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_C 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 ALLN 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 0.000 174.412 174.700 -0.480 0.000 1.109 7 T CA 0.000 61.958 62.100 -0.238 0.000 1.349 7 T CB 0.000 68.759 68.868 -0.182 0.000 0.612 8 F N 1.454 121.393 119.950 -0.017 0.000 2.811 8 F HA 0.617 5.144 4.527 -0.000 0.000 0.342 8 F C 0.716 176.507 175.800 -0.015 0.000 1.203 8 F CA -0.418 57.572 58.000 -0.017 0.000 1.173 8 F CB 1.437 40.428 39.000 -0.015 0.000 1.094 8 F HN 0.222 nan 8.300 nan 0.000 0.510 9 G N -0.813 108.044 108.800 0.096 0.000 2.487 9 G HA2 0.439 4.399 3.960 -0.000 0.000 0.314 9 G HA3 0.439 4.399 3.960 -0.000 0.000 0.314 9 G C -0.262 174.653 174.900 0.026 0.000 1.267 9 G CA -0.218 44.920 45.100 0.063 0.000 0.937 9 G HN 0.285 nan 8.290 nan 0.000 0.481 10 C N 2.095 121.412 119.300 0.028 0.000 3.125 10 C HA 0.193 4.653 4.460 -0.000 0.000 0.284 10 C C 2.465 177.457 174.990 0.004 0.000 1.386 10 C CA 0.084 59.106 59.018 0.007 0.000 1.763 10 C CB -0.752 26.991 27.740 0.005 0.000 2.377 10 C HN 0.806 nan 8.230 nan 0.000 0.620 11 T N 0.838 115.398 114.554 0.010 0.000 2.737 11 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 11 T C 0.961 175.659 174.700 -0.003 0.000 1.040 11 T CA 1.791 63.895 62.100 0.006 0.000 1.142 11 T CB -0.142 68.731 68.868 0.007 0.000 0.861 11 T HN 0.553 nan 8.240 nan 0.000 0.456 12 D N 0.368 120.765 120.400 -0.006 0.000 2.433 12 D HA 0.202 4.842 4.640 -0.000 0.000 0.211 12 D C 0.153 176.443 176.300 -0.016 0.000 1.114 12 D CA 0.004 53.997 54.000 -0.011 0.000 0.837 12 D CB 0.270 41.064 40.800 -0.009 0.000 0.984 12 D HN 0.164 nan 8.370 nan 0.000 0.505 13 S N 3.027 118.716 115.700 -0.018 0.000 2.525 13 S HA 0.122 4.592 4.470 -0.000 0.000 0.285 13 S C -2.165 172.418 174.600 -0.028 0.000 1.283 13 S CA -0.660 57.525 58.200 -0.025 0.000 1.072 13 S CB 0.706 63.889 63.200 -0.030 0.000 0.867 13 S HN 0.110 nan 8.310 nan 0.000 0.492 14 P HA 0.150 nan 4.420 nan 0.000 0.281 14 P C -0.470 176.811 177.300 -0.032 0.000 1.286 14 P CA -0.372 62.712 63.100 -0.027 0.000 0.772 14 P CB 0.637 32.324 31.700 -0.022 0.000 0.862 15 V N 4.618 124.511 119.914 -0.036 0.000 2.432 15 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 15 V C 0.475 176.549 176.094 -0.034 0.000 1.043 15 V CA -0.924 61.351 62.300 -0.042 0.000 0.925 15 V CB 0.651 32.443 31.823 -0.052 0.000 0.985 15 V HN 0.547 nan 8.190 nan 0.000 0.466 16 R N 6.750 127.230 120.500 -0.034 0.000 2.404 16 R HA 0.256 4.596 4.340 -0.000 0.000 0.315 16 R C -0.286 176.005 176.300 -0.016 0.000 1.032 16 R CA -0.189 55.898 56.100 -0.022 0.000 0.992 16 R CB 0.224 30.511 30.300 -0.023 0.000 0.959 16 R HN 0.817 nan 8.270 nan 0.000 0.428 17 R N 4.194 124.690 120.500 -0.005 0.000 2.255 17 R HA 0.231 4.571 4.340 -0.000 0.000 0.326 17 R C -0.631 175.680 176.300 0.018 0.000 0.986 17 R CA -0.453 55.651 56.100 0.006 0.000 0.847 17 R CB 1.627 31.932 30.300 0.008 0.000 1.111 17 R HN 0.640 nan 8.270 nan 0.000 0.452 18 E N 2.636 122.853 120.200 0.028 0.000 2.293 18 E HA 0.304 4.654 4.350 -0.000 0.000 0.270 18 E C -0.812 175.815 176.600 0.045 0.000 0.879 18 E CA -0.872 55.549 56.400 0.034 0.000 0.756 18 E CB 2.679 32.400 29.700 0.036 0.000 1.208 18 E HN 0.507 nan 8.360 nan 0.000 0.428 19 R N 0.945 121.470 120.500 0.042 0.000 2.892 19 R HA 0.908 5.248 4.340 -0.000 0.000 0.265 19 R C 0.064 176.388 176.300 0.040 0.000 1.025 19 R CA -0.489 55.639 56.100 0.045 0.000 0.982 19 R CB 1.982 32.308 30.300 0.043 0.000 1.185 19 R HN 0.629 nan 8.270 nan 0.000 0.484 20 G N 0.296 109.120 108.800 0.039 0.000 2.403 20 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.223 20 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.223 20 G C -1.452 173.466 174.900 0.030 0.000 1.287 20 G CA -0.945 44.175 45.100 0.033 0.000 0.982 20 G HN 0.550 nan 8.290 nan 0.000 0.471 21 Q N 0.855 120.671 119.800 0.026 0.000 2.274 21 Q HA 0.313 4.653 4.340 -0.000 0.000 0.280 21 Q C -0.331 175.684 176.000 0.025 0.000 1.047 21 Q CA 0.819 56.633 55.803 0.018 0.000 0.907 21 Q CB 0.533 29.278 28.738 0.013 0.000 1.171 21 Q HN 0.337 nan 8.270 nan 0.000 0.381 22 K N 0.833 121.239 120.400 0.010 0.000 2.318 22 K HA 0.602 4.922 4.320 -0.000 0.000 0.249 22 K C -1.220 175.358 176.600 -0.035 0.000 0.942 22 K CA -0.545 55.749 56.287 0.011 0.000 0.808 22 K CB 1.950 34.463 32.500 0.022 0.000 1.189 22 K HN 0.559 nan 8.250 nan 0.000 0.428 23 A N 2.380 125.170 122.820 -0.050 0.000 2.802 23 A HA 0.503 4.823 4.320 -0.000 0.000 0.344 23 A C -0.742 176.743 177.584 -0.164 0.000 1.215 23 A CA -0.514 51.441 52.037 -0.137 0.000 0.821 23 A CB -0.110 18.794 19.000 -0.160 0.000 1.099 23 A HN 0.438 nan 8.150 nan 0.000 0.479 24 V N -2.164 117.632 119.914 -0.197 0.000 3.159 24 V HA 0.845 4.965 4.120 -0.000 0.000 0.308 24 V C -0.930 174.987 176.094 -0.295 0.000 1.190 24 V CA -1.302 60.897 62.300 -0.170 0.000 1.037 24 V CB 1.394 33.228 31.823 0.018 0.000 1.060 24 V HN 0.363 nan 8.190 nan 0.000 0.437 25 F N 1.565 121.452 119.950 -0.104 0.000 2.377 25 F HA 0.706 5.233 4.527 -0.000 0.000 0.328 25 F C 1.175 176.969 175.800 -0.010 0.000 1.094 25 F CA 0.000 57.920 58.000 -0.134 0.000 1.093 25 F CB 1.056 39.825 39.000 -0.386 0.000 1.214 25 F HN 1.049 nan 8.300 nan 0.000 0.518 26 C N 0.487 119.909 119.300 0.203 0.000 2.480 26 C HA 0.577 5.037 4.460 -0.000 0.000 0.358 26 C C 1.792 176.878 174.990 0.160 0.000 1.309 26 C CA -0.166 58.938 59.018 0.142 0.000 2.465 26 C CB 0.326 28.114 27.740 0.081 0.000 2.379 26 C HN 1.033 nan 8.230 nan 0.000 0.642 27 G N 0.037 108.901 108.800 0.107 0.000 2.509 27 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.218 27 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.218 27 G C 1.118 176.015 174.900 -0.005 0.000 1.124 27 G CA 0.489 45.633 45.100 0.073 0.000 0.776 27 G HN 0.695 nan 8.290 nan 0.000 0.547 28 L N 1.451 122.661 121.223 -0.022 0.000 2.081 28 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 28 L C 3.102 179.846 176.870 -0.209 0.000 1.080 28 L CA 2.070 56.843 54.840 -0.113 0.000 0.754 28 L CB -1.178 40.828 42.059 -0.088 0.000 0.893 28 L HN 0.198 nan 8.230 nan 0.000 0.433 29 T N -1.170 113.316 114.554 -0.113 0.000 2.778 29 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 29 T C 2.010 176.560 174.700 -0.250 0.000 1.050 29 T CA 1.484 63.504 62.100 -0.133 0.000 1.137 29 T CB -0.531 68.308 68.868 -0.048 0.000 0.860 29 T HN 0.607 nan 8.240 nan 0.000 0.468 30 S N 1.432 116.866 115.700 -0.443 0.000 2.442 30 S HA -0.041 4.429 4.470 -0.000 0.000 0.236 30 S C 1.990 175.751 174.600 -1.398 0.000 1.007 30 S CA 0.610 57.992 58.200 -1.364 0.000 0.965 30 S CB -0.857 61.711 63.200 -1.055 0.000 0.773 30 S HN 0.526 nan 8.310 nan 0.000 0.504 31 I N 1.419 121.446 120.570 -0.905 0.000 2.264 31 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 31 I C 2.387 178.037 176.117 -0.779 0.000 1.111 31 I CA 0.965 61.664 61.300 -1.002 0.000 1.382 31 I CB -0.488 36.980 38.000 -0.888 0.000 1.060 31 I HN 0.212 nan 8.210 nan 0.000 0.418 32 V N 0.606 120.159 119.914 -0.603 0.000 2.332 32 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 32 V C 2.107 178.223 176.094 0.036 0.000 1.055 32 V CA 2.527 64.686 62.300 -0.235 0.000 1.038 32 V CB -0.814 30.918 31.823 -0.152 0.000 0.651 32 V HN 0.795 nan 8.190 nan 0.000 0.450 33 W N -0.741 120.498 121.300 -0.102 0.000 2.588 33 W HA 0.189 4.849 4.660 -0.000 0.000 0.277 33 W C 1.792 178.203 176.519 -0.180 0.000 1.221 33 W CA 0.297 57.575 57.345 -0.112 0.000 1.355 33 W CB -1.086 28.343 29.460 -0.051 0.000 1.083 33 W HN 0.108 nan 8.180 nan 0.000 0.581 34 L N 2.113 