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 2ive_1_A DATA FIRST_RESID 10 DATA SEQUENCE MNVAVVGGGI SGLAVAHHLR SRGTDAVLLE SSARLGGAVG THALAGYLVE DATA SEQUENCE QGPNSFLDRE PATRALAAAL NLEGRIRAAD PAAKRRYVYT RGRLRSVPAS DATA SEQUENCE PPAFLASDIL PLGARLRVAG ELFSRRAPEG VDESLAAFGR RHLGHRATQV DATA SEQUENCE LLDAVQTGIY AGDVEQLSVA ATFPMLVKME REHRSLILGA IRAQKAQRQA DATA SEQUENCE XXXXGTAPKL SGALSTFDGG LQVLIDALAA SLGDAAHVGA RVEGLAREDG DATA SEQUENCE GWRLIIEEHG RRAELSVAQV VLAAPAHATA KLLRPLDDAL AALVAGIAYA DATA SEQUENCE PIAVVHLGFD AGTLPAPDGF GFLVPAEEQR RMLGAIHAST TFPFRAEGGR DATA SEQUENCE VLYSCMVGGA RQPGLVEQDE DALAALAREE LKALAGVTAR PSFTRVFRWP DATA SEQUENCE LGIPQYNLGH LERVAAIDAA LQRLPGLHLI GNAYKGVGLN DCIRNAAQLA DATA SEQUENCE DALVA 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 10 M HA 0.000 nan 4.480 nan 0.000 0.227 10 M C 0.000 176.316 176.300 0.027 0.000 1.140 10 M CA 0.000 55.315 55.300 0.025 0.000 0.988 10 M CB 0.000 32.610 32.600 0.016 0.000 1.302 11 N N 0.796 119.518 118.700 0.037 0.000 2.362 11 N HA 0.756 5.496 4.740 0.000 0.000 0.298 11 N C -1.232 174.309 175.510 0.052 0.000 1.048 11 N CA -0.684 52.390 53.050 0.039 0.000 0.858 11 N CB 2.129 40.639 38.487 0.039 0.000 1.218 11 N HN 0.405 nan 8.380 nan 0.000 0.488 12 V N -0.188 119.752 119.914 0.043 0.000 2.680 12 V HA 0.845 4.965 4.120 0.000 0.000 0.309 12 V C -0.072 176.045 176.094 0.039 0.000 1.052 12 V CA -1.084 61.243 62.300 0.044 0.000 0.908 12 V CB 1.378 33.216 31.823 0.026 0.000 1.001 12 V HN 0.999 nan 8.190 nan 0.000 0.431 13 A N 3.361 126.202 122.820 0.034 0.000 2.317 13 A HA 0.876 5.196 4.320 0.000 0.000 0.327 13 A C -0.884 176.706 177.584 0.009 0.000 1.178 13 A CA -0.572 51.480 52.037 0.024 0.000 0.817 13 A CB 1.547 20.559 19.000 0.019 0.000 1.189 13 A HN 0.723 nan 8.150 nan 0.000 0.489 14 V N 3.080 123.005 119.914 0.018 0.000 2.407 14 V HA 0.337 4.457 4.120 0.000 0.000 0.291 14 V C -0.465 175.637 176.094 0.013 0.000 1.018 14 V CA -0.502 61.806 62.300 0.014 0.000 0.842 14 V CB 1.550 33.388 31.823 0.025 0.000 0.996 14 V HN 0.632 nan 8.190 nan 0.000 0.426 15 V N 4.275 124.189 119.914 -0.000 0.000 2.333 15 V HA 0.885 5.006 4.120 0.000 0.000 0.274 15 V C 0.609 176.709 176.094 0.010 0.000 1.028 15 V CA 0.351 62.650 62.300 -0.002 0.000 0.851 15 V CB 0.726 32.535 31.823 -0.023 0.000 1.000 15 V HN 1.258 nan 8.190 nan 0.000 0.456 16 G N 3.547 112.358 108.800 0.019 0.000 3.187 16 G HA2 0.238 4.198 3.960 0.000 0.000 0.682 16 G HA3 0.238 4.198 3.960 0.000 0.000 0.682 16 G C 0.082 175.001 174.900 0.031 0.000 1.266 16 G CA -0.444 44.672 45.100 0.027 0.000 0.902 16 G HN 1.145 nan 8.290 nan 0.000 0.589 17 G N 0.458 109.277 108.800 0.033 0.000 3.805 17 G HA2 0.662 4.622 3.960 0.000 0.000 0.290 17 G HA3 0.662 4.622 3.960 0.000 0.000 0.290 17 G C 0.871 175.784 174.900 0.021 0.000 1.077 17 G CA 0.979 46.096 45.100 0.028 0.000 0.852 17 G HN 1.295 nan 8.290 nan 0.000 0.531 18 G N 0.356 109.168 108.800 0.021 0.000 2.563 18 G HA2 0.384 4.344 3.960 0.000 0.000 0.283 18 G HA3 0.384 4.344 3.960 0.000 0.000 0.283 18 G C 1.420 176.318 174.900 -0.004 0.000 1.309 18 G CA -0.278 44.826 45.100 0.007 0.000 1.022 18 G HN 0.338 nan 8.290 nan 0.000 0.501 19 I N -1.795 118.763 120.570 -0.021 0.000 2.194 19 I HA -0.183 3.987 4.170 0.000 0.000 0.246 19 I C 2.505 178.614 176.117 -0.014 0.000 1.093 19 I CA 1.911 63.193 61.300 -0.031 0.000 1.355 19 I CB -0.671 37.300 38.000 -0.049 0.000 1.046 19 I HN 0.283 nan 8.210 nan 0.000 0.413 20 S N 1.505 117.207 115.700 0.003 0.000 2.359 20 S HA -0.112 4.358 4.470 0.000 0.000 0.224 20 S C 2.105 176.718 174.600 0.023 0.000 1.035 20 S CA 1.650 59.862 58.200 0.020 0.000 1.018 20 S CB -0.997 62.232 63.200 0.048 0.000 0.876 20 S HN 0.752 nan 8.310 nan 0.000 0.448 21 G N 1.295 110.110 108.800 0.026 0.000 2.394 21 G HA2 -0.050 3.910 3.960 0.000 0.000 0.215 21 G HA3 -0.050 3.910 3.960 0.000 0.000 0.215 21 G C 1.366 176.284 174.900 0.030 0.000 1.165 21 G CA 0.408 45.525 45.100 0.028 0.000 0.784 21 G HN 0.409 nan 8.290 nan 0.000 0.535 22 L N 0.805 122.040 121.223 0.021 0.000 2.017 22 L HA -0.085 4.255 4.340 0.000 0.000 0.208 22 L C 3.418 180.317 176.870 0.048 0.000 1.073 22 L CA 1.207 56.061 54.840 0.022 0.000 0.745 22 L CB -0.454 41.599 42.059 -0.010 0.000 0.894 22 L HN 0.295 nan 8.230 nan 0.000 0.432 23 A N -0.475 122.362 122.820 0.028 0.000 1.902 23 A HA -0.144 4.177 4.320 0.000 0.000 0.217 23 A C 2.365 180.013 177.584 0.107 0.000 1.181 23 A CA 1.724 53.793 52.037 0.054 0.000 0.623 23 A CB -0.835 18.167 19.000 0.004 0.000 0.818 23 A HN 0.186 nan 8.150 nan 0.000 0.443 24 V N -0.189 119.762 119.914 0.061 0.000 2.295 24 V HA -0.269 3.852 4.120 0.000 0.000 0.246 24 V C 3.077 179.220 176.094 0.082 0.000 1.049 24 V CA 2.075 64.407 62.300 0.054 0.000 1.024 24 V CB -1.157 30.677 31.823 0.018 0.000 0.648 24 V HN 0.625 nan 8.190 nan 0.000 0.447 25 A N -0.703 122.162 122.820 0.075 0.000 1.902 25 A HA -0.300 4.020 4.320 0.000 0.000 0.217 25 A C 2.087 179.718 177.584 0.078 0.000 1.181 25 A CA 2.301 54.376 52.037 0.065 0.000 0.623 25 A CB -0.870 18.164 19.000 0.057 0.000 0.818 25 A HN 0.783 nan 8.150 nan 0.000 0.443 26 H N -1.731 117.354 119.070 0.026 0.000 2.353 26 H HA -0.197 4.359 4.556 0.000 0.000 0.300 26 H C 1.993 177.337 175.328 0.027 0.000 1.090 26 H CA 2.296 58.354 56.048 0.016 0.000 1.327 26 H CB -0.305 29.463 29.762 0.010 0.000 1.383 26 H HN 0.671 nan 8.280 nan 0.000 0.508 27 H N -0.594 118.493 119.070 0.028 0.000 2.423 27 H HA -0.022 4.534 4.556 0.000 0.000 0.297 27 H C 2.179 177.462 175.328 -0.075 0.000 1.075 27 H CA 1.516 57.550 56.048 -0.022 0.000 1.342 27 H CB -0.019 29.763 29.762 0.033 0.000 1.395 27 H HN 0.328 nan 8.280 nan 0.000 0.530 28 L N -0.324 120.924 121.223 0.042 0.000 2.027 28 L HA -0.144 4.196 4.340 0.000 0.000 0.206 28 L C 2.615 179.439 176.870 -0.078 0.000 1.074 28 L CA 1.303 56.138 54.840 -0.008 0.000 0.745 28 L CB -0.262 41.803 42.059 0.010 0.000 0.898 28 L HN 0.257 nan 8.230 nan 0.000 0.433 29 R N -0.035 120.402 120.500 -0.106 0.000 2.073 29 R HA -0.132 4.208 4.340 0.000 0.000 0.234 29 R C 2.243 178.437 176.300 -0.177 0.000 1.134 29 R CA 1.709 57.734 56.100 -0.125 0.000 0.952 29 R CB -0.610 29.615 30.300 -0.126 0.000 0.850 29 R HN 0.418 nan 8.270 nan 0.000 0.433 30 S N 0.441 115.968 115.700 -0.288 0.000 2.723 30 S HA 0.016 4.487 4.470 0.000 0.000 0.231 30 S C 1.173 175.627 174.600 -0.243 0.000 0.967 30 S CA 0.491 58.511 58.200 -0.300 0.000 0.958 30 S CB 0.033 62.968 63.200 -0.441 0.000 0.778 30 S HN 0.253 nan 8.310 nan 0.000 0.537 31 R N 0.101 120.484 120.500 -0.194 0.000 2.590 31 R HA 0.285 4.625 4.340 0.000 0.000 0.410 31 R C 0.659 176.909 176.300 -0.084 0.000 1.010 31 R CA 0.233 56.248 56.100 -0.141 0.000 1.155 31 R CB 0.684 30.897 30.300 -0.145 0.000 1.455 31 R HN 0.461 nan 8.270 nan 0.000 0.567 32 G N 1.741 110.493 108.800 -0.079 0.000 2.291 32 G HA2 -0.221 3.739 3.960 0.000 0.000 0.271 32 G HA3 -0.221 3.739 3.960 0.000 0.000 0.271 32 G C -0.257 174.621 174.900 -0.037 0.000 1.099 32 G CA 0.360 45.429 45.100 -0.052 0.000 0.919 32 G HN 0.190 nan 8.290 nan 0.000 0.496 33 T N 1.240 115.770 114.554 -0.039 0.000 3.170 33 T HA 0.424 4.775 4.350 0.000 0.000 0.315 33 T C -0.434 174.254 174.700 -0.019 0.000 0.967 33 T CA -0.328 61.760 62.100 -0.021 0.000 1.024 33 T CB 1.469 70.327 68.868 -0.015 0.000 1.018 33 T HN 0.489 nan 8.240 nan 0.000 0.449 34 D N 2.208 122.603 120.400 -0.008 0.000 2.390 34 D HA 0.476 5.116 4.640 0.000 0.000 0.249 34 D C -0.260 176.047 176.300 0.012 0.000 1.144 34 D CA -0.520 53.480 54.000 -0.001 0.000 0.880 34 D CB 1.260 42.063 40.800 0.006 0.000 1.182 34 D HN 0.561 nan 8.370 nan 0.000 0.451 35 A N 2.307 125.136 122.820 0.015 0.000 2.401 35 A HA 0.585 4.905 4.320 0.000 0.000 0.310 35 A C -0.848 176.764 177.584 0.047 0.000 1.075 35 A CA -0.845 51.209 52.037 0.028 0.000 0.746 35 A CB 1.948 20.961 19.000 0.021 0.000 1.277 35 A HN 0.408 nan 8.150 nan 0.000 0.425 36 V N 1.981 121.932 119.914 0.062 0.000 2.495 36 V HA 0.558 4.678 4.120 0.000 0.000 0.298 36 V C -0.403 175.749 176.094 0.097 0.000 1.031 36 V CA -0.433 61.929 62.300 0.103 0.000 0.871 36 V CB 1.323 33.210 31.823 0.107 0.000 0.988 36 V HN 0.825 nan 8.190 nan 0.000 0.432 37 L N 5.897 127.196 121.223 0.127 0.000 2.322 37 L HA 0.732 5.072 4.340 0.000 0.000 0.281 37 L C -1.279 175.669 176.870 0.130 0.000 1.014 37 L CA -0.395 54.502 54.840 0.096 0.000 0.815 37 L CB 1.451 43.548 42.059 0.065 0.000 1.247 37 L HN 0.586 nan 8.230 nan 0.000 0.421 38 L N 4.388 125.659 121.223 0.078 0.000 2.356 38 L HA 0.615 4.955 4.340 0.000 0.000 0.277 38 L C -0.952 175.944 176.870 0.044 0.000 0.996 38 L CA -0.490 54.390 54.840 0.067 0.000 0.822 38 L CB 1.884 43.953 42.059 0.017 0.000 1.256 38 L HN 0.494 nan 8.230 nan 0.000 0.413 39 E N 0.947 121.176 120.200 0.048 0.000 2.246 39 E HA 0.396 4.746 4.350 0.000 0.000 0.266 39 E C -0.105 176.512 176.600 0.027 0.000 0.880 39 E CA -0.462 55.960 56.400 0.037 0.000 0.762 39 E CB 2.033 31.757 29.700 0.041 0.000 1.180 39 E HN 0.445 nan 8.360 nan 0.000 0.416 40 S N 1.751 117.466 115.700 0.025 0.000 2.359 40 S HA -0.065 4.406 4.470 0.000 0.000 0.224 40 S C 0.605 175.221 174.600 0.026 0.000 1.035 40 S CA 1.038 59.251 58.200 0.021 0.000 1.018 40 S CB -0.158 63.059 63.200 0.027 0.000 0.876 40 S HN 0.591 nan 8.310 nan 0.000 0.448 41 S N 0.954 116.680 115.700 0.042 0.000 2.596 41 S HA 0.407 4.877 4.470 0.000 0.000 0.260 41 S C 1.416 176.039 174.600 0.038 0.000 1.336 41 S CA 0.016 58.245 58.200 0.049 0.000 0.993 41 S CB 0.680 63.923 63.200 0.073 0.000 0.923 41 S HN 0.464 nan 8.310 nan 0.000 0.567 42 A N 0.746 123.591 122.820 0.041 0.000 2.168 42 A HA 0.052 4.372 4.320 0.000 0.000 0.215 42 A C 0.817 178.424 177.584 0.038 0.000 1.152 42 A CA 0.631 52.689 52.037 0.035 0.000 0.716 42 A CB -0.389 18.634 19.000 0.039 0.000 0.794 42 A HN 0.767 nan 8.150 nan 0.000 0.465 43 R N -1.508 119.020 120.500 0.046 0.000 2.740 43 R HA 0.652 4.992 4.340 0.000 0.000 0.273 43 R C -1.191 175.132 176.300 0.040 0.000 0.998 43 R CA -1.049 55.076 56.100 0.041 0.000 0.900 43 R CB 0.735 31.065 30.300 0.051 0.000 1.223 43 R HN -0.087 nan 8.270 nan 0.000 0.466 44 L N 0.867 122.104 121.223 0.023 0.000 2.466 44 L HA 0.478 4.818 4.340 0.000 0.000 0.257 44 L C 1.498 178.377 176.870 0.016 0.000 1.189 44 L CA 1.304 56.154 54.840 0.017 0.000 0.813 44 L CB 0.615 42.673 42.059 -0.001 0.000 1.118 44 L HN 1.152 nan 8.230 nan 0.000 0.471 45 G N -0.626 108.181 108.800 0.012 0.000 2.699 45 G HA2 0.078 4.039 3.960 0.000 0.000 0.198 45 G HA3 0.078 4.039 3.960 0.000 0.000 0.198 45 G C 0.716 175.623 174.900 0.012 0.000 1.033 45 G CA 0.272 45.373 45.100 0.002 0.000 0.728 45 G HN 1.366 nan 8.290 nan 0.000 0.484 46 G N 0.639 109.468 108.800 0.049 0.000 2.595 46 G HA2 0.064 4.024 3.960 0.000 0.000 0.297 46 G HA3 0.064 4.024 3.960 0.000 0.000 0.297 46 G C 1.655 176.584 174.900 0.049 0.000 1.181 46 G CA 2.659 47.793 45.100 0.057 0.000 0.963 46 G HN 2.032 nan 8.290 nan 0.000 0.541 47 A N -0.299 122.452 122.820 -0.114 0.000 1.970 47 A HA 0.510 4.830 4.320 0.000 0.000 0.216 47 A C 1.477 178.960 177.584 -0.169 0.000 1.170 47 A CA 2.008 53.824 52.037 -0.369 0.000 0.645 47 A CB -0.326 18.361 19.000 -0.521 0.000 0.816 47 A HN 1.522 nan 8.150 nan 0.000 0.447 48 V N 0.395 120.258 119.914 -0.084 0.000 2.508 48 V HA 0.546 4.666 4.120 0.000 0.000 0.281 48 V C 0.492 176.577 176.094 -0.016 0.000 1.041 48 V CA 0.444 62.716 62.300 -0.046 0.000 1.016 48 V CB 0.380 32.175 31.823 -0.045 0.000 0.984 48 V HN 0.595 nan 8.190 nan 0.000 0.478 49 G N 2.775 111.561 108.800 -0.024 0.000 2.717 49 G HA2 0.539 4.499 3.960 0.000 0.000 0.300 49 G HA3 0.539 4.499 3.960 0.000 0.000 0.300 49 G C -0.911 173.903 174.900 -0.144 0.000 1.424 49 G CA -0.548 44.499 45.100 -0.088 0.000 1.033 49 G HN 0.578 nan 8.290 nan 0.000 0.577 50 T N 2.241 116.667 114.554 -0.214 0.000 2.807 50 T HA 0.623 4.973 4.350 0.000 0.000 0.279 50 T C -0.651 173.893 174.700 -0.259 0.000 0.993 50 T CA -0.629 61.392 62.100 -0.133 0.000 0.970 50 T CB 1.255 70.111 68.868 -0.020 0.000 0.950 50 T HN 0.529 nan 8.240 nan 0.000 0.441 51 H N 0.928 120.037 119.070 0.065 0.000 2.524 51 H HA 0.605 5.161 4.556 0.000 0.000 0.353 51 H C -0.481 174.899 175.328 0.087 0.000 1.136 51 H CA -0.811 55.298 56.048 0.102 0.000 1.193 51 H CB 1.843 31.717 29.762 0.187 0.000 1.558 51 H HN 0.757 nan 8.280 nan 0.000 0.515 52 A N 4.671 127.596 122.820 0.176 0.000 2.294 52 A HA 0.529 4.849 4.320 0.000 0.000 0.316 52 A C -0.437 177.204 177.584 0.096 0.000 1.359 52 A CA -0.447 51.654 52.037 0.107 0.000 0.956 52 A CB -0.371 18.668 19.000 0.065 0.000 1.155 52 A HN 0.546 nan 8.150 nan 0.000 0.544 53 L N 1.718 122.970 121.223 0.048 0.000 2.470 53 L HA 0.598 4.938 4.340 0.000 0.000 0.268 53 L C 0.851 177.585 176.870 -0.227 0.000 0.964 53 L CA -0.283 54.546 54.840 -0.018 0.000 0.839 53 L CB 1.983 44.112 42.059 0.116 0.000 1.276 53 L HN 1.119 nan 8.230 nan 0.000 0.403 54 A N 2.246 124.961 122.820 -0.175 0.000 2.799 54 A HA -0.031 4.289 4.320 0.000 0.000 0.287 54 A C 1.374 178.739 177.584 -0.366 0.000 1.484 54 A CA 1.410 53.314 52.037 -0.222 0.000 0.813 54 A CB -1.877 16.979 19.000 -0.241 0.000 1.009 54 A HN 1.995 nan 8.150 nan 0.000 0.545 55 G N -4.311 104.309 108.800 -0.299 0.000 2.157 55 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 55 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 55 G C -0.075 174.553 174.900 -0.452 0.000 0.979 55 G CA 0.767 45.648 45.100 -0.366 0.000 0.650 55 G HN 1.510 nan 8.290 nan 0.000 0.529 56 Y N -1.317 118.865 120.300 -0.197 0.000 2.528 56 Y HA 0.759 5.309 4.550 0.000 0.000 0.335 56 Y C 0.214 176.071 175.900 -0.070 0.000 1.093 56 Y CA -1.505 56.508 58.100 -0.145 0.000 1.134 56 Y CB 1.453 39.770 38.460 -0.238 0.000 1.253 56 Y HN 0.000 nan 8.280 nan 0.000 0.478 57 L N 3.204 124.528 121.223 0.168 0.000 2.283 57 L HA 0.429 4.769 4.340 0.000 0.000 0.281 57 L C -0.624 176.322 176.870 0.126 0.000 1.033 57 L CA -0.714 54.205 54.840 0.132 0.000 0.848 57 L CB 0.647 42.780 42.059 0.122 0.000 1.226 57 L HN 0.470 nan 8.230 nan 0.000 0.429 58 V N 0.528 120.507 119.914 0.108 0.000 2.539 58 V HA 0.640 4.760 4.120 0.000 0.000 0.292 58 V C 0.086 176.207 176.094 0.045 0.000 1.045 58 V CA -0.739 61.558 62.300 -0.006 0.000 0.945 58 V CB 1.694 33.394 31.823 -0.204 0.000 0.993 58 V HN 0.564 nan 8.190 nan 0.000 0.464 59 E N 3.190 123.434 120.200 0.073 0.000 2.174 59 E HA 0.278 4.628 4.350 0.000 0.000 0.282 59 E C 0.415 177.027 176.600 0.019 0.000 0.992 59 E CA -0.342 56.115 56.400 0.094 0.000 0.803 59 E CB 2.262 32.053 29.700 0.151 0.000 1.090 59 E HN 0.808 nan 8.360 nan 0.000 0.396 60 Q N 1.446 121.142 119.800 -0.174 0.000 2.014 60 Q HA -0.182 4.158 4.340 0.000 0.000 0.207 60 Q C 1.275 177.327 176.000 0.087 0.000 0.993 60 Q CA 2.193 57.743 55.803 -0.422 0.000 0.850 60 Q CB 0.108 28.828 28.738 -0.031 0.000 0.916 60 Q HN 0.717 nan 8.270 nan 0.000 0.417 61 G N -0.557 108.281 108.800 0.063 0.000 2.449 61 G HA2 0.164 4.124 3.960 0.000 0.000 0.192 61 G HA3 0.164 4.124 3.960 0.000 0.000 0.192 61 G C -2.290 172.608 174.900 -0.003 0.000 1.776 61 G CA -0.316 44.777 45.100 -0.012 0.000 0.699 61 G HN 0.170 nan 8.290 nan 0.000 0.745 62 P HA 0.165 nan 4.420 nan 0.000 0.268 62 P C -0.354 176.998 177.300 0.086 0.000 1.205 62 P CA 0.263 63.366 63.100 0.006 0.000 0.771 62 P CB 1.486 33.175 31.700 -0.018 0.000 0.858 63 N N -0.148 118.635 118.700 0.139 0.000 2.516 63 N HA 0.031 4.771 4.740 0.000 0.000 0.197 63 N C 0.427 176.090 175.510 0.255 0.000 1.064 63 N CA 0.412 53.593 53.050 0.218 0.000 0.866 63 N CB 0.529 39.180 38.487 0.274 0.000 1.255 63 N HN 0.573 nan 8.380 nan 0.000 0.447 64 S N -0.064 115.778 115.700 0.236 0.000 2.625 64 S HA 0.668 5.138 4.470 0.000 0.000 0.271 64 S C -1.300 173.431 