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 3aes_1_A DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KXQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVXIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAXVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRXLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFXFPDSQLE DATA SEQUENCE IPLARFLARE CGXKTTEIAT PFLHKAIXAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLNG 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.348 174.700 -0.586 0.000 1.109 7 T CA 0.000 61.918 62.100 -0.304 0.000 1.349 7 T CB 0.000 68.659 68.868 -0.348 0.000 0.612 8 F N 1.132 121.072 119.950 -0.016 0.000 2.547 8 F HA 0.801 5.328 4.527 -0.000 0.000 0.316 8 F C 0.731 176.523 175.800 -0.013 0.000 1.121 8 F CA -0.391 57.599 58.000 -0.016 0.000 0.911 8 F CB 2.416 41.409 39.000 -0.013 0.000 1.179 8 F HN 0.594 nan 8.300 nan 0.000 0.443 9 G N 1.066 109.957 108.800 0.152 0.000 2.952 9 G HA2 0.084 4.044 3.960 -0.000 0.000 0.431 9 G HA3 0.084 4.044 3.960 -0.000 0.000 0.431 9 G C -0.938 173.984 174.900 0.036 0.000 1.325 9 G CA -1.091 44.058 45.100 0.083 0.000 1.146 9 G HN 0.825 nan 8.290 nan 0.000 0.581 10 C N 2.618 121.937 119.300 0.032 0.000 2.976 10 C HA 0.331 4.791 4.460 -0.000 0.000 0.274 10 C C 2.373 177.367 174.990 0.008 0.000 1.487 10 C CA 0.535 59.558 59.018 0.009 0.000 1.789 10 C CB -0.855 26.886 27.740 0.002 0.000 2.771 10 C HN 0.869 nan 8.230 nan 0.000 0.551 11 T N 1.057 115.620 114.554 0.014 0.000 2.665 11 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 11 T C 0.931 175.632 174.700 0.001 0.000 1.035 11 T CA 1.724 63.829 62.100 0.010 0.000 1.151 11 T CB -0.156 68.719 68.868 0.012 0.000 0.862 11 T HN 0.539 nan 8.240 nan 0.000 0.438 12 D N 1.170 121.569 120.400 -0.002 0.000 2.427 12 D HA 0.211 4.851 4.640 -0.000 0.000 0.224 12 D C -0.142 176.151 176.300 -0.012 0.000 1.157 12 D CA 0.034 54.030 54.000 -0.007 0.000 0.828 12 D CB 0.219 41.015 40.800 -0.006 0.000 0.974 12 D HN 0.193 nan 8.370 nan 0.000 0.498 13 S N 2.761 118.452 115.700 -0.014 0.000 2.523 13 S HA 0.250 4.720 4.470 -0.000 0.000 0.275 13 S C -2.102 172.484 174.600 -0.024 0.000 1.281 13 S CA -0.953 57.234 58.200 -0.021 0.000 1.050 13 S CB 1.189 64.374 63.200 -0.025 0.000 0.937 13 S HN 0.127 nan 8.310 nan 0.000 0.492 14 P HA 0.100 nan 4.420 nan 0.000 0.270 14 P C -0.440 176.840 177.300 -0.032 0.000 1.242 14 P CA -0.200 62.884 63.100 -0.026 0.000 0.768 14 P CB 0.527 32.213 31.700 -0.023 0.000 0.820 15 V N 4.760 124.653 119.914 -0.035 0.000 2.439 15 V HA 0.311 4.431 4.120 -0.000 0.000 0.282 15 V C 0.457 176.530 176.094 -0.035 0.000 1.039 15 V CA -1.037 61.238 62.300 -0.041 0.000 0.913 15 V CB 0.965 32.759 31.823 -0.049 0.000 0.983 15 V HN 0.571 nan 8.190 nan 0.000 0.460 16 R N 6.352 126.830 120.500 -0.036 0.000 2.370 16 R HA 0.309 4.649 4.340 -0.000 0.000 0.309 16 R C -0.450 175.838 176.300 -0.019 0.000 1.059 16 R CA -0.356 55.729 56.100 -0.025 0.000 0.981 16 R CB 0.365 30.648 30.300 -0.027 0.000 0.972 16 R HN 0.772 nan 8.270 nan 0.000 0.437 17 R N 4.300 124.795 120.500 -0.009 0.000 2.233 17 R HA 0.153 4.493 4.340 -0.000 0.000 0.334 17 R C -0.690 175.618 176.300 0.013 0.000 1.037 17 R CA -0.309 55.791 56.100 0.001 0.000 0.920 17 R CB 1.087 31.388 30.300 0.001 0.000 1.137 17 R HN 0.684 nan 8.270 nan 0.000 0.492 18 E N 2.320 122.533 120.200 0.021 0.000 2.212 18 E HA 0.412 4.762 4.350 -0.000 0.000 0.268 18 E C -0.873 175.751 176.600 0.041 0.000 0.902 18 E CA -0.691 55.726 56.400 0.029 0.000 0.779 18 E CB 1.984 31.701 29.700 0.028 0.000 1.172 18 E HN 0.277 nan 8.360 nan 0.000 0.409 19 R N 2.011 122.534 120.500 0.039 0.000 2.771 19 R HA 0.713 5.053 4.340 -0.000 0.000 0.274 19 R C -0.724 175.599 176.300 0.038 0.000 0.987 19 R CA -0.057 56.068 56.100 0.042 0.000 0.908 19 R CB 1.982 32.305 30.300 0.038 0.000 1.213 19 R HN 0.753 nan 8.270 nan 0.000 0.468 20 G N 1.227 110.050 108.800 0.038 0.000 2.302 20 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.276 20 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.276 20 G C -1.464 173.455 174.900 0.032 0.000 1.316 20 G CA -0.921 44.199 45.100 0.033 0.000 0.988 20 G HN 0.501 nan 8.290 nan 0.000 0.479 21 Q N 0.675 120.491 119.800 0.027 0.000 2.304 21 Q HA 0.166 4.505 4.340 -0.000 0.000 0.315 21 Q C -0.213 175.801 176.000 0.024 0.000 1.075 21 Q CA 0.938 56.752 55.803 0.018 0.000 0.988 21 Q CB 0.209 28.955 28.738 0.013 0.000 1.146 21 Q HN 0.362 nan 8.270 nan 0.000 0.383 22 K N 1.268 121.674 120.400 0.010 0.000 2.378 22 K HA 0.541 4.861 4.320 -0.000 0.000 0.252 22 K C -1.184 175.394 176.600 -0.037 0.000 0.931 22 K CA -0.612 55.680 56.287 0.009 0.000 0.794 22 K CB 2.004 34.518 32.500 0.023 0.000 1.181 22 K HN 0.528 nan 8.250 nan 0.000 0.425 23 A N 2.665 125.453 122.820 -0.053 0.000 2.801 23 A HA 0.462 4.782 4.320 -0.000 0.000 0.344 23 A C -0.351 177.125 177.584 -0.180 0.000 1.322 23 A CA -0.531 51.422 52.037 -0.140 0.000 0.913 23 A CB -0.285 18.618 19.000 -0.161 0.000 1.140 23 A HN 0.454 nan 8.150 nan 0.000 0.487 24 V N -2.111 117.679 119.914 -0.206 0.000 3.114 24 V HA 0.826 4.946 4.120 -0.000 0.000 0.308 24 V C -0.831 175.093 176.094 -0.284 0.000 1.168 24 V CA -1.292 60.894 62.300 -0.190 0.000 1.015 24 V CB 1.308 33.136 31.823 0.007 0.000 1.050 24 V HN 0.355 nan 8.190 nan 0.000 0.433 25 F N 1.814 121.706 119.950 -0.098 0.000 2.371 25 F HA 0.672 5.199 4.527 -0.000 0.000 0.329 25 F C 1.300 177.108 175.800 0.014 0.000 1.107 25 F CA -0.012 57.925 58.000 -0.104 0.000 1.137 25 F CB 0.839 39.663 39.000 -0.294 0.000 1.214 25 F HN 1.033 nan 8.300 nan 0.000 0.536 26 C N 0.410 119.839 119.300 0.216 0.000 2.553 26 C HA 0.559 5.019 4.460 -0.000 0.000 0.345 26 C C 1.822 176.910 174.990 0.164 0.000 1.369 26 C CA -0.177 58.929 59.018 0.147 0.000 2.447 26 C CB 0.120 27.909 27.740 0.083 0.000 2.358 26 C HN 1.028 nan 8.230 nan 0.000 0.676 27 G N -0.289 108.571 108.800 0.100 0.000 2.534 27 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.217 27 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.217 27 G C 1.120 176.008 174.900 -0.021 0.000 1.128 27 G CA 0.366 45.501 45.100 0.058 0.000 0.784 27 G HN 0.671 nan 8.290 nan 0.000 0.542 28 L N 1.483 122.687 121.223 -0.031 0.000 2.081 28 L HA -0.094 4.245 4.340 -0.000 0.000 0.212 28 L C 3.060 179.800 176.870 -0.216 0.000 1.080 28 L CA 1.995 56.760 54.840 -0.125 0.000 0.754 28 L CB -1.067 40.933 42.059 -0.099 0.000 0.893 28 L HN 0.189 nan 8.230 nan 0.000 0.433 29 T N -1.475 113.014 114.554 -0.108 0.000 2.822 29 T HA -0.203 4.147 4.350 -0.000 0.000 0.270 29 T C 2.015 176.588 174.700 -0.212 0.000 1.064 29 T CA 1.386 63.422 62.100 -0.108 0.000 1.131 29 T CB -0.468 68.419 68.868 0.031 0.000 0.858 29 T HN 0.596 nan 8.240 nan 0.000 0.483 30 S N 1.389 116.827 115.700 -0.438 0.000 2.428 30 S HA 0.009 4.479 4.470 -0.000 0.000 0.230 30 S C 2.015 175.806 174.600 -1.347 0.000 1.014 30 S CA 0.364 57.803 58.200 -1.268 0.000 0.957 30 S CB -0.780 61.803 63.200 -1.029 0.000 0.784 30 S HN 0.498 nan 8.310 nan 0.000 0.499 31 I N 1.691 121.719 120.570 -0.904 0.000 2.248 31 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 31 I C 2.447 178.114 176.117 -0.750 0.000 1.107 31 I CA 1.025 61.717 61.300 -1.013 0.000 1.373 31 I CB -0.602 36.853 38.000 -0.910 0.000 1.055 31 I HN 0.195 nan 8.210 nan 0.000 0.418 32 V N 0.668 120.233 119.914 -0.582 0.000 2.282 32 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 32 V C 2.152 178.273 176.094 0.045 0.000 1.057 32 V CA 2.659 64.831 62.300 -0.214 0.000 1.032 32 V CB -0.822 30.903 31.823 -0.163 0.000 0.645 32 V HN 0.810 nan 8.190 nan 0.000 0.447 33 W N -0.599 120.639 121.300 -0.103 0.000 2.539 33 W HA 0.147 4.807 4.660 -0.000 0.000 0.281 33 W C 1.805 178.225 176.519 -0.166 0.000 1.220 33 W CA 0.428 57.705 57.345 -0.112 0.000 1.332 33 W CB -1.017 28.407 29.460 -0.060 0.000 1.095 33 W HN 0.131 nan 8.180 nan 0.000 0.571 34 L N 2.088 122.848 121.223 -0.771 0.000 2.017 34 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 34 L C 2.978 179.673 176.870 -0.290 0.000 1.073 34 L CA 2.727 57.202 54.840 -0.609 0.000 0.745 34 L CB -1.514 39.990 42.059 -0.925 0.000 0.894 34 L HN 0.485 nan 8.230 nan 0.000 0.432 35 H N -1.956 116.889 119.070 -0.373 0.000 2.421 35 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 35 H C 2.078 177.449 175.328 0.073 0.000 1.087 35 H CA 1.258 57.296 56.048 -0.017 0.000 1.330 35 H CB -0.329 29.458 29.762 0.042 0.000 1.388 35 H HN 0.231 nan 8.280 nan 0.000 0.526 36 R N 0.365 120.443 120.500 -0.704 0.000 2.127 36 R HA -0.055 4.285 4.340 -0.000 0.000 0.238 36 R C 0.952 177.177 176.300 -0.125 0.000 1.134 36 R CA 0.963 56.801 56.100 -0.436 0.000 0.975 36 R CB -0.135 29.984 30.300 -0.302 0.000 0.865 36 R HN 0.274 nan 8.270 nan 0.000 0.447 40 D N 0.431 120.909 120.400 0.130 0.000 2.417 40 D HA 0.277 4.917 4.640 -0.000 0.000 0.207 40 D C -0.022 176.354 176.300 0.127 0.000 1.075 40 D CA 0.395 54.459 54.000 0.107 0.000 0.851 40 D CB 0.728 41.574 40.800 0.077 0.000 0.976 40 D HN 0.298 nan 8.370 nan 0.000 0.505 41 A N 0.007 122.944 122.820 0.195 0.000 2.294 41 A HA 0.587 4.907 4.320 -0.000 0.000 0.330 41 A C -1.041 176.704 177.584 0.268 0.000 1.133 41 A CA -0.495 51.666 52.037 0.207 0.000 0.836 41 A CB 0.802 19.985 19.000 0.305 0.000 1.190 41 A HN 0.118 nan 8.150 nan 0.000 0.492 42 F N 0.313 120.278 119.950 0.025 0.000 2.532 42 F HA 0.717 5.244 4.527 -0.000 0.000 0.321 42 F C -1.518 174.265 175.800 -0.028 0.000 1.089 42 F CA -1.070 56.981 58.000 0.084 0.000 0.926 42 F CB 1.666 40.687 39.000 0.035 0.000 1.168 42 F HN 0.419 nan 8.300 nan 0.000 0.459 43 F N 6.779 126.608 119.950 -0.201 0.000 2.347 43 F HA 0.443 4.969 4.527 -0.000 0.000 0.366 43 F C -0.823 174.989 175.800 0.020 0.000 1.107 43 F CA -0.817 57.196 58.000 0.021 0.000 1.058 43 F CB 1.430 40.379 39.000 -0.084 0.000 1.236 43 F HN 0.225 nan 8.300 nan 0.000 0.456 44 L N 5.573 127.006 121.223 0.350 0.000 2.283 44 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 44 L C -0.729 176.226 176.870 0.142 0.000 1.033 44 L CA -0.508 54.521 54.840 0.316 0.000 0.848 44 L CB 0.687 42.940 42.059 0.323 0.000 1.226 44 L HN 0.298 nan 8.230 nan 0.000 0.429 45 V N 5.950 125.921 119.914 0.096 0.000 2.521 45 V HA 0.152 4.271 4.120 -0.000 0.000 0.286 45 V C 0.198 176.307 176.094 0.023 0.000 1.034 45 V CA -0.396 61.914 62.300 0.017 0.000 1.045 45 V CB 1.196 33.013 31.823 -0.010 0.000 0.974 45 V HN 0.475 nan 8.190 nan 0.000 0.480 46 V N 5.777 125.687 119.914 -0.007 0.000 2.334 46 V HA 0.805 4.925 4.120 -0.000 0.000 0.267 46 V C 0.713 176.798 176.094 -0.015 0.000 1.040 46 V CA 0.605 62.899 62.300 -0.011 0.000 0.866 46 V CB 0.329 32.134 31.823 -0.031 0.000 1.019 46 V HN 1.099 nan 8.190 nan 0.000 0.468 47 G N 3.385 112.182 108.800 -0.004 0.000 2.664 47 G HA2 0.610 4.570 3.960 -0.000 0.000 0.303 47 G HA3 0.610 4.570 3.960 -0.000 0.000 0.303 47 G C -0.499 174.403 174.900 0.003 0.000 1.243 47 G CA 0.175 45.273 45.100 -0.004 0.000 0.826 47 G HN 0.732 nan 8.290 nan 0.000 0.498 48 S N -1.058 114.645 115.700 0.006 0.000 2.719 48 S HA 0.407 4.877 4.470 -0.000 0.000 0.285 48 S C 1.400 176.009 174.600 0.016 0.000 1.137 48 S CA 0.062 58.266 58.200 0.007 0.000 1.012 48 S CB 1.815 65.017 63.200 0.003 0.000 1.134 48 S HN 0.774 nan 8.310 nan 0.000 0.544 49 R N -0.255 120.252 120.500 0.011 0.000 2.159 49 R HA -0.081 4.259 4.340 -0.000 0.000 0.237 49 R C 1.903 178.224 176.300 0.035 0.000 1.131 49 R CA 1.891 58.001 56.100 0.017 0.000 0.982 49 R CB -1.124 29.170 30.300 -0.009 0.000 0.868 49 R HN 0.831 nan 8.270 nan 0.000 0.453 50 T N -0.119 114.449 114.554 0.024 0.000 2.652 50 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 50 T C 1.961 176.710 174.700 0.082 0.000 1.039 50 T CA 1.603 63.733 62.100 0.050 0.000 1.153 50 T CB -0.401 68.483 68.868 0.027 0.000 0.863 50 T HN 0.420 nan 8.240 nan 0.000 0.428 51 C N 1.763 121.091 119.300 0.046 0.000 2.429 51 C HA 0.068 4.528 4.460 -0.000 0.000 0.277 51 C C 3.245 178.255 174.990 0.033 0.000 1.262 51 C CA 0.233 59.268 59.018 0.028 0.000 1.733 51 C CB -1.556 26.189 27.740 0.008 0.000 2.010 51 C HN 0.657 nan 8.230 nan 0.000 0.483 52 A N -0.493 122.361 122.820 0.056 0.000 1.902 52 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 52 A C 2.111 179.753 177.584 0.096 0.000 1.181 52 A CA 1.846 53.925 52.037 0.070 0.000 0.623 52 A CB -1.140 17.904 19.000 0.074 0.000 0.818 52 A HN 0.819 nan 8.150 nan 0.000 0.443 53 H N -0.784 118.287 119.070 0.001 0.000 2.353 53 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 53 H C 2.102 177.428 175.328 -0.004 0.000 1.090 53 H CA 1.746 57.794 56.048 -0.000 0.000 1.327 53 H CB -0.031 29.732 29.762 0.002 0.000 1.383 53 H HN 0.419 nan 8.280 nan 0.000 0.508 54 L N 0.858 122.097 121.223 0.026 0.000 2.017 54 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 54 L C 2.384 179.201 176.870 -0.090 0.000 1.073 54 L CA 1.319 56.141 54.840 -0.031 0.000 0.745 54 L CB -0.617 41.456 42.059 0.022 0.000 0.894 54 L HN 0.225 nan 8.230 nan 0.000 0.432 55 L N -0.676 120.490 121.223 -0.095 0.000 2.046 55 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 55 L C 2.754 179.564 176.870 -0.099 0.000 1.077 55 L CA 1.772 56.509 54.840 -0.172 0.000 0.747 55 L CB -0.568 41.368 42.059 -0.205 0.000 0.896 55 L HN 0.507 nan 8.230 nan 0.000 0.432 56 Q N -0.187 119.578 119.800 -0.058 0.000 2.030 56 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 56 Q C 2.279 178.197 176.000 -0.136 0.000 0.986 56 Q CA 2.049 57.801 55.803 -0.084 0.000 0.843 56 Q CB -0.109 28.580 28.738 -0.081 0.000 0.904 56 Q HN 0.523 nan 8.270 nan 0.000 0.420 57 A N 0.683 123.393 122.820 -0.183 0.000 1.858 57 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 57 A C 2.293 179.807 177.584 -0.117 0.000 1.190 57 A CA 1.883 53.821 52.037 -0.165 0.000 0.617 57 A CB -1.164 17.721 19.000 -0.192 0.000 0.827 57 A HN 0.572 nan 8.150 nan 0.000 0.443 58 A N -0.438 122.304 122.820 -0.130 0.000 1.933 58 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 