122.917 121.223 -0.699 0.000 2.012 34 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 34 L C 2.999 179.702 176.870 -0.278 0.000 1.073 34 L CA 2.765 57.279 54.840 -0.543 0.000 0.748 34 L CB -1.497 40.021 42.059 -0.902 0.000 0.891 34 L HN 0.487 nan 8.230 nan 0.000 0.431 35 H N -2.062 116.776 119.070 -0.387 0.000 2.456 35 H HA -0.075 4.481 4.556 -0.000 0.000 0.296 35 H C 2.197 177.569 175.328 0.072 0.000 1.079 35 H CA 1.328 57.360 56.048 -0.027 0.000 1.322 35 H CB -0.379 29.398 29.762 0.026 0.000 1.388 35 H HN 0.248 nan 8.280 nan 0.000 0.538 36 R N 0.263 120.319 120.500 -0.739 0.000 2.127 36 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 36 R C 0.981 177.209 176.300 -0.120 0.000 1.134 36 R CA 1.075 56.919 56.100 -0.428 0.000 0.975 36 R CB -0.068 30.039 30.300 -0.322 0.000 0.865 36 R HN 0.225 nan 8.270 nan 0.000 0.447 40 D N 1.270 121.742 120.400 0.121 0.000 2.371 40 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 40 D C 0.101 176.485 176.300 0.141 0.000 0.986 40 D CA 0.619 54.683 54.000 0.106 0.000 0.899 40 D CB 0.250 41.092 40.800 0.070 0.000 0.902 40 D HN 0.304 nan 8.370 nan 0.000 0.530 41 A N 0.052 122.994 122.820 0.204 0.000 2.295 41 A HA 0.533 4.853 4.320 -0.000 0.000 0.318 41 A C -0.874 176.887 177.584 0.294 0.000 1.134 41 A CA -0.434 51.741 52.037 0.231 0.000 0.827 41 A CB 0.775 19.944 19.000 0.281 0.000 1.136 41 A HN 0.068 nan 8.150 nan 0.000 0.493 42 F N 0.886 120.879 119.950 0.072 0.000 2.529 42 F HA 0.683 5.210 4.527 -0.000 0.000 0.320 42 F C -1.573 174.260 175.800 0.055 0.000 1.118 42 F CA -1.144 56.932 58.000 0.127 0.000 0.915 42 F CB 1.573 40.615 39.000 0.071 0.000 1.161 42 F HN 0.430 nan 8.300 nan 0.000 0.445 43 F N 7.231 127.084 119.950 -0.163 0.000 2.332 43 F HA 0.441 4.968 4.527 -0.000 0.000 0.368 43 F C -0.714 175.114 175.800 0.047 0.000 1.110 43 F CA -0.781 57.246 58.000 0.045 0.000 1.087 43 F CB 1.293 40.244 39.000 -0.081 0.000 1.235 43 F HN 0.250 nan 8.300 nan 0.000 0.470 44 L N 5.384 126.854 121.223 0.410 0.000 2.262 44 L HA 0.570 4.910 4.340 -0.000 0.000 0.288 44 L C -0.645 176.332 176.870 0.178 0.000 1.035 44 L CA -0.432 54.630 54.840 0.371 0.000 0.820 44 L CB 0.768 43.032 42.059 0.341 0.000 1.204 44 L HN 0.286 nan 8.230 nan 0.000 0.424 45 V N 5.824 125.813 119.914 0.125 0.000 2.686 45 V HA 0.235 4.355 4.120 -0.000 0.000 0.295 45 V C 0.026 176.143 176.094 0.037 0.000 1.055 45 V CA -0.507 61.817 62.300 0.039 0.000 1.050 45 V CB 1.453 33.283 31.823 0.012 0.000 0.984 45 V HN 0.496 nan 8.190 nan 0.000 0.482 46 V N 4.822 124.737 119.914 0.002 0.000 2.311 46 V HA 0.848 4.968 4.120 -0.000 0.000 0.275 46 V C 0.608 176.694 176.094 -0.012 0.000 1.022 46 V CA 0.484 62.780 62.300 -0.006 0.000 0.830 46 V CB 0.480 32.288 31.823 -0.025 0.000 1.012 46 V HN 1.114 nan 8.190 nan 0.000 0.452 47 G N 3.297 112.095 108.800 -0.002 0.000 2.650 47 G HA2 0.631 4.591 3.960 -0.000 0.000 0.310 47 G HA3 0.631 4.591 3.960 -0.000 0.000 0.310 47 G C -0.503 174.399 174.900 0.003 0.000 1.270 47 G CA 0.161 45.259 45.100 -0.002 0.000 0.810 47 G HN 0.742 nan 8.290 nan 0.000 0.493 48 S N -1.041 114.663 115.700 0.006 0.000 2.719 48 S HA 0.415 4.885 4.470 -0.000 0.000 0.285 48 S C 1.397 176.007 174.600 0.016 0.000 1.137 48 S CA -0.015 58.189 58.200 0.006 0.000 1.012 48 S CB 1.789 64.990 63.200 0.001 0.000 1.134 48 S HN 0.755 nan 8.310 nan 0.000 0.544 49 R N -0.202 120.304 120.500 0.010 0.000 2.120 49 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 49 R C 1.962 178.283 176.300 0.035 0.000 1.123 49 R CA 1.903 58.013 56.100 0.016 0.000 0.975 49 R CB -1.130 29.164 30.300 -0.010 0.000 0.866 49 R HN 0.837 nan 8.270 nan 0.000 0.446 50 T N -0.237 114.330 114.554 0.021 0.000 2.684 50 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 50 T C 1.980 176.730 174.700 0.083 0.000 1.036 50 T CA 1.540 63.669 62.100 0.049 0.000 1.148 50 T CB -0.429 68.453 68.868 0.023 0.000 0.863 50 T HN 0.410 nan 8.240 nan 0.000 0.436 51 C N 1.812 121.140 119.300 0.048 0.000 2.429 51 C HA 0.093 4.553 4.460 -0.000 0.000 0.277 51 C C 3.272 178.284 174.990 0.038 0.000 1.262 51 C CA 0.223 59.260 59.018 0.032 0.000 1.733 51 C CB -1.549 26.199 27.740 0.013 0.000 2.010 51 C HN 0.655 nan 8.230 nan 0.000 0.483 52 A N -0.640 122.216 122.820 0.060 0.000 1.930 52 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 52 A C 2.123 179.764 177.584 0.095 0.000 1.175 52 A CA 1.660 53.741 52.037 0.073 0.000 0.627 52 A CB -1.043 18.003 19.000 0.076 0.000 0.815 52 A HN 0.817 nan 8.150 nan 0.000 0.443 53 H N -0.623 118.449 119.070 0.004 0.000 2.357 53 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 53 H C 2.090 177.418 175.328 0.001 0.000 1.082 53 H CA 1.762 57.811 56.048 0.003 0.000 1.342 53 H CB -0.046 29.718 29.762 0.004 0.000 1.389 53 H HN 0.404 nan 8.280 nan 0.000 0.511 54 L N 1.050 122.296 121.223 0.039 0.000 2.012 54 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 54 L C 2.367 179.191 176.870 -0.077 0.000 1.073 54 L CA 1.391 56.222 54.840 -0.015 0.000 0.748 54 L CB -0.772 41.309 42.059 0.038 0.000 0.891 54 L HN 0.239 nan 8.230 nan 0.000 0.431 55 L N -0.731 120.443 121.223 -0.083 0.000 2.046 55 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 55 L C 2.750 179.564 176.870 -0.094 0.000 1.077 55 L CA 1.796 56.544 54.840 -0.154 0.000 0.747 55 L CB -0.581 41.379 42.059 -0.165 0.000 0.896 55 L HN 0.516 nan 8.230 nan 0.000 0.432 56 Q N -0.045 119.718 119.800 -0.062 0.000 2.030 56 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 56 Q C 2.278 178.196 176.000 -0.138 0.000 0.986 56 Q CA 2.142 57.890 55.803 -0.091 0.000 0.843 56 Q CB -0.134 28.546 28.738 -0.097 0.000 0.904 56 Q HN 0.499 nan 8.270 nan 0.000 0.420 57 A N 0.576 123.285 122.820 -0.184 0.000 1.902 57 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 57 A C 2.270 179.790 177.584 -0.107 0.000 1.181 57 A CA 1.812 53.754 52.037 -0.158 0.000 0.623 57 A CB -1.077 17.814 19.000 -0.182 0.000 0.818 57 A HN 0.581 nan 8.150 nan 0.000 0.443 58 A N -0.613 122.136 122.820 -0.119 0.000 2.015 58 A HA 0.269 4.589 4.320 -0.000 0.000 0.219 58 A C 2.339 179.865 177.584 -0.096 0.000 1.163 58 A CA 1.784 53.734 52.037 -0.145 0.000 0.646 58 A CB -0.656 18.212 19.000 -0.220 0.000 0.806 58 A HN 1.001 nan 8.150 nan 0.000 0.448 59 A N -1.401 121.372 122.820 -0.079 0.000 2.021 59 A HA 0.426 4.746 4.320 -0.000 0.000 0.216 59 A C 1.976 179.536 177.584 -0.040 0.000 1.163 59 A CA 1.439 53.463 52.037 -0.020 0.000 0.676 59 A CB -1.079 17.979 19.000 0.096 0.000 0.818 59 A HN 1.841 nan 8.150 nan 0.000 0.453 60 G N -0.709 108.050 108.800 -0.068 0.000 2.611 60 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.301 60 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.301 60 G C 0.745 175.608 174.900 -0.062 0.000 1.233 60 G CA 1.800 46.869 45.100 -0.051 0.000 0.993 60 G HN 1.709 nan 8.290 nan 0.000 0.553 64 F N 1.221 121.157 119.950 -0.023 0.000 2.732 64 F HA 0.541 5.068 4.527 -0.000 0.000 0.303 64 F C 1.724 177.511 175.800 -0.023 0.000 1.110 64 F CA 0.633 58.619 58.000 -0.022 0.000 1.355 64 F CB -0.169 38.825 39.000 -0.011 0.000 1.081 64 F HN 0.092 nan 8.300 nan 0.000 0.565 65 A N -0.109 122.760 122.820 0.081 0.000 2.610 65 A HA 0.272 4.592 4.320 -0.000 0.000 0.286 65 A C 0.676 178.266 177.584 0.010 0.000 1.306 65 A CA -0.238 51.834 52.037 0.058 0.000 0.942 65 A CB -0.800 18.237 19.000 0.062 0.000 1.112 65 A HN 0.387 nan 8.150 nan 0.000 0.527 66 E N 0.294 120.480 120.200 -0.023 0.000 2.228 66 E HA -0.154 4.195 4.350 -0.000 0.000 0.213 66 E C -2.065 174.476 176.600 -0.098 0.000 1.282 66 E CA 0.406 56.776 56.400 -0.050 0.000 0.707 66 E CB -1.284 28.419 