174.600 0.218 0.000 1.161 64 S CA -0.948 57.381 58.200 0.215 0.000 0.820 64 S CB 1.488 64.823 63.200 0.224 0.000 1.137 64 S HN 0.158 nan 8.310 nan 0.000 0.470 65 F N -0.353 119.584 119.950 -0.023 0.000 2.565 65 F HA 0.820 5.347 4.527 0.000 0.000 0.313 65 F C -1.467 174.295 175.800 -0.063 0.000 1.091 65 F CA -1.461 56.511 58.000 -0.047 0.000 0.915 65 F CB 0.734 39.701 39.000 -0.055 0.000 1.208 65 F HN 0.445 nan 8.300 nan 0.000 0.453 66 L N 2.946 124.126 121.223 -0.073 0.000 2.433 66 L HA 0.170 4.510 4.340 0.000 0.000 0.275 66 L C 0.221 177.026 176.870 -0.108 0.000 1.128 66 L CA 0.247 54.994 54.840 -0.155 0.000 0.875 66 L CB -0.109 41.909 42.059 -0.068 0.000 1.171 66 L HN 0.648 nan 8.230 nan 0.000 0.463 67 D N 3.991 124.234 120.400 -0.262 0.000 2.597 67 D HA 0.055 4.696 4.640 0.000 0.000 0.228 67 D C 1.061 177.352 176.300 -0.015 0.000 1.120 67 D CA 0.162 54.092 54.000 -0.118 0.000 1.083 67 D CB 0.112 40.779 40.800 -0.221 0.000 1.116 67 D HN 0.603 nan 8.370 nan 0.000 0.487 68 R N 0.448 120.971 120.500 0.039 0.000 2.526 68 R HA 0.206 4.546 4.340 0.000 0.000 0.346 68 R C -0.069 176.257 176.300 0.043 0.000 0.926 68 R CA -0.569 55.546 56.100 0.025 0.000 1.147 68 R CB 0.179 30.482 30.300 0.004 0.000 1.629 68 R HN -0.041 nan 8.270 nan 0.000 0.516 69 E N 2.186 122.430 120.200 0.074 0.000 2.133 69 E HA 0.342 4.692 4.350 0.000 0.000 0.274 69 E C -2.019 174.612 176.600 0.051 0.000 0.930 69 E CA -2.884 53.550 56.400 0.056 0.000 0.770 69 E CB 1.853 31.587 29.700 0.056 0.000 1.104 69 E HN -0.129 nan 8.360 nan 0.000 0.403 70 P HA -0.145 nan 4.420 nan 0.000 0.216 70 P C 0.730 178.049 177.300 0.031 0.000 1.150 70 P CA 1.710 64.830 63.100 0.033 0.000 0.837 70 P CB 0.204 31.920 31.700 0.026 0.000 0.786 71 A N -0.989 121.843 122.820 0.020 0.000 1.933 71 A HA -0.202 4.118 4.320 0.000 0.000 0.218 71 A C 2.429 180.015 177.584 0.004 0.000 1.175 71 A CA 2.427 54.471 52.037 0.011 0.000 0.628 71 A CB -1.882 17.112 19.000 -0.011 0.000 0.814 71 A HN 0.248 nan 8.150 nan 0.000 0.444 72 T N -1.853 112.696 114.554 -0.008 0.000 3.023 72 T HA -0.050 4.300 4.350 0.000 0.000 0.266 72 T C 2.076 176.770 174.700 -0.010 0.000 1.093 72 T CA 0.933 63.002 62.100 -0.052 0.000 1.129 72 T CB -0.319 68.466 68.868 -0.137 0.000 0.899 72 T HN 0.359 nan 8.240 nan 0.000 0.491 73 R N 0.665 121.188 120.500 0.037 0.000 2.062 73 R HA 0.199 4.539 4.340 0.000 0.000 0.229 73 R C 2.734 179.063 176.300 0.047 0.000 1.128 73 R CA 1.304 57.438 56.100 0.057 0.000 0.960 73 R CB -1.075 29.261 30.300 0.060 0.000 0.855 73 R HN 0.476 nan 8.270 nan 0.000 0.432 74 A N 1.507 124.353 122.820 0.045 0.000 1.972 74 A HA -0.126 4.194 4.320 0.000 0.000 0.219 74 A C 2.140 179.759 177.584 0.059 0.000 1.169 74 A CA 0.953 53.023 52.037 0.055 0.000 0.635 74 A CB -0.475 18.566 19.000 0.068 0.000 0.810 74 A HN 0.182 nan 8.150 nan 0.000 0.446 75 L N -0.702 120.545 121.223 0.040 0.000 2.109 75 L HA -0.060 4.280 4.340 0.000 0.000 0.207 75 L C 2.700 179.553 176.870 -0.029 0.000 1.086 75 L CA 2.035 56.878 54.840 0.006 0.000 0.760 75 L CB -1.148 40.888 42.059 -0.038 0.000 0.910 75 L HN 0.418 nan 8.230 nan 0.000 0.437 76 A N -0.497 122.327 122.820 0.007 0.000 1.969 76 A HA -0.043 4.277 4.320 0.000 0.000 0.218 76 A C 2.418 180.023 177.584 0.034 0.000 1.169 76 A CA 1.429 53.490 52.037 0.040 0.000 0.635 76 A CB -0.490 18.596 19.000 0.144 0.000 0.810 76 A HN 0.499 nan 8.150 nan 0.000 0.445 77 A N -0.019 122.824 122.820 0.038 0.000 1.854 77 A HA 0.298 4.618 4.320 0.000 0.000 0.214 77 A C 2.276 179.878 177.584 0.030 0.000 1.192 77 A CA 1.510 53.568 52.037 0.035 0.000 0.611 77 A CB -0.976 18.046 19.000 0.037 0.000 0.832 77 A HN 1.093 nan 8.150 nan 0.000 0.442 78 A N -1.888 120.958 122.820 0.043 0.000 2.263 78 A HA 0.332 4.652 4.320 0.000 0.000 0.205 78 A C 1.223 178.849 177.584 0.071 0.000 1.226 78 A CA 1.009 53.086 52.037 0.067 0.000 0.810 78 A CB -0.304 18.765 19.000 0.116 0.000 0.784 78 A HN 0.511 nan 8.150 nan 0.000 0.486 79 L N -1.411 119.819 121.223 0.011 0.000 3.520 79 L HA 0.243 4.583 4.340 0.000 0.000 0.323 79 L C -0.305 176.542 176.870 -0.039 0.000 1.246 79 L CA 0.191 55.012 54.840 -0.033 0.000 1.085 79 L CB -0.231 41.746 42.059 -0.136 0.000 1.477 79 L HN 0.424 nan 8.230 nan 0.000 0.624 80 N N 0.763 119.456 118.700 -0.012 0.000 2.727 80 N HA -0.226 4.514 4.740 0.000 0.000 0.251 80 N C 0.501 176.004 175.510 -0.011 0.000 1.040 80 N CA 1.081 54.126 53.050 -0.008 0.000 0.712 80 N CB -1.544 36.936 38.487 -0.012 0.000 0.912 80 N HN 0.394 nan 8.380 nan 0.000 0.545 81 L N -0.698 120.532 121.223 0.012 0.000 2.920 81 L HA 0.146 4.486 4.340 0.000 0.000 0.257 81 L C 1.909 178.873 176.870 0.156 0.000 1.150 81 L CA -0.229 54.642 54.840 0.052 0.000 0.959 81 L CB 0.137 42.186 42.059 -0.017 0.000 1.321 81 L HN 0.112 nan 8.230 nan 0.000 0.555 82 E N 1.134 121.398 120.200 0.107 0.000 2.171 82 E HA -0.183 4.167 4.350 0.000 0.000 0.197 82 E C 1.963 178.604 176.600 0.068 0.000 0.997 82 E CA 1.334 57.791 56.400 0.096 0.000 0.810 82 E CB -0.011 29.724 29.700 0.059 0.000 0.738 82 E HN 0.535 nan 8.360 nan 0.000 0.467 83 G N 0.086 108.916 108.800 0.050 0.000 2.813 83 G HA2 -0.124 3.836 3.960 0.000 0.000 0.209 83 G HA3 -0.124 3.836 3.960 0.000 0.000 0.209 83 G C 1.332 176.244 174.900 0.019 0.000 1.150 83 G CA -0.225 44.888 45.100 0.022 0.000 0.785 83 G HN 0.063 nan 8.290 nan 0.000 0.535 84 R N -0.536 120.008 120.500 0.073 0.000 2.362 84 R HA 0.311 4.652 4.340 0.000 0.000 0.227 84 R C 0.170 176.545 176.300 0.125 0.000 0.905 84 R CA -0.338 55.814 56.100 0.088 0.000 1.067 84 R CB 0.413 30.785 30.300 0.120 0.000 1.078 84 R HN 0.294 nan 8.270 nan 0.000 0.516 85 I N 1.900 122.507 120.570 0.061 0.000 2.634 85 I HA 0.048 4.218 4.170 0.000 0.000 0.284 85 I C 0.353 176.373 176.117 -0.161 0.000 1.124 85 I CA 0.209 61.427 61.300 -0.137 0.000 1.417 85 I CB 0.479 38.411 38.000 -0.112 0.000 1.396 85 I HN -0.158 nan 8.210 nan 0.000 0.571 86 R N 5.012 125.376 120.500 -0.227 0.000 2.483 86 R HA 0.464 4.804 4.340 0.000 0.000 0.303 86 R C -0.716 175.561 176.300 -0.039 0.000 0.987 86 R CA -0.987 55.022 56.100 -0.152 0.000 0.881 86 R CB 1.764 31.911 30.300 -0.255 0.000 1.177 86 R HN 0.763 nan 8.270 nan 0.000 0.451 87 A N 2.313 125.145 122.820 0.019 0.000 2.608 87 A HA 0.064 4.385 4.320 0.000 0.000 0.246 87 A C 0.736 178.531 177.584 0.352 0.000 0.998 87 A CA 0.766 52.860 52.037 0.093 0.000 0.796 87 A CB -0.005 19.036 19.000 0.068 0.000 0.895 87 A HN 0.791 nan 8.150 nan 0.000 0.508 88 A N 4.239 127.284 122.820 0.375 0.000 2.898 88 A HA 0.326 4.646 4.320 0.000 0.000 0.288 88 A C 0.446 178.011 177.584 -0.032 0.000 1.771 88 A CA 0.340 52.544 52.037 0.278 0.000 1.383 88 A CB -0.756 18.151 19.000 -0.155 0.000 1.028 88 A HN 0.916 nan 8.150 nan 0.000 0.595 89 D N 2.248 122.702 120.400 0.090 0.000 2.080 89 D HA 0.134 4.774 4.640 0.000 0.000 0.267 89 D C -0.709 175.591 176.300 -0.000 0.000 1.165 89 D CA 0.283 54.336 54.000 0.088 0.000 0.982 89 D CB 0.009 40.916 40.800 0.178 0.000 1.172 89 D HN 0.366 nan 8.370 nan 0.000 0.503 90 P HA 0.124 nan 4.420 nan 0.000 0.239 90 P C 0.197 177.503 177.300 0.010 0.000 1.215 90 P CA 0.735 63.846 63.100 0.018 0.000 0.654 90 P CB -0.394 31.325 31.700 0.032 0.000 1.146 91 A N 0.084 122.917 122.820 0.021 0.000 5.568 91 A HA -0.140 4.180 4.320 0.000 0.000 0.322 91 A C 0.938 178.547 177.584 0.041 0.000 1.802 91 A CA 1.465 53.522 52.037 0.033 0.000 0.727 91 A CB -2.413 16.607 19.000 0.034 0.000 1.362 91 A HN 0.771 nan 8.150 nan 0.000 0.396 92 A N -0.476 122.386 122.820 0.070 0.000 2.396 92 A HA 0.517 4.837 4.320 0.000 0.000 0.279 92 A C 0.891 178.500 177.584 0.041 0.000 1.165 92 A CA 0.624 52.708 52.037 0.079 0.000 0.824 92 A CB -0.007 19.091 19.000 0.162 0.000 1.100 92 A HN 0.612 nan 8.150 nan 0.000 0.516 93 K N 1.535 121.937 120.400 0.003 0.000 2.439 93 K HA -0.055 4.266 4.320 0.000 0.000 0.197 93 K C 0.413 176.998 176.600 -0.025 0.000 1.041 93 K CA 0.525 56.797 56.287 -0.026 0.000 0.970 93 K CB -0.013 32.464 32.500 -0.039 0.000 0.773 93 K HN 0.672 nan 8.250 nan 0.000 0.479 94 R N 1.458 121.941 120.500 -0.029 0.000 2.694 94 R HA 0.062 4.402 4.340 0.000 0.000 0.268 94 R C 0.216 176.450 176.300 -0.109 0.000 1.061 94 R CA 0.365 56.388 56.100 -0.128 0.000 1.133 94 R CB 0.428 30.591 30.300 -0.229 0.000 1.020 94 R HN 0.175 nan 8.270 nan 0.000 0.475 95 R N 0.908 121.279 120.500 -0.215 0.000 2.867 95 R HA 0.455 4.796 4.340 0.000 0.000 0.268 95 R C -1.189 174.919 176.300 -0.321 0.000 1.014 95 R CA -0.888 55.138 56.100 -0.122 0.000 0.946 95 R CB 1.251 31.576 30.300 0.041 0.000 1.208 95 R HN 0.428 nan 8.270 nan 0.000 0.477 96 Y N -0.422 119.910 120.300 0.053 0.000 2.536 96 Y HA 0.553 5.103 4.550 0.000 0.000 0.347 96 Y C -0.422 175.557 175.900 0.132 0.000 1.000 96 Y CA -0.986 57.167 58.100 0.087 0.000 1.051 96 Y CB 2.828 41.345 38.460 0.094 0.000 1.259 96 Y HN 0.235 nan 8.280 nan 0.000 0.468 97 V N 2.255 122.333 119.914 0.274 0.000 2.531 97 V HA 0.170 4.290 4.120 0.000 0.000 0.301 97 V C -1.269 174.956 176.094 0.219 0.000 1.034 97 V CA -1.167 61.274 62.300 0.234 0.000 0.865 97 V CB 1.570 33.479 31.823 0.144 0.000 0.995 97 V HN 0.657 nan 8.190 nan 0.000 0.424 98 Y N 3.959 124.343 120.300 0.140 0.000 2.584 98 Y HA 0.488 5.038 4.550 0.000 0.000 0.351 98 Y C 0.429 176.364 175.900 0.057 0.000 1.030 98 Y CA 0.783 58.919 58.100 0.059 0.000 1.332 98 Y CB 0.633 39.115 38.460 0.037 0.000 1.148 98 Y HN 0.706 nan 8.280 nan 0.000 0.528 99 T N 6.631 120.991 114.554 -0.324 0.000 2.993 99 T HA 0.376 4.726 4.350 0.000 0.000 0.312 99 T C -0.895 173.623 174.700 -0.304 0.000 1.115 99 T CA -0.767 61.203 62.100 -0.216 0.000 1.027 99 T CB 0.580 69.418 68.868 -0.050 0.000 1.116 99 T HN 0.768 nan 8.240 nan 0.000 0.464 100 R N 2.990 123.355 120.500 -0.226 0.000 3.146 100 R HA -0.221 4.119 4.340 0.000 0.000 0.250 100 R C 1.128 177.279 176.300 -0.248 0.000 0.912 100 R CA 0.974 56.969 56.100 -0.174 0.000 0.633 100 R CB -1.911 28.325 30.300 -0.107 0.000 1.180 100 R HN 1.548 nan 8.270 nan 0.000 0.464 101 G N -0.327 108.268 108.800 -0.341 0.000 2.284 101 G HA2 -0.405 3.555 3.960 0.000 0.000 0.247 101 G HA3 -0.405 3.555 3.960 0.000 0.000 0.247 101 G C 0.129 174.839 174.900 -0.316 0.000 1.012 101 G CA 0.737 45.699 45.100 -0.229 0.000 0.618 101 G HN 0.766 nan 8.290 nan 0.000 0.521 102 R N -0.870 119.297 120.500 -0.555 0.000 2.781 102 R HA 0.752 5.093 4.340 0.000 0.000 0.269 102 R C -0.734 175.355 176.300 -0.352 0.000 1.025 102 R CA -1.210 54.700 56.100 -0.315 0.000 0.914 102 R CB 0.651 30.869 30.300 -0.136 0.000 1.236 102 R HN 0.188 nan 8.270 nan 0.000 0.465 103 L N 1.862 123.035 121.223 -0.082 0.000 2.367 103 L HA 0.406 4.746 4.340 0.000 0.000 0.275 103 L C 0.127 177.040 176.870 0.071 0.000 1.129 103 L CA -0.095 54.739 54.840 -0.010 0.000 0.839 103 L CB 0.665 42.634 42.059 -0.149 0.000 1.133 103 L HN 0.531 nan 8.230 nan 0.000 0.453 104 R N 1.773 122.382 120.500 0.181 0.000 2.561 104 R HA 0.262 4.602 4.340 0.000 0.000 0.297 104 R C -0.631 175.800 176.300 0.218 0.000 0.969 104 R CA -0.554 55.653 56.100 0.177 0.000 0.879 104 R CB 2.131 32.454 30.300 0.040 0.000 1.178 104 R HN 0.548 nan 8.270 nan 0.000 0.445 105 S N 2.030 117.799 115.700 0.115 0.000 2.498 105 S HA 0.031 4.501 4.470 0.000 0.000 0.281 105 S C 0.065 174.596 174.600 -0.116 0.000 1.265 105 S CA -0.509 57.557 58.200 -0.223 0.000 1.071 105 S CB 0.551 63.642 63.200 -0.181 0.000 0.894 105 S HN 0.402 nan 8.310 nan 0.000 0.491 106 V N 8.682 128.515 119.914 -0.136 0.000 2.427 106 V HA 0.460 4.581 4.120 0.000 0.000 0.268 106 V C -2.265 173.816 176.094 -0.022 0.000 1.046 106 V CA -1.978 60.307 62.300 -0.026 0.000 0.970 106 V CB 0.497 32.325 31.823 0.008 0.000 1.001 106 V HN 0.799 nan 8.190 nan 0.000 0.476 107 P HA 0.304 nan 4.420 nan 0.000 0.272 107 P C 0.110 177.437 177.300 0.044 0.000 1.223 107 P CA -0.044 63.089 63.100 0.054 0.000 0.784 107 P CB 1.188 32.967 31.700 0.131 0.000 0.923 108 A N 0.972 123.801 122.820 0.014 0.000 2.303 108 A HA 0.278 4.598 4.320 0.000 0.000 0.217 108 A C 0.634 178.215 177.584 -0.005 0.000 1.205 108 A CA 0.596 52.629 52.037 -0.007 0.000 0.875 108 A CB -0.295 18.692 19.000 -0.022 0.000 0.910 108 A HN 0.566 nan 8.150 nan 0.000 0.501 109 S N -2.038 113.674 115.700 0.020 0.000 2.549 109 S HA 0.583 5.053 4.470 0.000 0.000 0.280 109 S C -2.532 172.101 174.600 0.054 0.000 1.109 109 S CA -1.174 57.036 58.200 0.016 0.000 0.905 109 S CB 1.878 65.085 63.200 0.011 0.000 1.081 109 S HN -0.108 nan 8.310 nan 0.000 0.477 110 P HA -0.036 nan 4.420 nan 0.000 0.216 110 P C -1.623 175.746 177.300 0.116 0.000 1.154 110 P CA 1.591 64.725 63.100 0.056 0.000 0.865 110 P CB -1.108 30.594 31.700 0.002 0.000 0.789 111 P HA -0.058 nan 4.420 nan 0.000 0.217 111 P C 1.443 178.781 177.300 0.063 0.000 1.151 111 P CA 1.603 64.738 63.100 0.059 0.000 0.828 111 P CB -0.602 31.117 31.700 0.031 0.000 0.788 112 A N -0.820 122.039 122.820 0.065 0.000 1.933 112 A HA -0.191 4.129 4.320 0.000 0.000 0.218 112 A C 2.108 179.734 177.584 0.070 0.000 1.175 112 A CA 1.291 53.359 52.037 0.051 0.000 0.628 112 A CB -1.852 17.174 19.000 0.043 0.000 0.814 112 A HN 0.166 nan 8.150 nan 0.000 0.444 113 F N 0.103 120.041 119.950 -0.020 0.000 2.134 113 F HA -0.134 4.393 4.527 0.000 0.000 0.299 113 F C 1.711 177.504 175.800 -0.012 0.000 1.097 113 F CA 1.499 59.488 58.000 -0.018 0.000 1.264 113 F CB -0.183 38.806 39.000 -0.019 0.000 1.001 113 F HN 0.142 nan 8.300 nan 0.000 0.479 114 L N 0.317 121.560 121.223 0.034 0.000 2.141 114 L HA -0.044 4.296 4.340 0.000 0.000 0.209 114 L C 2.465 179.263 176.870 -0.119 0.000 1.094 114 L CA 1.760 56.567 54.840 -0.055 0.000 0.763 114 L CB -1.417 40.677 42.059 0.057 0.000 0.908 114 L HN 0.267 nan 8.230 nan 0.000 0.437 115 A N -2.362 120.407 122.820 -0.085 0.000 2.195 115 A HA 0.108 4.429 4.320 0.000 0.000 0.210 115 A C 1.513 179.033 177.584 -0.106 0.000 1.165 115 A CA 0.340 52.331 52.037 -0.076 0.000 0.806 115 A CB -0.258 18.720 19.000 -0.037 0.000 0.847 115 A HN 0.291 nan 8.150 nan 0.000 0.482 116 S N 0.439 116.043 115.700 -0.161 0.000 2.589 116 S HA 0.188 4.659 4.470 0.000 0.000 0.265 116 S C 0.549 175.045 174.600 -0.174 0.000 1.342 116 S CA 0.392 58.496 58.200 -0.160 0.000 1.005 116 S CB 0.518 63.602 63.200 -0.192 0.000 0.909 116 S HN 0.519 nan 8.310 nan 0.000 0.555 117 D N 1.685 122.012 120.400 -0.121 0.000 2.424 117 D HA 0.097 4.737 4.640 0.000 0.000 0.220 117 D C 1.011 177.251 176.300 -0.099 0.000 1.150 117 D CA -0.297 53.640 54.000 -0.106 0.000 0.831 117 D CB -0.245 40.514 40.800 -0.069 0.000 0.981 117 D HN 0.387 nan 8.370 nan 0.000 0.500 118 I N -0.063 120.437 120.570 -0.117 0.000 2.454 118 I HA 0.036 4.206 4.170 0.000 0.000 0.254 118 I C -0.158 175.923 176.117 -0.059 0.000 1.156 118 I CA 1.241 62.501 61.300 -0.067 0.000 1.433 118 I CB 0.131 38.114 38.000 -0.028 0.000 1.082 118 I HN 0.112 nan 8.210 nan 0.000 0.432 119 L N 0.437 121.595 121.223 -0.108 0.000 2.424 119 L HA 0.464 4.804 4.340 0.000 0.000 0.258 119 L C -2.455 174.362 176.870 -0.088 0.000 0.995 119 L CA -2.076 52.724 54.840 -0.068 0.000 0.821 119 L CB 1.785 43.829 42.059 -0.026 0.000 1.383 119 L HN -0.266 nan 8.230 nan 0.000 0.410 120 P HA -0.014 nan 4.420 nan 0.000 0.269 120 P C 0.611 177.880 177.300 -0.053 0.000 1.217 120 P CA -0.384 62.687 63.100 -0.048 0.000 0.783 120 P CB 1.023 32.707 31.700 -0.026 0.000 0.898 121 L N 2.741 123.935 121.223 -0.049 0.000 2.013 121 L HA -0.134 4.206 4.340 0.000 0.000 0.212 121 L C 2.458 179.315 176.870 -0.021 0.000 1.073 121 L CA 2.872 57.684 54.840 -0.046 0.000 0.753 121 L CB -1.775 40.263 42.059 -0.035 0.000 0.890 121 L HN 0.571 nan 8.230 nan 0.000 0.432 122 G N -1.520 107.276 108.800 -0.008 0.000 2.432 122 G HA2 -0.188 3.772 3.960 0.000 0.000 0.219 122 G HA3 -0.188 3.772 3.960 0.000 0.000 