58 A C 2.404 179.916 177.584 -0.121 0.000 1.175 58 A CA 1.989 53.929 52.037 -0.160 0.000 0.628 58 A CB -0.822 18.034 19.000 -0.240 0.000 0.814 58 A HN 1.082 nan 8.150 nan 0.000 0.444 59 A N -1.311 121.451 122.820 -0.098 0.000 2.067 59 A HA 0.377 4.697 4.320 -0.000 0.000 0.217 59 A C 2.154 179.700 177.584 -0.064 0.000 1.156 59 A CA 1.522 53.534 52.037 -0.043 0.000 0.683 59 A CB -1.239 17.809 19.000 0.079 0.000 0.808 59 A HN 1.776 nan 8.150 nan 0.000 0.455 60 G N -0.797 107.952 108.800 -0.085 0.000 2.690 60 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.334 60 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.334 60 G C 0.788 175.645 174.900 -0.070 0.000 1.250 60 G CA 0.878 45.939 45.100 -0.065 0.000 0.994 60 G HN 0.921 nan 8.290 nan 0.000 0.549 64 F N 1.190 121.126 119.950 -0.024 0.000 2.765 64 F HA 0.525 5.052 4.527 -0.000 0.000 0.302 64 F C 1.838 177.624 175.800 -0.022 0.000 1.111 64 F CA 0.715 58.703 58.000 -0.021 0.000 1.359 64 F CB -0.224 38.770 39.000 -0.010 0.000 1.097 64 F HN 0.108 nan 8.300 nan 0.000 0.577 65 A N -0.076 122.795 122.820 0.086 0.000 2.610 65 A HA 0.270 4.590 4.320 -0.000 0.000 0.286 65 A C 0.530 178.120 177.584 0.010 0.000 1.306 65 A CA -0.239 51.834 52.037 0.060 0.000 0.942 65 A CB -0.868 18.172 19.000 0.065 0.000 1.112 65 A HN 0.376 nan 8.150 nan 0.000 0.527 66 E N 0.455 120.638 120.200 -0.028 0.000 2.222 66 E HA -0.147 4.203 4.350 -0.000 0.000 0.189 66 E C -2.132 174.401 176.600 -0.111 0.000 1.415 66 E CA 0.362 56.726 56.400 -0.061 0.000 0.689 66 E CB -1.350 28.349 29.700 -0.002 0.000 1.107 66 E HN 0.659 nan 8.360 nan 0.000 0.350 67 P HA 0.075 nan 4.420 nan 0.000 0.274 67 P C -0.227 176.762 177.300 -0.518 0.000 1.237 67 P CA -0.125 62.728 63.100 -0.412 0.000 0.793 67 P CB 0.619 31.812 31.700 -0.845 0.000 0.977 68 R N 1.552 121.832 120.500 -0.366 0.000 4.609 68 R HA 0.287 4.627 4.340 -0.000 0.000 0.235 68 R C 0.005 175.786 176.300 -0.865 0.000 1.836 68 R CA 0.005 55.958 56.100 -0.246 0.000 1.564 68 R CB -0.951 29.454 30.300 0.176 0.000 1.382 68 R HN 0.528 nan 8.270 nan 0.000 0.776 69 F N -2.905 116.436 119.950 -1.016 0.000 2.754 69 F HA 0.878 5.405 4.527 -0.000 0.000 0.320 69 F C -0.162 175.317 175.800 -0.535 0.000 1.156 69 F CA -1.157 56.205 58.000 -1.063 0.000 0.950 69 F CB 1.297 39.948 39.000 -0.580 0.000 1.388 69 F HN 0.003 nan 8.300 nan 0.000 0.485 70 G N -0.283 108.634 108.800 0.196 0.000 2.325 70 G HA2 0.491 4.451 3.960 -0.000 0.000 0.297 70 G HA3 0.491 4.451 3.960 -0.000 0.000 0.297 70 G C -1.925 173.123 174.900 0.247 0.000 1.448 70 G CA -0.261 45.006 45.100 0.278 0.000 0.838 70 G HN 1.236 nan 8.290 nan 0.000 0.579 71 T N -1.604 113.055 114.554 0.174 0.000 2.841 71 T HA 0.746 5.095 4.350 -0.000 0.000 0.283 71 T C 0.214 174.967 174.700 0.090 0.000 1.000 71 T CA 0.444 62.612 62.100 0.115 0.000 0.977 71 T CB 1.642 70.551 68.868 0.070 0.000 0.979 71 T HN 2.022 nan 8.240 nan 0.000 0.446 72 A N 4.088 126.950 122.820 0.069 0.000 2.539 72 A HA 0.537 4.857 4.320 -0.000 0.000 0.306 72 A C 0.794 178.393 177.584 0.025 0.000 1.392 72 A CA -0.606 51.455 52.037 0.040 0.000 1.060 72 A CB -0.990 18.025 19.000 0.024 0.000 1.134 72 A HN 1.614 nan 8.150 nan 0.000 0.542 73 V N 2.612 122.542 119.914 0.025 0.000 2.421 73 V HA 0.269 4.389 4.120 -0.000 0.000 0.271 73 V C 0.181 176.279 176.094 0.007 0.000 1.031 73 V CA -0.865 61.445 62.300 0.016 0.000 1.032 73 V CB -0.339 31.495 31.823 0.019 0.000 1.009 73 V HN 0.513 nan 8.190 nan 0.000 0.477 74 L N 5.201 126.425 121.223 0.001 0.000 2.601 74 L HA 0.177 4.517 4.340 -0.000 0.000 0.277 74 L C 0.763 177.632 176.870 -0.002 0.000 1.219 74 L CA 0.842 55.679 54.840 -0.004 0.000 0.915 74 L CB -0.868 41.187 42.059 -0.007 0.000 1.160 74 L HN 0.833 nan 8.230 nan 0.000 0.494 75 E N 1.975 122.173 120.200 -0.002 0.000 2.243 75 E HA 0.159 4.509 4.350 -0.000 0.000 0.260 75 E C 0.487 177.087 176.600 -0.001 0.000 0.985 75 E CA -0.648 55.751 56.400 -0.001 0.000 0.858 75 E CB 1.063 30.764 29.700 0.000 0.000 1.210 75 E HN 0.545 nan 8.360 nan 0.000 0.411 76 E N 0.837 121.037 120.200 -0.001 0.000 2.130 76 E HA -0.301 4.048 4.350 -0.000 0.000 0.196 76 E C 1.919 178.520 176.600 0.001 0.000 0.998 76 E CA 1.938 58.338 56.400 -0.000 0.000 0.806 76 E CB 0.108 29.807 29.700 -0.000 0.000 0.738 76 E HN 0.500 nan 8.360 nan 0.000 0.459 77 Q N -0.071 119.730 119.800 0.002 0.000 2.226 77 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 77 Q C 1.014 177.016 176.000 0.004 0.000 0.975 77 Q CA 1.475 57.280 55.803 0.003 0.000 0.866 77 Q CB -0.003 28.737 28.738 0.004 0.000 0.915 77 Q HN 0.235 nan 8.270 nan 0.000 0.440 78 D N 1.068 121.469 120.400 0.001 0.000 2.347 78 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 78 D C 1.786 178.087 176.300 0.001 0.000 0.976 78 D CA 0.592 54.591 54.000 -0.001 0.000 0.884 78 D CB 0.172 40.967 40.800 -0.008 0.000 0.915 78 D HN 0.353 nan 8.370 nan 0.000 0.526 79 L N 0.090 121.315 121.223 0.003 0.000 2.418 79 L HA 0.121 4.461 4.340 -0.000 0.000 0.218 79 L C 1.124 177.999 176.870 0.009 0.000 1.125 79 L CA 0.226 55.069 54.840 0.005 0.000 0.835 79 L CB 0.034 42.095 42.059 0.003 0.000 0.953 79 L HN -0.126 nan 8.230 nan 0.000 0.454 80 A N 0.874 123.700 122.820 0.010 0.000 3.047 80 A HA 0.638 4.958 4.320 -0.000 0.000 0.337 80 A C 0.304 177.897 177.584 0.016 0.000 1.143 80 A CA 0.052 52.096 52.037 0.012 0.000 0.905 80 A CB -0.102 18.903 19.000 0.009 0.000 1.088 80 A HN 0.264 nan 8.150 nan 0.000 0.488 81 G N 0.099 108.912 108.800 0.021 0.000 3.088 81 G HA2 0.040 4.000 3.960 -0.000 0.000 0.620 81 G HA3 0.040 4.000 3.960 -0.000 0.000 0.620 81 G C -0.048 174.879 174.900 0.044 0.000 1.375 81 G CA -0.657 44.460 45.100 0.028 0.000 1.016 81 G HN 0.505 nan 8.290 nan 0.000 0.590 82 L N 1.467 122.727 121.223 0.062 0.000 2.529 82 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 82 L C 2.879 179.843 176.870 0.156 0.000 1.113 82 L CA 1.122 56.033 54.840 0.119 0.000 0.861 82 L CB -0.193 41.944 42.059 0.130 0.000 1.012 82 L HN 0.798 nan 8.230 nan 0.000 0.461 83 A N 0.412 123.280 122.820 0.080 0.000 1.902 83 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 83 A C 1.869 179.500 177.584 0.078 0.000 1.181 83 A CA 1.754 53.829 52.037 0.062 0.000 0.623 83 A CB -0.309 18.708 19.000 0.028 0.000 0.818 83 A HN 0.386 nan 8.150 nan 0.000 0.443 84 D N 0.150 120.587 120.400 0.061 0.000 2.149 84 D HA -0.007 4.633 4.640 -0.000 0.000 0.201 84 D C 2.211 178.540 176.300 0.047 0.000 0.972 84 D CA 1.289 55.316 54.000 0.045 0.000 0.835 84 D CB -0.272 40.545 40.800 0.028 0.000 0.966 84 D HN 0.455 nan 8.370 nan 0.000 0.476 85 A N 1.434 124.284 122.820 0.050 0.000 1.898 85 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 85 A C 1.949 179.510 177.584 -0.038 0.000 1.181 85 A CA 1.088 53.120 52.037 -0.008 0.000 0.620 85 A CB -0.847 18.127 19.000 -0.044 0.000 0.819 85 A HN 0.293 nan 8.150 nan 0.000 0.442 86 H N -0.517 118.557 119.070 0.006 0.000 2.457 86 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 86 H C 1.843 177.175 175.328 0.006 0.000 1.064 86 H CA 1.386 57.438 56.048 0.006 0.000 1.330 86 H CB 0.090 29.855 29.762 0.005 0.000 1.395 86 H HN 0.433 nan 8.280 nan 0.000 0.541 87 K N 0.674 121.145 120.400 0.117 0.000 2.062 87 K HA -0.097 4.222 4.320 -0.000 0.000 0.205 87 K C 2.025 178.646 176.600 0.036 0.000 1.051 87 K CA 0.506 56.831 56.287 0.063 0.000 0.941 87 K CB 0.228 32.755 32.500 0.047 0.000 0.719 87 K HN 0.235 nan 8.250 nan 0.000 0.440 88 E N 1.026 121.240 120.200 0.023 0.000 2.072 88 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 88 E C 2.016 178.616 176.600 -0.000 0.000 0.985 88 E CA 0.647 57.051 56.400 0.007 0.000 0.801 88 E CB -0.154 29.546 29.700 -0.000 0.000 0.750 88 E HN 0.092 nan 8.360 nan 0.000 0.452 89 L N 1.817 123.033 121.223 -0.012 0.000 2.079 89 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 89 L C 1.517 178.390 176.870 0.004 0.000 1.081 89 L CA 1.867 56.695 54.840 -0.019 0.000 0.752 89 L CB -0.481 41.544 42.059 -0.057 0.000 0.896 89 L HN -0.050 nan 8.230 nan 0.000 0.433 90 D N -0.539 119.878 120.400 0.028 0.000 2.097 90 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 90 D C 2.331 178.656 176.300 0.042 0.000 0.989 90 D CA 1.365 55.394 54.000 0.049 0.000 0.827 90 D CB -0.123 40.710 40.800 0.055 0.000 0.966 90 D HN 0.311 nan 8.370 nan 0.000 0.456 91 R N 0.299 120.814 120.500 0.025 0.000 2.091 91 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 91 R C 2.160 178.461 176.300 0.003 0.000 1.136 91 R CA 1.106 57.215 56.100 0.015 0.000 0.959 91 R CB -0.129 30.176 30.300 0.009 0.000 0.856 91 R HN 0.085 nan 8.270 nan 0.000 0.437 92 E N 0.086 120.283 120.200 -0.005 0.000 2.106 92 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 92 E C 1.797 178.370 176.600 -0.046 0.000 0.984 92 E CA 0.830 57.218 56.400 -0.020 0.000 0.806 92 E CB 0.091 29.782 29.700 -0.014 0.000 0.750 92 E HN 0.047 nan 8.360 nan 0.000 0.458 93 V N 0.459 120.348 119.914 -0.042 0.000 2.244 93 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 93 V C 2.288 178.321 176.094 -0.102 0.000 1.042 93 V CA 1.786 64.030 62.300 -0.093 0.000 1.006 93 V CB -0.939 30.836 31.823 -0.080 0.000 0.641 93 V HN 0.406 nan 8.190 nan 0.000 0.446 94 A N -0.136 122.688 122.820 0.007 0.000 1.917 94 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 94 A C 2.352 179.936 177.584 0.000 0.000 1.182 94 A CA 2.469 54.552 52.037 0.077 0.000 0.633 94 A CB -0.594 18.479 19.000 0.121 0.000 0.819 94 A HN 0.536 nan 8.150 nan 0.000 0.448 95 K N -0.603 119.783 120.400 -0.023 0.000 2.026 95 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 95 K C 1.980 178.532 176.600 -0.080 0.000 1.048 95 K CA 1.743 58.006 56.287 -0.040 0.000 0.929 95 K CB -0.343 32.138 32.500 -0.032 0.000 0.713 95 K HN 0.385 nan 8.250 nan 0.000 0.439 96 L N 1.467 122.611 121.223 -0.131 0.000 2.046 96 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 96 L C 1.973 178.701 176.870 -0.237 0.000 1.077 96 L CA 1.490 56.194 54.840 -0.228 0.000 0.747 96 L CB -0.229 41.621 42.059 -0.348 0.000 0.896 96 L HN 0.206 nan 8.230 nan 0.000 0.432 97 L N -0.786 120.317 121.223 -0.200 0.000 2.313 97 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 97 L C 2.471 179.300 176.870 -0.068 0.000 1.119 97 L CA 1.047 55.790 54.840 -0.161 0.000 0.809 97 L CB -0.399 41.533 42.059 -0.212 0.000 0.933 97 L HN 0.423 nan 8.230 nan 0.000 0.449 98 E N 0.492 120.662 120.200 -0.050 0.000 2.072 98 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 98 E C 2.295 178.875 176.600 -0.034 0.000 0.982 98 E CA 0.730 57.114 56.400 -0.026 0.000 0.803 98 E CB 0.204 29.895 29.700 -0.015 0.000 0.755 98 E HN 0.314 nan 8.360 nan 0.000 0.453 99 R N 0.036 120.504 120.500 -0.052 0.000 2.091 99 R HA -0.044 4.295 4.340 -0.000 0.000 0.238 99 R C 0.561 176.839 176.300 -0.037 0.000 1.136 99 R CA 1.261 57.334 56.100 -0.046 0.000 0.959 99 R CB -0.050 30.213 30.300 -0.062 0.000 0.856 99 R HN -0.019 nan 8.270 nan 0.000 0.437 100 R N 0.807 121.274 120.500 -0.056 0.000 2.402 100 R HA 0.192 4.532 4.340 -0.000 0.000 0.290 100 R C -2.125 174.178 176.300 0.005 0.000 1.321 100 R CA -1.411 54.674 56.100 -0.025 0.000 1.283 100 R CB 1.315 31.589 30.300 -0.044 0.000 1.111 100 R HN 0.078 nan 8.270 nan 0.000 0.578 101 P HA -0.086 nan 4.420 nan 0.000 0.226 101 P C -0.006 177.406 177.300 0.187 0.000 1.153 101 P CA 0.901 64.051 63.100 0.084 0.000 0.777 101 P CB 0.426 32.141 31.700 0.026 0.000 0.794 102 D N -0.664 119.806 120.400 0.116 0.000 2.349 102 D HA 0.065 4.705 4.640 -0.000 0.000 0.224 102 D C 0.533 176.878 176.300 0.075 0.000 1.029 102 D CA 0.234 54.303 54.000 0.115 0.000 0.879 102 D CB -0.471 40.380 40.800 0.085 0.000 0.906 102 D HN 0.146 nan 8.370 nan 0.000 0.528 103 I N 0.309 120.911 120.570 0.054 0.000 2.496 103 I HA 0.122 4.291 4.170 -0.000 0.000 0.285 103 I C 1.480 177.528 176.117 -0.115 0.000 1.080 103 I CA 0.314 61.621 61.300 0.013 0.000 1.404 103 I CB 1.325 39.345 38.000 0.033 0.000 1.403 103 I HN -0.290 nan 8.210 nan 0.000 0.539 104 R N 2.873 123.302 120.500 -0.119 0.000 2.316 104 R HA 0.300 4.640 4.340 -0.000 0.000 0.201 104 R C -0.303 175.906 176.300 -0.153 0.000 0.888 104 R CA 0.367 56.336 56.100 -0.218 0.000 1.041 104 R CB 0.500 30.708 30.300 -0.153 0.000 1.115 104 R HN 0.601 nan 8.270 nan 0.000 0.559 105 Q N 0.478 120.220 119.800 -0.097 0.000 2.310 105 Q HA 0.355 4.695 4.340 -0.000 0.000 0.270 105 Q C -1.823 174.033 176.000 -0.241 0.000 1.025 105 Q CA -0.815 54.899 55.803 -0.149 0.000 0.772 105 Q CB 2.576 31.254 28.738 -0.100 0.000 1.253 105 Q HN -0.060 nan 8.270 nan 0.000 0.450 106 L N 3.122 124.157 121.223 -0.313 0.000 2.313 106 L HA 0.568 4.907 4.340 -0.000 0.000 0.283 106 L C -1.728 174.926 176.870 -0.360 0.000 1.013 106 L CA -0.193 54.505 54.840 -0.237 0.000 0.816 106 L CB 0.728 42.695 42.059 -0.152 0.000 1.236 106 L HN 0.444 nan 8.230 nan 0.000 0.419 107 F N 5.693 125.597 119.950 -0.077 0.000 2.388 107 F HA 0.460 4.987 4.527 -0.000 0.000 0.358 107 F C -0.207 175.581 175.800 -0.020 0.000 1.122 107 F CA -0.561 57.418 58.000 -0.036 0.000 1.056 107 F CB 1.071 39.964 39.000 -0.178 0.000 1.155 107 F HN 0.199 nan 8.300 nan 0.000 0.461 108 L N 5.134 126.430 121.223 0.122 0.000 2.261 108 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 108 L C -0.610 176.212 176.870 -0.081 0.000 1.059 108 L CA -0.750 54.111 54.840 0.036 0.000 0.816 108 L CB 0.543 42.615 42.059 0.021 0.000 1.191 108 L HN 0.296 nan 8.230 nan 0.000 0.431 109 V N 2.554 122.381 119.914 -0.146 0.000 2.350 109 V HA 0.380 4.500 4.120 -0.000 0.000 0.276 109 V C 0.943 176.919 176.094 -0.196 0.000 1.028 109 V CA -0.632 61.452 62.300 -0.361 0.000 0.860 109 V CB 1.167 32.775 31.823 -0.358 0.000 0.990 109 V HN 0.841 nan 8.190 nan 0.000 0.453 110 G N 3.840 112.533 108.800 -0.178 0.000 2.406 110 G HA2 0.463 4.423 3.960 -0.000 0.000 0.251 110 G HA3 0.463 4.423 3.960 -0.000 0.000 0.251 110 G C 0.220 175.085 174.900 -0.058 0.000 1.271 110 G CA 0.208 45.261 45.100 -0.078 0.000 0.859 110 G HN 0.908 nan 8.290 nan 0.000 