31.985 31.700 -0.316 0.000 0.959 490 L N 2.202 123.114 121.223 -0.518 0.000 2.017 490 L HA -0.107 4.235 4.340 0.004 0.000 0.208 490 L C 1.970 178.434 176.870 -0.677 0.000 1.073 490 L CA 1.591 55.800 54.840 -1.051 0.000 0.745 490 L CB -1.510 40.115 42.059 -0.723 0.000 0.894 490 L HN 0.567 nan 8.230 nan 0.000 0.432 491 W N -0.595 120.563 121.300 -0.238 0.000 2.387 491 W HA -0.207 4.456 4.660 0.005 0.000 0.272 491 W C 1.844 178.263 176.519 -0.166 0.000 1.224 491 W CA 1.246 58.491 57.345 -0.166 0.000 1.210 491 W CB -2.036 27.434 29.460 0.016 0.000 1.125 491 W HN 0.475 nan 8.180 nan 0.000 0.572 492 T N 0.314 114.306 114.554 -0.936 0.000 3.025 492 T HA -0.179 4.173 4.350 0.004 0.000 0.270 492 T C 1.777 176.287 174.700 -0.316 0.000 1.126 492 T CA 1.736 63.370 62.100 -0.777 0.000 1.105 492 T CB -0.914 67.486 68.868 -0.780 0.000 0.884 492 T HN 0.213 nan 8.240 nan 0.000 0.522 493 V N -1.414 118.346 119.914 -0.256 0.000 3.217 493 V HA 0.149 4.272 4.120 0.004 0.000 0.264 493 V C 2.230 178.337 176.094 0.023 0.000 1.135 493 V CA 0.254 62.504 62.300 -0.083 0.000 1.142 493 V CB -1.000 30.798 31.823 -0.042 0.000 0.754 493 V HN 0.323 nan 8.190 nan 0.000 0.484 494 I N 1.527 122.080 120.570 -0.028 0.000 2.193 494 I HA 0.019 4.192 4.170 0.004 0.000 0.240 494 I C 0.374 176.586 176.117 0.159 0.000 1.084 494 I CA 1.205 62.483 61.300 -0.038 0.000 1.365 494 I CB -2.402 35.447 38.000 -0.253 0.000 1.064 494 I HN 0.343 nan 8.210 nan 0.000 0.410 495 P HA -0.054 nan 4.420 nan 0.000 0.226 495 P C 1.378 178.797 177.300 0.198 0.000 1.153 495 P CA 1.315 64.590 63.100 0.291 0.000 0.777 495 P CB -0.106 31.778 31.700 0.306 0.000 0.794 496 G N -0.566 108.262 108.800 0.046 0.000 2.880 496 G HA2 -0.072 3.891 3.960 0.004 0.000 0.209 496 G HA3 -0.072 3.891 3.960 0.004 0.000 0.209 496 G C 0.522 175.463 174.900 0.069 0.000 1.157 496 G CA -0.226 44.874 45.100 -0.000 0.000 0.779 496 G HN 0.347 nan 8.290 nan 0.000 0.539 497 N N -0.274 118.521 118.700 0.158 0.000 2.426 497 N HA 0.246 4.988 4.740 0.004 0.000 0.275 497 N C 0.949 176.500 175.510 0.069 0.000 1.019 497 N CA -0.570 52.570 53.050 0.151 0.000 0.941 497 N CB 0.939 39.635 38.487 0.348 0.000 1.123 497 N HN -0.209 nan 8.380 nan 0.000 0.486 498 K N 2.502 122.877 120.400 -0.040 0.000 2.360 498 K HA -0.044 4.279 4.320 0.004 0.000 0.201 498 K C 1.585 178.039 176.600 -0.245 0.000 1.046 498 K CA 0.833 57.053 56.287 -0.111 0.000 0.945 498 K CB -0.001 32.412 32.500 -0.145 0.000 0.750 498 K HN 0.652 nan 8.250 nan 0.000 0.464 499 A N 0.566 123.154 122.820 -0.386 0.000 2.186 499 A HA -0.136 4.187 4.320 0.004 0.000 0.219 499 A C 1.966 179.234 177.584 -0.526 0.000 1.159 499 A CA 1.007 52.692 52.037 -0.587 0.000 0.680 499 A CB -0.584 17.716 19.000 -1.166 0.000 0.787 499 A HN 0.411 nan 8.150 nan 0.000 0.467 500 I N -1.104 119.313 120.570 -0.256 0.000 2.876 500 I HA -0.064 4.109 4.170 0.004 0.000 0.264 500 I C 1.926 177.997 176.117 -0.076 0.000 1.204 500 I CA 0.424 61.748 61.300 0.042 0.000 1.485 500 I CB -0.001 38.138 38.000 0.231 0.000 1.103 500 I HN 0.311 nan 8.210 nan 0.000 0.446 501 L N 1.475 122.610 121.223 -0.146 0.000 2.017 501 L HA -0.126 4.217 4.340 0.004 0.000 0.208 501 L C -0.435 176.350 176.870 -0.142 0.000 1.073 501 L CA 1.607 56.356 54.840 -0.152 0.000 0.745 501 L CB -1.954 40.006 42.059 -0.165 0.000 0.894 501 L HN 0.213 nan 8.230 nan 0.000 0.432 502 P HA -0.125 nan 4.420 nan 0.000 0.222 502 P C 1.700 179.013 177.300 0.022 0.000 1.147 502 P CA 1.314 64.295 63.100 -0.198 0.000 0.790 502 P CB 0.102 31.441 31.700 -0.603 0.000 0.780 503 I N -1.669 118.911 120.570 0.017 0.000 2.406 503 I HA -0.153 4.019 4.170 0.004 0.000 0.249 503 I C 2.157 178.287 176.117 0.022 0.000 1.122 503 I CA 0.968 62.299 61.300 0.051 0.000 1.431 503 I CB -0.483 37.562 38.000 0.075 0.000 1.087 503 I HN -0.100 nan 8.210 nan 0.000 0.424 504 L N -0.113 121.122 121.223 0.020 0.000 2.083 504 L HA -0.253 4.090 4.340 0.004 0.000 0.209 504 L C 2.485 179.452 176.870 0.162 0.000 1.083 504 L CA 1.583 56.465 54.840 0.070 0.000 0.752 504 L CB -0.457 41.575 42.059 -0.046 0.000 0.899 504 L HN 0.521 nan 8.230 nan 0.000 0.433 505 W N -0.147 121.116 121.300 -0.062 0.000 2.381 505 W HA -0.236 4.427 4.660 0.004 0.000 0.301 505 W C 2.783 179.263 176.519 -0.066 0.000 1.205 505 W CA 1.500 58.807 57.345 -0.063 0.000 1.285 505 W CB -0.044 29.356 29.460 -0.100 0.000 1.133 505 W HN 0.216 nan 8.180 nan 0.000 0.521 506 S N 0.800 116.514 115.700 0.023 0.000 2.370 506 S HA -0.217 4.256 4.470 0.004 0.000 0.226 506 S C 1.917 