0.219 122 G C 1.563 176.480 174.900 0.029 0.000 1.135 122 G CA 0.751 45.857 45.100 0.010 0.000 0.767 122 G HN 0.672 nan 8.290 nan 0.000 0.550 123 A N 0.557 123.393 122.820 0.026 0.000 1.929 123 A HA 0.097 4.417 4.320 0.000 0.000 0.216 123 A C 2.408 180.046 177.584 0.090 0.000 1.176 123 A CA 1.373 53.443 52.037 0.056 0.000 0.628 123 A CB -0.308 18.720 19.000 0.047 0.000 0.816 123 A HN 0.331 nan 8.150 nan 0.000 0.444 124 R N -1.152 119.369 120.500 0.034 0.000 2.075 124 R HA -0.049 4.291 4.340 0.000 0.000 0.232 124 R C 1.814 178.206 176.300 0.154 0.000 1.126 124 R CA 1.235 57.361 56.100 0.043 0.000 0.963 124 R CB -0.410 29.772 30.300 -0.197 0.000 0.858 124 R HN 0.384 nan 8.270 nan 0.000 0.435 125 L N 0.559 121.832 121.223 0.083 0.000 2.131 125 L HA -0.128 4.212 4.340 0.000 0.000 0.210 125 L C 2.351 179.286 176.870 0.109 0.000 1.092 125 L CA 1.512 56.407 54.840 0.091 0.000 0.759 125 L CB -0.536 41.556 42.059 0.057 0.000 0.903 125 L HN 0.004 nan 8.230 nan 0.000 0.435 126 R N -0.572 119.991 120.500 0.105 0.000 2.092 126 R HA -0.080 4.260 4.340 0.000 0.000 0.231 126 R C 2.107 178.472 176.300 0.108 0.000 1.119 126 R CA 1.458 57.620 56.100 0.103 0.000 0.970 126 R CB -0.853 29.503 30.300 0.093 0.000 0.864 126 R HN 0.178 nan 8.270 nan 0.000 0.440 127 V N 0.971 120.968 119.914 0.138 0.000 2.332 127 V HA -0.223 3.898 4.120 0.000 0.000 0.248 127 V C 2.352 178.476 176.094 0.051 0.000 1.055 127 V CA 1.966 64.325 62.300 0.098 0.000 1.038 127 V CB -1.023 30.889 31.823 0.148 0.000 0.651 127 V HN 0.528 nan 8.190 nan 0.000 0.450 128 A N 0.529 123.406 122.820 0.096 0.000 1.972 128 A HA -0.081 4.239 4.320 0.000 0.000 0.219 128 A C 2.250 179.848 177.584 0.024 0.000 1.169 128 A CA 1.676 53.744 52.037 0.052 0.000 0.635 128 A CB -0.974 18.078 19.000 0.087 0.000 0.810 128 A HN 0.575 nan 8.150 nan 0.000 0.446 129 G N -0.871 107.980 108.800 0.085 0.000 2.776 129 G HA2 -0.073 3.888 3.960 0.000 0.000 0.209 129 G HA3 -0.073 3.888 3.960 0.000 0.000 0.209 129 G C 1.153 176.090 174.900 0.061 0.000 1.145 129 G CA 0.651 45.843 45.100 0.153 0.000 0.791 129 G HN 0.516 nan 8.290 nan 0.000 0.530 130 E N 0.481 120.673 120.200 -0.013 0.000 2.267 130 E HA -0.087 4.263 4.350 0.000 0.000 0.197 130 E C 2.315 178.849 176.600 -0.110 0.000 0.998 130 E CA 0.381 56.762 56.400 -0.032 0.000 0.830 130 E CB -0.140 29.549 29.700 -0.019 0.000 0.751 130 E HN 0.503 nan 8.360 nan 0.000 0.491 131 L N -0.498 120.561 121.223 -0.273 0.000 2.129 131 L HA -0.180 4.160 4.340 0.000 0.000 0.212 131 L C 1.506 178.066 176.870 -0.517 0.000 1.087 131 L CA 1.193 55.739 54.840 -0.490 0.000 0.757 131 L CB -0.261 41.305 42.059 -0.821 0.000 0.896 131 L HN 0.106 nan 8.230 nan 0.000 0.434 132 F N -1.417 118.524 119.950 -0.015 0.000 2.668 132 F HA 0.169 4.696 4.527 0.000 0.000 0.297 132 F C 1.236 177.001 175.800 -0.059 0.000 1.124 132 F CA -0.597 57.387 58.000 -0.027 0.000 1.353 132 F CB -0.238 38.750 39.000 -0.020 0.000 0.992 132 F HN -0.200 nan 8.300 nan 0.000 0.524 133 S N 1.628 117.327 115.700 -0.002 0.000 2.575 133 S HA 0.074 4.544 4.470 0.000 0.000 0.295 133 S C 0.737 175.266 174.600 -0.118 0.000 1.267 133 S CA -0.309 57.807 58.200 -0.140 0.000 1.074 133 S CB 0.191 63.182 63.200 -0.348 0.000 0.829 133 S HN 0.340 nan 8.310 nan 0.000 0.497 134 R N 1.990 122.416 120.500 -0.124 0.000 2.641 134 R HA 0.185 4.525 4.340 0.000 0.000 0.269 134 R C 0.484 176.715 176.300 -0.115 0.000 1.074 134 R CA -0.373 55.677 56.100 -0.083 0.000 1.133 134 R CB 0.423 30.686 30.300 -0.063 0.000 1.029 134 R HN 0.561 nan 8.270 nan 0.000 0.488 135 R N 0.741 121.208 120.500 -0.056 0.000 2.697 135 R HA -0.012 4.328 4.340 0.000 0.000 0.265 135 R C 0.117 176.394 176.300 -0.037 0.000 1.009 135 R CA 0.094 56.174 56.100 -0.034 0.000 1.099 135 R CB 0.258 30.554 30.300 -0.006 0.000 0.965 135 R HN 0.615 nan 8.270 nan 0.000 0.428 136 A N 4.838 127.657 122.820 -0.002 0.000 2.445 136 A HA 0.213 4.533 4.320 0.000 0.000 0.242 136 A C -1.857 175.747 177.584 0.034 0.000 1.075 136 A CA -1.189 50.867 52.037 0.032 0.000 0.777 136 A CB -0.268 18.794 19.000 0.104 0.000 1.013 136 A HN 0.511 nan 8.150 nan 0.000 0.493 137 P HA 0.099 nan 4.420 nan 0.000 0.266 137 P C -0.583 176.742 177.300 0.041 0.000 1.215 137 P CA 0.016 63.138 63.100 0.035 0.000 0.763 137 P CB 0.501 32.225 31.700 0.040 0.000 0.806 138 E N 2.155 122.373 120.200 0.031 0.000 2.366 138 E HA 0.187 4.537 4.350 0.000 0.000 0.266 138 E C 1.455 178.072 176.600 0.029 0.000 1.015 138 E CA 0.529 56.947 56.400 0.030 0.000 0.906 138 E CB 0.042 29.755 29.700 0.022 0.000 0.979 138 E HN 0.796 nan 8.360 nan 0.000 0.443 139 G N 2.236 111.055 108.800 0.031 0.000 2.168 139 G HA2 -0.271 3.689 3.960 0.000 0.000 0.257 139 G HA3 -0.271 3.689 3.960 0.000 0.000 0.257 139 G C 0.172 175.090 174.900 0.030 0.000 0.997 139 G CA 0.354 45.470 45.100 0.028 0.000 0.708 139 G HN 0.363 nan 8.290 nan 0.000 0.520 140 V N 0.456 120.393 119.914 0.038 0.000 2.435 140 V HA 0.466 4.586 4.120 0.000 0.000 0.290 140 V C 0.127 176.251 176.094 0.050 0.000 1.030 140 V CA -0.556 61.769 62.300 0.041 0.000 0.881 140 V CB 1.906 33.755 31.823 0.043 0.000 0.983 140 V HN 0.281 nan 8.190 nan 0.000 0.445 141 D N 4.143 124.569 120.400 0.043 0.000 2.508 141 D HA 0.111 4.751 4.640 0.000 0.000 0.224 141 D C 0.539 176.871 176.300 0.053 0.000 1.171 141 D CA -0.280 53.747 54.000 0.045 0.000 1.006 141 D CB 0.260 41.081 40.800 0.034 0.000 1.073 141 D HN 0.785 nan 8.370 nan 0.000 0.513 142 E N 0.711 120.955 120.200 0.075 0.000 2.373 142 E HA 0.264 4.614 4.350 0.000 0.000 0.263 142 E C 0.001 176.652 176.600 0.086 0.000 1.073 142 E CA -0.866 55.587 56.400 0.089 0.000 0.894 142 E CB 0.674 30.449 29.700 0.125 0.000 1.008 142 E HN 0.261 nan 8.360 nan 0.000 0.420 143 S N 2.905 118.652 115.700 0.079 0.000 2.600 143 S HA 0.012 4.482 4.470 0.000 0.000 0.265 143 S C 1.122 175.784 174.600 0.103 0.000 1.325 143 S CA -0.813 57.427 58.200 0.067 0.000 1.002 143 S CB 0.802 64.034 63.200 0.053 0.000 0.921 143 S HN 0.723 nan 8.310 nan 0.000 0.554 144 L N 1.104 122.372 121.223 0.075 0.000 2.042 144 L HA -0.123 4.217 4.340 0.000 0.000 0.210 144 L C 2.851 179.806 176.870 0.141 0.000 1.076 144 L CA 1.902 56.799 54.840 0.095 0.000 0.749 144 L CB -1.087 41.019 42.059 0.078 0.000 0.893 144 L HN 0.998 nan 8.230 nan 0.000 0.432 145 A N -0.578 122.295 122.820 0.089 0.000 1.930 145 A HA -0.134 4.186 4.320 0.000 0.000 0.217 145 A C 2.423 180.034 177.584 0.045 0.000 1.175 145 A CA 1.490 53.560 52.037 0.056 0.000 0.627 145 A CB -0.590 18.428 19.000 0.030 0.000 0.815 145 A HN 0.506 nan 8.150 nan 0.000 0.443 146 A N -1.051 121.813 122.820 0.073 0.000 1.877 146 A HA -0.052 4.268 4.320 0.000 0.000 0.216 146 A C 2.049 179.696 177.584 0.104 0.000 1.186 146 A CA 1.540 53.615 52.037 0.064 0.000 0.620 146 A CB -0.759 18.287 19.000 0.077 0.000 0.822 146 A HN 0.664 nan 8.150 nan 0.000 0.443 147 F N 1.158 121.128 119.950 0.033 0.000 2.126 147 F HA -0.091 4.436 4.527 0.000 0.000 0.299 147 F C 2.307 178.165 175.800 0.097 0.000 1.096 147 F CA 1.681 59.737 58.000 0.092 0.000 1.255 147 F CB -0.583 38.460 39.000 0.071 0.000 0.997 147 F HN 0.216 nan 8.300 nan 0.000 0.479 148 G N 0.046 108.965 108.800 0.197 0.000 2.421 148 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 148 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 148 G C 1.768 176.642 174.900 -0.045 0.000 1.171 148 G CA 0.762 45.905 45.100 0.071 0.000 0.775 148 G HN 0.323 nan 8.290 nan 0.000 0.543 149 R N -0.333 120.099 120.500 -0.113 0.000 2.096 149 R HA 0.029 4.369 4.340 0.000 0.000 0.235 149 R C 2.660 178.895 176.300 -0.108 0.000 1.127 149 R CA 1.159 57.129 56.100 -0.216 0.000 0.968 149 R CB -0.242 29.814 30.300 -0.407 0.000 0.861 149 R HN 0.252 nan 8.270 nan 0.000 0.440 150 R N -0.388 120.035 120.500 -0.129 0.000 2.062 150 R HA -0.089 4.251 4.340 0.000 0.000 0.229 150 R C 2.034 178.168 176.300 -0.277 0.000 1.128 150 R CA 1.266 57.251 56.100 -0.192 0.000 0.960 150 R CB 0.020 30.172 30.300 -0.248 0.000 0.855 150 R HN 0.368 nan 8.270 nan 0.000 0.432 151 H N -0.712 118.188 119.070 -0.283 0.000 2.306 151 H HA -0.021 4.535 4.556 0.000 0.000 0.307 151 H C 1.747 176.987 175.328 -0.146 0.000 1.061 151 H CA 1.158 57.040 56.048 -0.277 0.000 1.359 151 H CB 0.294 29.761 29.762 -0.492 0.000 1.407 151 H HN 0.108 nan 8.280 nan 0.000 0.517 152 L N -0.392 120.839 121.223 0.014 0.000 2.416 152 L HA 0.209 4.549 4.340 0.000 0.000 0.216 152 L C 1.061 177.960 176.870 0.048 0.000 1.098 152 L CA 1.038 55.890 54.840 0.020 0.000 0.840 152 L CB -0.215 41.851 42.059 0.013 0.000 0.981 152 L HN 0.473 nan 8.230 nan 0.000 0.462 153 G N -1.756 107.072 108.800 0.047 0.000 2.707 153 G HA2 -0.249 3.711 3.960 0.000 0.000 0.686 153 G HA3 -0.249 3.711 3.960 0.000 0.000 0.686 153 G C 0.170 175.139 174.900 0.114 0.000 1.315 153 G CA 0.031 45.202 45.100 0.119 0.000 0.832 153 G HN 0.238 nan 8.290 nan 0.000 0.573 154 H N 0.499 119.588 119.070 0.032 0.000 2.326 154 H HA 0.034 4.590 4.556 0.000 0.000 0.301 154 H C 2.843 178.195 175.328 0.041 0.000 1.081 154 H CA 2.011 58.080 56.048 0.034 0.000 1.334 154 H CB 0.041 29.820 29.762 0.027 0.000 1.385 154 H HN 0.369 nan 8.280 nan 0.000 0.504 155 R N 0.589 121.189 120.500 0.167 0.000 2.073 155 R HA -0.003 4.338 4.340 0.000 0.000 0.234 155 R C 2.418 178.775 176.300 0.096 0.000 1.134 155 R CA 1.137 57.303 56.100 0.110 0.000 0.952 155 R CB -1.109 29.242 30.300 0.086 0.000 0.850 155 R HN 0.392 nan 8.270 nan 0.000 0.433 156 A N 0.085 122.967 122.820 0.103 0.000 1.933 156 A HA -0.179 4.141 4.320 0.000 0.000 0.218 156 A C 2.347 179.970 177.584 0.064 0.000 1.175 156 A CA 2.293 54.390 52.037 0.099 0.000 0.628 156 A CB -0.831 18.230 19.000 0.102 0.000 0.814 156 A HN 0.452 nan 8.150 nan 0.000 0.444 157 T N -2.230 112.351 114.554 0.045 0.000 2.896 157 T HA -0.122 4.229 4.350 0.000 0.000 0.263 157 T C 2.054 176.777 174.700 0.039 0.000 1.050 157 T CA 1.767 63.884 62.100 0.028 0.000 1.140 157 T CB -0.220 68.645 68.868 -0.003 0.000 0.877 157 T HN 0.378 nan 8.240 nan 0.000 0.457 158 Q N 0.444 120.274 119.800 0.049 0.000 2.167 158 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 158 Q C 2.146 178.185 176.000 0.065 0.000 0.970 158 Q CA 1.793 57.632 55.803 0.059 0.000 0.855 158 Q CB -0.243 28.540 28.738 0.075 0.000 0.911 158 Q HN 0.555 nan 8.270 nan 0.000 0.438 159 V N -2.503 117.452 119.914 0.068 0.000 2.911 159 V HA 0.137 4.257 4.120 0.000 0.000 0.237 159 V C 1.632 177.770 176.094 0.074 0.000 1.156 159 V CA 0.503 62.846 62.300 0.072 0.000 1.180 159 V CB -0.120 31.742 31.823 0.066 0.000 0.932 159 V HN 0.294 nan 8.190 nan 0.000 0.483 160 L N -0.404 120.862 121.223 0.071 0.000 2.084 160 L HA 0.092 4.432 4.340 0.000 0.000 0.202 160 L C 2.501 179.394 176.870 0.038 0.000 1.074 160 L CA 1.428 56.306 54.840 0.063 0.000 0.757 160 L CB -0.494 41.609 42.059 0.072 0.000 0.918 160 L HN 0.399 nan 8.230 nan 0.000 0.444 161 L N 0.490 121.728 121.223 0.026 0.000 2.056 161 L HA -0.218 4.122 4.340 0.000 0.000 0.207 161 L C 1.987 178.878 176.870 0.036 0.000 1.078 161 L CA 1.881 56.723 54.840 0.002 0.000 0.749 161 L CB -0.603 41.456 42.059 -0.000 0.000 0.901 161 L HN 0.217 nan 8.230 nan 0.000 0.433 162 D N -0.876 119.556 120.400 0.053 0.000 2.182 162 D HA -0.181 4.460 4.640 0.000 0.000 0.201 162 D C 2.118 178.464 176.300 0.077 0.000 0.986 162 D CA 1.278 55.319 54.000 0.069 0.000 0.847 162 D CB 0.091 40.931 40.800 0.066 0.000 0.942 162 D HN 0.438 nan 8.370 nan 0.000 0.467 163 A N -0.307 122.556 122.820 0.072 0.000 1.873 163 A HA -0.096 4.224 4.320 0.000 0.000 0.215 163 A C 2.505 180.131 177.584 0.070 0.000 1.186 163 A CA 1.533 53.614 52.037 0.072 0.000 0.616 163 A CB -0.856 18.190 19.000 0.076 0.000 0.823 163 A HN 0.184 nan 8.150 nan 0.000 0.442 164 V N 0.534 120.490 119.914 0.070 0.000 2.287 164 V HA -0.313 3.807 4.120 0.000 0.000 0.248 164 V C 2.815 179.010 176.094 0.168 0.000 1.053 164 V CA 2.293 64.650 62.300 0.094 0.000 1.027 164 V CB -0.832 31.021 31.823 0.050 0.000 0.646 164 V HN 0.725 nan 8.190 nan 0.000 0.447 165 Q N 0.203 120.123 119.800 0.201 0.000 2.045 165 Q HA -0.293 4.047 4.340 0.000 0.000 0.206 165 Q C 2.402 178.514 176.000 0.185 0.000 0.991 165 Q CA 2.987 58.957 55.803 0.278 0.000 0.851 165 Q CB -0.837 28.028 28.738 0.211 0.000 0.911 165 Q HN 0.598 nan 8.270 nan 0.000 0.418 166 T N -0.622 113.998 114.554 0.110 0.000 2.915 166 T HA -0.056 4.295 4.350 0.000 0.000 0.269 166 T C 1.643 176.355 174.700 0.020 0.000 1.071 166 T CA 1.554 63.692 62.100 0.064 0.000 1.132 166 T CB -0.508 68.390 68.868 0.050 0.000 0.878 166 T HN 0.538 nan 8.240 nan 0.000 0.479 167 G N 0.375 109.185 108.800 0.017 0.000 2.443 167 G HA2 0.002 3.962 3.960 0.000 0.000 0.219 167 G HA3 0.002 3.962 3.960 0.000 0.000 0.219 167 G C 1.414 176.269 174.900 -0.076 0.000 1.131 167 G CA 0.717 45.805 45.100 -0.021 0.000 0.775 167 G HN 0.587 nan 8.290 nan 0.000 0.547 168 I N -2.086 118.403 120.570 -0.134 0.000 2.899 168 I HA 0.161 4.331 4.170 0.000 0.000 0.257 168 I C 1.868 177.666 176.117 -0.533 0.000 1.115 168 I CA 0.370 61.425 61.300 -0.409 0.000 1.451 168 I CB 0.207 37.807 38.000 -0.667 0.000 1.251 168 I HN 0.072 nan 8.210 nan 0.000 0.456 169 Y N 0.751 120.977 120.300 -0.123 0.000 2.481 169 Y HA 0.506 5.056 4.550 0.000 0.000 0.258 169 Y C 1.416 177.249 175.900 -0.112 0.000 1.103 169 Y CA 0.198 58.196 58.100 -0.170 0.000 1.287 169 Y CB 0.143 38.477 38.460 -0.210 0.000 1.108 169 Y HN 0.123 nan 8.280 nan 0.000 0.529 170 A N 1.087 123.936 122.820 0.049 0.000 2.560 170 A HA -0.055 4.265 4.320 0.000 0.000 0.299 170 A C 0.790 178.403 177.584 0.049 0.000 1.484 170 A CA 0.922 52.980 52.037 0.035 0.000 0.749 170 A CB -1.738 17.267 19.000 0.008 0.000 1.072 170 A HN 0.600 nan 8.150 nan 0.000 0.426 171 G N -1.057 107.784 108.800 0.069 0.000 3.251 171 G HA2 0.587 4.548 3.960 0.000 0.000 0.248 171 G HA3 0.587 4.548 3.960 0.000 0.000 0.248 171 G C -1.068 173.855 174.900 0.039 0.000 1.320 171 G CA 0.268 45.393 45.100 0.042 0.000 0.982 171 G HN 0.420 nan 8.290 nan 0.000 0.575 172 D N -0.155 120.258 120.400 0.022 0.000 2.329 172 D HA 0.235 4.875 4.640 0.000 0.000 0.232 172 D C 1.246 177.561 176.300 0.025 0.000 1.088 172 D CA -0.518 53.498 54.000 0.026 0.000 0.835 172 D CB 1.741 42.554 40.800 0.021 0.000 1.078 172 D HN 0.029 nan 8.370 nan 0.000 0.495 173 V N 4.622 124.560 119.914 0.041 0.000 2.720 173 V HA -0.148 3.972 4.120 0.000 0.000 0.256 173 V C 1.604 177.721 176.094 0.037 0.000 1.082 173 V CA 1.681 64.009 62.300 0.047 0.000 1.101 173 V CB -0.098 31.758 31.823 0.056 0.000 0.693 173 V HN 0.504 nan 8.190 nan 0.000 0.479 174 E N -0.962 119.257 120.200 0.032 0.000 2.299 174 E HA -0.071 4.280 4.350 0.000 0.000 0.193 174 E C 2.059 178.673 176.600 0.024 0.000 0.998 174 E CA 0.494 56.912 56.400 0.030 0.000 0.851 174 E CB -0.000 29.717 29.700 0.030 0.000 0.795 174 E HN 0.606 nan 8.360 nan 0.000 0.492 175 Q N -0.036 119.773 119.800 0.015 0.000 2.373 175 Q HA 0.181 4.521 4.340 0.000 0.000 0.210 175 Q C 0.998 176.992 176.000 -0.011 0.000 0.913 175 Q CA 0.070 55.877 55.803 0.007 0.000 0.911 175 Q CB 0.394 29.136 28.738 0.005 0.000 1.040 175 Q HN 0.243 nan 8.270 nan 0.000 0.521 176 L N 1.832 123.037 121.223 -0.030 0.000 2.410 176 L HA 0.096 4.436 4.340 0.000 0.000 0.273 176 L C 0.641 177.484 176.870 -0.046 0.000 1.152 176 L CA -0.254 54.538 54.840 -0.080 0.000 0.855 176 L CB 0.692 42.665 42.059 -0.144 0.000 1.129 176 L HN -0.036 nan 8.230 nan 0.000 0.463 177 S N 2.449 118.117 115.700 -0.054 0.000 2.488 177 S HA 0.050 4.520 4.470 0.000 0.000 0.278 177 S C 0.896 175.475 174.600 -0.035 0.000 1.259 177 S CA -0.584 57.605 58.200 -0.019 0.000 1.061 177 S CB 1.304 64.506 63.200 0.005 0.000 0.910 177 S HN 0.494 nan 8.310 nan 0.000 0.491 178 V N 5.782 125.683 119.914 -0.022 0.000 2.667 