29.700 0.005 0.000 1.150 66 E HN 0.678 nan 8.360 nan 0.000 0.362 67 P HA 0.129 nan 4.420 nan 0.000 0.276 67 P C -0.335 176.669 177.300 -0.493 0.000 1.261 67 P CA -0.254 62.647 63.100 -0.332 0.000 0.800 67 P CB 0.651 32.003 31.700 -0.580 0.000 1.066 68 R N 0.896 121.170 120.500 -0.377 0.000 4.518 68 R HA 0.355 4.695 4.340 -0.000 0.000 0.243 68 R C -0.297 175.486 176.300 -0.861 0.000 1.720 68 R CA -0.094 55.832 56.100 -0.289 0.000 1.526 68 R CB -0.837 29.555 30.300 0.153 0.000 1.425 68 R HN 0.506 nan 8.270 nan 0.000 0.787 69 F N -2.986 116.345 119.950 -1.032 0.000 2.745 69 F HA 0.865 5.392 4.527 -0.000 0.000 0.316 69 F C -0.197 175.306 175.800 -0.495 0.000 1.155 69 F CA -1.136 56.233 58.000 -1.053 0.000 0.937 69 F CB 1.210 39.846 39.000 -0.606 0.000 1.361 69 F HN 0.043 nan 8.300 nan 0.000 0.472 70 G N -0.443 108.457 108.800 0.167 0.000 2.349 70 G HA2 0.517 4.477 3.960 -0.000 0.000 0.294 70 G HA3 0.517 4.477 3.960 -0.000 0.000 0.294 70 G C -1.976 173.078 174.900 0.257 0.000 1.380 70 G CA -0.226 45.038 45.100 0.274 0.000 0.811 70 G HN 1.271 nan 8.290 nan 0.000 0.519 71 T N -1.640 113.025 114.554 0.186 0.000 3.109 71 T HA 0.669 5.019 4.350 -0.000 0.000 0.311 71 T C -0.110 174.645 174.700 0.092 0.000 1.011 71 T CA 0.649 62.824 62.100 0.124 0.000 1.026 71 T CB 1.025 69.944 68.868 0.085 0.000 1.047 71 T HN 2.000 nan 8.240 nan 0.000 0.448 72 A N 4.514 127.379 122.820 0.074 0.000 2.544 72 A HA 0.541 4.861 4.320 -0.000 0.000 0.301 72 A C 0.826 178.426 177.584 0.026 0.000 1.368 72 A CA -0.373 51.690 52.037 0.042 0.000 1.045 72 A CB -0.867 18.149 19.000 0.027 0.000 1.129 72 A HN 1.614 nan 8.150 nan 0.000 0.540 73 V N 3.890 123.819 119.914 0.026 0.000 2.488 73 V HA 0.410 4.530 4.120 -0.000 0.000 0.277 73 V C 0.048 176.145 176.094 0.006 0.000 1.046 73 V CA -0.992 61.318 62.300 0.017 0.000 0.986 73 V CB 0.299 32.135 31.823 0.022 0.000 0.989 73 V HN 0.534 nan 8.190 nan 0.000 0.475 74 L N 5.351 126.574 121.223 -0.000 0.000 2.525 74 L HA 0.330 4.670 4.340 -0.000 0.000 0.278 74 L C 0.704 177.571 176.870 -0.004 0.000 1.218 74 L CA 0.828 55.664 54.840 -0.006 0.000 0.878 74 L CB -0.558 41.495 42.059 -0.010 0.000 1.127 74 L HN 0.854 nan 8.230 nan 0.000 0.492 75 E N 1.412 121.609 120.200 -0.005 0.000 2.316 75 E HA 0.211 4.561 4.350 -0.000 0.000 0.258 75 E C 0.307 176.904 176.600 -0.004 0.000 0.952 75 E CA -0.773 55.624 56.400 -0.004 0.000 0.818 75 E CB 1.119 30.817 29.700 -0.002 0.000 1.260 75 E HN 0.430 nan 8.360 nan 0.000 0.416 76 E N 0.823 121.021 120.200 -0.003 0.000 2.065 76 E HA -0.293 4.057 4.350 -0.000 0.000 0.201 76 E C 1.786 178.385 176.600 -0.002 0.000 1.016 76 E CA 2.090 58.489 56.400 -0.003 0.000 0.818 76 E CB -0.075 29.624 29.700 -0.002 0.000 0.749 76 E HN 0.432 nan 8.360 nan 0.000 0.453 77 Q N 0.260 120.059 119.800 -0.001 0.000 2.217 77 Q HA -0.196 4.144 4.340 -0.000 0.000 0.209 77 Q C 1.267 177.266 176.000 -0.001 0.000 0.988 77 Q CA 1.640 57.443 55.803 -0.000 0.000 0.878 77 Q CB -0.148 28.590 28.738 0.000 0.000 0.909 77 Q HN 0.306 nan 8.270 nan 0.000 0.424 78 D N 0.349 120.746 120.400 -0.005 0.000 2.347 78 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 78 D C 1.589 177.883 176.300 -0.010 0.000 0.985 78 D CA 0.495 54.488 54.000 -0.011 0.000 0.879 78 D CB 0.172 40.962 40.800 -0.018 0.000 0.919 78 D HN 0.308 nan 8.370 nan 0.000 0.526 79 L N 0.160 121.380 121.223 -0.005 0.000 2.465 79 L HA 0.125 4.465 4.340 -0.000 0.000 0.224 79 L C 0.830 177.701 176.870 0.002 0.000 1.145 79 L CA 0.235 55.073 54.840 -0.003 0.000 0.834 79 L CB -0.111 41.947 42.059 -0.002 0.000 0.944 79 L HN -0.093 nan 8.230 nan 0.000 0.451 80 A N -0.696 122.127 122.820 0.005 0.000 2.547 80 A HA 0.656 4.976 4.320 -0.000 0.000 0.298 80 A C -0.505 177.086 177.584 0.013 0.000 1.062 80 A CA 0.015 52.058 52.037 0.010 0.000 0.748 80 A CB 0.822 19.827 19.000 0.010 0.000 1.288 80 A HN 0.064 nan 8.150 nan 0.000 0.396 81 G N -0.037 108.775 108.800 0.020 0.000 2.816 81 G HA2 0.569 4.529 3.960 -0.000 0.000 0.288 81 G HA3 0.569 4.529 3.960 -0.000 0.000 0.288 81 G C 0.413 175.342 174.900 0.049 0.000 1.334 81 G CA -0.667 44.450 45.100 0.029 0.000 0.978 81 G HN 0.616 nan 8.290 nan 0.000 0.493 82 L N 1.090 122.356 121.223 0.072 0.000 1.978 82 L HA -0.222 4.118 4.340 -0.000 0.000 0.235 82 L C 3.474 180.462 176.870 0.196 0.000 1.094 82 L CA 2.983 57.912 54.840 0.149 0.000 0.814 82 L CB -1.446 40.701 42.059 0.147 0.000 0.911 82 L HN 0.741 nan 8.230 nan 0.000 0.442 83 A N -0.714 122.179 122.820 0.122 0.000 1.916 83 A HA -0.397 3.923 4.320 -0.000 0.000 0.224 83 A C 2.023 179.667 177.584 0.099 0.000 1.366 83 A CA 2.849 54.939 52.037 0.088 0.000 0.692 83 A CB -1.424 17.598 19.000 0.037 0.000 0.841 83 A HN 0.622 nan 8.150 nan 0.000 0.480 84 D N -0.791 119.650 120.400 0.069 0.000 2.144 84 D HA 0.139 4.779 4.640 -0.000 0.000 0.200 84 D C 2.242 178.569 176.300 0.046 0.000 0.978 84 D CA 1.418 55.447 54.000 0.048 0.000 0.833 84 D CB -0.237 40.580 40.800 0.029 0.000 0.961 84 D HN 0.529 nan 8.370 nan 0.000 0.470 85 A N 0.358 123.202 122.820 0.040 0.000 1.877 85 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 85 A C 1.881 179.438 177.584 -0.044 0.000 1.186 85 A CA 1.275 53.300 52.037 -0.020 0.000 0.620 85 A CB -0.762 18.199 19.000 -0.065 0.000 0.822 85 A HN 0.335 nan 8.150 nan 0.000 0.443 86 H N -0.540 118.534 119.070 0.006 0.000 2.352 86 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 86 H C 2.105 177.437 175.328 0.007 0.000 1.097 86 H CA 1.868 57.920 56.048 0.007 0.000 1.311 86 H CB -0.067 29.698 29.762 0.006 0.000 1.377 86 H HN 0.539 nan 8.280 nan 0.000 0.504 87 K N 0.889 121.363 120.400 0.123 0.000 2.097 87 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 87 K C 2.139 178.762 176.600 0.040 0.000 1.049 87 K CA 1.447 57.774 56.287 0.067 0.000 0.933 87 K CB 0.178 32.707 32.500 0.048 0.000 0.717 87 K HN 0.120 nan 8.250 nan 0.000 0.442 88 E N 0.626 120.842 120.200 0.025 0.000 2.106 88 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 88 E C 1.826 178.427 176.600 0.001 0.000 0.984 88 E CA 0.669 57.074 56.400 0.008 0.000 0.806 88 E CB -0.150 29.549 29.700 -0.002 0.000 0.750 88 E HN 0.222 nan 8.360 nan 0.000 0.458 89 L N 0.990 122.208 121.223 -0.008 0.000 2.017 89 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 89 L C 1.344 178.219 176.870 0.008 0.000 1.073 89 L CA 2.190 57.022 54.840 -0.014 0.000 0.745 89 L CB -0.746 41.287 42.059 -0.043 0.000 0.894 89 L HN 0.088 nan 8.230 nan 0.000 0.432 90 D N -0.703 119.717 120.400 0.033 0.000 2.123 90 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 90 D C 2.272 178.598 176.300 0.043 0.000 0.992 90 D CA 1.451 55.483 54.000 0.053 0.000 0.833 90 D CB -0.238 40.602 40.800 0.066 0.000 0.954 90 D HN 0.327 nan 8.370 nan 0.000 0.455 91 R N 0.756 121.271 120.500 0.026 0.000 2.094 91 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 91 R C 1.685 177.987 176.300 0.003 0.000 1.137 91 R CA 1.412 57.522 56.100 0.016 0.000 0.943 91 R CB 0.005 30.311 30.300 0.010 0.000 0.850 91 R HN 0.108 nan 8.270 nan 0.000 0.433 92 E N 0.119 120.315 120.200 -0.007 0.000 2.106 92 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 92 E C 2.150 178.719 176.600 -0.052 0.000 0.984 92 E CA 1.056 57.442 56.400 -0.024 0.000 0.806 92 E CB -0.212 29.477 29.700 -0.018 0.000 0.750 92 E HN 0.243 nan 8.360 nan 0.000 0.458 93 V N 1.686 121.570 119.914 -0.050 0.000 2.358 93 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 93 V C 2.439 178.458 176.094 -0.125 0.000 1.047 93 V CA 1.726 63.961 62.300 -0.108 0.000 1.035 93 V CB -0.806 30.958 31.823 -0.099 0.000 0.658 93 V HN 0.241 nan 8.190 nan 