176.396 174.600 -0.203 0.000 1.033 506 S CA 1.690 59.835 58.200 -0.091 0.000 1.011 506 S CB -0.540 62.656 63.200 -0.006 0.000 0.852 506 S HN 0.310 nan 8.310 nan 0.000 0.457 507 L N -0.989 120.087 121.223 -0.246 0.000 2.162 507 L HA 0.227 4.570 4.340 0.004 0.000 0.205 507 L C 0.191 176.661 176.870 -0.667 0.000 1.086 507 L CA 0.602 55.156 54.840 -0.478 0.000 0.778 507 L CB -0.101 41.585 42.059 -0.622 0.000 0.928 507 L HN 0.273 nan 8.230 nan 0.000 0.446 508 F N 0.620 120.481 119.950 -0.148 0.000 2.471 508 F HA 0.309 4.838 4.527 0.004 0.000 0.318 508 F C -2.149 173.435 175.800 -0.360 0.000 1.308 508 F CA -3.012 54.887 58.000 -0.167 0.000 1.162 508 F CB -0.104 38.826 39.000 -0.118 0.000 1.383 508 F HN -0.164 nan 8.300 nan 0.000 0.552 509 P HA 0.000 nan 4.420 nan 0.000 0.266 509 P C -0.378 176.510 177.300 -0.687 0.000 1.215 509 P CA 0.704 63.252 63.100 -0.920 0.000 0.763 509 P CB 0.272 31.623 31.700 -0.581 0.000 0.806 510 H N -1.948 116.517 119.070 -1.009 0.000 3.022 510 H HA -0.192 4.367 4.556 0.004 0.000 0.258 510 H C 0.873 176.144 175.328 -0.095 0.000 1.212 510 H CA 0.683 56.551 56.048 -0.300 0.000 1.126 510 H CB -2.413 27.257 29.762 -0.153 0.000 1.267 510 H HN 0.643 nan 8.280 nan 0.000 0.345 511 H N 2.002 121.004 119.070 -0.113 0.000 2.871 511 H HA 0.047 4.606 4.556 0.004 0.000 0.355 511 H C 1.589 176.889 175.328 -0.048 0.000 1.092 511 H CA 1.089 57.090 56.048 -0.078 0.000 1.420 511 H CB 0.674 30.394 29.762 -0.070 0.000 1.400 511 H HN 0.651 nan 8.280 nan 0.000 0.604 512 R N 3.024 123.277 120.500 -0.411 0.000 2.193 512 R HA -0.141 4.202 4.340 0.004 0.000 0.229 512 R C 0.527 176.776 176.300 -0.084 0.000 1.110 512 R CA 1.550 57.476 56.100 -0.290 0.000 0.988 512 R CB -0.213 29.770 30.300 -0.529 0.000 0.871 512 R HN 0.451 nan 8.270 nan 0.000 0.458 513 Y N 0.922 121.416 120.300 0.323 0.000 2.497 513 Y HA 0.350 4.902 4.550 0.004 0.000 0.265 513 Y C 0.967 176.893 175.900 0.043 0.000 1.111 513 Y CA -0.749 57.442 58.100 0.153 0.000 1.288 513 Y CB 0.230 38.806 38.460 0.193 0.000 1.082 513 Y HN -0.106 nan 8.280 nan 0.000 0.536 514 L N 0.969 122.369 121.223 0.295 0.000 2.439 514 L HA 0.298 4.640 4.340 0.004 0.000 0.261 514 L C -0.343 176.572 176.870 0.075 0.000 1.153 514 L CA -0.314 54.653 54.840 0.213 0.000 0.808 514 L CB 0.839 43.144 42.059 0.410 0.000 1.126 514 L HN -0.039 nan 8.230 nan 0.000 0.460 515 L N 0.920 122.061 121.223 -0.137 0.000 2.362 515 L HA 0.325 4.667 4.340 0.004 0.000 0.271 515 L C -0.485 175.872 176.870 -0.854 0.000 1.002 515 L CA -0.841 53.760 54.840 -0.398 0.000 0.818 515 L CB 2.050 43.937 42.059 -0.288 0.000 1.298 515 L HN 0.503 nan 8.230 nan 0.000 0.420 516 D N 1.995 121.615 120.400 -1.301 0.000 2.382 516 D HA 0.152 4.795 4.640 0.004 0.000 0.259 516 D C -0.376 175.373 176.300 -0.920 0.000 1.224 516 D CA 0.331 53.167 54.000 -1.940 0.000 0.894 516 D CB 0.859 40.932 40.800 -1.211 0.000 1.127 516 D HN 0.552 nan 8.370 nan 0.000 0.487 517 T N 1.746 115.824 114.554 -0.793 0.000 2.912 517 T HA 0.553 4.906 4.350 0.004 0.000 0.299 517 T C -1.114 173.376 174.700 -0.349 0.000 1.052 517 T CA -0.867 60.983 62.100 -0.417 0.000 0.996 517 T CB 2.052 70.729 68.868 -0.318 0.000 1.070 517 T HN 0.285 nan 8.240 nan 0.000 0.465 518 D N 1.028 121.267 120.400 -0.268 0.000 2.652 518 D HA 0.414 5.057 4.640 0.004 0.000 0.285 518 D C -0.474 175.699 176.300 -0.212 0.000 1.173 518 D CA -1.006 52.863 54.000 -0.219 0.000 0.981 518 D CB 1.398 42.178 40.800 -0.034 0.000 1.440 518 D HN 0.523 nan 8.370 nan 0.000 0.485 519 F N 0.251 120.226 119.950 0.041 0.000 2.663 519 F HA 0.314 4.843 4.527 0.004 0.000 0.299 519 F C 0.661 176.590 175.800 0.215 0.000 1.143 519 F CA 0.186 58.224 58.000 0.063 0.000 1.387 519 F CB 0.290 39.288 39.000 -0.004 0.000 1.019 519 F HN -0.047 nan 8.300 nan 0.000 0.523 520 T N -1.419 113.355 114.554 0.367 0.000 2.718 520 T HA 0.346 4.698 4.350 0.004 0.000 0.306 520 T C -1.056 173.449 174.700 -0.325 0.000 1.485 520 T CA -0.685 61.429 62.100 0.024 0.000 0.997 520 T CB 2.037 70.910 68.868 0.009 0.000 1.504 520 T HN -0.359 nan 8.240 nan 0.000 0.497 521 V N 3.955 123.515 119.914 -0.591 0.000 2.288 521 V HA 0.318 4.441 4.120 0.004 0.000 0.266 521 V C 0.563 176.527 176.094 -0.216 0.000 1.048 521 V CA -0.915 61.053 62.300 -0.554 0.000 0.842 521 V CB 0.018 31.387 31.823 -0.756 0.000 1.064 521 V HN 0.809 nan 8.190 nan 0.000 0.472 522 N N 3.324 121.956 118.700 -0.112 0.000 2.322 522 N HA 0.135 4.878 4.740 0.004 0.000 0.270 522 N C 0.530 176.039 175.510 -0.002 0.000 1.286 522 N