178 V HA 0.011 4.132 4.120 0.000 0.000 0.252 178 V C 2.304 178.360 176.094 -0.063 0.000 1.065 178 V CA 2.365 64.624 62.300 -0.067 0.000 1.083 178 V CB -0.961 30.707 31.823 -0.258 0.000 0.692 178 V HN 1.008 nan 8.190 nan 0.000 0.468 179 A N -0.262 122.541 122.820 -0.028 0.000 1.930 179 A HA 0.075 4.395 4.320 0.000 0.000 0.217 179 A C 2.334 179.926 177.584 0.014 0.000 1.175 179 A CA 1.827 53.863 52.037 -0.002 0.000 0.627 179 A CB -0.704 18.308 19.000 0.021 0.000 0.815 179 A HN 0.766 nan 8.150 nan 0.000 0.443 180 A N -0.619 122.212 122.820 0.019 0.000 1.975 180 A HA 0.056 4.376 4.320 0.000 0.000 0.215 180 A C 2.312 179.921 177.584 0.042 0.000 1.170 180 A CA 2.037 54.115 52.037 0.068 0.000 0.656 180 A CB -0.794 18.258 19.000 0.086 0.000 0.821 180 A HN 0.643 nan 8.150 nan 0.000 0.449 181 T N -4.520 109.955 114.554 -0.132 0.000 3.031 181 T HA 0.260 4.610 4.350 0.000 0.000 0.254 181 T C 0.241 174.582 174.700 -0.599 0.000 1.060 181 T CA 0.349 62.188 62.100 -0.434 0.000 1.135 181 T CB -0.228 68.234 68.868 -0.678 0.000 0.896 181 T HN 0.171 nan 8.240 nan 0.000 0.472 182 F N 1.566 121.473 119.950 -0.071 0.000 2.646 182 F HA 0.441 4.969 4.527 0.000 0.000 0.336 182 F C -2.259 173.482 175.800 -0.098 0.000 1.437 182 F CA -2.396 55.553 58.000 -0.086 0.000 1.142 182 F CB 1.797 40.698 39.000 -0.164 0.000 1.530 182 F HN -0.039 nan 8.300 nan 0.000 0.591 183 P HA -0.177 nan 4.420 nan 0.000 0.218 183 P C 1.874 179.201 177.300 0.046 0.000 1.148 183 P CA 1.431 64.555 63.100 0.040 0.000 0.822 183 P CB 0.189 31.911 31.700 0.037 0.000 0.784 184 M N -2.091 117.546 119.600 0.061 0.000 2.319 184 M HA -0.023 4.457 4.480 0.000 0.000 0.265 184 M C 1.733 178.062 176.300 0.048 0.000 1.068 184 M CA 1.094 56.427 55.300 0.055 0.000 1.118 184 M CB -1.519 31.114 32.600 0.056 0.000 1.395 184 M HN -0.013 nan 8.290 nan 0.000 0.435 185 L N -0.558 120.683 121.223 0.030 0.000 2.109 185 L HA -0.065 4.275 4.340 0.000 0.000 0.207 185 L C 2.493 179.384 176.870 0.034 0.000 1.086 185 L CA 1.149 55.983 54.840 -0.010 0.000 0.760 185 L CB -1.092 40.867 42.059 -0.166 0.000 0.910 185 L HN 0.035 nan 8.230 nan 0.000 0.437 186 V N -0.628 119.285 119.914 -0.002 0.000 2.427 186 V HA -0.256 3.864 4.120 0.000 0.000 0.248 186 V C 2.583 178.734 176.094 0.095 0.000 1.051 186 V CA 1.468 63.810 62.300 0.069 0.000 1.048 186 V CB -0.513 31.326 31.823 0.027 0.000 0.666 186 V HN 0.446 nan 8.190 nan 0.000 0.456 187 K N -0.514 119.927 120.400 0.069 0.000 2.026 187 K HA -0.155 4.165 4.320 0.000 0.000 0.208 187 K C 2.302 178.955 176.600 0.089 0.000 1.048 187 K CA 1.500 57.827 56.287 0.067 0.000 0.929 187 K CB -0.161 32.372 32.500 0.055 0.000 0.713 187 K HN 0.273 nan 8.250 nan 0.000 0.439 188 M N 0.949 120.612 119.600 0.104 0.000 2.082 188 M HA -0.226 4.254 4.480 0.000 0.000 0.258 188 M C 2.189 178.590 176.300 0.168 0.000 1.069 188 M CA 1.759 57.146 55.300 0.144 0.000 1.102 188 M CB -0.634 32.026 32.600 0.099 0.000 1.336 188 M HN 0.314 nan 8.290 nan 0.000 0.404 189 E N 0.138 120.438 120.200 0.166 0.000 2.077 189 E HA -0.284 4.066 4.350 0.000 0.000 0.193 189 E C 1.992 178.681 176.600 0.147 0.000 0.989 189 E CA 1.616 58.138 56.400 0.203 0.000 0.800 189 E CB -0.052 29.837 29.700 0.315 0.000 0.746 189 E HN 0.281 nan 8.360 nan 0.000 0.452 190 R N 0.973 121.540 120.500 0.112 0.000 2.081 190 R HA -0.144 4.196 4.340 0.000 0.000 0.235 190 R C 1.844 178.147 176.300 0.005 0.000 1.131 190 R CA 2.166 58.303 56.100 0.061 0.000 0.960 190 R CB -0.145 30.185 30.300 0.050 0.000 0.856 190 R HN 0.270 nan 8.270 nan 0.000 0.436 191 E N -1.569 118.617 120.200 -0.023 0.000 2.170 191 E HA -0.056 4.294 4.350 0.000 0.000 0.191 191 E C 1.011 177.364 176.600 -0.412 0.000 0.981 191 E CA 0.850 57.123 56.400 -0.211 0.000 0.830 191 E CB 0.213 29.782 29.700 -0.219 0.000 0.775 191 E HN 0.553 nan 8.360 nan 0.000 0.470 192 H N -1.376 117.716 119.070 0.037 0.000 3.360 192 H HA 0.280 4.836 4.556 0.000 0.000 0.262 192 H C 1.054 176.403 175.328 0.034 0.000 1.149 192 H CA 0.394 56.458 56.048 0.027 0.000 1.181 192 H CB 1.191 30.963 29.762 0.017 0.000 1.564 192 H HN 0.062 nan 8.280 nan 0.000 0.565 193 R N 0.558 121.142 120.500 0.140 0.000 1.196 193 R HA -0.223 4.118 4.340 0.000 0.000 0.018 193 R C 0.481 176.882 176.300 0.167 0.000 0.961 193 R CA 1.565 57.737 56.100 0.120 0.000 1.985 193 R CB -1.380 28.958 30.300 0.064 0.000 0.134 193 R HN 0.191 nan 8.270 nan 0.000 0.731 194 S N 0.225 115.995 115.700 0.117 0.000 2.537 194 S HA 0.425 4.895 4.470 0.000 0.000 0.275 194 S C 1.434 176.073 174.600 0.065 0.000 1.272 194 S CA -0.391 57.862 58.200 0.088 0.000 1.050 194 S CB 1.263 64.454 63.200 -0.015 0.000 0.961 194 S HN 0.345 nan 8.310 nan 0.000 0.496 195 L N 4.819 126.059 121.223 0.028 0.000 2.109 195 L HA 0.002 4.342 4.340 0.000 0.000 0.207 195 L C 2.088 178.917 176.870 -0.069 0.000 1.086 195 L CA 0.929 55.748 54.840 -0.036 0.000 0.760 195 L CB -0.410 41.594 42.059 -0.093 0.000 0.910 195 L HN 0.721 nan 8.230 nan 0.000 0.437 196 I N -0.271 120.253 120.570 -0.077 0.000 2.226 196 I HA -0.320 3.850 4.170 0.000 0.000 0.245 196 I C 2.495 178.547 176.117 -0.109 0.000 1.100 196 I CA 1.367 62.608 61.300 -0.100 0.000 1.374 196 I CB -0.235 37.698 38.000 -0.111 0.000 1.057 196 I HN 0.215 nan 8.210 nan 0.000 0.413 197 L N 0.501 121.663 121.223 -0.102 0.000 2.012 197 L HA -0.191 4.149 4.340 0.000 0.000 0.210 197 L C 2.627 179.375 176.870 -0.204 0.000 1.073 197 L CA 1.811 56.586 54.840 -0.109 0.000 0.748 197 L CB -0.939 41.090 42.059 -0.049 0.000 0.891 197 L HN 0.338 nan 8.230 nan 0.000 0.431 198 G N -1.124 107.528 108.800 -0.247 0.000 2.422 198 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 198 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 198 G C 1.694 176.400 174.900 -0.323 0.000 1.146 198 G CA 0.748 45.541 45.100 -0.511 0.000 0.769 198 G HN 0.505 nan 8.290 nan 0.000 0.547 199 A N 0.786 123.497 122.820 -0.181 0.000 1.898 199 A HA 0.083 4.403 4.320 0.000 0.000 0.216 199 A C 2.382 179.894 177.584 -0.120 0.000 1.181 199 A CA 1.194 53.155 52.037 -0.127 0.000 0.620 199 A CB -0.342 18.599 19.000 -0.099 0.000 0.819 199 A HN 0.361 nan 8.150 nan 0.000 0.442 200 I N -0.955 119.541 120.570 -0.123 0.000 2.226 200 I HA -0.270 3.900 4.170 0.000 0.000 0.245 200 I C 2.774 178.831 176.117 -0.099 0.000 1.100 200 I CA 1.453 62.695 61.300 -0.096 0.000 1.374 200 I CB -0.258 37.691 38.000 -0.085 0.000 1.057 200 I HN 0.268 nan 8.210 nan 0.000 0.413 201 R N 0.391 120.801 120.500 -0.151 0.000 2.093 201 R HA 0.015 4.355 4.340 0.000 0.000 0.224 201 R C 2.393 178.633 176.300 -0.100 0.000 1.101 201 R CA 1.172 57.194 56.100 -0.131 0.000 0.979 201 R CB -0.304 29.880 30.300 -0.195 0.000 0.877 201 R HN 0.323 nan 8.270 nan 0.000 0.441 202 A N 0.649 123.392 122.820 -0.128 0.000 1.968 202 A HA -0.173 4.147 4.320 0.000 0.000 0.217 202 A C 2.018 179.575 177.584 -0.046 0.000 1.169 202 A CA 0.920 52.916 52.037 -0.069 0.000 0.638 202 A CB -0.297 18.662 19.000 -0.069 0.000 0.812 202 A HN 0.312 nan 8.150 nan 0.000 0.446 203 Q N -0.215 119.553 119.800 -0.054 0.000 2.124 203 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 203 Q C 2.107 178.090 176.000 -0.029 0.000 0.977 203 Q CA 1.770 57.549 55.803 -0.039 0.000 0.850 203 Q CB -0.116 28.595 28.738 -0.044 0.000 0.901 203 Q HN 0.660 nan 8.270 nan 0.000 0.429 204 K N -0.586 119.795 120.400 -0.031 0.000 2.155 204 K HA -0.081 4.239 4.320 0.000 0.000 0.203 204 K C 1.840 178.434 176.600 -0.010 0.000 1.052 204 K CA 0.899 57.175 56.287 -0.019 0.000 0.948 204 K CB -0.050 32.439 32.500 -0.018 0.000 0.728 204 K HN 0.246 nan 8.250 nan 0.000 0.448 205 A N 0.814 123.628 122.820 -0.010 0.000 1.898 205 A HA -0.177 4.144 4.320 0.000 0.000 0.216 205 A C 2.077 179.661 177.584 0.000 0.000 1.181 205 A CA 1.748 53.786 52.037 0.001 0.000 0.620 205 A CB -0.632 18.373 19.000 0.008 0.000 0.819 205 A HN 0.480 nan 8.150 nan 0.000 0.442 206 Q N -1.194 118.603 119.800 -0.005 0.000 2.245 206 Q HA -0.065 4.275 4.340 0.000 0.000 0.201 206 Q C 2.028 178.025 176.000 -0.005 0.000 0.955 206 Q CA 1.297 57.098 55.803 -0.004 0.000 0.870 206 Q CB -1.291 27.443 28.738 -0.007 0.000 0.945 206 Q HN 0.670 nan 8.270 nan 0.000 0.461 207 R N 0.445 120.941 120.500 -0.007 0.000 2.237 207 R HA 0.057 4.397 4.340 0.000 0.000 0.219 207 R C 1.044 177.342 176.300 -0.003 0.000 1.080 207 R CA 1.501 57.597 56.100 -0.006 0.000 0.995 207 R CB -0.928 29.366 30.300 -0.009 0.000 0.875 207 R HN 0.863 nan 8.270 nan 0.000 0.462 208 Q N 0.138 119.937 119.800 -0.001 0.000 2.715 208 Q HA 0.542 4.882 4.340 0.000 0.000 0.399 208 Q C 0.107 176.109 176.000 0.002 0.000 1.017 208 Q CA 0.276 56.079 55.803 0.001 0.000 1.077 208 Q CB 0.976 29.715 28.738 0.002 0.000 1.350 208 Q HN 0.586 nan 8.270 nan 0.000 0.421 215 T N -4.034 110.523 114.554 0.004 0.000 3.819 215 T HA 0.542 4.892 4.350 0.000 0.000 0.153 215 T C -0.009 174.694 174.700 0.006 0.000 0.487 215 T CA 0.925 63.028 62.100 0.005 0.000 0.887 215 T CB -1.494 67.377 68.868 0.005 0.000 1.406 215 T HN 2.987 nan 8.240 nan 0.000 0.525 216 A N 0.995 123.819 122.820 0.006 0.000 2.442 216 A HA 0.486 4.806 4.320 0.000 0.000 0.685 216 A C -2.743 174.845 177.584 0.007 0.000 0.153 216 A CA -0.471 51.571 52.037 0.008 0.000 0.041 216 A CB -1.625 17.381 19.000 0.010 0.000 3.967 216 A HN 1.115 nan 8.150 nan 0.000 0.548 217 P HA 0.740 nan 4.420 nan 0.000 0.341 217 P C -1.115 176.188 177.300 0.005 0.000 1.255 217 P CA -0.464 62.639 63.100 0.005 0.000 0.790 217 P CB 0.939 32.642 31.700 0.005 0.000 1.437 218 K N 0.076 120.477 120.400 0.002 0.000 2.292 218 K HA 0.480 4.801 4.320 0.000 0.000 0.257 218 K C -0.519 176.079 176.600 -0.003 0.000 0.940 218 K CA -0.630 55.657 56.287 -0.000 0.000 0.811 218 K CB 0.762 33.260 32.500 -0.003 0.000 1.120 218 K HN 0.312 nan 8.250 nan 0.000 0.428 219 L N 3.199 124.421 121.223 -0.002 0.000 2.349 219 L HA 0.111 4.451 4.340 0.000 0.000 0.275 219 L C 1.604 178.463 176.870 -0.018 0.000 1.115 219 L CA -0.235 54.602 54.840 -0.006 0.000 0.820 219 L CB 1.429 43.490 42.059 0.003 0.000 1.135 219 L HN 0.828 nan 8.230 nan 0.000 0.445 220 S N 0.960 116.642 115.700 -0.031 0.000 2.414 220 S HA 0.009 4.480 4.470 0.000 0.000 0.227 220 S C 1.456 176.024 174.600 -0.053 0.000 1.022 220 S CA 0.427 58.601 58.200 -0.043 0.000 0.958 220 S CB -0.077 63.092 63.200 -0.052 0.000 0.797 220 S HN 1.092 nan 8.310 nan 0.000 0.493 221 G N 1.192 109.954 108.800 -0.063 0.000 2.143 221 G HA2 -0.087 3.873 3.960 0.000 0.000 0.249 221 G HA3 -0.087 3.873 3.960 0.000 0.000 0.249 221 G C 0.227 175.059 174.900 -0.114 0.000 0.981 221 G CA 0.113 45.169 45.100 -0.074 0.000 0.665 221 G HN 1.288 nan 8.290 nan 0.000 0.528 222 A N -0.363 122.377 122.820 -0.134 0.000 2.407 222 A HA 0.669 4.989 4.320 0.000 0.000 0.248 222 A C 0.666 178.106 177.584 -0.240 0.000 1.082 222 A CA 0.071 52.011 52.037 -0.162 0.000 0.785 222 A CB 0.587 19.509 19.000 -0.130 0.000 1.020 222 A HN 1.454 nan 8.150 nan 0.000 0.489 223 L N 2.633 123.705 121.223 -0.251 0.000 2.565 223 L HA 0.237 4.577 4.340 0.000 0.000 0.275 223 L C 0.134 176.887 176.870 -0.195 0.000 1.137 223 L CA 0.844 55.507 54.840 -0.295 0.000 0.915 223 L CB -0.057 41.735 42.059 -0.446 0.000 1.232 223 L HN 0.652 nan 8.230 nan 0.000 0.473 224 S N 2.666 118.101 115.700 -0.442 0.000 2.638 224 S HA 0.783 5.253 4.470 0.000 0.000 0.302 224 S C -0.278 173.951 174.600 -0.617 0.000 1.096 224 S CA -0.532 57.329 58.200 -0.565 0.000 0.953 224 S CB 2.067 64.721 63.200 -0.911 0.000 1.107 224 S HN 0.729 nan 8.310 nan 0.000 0.503 225 T N -0.184 114.045 114.554 -0.540 0.000 2.587 225 T HA 0.744 5.094 4.350 0.000 0.000 0.282 225 T C -1.795 172.647 174.700 -0.431 0.000 1.018 225 T CA -0.460 61.425 62.100 -0.358 0.000 1.120 225 T CB 0.076 68.612 68.868 -0.552 0.000 1.538 225 T HN 0.345 nan 8.240 nan 0.000 0.480 226 F N 1.221 121.176 119.950 0.009 0.000 2.575 226 F HA 0.361 4.888 4.527 0.000 0.000 0.330 226 F C 1.813 177.581 175.800 -0.054 0.000 1.056 226 F CA -0.595 57.392 58.000 -0.021 0.000 0.964 226 F CB 1.226 40.221 39.000 -0.009 0.000 1.258 226 F HN 0.749 nan 8.300 nan 0.000 0.484 227 D N 0.075 120.490 120.400 0.025 0.000 2.182 227 D HA -0.116 4.525 4.640 0.000 0.000 0.201 227 D C 1.346 177.680 176.300 0.058 0.000 0.986 227 D CA 1.337 55.193 54.000 -0.240 0.000 0.847 227 D CB -0.337 40.318 40.800 -0.242 0.000 0.942 227 D HN 0.664 nan 8.370 nan 0.000 0.467 228 G N -0.355 108.516 108.800 0.119 0.000 3.820 228 G HA2 0.480 4.440 3.960 0.000 0.000 0.293 228 G HA3 0.480 4.440 3.960 0.000 0.000 0.293 228 G C 0.730 175.716 174.900 0.143 0.000 1.152 228 G CA 0.140 45.317 45.100 0.128 0.000 0.921 228 G HN 0.667 nan 8.290 nan 0.000 0.544 229 G N -0.233 108.696 108.800 0.215 0.000 2.760 229 G HA2 -0.230 3.730 3.960 0.000 0.000 0.246 229 G HA3 -0.230 3.730 3.960 0.000 0.000 0.246 229 G C 0.727 175.745 174.900 0.198 0.000 1.359 229 G CA -0.269 44.934 45.100 0.172 0.000 0.861 229 G HN 0.460 nan 8.290 nan 0.000 0.541 230 L N -0.010 121.316 121.223 0.171 0.000 2.465 230 L HA 0.006 4.346 4.340 0.000 0.000 0.224 230 L C 2.833 179.710 176.870 0.012 0.000 1.145 230 L CA 1.508 56.457 54.840 0.182 0.000 0.834 230 L CB -0.233 41.916 42.059 0.151 0.000 0.944 230 L HN 0.660 nan 8.230 nan 0.000 0.451 231 Q N 0.173 119.961 119.800 -0.019 0.000 2.226 231 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 231 Q C 2.088 178.009 176.000 -0.132 0.000 0.975 231 Q CA 1.449 57.205 55.803 -0.078 0.000 0.866 231 Q CB -0.192 28.500 28.738 -0.077 0.000 0.915 231 Q HN 0.319 nan 8.270 nan 0.000 0.440 232 V N 0.381 120.198 119.914 -0.160 0.000 2.332 232 V HA -0.265 3.855 4.120 0.000 0.000 0.248 232 V C 2.166 177.998 176.094 -0.437 0.000 1.055 232 V CA 1.698 63.833 62.300 -0.276 0.000 1.038 232 V CB -0.719 30.932 31.823 -0.287 0.000 0.651 232 V HN 0.435 nan 8.190 nan 0.000 0.450 233 L N -0.291 120.578 121.223 -0.589 0.000 2.046 233 L HA -0.110 4.231 4.340 0.000 0.000 0.208 233 L C 2.108 178.796 176.870 -0.303 0.000 1.077 233 L CA 1.902 56.409 54.840 -0.555 0.000 0.747 233 L CB -0.416 41.353 42.059 -0.484 0.000 0.896 233 L HN 0.221 nan 8.230 nan 0.000 0.432 234 I N -0.626 119.817 120.570 -0.212 0.000 2.286 234 I HA -0.208 3.962 4.170 0.000 0.000 0.245 234 I C 1.927 177.970 176.117 -0.124 0.000 1.104 234 I CA 0.996 62.212 61.300 -0.141 0.000 1.397 234 I CB -0.474 37.468 38.000 -0.098 0.000 1.072 234 I HN 0.221 nan 8.210 nan 0.000 0.417 235 D N 1.222 121.544 120.400 -0.129 0.000 2.149 235 D HA -0.170 4.470 4.640 0.000 0.000 0.198 235 D C 2.218 178.452 176.300 -0.111 0.000 0.990 235 D CA 1.556 55.493 54.000 -0.105 0.000 0.839 235 D CB -0.165 40.576 40.800 -0.099 0.000 0.948 235 D HN 0.356 nan 8.370 nan 0.000 0.460 236 A N 0.323 123.051 122.820 -0.155 0.000 1.968 236 A HA -0.086 4.234 4.320 0.000 0.000 0.217 236 A C 2.031 179.535 177.584 -0.132 0.000 1.169 236 A CA 0.643 52.590 52.037 -0.151 0.000 0.638 236 A CB -0.297 18.577 19.000 -0.210 0.000 0.812 236 A HN 0.118 nan 8.150 nan 0.000 0.446 237 L N -0.571 120.564 121.223 -0.147 0.000 2.044 237 L HA -0.027 4.314 4.340 0.000 0.000 0.205 237 L C 2.968 179.809 176.870 -0.048 0.000 1.075 237 L CA 1.881 56.653 54.840 -0.113 0.000 0.747 237 L CB -1.619 40.367 42.059 -0.122 0.000 0.903 237 L HN 0.412 nan 8.230 nan 0.000 0.435 238 A N -0.296 122.491 122.820 -0.054 0.000 1.883 238 A HA -0.203 4.117 4.320 0.000 0.000 0.217 238 A C 2.485 180.051 177.584 -0.031 0.000 1.186 238 A CA 2.124 54.139 52.037 -0.037 0.000 0.624 238 A CB -0.825 18.151 19.000 -0.041 0.000 0.822 238 A HN 0.408 nan 8.150 nan 0.000 0.444 239 A N -1.011 121.787 122.820 -0.037 0.000 1.902 239 A HA -0.095 4.225 4.320 0.000 0.000 0.217 239 A C 2.487 180.064 177.584 -0.012 0.000 1.181 239 A CA 2.185 54.205 52.037 -0.029 0.000 0.623 239 A CB -0.927 18.051 19.000 -0.036 0.000 0.818 