0.000 0.452 94 A N -0.007 122.810 122.820 -0.004 0.000 1.902 94 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 94 A C 2.323 179.913 177.584 0.010 0.000 1.181 94 A CA 2.206 54.295 52.037 0.087 0.000 0.623 94 A CB -0.499 18.583 19.000 0.136 0.000 0.818 94 A HN 0.560 nan 8.150 nan 0.000 0.443 95 K N -0.506 119.882 120.400 -0.021 0.000 2.009 95 K HA -0.189 4.130 4.320 -0.000 0.000 0.210 95 K C 1.945 178.499 176.600 -0.078 0.000 1.049 95 K CA 1.838 58.102 56.287 -0.039 0.000 0.929 95 K CB -0.377 32.101 32.500 -0.036 0.000 0.714 95 K HN 0.344 nan 8.250 nan 0.000 0.440 96 L N 1.031 122.175 121.223 -0.131 0.000 2.046 96 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 96 L C 2.017 178.754 176.870 -0.221 0.000 1.077 96 L CA 1.392 56.097 54.840 -0.226 0.000 0.747 96 L CB -0.473 41.372 42.059 -0.355 0.000 0.896 96 L HN 0.205 nan 8.230 nan 0.000 0.432 97 L N 0.083 121.194 121.223 -0.186 0.000 2.093 97 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 97 L C 2.616 179.454 176.870 -0.053 0.000 1.085 97 L CA 2.081 56.838 54.840 -0.139 0.000 0.755 97 L CB -1.236 40.721 42.059 -0.170 0.000 0.904 97 L HN 0.660 nan 8.230 nan 0.000 0.435 98 E N -1.066 119.113 120.200 -0.036 0.000 2.216 98 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 98 E C 2.186 178.769 176.600 -0.027 0.000 0.988 98 E CA 0.593 56.982 56.400 -0.019 0.000 0.834 98 E CB -0.300 29.395 29.700 -0.009 0.000 0.772 98 E HN 0.173 nan 8.360 nan 0.000 0.479 99 R N 2.288 122.761 120.500 -0.046 0.000 2.115 99 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 99 R C 0.268 176.548 176.300 -0.034 0.000 1.111 99 R CA 1.175 57.249 56.100 -0.042 0.000 0.976 99 R CB 0.075 30.341 30.300 -0.056 0.000 0.870 99 R HN 0.224 nan 8.270 nan 0.000 0.445 100 R N 0.083 120.553 120.500 -0.049 0.000 2.487 100 R HA 0.320 4.660 4.340 -0.000 0.000 0.288 100 R C -2.371 173.935 176.300 0.011 0.000 1.394 100 R CA -1.668 54.424 56.100 -0.014 0.000 1.155 100 R CB 1.672 31.969 30.300 -0.006 0.000 1.156 100 R HN 0.086 nan 8.270 nan 0.000 0.553 101 P HA -0.024 nan 4.420 nan 0.000 0.240 101 P C 0.035 177.449 177.300 0.190 0.000 1.190 101 P CA 0.520 63.677 63.100 0.094 0.000 0.781 101 P CB 0.350 32.073 31.700 0.038 0.000 0.931 102 D N -0.130 120.343 120.400 0.123 0.000 2.363 102 D HA 0.041 4.681 4.640 -0.000 0.000 0.226 102 D C 0.491 176.841 176.300 0.085 0.000 1.020 102 D CA 0.344 54.415 54.000 0.119 0.000 0.892 102 D CB 0.118 40.971 40.800 0.089 0.000 0.900 102 D HN 0.220 nan 8.370 nan 0.000 0.531 103 I N 1.226 121.841 120.570 0.076 0.000 2.371 103 I HA 0.030 4.200 4.170 -0.000 0.000 0.290 103 I C 1.513 177.587 176.117 -0.072 0.000 1.028 103 I CA 0.088 61.413 61.300 0.041 0.000 1.345 103 I CB 1.002 39.042 38.000 0.066 0.000 1.407 103 I HN -0.286 nan 8.210 nan 0.000 0.501 104 R N 4.456 124.901 120.500 -0.092 0.000 2.373 104 R HA 0.282 4.622 4.340 -0.000 0.000 0.221 104 R C -0.265 175.968 176.300 -0.111 0.000 0.893 104 R CA 0.069 56.054 56.100 -0.192 0.000 1.049 104 R CB 0.437 30.629 30.300 -0.180 0.000 1.119 104 R HN 0.587 nan 8.270 nan 0.000 0.535 105 Q N 1.003 120.773 119.800 -0.050 0.000 2.290 105 Q HA 0.375 4.715 4.340 -0.000 0.000 0.269 105 Q C -1.708 174.210 176.000 -0.136 0.000 1.016 105 Q CA -0.653 55.103 55.803 -0.077 0.000 0.754 105 Q CB 2.526 31.264 28.738 -0.000 0.000 1.247 105 Q HN -0.106 nan 8.270 nan 0.000 0.451 106 L N 3.442 124.527 121.223 -0.231 0.000 2.319 106 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 106 L C -1.755 174.960 176.870 -0.258 0.000 1.005 106 L CA -0.136 54.612 54.840 -0.153 0.000 0.828 106 L CB 0.670 42.662 42.059 -0.112 0.000 1.227 106 L HN 0.429 nan 8.230 nan 0.000 0.415 107 F N 5.732 125.653 119.950 -0.048 0.000 2.385 107 F HA 0.436 4.963 4.527 -0.000 0.000 0.360 107 F C -0.066 175.742 175.800 0.014 0.000 1.122 107 F CA -0.491 57.503 58.000 -0.009 0.000 1.090 107 F CB 1.039 39.941 39.000 -0.162 0.000 1.150 107 F HN 0.224 nan 8.300 nan 0.000 0.472 108 L N 5.233 126.545 121.223 0.148 0.000 2.295 108 L HA 0.379 4.719 4.340 -0.000 0.000 0.288 108 L C -0.578 176.256 176.870 -0.061 0.000 1.079 108 L CA -0.662 54.212 54.840 0.057 0.000 0.830 108 L CB 0.469 42.550 42.059 0.037 0.000 1.200 108 L HN 0.306 nan 8.230 nan 0.000 0.438 109 V N 2.644 122.482 119.914 -0.126 0.000 2.370 109 V HA 0.401 4.521 4.120 -0.000 0.000 0.279 109 V C 0.891 176.866 176.094 -0.198 0.000 1.029 109 V CA -0.632 61.453 62.300 -0.360 0.000 0.870 109 V CB 1.329 32.948 31.823 -0.340 0.000 0.984 109 V HN 0.826 nan 8.190 nan 0.000 0.451 110 G N 3.603 112.287 108.800 -0.193 0.000 2.380 110 G HA2 0.480 4.440 3.960 -0.000 0.000 0.262 110 G HA3 0.480 4.440 3.960 -0.000 0.000 0.262 110 G C 0.217 175.079 174.900 -0.063 0.000 1.243 110 G CA 0.136 45.185 45.100 -0.085 0.000 0.865 110 G HN 0.897 nan 8.290 nan 0.000 0.513 111 S N 0.427 116.105 115.700 -0.036 0.000 2.766 111 S HA 0.295 4.765 4.470 -0.000 0.000 0.307 111 S C 1.386 175.982 174.600 -0.007 0.000 1.121 111 S CA -0.385 57.803 58.200 -0.021 0.000 0.980 111 S CB 1.197 64.387 63.200 -0.017 0.000 1.159 111 S HN 0.568 nan 8.310 nan 0.000 0.546 112 C N 0.986 120.286 119.300 0.000 0.000 2.432 112 C HA 0.073 4.533 4.460 -0.000 0.000 0.277 112 C C -0.414 174.577 174.990 0.002 0.000 1.249 112 C CA 1.141 60.162 59.018 0.005 0.000 1.725 112 C CB -2.365 25.380 27.740 0.008 0.000 2.028 112 C HN 0.737 nan 8.230 nan 0.000 0.477 113 P HA -0.130 nan 4.420 nan 0.000 0.216 113 P C 1.943 179.239 177.300 -0.006 0.000 1.153 113 P CA 2.723 65.822 63.100 -0.003 0.000 0.858 113 P CB -0.291 31.406 31.700 -0.004 0.000 0.789 114 S N -0.656 115.038 115.700 -0.011 0.000 2.383 114 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 114 S C 1.919 176.516 174.600 -0.006 0.000 1.026 114 S CA 1.210 59.400 58.200 -0.017 0.000 0.981 114 S CB -1.129 62.056 63.200 -0.026 0.000 0.818 114 S HN 0.192 nan 8.310 nan 0.000 0.472 115 E N 0.695 120.896 120.200 0.001 0.000 2.072 115 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 115 E C 2.149 178.756 176.600 0.013 0.000 0.982 115 E CA 1.034 57.441 56.400 0.010 0.000 0.803 115 E CB -0.242 29.465 29.700 0.013 0.000 0.755 115 E HN 0.383 nan 8.360 nan 0.000 0.453 116 V N 1.515 121.434 119.914 0.010 0.000 2.343 116 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 116 V C 2.218 178.319 176.094 0.011 0.000 1.051 116 V CA 1.403 63.710 62.300 0.010 0.000 1.036 116 V CB -0.369 31.459 31.823 0.008 0.000 0.654 116 V HN 0.318 nan 8.190 nan 0.000 0.451 117 L N -0.789 120.438 121.223 0.007 0.000 2.362 117 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 117 L C 1.411 178.290 176.870 0.016 0.000 1.134 117 L CA 0.730 55.574 54.840 0.007 0.000 0.807 117 L CB -0.415 41.641 42.059 -0.004 0.000 0.927 117 L HN 0.364 nan 8.230 nan 0.000 0.447 118 K N 0.231 120.642 120.400 0.020 0.000 3.069 118 K HA -0.176 4.144 4.320 -0.000 0.000 0.267 118 K C -0.408 176.224 176.600 0.054 0.000 1.082 118 K CA 0.418 56.726 56.287 0.034 0.000 0.782 118 K CB -1.808 30.714 32.500 0.036 0.000 1.230 118 K HN 0.277 nan 8.250 nan 0.000 0.488 119 L N -0.582 120.659 121.223 0.030 0.000 2.410 119 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 119 L C 0.613 177.534 176.870 0.086 0.000 1.152 119 L CA -0.453 54.408 54.840 0.035 0.000 0.855 119 L CB 0.501 42.474 42.059 -0.142 0.000 1.129 119 L HN -0.035 nan 8.230 nan 0.000 0.463 120 D N 2.983 123.515 120.400 0.220 0.000 2.453 120 D HA 0.155 4.795 4.640 -0.000 0.000 0.223 120 D C 0.664 177.083 176.300 0.199 0.000 1.183 120 D CA -0.235 53.870 54.000 0.174 0.000 0.933 120 D CB 1.163 42.041 40.800 0.129 0.000 1.038 120 D HN 0.407 nan 8.370 nan 