0.540 111 S N 0.319 115.999 115.700 -0.034 0.000 2.715 111 S HA 0.310 4.779 4.470 -0.000 0.000 0.307 111 S C 1.329 175.926 174.600 -0.004 0.000 1.119 111 S CA -0.361 57.827 58.200 -0.019 0.000 0.937 111 S CB 1.226 64.415 63.200 -0.018 0.000 1.150 111 S HN 0.590 nan 8.310 nan 0.000 0.521 112 C N 1.035 120.336 119.300 0.003 0.000 2.413 112 C HA 0.034 4.494 4.460 -0.000 0.000 0.277 112 C C -0.435 174.558 174.990 0.005 0.000 1.228 112 C CA 1.396 60.418 59.018 0.007 0.000 1.731 112 C CB -2.391 25.355 27.740 0.010 0.000 2.042 112 C HN 0.750 nan 8.230 nan 0.000 0.468 113 P HA -0.102 nan 4.420 nan 0.000 0.216 113 P C 1.877 179.175 177.300 -0.003 0.000 1.150 113 P CA 2.519 65.619 63.100 -0.000 0.000 0.837 113 P CB -0.280 31.420 31.700 -0.002 0.000 0.786 114 S N -1.013 114.683 115.700 -0.008 0.000 2.428 114 S HA -0.110 4.360 4.470 -0.000 0.000 0.230 114 S C 1.880 176.478 174.600 -0.003 0.000 1.014 114 S CA 0.908 59.100 58.200 -0.013 0.000 0.957 114 S CB -0.881 62.304 63.200 -0.025 0.000 0.784 114 S HN 0.136 nan 8.310 nan 0.000 0.499 115 E N 0.796 120.997 120.200 0.003 0.000 2.028 115 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 115 E C 2.173 178.782 176.600 0.015 0.000 0.984 115 E CA 1.098 57.505 56.400 0.012 0.000 0.800 115 E CB -0.300 29.410 29.700 0.015 0.000 0.758 115 E HN 0.342 nan 8.360 nan 0.000 0.448 116 V N 1.615 121.537 119.914 0.012 0.000 2.282 116 V HA -0.282 3.837 4.120 -0.000 0.000 0.249 116 V C 2.292 178.394 176.094 0.014 0.000 1.057 116 V CA 1.558 63.866 62.300 0.013 0.000 1.032 116 V CB -0.425 31.404 31.823 0.011 0.000 0.645 116 V HN 0.334 nan 8.190 nan 0.000 0.447 117 L N -0.036 121.194 121.223 0.011 0.000 2.551 117 L HA -0.115 4.225 4.340 -0.000 0.000 0.230 117 L C 1.258 178.141 176.870 0.022 0.000 1.163 117 L CA 0.840 55.688 54.840 0.013 0.000 0.826 117 L CB -0.329 41.732 42.059 0.004 0.000 0.943 117 L HN 0.417 nan 8.230 nan 0.000 0.452 118 K N -0.434 119.980 120.400 0.025 0.000 3.129 118 K HA -0.206 4.114 4.320 -0.000 0.000 0.273 118 K C -0.097 176.535 176.600 0.053 0.000 1.123 118 K CA 0.441 56.750 56.287 0.037 0.000 0.800 118 K CB -2.140 30.383 32.500 0.038 0.000 1.238 118 K HN 0.137 nan 8.250 nan 0.000 0.492 119 L N 2.373 123.616 121.223 0.034 0.000 2.456 119 L HA 0.100 4.440 4.340 -0.000 0.000 0.277 119 L C 0.401 177.302 176.870 0.051 0.000 1.124 119 L CA 0.301 55.155 54.840 0.023 0.000 0.880 119 L CB 0.442 42.469 42.059 -0.052 0.000 1.192 119 L HN 0.019 nan 8.230 nan 0.000 0.463 120 D N 4.372 124.862 120.400 0.150 0.000 2.435 120 D HA 0.038 4.678 4.640 -0.000 0.000 0.230 120 D C 0.815 177.211 176.300 0.159 0.000 1.215 120 D CA -0.139 53.956 54.000 0.158 0.000 0.947 120 D CB 0.661 41.564 40.800 0.171 0.000 1.048 120 D HN 0.397 nan 8.370 nan 0.000 0.512 121 L N 3.012 124.280 121.223 0.075 0.000 2.270 121 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 121 L C 1.920 178.832 176.870 0.070 0.000 1.104 121 L CA 0.785 55.655 54.840 0.051 0.000 0.804 121 L CB -0.311 41.756 42.059 0.014 0.000 0.937 121 L HN 0.388 nan 8.230 nan 0.000 0.450 122 D N -0.410 120.037 120.400 0.077 0.000 2.092 122 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 122 D C 2.190 178.529 176.300 0.065 0.000 0.994 122 D CA 1.049 55.093 54.000 0.074 0.000 0.828 122 D CB 0.162 41.004 40.800 0.070 0.000 0.963 122 D HN 0.178 nan 8.370 nan 0.000 0.450 123 R N 0.950 121.495 120.500 0.076 0.000 2.092 123 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 123 R C 2.085 178.432 176.300 0.079 0.000 1.119 123 R CA 1.158 57.294 56.100 0.061 0.000 0.970 123 R CB -0.210 30.116 30.300 0.043 0.000 0.864 123 R HN 0.052 nan 8.270 nan 0.000 0.440 124 A N 0.900 123.802 122.820 0.137 0.000 1.902 124 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 124 A C 2.377 179.997 177.584 0.060 0.000 1.181 124 A CA 1.676 53.794 52.037 0.134 0.000 0.623 124 A CB -0.660 18.413 19.000 0.122 0.000 0.818 124 A HN 0.487 nan 8.150 nan 0.000 0.443 125 A N -0.495 122.348 122.820 0.039 0.000 1.933 125 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 125 A C 1.966 179.532 177.584 -0.029 0.000 1.175 125 A CA 2.140 54.176 52.037 -0.002 0.000 0.628 125 A CB -0.450 18.555 19.000 0.008 0.000 0.814 125 A HN 0.515 nan 8.150 nan 0.000 0.444 126 E N -0.217 119.977 120.200 -0.010 0.000 2.047 126 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 126 E C 2.198 178.790 176.600 -0.014 0.000 0.987 126 E CA 1.345 57.732 56.400 -0.022 0.000 0.799 126 E CB -0.231 29.464 29.700 -0.008 0.000 0.752 126 E HN 0.550 nan 8.360 nan 0.000 0.449 127 R N -0.203 120.301 120.500 0.007 0.000 2.082 127 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 127 R C 2.057 178.370 176.300 0.020 0.000 1.136 127 R CA 1.516 57.623 56.100 0.011 0.000 0.935 127 R CB -0.467 29.850 30.300 0.028 0.000 0.842 127 R HN 0.221 nan 8.270 nan 0.000 0.430 128 L N 0.746 121.997 121.223 0.047 0.000 2.127 128 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 128 L C 2.474 179.408 176.870 0.107 0.000 1.089 128 L CA 1.552 56.459 54.840 0.111 0.000 0.757 128 L CB -1.325 40.781 42.059 0.080 0.000 0.899 128 L HN 0.271 nan 8.230 nan 0.000 0.434 129 S N -0.529 115.173 115.700 0.003 0.000 2.402 129 S HA -0.089 4.381 4.470 -0.000 0.000 0.229 129 S C 1.968 176.554 174.600 -0.024 0.000 1.021 129 S CA 1.069 59.242 58.200 -0.045 0.000 0.974 129 S CB -0.167 62.962 63.200 -0.119 0.000 0.800 129 S HN 0.579 nan 8.310 nan 0.000 0.484 130 G N 0.999 109.786 108.800 -0.023 0.000 2.404 130 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.215 130 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.215 130 G C 1.131 176.002 174.900 -0.047 0.000 1.174 130 G CA 0.541 45.622 45.100 -0.032 0.000 0.780 130 G HN 0.433 nan 8.290 nan 0.000 0.537 131 L N -0.104 121.079 121.223 -0.066 0.000 2.465 131 L HA 0.184 4.523 4.340 -0.000 0.000 0.224 131 L C 1.324 177.980 176.870 -0.358 0.000 1.145 131 L CA 1.053 55.773 54.840 -0.199 0.000 0.834 131 L CB -0.425 41.490 42.059 -0.239 0.000 0.944 131 L HN 0.339 nan 8.230 nan 0.000 0.451 132 H N -2.116 116.936 119.070 -0.029 0.000 2.767 132 H HA 0.516 5.072 4.556 -0.000 0.000 0.260 132 H C 0.584 175.909 175.328 -0.005 0.000 1.172 132 H CA 0.026 56.066 56.048 -0.014 0.000 1.048 132 H CB 0.440 30.188 29.762 -0.024 0.000 1.697 132 H HN 0.139 nan 8.280 nan 0.000 0.606 133 A N 1.657 124.508 122.820 0.053 0.000 2.332 133 A HA 0.286 4.606 4.320 -0.000 0.000 0.258 133 A C -0.908 176.703 177.584 0.045 0.000 1.087 133 A CA -0.994 51.062 52.037 0.032 0.000 0.802 133 A CB 0.295 19.293 19.000 -0.004 0.000 1.042 133 A HN 0.249 nan 8.150 nan 0.000 0.489 134 P HA -0.009 nan 4.420 nan 0.000 0.255 134 P C 0.837 178.173 177.300 0.062 0.000 1.248 134 P CA 0.624 63.748 63.100 0.039 0.000 0.807 134 P CB -0.004 31.716 31.700 0.033 0.000 1.150 135 H N 0.505 119.577 119.070 0.004 0.000 2.357 135 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 135 H C 0.043 175.368 175.328 -0.006 0.000 1.082 135 H CA 1.023 57.074 56.048 0.005 0.000 1.342 135 H CB 0.426 30.197 29.762 0.015 0.000 1.389 135 H HN -0.019 nan 8.280 nan 0.000 0.511 136 V N 1.701 121.562 119.914 -0.088 0.000 2.443 136 V HA 0.338 4.458 4.120 -0.000 0.000 0.293 136 V C -0.585 175.427 176.094 -0.136 0.000 1.021 136 V CA -0.843 61.353 62.300 -0.172 0.000 0.848 136 V CB 1.610 33.326 31.823 -0.179 0.000 0.998 136 V HN 0.300 nan 8.190 nan 0.000 0.424 137 R N 4.692 125.079 120.500 -0.188 0.000 2.357 137 R HA 0.689 5.029 4.340 -0.000 0.000 0.296 137 R C -0.958 175.089 176.300 -0.422 0.000 1.052 137 R CA 0.000 55.920 56.100 -0.300 0.000 0.988 137 R CB 1.660 31.768 30.300 -0.319 0.000 1.025 137 R HN 0.797 nan 8.270 nan 0.000 0.469 138 V N 5.493 125.122 119.914 -0.476 0.000 2.487 138 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 138 V C -1.582 174.219 176.094 -0.487 0.000 1.028 138 V CA -0.499 61.555 62.300 -0.411 0.000 0.860 138 V CB 1.146 32.843 31.823 -0.210 0.000 0.991 138 V HN 0.807 nan 8.190 nan 0.000 0.427 139 Y N 3.532 123.686 120.300 -0.243 0.000 2.602 139 Y HA 0.811 5.361 4.550 -0.000 0.000 0.330 139 Y C 0.621 176.559 175.900 0.062 0.000 1.114 139 Y CA -0.384 57.675 58.100 -0.069 0.000 1.182 139 Y CB 2.146 40.586 38.460 -0.034 0.000 1.305 139 Y HN 0.785 nan 8.280 nan 0.000 0.502 140 S N 0.895 116.798 115.700 0.339 0.000 2.541 140 S HA 0.770 5.240 4.470 -0.000 0.000 0.280 140 S C -1.776 173.039 174.600 0.360 0.000 1.112 140 S CA -0.435 57.916 58.200 0.251 0.000 0.925 140 S CB 0.881 64.163 63.200 0.136 0.000 1.067 140 S HN 0.671 nan 8.310 nan 0.000 0.479 141 Y N -0.446 119.953 120.300 0.164 0.000 2.677 141 Y HA 0.682 5.231 4.550 -0.000 0.000 0.334 141 Y C -0.765 175.183 175.900 0.080 0.000 1.196 141 Y CA -0.922 57.247 58.100 0.115 0.000 1.059 141 Y CB 0.997 39.524 38.460 0.111 0.000 1.315 141 Y HN 0.559 nan 8.280 nan 0.000 0.455 142 T N 0.492 115.178 114.554 0.220 0.000 2.837 142 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 142 T C 0.439 175.240 174.700 0.168 0.000 0.984 142 T CA 0.111 62.266 62.100 0.092 0.000 1.049 142 T CB 0.569 69.486 68.868 0.082 0.000 0.947 142 T HN 1.229 nan 8.240 nan 0.000 0.472 143 G N 2.506 111.328 108.800 0.037 0.000 3.969 143 G HA2 0.283 4.243 3.960 -0.000 0.000 0.291 143 G HA3 0.283 4.243 3.960 -0.000 0.000 0.291 143 G C 0.421 175.337 174.900 0.027 0.000 1.016 143 G CA -0.035 45.103 45.100 0.062 0.000 0.819 143 G HN 0.911 nan 8.290 nan 0.000 0.493 144 S N -0.619 115.096 115.700 0.024 0.000 2.584 144 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 144 S C 1.755 176.375 174.600 0.034 0.000 1.346 144 S CA 0.442 58.654 58.200 0.021 0.000 1.018 144 S CB 1.617 64.828 63.200 0.018 0.000 0.899 144 S HN 0.325 nan 8.310 nan 0.000 0.542 145 G N 0.945 109.764 108.800 0.032 0.000 2.448 145 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.219 145 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.219 145 G C 1.206 176.127 174.900 0.035 0.000 1.127 145 G CA 0.716 45.838 45.100 0.037 0.000 0.766 145 G HN 0.709 nan 8.290 nan 0.000 0.552 146 L N 0.095 121.335 121.223 0.029 0.000 2.131 146 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 146 L C 1.794 178.683 176.870 0.031 0.000 1.092 146 L CA 1.101 55.958 54.840 0.029 0.000 0.759 146 L CB -0.134 41.940 42.059 0.025 0.000 0.903 146 L HN 0.055 nan 8.230 nan 0.000 0.435 147 D N -2.072 118.347 120.400 0.032 0.000 2.449 147 D HA 0.116 4.756 4.640 -0.000 0.000 0.210 147 D C 0.341 176.654 176.300 0.022 0.000 1.094 147 D CA 0.519 54.536 54.000 0.028 0.000 0.846 147 D CB 1.088 41.909 40.800 0.035 0.000 1.003 147 D HN 0.021 nan 8.370 nan 0.000 0.504 148 T N -0.587 113.987 114.554 0.035 0.000 3.097 148 T HA 0.325 4.675 4.350 -0.000 0.000 0.332 148 T C -1.337 173.405 174.700 0.070 0.000 1.269 148 T CA -0.356 61.767 62.100 0.038 0.000 1.076 148 T CB 1.812 70.707 68.868 0.046 0.000 1.209 148 T HN -0.328 nan 8.240 nan 0.000 0.474 149 T N 4.756 119.361 114.554 0.087 0.000 2.786 149 T HA 0.502 4.852 4.350 -0.000 0.000 0.283 149 T C 0.325 175.160 174.700 0.226 0.000 0.992 149 T CA -0.319 61.874 62.100 0.155 0.000 0.954 149 T CB 0.732 69.696 68.868 0.160 0.000 0.934 149 T HN 0.614 nan 8.240 nan 0.000 0.440 150 F N 3.191 123.192 119.950 0.085 0.000 2.610 150 F HA -0.420 4.107 4.527 -0.000 0.000 0.224 150 F C 2.348 178.147 175.800 -0.002 0.000 1.432 150 F CA 2.981 61.034 58.000 0.088 0.000 1.938 150 F CB -1.777 37.310 39.000 0.146 0.000 0.489 150 F HN 0.627 nan 8.300 nan 0.000 0.291 151 T N -0.506 113.833 114.554 -0.357 0.000 3.007 151 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 151 T C 1.578 176.005 174.700 -0.455 0.000 1.107 151 T CA 1.508 63.176 62.100 -0.719 0.000 1.118 151 T CB -0.498 67.316 68.868 -1.756 0.000 0.889 151 T HN 0.700 nan 8.240 nan 0.000 0.506 152 Q N 0.679 120.377 119.800 -0.170 0.000 2.439 152 Q HA 0.035 4.375 4.340 -0.000 0.000 0.211 152 Q C 2.487 178.451 176.000 -0.060 0.000 0.978 152 Q CA 0.896 56.667 55.803 -0.054 0.000 0.897 152 Q CB -0.433 28.290 28.738 -0.025 0.000 0.956 152 Q HN 0.775 nan 8.270 nan 0.000 0.483 153 G N 1.068 109.809 108.800 -0.098 0.000 2.421 153 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 153 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 153 G C 1.179 175.934 174.900 -0.242 0.000 1.143 153 G CA 0.620 45.658 45.100 -0.103 0.000 0.784 153 G HN 0.399 nan 8.290 nan 0.000 0.541 154 E N 0.353 120.405 120.200 -0.247 0.000 2.077 154 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 154 E C 1.988 178.511 176.600 -0.129 0.000 0.989 154 E CA 1.239 57.525 56.400 -0.190 0.000 0.800 154 E CB -0.145 29.616 29.700 0.101 0.000 0.746 154 E HN 0.297 nan 8.360 nan 0.000 0.452 155 D N -0.231 120.162 120.400 -0.012 0.000 2.092 155 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 155 D C 2.085 178.315 176.300 -0.116 0.000 0.994 155 D CA 2.524 56.524 54.000 0.001 0.000 0.828 155 D CB -0.445 40.400 40.800 0.076 0.000 0.963 155 D HN 0.358 nan 8.370 nan 0.000 0.450 156 T N -1.698 112.761 114.554 -0.158 0.000 2.788 156 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 156 T C 2.504 176.923 174.700 -0.468 0.000 1.044 156 T CA 1.402 63.398 62.100 -0.173 0.000 1.139 156 T CB -1.283 67.585 68.868 0.001 0.000 0.867 156 T HN 0.333 nan 8.240 nan 0.000 0.454 157 C N 1.349 120.084 119.300 -0.942 0.000 2.442 157 C HA 0.069 4.529 4.460 -0.000 0.000 0.279 157 C C 2.708 177.397 174.990 -0.502 0.000 1.237 157 C CA 0.700 58.975 59.018 -1.239 0.000 1.722 157 C CB -1.624 25.418 27.740 -1.163 0.000 2.056 157 C HN 0.658 nan 8.230 nan 0.000 0.469 158 L N 1.436 122.464 121.223 -0.326 0.000 2.083 158 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 158 L C 3.071 179.865 176.870 -0.126 0.000 1.083 158 L CA 1.600 56.332 54.840 -0.180 0.000 0.752 158 L CB -0.927 41.063 42.059 -0.115 0.000 0.899 158 L HN 0.470 nan 8.230 nan 0.000 0.433 159 A N 0.366 123.118 122.820 -0.113 0.000 1.940 159 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 159 A C 1.709 179.287 177.584 -0.010 0.000 1.176 159 A CA 1.248 53.252 52.037 -0.054 0.000 0.631 159 A CB -0.668 18.313 19.000 -0.032 0.000 0.814 159 A HN 0.376 nan 8.150 nan 0.000 0.446 163 P HA -0.070 nan 4.420 nan 0.000 0.226 163 P C 1.422 178.761 177.300 0.065 0.000 1.153 163 P CA 2.073 65.206 63.100 0.054 0.000 0.777 163 P CB -0.162 31.575 31.700 0.061 0.000 0.794 164 T N -3.591 111.024 114.554 0.101 0.000 3.081 164 T HA 0.135 4.485 4.350 -0.000 0.000 0.250 164 T C 0.609 175.361 174.700 0.086 0.000 1.100 164 T CA -0.097 62.066 62.100 0.105 0.000 1.038 164 T CB -0.733 68.245 68.868 0.183 0.000 0.962 164 T HN -0.095 nan 8.240 nan 0.000 0.516 165 L N 2.464 123.730 121.223 0.071 0.000 2.439 165 L HA 0.309 4.649 4.340 -0.000 0.000 0.269 165 L C 0.265 177.158 176.870 0.037 0.000 1.179 165 L CA -0.787 54.084 54.840 0.051 0.000 0.828 165 L CB 0.282 42.359 42.059 0.031 0.000 1.106 165 L HN 0.170 nan 8.230 nan 0.000 0.467 166 D N 0.951 121.372 120.400 0.034 0.000 2.478 166 D HA -0.018 4.622 4.640 -0.000 0.000 0.234 166 D C 0.204 176.519 176.300 0.025 0.000 1.154 166 D CA 0.433 54.449 54.000 0.028 0.000 0.874 166 D CB 0.734 41.549 40.800 0.026 0.000 1.198 166 D HN 0.419 nan 8.370 nan 0.000 0.455 167 T N 0.521 115.088 114.554 0.023 0.000 2.922 167 T HA 0.489 4.839 4.350 -0.000 0.000 0.285 167 T C -0.268 174.446 174.700 0.022 0.000 1.005 167 T CA -0.150 61.963 62.100 0.022 0.000 1.061 167 T CB 0.835 69.714 68.868 0.020 0.000 1.007 167 T HN 0.336 nan 8.240 nan 0.000 0.502 168 T N 1.313 115.881 114.554 0.023 0.000 2.885 168 T HA 0.328 4.678 4.350 -0.000 0.000 0.322 168 T C -0.087 174.627 174.700 0.024 0.000 1.387 168 T CA -0.532 61.582 62.100 0.024 0.000 1.041 168 T CB 1.618 70.502 68.868 0.027 0.000 1.287 168 T HN 0.768 nan 8.240 nan 0.000 0.491 169 E N 2.032 122.245 120.200 0.022 0.000 2.476 169 E HA 0.547 4.897 4.350 -0.000 0.000 0.196 169 E C 0.542 177.156 176.600 0.022 0.000 1.029 169 E CA -0.414 55.998 56.400 0.020 0.000 0.896 169 E CB 0.303 30.012 29.700 0.015 0.000 1.012 169 E HN 0.650 nan 8.360 nan 0.000 0.475 170 A N 1.097 123.934 122.820 0.028 0.000 2.425 170 A HA 0.526 4.846 4.320 -0.000 0.000 0.249 170 A C 0.398 178.008 177.584 0.042 0.000 1.084 170 A CA 0.150 52.207 52.037 0.033 0.000 0.781 170 A CB 0.455 19.477 19.000 0.036 0.000 1.019 170 A HN 0.414 nan 8.150 nan 0.000 0.490 171 A N 2.966 125.813 122.820 0.045 0.000 2.650 171 A HA 0.539 4.859 4.320 -0.000 0.000 0.320 171 A C 0.109 177.763 177.584 0.117 0.000 1.466 171 A CA -0.180 51.889 52.037 0.055 0.000 1.099 171 A CB -0.313 18.698 19.000 0.018 0.000 1.136 171 A HN 0.847 nan 8.150 nan 0.000 0.532 172 E N 0.990 121.267 120.200 0.128 0.000 2.369 172 E HA 0.457 4.807 4.350 -0.000 0.000 0.270 172 E C -1.279 175.425 176.600 0.174 0.000 0.909 172 E CA -0.789 55.699 56.400 0.146 0.000 0.775 172 E CB 2.234 31.987 29.700 0.087 0.000 1.270 172 E HN 0.563 nan 8.360 nan 0.000 0.445 173 L N 3.417 124.720 121.223 0.134 0.000 2.289 173 L HA 0.506 4.846 4.340 -0.000 0.000 0.285 173 L C -1.025 175.898 176.870 0.088 0.000 1.049 173 L CA -0.425 54.479 54.840 0.106 0.000 0.804 173 L CB 0.574 42.606 42.059 -0.045 0.000 1.195 173 L HN 0.524 nan 8.230 nan 0.000 0.428 174 I N 4.920 125.572 120.570 0.135 0.000 2.404 174 I HA 0.299 4.469 4.170 -0.000 0.000 0.293 174 I C -0.446 175.771 176.117 0.166 0.000 0.992 174 I CA -0.764 60.616 61.300 0.133 0.000 1.149 174 I CB 2.100 40.176 38.000 0.128 0.000 1.315 174 I HN 0.219 nan 8.210 nan 0.000 0.446 175 V N 7.245 127.247 119.914 0.147 0.000 2.370 175 V HA 0.325 4.445 4.120 -0.000 0.000 0.279 175 V C 0.037 176.227 176.094 0.160 0.000 1.029 175 V CA -0.606 61.819 62.300 0.208 0.000 0.870 175 V CB 1.629 33.597 31.823 0.242 0.000 0.984 175 V HN 0.386 nan 8.190 nan 0.000 0.451 176 V N 3.711 123.736 119.914 0.184 0.000 2.483 176 V HA 0.976 5.096 4.120 -0.000 0.000 0.295 176 V C 0.510 176.648 176.094 0.073 0.000 1.035 176 V CA 0.103 62.468 62.300 0.110 0.000 0.896 176 V CB 1.128 33.017 31.823 0.111 0.000 0.986 176 V HN 1.245 nan 8.190 nan 0.000 0.447 177 G N 3.321 112.140 108.800 0.031 0.000 2.931 177 G HA2 0.414 4.374 3.960 -0.000 0.000 0.675 177 G HA3 0.414 4.374 3.960 -0.000 0.000 0.675 177 G C -0.485 174.428 174.900 0.022 0.000 1.339 177 G CA -0.452 44.649 45.100 0.003 0.000 0.866 177 G HN 1.387 nan 8.290 nan 0.000 0.616 178 A N 2.491 125.368 122.820 0.094 0.000 2.395 178 A HA 0.683 5.002 4.320 -0.000 0.000 0.286 178 A C 0.657 178.261 177.584 0.034 0.000 1.193 178 A CA 0.155 52.250 52.037 0.097 0.000 0.852 178 A CB 0.045 19.163 19.000 0.197 0.000 1.118 178 A HN 1.067 nan 8.150 nan 0.000 0.524 179 L N 3.834 125.035 121.223 -0.036 0.000 2.344 179 L HA 0.430 4.770 4.340 -0.000 0.000 0.272 179 L C -2.102 174.741 176.870 -0.046 0.000 1.035 179 L CA -2.345 52.432 54.840 -0.104 0.000 0.807 179 L CB 1.578 43.531 42.059 -0.176 0.000 1.237 179 L HN 0.405 nan 8.230 nan 0.000 0.442 180 P HA -0.005 nan 4.420 nan 0.000 0.265 180 P C -0.372 176.911 177.300 -0.029 0.000 1.187 180 P CA 0.035 63.128 63.100 -0.012 0.000 0.766 180 P CB 0.549 32.251 31.700 0.003 0.000 0.820 181 D N 1.158 121.549 120.400 -0.016 0.000 2.133 181 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 181 D C 1.684 177.959 176.300 -0.042 0.000 0.997 181 D CA 1.573 55.558 54.000 -0.025 0.000 0.840 181 D CB -0.434 40.360 40.800 -0.011 0.000 0.947 181 D HN 0.242 nan 8.370 nan 0.000 0.452 182 V N -1.638 118.256 119.914 -0.034 0.000 2.427 182 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 182 V C 2.285 178.331 176.094 -0.079 0.000 1.051 182 V CA 0.993 63.268 62.300 -0.042 0.000 1.048 182 V CB -0.975 30.837 31.823 -0.019 0.000 0.666 182 V HN 0.053 nan 8.190 nan 0.000 0.456 183 V N 0.891 120.755 119.914 -0.083 0.000 2.261 183 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 183 V C 2.743 178.665 176.094 -0.287 0.000 1.047 183 V CA 2.541 64.754 62.300 -0.145 0.000 1.015 183 V CB -0.817 30.970 31.823 -0.061 0.000 0.642 183 V HN 0.738 nan 8.190 nan 0.000 0.446 184 E N 0.214 120.292 120.200 -0.204 0.000 2.049 184 E HA -0.326 4.024 4.350 -0.000 0.000 0.198 184 E C 1.916 178.392 176.600 -0.205 0.000 1.007 184 E CA 1.965 58.244 56.400 -0.202 0.000 0.809 184 E CB -0.191 29.444 29.700 -0.108 0.000 0.749 184 E HN 0.598 nan 8.360 nan 0.000 0.450 185 D N 0.249 120.560 120.400 -0.149 0.000 2.116 185 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 185 D C 2.125 178.331 176.300 -0.157 0.000 0.998 185 D CA 1.307 55.235 54.000 -0.120 0.000 0.836 185 D CB -0.307 40.446 40.800 -0.079 0.000 0.951 185 D HN 0.388 nan 8.370 nan 0.000 0.449 186 Q N -0.133 119.540 119.800 -0.211 0.000 2.050 186 Q HA -0.133 4.206 4.340 -0.000 0.000 0.202 186 Q C 2.484 178.268 176.000 -0.360 0.000 0.980 186 Q CA 1.175 56.836 55.803 -0.237 0.000 0.840 186 Q CB -0.425 28.172 28.738 -0.235 0.000 0.898 186 Q HN 0.323 nan 8.270 nan 0.000 0.424 187 C N 0.569 119.476 119.300 -0.655 0.000 2.367 187 C HA -0.210 4.250 4.460 -0.000 0.000 0.276 187 C C 2.476 177.324 174.990 -0.238 0.000 1.195 187 C CA 0.962 59.564 59.018 -0.692 0.000 1.756 187 C CB -1.012 26.276 27.740 -0.754 0.000 2.046 187 C HN 0.469 nan 8.230 nan 0.000 0.453 188 L N 1.065 122.182 121.223 -0.176 0.000 2.013 188 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 188 L C 2.930 179.761 176.870 -0.066 0.000 1.073 188 L CA 2.431 57.219 54.840 -0.087 0.000 0.753 188 L CB -1.401 40.614 42.059 -0.075 0.000 0.890 188 L HN 0.543 nan 8.230 nan 0.000 0.432 189 S N -0.891 114.762 115.700 -0.078 0.000 2.353 189 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 189 S C 2.109 176.692 174.600 -0.029 0.000 1.035 189 S CA 1.469 59.639 58.200 -0.049 0.000 1.025 189 S CB -0.308 62.861 63.200 -0.051 0.000 0.902 189 S HN 0.347 nan 8.310 nan 0.000 0.440 190 L N 0.932 122.140 121.223 -0.025 0.000 2.042 190 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 190 L C 2.472 179.366 176.870 0.039 0.000 1.076 190 L CA 1.221 56.077 54.840 0.026 0.000 0.749 190 L CB -0.500 41.608 42.059 0.081 0.000 0.893 190 L HN 0.354 nan 8.230 nan 0.000 0.432 191 L N -1.215 120.025 121.223 0.028 0.000 2.093 191 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 191 L C 2.591 179.450 176.870 -0.019 0.000 1.085 191 L CA 1.310 56.158 54.840 0.012 0.000 0.755 191 L CB -0.874 41.185 42.059 -0.000 0.000 0.904 191 L HN 0.275 nan 8.230 nan 0.000 0.435 192 T N -0.938 113.603 114.554 -0.021 0.000 2.674 192 T HA -0.229 4.121 4.350 -0.000 0.000 0.265 192 T C 1.865 176.559 174.700 -0.010 0.000 1.039 192 T CA 1.238 63.326 62.100 -0.020 0.000 1.150 192 T CB -0.248 68.609 68.868 -0.020 0.000 0.864 192 T HN 0.353 nan 8.240 nan 0.000 0.427 193 Q N 0.444 120.240 119.800 -0.006 0.000 2.197 193 Q HA -0.028 4.312 4.340 -0.000 0.000 0.207 193 Q C 2.182 178.186 176.000 0.006 0.000 0.984 193 Q CA 1.050 56.851 55.803 -0.003 0.000 0.869 193 Q CB -0.423 28.310 28.738 -0.008 0.000 0.906 193 Q HN 0.483 nan 8.270 nan 0.000 0.426 194 L N -1.131 120.102 121.223 0.017 0.000 2.478 194 L HA 0.040 4.380 4.340 -0.000 0.000 0.223 194 L C 1.211 178.100 176.870 0.031 0.000 1.140 194 L CA 0.535 55.400 54.840 0.042 0.000 0.842 194 L CB -0.057 42.050 42.059 0.080 0.000 0.953 194 L HN 0.462 nan 8.230 nan 0.000 0.452 195 G N -0.064 108.741 108.800 0.008 0.000 2.141 195 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.242 195 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.242 195 G C 0.180 175.069 174.900 -0.018 0.000 0.982 195 G CA -0.034 45.070 45.100 0.006 0.000 0.662 195 G HN 0.083 nan 8.290 nan 0.000 0.527 196 V N 1.761 121.631 119.914 -0.074 0.000 2.397 196 V HA 0.533 4.653 4.120 -0.000 0.000 0.262 196 V C 1.618 177.629 176.094 -0.137 0.000 1.047 196 V CA 0.182 62.363 62.300 -0.198 0.000 1.003 196 V CB 0.535 32.139 31.823 -0.364 0.000 1.037 196 V HN 0.715 nan 8.190 nan 0.000 0.480 197 G N 6.893 115.649 108.800 -0.072 0.000 2.699 197 G HA2 0.265 4.224 3.960 -0.000 0.000 0.246 197 G HA3 0.265 4.224 3.960 -0.000 0.000 0.246 197 G C -2.253 172.632 174.900 -0.025 0.000 1.219 197 G CA -0.931 44.161 45.100 -0.013 0.000 0.866 197 G HN 0.628 nan 8.290 nan 0.000 0.572 198 P HA -0.026 nan 4.420 nan 0.000 0.258 198 P C -0.162 177.136 177.300 -0.003 0.000 1.136 198 P CA 0.367 63.468 63.100 0.002 0.000 0.761 198 P CB 0.308 32.019 31.700 0.018 0.000 0.724 199 V N 5.074 124.982 119.914 -0.011 0.000 2.487 199 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 199 V C -0.334 175.767 176.094 0.012 0.000 1.028 199 V CA -0.727 61.569 62.300 -0.006 0.000 0.860 199 V CB 1.867 33.670 31.823 -0.033 0.000 0.991 199 V HN 0.359 nan 8.190 nan 0.000 0.427 203 P HA 0.477 nan 4.420 nan 0.000 0.281 203 P C -0.713 176.604 177.300 0.029 0.000 1.249 203 P CA -0.376 62.735 63.100 0.018 0.000 0.810 203 P CB 1.403 33.116 31.700 0.022 0.000 1.008 204 A N 2.928 125.768 122.820 0.033 0.000 2.296 204 A HA 0.213 4.533 4.320 -0.000 0.000 0.264 204 A C 1.518 179.127 177.584 0.042 0.000 1.097 204 A CA -0.367 51.690 52.037 0.033 0.000 0.811 204 A CB 0.028 19.048 19.000 0.033 0.000 1.072 204 A HN 0.500 nan 8.150 nan 0.000 0.495 205 R N -0.771 119.751 120.500 0.036 0.000 2.189 205 R HA 0.023 4.363 4.340 -0.000 0.000 0.218 205 R C 0.274 176.604 176.300 0.051 0.000 1.074 205 R CA 0.966 57.090 56.100 0.040 0.000 0.991 205 R CB 0.020 30.336 30.300 0.028 0.000 0.883 205 R HN 0.607 nan 8.270 nan 0.000 0.457 206 R N -1.405 119.125 120.500 0.050 0.000 2.740 206 R HA 0.084 4.424 4.340 -0.000 0.000 0.273 206 R C 0.756 177.087 176.300 0.053 0.000 0.998 206 R CA -0.135 55.997 56.100 0.054 0.000 0.900 206 R CB 1.686 32.012 30.300 0.043 0.000 1.223 206 R HN -0.017 nan 8.270 nan 0.000 0.466 207 S N -0.128 115.605 115.700 0.054 0.000 2.447 207 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 207 S C 0.993 175.619 174.600 0.043 0.000 1.006 207 S CA 1.593 59.825 58.200 0.054 0.000 0.957 207 S CB -0.039 63.188 63.200 0.045 0.000 0.773 207 S HN 0.759 nan 8.310 nan 0.000 0.507 208 D N 1.702 122.123 120.400 0.034 0.000 2.340 208 D HA 0.044 4.684 4.640 -0.000 0.000 0.217 208 D C 1.053 177.371 176.300 0.030 0.000 1.081 208 D CA -0.113 53.905 54.000 0.029 0.000 0.842 208 D CB -0.386 40.429 40.800 0.025 0.000 0.934 208 D HN 0.779 nan 8.370 nan 0.000 0.511 209 I N -2.768 117.821 120.570 0.032 0.000 3.491 209 I HA 0.336 4.505 4.170 -0.000 0.000 0.332 209 I C -0.365 175.771 176.117 0.031 0.000 1.565 209 I CA -0.789 60.529 61.300 0.029 0.000 1.050 209 I CB 0.300 38.316 38.000 0.026 0.000 1.348 209 I HN -0.354 nan 8.210 nan 0.000 0.506 210 E N 2.993 123.214 120.200 0.035 0.000 2.398 210 E HA 0.278 4.628 4.350 -0.000 0.000 0.263 210 E C -2.069 174.548 176.600 0.029 0.000 1.046 210 E CA -1.404 55.016 56.400 0.033 0.000 0.908 210 E CB 0.091 29.815 29.700 0.039 0.000 0.963 210 E HN 0.176 nan 8.360 nan 0.000 0.431 211 P HA 0.031 nan 4.420 nan 0.000 0.268 211 P C -0.876 176.439 177.300 0.024 0.000 1.208 211 P CA 0.150 63.265 63.100 0.025 0.000 0.777 211 P CB 0.532 32.245 31.700 0.021 0.000 0.875 212 A N 1.584 124.421 122.820 0.028 0.000 2.282 212 A HA 0.678 4.998 4.320 -0.000 0.000 0.319 212 A C -0.461 177.139 177.584 0.027 0.000 1.121 212 A CA -0.449 51.605 52.037 0.027 0.000 0.836 212 A CB 0.766 19.783 19.000 0.028 0.000 1.146 212 A HN 0.390 nan 8.150 nan 0.000 0.494 213 V N -1.336 118.592 119.914 0.024 0.000 2.789 213 V HA 0.989 5.109 4.120 -0.000 0.000 0.311 213 V C 0.148 176.260 176.094 0.030 0.000 1.073 213 V CA 0.083 62.398 62.300 0.026 0.000 0.921 213 V CB 1.114 32.941 31.823 0.006 0.000 1.009 213 V HN 1.763 nan 8.190 nan 0.000 0.426 214 G N 1.838 110.662 108.800 0.039 0.000 2.550 214 G HA2 0.668 4.628 3.960 -0.000 0.000 0.293 214 G HA3 0.668 4.628 3.960 -0.000 0.000 0.293 214 G C -2.772 172.153 174.900 0.042 0.000 1.402 214 G CA -0.442 44.679 45.100 0.036 0.000 0.784 214 G HN 0.471 nan 8.290 nan 0.000 0.482 215 P HA -0.011 nan 4.420 nan 0.000 0.234 215 P C 0.469 177.783 177.300 0.023 0.000 1.167 215 P CA 0.846 63.964 63.100 0.029 0.000 0.763 215 P CB 0.125 31.836 31.700 0.020 0.000 0.835 216 N N -1.729 116.985 118.700 0.024 0.000 2.184 216 N HA 0.050 