239 A HN 0.612 nan 8.150 nan 0.000 0.443 240 S N -0.860 114.844 115.700 0.005 0.000 2.402 240 S HA -0.036 4.435 4.470 0.000 0.000 0.229 240 S C 1.812 176.440 174.600 0.046 0.000 1.021 240 S CA 1.341 59.572 58.200 0.052 0.000 0.974 240 S CB -0.396 62.893 63.200 0.149 0.000 0.800 240 S HN 0.480 nan 8.310 nan 0.000 0.484 241 L N 0.241 121.484 121.223 0.033 0.000 2.202 241 L HA 0.270 4.610 4.340 0.000 0.000 0.205 241 L C 2.085 178.943 176.870 -0.020 0.000 1.083 241 L CA 0.450 55.298 54.840 0.013 0.000 0.790 241 L CB -1.113 40.956 42.059 0.017 0.000 0.942 241 L HN 0.543 nan 8.230 nan 0.000 0.452 242 G N 0.720 109.502 108.800 -0.030 0.000 2.629 242 G HA2 -0.426 3.534 3.960 0.000 0.000 0.313 242 G HA3 -0.426 3.534 3.960 0.000 0.000 0.313 242 G C 0.596 175.445 174.900 -0.085 0.000 1.217 242 G CA 0.639 45.711 45.100 -0.047 0.000 0.994 242 G HN 0.276 nan 8.290 nan 0.000 0.549 243 D N 1.428 121.775 120.400 -0.089 0.000 2.310 243 D HA 0.232 4.872 4.640 0.000 0.000 0.212 243 D C 2.600 178.769 176.300 -0.219 0.000 0.965 243 D CA 1.522 55.433 54.000 -0.148 0.000 0.879 243 D CB -0.555 40.198 40.800 -0.079 0.000 0.921 243 D HN 0.731 nan 8.370 nan 0.000 0.510 244 A N 0.180 122.933 122.820 -0.112 0.000 2.119 244 A HA 0.244 4.564 4.320 0.000 0.000 0.217 244 A C 1.302 178.852 177.584 -0.056 0.000 1.153 244 A CA 0.786 52.794 52.037 -0.048 0.000 0.692 244 A CB 0.026 19.025 19.000 -0.002 0.000 0.799 244 A HN 0.152 nan 8.150 nan 0.000 0.458 245 A N 1.035 123.776 122.820 -0.131 0.000 2.341 245 A HA 0.531 4.851 4.320 0.000 0.000 0.326 245 A C -0.507 176.984 177.584 -0.155 0.000 1.402 245 A CA -0.537 51.456 52.037 -0.074 0.000 0.957 245 A CB -0.130 18.849 19.000 -0.036 0.000 1.151 245 A HN 0.476 nan 8.150 nan 0.000 0.533 246 H N 1.813 120.889 119.070 0.010 0.000 2.562 246 H HA 0.329 4.885 4.556 0.000 0.000 0.314 246 H C -0.489 174.836 175.328 -0.005 0.000 1.079 246 H CA -0.090 55.962 56.048 0.006 0.000 1.349 246 H CB 1.659 31.424 29.762 0.005 0.000 1.432 246 H HN 0.350 nan 8.280 nan 0.000 0.479 247 V N 1.772 121.733 119.914 0.078 0.000 2.612 247 V HA 0.314 4.434 4.120 0.000 0.000 0.301 247 V C 0.850 176.949 176.094 0.008 0.000 1.046 247 V CA 0.424 62.747 62.300 0.038 0.000 0.946 247 V CB 1.629 33.465 31.823 0.022 0.000 1.003 247 V HN 1.150 nan 8.190 nan 0.000 0.459 248 G N 4.279 113.077 108.800 -0.003 0.000 2.295 248 G HA2 -0.011 3.949 3.960 0.000 0.000 0.287 248 G HA3 -0.011 3.949 3.960 0.000 0.000 0.287 248 G C 0.109 174.970 174.900 -0.066 0.000 1.055 248 G CA 0.267 45.344 45.100 -0.038 0.000 0.922 248 G HN 1.648 nan 8.290 nan 0.000 0.503 249 A N 0.162 122.965 122.820 -0.027 0.000 2.483 249 A HA 0.764 5.084 4.320 0.000 0.000 0.308 249 A C 0.249 177.821 177.584 -0.020 0.000 1.291 249 A CA -0.290 51.725 52.037 -0.036 0.000 0.774 249 A CB 0.619 19.606 19.000 -0.022 0.000 1.134 249 A HN 0.688 nan 8.150 nan 0.000 0.471 250 R N 2.529 123.016 120.500 -0.023 0.000 2.221 250 R HA 0.502 4.842 4.340 0.000 0.000 0.327 250 R C -1.033 175.256 176.300 -0.018 0.000 1.033 250 R CA -0.240 55.852 56.100 -0.014 0.000 0.887 250 R CB 0.777 31.072 30.300 -0.009 0.000 1.057 250 R HN 0.393 nan 8.270 nan 0.000 0.455 251 V N 5.795 125.698 119.914 -0.019 0.000 2.455 251 V HA 0.084 4.204 4.120 0.000 0.000 0.273 251 V C 0.719 176.802 176.094 -0.019 0.000 1.045 251 V CA 0.053 62.341 62.300 -0.020 0.000 0.976 251 V CB 1.126 32.935 31.823 -0.023 0.000 0.993 251 V HN 0.951 nan 8.190 nan 0.000 0.475 252 E N 3.588 123.781 120.200 -0.012 0.000 2.887 252 E HA 0.519 4.869 4.350 0.000 0.000 0.206 252 E C 0.315 176.914 176.600 -0.002 0.000 0.983 252 E CA -0.168 56.227 56.400 -0.009 0.000 1.141 252 E CB 1.256 30.953 29.700 -0.004 0.000 1.061 252 E HN 0.737 nan 8.360 nan 0.000 0.468 253 G N 1.341 110.142 108.800 0.001 0.000 2.498 253 G HA2 0.439 4.399 3.960 0.000 0.000 0.301 253 G HA3 0.439 4.399 3.960 0.000 0.000 0.301 253 G C -1.726 173.191 174.900 0.029 0.000 1.577 253 G CA -0.881 44.228 45.100 0.015 0.000 0.868 253 G HN 0.216 nan 8.290 nan 0.000 0.599 254 L N -0.938 120.315 121.223 0.050 0.000 2.505 254 L HA 1.045 5.386 4.340 0.000 0.000 0.259 254 L C -0.263 176.722 176.870 0.193 0.000 0.952 254 L CA -0.930 53.974 54.840 0.107 0.000 0.840 254 L CB 1.621 43.711 42.059 0.051 0.000 1.358 254 L HN 1.706 nan 8.230 nan 0.000 0.409 255 A N 1.710 124.697 122.820 0.277 0.000 2.593 255 A HA 0.880 5.201 4.320 0.000 0.000 0.290 255 A C -0.673 177.023 177.584 0.186 0.000 1.126 255 A CA -1.009 51.182 52.037 0.256 0.000 0.695 255 A CB 1.517 20.581 19.000 0.107 0.000 1.290 255 A HN 0.802 nan 8.150 nan 0.000 0.414 256 R N 0.252 120.688 120.500 -0.106 0.000 2.726 256 R HA 0.479 4.819 4.340 0.000 0.000 0.272 256 R C -0.621 175.504 176.300 -0.293 0.000 1.097 256 R CA 0.397 56.184 56.100 -0.522 0.000 1.198 256 R CB 0.268 30.255 30.300 -0.522 0.000 1.114 256 R HN 0.842 nan 8.270 nan 0.000 0.550 257 E N 0.258 120.249 120.200 -0.348 0.000 2.667 257 E HA 0.026 4.376 4.350 0.000 0.000 0.386 257 E C -1.626 174.858 176.600 -0.194 0.000 1.000 257 E CA -0.628 55.655 56.400 -0.194 0.000 0.722 257 E CB 0.068 29.701 29.700 -0.112 0.000 1.529 257 E HN 0.579 nan 8.360 nan 0.000 0.390 258 D N 2.408 122.703 120.400 -0.175 0.000 3.038 258 D HA -0.187 4.453 4.640 0.000 0.000 0.229 258 D C 0.874 177.070 176.300 -0.173 0.000 1.182 258 D CA 1.904 55.820 54.000 -0.140 0.000 0.852 258 D CB -1.338 39.408 40.800 -0.090 0.000 0.932 258 D HN 1.211 nan 8.370 nan 0.000 0.406 259 G N 0.628 109.289 108.800 -0.233 0.000 2.578 259 G HA2 0.159 4.119 3.960 0.000 0.000 0.284 259 G HA3 0.159 4.119 3.960 0.000 0.000 0.284 259 G C 0.790 175.460 174.900 -0.384 0.000 1.283 259 G CA 1.228 46.167 45.100 -0.270 0.000 0.944 259 G HN 1.736 nan 8.290 nan 0.000 0.558 260 G N -2.888 105.742 108.800 -0.282 0.000 2.907 260 G HA2 0.150 4.110 3.960 0.000 0.000 0.242 260 G HA3 0.150 4.110 3.960 0.000 0.000 0.242 260 G C -0.257 174.307 174.900 -0.560 0.000 1.448 260 G CA 0.830 45.804 45.100 -0.210 0.000 0.911 260 G HN 1.982 nan 8.290 nan 0.000 0.553 261 W N -1.439 119.861 121.300 0.001 0.000 3.479 261 W HA 0.647 5.307 4.660 0.000 0.000 0.304 261 W C 0.041 176.558 176.519 -0.002 0.000 1.243 261 W CA -0.961 56.383 57.345 -0.002 0.000 1.202 261 W CB 1.814 31.274 29.460 -0.000 0.000 1.346 261 W HN 0.653 nan 8.180 nan 0.000 0.539 262 R N 2.706 123.355 120.500 0.249 0.000 2.360 262 R HA 0.644 4.984 4.340 0.000 0.000 0.318 262 R C -1.524 174.853 176.300 0.128 0.000 0.950 262 R CA -0.729 55.453 56.100 0.137 0.000 0.837 262 R CB 0.815 31.161 30.300 0.075 0.000 1.165 262 R HN 0.531 nan 8.270 nan 0.000 0.458 263 L N 5.410 126.685 121.223 0.087 0.000 2.289 263 L HA 0.392 4.733 4.340 0.000 0.000 0.285 263 L C -0.224 176.664 176.870 0.029 0.000 1.049 263 L CA -0.405 54.465 54.840 0.051 0.000 0.804 263 L CB 1.507 43.583 42.059 0.027 0.000 1.195 263 L HN 0.481 nan 8.230 nan 0.000 0.428 264 I N 5.119 125.703 120.570 0.022 0.000 2.297 264 I HA 0.356 4.526 4.170 0.000 0.000 0.291 264 I C -0.011 176.106 176.117 -0.000 0.000 1.033 264 I CA -0.212 61.095 61.300 0.012 0.000 1.253 264 I CB 0.539 38.548 38.000 0.015 0.000 1.396 264 I HN 0.441 nan 8.210 nan 0.000 0.476 265 I N 5.292 125.857 120.570 -0.009 0.000 2.474 265 I HA 0.332 4.502 4.170 0.000 0.000 0.294 265 I C 0.378 176.485 176.117 -0.017 0.000 1.005 265 I CA -0.561 60.727 61.300 -0.021 0.000 1.113 265 I CB 2.273 40.247 38.000 -0.044 0.000 1.289 265 I HN 0.478 nan 8.210 nan 0.000 0.436 266 E N 6.265 126.454 120.200 -0.019 0.000 2.114 266 E HA 0.276 4.626 4.350 0.000 0.000 0.266 266 E C -0.482 176.095 176.600 -0.038 0.000 0.896 266 E CA -0.105 56.286 56.400 -0.015 0.000 0.750 266 E CB 1.330 31.026 29.700 -0.008 0.000 1.121 266 E HN 0.652 nan 8.360 nan 0.000 0.413 267 E N 2.251 122.425 120.200 -0.043 0.000 3.172 267 E HA 0.061 4.411 4.350 0.000 0.000 0.339 267 E C -0.116 176.384 176.600 -0.167 0.000 0.677 267 E CA -0.183 56.135 56.400 -0.136 0.000 1.512 267 E CB -0.003 29.620 29.700 -0.129 0.000 2.231 267 E HN 0.523 nan 8.360 nan 0.000 0.534 268 H N 0.114 119.195 119.070 0.019 0.000 2.966 268 H HA 0.246 4.802 4.556 0.000 0.000 0.217 268 H C 0.758 176.095 175.328 0.015 0.000 1.906 268 H CA 0.595 56.654 56.048 0.020 0.000 1.351 268 H CB -0.380 29.394 29.762 0.021 0.000 1.722 268 H HN 0.719 nan 8.280 nan 0.000 0.562 269 G N 0.588 109.428 108.800 0.068 0.000 2.284 269 G HA2 -0.353 3.607 3.960 0.000 0.000 0.261 269 G HA3 -0.353 3.607 3.960 0.000 0.000 0.261 269 G C 0.720 175.646 174.900 0.044 0.000 0.997 269 G CA 0.182 45.312 45.100 0.050 0.000 0.621 269 G HN 0.490 nan 8.290 nan 0.000 0.534 270 R N -0.191 120.344 120.500 0.058 0.000 2.782 270 R HA 0.664 5.004 4.340 0.000 0.000 0.258 270 R C 0.520 176.840 176.300 0.033 0.000 1.055 270 R CA -0.885 55.242 56.100 0.045 0.000 1.065 270 R CB 0.956 31.287 30.300 0.053 0.000 1.172 270 R HN 0.233 nan 8.270 nan 0.000 0.510 271 R N 0.549 121.064 120.500 0.025 0.000 2.404 271 R HA 0.569 4.909 4.340 0.000 0.000 0.291 271 R C -1.394 174.916 176.300 0.017 0.000 1.025 271 R CA -0.073 56.037 56.100 0.017 0.000 0.991 271 R CB 1.277 31.585 30.300 0.014 0.000 1.053 271 R HN 0.706 nan 8.270 nan 0.000 0.479 272 A N 3.412 126.238 122.820 0.009 0.000 2.556 272 A HA 0.504 4.824 4.320 0.000 0.000 0.294 272 A C -1.405 176.179 177.584 -0.000 0.000 1.091 272 A CA -0.796 51.244 52.037 0.005 0.000 0.704 272 A CB 1.811 20.811 19.000 0.001 0.000 1.300 272 A HN 0.806 nan 8.150 nan 0.000 0.406 273 E N -0.187 120.013 120.200 0.001 0.000 2.299 273 E HA 0.735 5.085 4.350 0.000 0.000 0.265 273 E C -1.715 174.886 176.600 0.002 0.000 0.911 273 E CA -0.693 55.710 56.400 0.005 0.000 0.789 273 E CB 2.792 32.499 29.700 0.012 0.000 1.246 273 E HN 0.499 nan 8.360 nan 0.000 0.427 274 L N 0.926 122.156 121.223 0.012 0.000 2.526 274 L HA 0.328 4.668 4.340 0.000 0.000 0.263 274 L C -1.397 175.497 176.870 0.039 0.000 0.943 274 L CA -0.321 54.527 54.840 0.014 0.000 0.859 274 L CB 2.253 44.310 42.059 -0.004 0.000 1.313 274 L HN 0.460 nan 8.230 nan 0.000 0.406 275 S N 3.015 118.739 115.700 0.040 0.000 2.442 275 S HA 0.765 5.235 4.470 0.000 0.000 0.297 275 S C -0.610 174.031 174.600 0.067 0.000 1.131 275 S CA -0.580 57.654 58.200 0.057 0.000 1.092 275 S CB 1.550 64.772 63.200 0.036 0.000 0.998 275 S HN 0.437 nan 8.310 nan 0.000 0.478 276 V N 0.302 120.280 119.914 0.106 0.000 3.078 276 V HA 0.889 5.010 4.120 0.000 0.000 0.311 276 V C 0.738 176.926 176.094 0.156 0.000 1.138 276 V CA -0.801 61.567 62.300 0.113 0.000 1.007 276 V CB 1.137 33.024 31.823 0.107 0.000 1.045 276 V HN 0.756 nan 8.190 nan 0.000 0.432 277 A N 1.040 123.939 122.820 0.132 0.000 1.897 277 A HA 0.171 4.491 4.320 0.000 0.000 0.215 277 A C 1.002 178.744 177.584 0.263 0.000 1.181 277 A CA 1.192 53.317 52.037 0.147 0.000 0.620 277 A CB -0.321 18.736 19.000 0.096 0.000 0.821 277 A HN 0.923 nan 8.150 nan 0.000 0.443 278 Q N -1.342 118.598 119.800 0.232 0.000 2.379 278 Q HA 0.587 4.927 4.340 0.000 0.000 0.278 278 Q C -1.799 174.260 176.000 0.098 0.000 1.068 278 Q CA -0.651 55.294 55.803 0.237 0.000 0.816 278 Q CB 2.914 31.775 28.738 0.205 0.000 1.387 278 Q HN 0.107 nan 8.270 nan 0.000 0.413 279 V N 1.705 121.582 119.914 -0.060 0.000 2.581 279 V HA 0.548 4.668 4.120 0.000 0.000 0.303 279 V C -0.721 175.327 176.094 -0.076 0.000 1.041 279 V CA -0.681 61.525 62.300 -0.156 0.000 0.907 279 V CB 1.969 33.540 31.823 -0.421 0.000 0.994 279 V HN 0.513 nan 8.190 nan 0.000 0.442 280 V N 5.889 125.775 119.914 -0.046 0.000 2.483 280 V HA 0.457 4.577 4.120 0.000 0.000 0.297 280 V C -0.455 175.618 176.094 -0.035 0.000 1.027 280 V CA -0.438 61.853 62.300 -0.016 0.000 0.855 280 V CB 1.716 33.537 31.823 -0.003 0.000 0.995 280 V HN 0.639 nan 8.190 nan 0.000 0.424 281 L N 4.344 125.542 121.223 -0.042 0.000 2.262 281 L HA 0.598 4.938 4.340 0.000 0.000 0.288 281 L C 0.957 177.848 176.870 0.035 0.000 1.035 281 L CA -0.206 54.620 54.840 -0.024 0.000 0.820 281 L CB 1.460 43.489 42.059 -0.050 0.000 1.204 281 L HN 0.750 nan 8.230 nan 0.000 0.424 282 A N 2.679 125.526 122.820 0.044 0.000 2.430 282 A HA 0.578 4.898 4.320 0.000 0.000 0.243 282 A C 1.010 178.642 177.584 0.080 0.000 1.254 282 A CA 0.038 52.120 52.037 0.076 0.000 0.914 282 A CB 0.151 19.182 19.000 0.052 0.000 0.998 282 A HN 0.667 nan 8.150 nan 0.000 0.515 283 A N 1.016 123.871 122.820 0.058 0.000 2.366 283 A HA 0.584 4.904 4.320 0.000 0.000 0.249 283 A C -2.304 175.312 177.584 0.052 0.000 1.084 283 A CA -1.110 50.945 52.037 0.030 0.000 0.794 283 A CB -0.354 18.630 19.000 -0.027 0.000 1.034 283 A HN 0.242 nan 8.150 nan 0.000 0.491 284 P HA 0.179 nan 4.420 nan 0.000 0.270 284 P C 0.909 178.214 177.300 0.008 0.000 1.227 284 P CA 0.626 63.761 63.100 0.058 0.000 0.788 284 P CB 0.471 32.201 31.700 0.050 0.000 0.926 285 A N 1.710 124.566 122.820 0.059 0.000 1.892 285 A HA -0.274 4.046 4.320 0.000 0.000 0.218 285 A C 2.098 179.699 177.584 0.028 0.000 1.188 285 A CA 2.153 54.230 52.037 0.066 0.000 0.631 285 A CB -1.857 17.248 19.000 0.176 0.000 0.822 285 A HN 0.827 nan 8.150 nan 0.000 0.447 286 H N -0.783 118.223 119.070 -0.105 0.000 2.326 286 H HA 0.063 4.619 4.556 0.000 0.000 0.301 286 H C 2.124 177.427 175.328 -0.041 0.000 1.081 286 H CA 1.767 57.767 56.048 -0.080 0.000 1.334 286 H CB -0.877 28.805 29.762 -0.134 0.000 1.385 286 H HN 0.375 nan 8.280 nan 0.000 0.504 287 A N 0.937 123.165 122.820 -0.986 0.000 1.930 287 A HA -0.100 4.220 4.320 0.000 0.000 0.217 287 A C 2.602 180.036 177.584 -0.249 0.000 1.175 287 A CA 1.848 53.495 52.037 -0.650 0.000 0.627 287 A CB -1.022 17.624 19.000 -0.590 0.000 0.815 287 A HN 0.552 nan 8.150 nan 0.000 0.443 288 T N 0.081 114.544 114.554 -0.152 0.000 2.821 288 T HA 0.042 4.392 4.350 0.000 0.000 0.267 288 T C 2.194 176.874 174.700 -0.033 0.000 1.046 288 T CA 1.321 63.392 62.100 -0.049 0.000 1.139 288 T CB -0.327 68.569 68.868 0.047 0.000 0.871 288 T HN 0.572 nan 8.240 nan 0.000 0.454 289 A N 1.551 124.356 122.820 -0.024 0.000 1.933 289 A HA -0.090 4.231 4.320 0.000 0.000 0.218 289 A C 2.207 179.783 177.584 -0.013 0.000 1.175 289 A CA 1.752 53.789 52.037 -0.000 0.000 0.628 289 A CB -0.491 18.524 19.000 0.025 0.000 0.814 289 A HN 0.448 nan 8.150 nan 0.000 0.444 290 K N -0.393 119.986 120.400 -0.036 0.000 2.103 290 K HA -0.081 4.239 4.320 0.000 0.000 0.207 290 K C 1.788 178.373 176.600 -0.025 0.000 1.048 290 K CA 1.396 57.667 56.287 -0.027 0.000 0.930 290 K CB -0.267 32.207 32.500 -0.043 0.000 0.716 290 K HN 0.505 nan 8.250 nan 0.000 0.444 291 L N 0.541 121.740 121.223 -0.040 0.000 2.131 291 L HA -0.100 4.240 4.340 0.000 0.000 0.206 291 L C 2.097 178.950 176.870 -0.029 0.000 1.087 291 L CA 0.649 55.468 54.840 -0.036 0.000 0.767 291 L CB -0.126 41.899 42.059 -0.056 0.000 0.917 291 L HN 0.181 nan 8.230 nan 0.000 0.441 292 L N -0.927 120.279 121.223 -0.030 0.000 2.478 292 L HA -0.074 4.266 4.340 0.000 0.000 0.223 292 L C 2.564 179.435 176.870 0.001 0.000 1.140 292 L CA 0.138 54.965 54.840 -0.023 0.000 0.842 292 L CB -0.305 41.738 42.059 -0.026 0.000 0.953 292 L HN 0.175 nan 8.230 nan 0.000 0.452 293 R N 1.344 121.847 120.500 0.004 0.000 2.097 293 R HA -0.149 4.191 4.340 0.000 0.000 0.236 293 R C -0.672 175.639 176.300 0.019 0.000 1.135 293 R CA 1.865 57.972 56.100 0.012 0.000 0.934 293 R CB -1.305 29.001 30.300 0.011 0.000 0.846 293 R HN 0.186 nan 8.270 nan 0.000 0.431 294 P HA -0.019 nan 4.420 nan 0.000 0.242 294 P C 0.463 177.788 177.300 0.042 0.000 1.197 294 P CA 0.680 63.798 63.100 0.030 0.000 0.765 294 P CB 0.230 31.949 31.700 0.032 0.000 0.936 295 L N -1.117 120.134 121.223 0.048 0.000 2.362 295 L HA 0.336 4.676 4.340 0.000 0.000 0.204 295 L C 0.010 176.912 176.870 0.054 0.000 1.060 295 L CA 1.172 56.055 54.840 0.072 0.000 0.827 295 L CB 0.312 42.427 42.059 0.092 0.000 1.027 