0.000 0.513 121 L N 2.977 124.263 121.223 0.104 0.000 2.217 121 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 121 L C 1.676 178.596 176.870 0.084 0.000 1.107 121 L CA 1.105 55.992 54.840 0.079 0.000 0.783 121 L CB -0.480 41.598 42.059 0.033 0.000 0.919 121 L HN 0.292 nan 8.230 nan 0.000 0.442 122 D N -0.729 119.720 120.400 0.082 0.000 2.123 122 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 122 D C 2.354 178.688 176.300 0.056 0.000 0.992 122 D CA 0.967 55.011 54.000 0.072 0.000 0.833 122 D CB -0.090 40.751 40.800 0.069 0.000 0.954 122 D HN 0.180 nan 8.370 nan 0.000 0.455 123 R N 0.275 120.812 120.500 0.062 0.000 2.090 123 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 123 R C 2.021 178.349 176.300 0.047 0.000 1.110 123 R CA 1.031 57.151 56.100 0.033 0.000 0.973 123 R CB -0.069 30.228 30.300 -0.005 0.000 0.869 123 R HN 0.132 nan 8.270 nan 0.000 0.440 124 A N 0.825 123.714 122.820 0.115 0.000 1.902 124 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 124 A C 2.313 179.930 177.584 0.056 0.000 1.181 124 A CA 1.625 53.739 52.037 0.128 0.000 0.623 124 A CB -0.609 18.490 19.000 0.165 0.000 0.818 124 A HN 0.476 nan 8.150 nan 0.000 0.443 125 A N 0.055 122.896 122.820 0.034 0.000 1.858 125 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 125 A C 1.958 179.518 177.584 -0.039 0.000 1.190 125 A CA 2.210 54.240 52.037 -0.013 0.000 0.617 125 A CB -0.693 18.304 19.000 -0.005 0.000 0.827 125 A HN 0.634 nan 8.150 nan 0.000 0.443 126 E N 0.042 120.228 120.200 -0.023 0.000 2.048 126 E HA -0.293 4.057 4.350 -0.000 0.000 0.202 126 E C 2.196 178.782 176.600 -0.023 0.000 1.021 126 E CA 2.197 58.579 56.400 -0.030 0.000 0.825 126 E CB -0.287 29.403 29.700 -0.015 0.000 0.756 126 E HN 0.571 nan 8.360 nan 0.000 0.454 127 R N -0.596 119.901 120.500 -0.005 0.000 2.073 127 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 127 R C 2.166 178.479 176.300 0.021 0.000 1.134 127 R CA 1.512 57.614 56.100 0.002 0.000 0.952 127 R CB -0.286 30.020 30.300 0.009 0.000 0.850 127 R HN 0.267 nan 8.270 nan 0.000 0.433 128 L N 0.729 121.978 121.223 0.045 0.000 2.141 128 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 128 L C 2.280 179.217 176.870 0.112 0.000 1.094 128 L CA 1.477 56.387 54.840 0.117 0.000 0.763 128 L CB -1.056 41.049 42.059 0.077 0.000 0.908 128 L HN 0.207 nan 8.230 nan 0.000 0.437 129 S N -0.086 115.614 115.700 0.000 0.000 2.356 129 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 129 S C 2.050 176.638 174.600 -0.019 0.000 1.032 129 S CA 1.171 59.344 58.200 -0.045 0.000 1.005 129 S CB -0.583 62.546 63.200 -0.118 0.000 0.867 129 S HN 0.568 nan 8.310 nan 0.000 0.449 130 G N 1.303 110.090 108.800 -0.022 0.000 2.440 130 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 130 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 130 G C 1.304 176.181 174.900 -0.039 0.000 1.154 130 G CA 0.724 45.807 45.100 -0.029 0.000 0.767 130 G HN 0.363 nan 8.290 nan 0.000 0.552 131 L N -0.544 120.653 121.223 -0.043 0.000 2.179 131 L HA 0.170 4.510 4.340 -0.000 0.000 0.208 131 L C 2.048 178.757 176.870 -0.268 0.000 1.096 131 L CA 1.343 56.090 54.840 -0.155 0.000 0.779 131 L CB -0.278 41.668 42.059 -0.189 0.000 0.922 131 L HN 0.302 nan 8.230 nan 0.000 0.443 132 H N -1.710 117.343 119.070 -0.029 0.000 2.652 132 H HA 0.471 5.027 4.556 -0.000 0.000 0.274 132 H C 0.845 176.171 175.328 -0.003 0.000 1.021 132 H CA 0.111 56.150 56.048 -0.015 0.000 1.187 132 H CB 0.090 29.840 29.762 -0.019 0.000 1.505 132 H HN 0.193 nan 8.280 nan 0.000 0.530 133 A N 2.034 124.886 122.820 0.054 0.000 2.520 133 A HA 0.115 4.435 4.320 -0.000 0.000 0.235 133 A C -1.007 176.598 177.584 0.035 0.000 1.065 133 A CA -0.705 51.348 52.037 0.026 0.000 0.764 133 A CB 0.159 19.154 19.000 -0.007 0.000 1.002 133 A HN 0.266 nan 8.150 nan 0.000 0.502 134 P HA 0.077 nan 4.420 nan 0.000 0.268 134 P C 0.769 178.112 177.300 0.071 0.000 1.329 134 P CA 0.474 63.599 63.100 0.041 0.000 0.899 134 P CB 0.085 31.803 31.700 0.031 0.000 1.378 135 H N 0.334 119.407 119.070 0.005 0.000 2.372 135 H HA 0.094 4.650 4.556 -0.000 0.000 0.301 135 H C -0.312 175.015 175.328 -0.001 0.000 1.065 135 H CA 0.928 56.981 56.048 0.008 0.000 1.364 135 H CB 0.639 30.412 29.762 0.018 0.000 1.406 135 H HN -0.130 nan 8.280 nan 0.000 0.521 136 V N 3.718 123.626 119.914 -0.009 0.000 2.444 136 V HA 0.304 4.424 4.120 -0.000 0.000 0.294 136 V C -0.245 175.784 176.094 -0.108 0.000 1.022 136 V CA -0.839 61.404 62.300 -0.095 0.000 0.850 136 V CB 1.781 33.565 31.823 -0.065 0.000 0.992 136 V HN 0.225 nan 8.190 nan 0.000 0.426 137 R N 2.815 123.211 120.500 -0.174 0.000 2.349 137 R HA 0.649 4.989 4.340 -0.000 0.000 0.299 137 R C -0.616 175.432 176.300 -0.421 0.000 1.027 137 R CA -0.423 55.496 56.100 -0.302 0.000 0.958 137 R CB 2.164 32.258 30.300 -0.343 0.000 1.047 137 R HN 0.533 nan 8.270 nan 0.000 0.468 138 V N 4.034 123.655 119.914 -0.489 0.000 2.540 138 V HA 0.559 4.679 4.120 -0.000 0.000 0.302 138 V C -1.512 174.276 176.094 -0.510 0.000 1.035 138 V CA -0.614 61.432 62.300 -0.423 0.000 0.873 138 V CB 1.354 33.051 31.823 -0.211 0.000 0.992 138 V HN 0.668 nan 8.190 nan 0.000 0.428 139 Y N 3.390 123.531 120.300 -0.265 0.000 2.650 139 Y HA 0.817 5.367 4.550 -0.000 0.000 0.331 139 Y C 0.435 176.350 175.900 0.026 0.000 1.082 139 Y CA -0.566 57.462 58.100 -0.120 0.000 1.171 139 Y CB 2.241 40.601 38.460 -0.166 0.000 1.326 139 Y HN 0.718 nan 8.280 nan 0.000 0.513 140 S N 0.895 116.790 115.700 0.325 0.000 2.575 140 S HA 0.710 5.180 4.470 -0.000 0.000 0.278 140 S C -1.816 172.991 174.600 0.344 0.000 1.139 140 S CA -0.484 57.865 58.200 0.250 0.000 0.954 140 S CB 0.530 63.810 63.200 0.133 0.000 1.054 140 S HN 0.644 nan 8.310 nan 0.000 0.483 141 Y N 0.060 120.467 120.300 0.179 0.000 2.670 141 Y HA 0.755 5.305 4.550 -0.000 0.000 0.334 141 Y C -0.500 175.454 175.900 0.090 0.000 1.185 141 Y CA -1.010 57.165 58.100 0.125 0.000 1.053 141 Y CB 1.112 39.644 38.460 0.120 0.000 1.298 141 Y HN 0.495 nan 8.280 nan 0.000 0.459 142 T N 0.404 115.068 114.554 0.183 0.000 2.799 142 T HA 0.538 4.888 4.350 -0.000 0.000 0.286 142 T C 0.501 175.279 174.700 0.130 0.000 0.973 142 T CA 0.138 62.277 62.100 0.065 0.000 1.035 142 T CB 0.454 69.366 68.868 0.074 0.000 0.932 142 T HN 1.119 nan 8.240 nan 0.000 0.469 143 G N 2.634 111.439 108.800 0.008 0.000 3.596 143 G HA2 0.251 4.211 3.960 -0.000 0.000 0.274 143 G HA3 0.251 4.211 3.960 -0.000 0.000 0.274 143 G C 0.485 175.400 174.900 0.024 0.000 1.007 143 G CA 0.004 45.132 45.100 0.047 0.000 0.825 143 G HN 0.899 nan 8.290 nan 0.000 0.508 144 S N -0.439 115.272 115.700 0.019 0.000 2.579 144 S HA 0.400 4.870 4.470 -0.000 0.000 0.275 144 S C 1.741 176.361 174.600 0.033 0.000 1.345 144 S CA 0.405 58.616 58.200 0.018 0.000 1.031 144 S CB 1.611 64.819 63.200 0.013 0.000 0.892 144 S HN 0.303 nan 8.310 nan 0.000 0.529 145 G N 1.026 109.845 108.800 0.031 0.000 2.470 145 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 145 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 145 G C 1.157 176.076 174.900 0.032 0.000 1.121 145 G CA 0.640 45.761 45.100 0.036 0.000 0.766 145 G HN 0.705 nan 8.290 nan 0.000 0.553 146 L N 0.059 121.298 121.223 0.027 0.000 2.093 146 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 146 L C 1.976 178.863 176.870 0.030 0.000 1.085 146 L CA 1.149 56.005 54.840 0.026 0.000 0.755 146 L CB -0.152 41.920 42.059 0.022 0.000 0.904 146 L HN 0.091 nan 8.230 nan 0.000 0.435 147 D N -2.010 118.409 120.400 0.031 0.000 2.423 147 D HA 0.085 4.725 4.640 -0.000 0.000 0.212 147 D C 0.615 176.930 176.300 0.024 0.000 1.060 