4.790 4.740 -0.000 0.000 0.206 216 N C -0.123 175.406 175.510 0.031 0.000 1.151 216 N CA -0.004 53.053 53.050 0.012 0.000 0.878 216 N CB 0.128 38.617 38.487 0.004 0.000 1.014 216 N HN -0.079 nan 8.380 nan 0.000 0.512 217 T N 1.722 116.313 114.554 0.063 0.000 2.916 217 T HA 0.177 4.527 4.350 -0.000 0.000 0.303 217 T C 0.265 175.042 174.700 0.129 0.000 1.025 217 T CA 0.103 62.265 62.100 0.103 0.000 1.142 217 T CB 0.676 69.613 68.868 0.115 0.000 0.947 217 T HN 0.000 nan 8.240 nan 0.000 0.544 218 R N 2.081 122.667 120.500 0.143 0.000 2.589 218 R HA 0.613 4.953 4.340 -0.000 0.000 0.293 218 R C -0.752 175.673 176.300 0.208 0.000 0.963 218 R CA -0.701 55.468 56.100 0.114 0.000 0.905 218 R CB 1.510 31.857 30.300 0.079 0.000 1.144 218 R HN 0.723 nan 8.270 nan 0.000 0.459 219 F N 0.014 119.965 119.950 0.002 0.000 2.588 219 F HA 0.724 5.251 4.527 -0.000 0.000 0.310 219 F C -1.035 174.734 175.800 -0.053 0.000 1.082 219 F CA -1.278 56.717 58.000 -0.009 0.000 0.929 219 F CB 1.458 40.462 39.000 0.007 0.000 1.254 219 F HN 0.426 nan 8.300 nan 0.000 0.455 220 I N 3.686 124.272 120.570 0.027 0.000 2.647 220 I HA 0.545 4.715 4.170 -0.000 0.000 0.295 220 I C -1.680 174.545 176.117 0.180 0.000 1.078 220 I CA -1.217 60.011 61.300 -0.119 0.000 1.048 220 I CB 2.147 39.879 38.000 -0.447 0.000 1.239 220 I HN 0.741 nan 8.210 nan 0.000 0.421 221 L N 7.237 128.584 121.223 0.206 0.000 2.275 221 L HA 0.524 4.864 4.340 -0.000 0.000 0.288 221 L C 1.073 178.253 176.870 0.516 0.000 1.046 221 L CA -0.345 54.703 54.840 0.347 0.000 0.805 221 L CB 1.539 43.812 42.059 0.357 0.000 1.193 221 L HN 0.765 nan 8.230 nan 0.000 0.426 222 A N 2.746 125.771 122.820 0.342 0.000 2.067 222 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 222 A C 0.774 178.371 177.584 0.021 0.000 1.156 222 A CA 0.753 52.833 52.037 0.072 0.000 0.683 222 A CB 0.080 18.991 19.000 -0.148 0.000 0.808 222 A HN 0.720 nan 8.150 nan 0.000 0.455 223 Q N -0.962 118.801 119.800 -0.061 0.000 2.356 223 Q HA 0.285 4.624 4.340 -0.000 0.000 0.270 223 Q C -2.365 173.184 176.000 -0.751 0.000 1.058 223 Q CA -2.047 53.422 55.803 -0.558 0.000 0.802 223 Q CB 2.189 30.270 28.738 -1.094 0.000 1.303 223 Q HN 0.123 nan 8.270 nan 0.000 0.444 224 P HA -0.062 nan 4.420 nan 0.000 0.233 224 P C 0.488 177.604 177.300 -0.307 0.000 1.167 224 P CA 0.845 63.331 63.100 -1.023 0.000 0.770 224 P CB -0.089 30.979 31.700 -1.054 0.000 0.837 225 F N -1.847 118.056 119.950 -0.079 0.000 2.757 225 F HA 0.373 4.900 4.527 -0.000 0.000 0.292 225 F C 0.688 176.516 175.800 0.047 0.000 1.204 225 F CA -0.513 57.501 58.000 0.023 0.000 1.417 225 F CB -1.018 37.985 39.000 0.004 0.000 1.001 225 F HN -0.304 nan 8.300 nan 0.000 0.508 226 L N 1.177 122.446 121.223 0.076 0.000 3.096 226 L HA 0.412 4.752 4.340 -0.000 0.000 0.247 226 L C 1.793 178.722 176.870 0.098 0.000 1.321 226 L CA -0.346 54.546 54.840 0.087 0.000 1.044 226 L CB 0.341 42.416 42.059 0.027 0.000 1.434 226 L HN 0.483 nan 8.230 nan 0.000 0.533 227 G N -0.153 108.732 108.800 0.142 0.000 2.414 227 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 227 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 227 G C 1.329 176.322 174.900 0.154 0.000 1.188 227 G CA 0.392 45.611 45.100 0.197 0.000 0.783 227 G HN 0.425 nan 8.290 nan 0.000 0.537 228 E N 0.460 120.713 120.200 0.089 0.000 2.107 228 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 228 E C 2.660 179.277 176.600 0.029 0.000 0.982 228 E CA 1.350 57.784 56.400 0.056 0.000 0.809 228 E CB -0.694 29.018 29.700 0.021 0.000 0.756 228 E HN 0.332 nan 8.360 nan 0.000 0.459 229 T N 1.396 115.954 114.554 0.007 0.000 2.746 229 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 229 T C 2.059 176.704 174.700 -0.091 0.000 1.039 229 T CA 1.813 63.882 62.100 -0.052 0.000 1.142 229 T CB -0.448 68.384 68.868 -0.059 0.000 0.866 229 T HN 0.172 nan 8.240 nan 0.000 0.444 230 T N 1.310 115.864 114.554 -0.000 0.000 2.635 230 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 230 T C 2.258 177.015 174.700 0.095 0.000 1.040 230 T CA 1.536 63.691 62.100 0.092 0.000 1.156 230 T CB -0.979 68.020 68.868 0.218 0.000 0.863 230 T HN 0.536 nan 8.240 nan 0.000 0.430 231 G N 0.853 109.715 108.800 0.103 0.000 2.440 231 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 231 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 231 G C 1.787 176.717 174.900 0.050 0.000 1.154 231 G CA 0.984 46.145 45.100 0.102 0.000 0.767 231 G HN 0.607 nan 8.290 nan 0.000 0.552 232 A N 0.227 123.049 122.820 0.004 0.000 1.968 232 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 232 A C 2.407 179.958 177.584 -0.055 0.000 1.169 232 A CA 0.946 52.973 52.037 -0.016 0.000 0.638 232 A CB -0.266 18.720 19.000 -0.023 0.000 0.812 232 A HN 0.351 nan 8.150 nan 0.000 0.446 233 L N -0.846 120.287 121.223 -0.151 0.000 2.109 233 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 233 L C 2.510 179.355 176.870 -0.041 0.000 1.086 233 L CA 1.409 56.106 54.840 -0.238 0.000 0.760 233 L CB -0.496 41.097 42.059 -0.777 0.000 0.910 233 L HN 0.435 nan 8.230 nan 0.000 0.437 234 E N -0.190 120.050 120.200 0.067 0.000 2.110 234 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 234 E C 2.304 178.952 176.600 0.081 0.000 0.988 234 E CA 0.769 57.255 56.400 0.144 0.000 0.804 234 E CB 0.006 29.812 29.700 0.176 0.000 0.745 234 E HN 0.301 nan 8.360 nan 0.000 0.458 235 R N 0.382 120.914 120.500 0.053 0.000 2.096 235 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 235 R C 1.944 178.265 176.300 0.034 0.000 1.127 235 R CA 0.898 57.023 56.100 0.042 0.000 0.968 235 R CB 0.134 30.454 30.300 0.035 0.000 0.861 235 R HN -0.040 nan 8.270 nan 0.000 0.440 236 R N -0.871 119.644 120.500 0.025 0.000 2.307 236 R HA 0.035 4.375 4.340 -0.000 0.000 0.199 236 R C 1.125 177.447 176.300 0.036 0.000 1.000 236 R CA 0.971 57.085 56.100 0.023 0.000 1.023 236 R CB 0.322 30.625 30.300 0.006 0.000 0.908 236 R HN 0.557 nan 8.270 nan 0.000 0.473 237 G N -0.848 107.983 108.800 0.052 0.000 2.184 237 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.206 237 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.206 237 G C 0.286 175.237 174.900 0.085 0.000 0.995 237 G CA 0.003 45.137 45.100 0.058 0.000 0.651 237 G HN 0.569 nan 8.290 nan 0.000 0.511 238 A N -0.037 122.861 122.820 0.130 0.000 2.313 238 A HA 0.723 5.043 4.320 -0.000 0.000 0.261 238 A C 0.378 178.115 177.584 0.254 0.000 1.090 238 A CA 0.657 52.825 52.037 0.217 0.000 0.807 238 A CB 0.682 19.871 19.000 0.314 0.000 1.055 238 A HN 0.592 nan 8.150 nan 0.000 0.492 239 K N 0.770 121.262 120.400 0.153 0.000 2.376 239 K HA 0.348 4.668 4.320 -0.000 0.000 0.257 239 K C -0.326 176.032 176.600 -0.403 0.000 0.939 239 K CA -0.575 55.686 56.287 -0.043 0.000 0.809 239 K CB 1.168 33.627 32.500 -0.068 0.000 1.121 239 K HN 0.769 nan 8.250 nan 0.000 0.425 240 R N 4.171 124.260 120.500 -0.685 0.000 2.491 240 R HA 0.192 4.532 4.340 -0.000 0.000 0.283 240 R C -0.372 175.592 176.300 -0.560 0.000 1.072 240 R CA -0.107 55.342 56.100 -1.085 0.000 1.048 240 R CB 0.397 30.237 30.300 -0.767 0.000 0.983 240 R HN 0.563 nan 8.270 nan 0.000 0.450 241 I N 3.913 124.167 120.570 -0.526 0.000 2.301 241 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 241 I C 0.452 176.347 176.117 -0.370 0.000 1.046 241 I CA -0.414 60.664 61.300 -0.369 0.000 1.282 241 I CB 1.512 39.310 38.000 -0.338 0.000 1.409 241 I HN 0.622 nan 8.210 nan 0.000 0.484 242 A N 5.792 128.437 122.820 -0.292 0.000 2.440 242 A HA 0.764 5.084 4.320 -0.000 0.000 0.251 242 A C 0.120 177.527 177.584 -0.296 0.000 1.089 242 A CA -0.029 51.851 52.037 -0.262 0.000 0.779 242 A CB 0.326 19.219 19.000 -0.179 0.000 1.022 242 A HN 0.898 nan 8.150 nan 0.000 0.492 243 A N 3.694 126.308 122.820 -0.344 0.000 2.605 243 A HA 0.809 5.128 4.320 -0.000 0.000 0.294 243 A C -3.148 174.218 177.584 -0.364 0.000 1.062 243 A CA -1.272 50.566 52.037 -0.331 0.000 0.682 243 A CB 1.088 19.817 19.000 -0.452 0.000 1.278 243 A HN 0.622 nan 8.150 nan 0.000 0.410 244 P HA 0.459 nan 4.420 nan 0.000 0.274 244 P C -0.705 176.477 177.300 -0.196 0.000 1.246 244 P CA 0.018 63.023 63.100 -0.158 0.000 0.795 244 P CB 0.260 31.950 31.700 -0.017 0.000 1.006 245 F N 0.979 120.948 119.950 0.031 0.000 2.389 245 F HA 0.246 4.773 4.527 -0.000 0.000 0.337 245 F C -1.256 174.253 175.800 -0.485 0.000 1.112 245 F CA -1.919 55.984 58.000 -0.160 0.000 1.192 245 F CB 0.072 39.001 39.000 -0.119 0.000 1.185 245 F HN 0.192 nan 8.300 nan 0.000 0.552 246 P HA 0.121 nan 4.420 nan 0.000 0.225 246 P C -1.092 175.544 177.300 -1.107 0.000 1.813 246 P CA 0.282 62.728 63.100 -1.090 0.000 1.013 246 P CB -0.709 29.811 31.700 -1.967 0.000 1.961 247 F N 1.381 121.080 119.950 -0.418 0.000 2.444 247 F HA 0.626 5.153 4.527 -0.000 0.000 0.342 247 F C 1.378 176.940 175.800 -0.396 0.000 1.121 247 F CA -0.104 57.594 58.000 -0.502 0.000 0.997 247 F CB 1.835 40.537 39.000 -0.498 0.000 1.130 247 F HN 0.372 nan 8.300 nan 0.000 0.454 248 G N 2.541 111.175 108.800 -0.277 0.000 2.796 248 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.571 248 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.571 248 G C 0.594 175.557 174.900 0.105 0.000 1.370 248 G CA -0.054 45.060 45.100 0.022 0.000 0.856 248 G HN 0.663 nan 8.290 nan 0.000 0.538 249 E N -0.069 120.286 120.200 0.259 0.000 2.051 249 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 249 E C 2.117 178.872 176.600 0.259 0.000 0.991 249 E CA 2.101 58.698 56.400 0.328 0.000 0.799 249 E CB -0.155 29.706 29.700 0.269 0.000 0.748 249 E HN 0.689 nan 8.360 nan 0.000 0.449 250 E N -0.627 119.683 120.200 0.184 0.000 2.072 250 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 250 E C 2.068 178.720 176.600 0.087 0.000 0.982 250 E CA 0.940 57.418 56.400 0.129 0.000 0.803 250 E CB -0.353 29.399 29.700 0.085 0.000 0.755 250 E HN 0.320 nan 8.360 nan 0.000 0.453 251 G N 0.225 109.064 108.800 0.066 0.000 2.491 251 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.218 251 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.218 251 G C 1.636 176.472 174.900 -0.107 0.000 1.180 251 G CA 1.544 46.639 45.100 -0.008 0.000 0.774 251 G HN 0.298 nan 8.290 nan 0.000 0.562 252 T N 0.910 115.316 114.554 -0.247 0.000 2.720 252 T HA -0.123 4.226 4.350 -0.000 0.000 0.268 252 T C 2.611 177.251 174.700 -0.101 0.000 1.037 252 T CA 1.825 63.656 62.100 -0.447 0.000 1.144 252 T CB -0.559 67.765 68.868 -0.906 0.000 0.864 252 T HN 0.316 nan 8.240 nan 0.000 0.444 253 T N 2.370 116.991 114.554 0.113 0.000 2.708 253 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 253 T C 1.825 176.709 174.700 0.305 0.000 1.037 253 T CA 0.677 62.992 62.100 0.358 0.000 1.146 253 T CB -0.355 68.733 68.868 0.367 0.000 0.865 253 T HN 0.070 nan 8.240 nan 0.000 0.435 254 L N -0.497 120.820 121.223 0.156 0.000 2.131 254 L HA 0.049 4.389 4.340 -0.000 0.000 0.210 254 L C 1.931 178.835 176.870 0.058 0.000 1.092 254 L CA 1.141 56.022 54.840 0.068 0.000 0.759 254 L CB -1.192 40.882 42.059 0.025 0.000 0.903 254 L HN 0.446 nan 8.230 nan 0.000 0.435 255 W N -0.689 120.541 121.300 -0.116 0.000 2.408 255 W HA -0.172 4.488 4.660 -0.000 0.000 0.311 255 W C 2.279 178.763 176.519 -0.058 0.000 1.190 255 W CA 0.675 57.922 57.345 -0.163 0.000 1.321 255 W CB -0.053 29.238 29.460 -0.280 0.000 1.143 255 W HN 0.003 nan 8.180 nan 0.000 0.501 256 L N 1.563 123.021 121.223 0.393 0.000 2.012 256 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 256 L C 2.441 179.446 176.870 0.225 0.000 1.073 256 L CA 2.443 57.521 54.840 0.396 0.000 0.748 256 L CB -1.893 40.513 42.059 0.578 0.000 0.891 256 L HN 0.050 nan 8.230 nan 0.000 0.431 257 K N -0.071 120.384 120.400 0.091 0.000 2.089 257 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 257 K C 1.957 178.380 176.600 -0.295 0.000 1.048 257 K CA 1.867 57.886 56.287 -0.446 0.000 0.926 257 K CB -0.384 31.868 32.500 -0.413 0.000 0.714 257 K HN 0.250 nan 8.250 nan 0.000 0.448 258 A N 0.109 122.798 122.820 -0.219 0.000 1.969 258 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 258 A C 2.269 179.719 177.584 -0.223 0.000 1.169 258 A CA 1.574 53.467 52.037 -0.240 0.000 0.635 258 A CB -0.533 18.292 19.000 -0.291 0.000 0.810 258 A HN 0.157 nan 8.150 nan 0.000 0.445 259 V N -0.076 119.693 119.914 -0.241 0.000 2.270 259 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 259 V C 3.061 179.145 176.094 -0.017 0.000 1.043 259 V CA 1.807 64.010 62.300 -0.161 0.000 1.014 259 V CB -1.420 30.257 31.823 -0.244 0.000 0.645 259 V HN 0.591 nan 8.190 nan 0.000 0.447 260 A N 0.361 123.161 122.820 -0.034 0.000 1.873 260 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 260 A C 1.974 179.548 177.584 -0.017 0.000 1.193 260 A CA 2.408 54.447 52.037 0.003 0.000 0.629 260 A CB -0.833 18.135 19.000 -0.054 0.000 0.826 260 A HN 0.555 nan 8.150 nan 0.000 0.447 261 D N -0.220 120.117 120.400 -0.104 0.000 2.178 261 D HA -0.011 4.628 4.640 -0.000 0.000 0.201 261 D C 2.125 178.388 176.300 -0.062 0.000 0.980 261 D CA 1.396 55.337 54.000 -0.100 0.000 0.842 261 D CB -0.409 40.305 40.800 -0.144 0.000 0.948 261 D HN 0.466 nan 8.370 nan 0.000 0.472 262 A N -0.451 122.350 122.820 -0.032 0.000 1.969 262 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 262 A C 1.451 178.963 177.584 -0.120 0.000 1.169 262 A CA 0.876 52.874 52.037 -0.064 0.000 0.635 262 A CB -0.588 18.398 19.000 -0.023 0.000 0.810 262 A HN 0.288 nan 8.150 nan 0.000 0.445 263 Y N -1.007 119.246 120.300 -0.077 0.000 2.485 263 Y HA 0.359 4.909 4.550 -0.000 0.000 0.260 263 Y C 1.655 177.534 175.900 -0.035 0.000 1.173 263 Y CA 0.247 58.318 58.100 -0.050 0.000 1.252 263 Y CB 0.388 38.825 38.460 -0.038 0.000 1.123 263 Y HN 0.424 nan 8.280 nan 0.000 0.524 264 G N 0.690 109.518 108.800 0.047 0.000 2.179 264 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 264 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 264 G C -0.027 174.899 174.900 0.044 0.000 1.010 264 G CA 0.261 45.373 45.100 0.020 0.000 0.736 264 G HN 0.120 nan 8.290 nan 