CA -0.518 52.512 53.050 -0.034 0.000 0.948 522 N CB 1.055 39.545 38.487 0.005 0.000 1.164 522 N HN 0.427 nan 8.380 nan 0.000 0.551 523 D N 0.248 120.661 120.400 0.021 0.000 2.104 523 D HA -0.169 4.473 4.640 0.004 0.000 0.194 523 D C 1.211 177.542 176.300 0.052 0.000 0.994 523 D CA 1.742 55.763 54.000 0.036 0.000 0.830 523 D CB 0.028 40.852 40.800 0.040 0.000 0.959 523 D HN 0.598 nan 8.370 nan 0.000 0.452 524 E N 0.631 120.868 120.200 0.061 0.000 2.150 524 E HA -0.035 4.317 4.350 0.004 0.000 0.193 524 E C 2.256 178.899 176.600 0.071 0.000 0.985 524 E CA 0.221 56.667 56.400 0.075 0.000 0.814 524 E CB -0.214 29.547 29.700 0.101 0.000 0.752 524 E HN 0.287 nan 8.360 nan 0.000 0.466 525 L N -0.098 121.163 121.223 0.062 0.000 2.068 525 L HA -0.051 4.291 4.340 0.004 0.000 0.204 525 L C 2.352 179.334 176.870 0.186 0.000 1.076 525 L CA 0.518 55.423 54.840 0.107 0.000 0.753 525 L CB -0.322 41.777 42.059 0.066 0.000 0.910 525 L HN 0.110 nan 8.230 nan 0.000 0.439 526 V N 0.434 120.436 119.914 0.147 0.000 2.453 526 V HA -0.321 3.801 4.120 0.004 0.000 0.252 526 V C 2.650 178.806 176.094 0.104 0.000 1.068 526 V CA 1.979 64.372 62.300 0.155 0.000 1.070 526 V CB -0.411 31.463 31.823 0.085 0.000 0.664 526 V HN 0.425 nan 8.190 nan 0.000 0.461 527 K N 0.001 120.453 120.400 0.087 0.000 2.167 527 K HA -0.092 4.230 4.320 0.004 0.000 0.203 527 K C 1.981 178.626 176.600 0.076 0.000 1.052 527 K CA 1.957 58.288 56.287 0.073 0.000 0.956 527 K CB -0.343 32.194 32.500 0.061 0.000 0.735 527 K HN 0.737 nan 8.250 nan 0.000 0.451 528 T N -2.475 112.121 114.554 0.070 0.000 3.051 528 T HA 0.280 4.633 4.350 0.004 0.000 0.255 528 T C 0.894 175.610 174.700 0.027 0.000 1.085 528 T CA 0.325 62.443 62.100 0.030 0.000 1.109 528 T CB 0.166 69.069 68.868 0.058 0.000 0.921 528 T HN 0.377 nan 8.240 nan 0.000 0.488 529 G N 1.296 110.120 108.800 0.040 0.000 2.663 529 G HA2 0.289 4.251 3.960 0.004 0.000 0.686 529 G HA3 0.289 4.251 3.960 0.004 0.000 0.686 529 G C -0.959 173.927 174.900 -0.023 0.000 1.246 529 G CA -0.583 44.458 45.100 -0.098 0.000 0.795 529 G HN 1.131 nan 8.290 nan 0.000 0.627 530 Y N -2.673 117.663 120.300 0.060 0.000 2.689 530 Y HA 0.894 5.446 4.550 0.005 0.000 0.333 530 Y C -0.129 175.811 175.900 0.067 0.000 1.208 530 Y CA -1.526 56.613 58.100 0.066 0.000 1.055 530 Y CB 0.765 39.270 38.460 0.075 0.000 1.304 530 Y HN 1.995 nan 8.280 nan 0.000 0.455 531 A N 1.279 124.306 122.820 0.345 0.000 2.318 531 A HA 0.731 5.054 4.320 0.004 0.000 0.324 531 A C -1.379 176.330 177.584 0.209 0.000 1.170 531 A CA -0.842 51.314 52.037 0.199 0.000 0.810 531 A CB 0.876 19.905 19.000 0.048 0.000 1.198 531 A HN 0.681 nan 8.150 nan 0.000 0.484 532 V N 3.627 123.651 119.914 0.183 0.000 2.407 532 V HA 0.406 4.529 4.120 0.004 0.000 0.278 532 V C -0.038 175.997 176.094 -0.099 0.000 1.037 532 V CA -0.135 62.177 62.300 0.020 0.000 0.900 532 V CB 1.039 32.958 31.823 0.159 0.000 0.983 532 V HN 0.880 nan 8.190 nan 0.000 0.459 533 K N 6.373 126.635 120.400 -0.231 0.000 2.513 533 K HA 0.440 4.762 4.320 0.004 0.000 0.251 533 K C -2.991 173.493 176.600 -0.193 0.000 0.939 533 K CA -1.769 54.410 56.287 -0.179 0.000 0.793 533 K CB 2.923 35.322 32.500 -0.168 0.000 1.241 533 K HN 0.307 nan 8.250 nan 0.000 0.431 534 P HA 0.057 nan 4.420 nan 0.000 0.271 534 P C 1.000 178.224 177.300 -0.128 0.000 1.226 534 P CA -0.250 62.792 63.100 -0.096 0.000 0.765 534 P CB 0.435 32.116 31.700 -0.031 0.000 0.835 535 I N 1.729 122.240 120.570 -0.097 0.000 2.335 535 I HA -0.152 4.020 4.170 0.004 0.000 0.251 535 I C 1.264 177.339 176.117 -0.071 0.000 1.129 535 I CA 1.698 62.942 61.300 -0.094 0.000 1.402 535 I CB -0.542 37.413 38.000 -0.074 0.000 1.069 535 I HN 0.178 nan 8.210 nan 0.000 0.424 536 A N 1.137 123.924 122.820 -0.056 0.000 2.713 536 A HA 0.664 4.986 4.320 0.004 0.000 0.296 536 A C 0.799 178.208 177.584 -0.290 0.000 1.255 536 A CA 0.015 52.016 52.037 -0.061 0.000 0.955 536 A CB -0.758 18.289 19.000 0.078 0.000 1.149 536 A HN 0.494 nan 8.150 nan 0.000 0.538 537 G N 0.371 108.879 108.800 -0.486 0.000 2.535 537 G HA2 0.671 4.634 3.960 0.004 0.000 0.303 537 G HA3 0.671 4.634 3.960 0.004 0.000 0.303 537 G C -0.084 174.399 174.900 -0.695 0.000 1.237 537 G CA -0.586 43.855 45.100 -1.099 0.000 0.986 537 G HN 0.799 nan 8.290 nan 0.000 0.494 538 R N -3.464 116.614 120.500 -0.704 0.000 2.780 538 R HA 0.410 4.753 4.340 0.004 0.000 0.280 538 R C -0.329 175.879 176.300 -0.153 0.000 1.016 538 R CA -0.226 55.692 56.100 -0.303 0.000 0.854 538 R CB 0.075 30.248 30.300 -0.211 0.000 1.293 538 R HN 0.991 nan 8.270 nan 0.000 0.483 539 C N -0.865 118.388 119.300 -0.079 0.000 5.082 539 C HA -0.103 4.360 4.460 0.004 0.000 0.267 539 C C 1.315 176.289 174.990 -0.027 0.000 1.720 539 C CA 1.758 60.761 59.018 -0.025 0.000 1.665 539 C CB -1.820 25.938 27.740 0.030 0.000 2.220 539 C HN 1.831 nan 8.230 nan 0.000 0.596 540 G N -0.012 108.753 108.800 -0.059 0.000 2.207 540 G HA2 -0.063 3.899 3.960 0.004 0.000 0.216 540 G HA3 -0.063 3.899 3.960 0.004 0.000 0.216 540 G C -0.194 174.693 174.900 -0.022 0.000 1.053 540 G CA 0.465 45.529 45.100 -0.060 0.000 0.764 540 G HN 0.977 nan 8.290 nan 0.000 0.495 541 S N -0.311 115.392 115.700 0.005 0.000 2.585 541 S HA 0.514 4.986 4.470 0.004 0.000 0.277 541 S C 1.008 175.663 174.600 0.092 0.000 1.241 541 S CA 0.154 58.419 58.200 0.108 0.000 1.041 541 S CB 0.737 64.146 63.200 0.348 0.000 0.987 541 S HN 0.737 nan 8.310 nan 0.000 0.512 542 N N 0.594 119.356 118.700 0.102 0.000 2.710 542 N HA -0.156 4.586 4.740 0.004 0.000 0.249 542 N C -0.851 174.676 175.510 0.028 0.000 1.059 542 N CA 0.428 53.524 53.050 0.077 0.000 0.720 542 N CB -1.126 37.442 38.487 0.134 0.000 0.983 542 N HN 0.351 nan 8.380 nan 0.000 0.544 543 I N 0.744 121.315 120.570 0.001 0.000 2.365 543 I HA 0.250 4.423 4.170 0.004 0.000 0.291 543 I C 0.257 176.372 176.117 -0.003 0.000 1.004 543 I CA -0.097 61.189 61.300 -0.025 0.000 1.311 543 I CB 1.191 39.153 38.000 -0.063 0.000 1.401 543 I HN 0.070 nan 8.210 nan 0.000 0.491 544 D N 6.507 126.921 120.400 0.023 0.000 2.502 544 D HA 0.512 5.155 4.640 0.004 0.000 0.249 544 D C -0.653 175.685 176.300 0.062 0.000 1.092 544 D CA -0.315 53.715 54.000 0.051 0.000 0.839 544 D CB 2.187 43.048 40.800 0.102 0.000 1.264 544 D HN 0.277 nan 8.370 nan 0.000 0.511 545 L N 2.738 123.969 121.223 0.013 0.000 2.295 545 L HA 0.495 4.837 4.340 0.004 0.000 0.281 545 L C -0.890 175.938 176.870 -0.070 0.000 1.018 545 L CA -0.915 53.914 54.840 -0.018 0.000 0.841 545 L CB 1.178 43.209 42.059 -0.047 0.000 1.218 545 L HN 0.140 nan 8.230 nan 0.000 0.424 546 V N 1.963 121.768 119.914 -0.182 0.000 2.483 546 V HA 0.366 4.488 4.120 0.004 0.000 0.295 546 V C 0.548 176.440 176.094 -0.336 0.000 1.035 546 V CA -0.477 61.638 62.300 -0.308 0.000 0.896 546 V CB 1.928 33.417 31.823 -0.556 0.000 0.986 546 V HN 0.877 nan 8.190 nan 0.000 0.447 547 S N 3.375 118.972 115.700 -0.172 0.000 2.655 547 S HA 0.157 4.629 4.470 0.004 0.000 0.265 547 S C 1.183 175.728 174.600 -0.093 0.000 1.240 547 S CA -0.028 58.136 58.200 -0.060 0.000 0.986 547 S CB 0.423 63.648 63.200 0.042 0.000 0.985 547 S HN 0.914 nan 8.310 nan 0.000 0.562 548 H N -0.332 118.616 119.070 -0.204 0.000 2.567 548 H HA 0.065 4.624 4.556 0.004 0.000 0.276 548 H C 0.957 176.145 175.328 -0.233 0.000 1.016 548 H CA 1.071 56.989 56.048 -0.217 0.000 1.186 548 H CB -0.699 28.922 29.762 -0.235 0.000 1.351 548 H HN 0.671 nan 8.280 nan 0.000 0.605 549 H N 0.719 119.551 119.070 -0.397 0.000 2.323 549 H HA 0.206 4.764 4.556 0.004 0.000 0.331 549 H C 0.995 176.222 175.328 -0.168 0.000 1.214 549 H CA 1.173 57.026 56.048 -0.325 0.000 1.824 549 H CB 0.693 30.253 29.762 -0.337 0.000 1.526 549 H HN 0.462 nan 8.280 nan 0.000 0.625 550 E N -0.365 119.846 120.200 0.018 0.000 2.349 550 E HA 0.016 4.369 4.350 0.004 0.000 0.230 550 E C -0.014 176.567 176.600 -0.032 0.000 1.073 550 E CA -0.047 56.342 56.400 -0.017 0.000 1.635 550 E CB 0.830 30.524 29.700 -0.010 0.000 3.361 550 E HN 0.440 nan 8.360 nan 0.000 1.066 551 E N 2.934 123.120 120.200 -0.025 0.000 2.598 551 E HA -0.033 4.319 4.350 0.004 0.000 0.273 551 E C -0.267 176.311 176.600 -0.037 0.000 1.029 551 E CA 0.332 56.715 56.400 -0.028 0.000 0.985 551 E CB 0.652 30.338 29.700 -0.023 0.000 0.988 551 E HN -0.141 nan 8.360 nan 0.000 0.460 552 V N 5.276 125.175 119.914 -0.027 0.000 2.270 552 V HA 0.022 4.145 4.120 0.004 0.000 0.263 552 V C 1.311 177.388 176.094 -0.028 0.000 1.066 552 V CA -0.277 62.007 62.300 -0.026 0.000 0.857 552 V CB 0.114 31.933 31.823 -0.008 0.000 1.099 552 V HN 0.696 nan 8.190 nan 0.000 0.476 553 L N 1.451 122.653 121.223 -0.036 0.000 2.089 553 L HA -0.078 4.265 4.340 0.004 0.000 0.213 553 L C 0.863 177.704 176.870 -0.048 0.000 1.079 553 L CA 1.629 56.447 54.840 -0.036 0.000 0.758 553 L CB -0.063 41.972 42.059 -0.039 0.000 0.891 553 L HN 0.632 nan 8.230 nan 0.000 0.433 554 D N -1.775 118.595 120.400 -0.050 0.000 2.683 554 D HA 0.330 4.973 4.640 0.004 0.000 0.246 554 D C -1.387 174.890 176.300 -0.038 0.000 1.238 554 D CA -0.581 53.385 54.000 -0.055 0.000 0.759 554 D CB 1.780 42.522 40.800 -0.096 0.000 1.349 554 D HN -0.123 nan 8.370 nan 0.000 0.426 555 K N 0.557 120.939 120.400 -0.031 0.000 2.527 555 K HA 0.676 4.998 4.320 0.004 0.000 0.260 555 K C -1.408 175.183 176.600 -0.015 0.000 0.937 555 K CA -0.523 55.755 56.287 -0.014 0.000 0.826 555 K CB 1.754 34.254 32.500 0.001 0.000 1.359 555 K HN 0.509 nan 8.250 nan 0.000 0.434 556 T N -1.211 113.339 114.554 -0.006 0.000 2.906 556 T HA 0.447 4.799 4.350 0.004 0.000 0.295 556 T C -0.166 174.545 174.700 0.017 0.000 1.075 556 T CA -0.730 61.370 62.100 -0.000 0.000 1.005 556 T CB 1.705 70.569 68.868 -0.006 0.000 1.136 556 T HN 0.404 nan 8.240 nan 0.000 0.498 557 S N -0.176 115.537 115.700 0.021 0.000 2.552 557 S HA 0.930 5.403 4.470 0.004 0.000 0.271 557 S C 0.483 175.115 174.600 0.053 0.000 1.168 557 S CA 0.473 58.689 58.200 0.027 0.000 1.026 557 S CB 0.272 63.480 63.200 0.014 0.000 1.120 557 S HN 1.813 nan 8.310 nan 0.000 0.514 558 G N -0.097 108.730 108.800 0.043 0.000 2.356 558 G HA2 0.177 4.140 3.960 0.004 0.000 0.300 558 G HA3 0.177 4.140 3.960 0.004 0.000 0.300 558 G C -0.806 174.058 174.900 -0.059 0.000 1.331 558 G CA -0.592 44.551 45.100 0.071 0.000 0.905 558 G HN 0.543 nan 8.290 nan 0.000 0.587 559 K N -0.675 119.534 120.400 -0.318 0.000 2.393 559 K HA 0.240 4.563 4.320 0.004 0.000 0.193 559 K C 0.471 176.681 176.600 -0.650 0.000 1.026 559 K CA 0.557 56.504 56.287 -0.567 0.000 1.064 559 K CB 0.140 32.191 32.500 -0.748 0.000 0.833 559 K HN 0.324 nan 8.250 nan 0.000 0.521 560 F N -0.009 119.942 119.950 0.002 0.000 2.730 560 F HA 0.313 4.843 4.527 0.004 0.000 0.295 560 F C 1.434 177.234 175.800 -0.000 0.000 1.143 560 F CA -0.636 57.366 58.000 0.004 0.000 1.367 560 F CB -0.075 38.925 39.000 0.000 0.000 0.970 560 F HN -0.108 nan 8.300 nan 0.000 0.514 561 A N -0.311 122.564 122.820 0.093 0.000 2.239 561 A HA -0.005 4.317 4.320 0.004 0.000 0.209 561 A C 1.860 179.478 177.584 0.056 0.000 1.171 561 A CA 1.024 53.104 52.037 0.070 0.000 0.768 561 A CB -0.268 18.754 19.000 0.037 0.000 0.790 561 A HN 0.254 nan 8.150 nan 0.000 0.478 562 E N -0.055 120.178 120.200 0.056 0.000 2.498 562 E HA 0.036 4.389 4.350 0.004 0.000 0.203 562 E C 0.410 177.047 176.600 0.062 0.000 1.013 562 E CA 0.051 56.479 56.400 0.047 0.000 0.927 562 E CB 0.140 29.856 29.700 0.027 0.000 1.012 562 E HN 0.969 nan 8.360 nan 0.000 0.482 563 Q N 0.350 120.202 119.800 0.087 0.000 2.207 563 Q HA 0.367 4.710 4.340 0.004 0.000 0.237 563 Q C 0.103 176.134 176.000 0.052 0.000 0.998 563 Q CA -0.865 54.988 55.803 0.084 0.000 0.951 563 Q CB 1.243 30.056 28.738 0.124 0.000 1.213 563 Q HN -0.222 nan 8.270 nan 0.000 0.499 564 K N 1.190 121.616 120.400 0.043 0.000 2.412 564 K HA 0.055 4.378 4.320 0.004 0.000 0.281 564 K C -0.771 175.812 176.600 -0.028 0.000 1.027 564 K CA -0.095 56.206 56.287 0.023 0.000 0.989 564 K CB 0.421 32.943 32.500 0.038 0.000 0.935 564 K HN 0.499 nan 8.250 nan 0.000 0.475 565 N N 2.999 121.647 118.700 -0.086 0.000 2.472 565 N HA 0.394 5.137 4.740 0.004 0.000 0.289 565 N C -0.376 174.888 175.510 -0.410 0.000 1.156 565 N CA -0.502 52.394 53.050 -0.257 0.000 0.940 565 N CB 1.048 39.321 38.487 -0.356 0.000 1.200 565 N HN 0.522 nan 8.380 nan 0.000 0.511 566 I N -1.815 118.419 120.570 -0.561 0.000 2.957 566 I HA 0.530 4.703 4.170 0.004 0.000 0.310 566 I C -1.334 174.269 176.117 -0.857 0.000 1.063 566 I CA -0.852 60.077 61.300 -0.619 0.000 1.033 566 I CB 1.080 38.790 38.000 -0.483 0.000 1.230 566 I HN 0.262 nan 8.210 nan 0.000 0.447 567 Y N 1.474 121.627 120.300 -0.244 0.000 2.332 567 Y HA 0.570 5.122 4.550 0.004 0.000 0.326 567 Y C -0.256 175.524 175.900 -0.200 0.000 0.978 567 Y CA -0.466 57.490 58.100 -0.239 0.000 1.205 567 Y CB 1.514 39.731 38.460 -0.405 0.000 1.131 567 Y HN 0.604 nan 8.280 nan 0.000 0.462 568 Q N 3.214 123.006 119.800 -0.014 0.000 2.293 568 Q HA 0.256 4.598 4.340 0.004 0.000 0.261 568 Q C -0.402 175.626 176.000 0.048 0.000 0.960 568 Q CA -0.921 54.851 55.803 -0.053 0.000 0.882 568 Q CB 1.430 30.132 28.738 -0.061 0.000 1.275 568 Q HN 0.748 nan 8.270 nan 0.000 0.445 569 Q N 2.899 122.683 119.800 -0.027 0.000 2.348 569 Q HA -0.111 4.231 4.340 0.004 0.000 0.331 569 Q C -0.494 175.603 176.000 0.162 0.000 1.099 569 Q CA -0.031 55.806 55.803 0.057 0.000 1.021 569 Q CB 0.454 29.172 28.738 -0.033 0.000 1.166 569 Q HN 0.634 nan 8.270 nan 0.000 0.393 570 L N 5.166 126.503 121.223 0.190 0.000 2.473 570 L HA 0.085 4.427 4.340 0.004 0.000 0.265 570 L C -0.777 176.319 176.870 0.378 0.000 