147 D CA 0.565 54.581 54.000 0.027 0.000 0.872 147 D CB 1.020 41.839 40.800 0.033 0.000 1.012 147 D HN 0.061 nan 8.370 nan 0.000 0.503 148 T N -0.556 114.022 114.554 0.039 0.000 2.923 148 T HA 0.394 4.744 4.350 -0.000 0.000 0.311 148 T C -1.259 173.487 174.700 0.078 0.000 1.183 148 T CA -0.336 61.791 62.100 0.046 0.000 1.020 148 T CB 2.114 71.014 68.868 0.054 0.000 1.165 148 T HN -0.321 nan 8.240 nan 0.000 0.482 149 T N 3.988 118.600 114.554 0.098 0.000 2.815 149 T HA 0.487 4.836 4.350 -0.000 0.000 0.289 149 T C 0.387 175.231 174.700 0.239 0.000 1.000 149 T CA -0.429 61.770 62.100 0.165 0.000 0.958 149 T CB 0.346 69.315 68.868 0.169 0.000 0.944 149 T HN 0.726 nan 8.240 nan 0.000 0.442 150 F N 2.132 122.133 119.950 0.085 0.000 2.625 150 F HA -0.443 4.084 4.527 -0.000 0.000 0.222 150 F C 2.438 178.239 175.800 0.001 0.000 1.455 150 F CA 2.234 60.287 58.000 0.088 0.000 1.954 150 F CB -1.034 38.051 39.000 0.142 0.000 0.472 150 F HN 0.624 nan 8.300 nan 0.000 0.266 151 T N -0.766 113.613 114.554 -0.293 0.000 2.929 151 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 151 T C 1.290 175.697 174.700 -0.490 0.000 1.085 151 T CA 1.647 63.322 62.100 -0.709 0.000 1.125 151 T CB -0.526 67.308 68.868 -1.723 0.000 0.874 151 T HN 0.685 nan 8.240 nan 0.000 0.494 152 Q N 0.757 120.449 119.800 -0.180 0.000 2.297 152 Q HA -0.023 4.317 4.340 -0.000 0.000 0.208 152 Q C 2.596 178.570 176.000 -0.043 0.000 0.981 152 Q CA 1.131 56.907 55.803 -0.046 0.000 0.876 152 Q CB -0.604 28.133 28.738 -0.002 0.000 0.921 152 Q HN 0.784 nan 8.270 nan 0.000 0.446 153 G N 1.099 109.858 108.800 -0.068 0.000 2.422 153 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.218 153 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.218 153 G C 1.175 175.951 174.900 -0.207 0.000 1.146 153 G CA 0.833 45.896 45.100 -0.061 0.000 0.769 153 G HN 0.414 nan 8.290 nan 0.000 0.547 154 E N 0.223 120.287 120.200 -0.227 0.000 2.110 154 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 154 E C 1.999 178.539 176.600 -0.099 0.000 0.988 154 E CA 1.198 57.498 56.400 -0.168 0.000 0.804 154 E CB -0.138 29.630 29.700 0.113 0.000 0.745 154 E HN 0.349 nan 8.360 nan 0.000 0.458 155 D N -0.385 120.020 120.400 0.008 0.000 2.084 155 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 155 D C 2.055 178.312 176.300 -0.071 0.000 0.990 155 D CA 2.497 56.516 54.000 0.032 0.000 0.826 155 D CB -0.309 40.549 40.800 0.097 0.000 0.971 155 D HN 0.335 nan 8.370 nan 0.000 0.453 156 T N -1.851 112.642 114.554 -0.102 0.000 2.821 156 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 156 T C 2.482 176.968 174.700 -0.356 0.000 1.046 156 T CA 1.236 63.281 62.100 -0.091 0.000 1.139 156 T CB -1.224 67.706 68.868 0.102 0.000 0.871 156 T HN 0.341 nan 8.240 nan 0.000 0.454 157 C N 1.555 120.331 119.300 -0.873 0.000 2.413 157 C HA 0.047 4.507 4.460 -0.000 0.000 0.278 157 C C 2.699 177.405 174.990 -0.473 0.000 1.224 157 C CA 0.711 58.984 59.018 -1.242 0.000 1.732 157 C CB -1.604 25.376 27.740 -1.267 0.000 2.050 157 C HN 0.654 nan 8.230 nan 0.000 0.463 158 L N 1.496 122.536 121.223 -0.305 0.000 2.046 158 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 158 L C 3.073 179.881 176.870 -0.104 0.000 1.077 158 L CA 1.748 56.493 54.840 -0.159 0.000 0.747 158 L CB -1.084 40.919 42.059 -0.095 0.000 0.896 158 L HN 0.488 nan 8.230 nan 0.000 0.432 159 A N 0.247 123.015 122.820 -0.087 0.000 1.978 159 A HA 0.021 4.340 4.320 -0.000 0.000 0.220 159 A C 1.660 179.246 177.584 0.004 0.000 1.170 159 A CA 1.256 53.272 52.037 -0.035 0.000 0.636 159 A CB -0.579 18.414 19.000 -0.012 0.000 0.810 159 A HN 0.392 nan 8.150 nan 0.000 0.448 163 P HA -0.170 nan 4.420 nan 0.000 0.217 163 P C 1.560 178.895 177.300 0.059 0.000 1.148 163 P CA 2.529 65.661 63.100 0.053 0.000 0.828 163 P CB -0.064 31.676 31.700 0.066 0.000 0.783 164 T N -3.912 110.698 114.554 0.093 0.000 3.044 164 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 164 T C 0.703 175.451 174.700 0.081 0.000 1.081 164 T CA -0.137 62.019 62.100 0.093 0.000 1.040 164 T CB -0.771 68.185 68.868 0.146 0.000 0.962 164 T HN -0.130 nan 8.240 nan 0.000 0.506 165 L N 2.547 123.812 121.223 0.071 0.000 2.499 165 L HA 0.185 4.525 4.340 -0.000 0.000 0.281 165 L C 0.402 177.294 176.870 0.036 0.000 1.234 165 L CA -0.391 54.479 54.840 0.050 0.000 0.839 165 L CB 0.139 42.215 42.059 0.028 0.000 1.104 165 L HN 0.249 nan 8.230 nan 0.000 0.500 166 D N 0.572 120.991 120.400 0.032 0.000 2.423 166 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 166 D C 0.205 176.518 176.300 0.022 0.000 1.142 166 D CA 0.244 54.260 54.000 0.025 0.000 0.884 166 D CB 0.786 41.600 40.800 0.024 0.000 1.199 166 D HN 0.431 nan 8.370 nan 0.000 0.438 167 T N 0.771 115.337 114.554 0.020 0.000 2.897 167 T HA 0.361 4.711 4.350 -0.000 0.000 0.294 167 T C -0.212 174.499 174.700 0.019 0.000 1.004 167 T CA 0.127 62.238 62.100 0.018 0.000 1.106 167 T CB 0.551 69.429 68.868 0.017 0.000 0.949 167 T HN 0.299 nan 8.240 nan 0.000 0.520 168 T N 1.978 116.545 114.554 0.021 0.000 2.889 168 T HA 0.359 4.709 4.350 -0.000 0.000 0.315 168 T C 0.314 175.028 174.700 0.023 0.000 1.291 168 T CA -0.615 61.498 62.100 0.022 0.000 1.028 168 T CB 1.571 70.454 68.868 0.026 0.000 1.235 168 T HN 0.771 nan 8.240 nan 0.000 0.491 169 E N 1.858 122.071 120.200 0.022 0.000 2.481 169 E HA 0.551 4.901 4.350 -0.000 0.000 0.198 169 E C 0.698 177.312 176.600 0.025 0.000 1.027 169 E CA -0.406 56.007 56.400 0.021 0.000 0.900 169 E CB 0.407 30.116 29.700 0.017 0.000 0.993 169 E HN 0.585 nan 8.360 nan 0.000 0.482 170 A N 1.260 124.097 122.820 0.029 0.000 2.406 170 A HA 0.501 4.821 4.320 -0.000 0.000 0.243 170 A C 0.534 178.145 177.584 0.046 0.000 1.082 170 A CA 0.205 52.264 52.037 0.036 0.000 0.786 170 A CB 0.366 19.389 19.000 0.037 0.000 1.029 170 A HN 0.424 nan 8.150 nan 0.000 0.495 171 A N 2.153 125.006 122.820 0.056 0.000 3.173 171 A HA 0.495 4.815 4.320 -0.000 0.000 0.304 171 A C 0.078 177.741 177.584 0.131 0.000 1.318 171 A CA -0.442 51.638 52.037 0.071 0.000 1.069 171 A CB -0.388 18.636 19.000 0.041 0.000 1.147 171 A HN 0.820 nan 8.150 nan 0.000 0.547 172 E N 0.380 120.651 120.200 0.118 0.000 2.250 172 E HA 0.480 4.830 4.350 -0.000 0.000 0.265 172 E C -0.744 175.951 176.600 0.157 0.000 1.033 172 E CA -0.773 55.702 56.400 0.124 0.000 0.888 172 E CB 1.772 31.517 29.700 0.074 0.000 1.151 172 E HN 0.471 nan 8.360 nan 0.000 0.412 173 L N 2.526 123.827 121.223 0.129 0.000 2.325 173 L HA 0.461 4.801 4.340 -0.000 0.000 0.279 173 L C -0.931 176.002 176.870 0.105 0.000 1.054 173 L CA -0.497 54.422 54.840 0.133 0.000 0.804 173 L CB 0.671 42.746 42.059 0.026 0.000 1.200 173 L HN 0.504 nan 8.230 nan 0.000 0.436 174 I N 4.784 125.443 120.570 0.148 0.000 2.389 174 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 174 I C -0.480 175.745 176.117 0.181 0.000 0.999 174 I CA -0.742 60.643 61.300 0.141 0.000 1.129 174 I CB 2.018 40.093 38.000 0.125 0.000 1.288 174 I HN 0.198 nan 8.210 nan 0.000 0.444 175 V N 7.436 127.444 119.914 0.158 0.000 2.348 175 V HA 0.264 4.384 4.120 -0.000 0.000 0.270 175 V C 0.193 176.386 176.094 0.165 0.000 1.037 175 V CA -0.537 61.893 62.300 0.216 0.000 0.872 175 V CB 1.526 33.500 31.823 0.252 0.000 1.002 175 V HN 0.397 nan 8.190 nan 0.000 0.464 176 V N 3.931 123.961 119.914 0.193 0.000 2.481 176 V HA 0.949 5.069 4.120 -0.000 0.000 0.286 176 V C 0.582 176.723 176.094 0.079 0.000 1.042 176 V CA 0.144 62.519 62.300 0.124 0.000 0.928 176 V CB 1.051 32.964 31.823 0.149 0.000 0.986 176 V HN 1.217 nan 8.190 nan 0.000 0.462 177 G N 3.202 112.026 108.800 0.039 0.000 3.187 177 G