0.000 0.513 265 V N 1.638 121.593 119.914 0.069 0.000 2.572 265 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 265 V C 1.430 177.560 176.094 0.060 0.000 1.039 265 V CA 0.239 62.585 62.300 0.077 0.000 1.055 265 V CB 1.245 33.133 31.823 0.109 0.000 0.969 265 V HN 0.987 nan 8.190 nan 0.000 0.482 266 S N 4.425 120.163 115.700 0.064 0.000 2.579 266 S HA 0.355 4.825 4.470 -0.000 0.000 0.275 266 S C 1.327 175.980 174.600 0.088 0.000 1.345 266 S CA -0.036 58.197 58.200 0.055 0.000 1.031 266 S CB 1.350 64.578 63.200 0.047 0.000 0.892 266 S HN 1.056 nan 8.310 nan 0.000 0.529 267 A N 1.655 124.514 122.820 0.067 0.000 1.902 267 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 267 A C 2.226 179.890 177.584 0.132 0.000 1.181 267 A CA 1.393 53.490 52.037 0.100 0.000 0.623 267 A CB -0.909 18.122 19.000 0.053 0.000 0.818 267 A HN 0.915 nan 8.150 nan 0.000 0.443 268 E N 0.047 120.297 120.200 0.083 0.000 2.070 268 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 268 E C 2.000 178.643 176.600 0.072 0.000 1.004 268 E CA 1.272 57.711 56.400 0.065 0.000 0.805 268 E CB -0.236 29.489 29.700 0.042 0.000 0.744 268 E HN 0.488 nan 8.360 nan 0.000 0.451 269 K N -0.077 120.374 120.400 0.086 0.000 2.057 269 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 269 K C 2.143 178.801 176.600 0.096 0.000 1.050 269 K CA 0.517 56.850 56.287 0.077 0.000 0.935 269 K CB -0.481 32.066 32.500 0.079 0.000 0.715 269 K HN 0.095 nan 8.250 nan 0.000 0.439 270 F N 2.754 122.716 119.950 0.020 0.000 2.075 270 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 270 F C 2.230 178.047 175.800 0.028 0.000 1.113 270 F CA 1.582 59.600 58.000 0.030 0.000 1.218 270 F CB 0.047 39.066 39.000 0.030 0.000 0.984 270 F HN 0.005 nan 8.300 nan 0.000 0.472 271 E N 0.337 120.611 120.200 0.124 0.000 2.204 271 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 271 E C 2.169 178.724 176.600 -0.074 0.000 0.990 271 E CA 1.100 57.514 56.400 0.024 0.000 0.821 271 E CB -0.549 29.209 29.700 0.098 0.000 0.750 271 E HN 0.535 nan 8.360 nan 0.000 0.477 272 A N 0.312 123.097 122.820 -0.057 0.000 1.997 272 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 272 A C 2.450 179.976 177.584 -0.096 0.000 1.178 272 A CA 0.342 52.343 52.037 -0.061 0.000 0.698 272 A CB -0.073 18.912 19.000 -0.026 0.000 0.842 272 A HN 0.105 nan 8.150 nan 0.000 0.458 273 V N -0.767 119.073 119.914 -0.123 0.000 2.515 273 V HA -0.136 3.983 4.120 -0.000 0.000 0.250 273 V C 2.519 178.497 176.094 -0.193 0.000 1.058 273 V CA 2.349 64.570 62.300 -0.131 0.000 1.064 273 V CB -0.452 31.307 31.823 -0.106 0.000 0.675 273 V HN 0.580 nan 8.190 nan 0.000 0.461 274 T N -1.100 113.268 114.554 -0.310 0.000 3.044 274 T HA 0.225 4.575 4.350 -0.000 0.000 0.250 274 T C 1.834 176.344 174.700 -0.316 0.000 1.081 274 T CA 0.853 62.731 62.100 -0.369 0.000 1.040 274 T CB 0.053 68.534 68.868 -0.645 0.000 0.962 274 T HN 0.476 nan 8.240 nan 0.000 0.506 275 A N 1.368 124.057 122.820 -0.218 0.000 1.845 275 A HA 0.166 4.486 4.320 -0.000 0.000 0.215 275 A C 2.611 180.092 177.584 -0.172 0.000 1.195 275 A CA 1.975 53.916 52.037 -0.160 0.000 0.616 275 A CB -1.253 17.687 19.000 -0.100 0.000 0.832 275 A HN 0.557 nan 8.150 nan 0.000 0.443 276 A N -0.116 122.611 122.820 -0.156 0.000 1.873 276 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 276 A C 0.239 177.713 177.584 -0.184 0.000 1.186 276 A CA 1.710 53.666 52.037 -0.134 0.000 0.616 276 A CB -1.640 17.305 19.000 -0.093 0.000 0.823 276 A HN 0.461 nan 8.150 nan 0.000 0.442 277 P HA -0.111 nan 4.420 nan 0.000 0.218 277 P C 1.535 178.471 177.300 -0.606 0.000 1.149 277 P CA 0.870 63.747 63.100 -0.372 0.000 0.817 277 P CB -0.112 31.340 31.700 -0.412 0.000 0.785 278 R N -0.409 119.684 120.500 -0.677 0.000 2.081 278 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 278 R C 2.177 178.369 176.300 -0.179 0.000 1.131 278 R CA 1.613 57.435 56.100 -0.464 0.000 0.960 278 R CB -0.992 29.133 30.300 -0.292 0.000 0.856 278 R HN 0.160 nan 8.270 nan 0.000 0.436 279 A N 1.097 123.829 122.820 -0.146 0.000 1.855 279 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 279 A C 2.141 179.701 177.584 -0.040 0.000 1.191 279 A CA 0.865 52.861 52.037 -0.069 0.000 0.613 279 A CB -0.456 18.506 19.000 -0.062 0.000 0.829 279 A HN 0.149 nan 8.150 nan 0.000 0.442 280 R N -0.561 119.907 120.500 -0.053 0.000 2.133 280 R HA -0.266 4.074 4.340 -0.000 0.000 0.245 280 R C 2.405 178.723 176.300 0.031 0.000 1.137 280 R CA 1.888 57.980 56.100 -0.013 0.000 0.947 280 R CB -0.707 29.581 30.300 -0.020 0.000 0.865 280 R HN 0.537 nan 8.270 nan 0.000 0.437 281 A N 0.728 123.575 122.820 0.044 0.000 1.930 281 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 281 A C 2.133 179.793 177.584 0.126 0.000 1.175 281 A CA 1.237 53.350 52.037 0.127 0.000 0.627 281 A CB -0.347 18.792 19.000 0.231 0.000 0.815 281 A HN 0.218 nan 8.150 nan 0.000 0.443 282 K N -0.087 120.364 120.400 0.085 0.000 2.057 282 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 282 K C 2.171 178.812 176.600 0.067 0.000 1.049 282 K CA 1.766 58.100 56.287 0.077 0.000 0.931 282 K CB -0.188 32.339 32.500 0.044 0.000 0.714 282 K HN 0.473 nan 8.250 nan 0.000 0.440 283 K N 0.114 120.542 120.400 0.047 0.000 2.063 283 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 283 K C 1.900 178.532 176.600 0.054 0.000 1.048 283 K CA 1.439 57.748 56.287 0.037 0.000 0.928 283 K CB -0.141 32.372 32.500 0.021 0.000 0.713 283 K HN 0.169 nan 8.250 nan 0.000 0.442 284 A N 0.780 123.650 122.820 0.084 0.000 1.968 284 A HA -0.054 4.265 4.320 -0.000 0.000 0.217 284 A C 2.017 179.721 177.584 0.200 0.000 1.169 284 A CA 1.098 53.205 52.037 0.117 0.000 0.638 284 A CB -0.429 18.651 19.000 0.133 0.000 0.812 284 A HN 0.335 nan 8.150 nan 0.000 0.446 285 I N -0.200 120.495 120.570 0.208 0.000 2.315 285 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 285 I C 2.818 179.043 176.117 0.180 0.000 1.117 285 I CA 0.944 62.397 61.300 0.255 0.000 1.404 285 I CB -0.212 37.913 38.000 0.208 0.000 1.071 285 I HN 0.337 nan 8.210 nan 0.000 0.419 286 A N 0.671 123.546 122.820 0.093 0.000 2.067 286 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 286 A C 2.365 179.949 177.584 0.000 0.000 1.158 286 A CA 1.429 53.491 52.037 0.041 0.000 0.661 286 A CB -0.562 18.452 19.000 0.024 0.000 0.801 286 A HN 0.417 nan 8.150 nan 0.000 0.452 287 A N -1.730 121.056 122.820 -0.058 0.000 2.235 287 A HA 0.005 4.325 4.320 -0.000 0.000 0.208 287 A C 1.481 178.866 177.584 -0.332 0.000 1.172 287 A CA 0.875 52.792 52.037 -0.199 0.000 0.786 287 A CB -0.526 18.314 19.000 -0.266 0.000 0.804 287 A HN 0.649 nan 8.150 nan 0.000 0.479 288 H N -1.463 117.632 119.070 0.042 0.000 2.893 288 H HA 0.265 4.821 4.556 -0.000 0.000 0.270 288 H C 1.492 176.835 175.328 0.026 0.000 1.095 288 H CA -0.094 55.982 56.048 0.046 0.000 1.186 288 H CB 0.237 30.043 29.762 0.073 0.000 1.562 288 H HN 0.382 nan 8.280 nan 0.000 0.536 289 L N 0.625 121.903 121.223 0.092 0.000 2.027 289 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 289 L C 2.384 179.275 176.870 0.036 0.000 1.074 289 L CA 1.073 55.941 54.840 0.047 0.000 0.745 289 L CB -0.167 41.906 42.059 0.022 0.000 0.898 289 L HN 0.172 nan 8.230 nan 0.000 0.433 290 E N -0.310 119.907 120.200 0.029 0.000 2.086 290 E HA -0.326 4.024 4.350 -0.000 0.000 0.205 290 E C 2.098 178.718 176.600 0.033 0.000 1.027 290 E CA 2.316 58.729 56.400 0.023 0.000 0.830 290 E CB -0.620 29.090 29.700 0.015 0.000 0.751 290 E HN 0.461 nan 8.360 nan 0.000 0.456 291 T N -0.017 114.568 114.554 0.052 0.000 2.904 291 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 291 T C 1.763 176.499 174.700 0.060 0.000 1.059 291 T CA 0.521 62.658 62.100 0.062 0.000 1.137 291 T CB 0.095 69.014 68.868 0.086 0.000 0.879 291 T HN -0.069 nan 8.240 nan 0.000 0.467 292 L N 1.263 122.522 121.223 0.059 0.000 2.298 292 L HA 0.346 4.686 4.340 -0.000 0.000 0.209 292 L C 1.307 178.180 176.870 0.005 0.000 1.084 292 L CA 0.894 55.755 54.840 0.037 0.000 0.816 292 L CB -0.897 41.181 42.059 0.031 0.000 0.967 292 L HN 0.226 nan 8.230 nan 0.000 0.460 293 T N 0.087 114.644 114.554 0.004 0.000 2.902 293 T HA 0.372 4.722 4.350 -0.000 0.000 0.301 293 T C 1.187 175.885 174.700 -0.005 0.000 1.012 293 T CA 0.693 62.788 62.100 -0.009 0.000 1.151 293 T CB 0.497 69.362 68.868 -0.004 0.000 0.946 293 T HN 0.548 nan 8.240 nan 0.000 0.542 294 G N 2.475 111.268 108.800 -0.012 0.000 2.184 294 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.264 294 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.264 294 G C 0.191 175.088 174.900 -0.005 0.000 0.975 294 G CA -0.128 44.966 45.100 -0.009 0.000 0.642 294 G HN 0.586 nan 8.290 nan 0.000 0.536 295 K N 1.236 121.634 120.400 -0.003 0.000 2.174 295 K HA 0.522 4.842 4.320 -0.000 0.000 0.275 295 K C 0.647 177.250 176.600 0.004 0.000 1.015 295 K CA 0.293 56.586 56.287 0.010 0.000 0.933 295 K CB 1.531 34.045 32.500 0.024 0.000 1.025 295 K HN 0.565 nan 8.250 nan 0.000 0.463 296 S N 2.089 117.800 115.700 0.019 0.000 2.508 296 S HA 0.506 4.976 4.470 -0.000 0.000 0.284 296 S C -0.343 174.285 174.600 0.048 0.000 1.192 296 S CA -0.962 57.249 58.200 0.020 0.000 1.070 296 S CB 1.013 64.227 63.200 0.023 0.000 1.004 296 S HN 0.447 nan 8.310 nan 0.000 0.493 297 L N 3.445 124.690 121.223 0.037 0.000 2.341 297 L HA 0.796 5.136 4.340 -0.000 0.000 0.278 297 L C -1.119 175.818 176.870 0.112 0.000 1.005 297 L CA -0.688 54.191 54.840 0.064 0.000 0.818 297 L CB 1.412 43.459 42.059 -0.019 0.000 1.259 297 L HN 0.872 nan 8.230 nan 0.000 0.418 301 P HA 0.295 nan 4.420 nan 0.000 0.281 301 P C -0.988 176.437 177.300 0.208 0.000 1.252 301 P CA 0.260 63.471 63.100 0.185 0.000 0.778 301 P CB 1.873 33.664 31.700 0.152 0.000 0.895 302 D N 1.151 121.679 120.400 0.213 0.000 2.315 302 D HA -0.039 4.601 4.640 -0.000 0.000 0.272 302 D C 1.212 177.745 176.300 0.388 0.000 1.238 302 D CA 0.677 54.846 54.000 0.281 0.000 1.160 302 D CB 0.244 41.210 40.800 0.277 0.000 1.780 302 D HN 0.460 nan 8.370 nan 0.000 0.484 303 S N -0.641 115.218 115.700 0.266 0.000 2.649 303 S HA 0.136 4.606 4.470 -0.000 0.000 0.246 303 S C 0.758 175.429 174.600 0.119 0.000 1.057 303 S CA 0.086 58.366 58.200 0.134 0.000 1.051 303 S CB 1.574 64.799 63.200 0.042 0.000 1.018 303 S HN 0.138 nan 8.310 nan 0.000 0.569 304 Q N -0.157 119.737 119.800 0.157 0.000 2.342 304 Q HA -0.137 4.203 4.340 -0.000 0.000 0.196 304 Q C 0.734 176.784 176.000 0.083 0.000 0.629 304 Q CA 1.260 57.159 55.803 0.160 0.000 1.365 304 Q CB -2.151 26.740 28.738 0.256 0.000 1.406 304 Q HN 0.574 nan 8.270 nan 0.000 0.840 305 L N 1.147 122.403 121.223 0.055 0.000 2.492 305 L HA -0.063 4.277 4.340 -0.000 0.000 0.223 305 L C 2.452 179.261 176.870 -0.101 0.000 1.132 305 L CA 0.903 55.709 54.840 -0.056 0.000 0.850 305 L CB -0.416 41.568 42.059 -0.125 0.000 0.966 305 L HN 0.312 nan 8.230 nan 0.000 0.454 306 E N 1.150 121.330 120.200 -0.034 0.000 2.077 306 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 306 E C 2.075 178.645 176.600 -0.050 0.000 0.989 306 E CA 1.289 57.666 56.400 -0.039 0.000 0.800 306 E CB -0.460 29.240 29.700 0.000 0.000 0.746 306 E HN 0.493 nan 8.360 nan 0.000 0.452 307 I N 2.324 122.882 120.570 -0.020 0.000 2.099 307 I HA -0.207 3.963 4.170 -0.000 0.000 0.239 307 I C -0.332 175.803 176.117 0.030 0.000 1.066 307 I CA 1.709 63.011 61.300 0.003 0.000 1.324 307 I CB -1.526 36.490 38.000 0.028 0.000 1.037 307 I HN 0.119 nan 8.210 nan 0.000 0.401 308 P HA -0.164 nan 4.420 nan 0.000 0.216 308 P C 1.993 179.323 177.300 0.049 0.000 1.150 308 P CA 1.654 64.847 63.100 0.156 0.000 0.837 308 P CB -0.062 31.838 31.700 0.332 0.000 0.786 309 L N -0.639 120.493 121.223 -0.152 0.000 2.056 309 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 309 L C 2.748 179.557 176.870 -0.101 0.000 1.078 309 L CA 1.512 56.216 54.840 -0.227 0.000 0.749 309 L CB -1.161 40.702 42.059 -0.327 0.000 0.901 309 L HN -0.061 nan 8.230 nan 0.000 0.433 310 A N -0.130 122.631 122.820 -0.098 0.000 1.940 310 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 310 A C 2.449 180.008 177.584 -0.042 0.000 1.176 310 A CA 1.570 53.550 52.037 -0.095 0.000 0.631 310 A CB -0.591 18.362 19.000 -0.078 0.000 0.814 310 A HN 0.288 nan 8.150 nan 0.000 0.446 311 R N -0.870 119.643 120.500 0.022 0.000 2.083 311 R HA -0.190 4.149 4.340 -0.000 0.000 0.237 311 R C 1.976 178.316 176.300 0.068 0.000 1.137 311 R CA 2.229 58.368 56.100 0.065 0.000 0.951 311 R CB -0.846 29.517 30.300 0.105 0.000 0.851 311 R HN 0.565 nan 8.270 nan 0.000 0.434 312 F N 1.182 121.100 119.950 -0.053 0.000 2.134 312 F HA -0.116 4.410 4.527 -0.000 0.000 0.299 312 F C 2.000 177.740 175.800 -0.101 0.000 1.097 312 F CA 1.265 59.229 58.000 -0.060 0.000 1.264 312 F CB -0.328 38.635 39.000 -0.061 0.000 1.001 312 F HN -0.013 nan 8.300 nan 0.000 0.479 313 L N 0.003 121.023 121.223 -0.339 0.000 2.093 313 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 313 L C 2.789 179.461 176.870 -0.329 0.000 1.085 313 L CA 1.075 55.621 54.840 -0.490 0.000 0.755 313 L CB -1.008 40.801 42.059 -0.417 0.000 0.904 313 L HN 0.292 nan 8.230 nan 0.000 0.435 314 A N 0.052 122.764 122.820 -0.179 0.000 1.872 314 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 314 A C 2.377 179.937 177.584 -0.038 0.000 1.187 314 A CA 1.165 53.158 52.037 -0.073 0.000 0.614 314 A CB -0.306 18.703 19.000 0.014 0.000 0.826 314 A HN 0.274 nan 8.150 nan 0.000 0.442 315 R N -0.482 119.988 120.500 -0.050 0.000 2.075 315 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 315 R C 1.751 177.981 176.300 -0.118 0.000 1.114 315 R CA 1.427 57.497 56.100 -0.049 0.000 0.972 315 R CB -0.148 30.096 30.300 -0.094 0.000 0.869 315 R HN 0.591 nan 8.270 nan 0.000 0.437 316 E N -1.007 119.047 120.200 -0.243 0.000 2.452 316 E HA 0.031 4.381 4.350 -0.000 0.000 0.197 316 E C 0.642 177.053 176.600 -0.314 0.000 1.022 316 E CA 0.177 56.417 56.400 -0.267 0.000 0.890 316 E CB 0.669 30.198 29.700 -0.284 0.000 0.918 316 E HN 0.266 nan 8.360 nan 0.000 