295 L HN -0.210 nan 8.230 nan 0.000 0.474 296 D N -1.747 118.673 120.400 0.034 0.000 2.452 296 D HA 0.081 4.721 4.640 0.000 0.000 0.226 296 D C -0.078 176.232 176.300 0.016 0.000 1.366 296 D CA -0.118 53.896 54.000 0.023 0.000 0.986 296 D CB 1.151 41.963 40.800 0.020 0.000 1.420 296 D HN 0.084 nan 8.370 nan 0.000 0.583 297 D N 2.521 122.931 120.400 0.016 0.000 2.144 297 D HA -0.087 4.553 4.640 0.000 0.000 0.199 297 D C 1.783 178.091 176.300 0.013 0.000 0.984 297 D CA 1.675 55.683 54.000 0.014 0.000 0.834 297 D CB 0.437 41.245 40.800 0.014 0.000 0.955 297 D HN 0.381 nan 8.370 nan 0.000 0.465 298 A N -0.075 122.752 122.820 0.010 0.000 1.898 298 A HA -0.045 4.275 4.320 0.000 0.000 0.216 298 A C 2.087 179.675 177.584 0.007 0.000 1.181 298 A CA 1.136 53.178 52.037 0.008 0.000 0.620 298 A CB -0.786 18.217 19.000 0.005 0.000 0.819 298 A HN 0.387 nan 8.150 nan 0.000 0.442 299 L N -0.113 121.113 121.223 0.004 0.000 2.027 299 L HA -0.003 4.337 4.340 0.000 0.000 0.206 299 L C 2.592 179.469 176.870 0.011 0.000 1.074 299 L CA 2.242 57.083 54.840 0.001 0.000 0.745 299 L CB -0.877 41.177 42.059 -0.009 0.000 0.898 299 L HN 0.311 nan 8.230 nan 0.000 0.433 300 A N -0.311 122.517 122.820 0.012 0.000 1.940 300 A HA -0.123 4.197 4.320 0.000 0.000 0.219 300 A C 2.458 180.059 177.584 0.028 0.000 1.176 300 A CA 1.884 53.932 52.037 0.020 0.000 0.631 300 A CB -1.182 17.827 19.000 0.015 0.000 0.814 300 A HN 0.617 nan 8.150 nan 0.000 0.446 301 A N -0.268 122.566 122.820 0.024 0.000 1.902 301 A HA -0.030 4.290 4.320 0.000 0.000 0.217 301 A C 2.161 179.764 177.584 0.031 0.000 1.181 301 A CA 1.469 53.522 52.037 0.027 0.000 0.623 301 A CB -0.590 18.422 19.000 0.020 0.000 0.818 301 A HN 0.474 nan 8.150 nan 0.000 0.443 302 L N -0.519 120.719 121.223 0.025 0.000 2.046 302 L HA -0.175 4.165 4.340 0.000 0.000 0.208 302 L C 2.501 179.400 176.870 0.047 0.000 1.077 302 L CA 1.230 56.084 54.840 0.023 0.000 0.747 302 L CB -0.521 41.543 42.059 0.008 0.000 0.896 302 L HN 0.258 nan 8.230 nan 0.000 0.432 303 V N -0.235 119.720 119.914 0.068 0.000 2.453 303 V HA -0.190 3.930 4.120 0.000 0.000 0.247 303 V C 2.639 178.792 176.094 0.099 0.000 1.048 303 V CA 1.571 63.939 62.300 0.113 0.000 1.049 303 V CB -0.831 31.073 31.823 0.134 0.000 0.672 303 V HN 0.460 nan 8.190 nan 0.000 0.457 304 A N 0.656 123.522 122.820 0.076 0.000 2.067 304 A HA 0.008 4.328 4.320 0.000 0.000 0.219 304 A C 2.232 179.866 177.584 0.083 0.000 1.158 304 A CA 1.457 53.540 52.037 0.077 0.000 0.661 304 A CB -0.793 18.242 19.000 0.058 0.000 0.801 304 A HN 0.544 nan 8.150 nan 0.000 0.452 305 G N -0.683 108.162 108.800 0.075 0.000 2.744 305 G HA2 0.189 4.149 3.960 0.000 0.000 0.211 305 G HA3 0.189 4.149 3.960 0.000 0.000 0.211 305 G C 0.571 175.530 174.900 0.099 0.000 1.143 305 G CA -0.131 45.013 45.100 0.073 0.000 0.788 305 G HN 0.380 nan 8.290 nan 0.000 0.534 306 I N 2.148 122.796 120.570 0.130 0.000 2.494 306 I HA 0.254 4.424 4.170 0.000 0.000 0.289 306 I C 0.902 177.164 176.117 0.241 0.000 1.106 306 I CA -0.703 60.700 61.300 0.171 0.000 1.369 306 I CB 0.140 38.245 38.000 0.176 0.000 1.410 306 I HN 0.031 nan 8.210 nan 0.000 0.523 307 A N 7.594 130.515 122.820 0.169 0.000 2.371 307 A HA 0.470 4.790 4.320 0.000 0.000 0.257 307 A C -1.027 176.679 177.584 0.203 0.000 1.089 307 A CA 0.003 52.150 52.037 0.182 0.000 0.794 307 A CB 0.300 19.357 19.000 0.095 0.000 1.029 307 A HN 0.576 nan 8.150 nan 0.000 0.488 308 Y N -0.212 120.104 120.300 0.027 0.000 2.391 308 Y HA 0.527 5.077 4.550 0.000 0.000 0.341 308 Y C 0.406 176.320 175.900 0.023 0.000 0.965 308 Y CA -0.408 57.707 58.100 0.024 0.000 1.067 308 Y CB 2.103 40.575 38.460 0.021 0.000 1.199 308 Y HN 0.833 nan 8.280 nan 0.000 0.450 309 A N 6.132 129.018 122.820 0.110 0.000 2.252 309 A HA 0.658 4.978 4.320 0.000 0.000 0.309 309 A C -2.747 174.905 177.584 0.114 0.000 1.285 309 A CA -1.784 50.306 52.037 0.087 0.000 0.900 309 A CB 0.001 19.026 19.000 0.042 0.000 1.157 309 A HN 0.413 nan 8.150 nan 0.000 0.536 310 P HA 0.418 nan 4.420 nan 0.000 0.271 310 P C -0.563 176.810 177.300 0.122 0.000 1.218 310 P CA 0.114 63.292 63.100 0.130 0.000 0.780 310 P CB 0.707 32.464 31.700 0.094 0.000 0.901 311 I N 0.631 121.306 120.570 0.174 0.000 2.775 311 I HA 0.674 4.844 4.170 0.000 0.000 0.295 311 I C -1.687 174.572 176.117 0.236 0.000 1.287 311 I CA -0.800 60.600 61.300 0.167 0.000 1.029 311 I CB 1.784 39.865 38.000 0.134 0.000 1.282 311 I HN 0.369 nan 8.210 nan 0.000 0.426 312 A N 6.160 129.071 122.820 0.151 0.000 2.355 312 A HA 0.748 5.068 4.320 0.000 0.000 0.317 312 A C -1.604 176.044 177.584 0.107 0.000 1.094 312 A CA -0.605 51.511 52.037 0.132 0.000 0.764 312 A CB 1.864 20.888 19.000 0.041 0.000 1.230 312 A HN 0.724 nan 8.150 nan 0.000 0.448 313 V N 3.719 123.718 119.914 0.142 0.000 2.370 313 V HA 0.609 4.729 4.120 0.000 0.000 0.283 313 V C -0.875 175.182 176.094 -0.061 0.000 1.023 313 V CA -0.346 61.973 62.300 0.031 0.000 0.857 313 V CB 1.374 33.231 31.823 0.056 0.000 0.985 313 V HN 0.690 nan 8.190 nan 0.000 0.443 314 V N 7.357 127.185 119.914 -0.143 0.000 2.347 314 V HA 0.452 4.572 4.120 0.000 0.000 0.280 314 V C -0.415 175.555 176.094 -0.207 0.000 1.021 314 V CA -0.522 61.692 62.300 -0.142 0.000 0.847 314 V CB 1.059 32.826 31.823 -0.094 0.000 0.990 314 V HN 0.998 nan 8.190 nan 0.000 0.444 315 H N 5.075 124.135 119.070 -0.017 0.000 2.562 315 H HA 0.620 5.176 4.556 0.000 0.000 0.314 315 H C -0.485 174.754 175.328 -0.148 0.000 1.079 315 H CA -0.298 55.744 56.048 -0.012 0.000 1.349 315 H CB 0.995 30.795 29.762 0.064 0.000 1.432 315 H HN 0.487 nan 8.280 nan 0.000 0.479 316 L N 3.261 124.512 121.223 0.048 0.000 2.342 316 L HA 0.451 4.791 4.340 0.000 0.000 0.276 316 L C 0.549 177.345 176.870 -0.122 0.000 0.997 316 L CA -0.756 54.008 54.840 -0.126 0.000 0.838 316 L CB 1.676 43.680 42.059 -0.092 0.000 1.224 316 L HN 0.721 nan 8.230 nan 0.000 0.416 317 G N 2.287 110.960 108.800 -0.213 0.000 2.356 317 G HA2 0.692 4.653 3.960 0.000 0.000 0.322 317 G HA3 0.692 4.653 3.960 0.000 0.000 0.322 317 G C -1.208 173.573 174.900 -0.198 0.000 1.125 317 G CA -0.208 44.835 45.100 -0.094 0.000 0.885 317 G HN 0.273 nan 8.290 nan 0.000 0.467 318 F N 0.341 120.472 119.950 0.301 0.000 2.540 318 F HA 0.296 4.823 4.527 0.000 0.000 0.317 318 F C 0.079 176.009 175.800 0.215 0.000 1.104 318 F CA -1.035 57.098 58.000 0.222 0.000 0.913 318 F CB 2.101 41.205 39.000 0.173 0.000 1.170 318 F HN 0.249 nan 8.300 nan 0.000 0.450 319 D N 1.966 122.553 120.400 0.312 0.000 2.455 319 D HA 0.212 4.852 4.640 0.000 0.000 0.241 319 D C 0.094 176.497 176.300 0.172 0.000 1.138 319 D CA 0.232 54.349 54.000 0.194 0.000 0.877 319 D CB 1.155 42.037 40.800 0.136 0.000 1.187 319 D HN 0.678 nan 8.370 nan 0.000 0.451 320 A N 1.793 124.682 122.820 0.115 0.000 2.563 320 A HA 0.376 4.696 4.320 0.000 0.000 0.256 320 A C 1.504 179.131 177.584 0.072 0.000 1.056 320 A CA 0.803 52.891 52.037 0.085 0.000 0.775 320 A CB -0.463 18.566 19.000 0.049 0.000 0.973 320 A HN 0.845 nan 8.150 nan 0.000 0.516 321 G N 1.789 110.628 108.800 0.066 0.000 2.213 321 G HA2 -0.287 3.673 3.960 0.000 0.000 0.236 321 G HA3 -0.287 3.673 3.960 0.000 0.000 0.236 321 G C 1.135 176.064 174.900 0.048 0.000 0.991 321 G CA 0.929 46.057 45.100 0.047 0.000 0.629 321 G HN 1.874 nan 8.290 nan 0.000 0.517 322 T N -0.995 113.606 114.554 0.078 0.000 2.951 322 T HA 0.413 4.763 4.350 0.000 0.000 0.268 322 T C 0.775 175.486 174.700 0.018 0.000 1.073 322 T CA 1.719 63.866 62.100 0.080 0.000 1.134 322 T CB -0.133 68.834 68.868 0.166 0.000 0.884 322 T HN 1.573 nan 8.240 nan 0.000 0.479 323 L N -1.949 119.265 121.223 -0.014 0.000 2.540 323 L HA 0.791 5.131 4.340 0.000 0.000 0.256 323 L C -3.131 173.712 176.870 -0.045 0.000 1.001 323 L CA -2.452 52.339 54.840 -0.082 0.000 0.843 323 L CB 0.220 42.135 42.059 -0.241 0.000 1.436 323 L HN -0.301 nan 8.230 nan 0.000 0.410 324 P HA 0.371 nan 4.420 nan 0.000 0.274 324 P C -0.673 176.605 177.300 -0.035 0.000 1.231 324 P CA -0.248 62.836 63.100 -0.028 0.000 0.790 324 P CB 0.921 32.604 31.700 -0.028 0.000 0.951 325 A N 4.187 126.990 122.820 -0.029 0.000 2.491 325 A HA 0.341 4.661 4.320 0.000 0.000 0.261 325 A C -1.614 175.924 177.584 -0.077 0.000 1.101 325 A CA -0.847 51.157 52.037 -0.055 0.000 0.772 325 A CB -1.209 17.771 19.000 -0.032 0.000 1.043 325 A HN 0.440 nan 8.150 nan 0.000 0.501 326 P HA 0.214 nan 4.420 nan 0.000 0.275 326 P C -0.676 176.601 177.300 -0.038 0.000 1.228 326 P CA -0.250 62.762 63.100 -0.145 0.000 0.786 326 P CB 0.771 32.235 31.700 -0.394 0.000 0.927 327 D N 0.489 120.947 120.400 0.097 0.000 2.341 327 D HA 0.453 5.093 4.640 0.000 0.000 0.245 327 D C 0.625 177.175 176.300 0.416 0.000 1.106 327 D CA 1.033 55.156 54.000 0.205 0.000 0.905 327 D CB 0.360 41.283 40.800 0.207 0.000 1.202 327 D HN 0.741 nan 8.370 nan 0.000 0.426 328 G N 1.868 110.879 108.800 0.353 0.000 2.795 328 G HA2 -0.282 3.678 3.960 0.000 0.000 0.664 328 G HA3 -0.282 3.678 3.960 0.000 0.000 0.664 328 G C 0.137 175.245 174.900 0.348 0.000 1.381 328 G CA -0.203 45.106 45.100 0.349 0.000 0.853 328 G HN 0.529 nan 8.290 nan 0.000 0.545 329 F N 1.767 121.745 119.950 0.047 0.000 2.407 329 F HA 0.419 4.946 4.527 0.000 0.000 0.299 329 F C 1.576 177.313 175.800 -0.105 0.000 1.097 329 F CA 2.323 60.300 58.000 -0.039 0.000 1.422 329 F CB -0.187 38.756 39.000 -0.095 0.000 1.067 329 F HN 1.854 nan 8.300 nan 0.000 0.539 330 G N -0.795 107.722 108.800 -0.471 0.000 2.352 330 G HA2 0.313 4.273 3.960 0.000 0.000 0.283 330 G HA3 0.313 4.273 3.960 0.000 0.000 0.283 330 G C -1.757 172.944 174.900 -0.333 0.000 1.308 330 G CA -0.467 44.066 45.100 -0.946 0.000 0.892 330 G HN 0.571 nan 8.290 nan 0.000 0.504 331 F N -1.013 118.736 119.950 -0.335 0.000 2.601 331 F HA 0.893 5.420 4.527 0.000 0.000 0.309 331 F C -1.171 174.601 175.800 -0.047 0.000 1.089 331 F CA -1.460 56.496 58.000 -0.073 0.000 0.940 331 F CB 1.442 40.451 39.000 0.016 0.000 1.273 331 F HN 0.466 nan 8.300 nan 0.000 0.450 332 L N 3.414 124.720 121.223 0.139 0.000 2.333 332 L HA 0.838 5.178 4.340 0.000 0.000 0.269 332 L C -0.667 176.347 176.870 0.240 0.000 1.010 332 L CA -1.325 53.556 54.840 0.068 0.000 0.818 332 L CB 1.783 43.860 42.059 0.030 0.000 1.306 332 L HN 0.734 nan 8.230 nan 0.000 0.430 333 V N 2.299 122.322 119.914 0.183 0.000 2.444 333 V HA 0.622 4.742 4.120 0.000 0.000 0.294 333 V C -2.391 173.790 176.094 0.145 0.000 1.022 333 V CA -2.046 60.386 62.300 0.219 0.000 0.850 333 V CB 1.912 33.866 31.823 0.219 0.000 0.992 333 V HN 0.586 nan 8.190 nan 0.000 0.426 334 P HA 0.181 nan 4.420 nan 0.000 0.266 334 P C 0.606 177.966 177.300 0.099 0.000 1.195 334 P CA 0.439 63.607 63.100 0.112 0.000 0.768 334 P CB 0.951 32.718 31.700 0.112 0.000 0.838 335 A N 3.449 126.316 122.820 0.078 0.000 1.972 335 A HA -0.217 4.103 4.320 0.000 0.000 0.219 335 A C 1.836 179.460 177.584 0.066 0.000 1.169 335 A CA 1.785 53.862 52.037 0.066 0.000 0.635 335 A CB -1.041 17.993 19.000 0.056 0.000 0.810 335 A HN 0.739 nan 8.150 nan 0.000 0.446 336 E N -0.368 119.875 120.200 0.071 0.000 2.268 336 E HA -0.159 4.191 4.350 0.000 0.000 0.195 336 E C 1.098 177.744 176.600 0.077 0.000 0.995 336 E CA 0.991 57.432 56.400 0.068 0.000 0.836 336 E CB -0.205 29.535 29.700 0.066 0.000 0.763 336 E HN 0.499 nan 8.360 nan 0.000 0.491 337 E N 1.110 121.370 120.200 0.100 0.000 2.418 337 E HA -0.103 4.247 4.350 0.000 0.000 0.197 337 E C -0.057 176.598 176.600 0.093 0.000 1.026 337 E CA 0.384 56.860 56.400 0.127 0.000 0.862 337 E CB -0.131 29.695 29.700 0.209 0.000 0.799 337 E HN 0.401 nan 8.360 nan 0.000 0.518 338 Q N 0.750 120.592 119.800 0.069 0.000 2.453 338 Q HA -0.196 4.144 4.340 0.000 0.000 0.350 338 Q C -0.323 175.698 176.000 0.036 0.000 1.447 338 Q CA 0.636 56.467 55.803 0.048 0.000 0.968 338 Q CB -0.811 27.952 28.738 0.042 0.000 1.175 338 Q HN 0.056 nan 8.270 nan 0.000 0.354 339 R N 0.141 120.661 120.500 0.032 0.000 2.854 339 R HA 0.410 4.750 4.340 0.000 0.000 0.271 339 R C 0.920 177.227 176.300 0.010 0.000 0.996 339 R CA -0.792 55.315 56.100 0.011 0.000 0.961 339 R CB 0.829 31.127 30.300 -0.003 0.000 1.182 339 R HN 0.291 nan 8.270 nan 0.000 0.479 340 R N 0.183 120.682 120.500 -0.001 0.000 2.297 340 R HA 0.245 4.585 4.340 0.000 0.000 0.197 340 R C 0.618 176.918 176.300 0.000 0.000 0.943 340 R CA 0.452 56.552 56.100 -0.000 0.000 1.038 340 R CB 0.419 30.715 30.300 -0.007 0.000 0.957 340 R HN 0.304 nan 8.270 nan 0.000 0.484 341 M N 0.442 120.043 119.600 0.003 0.000 2.578 341 M HA 0.244 4.724 4.480 0.000 0.000 0.321 341 M C 0.210 176.513 176.300 0.006 0.000 1.182 341 M CA -0.408 54.893 55.300 0.001 0.000 0.965 341 M CB 1.802 34.409 32.600 0.011 0.000 1.694 341 M HN -0.052 nan 8.290 nan 0.000 0.461 342 L N 1.658 122.869 121.223 -0.019 0.000 2.354 342 L HA 0.492 4.833 4.340 0.000 0.000 0.212 342 L C 0.911 177.736 176.870 -0.075 0.000 1.091 342 L CA 0.237 55.063 54.840 -0.023 0.000 0.828 342 L CB 0.061 42.106 42.059 -0.025 0.000 0.973 342 L HN 0.898 nan 8.230 nan 0.000 0.461 343 G N -0.710 107.980 108.800 -0.182 0.000 2.359 343 G HA2 0.507 4.467 3.960 0.000 0.000 0.293 343 G HA3 0.507 4.467 3.960 0.000 0.000 0.293 343 G C -2.162 172.387 174.900 -0.585 0.000 1.300 343 G CA -0.129 44.679 45.100 -0.487 0.000 0.888 343 G HN 0.170 nan 8.290 nan 0.000 0.541 344 A N -0.972 121.304 122.820 -0.906 0.000 2.594 344 A HA 0.869 5.189 4.320 0.000 0.000 0.295 344 A C -1.224 176.114 177.584 -0.411 0.000 1.071 344 A CA -0.551 51.189 52.037 -0.495 0.000 0.685 344 A CB 1.352 20.220 19.000 -0.220 0.000 1.285 344 A HN 1.484 nan 8.150 nan 0.000 0.405 345 I N 0.481 120.926 120.570 -0.207 0.000 2.447 345 I HA 0.536 4.706 4.170 0.000 0.000 0.287 345 I C -0.059 176.037 176.117 -0.036 0.000 1.023 345 I CA -0.597 60.614 61.300 -0.148 0.000 1.083 345 I CB 1.450 39.261 38.000 -0.315 0.000 1.245 345 I HN 0.814 nan 8.210 nan 0.000 0.434 346 H N 2.904 121.751 119.070 -0.370 0.000 2.776 346 H HA -0.236 4.320 4.556 0.000 0.000 0.300 346 H C 1.204 176.425 175.328 -0.178 0.000 1.161 346 H CA 0.776 56.639 56.048 -0.308 0.000 1.147 346 H CB -0.737 28.868 29.762 -0.262 0.000 1.366 346 H HN 0.809 nan 8.280 nan 0.000 0.397 347 A N -0.546 122.246 122.820 -0.048 0.000 1.911 347 A HA -0.024 4.297 4.320 0.000 0.000 0.212 347 A C 2.353 179.929 177.584 -0.013 0.000 1.189 347 A CA 0.995 53.047 52.037 0.026 0.000 0.639 347 A CB -0.400 18.674 19.000 0.124 0.000 0.839 347 A HN 0.565 nan 8.150 nan 0.000 0.449 348 S N -0.396 115.293 115.700 -0.019 0.000 2.368 348 S HA -0.155 4.316 4.470 0.000 0.000 0.225 348 S C 1.865 176.435 174.600 -0.050 0.000 1.030 348 S CA 2.028 60.226 58.200 -0.004 0.000 0.999 348 S CB -1.159 62.072 63.200 0.052 0.000 0.844 348 S HN 0.433 nan 8.310 nan 0.000 0.459 349 T N 2.276 116.777 114.554 -0.090 0.000 2.674 349 T HA -0.076 4.274 4.350 0.000 0.000 0.265 349 T C 2.042 176.690 174.700 -0.087 0.000 1.039 349 T CA 2.008 64.066 62.100 -0.070 0.000 1.150 349 T CB -1.072 67.754 68.868 -0.070 0.000 0.864 349 T HN 0.593 nan 8.240 nan 0.000 0.427 350 T N 1.147 115.609 114.554 -0.153 0.000 2.674 350 T HA 0.011 4.361 4.350 0.000 0.000 0.265 350 T C 0.394 174.721 174.700 -0.622 0.000 1.039 350 T CA 1.007 62.861 62.100 -0.410 0.000 1.150 350 T CB -0.324 68.247 68.868 -0.495 0.000 0.864 350 T HN 0.361 nan 8.240 nan 0.000 0.427 351 F N 0.757 120.635 119.950 -0.120 0.000 2.443 351 F HA 0.356 4.883 4.527 0.000 0.000 0.369 351 F C -2.106 173.411 175.800 -0.471 0.000 1.090 351 F CA -2.563 55.197 58.000 -0.400 0.000 1.129 351 F CB 1.845 40.419 39.000 -0.710 0.000 1.367 351 F HN -0.052 nan 8.300 nan 0.000 0.465 352 P HA -0.238 nan 4.420 nan 0.000 0.216 352 P C 1.633 178.939 177.300 0.010 0.000 1.150 352 P CA 1.568 64.673 63.100 0.008 0.000 0.843 352 P CB -0.135 31.629 31.700 