HA2 0.392 4.352 3.960 -0.000 0.000 0.682 177 G HA3 0.392 4.352 3.960 -0.000 0.000 0.682 177 G C -0.389 174.519 174.900 0.014 0.000 1.266 177 G CA -0.493 44.613 45.100 0.011 0.000 0.902 177 G HN 1.433 nan 8.290 nan 0.000 0.589 178 A N 2.294 125.170 122.820 0.093 0.000 2.522 178 A HA 0.640 4.960 4.320 -0.000 0.000 0.256 178 A C 0.632 178.226 177.584 0.017 0.000 1.086 178 A CA 0.407 52.504 52.037 0.099 0.000 0.763 178 A CB 0.073 19.214 19.000 0.234 0.000 1.024 178 A HN 1.239 nan 8.150 nan 0.000 0.502 179 L N 3.676 124.876 121.223 -0.037 0.000 2.341 179 L HA 0.443 4.783 4.340 -0.000 0.000 0.267 179 L C -2.329 174.516 176.870 -0.041 0.000 1.009 179 L CA -2.424 52.358 54.840 -0.096 0.000 0.819 179 L CB 2.269 44.221 42.059 -0.179 0.000 1.323 179 L HN 0.394 nan 8.230 nan 0.000 0.425 180 P HA -0.016 nan 4.420 nan 0.000 0.264 180 P C -0.082 177.199 177.300 -0.032 0.000 1.183 180 P CA 0.009 63.103 63.100 -0.010 0.000 0.763 180 P CB 0.470 32.174 31.700 0.007 0.000 0.807 181 D N 2.012 122.398 120.400 -0.022 0.000 2.172 181 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 181 D C 1.717 177.988 176.300 -0.049 0.000 0.999 181 D CA 1.324 55.304 54.000 -0.033 0.000 0.856 181 D CB -0.165 40.625 40.800 -0.017 0.000 0.934 181 D HN 0.136 nan 8.370 nan 0.000 0.453 182 V N 1.198 121.089 119.914 -0.037 0.000 2.343 182 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 182 V C 2.712 178.759 176.094 -0.078 0.000 1.051 182 V CA 1.068 63.343 62.300 -0.043 0.000 1.036 182 V CB -0.416 31.396 31.823 -0.018 0.000 0.654 182 V HN 0.066 nan 8.190 nan 0.000 0.451 183 V N -0.129 119.734 119.914 -0.086 0.000 2.323 183 V HA -0.249 3.871 4.120 -0.000 0.000 0.244 183 V C 2.439 178.366 176.094 -0.279 0.000 1.041 183 V CA 2.158 64.371 62.300 -0.146 0.000 1.025 183 V CB -0.560 31.221 31.823 -0.070 0.000 0.656 183 V HN 0.668 nan 8.190 nan 0.000 0.451 184 E N 0.375 120.453 120.200 -0.204 0.000 2.049 184 E HA -0.316 4.034 4.350 -0.000 0.000 0.198 184 E C 1.891 178.363 176.600 -0.213 0.000 1.007 184 E CA 1.973 58.249 56.400 -0.207 0.000 0.809 184 E CB -0.163 29.468 29.700 -0.114 0.000 0.749 184 E HN 0.603 nan 8.360 nan 0.000 0.450 185 D N 0.284 120.592 120.400 -0.153 0.000 2.123 185 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 185 D C 2.109 178.313 176.300 -0.161 0.000 0.992 185 D CA 1.223 55.149 54.000 -0.124 0.000 0.833 185 D CB -0.348 40.403 40.800 -0.082 0.000 0.954 185 D HN 0.390 nan 8.370 nan 0.000 0.455 186 Q N -0.100 119.572 119.800 -0.212 0.000 2.050 186 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 186 Q C 2.494 178.282 176.000 -0.353 0.000 0.980 186 Q CA 1.262 56.925 55.803 -0.235 0.000 0.840 186 Q CB -0.338 28.260 28.738 -0.235 0.000 0.898 186 Q HN 0.354 nan 8.270 nan 0.000 0.424 187 C N 0.380 119.310 119.300 -0.618 0.000 2.413 187 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 187 C C 2.437 177.282 174.990 -0.241 0.000 1.228 187 C CA 0.556 59.157 59.018 -0.696 0.000 1.731 187 C CB -0.982 26.228 27.740 -0.883 0.000 2.042 187 C HN 0.451 nan 8.230 nan 0.000 0.468 188 L N 1.351 122.464 121.223 -0.182 0.000 2.013 188 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 188 L C 3.003 179.830 176.870 -0.070 0.000 1.073 188 L CA 2.482 57.267 54.840 -0.091 0.000 0.753 188 L CB -1.492 40.519 42.059 -0.079 0.000 0.890 188 L HN 0.571 nan 8.230 nan 0.000 0.432 189 S N -1.166 114.485 115.700 -0.082 0.000 2.355 189 S HA -0.141 4.329 4.470 -0.000 0.000 0.222 189 S C 2.112 176.693 174.600 -0.032 0.000 1.031 189 S CA 1.149 59.318 58.200 -0.052 0.000 0.993 189 S CB -0.207 62.961 63.200 -0.053 0.000 0.859 189 S HN 0.351 nan 8.310 nan 0.000 0.453 190 L N 0.961 122.168 121.223 -0.027 0.000 2.046 190 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 190 L C 2.487 179.378 176.870 0.034 0.000 1.077 190 L CA 1.161 56.015 54.840 0.024 0.000 0.747 190 L CB -0.471 41.637 42.059 0.082 0.000 0.896 190 L HN 0.340 nan 8.230 nan 0.000 0.432 191 L N -1.196 120.045 121.223 0.030 0.000 2.056 191 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 191 L C 2.607 179.462 176.870 -0.025 0.000 1.078 191 L CA 1.374 56.224 54.840 0.016 0.000 0.749 191 L CB -0.863 41.202 42.059 0.010 0.000 0.901 191 L HN 0.272 nan 8.230 nan 0.000 0.433 192 T N -0.304 114.233 114.554 -0.029 0.000 2.708 192 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 192 T C 1.759 176.447 174.700 -0.020 0.000 1.037 192 T CA 1.733 63.813 62.100 -0.032 0.000 1.146 192 T CB -0.315 68.535 68.868 -0.030 0.000 0.865 192 T HN 0.519 nan 8.240 nan 0.000 0.435 193 Q N 0.876 120.668 119.800 -0.013 0.000 2.436 193 Q HA 0.088 4.427 4.340 -0.000 0.000 0.209 193 Q C 2.019 178.019 176.000 -0.000 0.000 0.965 193 Q CA 0.858 56.656 55.803 -0.009 0.000 0.910 193 Q CB -0.577 28.154 28.738 -0.012 0.000 0.980 193 Q HN 0.435 nan 8.270 nan 0.000 0.491 194 L N 0.111 121.339 121.223 0.008 0.000 2.395 194 L HA 0.124 4.464 4.340 -0.000 0.000 0.218 194 L C 1.141 178.026 176.870 0.025 0.000 1.130 194 L CA 0.744 55.604 54.840 0.032 0.000 0.826 194 L CB -0.053 42.047 42.059 0.069 0.000 0.941 194 L HN 0.631 nan 8.230 nan 0.000 0.451 195 G N -0.223 108.576 108.800 -0.002 0.000 2.134 195 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.209 195 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.209 195 G C -0.020 174.854 174.900 -0.043 0.000 0.993 195 G CA -0.143 44.953 45.100 -0.006 0.000 0.669 195 G HN 0.061 nan 8.290 nan 0.000 0.519 196 V N 0.704 120.558 119.914 -0.101 0.000 2.350 196 V HA 0.841 4.961 4.120 -0.000 0.000 0.276 196 V C 0.770 176.737 176.094 -0.212 0.000 1.028 196 V CA 0.510 62.654 62.300 -0.260 0.000 0.860 196 V CB 1.073 32.664 31.823 -0.387 0.000 0.990 196 V HN 1.278 nan 8.190 nan 0.000 0.453 197 G N 5.373 114.056 108.800 -0.196 0.000 2.547 197 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 197 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 197 G C -3.356 171.514 174.900 -0.049 0.000 1.471 197 G CA -0.821 44.217 45.100 -0.104 0.000 0.798 197 G HN 0.534 nan 8.290 nan 0.000 0.504 198 P HA 0.546 nan 4.420 nan 0.000 0.282 198 P C -0.466 176.818 177.300 -0.028 0.000 1.249 198 P CA -0.699 62.388 63.100 -0.023 0.000 0.806 198 P CB 1.773 33.473 31.700 -0.000 0.000 0.984 199 V N 2.724 122.619 119.914 -0.032 0.000 2.555 199 V HA 0.669 4.788 4.120 -0.000 0.000 0.302 199 V C -0.566 175.533 176.094 0.007 0.000 1.038 199 V CA -0.706 61.584 62.300 -0.015 0.000 0.887 199 V CB 1.561 33.365 31.823 -0.032 0.000 0.991 199 V HN 0.480 nan 8.190 nan 0.000 0.434 203 P HA 0.529 nan 4.420 nan 0.000 0.279 203 P C -0.710 176.608 177.300 0.030 0.000 1.252 203 P CA -0.377 62.737 63.100 0.022 0.000 0.811 203 P CB 1.312 33.028 31.700 0.026 0.000 1.035 204 A N 2.478 125.318 122.820 0.034 0.000 2.259 204 A HA 0.257 4.577 4.320 -0.000 0.000 0.278 204 A C 1.472 179.081 177.584 0.041 0.000 1.107 204 A CA -0.357 51.700 52.037 0.033 0.000 0.828 204 A CB 0.068 19.087 19.000 0.033 0.000 1.111 204 A HN 0.489 nan 8.150 nan 0.000 0.498 205 R N -0.957 119.564 120.500 0.035 0.000 2.193 205 R HA 0.063 4.403 4.340 -0.000 0.000 0.213 205 R C 0.756 177.088 176.300 0.053 0.000 1.055 205 R CA 0.941 57.065 56.100 0.040 0.000 0.995 205 R CB 0.074 30.390 30.300 0.028 0.000 0.893 205 R HN 0.631 nan 8.270 nan 0.000 0.459 206 R N -1.074 119.456 120.500 0.050 0.000 2.808 206 R HA 0.104 4.444 4.340 -0.000 0.000 0.272 206 R C 0.802 177.135 176.300 0.055 0.000 0.995 206 R CA -0.102 56.031 56.100 0.054 0.000 0.917 206 R CB 1.583 31.908 30.300 0.043 0.000 1.217 206 R HN -0.004 nan 8.270 nan 0.000 0.471 207 S N -0.135 115.598 115.700 0.055 0.000 2.447 207 