0.496 317 C N 0.451 119.533 119.300 -0.362 0.000 3.525 317 C HA 0.391 4.851 4.460 -0.000 0.000 0.289 317 C C 1.072 175.973 174.990 -0.149 0.000 1.496 317 C CA -0.179 58.679 59.018 -0.267 0.000 1.804 317 C CB -0.334 27.175 27.740 -0.384 0.000 2.708 317 C HN 0.559 nan 8.230 nan 0.000 0.642 321 T N -0.186 114.332 114.554 -0.060 0.000 2.909 321 T HA 0.447 4.797 4.350 -0.000 0.000 0.289 321 T C 0.862 175.523 174.700 -0.066 0.000 1.005 321 T CA 0.188 62.247 62.100 -0.068 0.000 1.084 321 T CB 1.443 70.263 68.868 -0.080 0.000 0.975 321 T HN 0.644 nan 8.240 nan 0.000 0.509 322 T N -0.283 114.227 114.554 -0.074 0.000 3.066 322 T HA 0.355 4.705 4.350 -0.000 0.000 0.176 322 T C 0.139 174.736 174.700 -0.171 0.000 0.826 322 T CA -0.448 61.611 62.100 -0.069 0.000 1.280 322 T CB -0.280 68.607 68.868 0.032 0.000 2.214 322 T HN 0.732 nan 8.240 nan 0.000 0.399 323 E N 0.324 120.313 120.200 -0.351 0.000 2.174 323 E HA 0.521 4.871 4.350 -0.000 0.000 0.282 323 E C -1.661 174.518 176.600 -0.701 0.000 0.992 323 E CA -0.675 55.377 56.400 -0.580 0.000 0.803 323 E CB 0.729 29.966 29.700 -0.771 0.000 1.090 323 E HN 0.383 nan 8.360 nan 0.000 0.396 324 I N 3.691 124.012 120.570 -0.415 0.000 2.418 324 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 324 I C -0.500 175.474 176.117 -0.239 0.000 1.008 324 I CA -0.162 60.952 61.300 -0.309 0.000 1.104 324 I CB 1.751 39.645 38.000 -0.177 0.000 1.264 324 I HN 0.549 nan 8.210 nan 0.000 0.438 325 A N 3.936 126.627 122.820 -0.215 0.000 2.355 325 A HA 0.916 5.236 4.320 -0.000 0.000 0.324 325 A C -0.456 177.112 177.584 -0.026 0.000 1.117 325 A CA -0.552 51.411 52.037 -0.124 0.000 0.785 325 A CB 1.697 20.613 19.000 -0.140 0.000 1.254 325 A HN 0.527 nan 8.150 nan 0.000 0.453 326 T N 1.445 116.006 114.554 0.011 0.000 2.912 326 T HA 0.610 4.960 4.350 -0.000 0.000 0.299 326 T C -2.218 172.545 174.700 0.106 0.000 1.052 326 T CA -1.622 60.517 62.100 0.066 0.000 0.996 326 T CB 1.822 70.723 68.868 0.055 0.000 1.070 326 T HN 0.348 nan 8.240 nan 0.000 0.465 327 P HA 0.115 nan 4.420 nan 0.000 0.221 327 P C -0.110 177.355 177.300 0.275 0.000 1.150 327 P CA 0.628 63.843 63.100 0.192 0.000 0.800 327 P CB 0.119 31.941 31.700 0.204 0.000 0.787 328 F N -0.053 119.951 119.950 0.090 0.000 2.588 328 F HA 0.492 5.019 4.527 -0.000 0.000 0.314 328 F C -1.640 174.220 175.800 0.101 0.000 1.134 328 F CA -1.449 56.608 58.000 0.094 0.000 0.961 328 F CB 1.626 40.694 39.000 0.113 0.000 1.239 328 F HN -0.381 nan 8.300 nan 0.000 0.448 329 L N 7.053 127.900 121.223 -0.628 0.000 2.337 329 L HA 0.356 4.696 4.340 -0.000 0.000 0.269 329 L C -1.211 175.322 176.870 -0.562 0.000 1.018 329 L CA -0.379 54.220 54.840 -0.402 0.000 0.876 329 L CB -0.049 41.881 42.059 -0.214 0.000 1.236 329 L HN 0.655 nan 8.230 nan 0.000 0.436 330 H N 4.561 123.397 119.070 -0.389 0.000 2.934 330 H HA 0.188 4.744 4.556 -0.000 0.000 0.273 330 H C 0.673 175.981 175.328 -0.033 0.000 1.121 330 H CA 0.019 55.983 56.048 -0.141 0.000 1.451 330 H CB 1.075 30.956 29.762 0.199 0.000 1.469 330 H HN 0.515 nan 8.280 nan 0.000 0.476 331 K N 3.799 124.234 120.400 0.058 0.000 2.032 331 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 331 K C 1.912 178.622 176.600 0.183 0.000 1.048 331 K CA 1.382 57.718 56.287 0.083 0.000 0.927 331 K CB -0.361 32.135 32.500 -0.007 0.000 0.712 331 K HN 0.664 nan 8.250 nan 0.000 0.441 332 A N 1.380 124.380 122.820 0.300 0.000 1.902 332 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 332 A C 1.627 179.298 177.584 0.145 0.000 1.181 332 A CA 0.766 52.931 52.037 0.214 0.000 0.623 332 A CB -0.398 18.754 19.000 0.253 0.000 0.818 332 A HN 0.184 nan 8.150 nan 0.000 0.443 336 P HA -0.115 nan 4.420 nan 0.000 0.215 336 P C 0.666 177.981 177.300 0.025 0.000 1.157 336 P CA 1.667 64.760 63.100 -0.012 0.000 0.868 336 P CB -0.059 31.600 31.700 -0.067 0.000 0.788 337 D N -0.798 119.644 120.400 0.070 0.000 2.117 337 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 337 D C 2.064 178.415 176.300 0.085 0.000 0.982 337 D CA 0.926 54.989 54.000 0.106 0.000 0.828 337 D CB -0.379 40.537 40.800 0.193 0.000 0.967 337 D HN 0.147 nan 8.370 nan 0.000 0.464 338 L N 0.928 122.196 121.223 0.076 0.000 2.127 338 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 338 L C 2.486 179.389 176.870 0.055 0.000 1.089 338 L CA 0.889 55.764 54.840 0.057 0.000 0.757 338 L CB -0.311 41.775 42.059 0.044 0.000 0.899 338 L HN -0.023 nan 8.230 nan 0.000 0.434 339 A N -0.583 122.266 122.820 0.048 0.000 2.119 339 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 339 A C 2.047 179.671 177.584 0.067 0.000 1.153 339 A CA 0.989 53.054 52.037 0.046 0.000 0.692 339 A CB -0.263 18.751 19.000 0.023 0.000 0.799 339 A HN 0.439 nan 8.150 nan 0.000 0.458 340 L N -0.980 120.284 121.223 0.068 0.000 2.556 340 L HA 0.269 4.609 4.340 -0.000 0.000 0.226 340 L C 0.439 177.416 176.870 0.178 0.000 1.089 340 L CA -0.273 54.606 54.840 0.065 0.000 0.864 340 L CB -0.052 42.012 42.059 0.008 0.000 1.067 340 L HN 0.212 nan 8.230 nan 0.000 0.477 341 L N 1.601 122.918 121.223 0.157 0.000 2.426 341 L HA 0.158 4.498 4.340 -0.000 0.000 0.271 341 L C -1.990 174.985 176.870 0.175 0.000 1.169 341 L CA -1.743 53.189 54.840 0.154 0.000 0.836 341 L CB 0.537 42.637 42.059 0.068 0.000 1.112 341 L HN -0.236 nan 8.230 nan 0.000 0.465 342 P HA 0.000 nan 4.420 nan 0.000 0.267 342 P C 0.249 177.486 177.300 -0.106 0.000 1.209 342 P CA -0.041 62.977 63.100 -0.136 0.000 0.763 342 P CB 0.606 32.198 31.700 -0.180 0.000 0.816 343 S N 2.155 117.775 115.700 -0.132 0.000 2.537 343 S HA -0.165 4.305 4.470 -0.000 0.000 0.240 343 S C 1.387 175.938 174.600 -0.082 0.000 0.981 343 S CA 0.690 58.842 58.200 -0.080 0.000 0.948 343 S CB -0.942 62.215 63.200 -0.071 0.000 0.759 343 S HN 0.577 nan 8.310 nan 0.000 0.531 344 N N 1.429 120.067 118.700 -0.103 0.000 2.457 344 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 344 N C -0.275 175.190 175.510 -0.075 0.000 1.050 344 N CA 0.486 53.484 53.050 -0.086 0.000 0.906 344 N CB -0.796 37.634 38.487 -0.095 0.000 0.968 344 N HN 0.192 nan 8.380 nan 0.000 0.445 345 T N 1.625 116.133 114.554 -0.076 0.000 2.829 345 T HA 0.288 4.638 4.350 -0.000 0.000 0.293 345 T C 0.273 174.924 174.700 -0.082 0.000 0.970 345 T CA -0.201 61.851 62.100 -0.080 0.000 1.168 345 T CB 0.786 69.612 68.868 -0.070 0.000 0.911 345 T HN 0.351 nan 8.240 nan 0.000 0.535 346 A N 5.073 127.832 122.820 -0.101 0.000 2.347 346 A HA 0.524 4.844 4.320 -0.000 0.000 0.287 346 A C 0.118 177.626 177.584 -0.127 0.000 1.199 346 A CA -0.550 51.425 52.037 -0.103 0.000 0.851 346 A CB -0.077 18.861 19.000 -0.103 0.000 1.118 346 A HN 0.869 nan 8.150 nan 0.000 0.525 347 L N 2.779 123.944 121.223 -0.097 0.000 2.307 347 L HA 0.493 4.833 4.340 -0.000 0.000 0.282 347 L C 0.040 176.856 176.870 -0.090 0.000 1.051 347 L CA -0.191 54.593 54.840 -0.094 0.000 0.804 347 L CB 1.913 43.932 42.059 -0.065 0.000 1.197 347 L HN 0.691 nan 8.230 nan 0.000 0.431 348 T N 1.900 116.395 114.554 -0.098 0.000 2.876 348 T HA 0.290 4.640 4.350 -0.000 0.000 0.289 348 T C -0.809 173.863 174.700 -0.046 0.000 1.014 348 T CA -0.607 61.449 62.100 -0.073 0.000 0.986 348 T CB 2.119 70.933 68.868 -0.090 0.000 1.021 348 T HN 0.498 nan 8.240 nan 0.000 0.458 349 E N 1.815 121.999 120.200 -0.027 0.000 2.145 349 E HA 0.535 4.885 4.350 -0.000 0.000 0.262 349 E C 0.324 176.943 176.600 0.031 0.000 0.883 349 E CA -0.237 56.160 56.400 -0.004 0.000 0.748 349 E CB 0.499 30.176 29.700 -0.039 0.000 1.140 349 E HN 1.000 nan 8.360 nan 0.000 0.417 350 G N 3.548 112.385 108.800 0.061 0.000 2.416 350 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.203 350 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.203 350 G C -1.101 173.842 174.900 0.072 0.000 1.227 350 G CA -0.158 44.989 45.100 0.077 0.000 1.041 350 G HN 0.781 nan 8.290 nan 0.000 0.546 351 Q N -1.017 118.826 119.800 0.072 0.000 2.805 351 Q HA 0.495 4.834 4.340 -0.000 0.000 0.257 351 Q C -2.184 173.859 176.000 0.071 0.000 0.977 351 Q CA -0.441 55.410 55.803 0.080 0.000 0.901 351 Q CB 1.313 30.125 28.738 0.124 0.000 1.778 351 Q HN 0.775 nan 8.270 nan 0.000 0.441 352 D N 2.033 122.475 120.400 0.070 0.000 2.441 352 D HA 0.226 4.866 4.640 -0.000 0.000 0.231 352 D C 0.319 176.669 176.300 0.083 0.000 1.073 352 D CA -0.663 53.375 54.000 0.063 0.000 0.850 352 D CB 1.450 42.280 40.800 0.049 0.000 1.062 352 D HN 0.594 nan 8.370 nan 0.000 0.524 353 L N 3.876 125.148 121.223 0.082 0.000 2.021 353 L HA -0.174 4.165 4.340 -0.000 0.000 0.215 353 L C 1.738 178.673 176.870 0.108 0.000 1.074 353 L CA 1.932 56.836 54.840 0.107 0.000 0.760 353 L CB -0.240 41.850 42.059 0.052 0.000 0.889 353 L HN 0.491 nan 8.230 nan 0.000 0.433 354 E N -0.415 119.826 120.200 0.069 0.000 2.106 354 E HA -0.134 4.215 4.350 -0.000 0.000 0.192 354 E C 2.204 178.848 176.600 0.072 0.000 0.984 354 E CA 1.199 57.635 56.400 0.060 0.000 0.806 354 E CB -0.428 29.295 29.700 0.038 0.000 0.750 354 E HN 0.647 nan 8.360 nan 0.000 0.458 355 A N 1.120 123.982 122.820 0.071 0.000 1.933 355 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 355 A C 2.163 179.803 177.584 0.094 0.000 1.175 355 A CA 1.757 53.836 52.037 0.070 0.000 0.628 355 A CB -0.485 18.549 19.000 0.056 0.000 0.814 355 A HN 0.229 nan 8.150 nan 0.000 0.444 356 Q N -0.549 119.328 119.800 0.127 0.000 2.123 356 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 356 Q C 1.908 178.024 176.000 0.194 0.000 0.966 356 Q CA 1.082 56.984 55.803 0.165 0.000 0.845 356 Q CB -0.207 28.648 28.738 0.194 0.000 0.907 356 Q HN 0.685 nan 8.270 nan 0.000 0.439 357 L N 0.616 121.965 121.223 0.211 0.000 2.131 357 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 357 L C 1.838 178.784 176.870 0.126 0.000 1.092 357 L CA 0.904 55.849 54.840 0.176 0.000 0.759 357 L CB -0.328 41.798 42.059 0.112 0.000 0.903 357 L HN 0.222 nan 8.230 nan 0.000 0.435 358 D N 0.003 120.462 120.400 0.098 0.000 2.117 358 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 358 D C 2.370 178.707 176.300 0.062 0.000 0.982 358 D CA 1.005 55.047 54.000 0.070 0.000 0.828 358 D CB -0.034 40.800 40.800 0.056 0.000 0.967 358 D HN 0.271 nan 8.370 nan 0.000 0.464 359 R N -0.338 120.212 120.500 0.083 0.000 2.075 359 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 359 R C 2.263 178.600 176.300 0.061 0.000 1.126 359 R CA 1.148 57.303 56.100 0.092 0.000 0.963 359 R CB -0.543 29.839 30.300 0.137 0.000 0.858 359 R HN 0.362 nan 8.270 nan 0.000 0.435 360 H N 1.089 120.074 119.070 -0.141 0.000 2.319 360 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 360 H C 2.073 177.202 175.328 -0.333 0.000 1.092 360 H CA 2.076 57.804 56.048 -0.532 0.000 1.302 360 H CB 0.017 29.294 29.762 -0.809 0.000 1.373 360 H HN 0.099 nan 8.280 nan 0.000 0.497 361 E N 0.476 120.589 120.200 -0.145 0.000 2.110 361 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 361 E C 2.214 178.763 176.600 -0.086 0.000 0.988 361 E CA 1.411 57.759 56.400 -0.087 0.000 0.804 361 E CB -0.612 29.126 29.700 0.062 0.000 0.745 361 E HN 0.585 nan 8.360 nan 0.000 0.458 362 A N 0.124 122.908 122.820 -0.061 0.000 1.872 362 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 362 A C 2.295 179.848 177.584 -0.052 0.000 1.187 362 A CA 1.360 53.377 52.037 -0.033 0.000 0.614 362 A CB -0.665 18.332 19.000 -0.004 0.000 0.826 362 A HN 0.309 nan 8.150 nan 0.000 0.442 363 I N -0.455 120.069 120.570 -0.076 0.000 2.264 363 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 363 I C 0.922 176.982 176.117 -0.094 0.000 1.111 363 I CA 1.232 62.499 61.300 -0.055 0.000 1.382 363 I CB -0.521 37.493 38.000 0.023 0.000 1.060 363 I HN 0.529 nan 8.210 nan 0.000 0.418 364 N N -0.031 118.551 118.700 -0.197 0.000 2.696 364 N HA -0.127 4.613 4.740 -0.000 0.000 0.256 364 N C -2.307 173.153 175.510 -0.082 0.000 1.031 364 N CA 0.131 53.106 53.050 -0.126 0.000 0.730 364 N CB -0.715 37.767 38.487 -0.007 0.000 0.894 364 N HN 0.224 nan 8.380 nan 0.000 0.544 365 P HA 0.157 nan 4.420 nan 0.000 0.275 365 P C 0.260 177.591 177.300 0.052 0.000 1.228 365 P CA -0.175 62.917 63.100 -0.014 0.000 0.786 365 P CB 0.762 32.489 31.700 0.045 0.000 0.927 366 D N 0.473 120.914 120.400 0.069 0.000 2.117 366 D HA -0.078 4.561 4.640 -0.000 0.000 0.197 366 D C 0.572 176.943 176.300 0.118 0.000 0.987 366 D CA 1.649 55.699 54.000 0.083 0.000 0.829 366 D CB 0.069 40.907 40.800 0.062 0.000 0.961 366 D HN 0.194 nan 8.370 nan 0.000 0.460 367 L N -0.299 121.005 121.223 0.136 0.000 2.431 367 L HA 0.344 4.684 4.340 -0.000 0.000 0.266 367 L C -1.231 175.778 176.870 0.232 0.000 0.978 367 L CA -0.233 54.713 54.840 0.177 0.000 0.822 367 L CB 2.575 44.737 42.059 0.172 0.000 1.310 367 L HN -0.316 nan 8.230 nan 0.000 0.409 368 T N 3.842 118.555 114.554 0.265 0.000 2.847 368 T HA 0.537 4.887 4.350 -0.000 0.000 0.291 368 T C -0.758 174.130 174.700 0.313 0.000 0.998 368 T CA -0.427 61.877 62.100 0.340 0.000 0.967 368 T CB 1.391 70.467 68.868 0.346 0.000 0.954 368 T HN 0.317 nan 8.240 nan 0.000 0.441 369 V N 3.943 124.067 119.914 0.351 0.000 2.461 369 V HA 0.632 4.752 4.120 -0.000 0.000 0.275 369 V C 0.614 176.921 176.094 0.354 0.000 1.047 369 V CA -0.582 61.898 62.300 0.300 0.000 0.955 369 V CB 0.075 32.064 31.823 0.277 0.000 0.988 369 V HN 1.222 nan 8.190 nan 0.000 0.471 370 C N 2.467 121.903 119.300 0.228 0.000 3.306 370 C HA 0.894 5.354 4.460 -0.000 0.000 0.335 370 C C 0.424 175.468 174.990 0.091 0.000 1.382 370 C CA -0.422 58.664 59.018 0.114 0.000 1.254 370 C CB 1.108 28.753 27.740 -0.159 0.000 1.555 370 C HN 1.054 nan 8.230 nan 0.000 0.463 371 G N 0.287 109.097 108.800 0.017 0.000 2.562 371 G HA2 0.478 4.438 3.960 -0.000 0.000 0.275 371 G HA3 0.478 4.438 3.960 -0.000 0.000 0.275 371 G C 0.454 175.377 174.900 0.039 0.000 1.196 371 G CA -0.567 44.580 45.100 0.079 0.000 0.908 371 G HN 0.839 nan 8.290 nan 0.000 0.524 372 L N 1.443 122.722 121.223 0.093 0.000 2.261 372 L HA -0.039 4.301 4.340 -0.000 0.000 0.216 372 L C 2.911 179.737 176.870 -0.073 0.000 1.114 372 L CA 1.668 