0.107 0.000 0.787 353 F N -0.958 119.069 119.950 0.129 0.000 2.408 353 F HA 0.019 4.546 4.527 0.000 0.000 0.300 353 F C 1.701 177.557 175.800 0.094 0.000 1.090 353 F CA 0.612 58.666 58.000 0.090 0.000 1.427 353 F CB -1.308 37.736 39.000 0.072 0.000 1.070 353 F HN -0.246 nan 8.300 nan 0.000 0.549 354 R N 0.799 121.142 120.500 -0.261 0.000 2.313 354 R HA 0.433 4.773 4.340 0.000 0.000 0.199 354 R C -0.112 176.225 176.300 0.063 0.000 0.958 354 R CA 0.429 56.490 56.100 -0.064 0.000 1.047 354 R CB -0.019 30.208 30.300 -0.123 0.000 0.955 354 R HN 0.361 nan 8.270 nan 0.000 0.481 355 A N 0.922 123.768 122.820 0.044 0.000 2.455 355 A HA 0.402 4.722 4.320 0.000 0.000 0.300 355 A C -1.072 176.485 177.584 -0.045 0.000 1.040 355 A CA -0.755 51.293 52.037 0.018 0.000 0.697 355 A CB 1.405 20.480 19.000 0.125 0.000 1.265 355 A HN 0.109 nan 8.150 nan 0.000 0.407 356 E N 0.353 120.462 120.200 -0.152 0.000 2.214 356 E HA 0.526 4.876 4.350 0.000 0.000 0.274 356 E C 0.723 177.255 176.600 -0.113 0.000 0.977 356 E CA -0.148 56.188 56.400 -0.106 0.000 0.827 356 E CB 1.443 31.075 29.700 -0.114 0.000 1.130 356 E HN 1.623 nan 8.360 nan 0.000 0.394 357 G N 1.657 110.424 108.800 -0.054 0.000 2.249 357 G HA2 -0.263 3.697 3.960 0.000 0.000 0.273 357 G HA3 -0.263 3.697 3.960 0.000 0.000 0.273 357 G C 0.852 175.740 174.900 -0.020 0.000 1.036 357 G CA 0.598 45.675 45.100 -0.038 0.000 0.824 357 G HN 1.163 nan 8.290 nan 0.000 0.504 358 G N -1.631 107.167 108.800 -0.005 0.000 2.155 358 G HA2 -0.292 3.668 3.960 0.000 0.000 0.257 358 G HA3 -0.292 3.668 3.960 0.000 0.000 0.257 358 G C 0.521 175.449 174.900 0.047 0.000 0.983 358 G CA 0.961 46.075 45.100 0.022 0.000 0.676 358 G HN 1.071 nan 8.290 nan 0.000 0.528 359 R N -0.662 119.857 120.500 0.033 0.000 2.594 359 R HA 0.459 4.799 4.340 0.000 0.000 0.272 359 R C 0.137 176.585 176.300 0.247 0.000 1.074 359 R CA -0.208 55.967 56.100 0.126 0.000 1.105 359 R CB 1.139 31.420 30.300 -0.032 0.000 1.008 359 R HN 0.099 nan 8.270 nan 0.000 0.472 360 V N 4.223 124.347 119.914 0.350 0.000 2.417 360 V HA 0.291 4.411 4.120 0.000 0.000 0.291 360 V C -0.644 175.696 176.094 0.410 0.000 1.024 360 V CA -0.809 61.669 62.300 0.297 0.000 0.861 360 V CB 1.479 33.425 31.823 0.205 0.000 0.985 360 V HN 0.447 nan 8.190 nan 0.000 0.436 361 L N 5.771 127.133 121.223 0.232 0.000 2.333 361 L HA 0.618 4.958 4.340 0.000 0.000 0.280 361 L C -1.255 175.668 176.870 0.088 0.000 1.004 361 L CA -0.125 54.809 54.840 0.157 0.000 0.820 361 L CB 1.317 43.408 42.059 0.053 0.000 1.247 361 L HN 0.542 nan 8.230 nan 0.000 0.416 362 Y N 2.664 123.066 120.300 0.171 0.000 2.341 362 Y HA 0.523 5.073 4.550 0.000 0.000 0.337 362 Y C 0.285 176.246 175.900 0.101 0.000 1.014 362 Y CA -0.231 57.954 58.100 0.143 0.000 1.111 362 Y CB 2.004 40.587 38.460 0.205 0.000 1.194 362 Y HN 0.546 nan 8.280 nan 0.000 0.462 363 S N 2.960 118.760 115.700 0.167 0.000 2.577 363 S HA 0.356 4.827 4.470 0.000 0.000 0.294 363 S C -0.818 173.749 174.600 -0.055 0.000 1.161 363 S CA -0.671 57.530 58.200 0.001 0.000 1.143 363 S CB -0.156 63.072 63.200 0.047 0.000 0.991 363 S HN 0.607 nan 8.310 nan 0.000 0.475 364 C N 4.632 123.892 119.300 -0.066 0.000 2.463 364 C HA 0.562 5.023 4.460 0.000 0.000 0.380 364 C C 0.335 175.271 174.990 -0.090 0.000 1.264 364 C CA -0.943 58.035 59.018 -0.068 0.000 2.161 364 C CB -0.094 27.631 27.740 -0.025 0.000 2.515 364 C HN 0.643 nan 8.230 nan 0.000 0.565 365 M N 3.178 122.724 119.600 -0.090 0.000 2.227 365 M HA 0.500 4.980 4.480 0.000 0.000 0.335 365 M C -0.781 175.499 176.300 -0.032 0.000 1.053 365 M CA -0.258 55.010 55.300 -0.054 0.000 0.973 365 M CB 1.173 33.735 32.600 -0.064 0.000 1.623 365 M HN 0.370 nan 8.290 nan 0.000 0.434 366 V N 2.065 121.977 119.914 -0.004 0.000 2.588 366 V HA 0.942 5.062 4.120 0.000 0.000 0.304 366 V C 0.528 176.636 176.094 0.023 0.000 1.042 366 V CA 0.158 62.459 62.300 0.003 0.000 0.877 366 V CB 1.476 33.296 31.823 -0.005 0.000 0.996 366 V HN 1.140 nan 8.190 nan 0.000 0.425 367 G N 3.145 111.958 108.800 0.022 0.000 2.214 367 G HA2 0.499 4.459 3.960 0.000 0.000 0.200 367 G HA3 0.499 4.459 3.960 0.000 0.000 0.200 367 G C 0.426 175.346 174.900 0.033 0.000 1.126 367 G CA 0.208 45.327 45.100 0.033 0.000 1.284 367 G HN 2.392 nan 8.290 nan 0.000 0.493 368 G N -1.075 107.750 108.800 0.042 0.000 2.796 368 G HA2 0.353 4.313 3.960 0.000 0.000 0.571 368 G HA3 0.353 4.313 3.960 0.000 0.000 0.571 368 G C 1.194 176.118 174.900 0.040 0.000 1.370 368 G CA 1.338 46.461 45.100 0.038 0.000 0.856 368 G HN 2.341 nan 8.290 nan 0.000 0.538 369 A N -0.490 122.351 122.820 0.036 0.000 2.019 369 A HA 0.023 4.343 4.320 0.000 0.000 0.219 369 A C 2.345 179.949 177.584 0.033 0.000 1.164 369 A CA 2.178 54.236 52.037 0.035 0.000 0.644 369 A CB -0.230 18.786 19.000 0.026 0.000 0.805 369 A HN 0.683 nan 8.150 nan 0.000 0.449 370 R N -1.088 119.431 120.500 0.032 0.000 2.276 370 R HA 0.096 4.436 4.340 0.000 0.000 0.196 370 R C 0.016 176.333 176.300 0.028 0.000 0.961 370 R CA 0.555 56.673 56.100 0.030 0.000 1.024 370 R CB 0.192 30.511 30.300 0.032 0.000 0.940 370 R HN 0.573 nan 8.270 nan 0.000 0.480 371 Q N 0.024 119.841 119.800 0.028 0.000 3.180 371 Q HA 0.164 4.504 4.340 0.000 0.000 0.317 371 Q C -2.161 173.855 176.000 0.027 0.000 0.824 371 Q CA -1.234 54.583 55.803 0.025 0.000 0.926 371 Q CB 1.701 30.452 28.738 0.021 0.000 1.487 371 Q HN 0.053 nan 8.270 nan 0.000 0.389 372 P HA -0.085 nan 4.420 nan 0.000 0.225 372 P C 1.188 178.504 177.300 0.026 0.000 1.156 372 P CA 0.886 64.007 63.100 0.034 0.000 0.787 372 P CB 0.313 32.035 31.700 0.037 0.000 0.802 373 G N 0.517 109.328 108.800 0.018 0.000 2.443 373 G HA2 -0.147 3.813 3.960 0.000 0.000 0.219 373 G HA3 -0.147 3.813 3.960 0.000 0.000 0.219 373 G C 1.571 176.475 174.900 0.006 0.000 1.131 373 G CA 0.169 45.276 45.100 0.011 0.000 0.775 373 G HN 0.226 nan 8.290 nan 0.000 0.547 374 L N 0.499 121.727 121.223 0.008 0.000 2.201 374 L HA -0.048 4.292 4.340 0.000 0.000 0.212 374 L C 2.715 179.585 176.870 0.000 0.000 1.105 374 L CA 0.255 55.096 54.840 0.002 0.000 0.775 374 L CB -0.232 41.829 42.059 0.004 0.000 0.913 374 L HN 0.078 nan 8.230 nan 0.000 0.440 375 V N -0.537 119.383 119.914 0.010 0.000 2.809 375 V HA -0.181 3.939 4.120 0.000 0.000 0.256 375 V C 2.112 178.203 176.094 -0.005 0.000 1.080 375 V CA 1.254 63.561 62.300 0.012 0.000 1.102 375 V CB -0.473 31.373 31.823 0.040 0.000 0.705 375 V HN 0.455 nan 8.190 nan 0.000 0.475 376 E N -0.188 120.008 120.200 -0.006 0.000 2.208 376 E HA -0.085 4.265 4.350 0.000 0.000 0.193 376 E C 0.961 177.546 176.600 -0.025 0.000 0.988 376 E CA 0.141 56.532 56.400 -0.015 0.000 0.828 376 E CB 0.018 29.712 29.700 -0.010 0.000 0.763 376 E HN 0.690 nan 8.360 nan 0.000 0.478 377 Q N 1.765 121.550 119.800 -0.025 0.000 2.428 377 Q HA 0.001 4.342 4.340 0.000 0.000 0.276 377 Q C -0.203 175.769 176.000 -0.046 0.000 1.059 377 Q CA 0.001 55.785 55.803 -0.032 0.000 0.923 377 Q CB 0.366 29.086 28.738 -0.029 0.000 1.283 377 Q HN 0.177 nan 8.270 nan 0.000 0.447 378 D N -0.381 119.989 120.400 -0.050 0.000 2.384 378 D HA -0.049 4.591 4.640 0.000 0.000 0.244 378 D C 0.210 176.464 176.300 -0.077 0.000 1.251 378 D CA -0.205 53.757 54.000 -0.064 0.000 0.961 378 D CB 0.595 41.359 40.800 -0.060 0.000 1.116 378 D HN 0.473 nan 8.370 nan 0.000 0.484 379 E N -0.514 119.628 120.200 -0.097 0.000 2.150 379 E HA -0.162 4.188 4.350 0.000 0.000 0.193 379 E C 0.923 177.458 176.600 -0.110 0.000 0.985 379 E CA 1.131 57.459 56.400 -0.119 0.000 0.814 379 E CB -0.079 29.529 29.700 -0.154 0.000 0.752 379 E HN 0.493 nan 8.360 nan 0.000 0.466 380 D N 0.492 120.836 120.400 -0.093 0.000 2.183 380 D HA -0.050 4.590 4.640 0.000 0.000 0.203 380 D C 1.810 178.068 176.300 -0.070 0.000 0.969 380 D CA 1.098 55.047 54.000 -0.084 0.000 0.842 380 D CB -0.067 40.690 40.800 -0.072 0.000 0.957 380 D HN 0.159 nan 8.370 nan 0.000 0.484 381 A N 0.103 122.886 122.820 -0.062 0.000 1.929 381 A HA -0.042 4.278 4.320 0.000 0.000 0.216 381 A C 2.153 179.707 177.584 -0.051 0.000 1.176 381 A CA 0.714 52.721 52.037 -0.050 0.000 0.628 381 A CB -0.622 18.353 19.000 -0.042 0.000 0.816 381 A HN 0.185 nan 8.150 nan 0.000 0.444 382 L N -0.758 120.430 121.223 -0.059 0.000 2.093 382 L HA -0.151 4.189 4.340 0.000 0.000 0.208 382 L C 3.077 179.908 176.870 -0.066 0.000 1.085 382 L CA 0.978 55.783 54.840 -0.058 0.000 0.755 382 L CB -0.443 41.577 42.059 -0.064 0.000 0.904 382 L HN 0.424 nan 8.230 nan 0.000 0.435 383 A N -0.011 122.759 122.820 -0.083 0.000 1.902 383 A HA -0.184 4.136 4.320 0.000 0.000 0.217 383 A C 2.532 180.074 177.584 -0.070 0.000 1.181 383 A CA 1.732 53.714 52.037 -0.092 0.000 0.623 383 A CB -0.767 18.162 19.000 -0.118 0.000 0.818 383 A HN 0.393 nan 8.150 nan 0.000 0.443 384 A N -0.253 122.530 122.820 -0.061 0.000 1.883 384 A HA -0.119 4.201 4.320 0.000 0.000 0.217 384 A C 2.239 179.799 177.584 -0.040 0.000 1.186 384 A CA 1.625 53.633 52.037 -0.047 0.000 0.624 384 A CB -0.754 18.221 19.000 -0.042 0.000 0.822 384 A HN 0.661 nan 8.150 nan 0.000 0.444 385 L N -0.587 120.612 121.223 -0.039 0.000 1.990 385 L HA -0.212 4.128 4.340 0.000 0.000 0.213 385 L C 2.827 179.679 176.870 -0.031 0.000 1.072 385 L CA 1.873 56.694 54.840 -0.032 0.000 0.755 385 L CB -0.405 41.636 42.059 -0.030 0.000 0.889 385 L HN 0.396 nan 8.230 nan 0.000 0.432 386 A N -0.278 122.521 122.820 -0.035 0.000 1.940 386 A HA -0.245 4.075 4.320 0.000 0.000 0.219 386 A C 2.323 179.891 177.584 -0.026 0.000 1.176 386 A CA 1.881 53.901 52.037 -0.028 0.000 0.631 386 A CB -0.579 18.398 19.000 -0.037 0.000 0.814 386 A HN 0.512 nan 8.150 nan 0.000 0.446 387 R N -0.662 119.819 120.500 -0.031 0.000 2.073 387 R HA -0.087 4.253 4.340 0.000 0.000 0.229 387 R C 2.158 178.438 176.300 -0.032 0.000 1.120 387 R CA 1.453 57.538 56.100 -0.025 0.000 0.967 387 R CB -0.268 30.021 30.300 -0.018 0.000 0.862 387 R HN 0.684 nan 8.270 nan 0.000 0.436 388 E N 0.247 120.427 120.200 -0.033 0.000 2.051 388 E HA -0.181 4.169 4.350 0.000 0.000 0.192 388 E C 1.946 178.517 176.600 -0.048 0.000 0.991 388 E CA 0.981 57.359 56.400 -0.037 0.000 0.799 388 E CB 0.119 29.799 29.700 -0.032 0.000 0.748 388 E HN 0.250 nan 8.360 nan 0.000 0.449 389 E N 0.581 120.756 120.200 -0.043 0.000 2.072 389 E HA -0.151 4.199 4.350 0.000 0.000 0.191 389 E C 2.167 178.733 176.600 -0.057 0.000 0.985 389 E CA 0.522 56.891 56.400 -0.052 0.000 0.801 389 E CB -0.246 29.441 29.700 -0.023 0.000 0.750 389 E HN 0.150 nan 8.360 nan 0.000 0.452 390 L N 1.583 122.789 121.223 -0.028 0.000 2.265 390 L HA -0.144 4.196 4.340 0.000 0.000 0.215 390 L C 2.286 179.090 176.870 -0.111 0.000 1.117 390 L CA 1.474 56.289 54.840 -0.042 0.000 0.782 390 L CB -0.188 41.818 42.059 -0.088 0.000 0.914 390 L HN -0.006 nan 8.230 nan 0.000 0.441 391 K N -1.048 119.295 120.400 -0.095 0.000 2.044 391 K HA -0.059 4.261 4.320 0.000 0.000 0.204 391 K C 1.980 178.521 176.600 -0.099 0.000 1.049 391 K CA 1.031 57.263 56.287 -0.092 0.000 0.945 391 K CB -0.097 32.365 32.500 -0.064 0.000 0.724 391 K HN 0.319 nan 8.250 nan 0.000 0.440 392 A N 0.977 123.733 122.820 -0.106 0.000 2.014 392 A HA -0.014 4.306 4.320 0.000 0.000 0.218 392 A C 1.934 179.407 177.584 -0.185 0.000 1.163 392 A CA 1.009 52.976 52.037 -0.116 0.000 0.652 392 A CB -0.215 18.718 19.000 -0.111 0.000 0.808 392 A HN 0.295 nan 8.150 nan 0.000 0.449 393 L N -2.400 118.654 121.223 -0.282 0.000 2.349 393 L HA 0.214 4.554 4.340 0.000 0.000 0.200 393 L C 2.591 179.268 176.870 -0.322 0.000 1.064 393 L CA 0.883 55.433 54.840 -0.484 0.000 0.821 393 L CB -0.245 41.400 42.059 -0.690 0.000 1.027 393 L HN 0.293 nan 8.230 nan 0.000 0.476 394 A N -0.463 122.168 122.820 -0.315 0.000 2.197 394 A HA 0.408 4.728 4.320 0.000 0.000 0.210 394 A C 1.559 179.045 177.584 -0.164 0.000 1.180 394 A CA 0.658 52.523 52.037 -0.285 0.000 0.846 394 A CB 0.059 18.906 19.000 -0.256 0.000 0.884 394 A HN 0.468 nan 8.150 nan 0.000 0.487 395 G N -0.681 108.036 108.800 -0.138 0.000 2.182 395 G HA2 -0.158 3.802 3.960 0.000 0.000 0.248 395 G HA3 -0.158 3.802 3.960 0.000 0.000 0.248 395 G C 0.003 174.832 174.900 -0.118 0.000 1.042 395 G CA 0.130 45.167 45.100 -0.105 0.000 0.775 395 G HN 0.783 nan 8.290 nan 0.000 0.501 396 V N 1.414 121.236 119.914 -0.154 0.000 2.408 396 V HA 0.504 4.624 4.120 0.000 0.000 0.267 396 V C 1.515 177.527 176.094 -0.138 0.000 1.047 396 V CA 0.886 63.063 62.300 -0.205 0.000 0.937 396 V CB 1.069 32.678 31.823 -0.356 0.000 0.999 396 V HN 0.708 nan 8.190 nan 0.000 0.472 397 T N 1.499 115.988 114.554 -0.108 0.000 2.971 397 T HA 0.337 4.687 4.350 0.000 0.000 0.252 397 T C 0.887 175.584 174.700 -0.005 0.000 1.022 397 T CA 0.489 62.560 62.100 -0.048 0.000 0.980 397 T CB 0.346 69.191 68.868 -0.039 0.000 1.044 397 T HN 0.707 nan 8.240 nan 0.000 0.501 398 A N 2.157 124.964 122.820 -0.022 0.000 2.507 398 A HA 0.436 4.756 4.320 0.000 0.000 0.235 398 A C 0.406 178.151 177.584 0.269 0.000 1.070 398 A CA -0.358 51.727 52.037 0.080 0.000 0.768 398 A CB 0.079 19.085 19.000 0.010 0.000 1.011 398 A HN 0.483 nan 8.150 nan 0.000 0.502 399 R N 1.816 122.458 120.500 0.237 0.000 2.265 399 R HA 0.314 4.655 4.340 0.000 0.000 0.314 399 R C -2.470 173.929 176.300 0.164 0.000 1.053 399 R CA -1.502 54.705 56.100 0.179 0.000 0.931 399 R CB 0.654 31.004 30.300 0.084 0.000 1.024 399 R HN 0.554 nan 8.270 nan 0.000 0.457 400 P HA 0.024 nan 4.420 nan 0.000 0.276 400 P C 0.105 177.275 177.300 -0.217 0.000 1.230 400 P CA -0.139 62.617 63.100 -0.574 0.000 0.776 400 P CB 1.174 32.455 31.700 -0.700 0.000 0.888 401 S N 2.091 117.716 115.700 -0.124 0.000 2.575 401 S HA 0.224 4.694 4.470 0.000 0.000 0.215 401 S C 0.058 174.745 174.600 0.146 0.000 0.966 401 S CA -0.221 58.002 58.200 0.039 0.000 0.911 401 S CB -0.557 62.707 63.200 0.106 0.000 0.780 401 S HN 0.465 nan 8.310 nan 0.000 0.514 402 F N 1.151 121.027 119.950 -0.123 0.000 2.615 402 F HA 0.591 5.118 4.527 0.000 0.000 0.312 402 F C -1.616 174.085 175.800 -0.165 0.000 1.119 402 F CA -0.305 57.644 58.000 -0.084 0.000 0.979 402 F CB 1.776 40.790 39.000 0.023 0.000 1.266 402 F HN -0.109 nan 8.300 nan 0.000 0.444 403 T N 5.200 119.172 114.554 -0.969 0.000 3.109 403 T HA 0.560 4.910 4.350 0.000 0.000 0.311 403 T C -1.611 172.563 174.700 -0.877 0.000 1.011 403 T CA -0.630 61.004 62.100 -0.777 0.000 1.026 403 T CB 1.439 70.071 68.868 -0.394 0.000 1.047 403 T HN 0.697 nan 8.240 nan 0.000 0.448 404 R N 2.241 122.308 120.500 -0.722 0.000 2.564 404 R HA 0.758 5.099 4.340 0.000 0.000 0.284 404 R C -1.990 174.148 176.300 -0.269 0.000 1.031 404 R CA -0.583 55.222 56.100 -0.492 0.000 0.904 404 R CB 1.322 31.372 30.300 -0.416 0.000 1.199 404 R HN 0.471 nan 8.270 nan 0.000 0.443 405 V N 5.144 124.811 119.914 -0.411 0.000 2.540 405 V HA 0.590 4.710 4.120 0.000 0.000 0.302 405 V C -1.005 174.784 176.094 -0.510 0.000 1.035 405 V CA -0.599 61.521 62.300 -0.300 0.000 0.873 405 V CB 1.600 33.287 31.823 -0.226 0.000 0.992 405 V HN 0.607 nan 8.190 nan 0.000 0.428 406 F N 3.504 123.410 119.950 -0.074 0.000 2.449 406 F HA 0.630 5.157 4.527 0.000 0.000 0.342 406 F C 0.551 176.162 175.800 -0.316 0.000 1.127 406 F CA -0.602 57.276 58.000 -0.203 0.000 0.975 406 F CB 1.656 40.623 39.000 -0.056 0.000 1.146 406 F HN 0.249 nan 8.300 nan 0.000 0.444 407 R N 2.486 122.795 120.500 -0.318 0.000 2.346 407 R HA 0.390 4.730 4.340 0.000 0.000 0.311 407 R C -1.734 174.275 176.300 -0.485 0.000 0.983 407 R CA -0.671 55.266 56.100 -0.272 0.000 0.880 407 R CB 1.311 31.513 30.300 -0.164 0.000 1.100 407 R HN 0.666 nan 8.270 nan 0.000 0.453 408 W N 4.908 126.252 121.300 0.074 0.000 2.443 408 W HA 0.340 5.000 4.660 0.000 0.000 0.303 408 W C -1.988 174.557 176.519 0.044 0.000 0.991 408 W CA -1.816 55.569 57.345 0.065 0.000 1.522 408 W CB 1.447 30.953 29.460 