1.243 570 L CA 1.018 55.979 54.840 0.202 0.000 0.822 570 L CB 0.447 42.562 42.059 0.094 0.000 1.101 570 L HN 0.844 nan 8.230 nan 0.000 0.507 571 W N 4.218 125.572 121.300 0.090 0.000 1.444 571 W HA 0.071 4.734 4.660 0.005 0.000 0.321 571 W C -1.174 175.451 176.519 0.176 0.000 1.026 571 W CA -1.145 56.271 57.345 0.119 0.000 0.770 571 W CB -0.190 29.353 29.460 0.138 0.000 0.679 571 W HN 0.513 nan 8.180 nan 0.000 0.311 572 C N 2.955 122.361 119.300 0.178 0.000 2.550 572 C HA 0.050 4.512 4.460 0.004 0.000 0.406 572 C C 1.532 176.675 174.990 0.255 0.000 1.366 572 C CA 0.368 59.488 59.018 0.170 0.000 1.712 572 C CB -0.462 27.331 27.740 0.088 0.000 2.613 572 C HN 0.337 nan 8.230 nan 0.000 0.608 573 L N 5.976 127.383 121.223 0.307 0.000 2.461 573 L HA 0.235 4.577 4.340 0.004 0.000 0.272 573 L C -1.507 175.537 176.870 0.291 0.000 1.197 573 L CA -0.959 54.089 54.840 0.346 0.000 0.836 573 L CB 0.435 42.706 42.059 0.353 0.000 1.105 573 L HN 0.511 nan 8.230 nan 0.000 0.477 574 P HA 0.062 nan 4.420 nan 0.000 0.276 574 P C -1.222 176.016 177.300 -0.104 0.000 1.230 574 P CA -0.377 62.738 63.100 0.024 0.000 0.776 574 P CB 0.862 32.567 31.700 0.008 0.000 0.888 575 K N 2.765 123.013 120.400 -0.253 0.000 2.262 575 K HA 0.394 4.716 4.320 0.004 0.000 0.282 575 K C -1.197 175.267 176.600 -0.226 0.000 1.066 575 K CA -0.591 55.413 56.287 -0.471 0.000 0.901 575 K CB 0.468 32.586 32.500 -0.637 0.000 1.089 575 K HN 0.220 nan 8.250 nan 0.000 0.476 576 V N 4.629 124.443 119.914 -0.166 0.000 2.447 576 V HA 0.140 4.263 4.120 0.004 0.000 0.292 576 V C -0.963 175.189 176.094 0.098 0.000 1.021 576 V CA -0.795 61.487 62.300 -0.030 0.000 0.850 576 V CB 1.419 33.224 31.823 -0.031 0.000 1.005 576 V HN 0.965 nan 8.190 nan 0.000 0.426 577 D N 4.210 124.640 120.400 0.050 0.000 2.760 577 D HA -0.135 4.508 4.640 0.004 0.000 0.244 577 D C 1.235 177.524 176.300 -0.018 0.000 1.123 577 D CA 1.853 55.858 54.000 0.010 0.000 0.719 577 D CB -1.017 39.792 40.800 0.015 0.000 1.045 577 D HN 1.493 nan 8.370 nan 0.000 0.426 578 G N 0.074 108.843 108.800 -0.050 0.000 2.225 578 G HA2 -0.345 3.617 3.960 0.004 0.000 0.267 578 G HA3 -0.345 3.617 3.960 0.004 0.000 0.267 578 G C 0.155 175.036 174.900 -0.032 0.000 1.024 578 G CA 0.990 46.059 45.100 -0.051 0.000 0.784 578 G HN 0.545 nan 8.290 nan 0.000 0.507 579 K N -1.292 119.066 120.400 -0.070 0.000 2.557 579 K HA 0.368 4.691 4.320 0.004 0.000 0.261 579 K C -1.105 175.405 176.600 -0.150 0.000 0.932 579 K CA -0.961 55.315 56.287 -0.019 0.000 0.829 579 K CB 1.518 34.075 32.500 0.096 0.000 1.358 579 K HN 0.052 nan 8.250 nan 0.000 0.430 580 Y N 1.545 121.849 120.300 0.007 0.000 2.309 580 Y HA 0.370 4.923 4.550 0.004 0.000 0.327 580 Y C 0.471 176.354 175.900 -0.029 0.000 1.172 580 Y CA -0.059 58.038 58.100 -0.003 0.000 1.280 580 Y CB 0.652 39.118 38.460 0.011 0.000 1.234 580 Y HN 0.293 nan 8.280 nan 0.000 0.512 581 I N 2.906 123.507 120.570 0.051 0.000 2.534 581 I HA 0.241 4.413 4.170 0.004 0.000 0.288 581 I C -0.875 175.265 176.117 0.038 0.000 1.077 581 I CA -0.784 60.498 61.300 -0.030 0.000 1.051 581 I CB 2.024 39.873 38.000 -0.252 0.000 1.234 581 I HN 0.501 nan 8.210 nan 0.000 0.425 582 Q N 5.954 125.789 119.800 0.059 0.000 2.322 582 Q HA 0.556 4.899 4.340 0.004 0.000 0.265 582 Q C -1.562 174.469 176.000 0.051 0.000 0.985 582 Q CA -0.657 55.214 55.803 0.114 0.000 0.849 582 Q CB 2.233 31.075 28.738 0.173 0.000 1.274 582 Q HN 0.501 nan 8.270 nan 0.000 0.449 583 V N 3.386 123.338 119.914 0.063 0.000 2.649 583 V HA 0.301 4.424 4.120 0.004 0.000 0.292 583 V C -0.236 175.910 176.094 0.087 0.000 1.055 583 V CA -0.438 61.881 62.300 0.033 0.000 1.023 583 V CB 1.243 33.065 31.823 -0.002 0.000 0.992 583 V HN 0.892 nan 8.190 nan 0.000 0.480 584 C N 3.538 122.832 119.300 -0.011 0.000 2.547 584 C HA 0.770 5.233 4.460 0.004 0.000 0.313 584 C C 0.492 175.371 174.990 -0.186 0.000 1.191 584 C CA -0.560 58.394 59.018 -0.106 0.000 1.474 584 C CB 1.499 29.062 27.740 -0.296 0.000 2.081 584 C HN 1.041 nan 8.230 nan 0.000 0.476 585 T N -0.371 114.106 114.554 -0.127 0.000 2.927 585 T HA 0.849 5.202 4.350 0.004 0.000 0.286 585 T C -0.916 173.579 174.700 -0.342 0.000 1.040 585 T CA -0.439 61.590 62.100 -0.118 0.000 1.010 585 T CB 1.217 70.183 68.868 0.163 0.000 1.177 585 T HN 0.330 nan 8.240 nan 0.000 0.546 586 F N 0.631 120.491 119.950 -0.151 0.000 2.546 586 F HA 0.612 5.141 4.527 0.004 0.000 0.320 586 F C 0.631 176.365 175.800 -0.110 0.000 1.076 586 F CA -0.696 57.219 58.000 -0.140 0.000 0.928 586 F CB 