56.504 54.840 -0.007 0.000 0.777 372 L CB -1.453 40.591 42.059 -0.024 0.000 0.910 372 L HN 0.700 nan 8.230 nan 0.000 0.440 373 G N -1.401 107.333 108.800 -0.111 0.000 2.422 373 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 373 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 373 G C 1.504 176.311 174.900 -0.155 0.000 1.140 373 G CA 0.302 45.315 45.100 -0.145 0.000 0.775 373 G HN 0.292 nan 8.290 nan 0.000 0.545 374 L N 0.181 121.290 121.223 -0.190 0.000 2.537 374 L HA 0.476 4.816 4.340 -0.000 0.000 0.224 374 L C 2.916 179.688 176.870 -0.164 0.000 1.065 374 L CA 0.617 55.312 54.840 -0.241 0.000 0.860 374 L CB -0.626 41.159 42.059 -0.457 0.000 1.086 374 L HN 0.213 nan 8.230 nan 0.000 0.482 375 A N 0.616 123.373 122.820 -0.103 0.000 1.848 375 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 375 A C 2.122 179.689 177.584 -0.028 0.000 1.220 375 A CA 2.674 54.689 52.037 -0.037 0.000 0.645 375 A CB -1.070 17.929 19.000 -0.001 0.000 0.842 375 A HN 0.539 nan 8.150 nan 0.000 0.451 376 N N -0.147 118.527 118.700 -0.044 0.000 2.043 376 N HA -0.106 4.634 4.740 -0.000 0.000 0.193 376 N C -0.977 174.518 175.510 -0.024 0.000 1.037 376 N CA 1.657 54.687 53.050 -0.033 0.000 0.851 376 N CB -0.774 37.685 38.487 -0.047 0.000 1.027 376 N HN 0.345 nan 8.380 nan 0.000 0.422 377 P HA -0.180 nan 4.420 nan 0.000 0.217 377 P C 1.135 178.437 177.300 0.003 0.000 1.158 377 P CA 1.016 64.098 63.100 -0.030 0.000 0.887 377 P CB 0.065 31.729 31.700 -0.059 0.000 0.792 378 L N -0.394 120.834 121.223 0.007 0.000 2.056 378 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 378 L C 2.251 179.199 176.870 0.130 0.000 1.078 378 L CA 1.791 56.695 54.840 0.107 0.000 0.749 378 L CB -1.663 40.429 42.059 0.055 0.000 0.901 378 L HN 0.026 nan 8.230 nan 0.000 0.433 379 E N -0.539 119.701 120.200 0.067 0.000 2.153 379 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 379 E C 2.169 178.776 176.600 0.011 0.000 0.988 379 E CA 1.199 57.627 56.400 0.047 0.000 0.811 379 E CB -0.095 29.624 29.700 0.032 0.000 0.746 379 E HN 0.455 nan 8.360 nan 0.000 0.466 380 A N 1.460 124.283 122.820 0.004 0.000 2.015 380 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 380 A C 1.727 179.294 177.584 -0.029 0.000 1.163 380 A CA 0.952 52.982 52.037 -0.012 0.000 0.646 380 A CB -0.006 18.988 19.000 -0.010 0.000 0.806 380 A HN -0.051 nan 8.150 nan 0.000 0.448 381 K N -0.867 119.515 120.400 -0.030 0.000 2.417 381 K HA 0.220 4.540 4.320 -0.000 0.000 0.196 381 K C 1.005 177.442 176.600 -0.272 0.000 1.023 381 K CA 0.619 56.849 56.287 -0.096 0.000 1.122 381 K CB -0.296 32.196 32.500 -0.013 0.000 0.850 381 K HN 0.769 nan 8.250 nan 0.000 0.521 382 G N 1.395 110.081 108.800 -0.190 0.000 2.141 382 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 382 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 382 G C -0.504 174.274 174.900 -0.202 0.000 0.982 382 G CA -0.099 44.883 45.100 -0.197 0.000 0.662 382 G HN 0.547 nan 8.290 nan 0.000 0.527 383 H N 0.670 119.773 119.070 0.054 0.000 2.517 383 H HA 0.630 5.186 4.556 -0.000 0.000 0.317 383 H C 0.721 176.100 175.328 0.084 0.000 1.080 383 H CA 0.017 56.114 56.048 0.082 0.000 1.301 383 H CB 1.538 31.398 29.762 0.163 0.000 1.425 383 H HN 0.534 nan 8.280 nan 0.000 0.471 384 A N 3.249 126.191 122.820 0.202 0.000 2.450 384 A HA 0.373 4.693 4.320 -0.000 0.000 0.255 384 A C 0.435 178.126 177.584 0.178 0.000 1.096 384 A CA -0.168 51.961 52.037 0.154 0.000 0.778 384 A CB -0.146 18.930 19.000 0.127 0.000 1.031 384 A HN 0.787 nan 8.150 nan 0.000 0.494 385 T N 0.276 114.922 114.554 0.154 0.000 2.907 385 T HA 0.684 5.034 4.350 -0.000 0.000 0.292 385 T C -0.745 174.051 174.700 0.159 0.000 1.043 385 T CA -0.922 61.275 62.100 0.162 0.000 1.003 385 T CB 1.740 70.687 68.868 0.132 0.000 1.084 385 T HN 0.532 nan 8.240 nan 0.000 0.483 386 K N 2.757 123.255 120.400 0.163 0.000 2.463 386 K HA 0.244 4.564 4.320 -0.000 0.000 0.255 386 K C -0.603 176.070 176.600 0.122 0.000 0.942 386 K CA -0.801 55.547 56.287 0.101 0.000 0.814 386 K CB 1.129 33.628 32.500 -0.002 0.000 1.122 386 K HN 0.874 nan 8.250 nan 0.000 0.425 387 W N 4.040 125.313 121.300 -0.044 0.000 2.253 387 W HA 0.298 4.958 4.660 -0.000 0.000 0.322 387 W C 0.298 176.789 176.519 -0.047 0.000 1.342 387 W CA -0.431 56.898 57.345 -0.027 0.000 1.218 387 W CB -0.171 29.280 29.460 -0.015 0.000 1.205 387 W HN 0.606 nan 8.180 nan 0.000 0.551 388 A N 4.119 126.983 122.820 0.073 0.000 1.877 388 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 388 A C 1.894 179.367 177.584 -0.185 0.000 1.186 388 A CA 1.846 53.861 52.037 -0.037 0.000 0.620 388 A CB -0.519 18.552 19.000 0.118 0.000 0.822 388 A HN 0.637 nan 8.150 nan 0.000 0.443 389 I N 0.091 120.630 120.570 -0.051 0.000 2.264 389 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 389 I C 2.240 178.045 176.117 -0.521 0.000 1.111 389 I CA 1.768 63.067 61.300 -0.003 0.000 1.382 389 I CB -0.526 37.670 38.000 0.326 0.000 1.060 389 I HN 0.482 nan 8.210 nan 0.000 0.418 390 E N 0.720 120.121 120.200 -1.333 0.000 2.219 390 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 390 E C 2.134 177.998 176.600 -1.227 0.000 0.998 390 E CA 1.046 56.378 56.400 -1.779 0.000 0.818 390 E CB -0.122 28.505 29.700 -1.789 0.000 0.741 390 E HN 0.503 nan 8.360 nan 0.000 0.477 391 L N -0.433 120.320 121.223 -0.783 0.000 2.395 391 L HA -0.091 4.249 4.340 -0.000 0.000 0.218 391 L C 1.990 178.606 176.870 -0.423 0.000 1.130 391 L CA 0.157 54.680 54.840 -0.529 0.000 0.826 391 L CB 0.237 42.069 42.059 -0.378 0.000 0.941 391 L HN 0.067 nan 8.230 nan 0.000 0.451 392 V N -0.962 118.686 119.914 -0.443 0.000 2.878 392 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 392 V C 1.649 177.485 176.094 -0.430 0.000 1.075 392 V CA 1.279 63.301 62.300 -0.464 0.000 1.096 392 V CB -0.321 31.155 31.823 -0.578 0.000 0.724 392 V HN 0.541 nan 8.190 nan 0.000 0.467 393 F N -0.844 118.926 119.950 -0.301 0.000 2.728 393 F HA 0.468 4.995 4.527 -0.000 0.000 0.314 393 F C 0.558 176.278 175.800 -0.134 0.000 1.094 393 F CA -0.572 57.299 58.000 -0.214 0.000 1.217 393 F CB -0.997 37.941 39.000 -0.103 0.000 1.056 393 F HN -0.162 nan 8.300 nan 0.000 0.577 394 T N 3.864 118.227 114.554 -0.318 0.000 2.889 394 T HA 0.339 4.689 4.350 -0.000 0.000 0.291 394 T C -2.599 172.051 174.700 -0.084 0.000 0.995 394 T CA -1.142 60.858 62.100 -0.165 0.000 1.092 394 T CB 1.069 69.746 68.868 -0.318 0.000 0.954 394 T HN -0.156 nan 8.240 nan 0.000 0.506 395 P HA 0.108 nan 4.420 nan 0.000 0.261 395 P C 0.539 177.841 177.300 0.004 0.000 1.203 395 P CA -0.021 63.092 63.100 0.021 0.000 0.767 395 P CB 0.324 32.038 31.700 0.024 0.000 0.785 396 V N 0.318 120.267 119.914 0.058 0.000 3.368 396 V HA 0.208 4.328 4.120 -0.000 0.000 0.255 396 V C 0.446 176.536 176.094 -0.006 0.000 1.466 396 V CA 0.189 62.476 62.300 -0.021 0.000 1.095 396 V CB -1.014 30.734 31.823 -0.126 0.000 0.899 396 V HN 0.303 nan 8.190 nan 0.000 0.440 397 H N 0.525 119.588 119.070 -0.011 0.000 2.607 397 H HA 0.646 5.202 4.556 -0.000 0.000 0.367 397 H C -0.335 174.935 175.328 -0.097 0.000 1.181 397 H CA 0.157 56.061 56.048 -0.239 0.000 1.402 397 H CB 0.042 29.607 29.762 -0.328 0.000 1.474 397 H HN 0.249 nan 8.280 nan 0.000 0.596 398 F N -2.083 117.685 119.950 -0.304 0.000 2.183 398 F HA -0.366 4.161 4.527 -0.000 0.000 0.318 398 F C 0.608 176.275 175.800 -0.223 0.000 0.517 398 F CA 0.187 57.970 58.000 -0.362 0.000 0.912 398 F CB -1.017 37.804 39.000 -0.298 0.000 4.135 398 F HN 0.536 nan 8.300 nan 0.000 0.137 399 Y N -0.518 119.882 120.300 0.167 0.000 2.097 399 Y HA -0.175 4.375 4.550 -0.000 0.000 0.282 399 Y C 2.239 178.180 175.900 0.068 0.000 1.152 399 Y CA 1.887 60.039 58.100 0.086 0.000 1.136 399 Y CB -0.703 37.803 38.460 0.078 0.000 0.975 399 Y HN 0.583 nan 8.280 nan 0.000 0.498 400 E N 0.176 120.515 120.200 0.232 0.000 2.265 400 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 400 E C 1.203 177.863 176.600 0.099 0.000 0.996 400 E CA 1.007 57.489 56.400 0.137 0.000 0.832 400 E CB -0.103 29.654 29.700 0.094 0.000 0.756 400 E HN 0.397 nan 8.360 nan 0.000 0.491 401 Q N -1.508 118.345 119.800 0.088 0.000 2.198 401 Q HA 0.399 4.739 4.340 -0.000 0.000 0.209 401 Q C 1.216 177.230 176.000 0.023 0.000 0.848 401 Q CA 0.506 56.338 55.803 0.049 0.000 0.974 401 Q CB 0.769 29.529 28.738 0.037 0.000 1.115 401 Q HN 0.270 nan 8.270 nan 0.000 0.494 402 A N 0.048 122.902 122.820 0.057 0.000 1.898 402 A HA -0.018 4.301 4.320 -0.000 0.000 0.216 402 A C 2.082 179.738 177.584 0.119 0.000 1.181 402 A CA 1.620 53.685 52.037 0.047 0.000 0.620 402 A CB -0.858 18.224 19.000 0.137 0.000 0.819 402 A HN 0.447 nan 8.150 nan 0.000 0.442 403 G N 0.170 109.061 108.800 0.151 0.000 2.402 403 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 403 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 403 G C 0.993 175.957 174.900 0.107 0.000 1.162 403 G CA 1.261 46.484 45.100 0.206 0.000 0.777 403 G HN 0.530 nan 8.290 nan 0.000 0.539 404 D N 0.339 120.777 120.400 0.064 0.000 2.144 404 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 404 D C 2.218 178.478 176.300 -0.066 0.000 0.984 404 D CA 0.421 54.422 54.000 0.001 0.000 0.834 404 D CB -0.338 40.463 40.800 0.002 0.000 0.955 404 D HN 0.244 nan 8.370 nan 0.000 0.465 405 L N 0.964 122.151 121.223 -0.060 0.000 2.012 405 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 405 L C 2.071 178.993 176.870 0.086 0.000 1.073 405 L CA 1.885 56.675 54.840 -0.083 0.000 0.748 405 L CB -1.003 40.904 42.059 -0.253 0.000 0.891 405 L HN 0.045 nan 8.230 nan 0.000 0.431 406 A N -0.668 122.232 122.820 0.133 0.000 1.930 406 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 406 A C 2.351 179.801 177.584 -0.224 0.000 1.175 406 A CA 1.383 53.504 52.037 0.140 0.000 0.627 406 A CB -1.556 17.500 19.000 0.093 0.000 0.815 406 A HN 0.546 nan 8.150 nan 0.000 0.443 407 G N -0.143 108.345 108.800 -0.519 0.000 2.442 407 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 407 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 407 G C 1.316 176.111 174.900 -0.175 0.000 1.141 407 G CA 1.184 46.032 45.100 -0.420 0.000 0.763 407 G HN 0.360 nan 8.290 nan 0.000 0.554 408 L N -0.495 120.595 121.223 -0.222 0.000 2.187 408 L HA 0.059 4.398 4.340 -0.000 0.000 0.213 408 L C 2.274 178.849 176.870 -0.492 0.000 1.100 408 L CA 1.246 55.847 54.840 -0.400 0.000 0.765 408 L CB -0.636 41.048 42.059 -0.625 0.000 0.904 408 L HN 0.284 nan 8.230 nan 0.000 0.437 409 F N -2.197 117.702 119.950 -0.085 0.000 2.559 409 F HA 0.022 4.549 4.527 -0.000 0.000 0.286 409 F C 2.542 178.338 175.800 -0.007 0.000 1.108 409 F CA 0.678 58.656 58.000 -0.037 0.000 1.436 409 F CB -0.691 38.295 39.000 -0.023 0.000 1.130 409 F HN 0.068 nan 8.300 nan 0.000 0.584 410 S N 0.560 116.347 115.700 0.145 0.000 2.387 410 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 410 S C 2.144 176.813 174.600 0.116 0.000 1.026 410 S CA 0.724 59.011 58.200 0.145 0.000 0.972 410 S CB -0.578 62.757 63.200 0.225 0.000 0.814 410 S HN 0.319 nan 8.310 nan 0.000 0.477 411 R N 2.274 122.822 120.500 0.079 0.000 2.112 411 R HA -0.091 4.249 4.340 -0.000 0.000 0.242 411 R C -0.897 175.443 176.300 0.066 0.000 1.137 411 R CA 2.289 58.428 56.100 0.066 0.000 0.944 411 R CB -1.415 28.906 30.300 0.035 0.000 0.857 411 R HN 0.394 nan 8.270 nan 0.000 0.435 412 P HA -0.114 nan 4.420 nan 0.000 0.218 412 P C 0.960 178.310 177.300 0.082 0.000 1.149 412 P CA 1.225 64.371 63.100 0.077 0.000 0.817 412 P CB 0.002 31.755 31.700 0.087 0.000 0.785 413 L N -1.317 119.960 121.223 0.090 0.000 2.313 413 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 413 L C 2.556 179.469 176.870 0.071 0.000 1.119 413 L CA 1.001 55.891 54.840 0.084 0.000 0.809 413 L CB -0.389 41.726 42.059 0.092 0.000 0.933 413 L HN -0.091 nan 8.230 nan 0.000 0.449 414 R N -0.297 120.247 120.500 0.074 0.000 2.100 414 R HA -0.061 4.279 4.340 -0.000 0.000 0.220 414 R C 2.266 178.598 176.300 0.053 0.000 1.091 414 R CA 0.600 56.739 56.100 0.064 0.000 0.986 414 R CB -0.217 30.127 30.300 0.074 0.000 0.888 414 R HN 0.263 nan 8.270 nan 0.000 0.444 415 R N 1.593 122.126 120.500 0.055 0.000 2.070 415 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 415 R C 2.385 178.710 176.300 0.042 0.000 1.137 415 R CA 1.651 57.779 56.100 0.047 0.000 0.945 415 R CB -0.227 30.103 30.300 0.050 0.000 0.845 415 R HN 0.035 nan 8.270 nan 0.000 0.430 416 R N 0.061 120.589 120.500 0.047 0.000 2.113 416 R HA -0.209 4.131 4.340 -0.000 0.000 0.244 416 R C 2.096 178.416 176.300 0.033 0.000 1.142 416 R CA 2.042 58.167 56.100 0.041 0.000 0.953 416 R CB -0.471 29.858 30.300 0.049 0.000 0.860 416 R HN 0.395 nan 8.270 nan 0.000 0.438 417 A N 0.671 123.513 122.820 0.036 0.000 1.898 417 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 417 A C 2.039 179.638 177.584 0.025 0.000 1.181 417 A CA 0.962 53.017 52.037 0.030 0.000 0.620 417 A CB -0.468 18.551 19.000 0.033 0.000 0.819 417 A HN 0.308 nan 8.150 nan 0.000 0.442 418 L N -0.243 120.997 121.223 0.028 0.000 2.012 418 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 418 L C 2.363 179.245 176.870 0.020 0.000 1.073 418 L CA 1.603 56.458 54.840 0.024 0.000 0.748 418 L CB -0.673 41.402 42.059 0.027 0.000 0.891 418 L HN 0.394 nan 8.230 nan 0.000 0.431 419 L N -0.666 120.569 121.223 0.021 0.000 2.395 419 L HA -0.064 4.276 4.340 -0.000 0.000 0.218 419 L C 0.021 176.899 176.870 0.013 0.000 1.130 419 L CA 0.538 55.388 54.840 0.017 0.000 0.826 419 L CB -0.501 41.568 42.059 0.017 0.000 0.941 419 L HN 0.544 nan 8.230 nan 0.000 0.451 420 N N -0.637 118.072 118.700 0.014 0.000 2.733 420 N HA 0.430 5.170 4.740 -0.000 0.000 0.271 420 N C 0.141 175.657 175.510 0.010 0.000 1.720 420 N CA 0.074 53.130 53.050 0.010 0.000 0.803 420 N CB 0.771 39.262 38.487 0.007 0.000 1.208 420 N HN 0.082 nan 8.380 nan 0.000 0.498 421 G N 0.000 108.806 108.800 0.010 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.105 45.100 0.009 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925