0.076 0.000 1.315 408 W HN 0.524 nan 8.180 nan 0.000 0.419 409 P HA -0.129 nan 4.420 nan 0.000 0.220 409 P C 0.541 177.900 177.300 0.097 0.000 1.148 409 P CA 1.174 64.329 63.100 0.093 0.000 0.803 409 P CB 0.618 32.333 31.700 0.025 0.000 0.782 410 L N 0.031 121.330 121.223 0.125 0.000 2.494 410 L HA 0.340 4.680 4.340 0.000 0.000 0.251 410 L C 1.068 178.098 176.870 0.268 0.000 1.119 410 L CA -0.372 54.514 54.840 0.076 0.000 1.026 410 L CB 0.056 42.054 42.059 -0.101 0.000 1.370 410 L HN 0.022 nan 8.230 nan 0.000 0.426 411 G N 3.819 112.804 108.800 0.308 0.000 2.948 411 G HA2 0.168 4.128 3.960 0.000 0.000 0.174 411 G HA3 0.168 4.128 3.960 0.000 0.000 0.174 411 G C 0.365 175.379 174.900 0.189 0.000 1.839 411 G CA -0.297 44.949 45.100 0.243 0.000 0.908 411 G HN 0.401 nan 8.290 nan 0.000 0.419 412 I N 2.966 123.560 120.570 0.040 0.000 2.336 412 I HA 0.276 4.446 4.170 0.000 0.000 0.292 412 I C -2.053 173.855 176.117 -0.349 0.000 0.991 412 I CA -2.159 59.060 61.300 -0.134 0.000 1.227 412 I CB 2.281 40.211 38.000 -0.117 0.000 1.366 412 I HN 0.171 nan 8.210 nan 0.000 0.466 413 P HA -0.020 nan 4.420 nan 0.000 0.265 413 P C -1.224 175.874 177.300 -0.336 0.000 1.193 413 P CA -0.168 62.420 63.100 -0.852 0.000 0.765 413 P CB 0.526 31.818 31.700 -0.679 0.000 0.823 414 Q N 2.512 122.186 119.800 -0.210 0.000 2.372 414 Q HA 0.227 4.567 4.340 0.000 0.000 0.259 414 Q C -0.338 175.622 176.000 -0.067 0.000 0.993 414 Q CA -0.309 55.416 55.803 -0.129 0.000 0.854 414 Q CB 0.721 29.413 28.738 -0.077 0.000 1.231 414 Q HN 0.557 nan 8.270 nan 0.000 0.462 415 Y N 2.501 122.487 120.300 -0.523 0.000 2.724 415 Y HA 0.088 4.639 4.550 0.000 0.000 0.354 415 Y C 0.587 176.264 175.900 -0.372 0.000 1.270 415 Y CA -0.487 57.194 58.100 -0.697 0.000 1.902 415 Y CB 0.060 38.050 38.460 -0.783 0.000 1.981 415 Y HN 0.486 nan 8.280 nan 0.000 0.428 416 N N 0.925 119.583 118.700 -0.070 0.000 2.364 416 N HA 0.257 4.997 4.740 0.000 0.000 0.264 416 N C -0.581 174.943 175.510 0.024 0.000 1.263 416 N CA -0.903 52.135 53.050 -0.021 0.000 0.959 416 N CB 0.759 39.245 38.487 -0.000 0.000 1.204 416 N HN 0.284 nan 8.380 nan 0.000 0.550 417 L N 0.807 122.043 121.223 0.022 0.000 2.578 417 L HA -0.042 4.298 4.340 0.000 0.000 0.279 417 L C 1.507 178.401 176.870 0.041 0.000 1.227 417 L CA 0.466 55.326 54.840 0.032 0.000 0.900 417 L CB -0.438 41.638 42.059 0.028 0.000 1.144 417 L HN 0.979 nan 8.230 nan 0.000 0.496 418 G N 1.213 110.036 108.800 0.040 0.000 2.195 418 G HA2 -0.350 3.610 3.960 0.000 0.000 0.246 418 G HA3 -0.350 3.610 3.960 0.000 0.000 0.246 418 G C 0.772 175.682 174.900 0.018 0.000 0.984 418 G CA 0.584 45.699 45.100 0.025 0.000 0.633 418 G HN 0.895 nan 8.290 nan 0.000 0.525 419 H N -0.018 119.015 119.070 -0.063 0.000 2.353 419 H HA 0.176 4.732 4.556 0.000 0.000 0.300 419 H C 2.540 177.794 175.328 -0.123 0.000 1.090 419 H CA 2.110 58.088 56.048 -0.116 0.000 1.327 419 H CB -0.075 29.576 29.762 -0.186 0.000 1.383 419 H HN 0.348 nan 8.280 nan 0.000 0.508 420 L N 0.995 122.187 121.223 -0.052 0.000 2.093 420 L HA -0.105 4.235 4.340 0.000 0.000 0.208 420 L C 2.382 179.187 176.870 -0.108 0.000 1.085 420 L CA 2.202 56.993 54.840 -0.083 0.000 0.755 420 L CB -0.727 41.330 42.059 -0.003 0.000 0.904 420 L HN 0.672 nan 8.230 nan 0.000 0.435 421 E N -1.166 118.988 120.200 -0.076 0.000 2.216 421 E HA -0.227 4.124 4.350 0.000 0.000 0.192 421 E C 2.294 178.841 176.600 -0.089 0.000 0.988 421 E CA 0.628 56.990 56.400 -0.064 0.000 0.834 421 E CB -0.383 29.297 29.700 -0.034 0.000 0.772 421 E HN 0.398 nan 8.360 nan 0.000 0.479 422 R N 0.906 121.327 120.500 -0.132 0.000 2.075 422 R HA -0.085 4.255 4.340 0.000 0.000 0.232 422 R C 2.292 178.492 176.300 -0.167 0.000 1.126 422 R CA 1.346 57.360 56.100 -0.142 0.000 0.963 422 R CB -0.366 29.834 30.300 -0.166 0.000 0.858 422 R HN 0.252 nan 8.270 nan 0.000 0.435 423 V N 1.046 120.802 119.914 -0.264 0.000 2.626 423 V HA -0.148 3.973 4.120 0.000 0.000 0.252 423 V C 2.218 178.241 176.094 -0.119 0.000 1.067 423 V CA 1.900 64.080 62.300 -0.200 0.000 1.081 423 V CB -0.214 31.456 31.823 -0.256 0.000 0.686 423 V HN 0.530 nan 8.190 nan 0.000 0.468 424 A N -0.345 122.412 122.820 -0.104 0.000 1.930 424 A HA 0.033 4.353 4.320 0.000 0.000 0.217 424 A C 2.384 179.932 177.584 -0.059 0.000 1.175 424 A CA 1.774 53.770 52.037 -0.069 0.000 0.627 424 A CB -0.785 18.183 19.000 -0.053 0.000 0.815 424 A HN 0.728 nan 8.150 nan 0.000 0.443 425 A N -0.183 122.601 122.820 -0.060 0.000 1.969 425 A HA -0.004 4.316 4.320 0.000 0.000 0.218 425 A C 2.066 179.621 177.584 -0.048 0.000 1.169 425 A CA 1.352 53.361 52.037 -0.046 0.000 0.635 425 A CB -0.537 18.439 19.000 -0.039 0.000 0.810 425 A HN 0.477 nan 8.150 nan 0.000 0.445 426 I N -0.152 120.383 120.570 -0.059 0.000 2.252 426 I HA -0.219 3.951 4.170 0.000 0.000 0.245 426 I C 1.806 177.872 176.117 -0.085 0.000 1.102 426 I CA 1.367 62.629 61.300 -0.064 0.000 1.385 426 I CB -0.319 37.646 38.000 -0.059 0.000 1.064 426 I HN 0.217 nan 8.210 nan 0.000 0.414 427 D N 0.957 121.305 120.400 -0.087 0.000 2.117 427 D HA -0.132 4.508 4.640 0.000 0.000 0.197 427 D C 2.252 178.516 176.300 -0.060 0.000 0.987 427 D CA 1.541 55.492 54.000 -0.082 0.000 0.829 427 D CB -0.144 40.614 40.800 -0.069 0.000 0.961 427 D HN 0.339 nan 8.370 nan 0.000 0.460 428 A N 0.784 123.575 122.820 -0.048 0.000 1.969 428 A HA 0.031 4.351 4.320 0.000 0.000 0.218 428 A C 2.246 179.811 177.584 -0.033 0.000 1.169 428 A CA 1.841 53.858 52.037 -0.034 0.000 0.635 428 A CB -0.461 18.522 19.000 -0.028 0.000 0.810 428 A HN 0.224 nan 8.150 nan 0.000 0.445 429 A N -0.530 122.267 122.820 -0.038 0.000 2.014 429 A HA 0.136 4.456 4.320 0.000 0.000 0.218 429 A C 2.034 179.595 177.584 -0.039 0.000 1.163 429 A CA 1.057 53.075 52.037 -0.031 0.000 0.652 429 A CB -0.428 18.555 19.000 -0.029 0.000 0.808 429 A HN 0.450 nan 8.150 nan 0.000 0.449 430 L N -0.971 120.213 121.223 -0.064 0.000 2.217 430 L HA -0.165 4.175 4.340 0.000 0.000 0.211 430 L C 2.655 179.480 176.870 -0.075 0.000 1.107 430 L CA 0.900 55.685 54.840 -0.093 0.000 0.783 430 L CB -0.373 41.600 42.059 -0.142 0.000 0.919 430 L HN 0.474 nan 8.230 nan 0.000 0.442 431 Q N -0.196 119.575 119.800 -0.049 0.000 2.224 431 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 431 Q C 1.895 177.888 176.000 -0.010 0.000 0.970 431 Q CA 0.934 56.720 55.803 -0.028 0.000 0.865 431 Q CB 0.097 28.824 28.738 -0.019 0.000 0.922 431 Q HN 0.461 nan 8.270 nan 0.000 0.445 432 R N 0.090 120.586 120.500 -0.006 0.000 2.313 432 R HA 0.080 4.420 4.340 0.000 0.000 0.199 432 R C 0.121 176.440 176.300 0.031 0.000 0.958 432 R CA 0.450 56.555 56.100 0.008 0.000 1.047 432 R CB 0.204 30.507 30.300 0.005 0.000 0.955 432 R HN 0.176 nan 8.270 nan 0.000 0.481 433 L N 2.040 123.290 121.223 0.044 0.000 2.457 433 L HA 0.387 4.727 4.340 0.000 0.000 0.252 433 L C -2.517 174.451 176.870 0.163 0.000 1.132 433 L CA -2.153 52.768 54.840 0.135 0.000 0.938 433 L CB 1.335 43.490 42.059 0.160 0.000 1.246 433 L HN -0.313 nan 8.230 nan 0.000 0.476 434 P HA 0.114 nan 4.420 nan 0.000 0.265 434 P C 1.042 178.530 177.300 0.314 0.000 1.193 434 P CA 0.681 63.860 63.100 0.132 0.000 0.765 434 P CB 0.941 32.689 31.700 0.079 0.000 0.823 435 G N 1.825 110.753 108.800 0.214 0.000 2.157 435 G HA2 -0.226 3.734 3.960 0.000 0.000 0.248 435 G HA3 -0.226 3.734 3.960 0.000 0.000 0.248 435 G C -0.237 174.682 174.900 0.031 0.000 0.979 435 G CA -0.412 44.899 45.100 0.352 0.000 0.650 435 G HN 0.535 nan 8.290 nan 0.000 0.529 436 L N 0.892 121.921 121.223 -0.323 0.000 2.313 436 L HA 0.748 5.088 4.340 0.000 0.000 0.283 436 L C -0.126 176.321 176.870 -0.705 0.000 1.013 436 L CA -0.879 53.632 54.840 -0.549 0.000 0.816 436 L CB 1.287 43.032 42.059 -0.523 0.000 1.236 436 L HN 0.308 nan 8.230 nan 0.000 0.419 437 H N 3.728 122.679 119.070 -0.198 0.000 2.895 437 H HA 0.621 5.177 4.556 0.000 0.000 0.373 437 H C -1.082 174.140 175.328 -0.177 0.000 1.174 437 H CA -0.581 55.373 56.048 -0.157 0.000 1.144 437 H CB 2.152 31.849 29.762 -0.109 0.000 1.793 437 H HN 0.371 nan 8.280 nan 0.000 0.551 438 L N 3.717 124.882 121.223 -0.098 0.000 2.386 438 L HA 0.590 4.930 4.340 0.000 0.000 0.271 438 L C -0.651 176.110 176.870 -0.182 0.000 0.993 438 L CA -1.012 53.703 54.840 -0.208 0.000 0.819 438 L CB 1.755 43.509 42.059 -0.507 0.000 1.294 438 L HN 0.526 nan 8.230 nan 0.000 0.414 439 I N -0.373 120.184 120.570 -0.022 0.000 3.279 439 I HA 1.035 5.205 4.170 0.000 0.000 0.315 439 I C -0.207 176.102 176.117 0.319 0.000 1.187 439 I CA -0.696 60.666 61.300 0.104 0.000 0.953 439 I CB 1.724 39.759 38.000 0.059 0.000 1.279 439 I HN 0.684 nan 8.210 nan 0.000 0.465 440 G N 2.373 111.358 108.800 0.308 0.000 2.340 440 G HA2 -0.051 3.909 3.960 0.000 0.000 0.527 440 G HA3 -0.051 3.909 3.960 0.000 0.000 0.527 440 G C -0.187 174.818 174.900 0.176 0.000 1.381 440 G CA -0.082 45.155 45.100 0.229 0.000 1.001 440 G HN 1.154 nan 8.290 nan 0.000 0.626 441 N N -0.296 118.452 118.700 0.079 0.000 2.520 441 N HA 0.083 4.823 4.740 0.000 0.000 0.185 441 N C 2.092 177.629 175.510 0.045 0.000 1.068 441 N CA 2.043 55.123 53.050 0.050 0.000 0.911 441 N CB -0.369 38.111 38.487 -0.011 0.000 0.961 441 N HN 1.230 nan 8.380 nan 0.000 0.446 442 A N -0.383 122.357 122.820 -0.132 0.000 2.015 442 A HA -0.018 4.302 4.320 0.000 0.000 0.219 442 A C 1.264 178.692 177.584 -0.260 0.000 1.163 442 A CA 0.728 52.590 52.037 -0.292 0.000 0.646 442 A CB -0.457 18.201 19.000 -0.570 0.000 0.806 442 A HN 0.385 nan 8.150 nan 0.000 0.448 443 Y N -1.181 119.210 120.300 0.153 0.000 2.382 443 Y HA 0.262 4.812 4.550 0.000 0.000 0.263 443 Y C 1.332 177.259 175.900 0.044 0.000 1.103 443 Y CA 0.616 58.741 58.100 0.042 0.000 1.223 443 Y CB 0.130 38.596 38.460 0.010 0.000 1.124 443 Y HN -0.056 nan 8.280 nan 0.000 0.501 444 K N 0.265 120.848 120.400 0.304 0.000 2.861 444 K HA 0.489 4.809 4.320 0.000 0.000 0.210 444 K C -0.729 176.021 176.600 0.251 0.000 1.112 444 K CA -0.035 56.387 56.287 0.226 0.000 1.076 444 K CB 0.940 33.522 32.500 0.137 0.000 0.853 444 K HN 0.485 nan 8.250 nan 0.000 0.463 445 G N -0.541 108.480 108.800 0.369 0.000 2.277 445 G HA2 -0.033 3.927 3.960 0.000 0.000 0.272 445 G HA3 -0.033 3.927 3.960 0.000 0.000 0.272 445 G C -0.238 174.713 174.900 0.085 0.000 1.692 445 G CA -0.961 44.250 45.100 0.186 0.000 0.926 445 G HN -0.084 nan 8.290 nan 0.000 0.720 446 V N 1.538 121.401 119.914 -0.086 0.000 2.922 446 V HA 0.381 4.501 4.120 0.000 0.000 0.242 446 V C 2.121 178.126 176.094 -0.149 0.000 1.094 446 V CA 1.746 63.944 62.300 -0.170 0.000 1.106 446 V CB -0.102 31.523 31.823 -0.330 0.000 0.799 446 V HN 1.195 nan 8.190 nan 0.000 0.474 447 G N -0.550 108.159 108.800 -0.151 0.000 2.606 447 G HA2 0.310 4.270 3.960 0.000 0.000 0.252 447 G HA3 0.310 4.270 3.960 0.000 0.000 0.252 447 G C 0.670 175.532 174.900 -0.064 0.000 1.206 447 G CA -0.371 44.659 45.100 -0.116 0.000 0.861 447 G HN 0.065 nan 8.290 nan 0.000 0.561 448 L N 1.026 122.221 121.223 -0.046 0.000 1.990 448 L HA -0.174 4.166 4.340 0.000 0.000 0.213 448 L C 2.771 179.613 176.870 -0.047 0.000 1.072 448 L CA 1.647 56.459 54.840 -0.046 0.000 0.755 448 L CB -0.778 41.257 42.059 -0.040 0.000 0.889 448 L HN 0.523 nan 8.230 nan 0.000 0.432 449 N N -0.202 118.487 118.700 -0.018 0.000 2.060 449 N HA -0.210 4.530 4.740 0.000 0.000 0.195 449 N C 1.531 177.033 175.510 -0.013 0.000 1.028 449 N CA 1.692 54.737 53.050 -0.007 0.000 0.861 449 N CB -0.504 38.007 38.487 0.040 0.000 1.029 449 N HN 0.408 nan 8.380 nan 0.000 0.428 450 D N 0.260 120.652 120.400 -0.012 0.000 2.117 450 D HA -0.049 4.591 4.640 0.000 0.000 0.198 450 D C 2.107 178.410 176.300 0.004 0.000 0.982 450 D CA 0.630 54.630 54.000 -0.000 0.000 0.828 450 D CB -0.510 40.293 40.800 0.004 0.000 0.967 450 D HN 0.250 nan 8.370 nan 0.000 0.464 451 C N 0.634 119.932 119.300 -0.004 0.000 2.432 451 C HA -0.066 4.394 4.460 0.000 0.000 0.277 451 C C 2.894 177.875 174.990 -0.015 0.000 1.249 451 C CA 0.019 59.038 59.018 0.002 0.000 1.725 451 C CB -0.979 26.757 27.740 -0.007 0.000 2.028 451 C HN 0.322 nan 8.230 nan 0.000 0.477 452 I N 0.562 121.112 120.570 -0.034 0.000 2.179 452 I HA -0.220 3.950 4.170 0.000 0.000 0.242 452 I C 2.843 178.930 176.117 -0.049 0.000 1.088 452 I CA 1.630 62.902 61.300 -0.047 0.000 1.357 452 I CB -0.568 37.392 38.000 -0.066 0.000 1.051 452 I HN 0.330 nan 8.210 nan 0.000 0.409 453 R N 1.196 121.674 120.500 -0.037 0.000 2.070 453 R HA -0.190 4.151 4.340 0.000 0.000 0.232 453 R C 2.199 178.468 176.300 -0.051 0.000 1.138 453 R CA 1.958 58.035 56.100 -0.039 0.000 0.936 453 R CB -0.235 30.055 30.300 -0.017 0.000 0.839 453 R HN 0.333 nan 8.270 nan 0.000 0.429 454 N N 0.542 119.226 118.700 -0.026 0.000 2.149 454 N HA -0.175 4.566 4.740 0.000 0.000 0.188 454 N C 1.631 177.113 175.510 -0.047 0.000 1.019 454 N CA 1.500 54.538 53.050 -0.021 0.000 0.857 454 N CB -0.341 38.158 38.487 0.019 0.000 0.997 454 N HN 0.378 nan 8.380 nan 0.000 0.426 455 A N 1.111 123.901 122.820 -0.051 0.000 1.877 455 A HA -0.006 4.315 4.320 0.000 0.000 0.216 455 A C 2.417 179.909 177.584 -0.152 0.000 1.186 455 A CA 2.016 54.013 52.037 -0.066 0.000 0.620 455 A CB -0.845 18.133 19.000 -0.037 0.000 0.822 455 A HN 0.326 nan 8.150 nan 0.000 0.443 456 A N -1.205 121.472 122.820 -0.240 0.000 1.902 456 A HA -0.185 4.135 4.320 0.000 0.000 0.217 456 A C 2.119 179.461 177.584 -0.403 0.000 1.181 456 A CA 1.946 53.647 52.037 -0.560 0.000 0.623 456 A CB -0.567 18.142 19.000 -0.485 0.000 0.818 456 A HN 0.528 nan 8.150 nan 0.000 0.443 457 Q N -0.770 118.909 119.800 -0.201 0.000 2.135 457 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 457 Q C 2.055 177.994 176.000 -0.101 0.000 0.981 457 Q CA 1.344 57.077 55.803 -0.117 0.000 0.856 457 Q CB -0.257 28.440 28.738 -0.068 0.000 0.902 457 Q HN 0.623 nan 8.270 nan 0.000 0.425 458 L N -0.333 120.826 121.223 -0.106 0.000 2.027 458 L HA -0.107 4.233 4.340 0.000 0.000 0.206 458 L C 1.964 178.767 176.870 -0.112 0.000 1.074 458 L CA 2.011 56.789 54.840 -0.104 0.000 0.745 458 L CB -1.042 40.961 42.059 -0.094 0.000 0.898 458 L HN 0.296 nan 8.230 nan 0.000 0.433 459 A N -0.196 122.566 122.820 -0.097 0.000 1.902 459 A HA -0.236 4.084 4.320 0.000 0.000 0.217 459 A C 1.849 179.453 177.584 0.035 0.000 1.181 459 A CA 1.835 53.863 52.037 -0.015 0.000 0.623 459 A CB -0.583 18.469 19.000 0.088 0.000 0.818 459 A HN 0.488 nan 8.150 nan 0.000 0.443 460 D N 0.152 120.565 120.400 0.022 0.000 2.084 460 D HA -0.072 4.569 4.640 0.000 0.000 0.194 460 D C 2.222 178.524 176.300 0.004 0.000 0.990 460 D CA 1.726 55.755 54.000 0.048 0.000 0.826 460 D CB -0.545 40.278 40.800 0.038 0.000 0.971 460 D HN 0.410 nan 8.370 nan 0.000 0.453 461 A N 0.255 123.058 122.820 -0.028 0.000 2.019 461 A HA -0.120 4.200 4.320 0.000 0.000 0.219 461 A C 2.109 179.664 177.584 -0.048 0.000 1.164 461 A CA 0.767 52.784 52.037 -0.033 0.000 0.644 461 A CB -0.530 18.447 19.000 -0.039 0.000 0.805 461 A HN 0.174 nan 8.150 nan 0.000 0.449 462 L N -0.751 120.424 121.223 -0.080 0.000 2.217 462 L HA 0.024 4.364 4.340 0.000 0.000 0.211 462 L C 1.272 178.116 176.870 -0.043 0.000 1.107 462 L CA 1.181 55.956 54.840 -0.108 0.000 0.783 462 L CB -0.052 41.916 42.059 -0.152 0.000 0.919 462 L HN 0.231 nan 8.230 nan 0.000 0.442 463 V N 0.763 120.666 119.914 -0.018 0.000 2.356 463 V HA 0.690 4.810 4.120 0.000 0.000 0.258 463 V C 0.202 176.295 176.094 -0.001 0.000 1.065 463 V CA 0.064 62.361 62.300 -0.005 0.000 0.935 463 V CB -0.078 31.745 31.823 0.000 0.000 1.061 463 V HN 0.232 nan 8.190 nan 0.000 0.484 464 A N 0.000 122.822 122.820 0.003 0.000 2.254 464 A HA 0.000 4.320 4.320 0.000 0.000 0.244 464 A CA 0.000 52.042 52.037 0.009 0.000 0.836 464 A CB 0.000 19.009 19.000 0.016 0.000 0.831 464 A HN 0.000 nan 8.150 nan 0.000 0.486