2.508 41.356 39.000 -0.252 0.000 1.189 586 F HN 0.875 nan 8.300 nan 0.000 0.465 587 T N -0.260 114.416 114.554 0.204 0.000 2.779 587 T HA 0.736 5.089 4.350 0.004 0.000 0.280 587 T C -1.048 173.706 174.700 0.091 0.000 0.987 587 T CA -0.736 61.424 62.100 0.100 0.000 0.966 587 T CB 1.187 70.113 68.868 0.097 0.000 0.933 587 T HN 0.323 nan 8.240 nan 0.000 0.442 588 V N 3.155 123.073 119.914 0.008 0.000 2.349 588 V HA 0.658 4.781 4.120 0.004 0.000 0.284 588 V C 1.116 177.182 176.094 -0.046 0.000 1.014 588 V CA -0.141 62.153 62.300 -0.010 0.000 0.826 588 V CB 0.584 32.385 31.823 -0.036 0.000 1.009 588 V HN 1.438 nan 8.190 nan 0.000 0.431 589 G N 3.866 112.650 108.800 -0.027 0.000 2.338 589 G HA2 0.077 4.039 3.960 0.004 0.000 0.296 589 G HA3 0.077 4.039 3.960 0.004 0.000 0.296 589 G C 1.189 176.061 174.900 -0.046 0.000 1.040 589 G CA 0.782 45.878 45.100 -0.006 0.000 1.004 589 G HN 2.176 nan 8.290 nan 0.000 0.509 590 G N -1.355 107.336 108.800 -0.183 0.000 2.284 590 G HA2 -0.292 3.670 3.960 0.004 0.000 0.247 590 G HA3 -0.292 3.670 3.960 0.004 0.000 0.247 590 G C 0.255 174.928 174.900 -0.379 0.000 1.012 590 G CA 0.741 45.529 45.100 -0.519 0.000 0.618 590 G HN 1.264 nan 8.290 nan 0.000 0.521 591 N N -0.660 117.944 118.700 -0.159 0.000 2.362 591 N HA 0.503 5.246 4.740 0.004 0.000 0.299 591 N C -0.299 175.230 175.510 0.031 0.000 1.170 591 N CA -0.728 52.299 53.050 -0.038 0.000 0.825 591 N CB 0.994 39.465 38.487 -0.027 0.000 1.299 591 N HN 0.219 nan 8.380 nan 0.000 0.502 592 Y N 0.317 120.608 120.300 -0.015 0.000 3.073 592 Y HA 0.055 4.608 4.550 0.004 0.000 0.343 592 Y C 1.349 177.275 175.900 0.042 0.000 1.274 592 Y CA 1.228 59.341 58.100 0.022 0.000 1.554 592 Y CB 0.300 38.770 38.460 0.016 0.000 1.250 592 Y HN 0.690 nan 8.280 nan 0.000 0.622 593 G N 1.951 110.386 108.800 -0.608 0.000 3.314 593 G HA2 0.494 4.457 3.960 0.004 0.000 0.230 593 G HA3 0.494 4.457 3.960 0.004 0.000 0.230 593 G C 0.091 174.699 174.900 -0.487 0.000 1.058 593 G CA 0.299 45.181 45.100 -0.363 0.000 0.926 593 G HN 1.382 nan 8.290 nan 0.000 0.564 594 G N -1.220 106.924 108.800 -1.094 0.000 2.368 594 G HA2 0.443 4.405 3.960 0.004 0.000 0.302 594 G HA3 0.443 4.405 3.960 0.004 0.000 0.302 594 G C -1.365 173.433 174.900 -0.170 0.000 1.329 594 G CA -0.092 44.729 45.100 -0.464 0.000 0.935 594 G HN 0.508 nan 8.290 nan 0.000 0.590 595 T N -0.573 114.057 114.554 0.126 0.000 2.903 595 T HA 0.751 5.104 4.350 0.004 0.000 0.299 595 T C -0.245 174.488 174.700 0.055 0.000 1.093 595 T CA 0.192 62.344 62.100 0.085 0.000 1.002 595 T CB 1.232 70.173 68.868 0.122 0.000 1.127 595 T HN 1.966 nan 8.240 nan 0.000 0.488 596 C N 1.546 120.823 119.300 -0.038 0.000 3.241 596 C HA 0.892 5.354 4.460 0.004 0.000 0.312 596 C C -1.407 173.547 174.990 -0.061 0.000 1.350 596 C CA -1.088 57.916 59.018 -0.024 0.000 1.415 596 C CB -0.118 27.643 27.740 0.035 0.000 1.770 596 C HN 0.901 nan 8.230 nan 0.000 0.466 597 L N 1.466 122.658 121.223 -0.052 0.000 2.322 597 L HA 0.795 5.137 4.340 0.004 0.000 0.269 597 L C -0.107 176.742 176.870 -0.035 0.000 1.012 597 L CA -0.650 54.157 54.840 -0.056 0.000 0.815 597 L CB 1.541 43.560 42.059 -0.068 0.000 1.295 597 L HN 0.693 nan 8.230 nan 0.000 0.438 598 R N 0.909 121.394 120.500 -0.026 0.000 2.533 598 R HA 0.588 4.930 4.340 0.004 0.000 0.288 598 R C -0.767 175.540 176.300 0.012 0.000 1.039 598 R CA -0.661 55.440 56.100 0.003 0.000 0.909 598 R CB 2.082 32.388 30.300 0.009 0.000 1.195 598 R HN 0.815 nan 8.270 nan 0.000 0.438 599 G N 0.587 109.408 108.800 0.036 0.000 2.481 599 G HA2 0.564 4.527 3.960 0.004 0.000 0.315 599 G HA3 0.564 4.527 3.960 0.004 0.000 0.315 599 G C -1.451 173.498 174.900 0.082 0.000 1.231 599 G CA -0.260 44.875 45.100 0.059 0.000 0.968 599 G HN 0.467 nan 8.290 nan 0.000 0.482 600 D N -0.691 119.780 120.400 0.118 0.000 2.837 600 D HA 0.355 4.998 4.640 0.004 0.000 0.220 600 D C 0.495 176.914 176.300 0.197 0.000 1.236 600 D CA -0.491 53.580 54.000 0.118 0.000 0.838 600 D CB 1.961 42.803 40.800 0.070 0.000 1.647 600 D HN 0.226 nan 8.370 nan 0.000 0.486 601 E N 0.167 120.458 120.200 0.152 0.000 2.401 601 E HA 0.064 4.417 4.350 0.004 0.000 0.199 601 E C 0.226 176.967 176.600 0.234 0.000 1.023 601 E CA 0.495 57.010 56.400 0.191 0.000 0.859 601 E CB -0.015 29.750 29.700 0.109 0.000 0.780 601 E HN 0.324 nan 8.360 nan 0.000 0.523 602 S N -1.400 114.345 115.700 0.074 0.000 2.632 602 S HA 0.332 4.804 4.470 0.004 0.000 0.289 602 S C 0.561 174.848 174.600 -0.522 0.000 1.115 602 S CA -0.833 57.227 58.200 -0.233 0.000 0.889 602 S CB 1.227 64.339 63.200 -0.146 0.000 1.116 602 S HN -0.079 nan 8.310 nan 0.000 0.486 603 L N 1.092 121.805 121.223 -0.848 0.000 2.189 603 L HA 0.038 4.381 4.340 0.004 0.000 0.214 603 L C 0.695 177.394 176.870 -0.286 0.000 1.097 603 L CA 1.302 55.750 54.840 -0.654 0.000 0.764 603 L CB -0.619 41.163 42.059 -0.463 0.000 0.900 603 L HN 0.641 nan 8.230 nan 0.000 0.436 604 V N 1.416 121.201 119.914 -0.216 0.000 2.318 604 V HA 0.195 4.318 4.120 0.004 0.000 0.271 604 V C 0.521 176.555 176.094 -0.100 0.000 1.030 604 V CA -0.935 61.273 62.300 -0.154 0.000 0.844 604 V CB 1.183 32.930 31.823 -0.128 0.000 1.015 604 V HN -0.041 nan 8.190 nan 0.000 0.460 605 I N 6.034 126.554 120.570 -0.084 0.000 2.710 605 I HA 0.174 4.347 4.170 0.004 0.000 0.286 605 I C 0.562 176.654 176.117 -0.043 0.000 1.181 605 I CA 0.574 61.851 61.300 -0.038 0.000 1.430 605 I CB 0.307 38.294 38.000 -0.021 0.000 1.367 605 I HN 0.604 nan 8.210 nan 0.000 0.577 606 K N 4.732 125.120 120.400 -0.020 0.000 2.395 606 K HA 0.265 4.588 4.320 0.004 0.000 0.245 606 K C 0.497 177.095 176.600 -0.003 0.000 1.017 606 K CA -1.006 55.272 56.287 -0.015 0.000 0.852 606 K CB 1.529 34.024 32.500 -0.008 0.000 1.311 606 K HN 0.117 nan 8.250 nan 0.000 0.452 607 K N 1.774 122.173 120.400 -0.002 0.000 2.160 607 K HA -0.186 4.136 4.320 0.004 0.000 0.206 607 K C 1.267 177.873 176.600 0.010 0.000 1.047 607 K CA 1.889 58.176 56.287 0.001 0.000 0.930 607 K CB 0.111 32.609 32.500 -0.002 0.000 0.720 607 K HN 0.576 nan 8.250 nan 0.000 0.450 608 E N 0.016 120.222 120.200 0.012 0.000 2.502 608 E HA 0.035 4.388 4.350 0.004 0.000 0.194 608 E C -0.034 176.582 176.600 0.027 0.000 1.062 608 E CA 0.020 56.431 56.400 0.018 0.000 0.867 608 E CB -0.156 29.553 29.700 0.015 0.000 0.888 608 E HN 0.025 nan 8.360 nan 0.000 0.510 609 S N 1.773 117.489 115.700 0.027 0.000 2.576 609 S HA 0.049 4.521 4.470 0.004 0.000 0.272 609 S C 0.191 174.819 174.600 0.046 0.000 1.352 609 S CA -0.177 58.045 58.200 0.036 0.000 1.021 609 S CB 0.583 63.801 63.200 0.030 0.000 0.887 609 S HN 0.162 nan 8.310 nan 0.000 0.542 610 D N 0.904 121.336 120.400 0.052 0.000 2.312 610 D HA 0.318 4.961 4.640 0.004 0.000 0.248 610 D C -0.093 176.234 176.300 0.046 0.000 1.086 610 D CA -0.225 53.809 54.000 0.056 0.000 0.948 610 D CB 0.633 41.469 40.800 0.060 0.000 1.162 610 D HN 0.186 nan 8.370 nan 0.000 0.446 611 I N 1.710 122.303 120.570 0.038 0.000 2.353 611 I HA 0.106 4.279 4.170 0.004 0.000 0.293 611 I C 0.380 176.474 176.117 -0.039 0.000 0.992 611 I CA -0.355 60.950 61.300 0.008 0.000 1.268 611 I CB 1.021 39.030 38.000 0.015 0.000 1.387 611 I HN 0.085 nan 8.210 nan 0.000 0.478 612 E N 7.540 127.717 120.200 -0.039 0.000 2.113 612 E HA 0.366 4.719 4.350 0.004 0.000 0.273 612 E C -2.360 174.132 176.600 -0.180 0.000 0.924 612 E CA -1.942 54.433 56.400 -0.041 0.000 0.764 612 E CB 1.398 31.198 29.700 0.168 0.000 1.104 612 E HN 0.241 nan 8.360 nan 0.000 0.406 613 P HA -0.064 nan 4.420 nan 0.000 0.264 613 P C -0.595 176.486 177.300 -0.366 0.000 1.179 613 P CA 0.006 62.650 63.100 -0.759 0.000 0.763 613 P CB 0.373 30.945 31.700 -1.879 0.000 0.806 614 L N 4.373 125.420 121.223 -0.292 0.000 2.381 614 L HA 0.639 4.981 4.340 0.004 0.000 0.268 614 L C -1.485 175.282 176.870 -0.172 0.000 0.997 614 L CA -0.397 54.369 54.840 -0.123 0.000 0.818 614 L CB 1.547 43.552 42.059 -0.090 0.000 1.310 614 L HN 0.190 nan 8.230 nan 0.000 0.416 615 I N 5.352 125.849 120.570 -0.121 0.000 2.534 615 I HA 0.282 4.455 4.170 0.004 0.000 0.286 615 I C -0.664 175.313 176.117 -0.234 0.000 1.094 615 I CA -0.535 60.617 61.300 -0.245 0.000 1.055 615 I CB 2.034 39.821 38.000 -0.357 0.000 1.225 615 I HN 0.268 nan 8.210 nan 0.000 0.435 616 V N 6.789 126.402 119.914 -0.502 0.000 2.614 616 V HA 0.358 4.481 4.120 0.004 0.000 0.291 616 V C 0.271 176.204 176.094 -0.267 0.000 1.049 616 V CA -0.357 61.632 62.300 -0.517 0.000 1.038 616 V CB 1.498 32.687 31.823 -1.056 0.000 0.980 616 V HN 0.545 nan 8.190 nan 0.000 0.481 617 V N 2.627 122.510 119.914 -0.051 0.000 2.876 617 V HA 0.832 4.955 4.120 0.004 0.000 0.312 617 V C -0.618 175.540 176.094 0.106 0.000 1.085 617 V CA -1.117 61.233 62.300 0.083 0.000 0.945 617 V CB 1.796 33.684 31.823 0.107 0.000 1.017 617 V HN 0.922 nan 8.190 nan 0.000 0.428 618 K N 0.000 120.483 120.400 0.139 0.000 2.780 618 K HA 0.000 4.323 4.320 0.004 0.000 0.191 618 K CA 0.000 56.357 56.287 0.117 0.000 0.838 618 K CB 0.000 32.582 32.500 0.136 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543