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 207 S C 1.040 175.666 174.600 0.042 0.000 1.006 207 S CA 1.504 59.738 58.200 0.056 0.000 0.957 207 S CB -0.046 63.183 63.200 0.047 0.000 0.773 207 S HN 0.762 nan 8.310 nan 0.000 0.507 208 D N 2.102 122.521 120.400 0.032 0.000 2.349 208 D HA -0.004 4.636 4.640 -0.000 0.000 0.215 208 D C 1.260 177.576 176.300 0.028 0.000 1.016 208 D CA 0.173 54.189 54.000 0.026 0.000 0.870 208 D CB -0.447 40.366 40.800 0.021 0.000 0.917 208 D HN 0.785 nan 8.370 nan 0.000 0.524 209 I N -2.413 118.176 120.570 0.031 0.000 3.707 209 I HA 0.320 4.490 4.170 -0.000 0.000 0.330 209 I C -0.413 175.722 176.117 0.030 0.000 1.572 209 I CA -0.781 60.535 61.300 0.028 0.000 1.104 209 I CB 0.184 38.198 38.000 0.025 0.000 1.240 209 I HN -0.360 nan 8.210 nan 0.000 0.475 210 E N 4.301 124.522 120.200 0.035 0.000 2.392 210 E HA 0.216 4.566 4.350 -0.000 0.000 0.264 210 E C -2.020 174.597 176.600 0.029 0.000 1.024 210 E CA -1.336 55.085 56.400 0.034 0.000 0.903 210 E CB 0.234 29.958 29.700 0.041 0.000 0.963 210 E HN 0.268 nan 8.360 nan 0.000 0.432 211 P HA 0.090 nan 4.420 nan 0.000 0.269 211 P C -0.834 176.480 177.300 0.023 0.000 1.215 211 P CA -0.193 62.922 63.100 0.025 0.000 0.780 211 P CB 0.642 32.357 31.700 0.025 0.000 0.898 212 A N 2.250 125.085 122.820 0.025 0.000 2.302 212 A HA 0.571 4.890 4.320 -0.000 0.000 0.285 212 A C -0.105 177.492 177.584 0.022 0.000 1.105 212 A CA -0.471 51.581 52.037 0.024 0.000 0.816 212 A CB 0.474 19.489 19.000 0.025 0.000 1.067 212 A HN 0.365 nan 8.150 nan 0.000 0.489 213 V N 0.106 120.030 119.914 0.017 0.000 2.864 213 V HA 0.958 5.078 4.120 -0.000 0.000 0.314 213 V C 0.560 176.667 176.094 0.021 0.000 1.073 213 V CA 0.078 62.387 62.300 0.015 0.000 0.956 213 V CB 1.387 33.205 31.823 -0.009 0.000 1.023 213 V HN 1.600 nan 8.190 nan 0.000 0.435 214 G N 1.227 110.044 108.800 0.028 0.000 2.489 214 G HA2 0.542 4.502 3.960 -0.000 0.000 0.305 214 G HA3 0.542 4.502 3.960 -0.000 0.000 0.305 214 G C -2.753 172.168 174.900 0.034 0.000 1.311 214 G CA -0.214 44.903 45.100 0.028 0.000 0.813 214 G HN 0.417 nan 8.290 nan 0.000 0.480 215 P HA -0.053 nan 4.420 nan 0.000 0.225 215 P C 0.679 177.996 177.300 0.028 0.000 1.148 215 P CA 1.045 64.162 63.100 0.029 0.000 0.779 215 P CB 0.096 31.808 31.700 0.020 0.000 0.780 216 N N -1.532 117.185 118.700 0.028 0.000 2.236 216 N HA 0.033 4.773 4.740 -0.000 0.000 0.196 216 N C -0.039 175.493 175.510 0.037 0.000 1.114 216 N CA 0.011 53.074 53.050 0.021 0.000 0.859 216 N CB -0.078 38.418 38.487 0.015 0.000 0.982 216 N HN -0.010 nan 8.380 nan 0.000 0.493 217 T N 1.731 116.322 114.554 0.062 0.000 2.916 217 T HA 0.150 4.500 4.350 -0.000 0.000 0.303 217 T C 0.318 175.096 174.700 0.130 0.000 1.025 217 T CA 0.102 62.260 62.100 0.098 0.000 1.142 217 T CB 0.745 69.673 68.868 0.100 0.000 0.947 217 T HN 0.024 nan 8.240 nan 0.000 0.544 218 R N 1.899 122.487 120.500 0.147 0.000 2.637 218 R HA 0.616 4.956 4.340 -0.000 0.000 0.291 218 R C -0.788 175.655 176.300 0.238 0.000 0.963 218 R CA -0.712 55.468 56.100 0.134 0.000 0.901 218 R CB 1.631 31.959 30.300 0.046 0.000 1.160 218 R HN 0.720 nan 8.270 nan 0.000 0.457 219 F N -0.014 119.938 119.950 0.004 0.000 2.599 219 F HA 0.739 5.266 4.527 -0.000 0.000 0.311 219 F C -1.014 174.764 175.800 -0.036 0.000 1.076 219 F CA -1.429 56.572 58.000 0.002 0.000 0.937 219 F CB 1.369 40.378 39.000 0.015 0.000 1.282 219 F HN 0.427 nan 8.300 nan 0.000 0.460 220 I N 3.615 124.201 120.570 0.026 0.000 2.533 220 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 220 I C -1.643 174.576 176.117 0.171 0.000 1.056 220 I CA -0.940 60.285 61.300 -0.125 0.000 1.057 220 I CB 1.848 39.616 38.000 -0.387 0.000 1.240 220 I HN 0.738 nan 8.210 nan 0.000 0.423 221 L N 7.407 128.732 121.223 0.170 0.000 2.305 221 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 221 L C 1.101 178.276 176.870 0.509 0.000 1.085 221 L CA -0.156 54.883 54.840 0.331 0.000 0.813 221 L CB 1.495 43.764 42.059 0.349 0.000 1.157 221 L HN 0.813 nan 8.230 nan 0.000 0.436 222 A N 2.605 125.635 122.820 0.350 0.000 2.147 222 A HA 0.140 4.460 4.320 -0.000 0.000 0.211 222 A C 0.669 178.272 177.584 0.033 0.000 1.160 222 A CA 0.383 52.484 52.037 0.108 0.000 0.781 222 A CB 0.247 19.148 19.000 -0.166 0.000 0.842 222 A HN 0.689 nan 8.150 nan 0.000 0.475 223 Q N -0.584 119.164 119.800 -0.086 0.000 2.353 223 Q HA 0.287 4.627 4.340 -0.000 0.000 0.268 223 Q C -2.306 173.181 176.000 -0.855 0.000 1.045 223 Q CA -2.125 53.295 55.803 -0.637 0.000 0.811 223 Q CB 2.190 30.245 28.738 -1.139 0.000 1.305 223 Q HN 0.117 nan 8.270 nan 0.000 0.447 224 P HA -0.087 nan 4.420 nan 0.000 0.226 224 P C 0.523 177.656 177.300 -0.279 0.000 1.153 224 P CA 0.995 63.525 63.100 -0.950 0.000 0.777 224 P CB -0.083 31.128 31.700 -0.815 0.000 0.794 225 F N -1.850 118.056 119.950 -0.073 0.000 2.777 225 F HA 0.394 4.921 4.527 -0.000 0.000 0.291 225 F C 0.624 176.457 175.800 0.056 0.000 1.187 225 F CA -0.568 57.454 58.000 0.037 0.000 1.406 225 F CB -0.964 38.047 39.000 0.018 0.000 0.982 225 F HN -0.310 nan 8.300 nan 0.000 0.509 226 L N 1.212 122.492 121.223 0.094 0.000 3.096 226 L HA 0.414 4.754 4.340 -0.000 0.000 0.247 226 L C 1.770 178.694 176.870 0.089 0.000 1.321 226 L CA -0.347 54.556 54.840 0.105 0.000 1.044 226 L CB 0.382 42.469 42.059 0.048 0.000 1.434 226 L HN 0.507 nan 8.230 nan 0.000 0.533 227 G N -0.293 108.581 108.800 0.124 0.000 2.414 227 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 227 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 227 G C 1.321 176.302 174.900 0.135 0.000 1.188 227 G CA 0.334 45.518 45.100 0.140 0.000 0.783 227 G HN 0.339 nan 8.290 nan 0.000 0.537 228 E N 0.478 120.735 120.200 0.094 0.000 2.110 228 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 228 E C 2.743 179.366 176.600 0.038 0.000 0.988 228 E CA 1.347 57.785 56.400 0.064 0.000 0.804 228 E CB -0.624 29.096 29.700 0.033 0.000 0.745 228 E HN 0.343 nan 8.360 nan 0.000 0.458 229 T N 1.006 115.574 114.554 0.023 0.000 2.708 229 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 229 T C 2.020 176.675 174.700 -0.074 0.000 1.037 229 T CA 1.804 63.886 62.100 -0.030 0.000 1.146 229 T CB -0.450 68.403 68.868 -0.025 0.000 0.865 229 T HN 0.173 nan 8.240 nan 0.000 0.435 230 T N 1.330 115.893 114.554 0.016 0.000 2.635 230 T HA -0.112 4.237 4.350 -0.000 0.000 0.267 230 T C 2.255 177.010 174.700 0.093 0.000 1.040 230 T CA 1.517 63.684 62.100 0.112 0.000 1.156 230 T CB -1.020 67.986 68.868 0.229 0.000 0.863 230 T HN 0.530 nan 8.240 nan 0.000 0.430 231 G N 1.009 109.871 108.800 0.103 0.000 2.469 231 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 231 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 231 G C 1.809 176.736 174.900 0.045 0.000 1.150 231 G CA 1.072 46.231 45.100 0.100 0.000 0.763 231 G HN 0.613 nan 8.290 nan 0.000 0.561 232 A N 0.337 123.158 122.820 0.001 0.000 1.898 232 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 232 A C 2.437 179.980 177.584 -0.068 0.000 1.181 232 A CA 1.210 53.233 52.037 -0.023 0.000 0.620 232 A CB -0.347 18.635 19.000 -0.030 0.000 0.819 232 A HN 0.351 nan 8.150 nan 0.000 0.442 233 L N -0.790 120.329 121.223 -0.173 0.000 2.093 233 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 233 L C 2.524 179.335 176.870 -0.098 0.000 1.085 233 L CA 1.436 56.110 54.840 -0.278 0.000 0.755 233 L CB -0.469 41.099 42.059 -0.818 0.000 0.904 233 L HN 0.441 nan 8.230 nan 0.000 0.435 234 E N -0.136 120.072 120.200 0.013 0.000 2.110 234 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 234 E C 2.295 178.933 176.600 0.063 0.000 0.988 234 E CA 0.805 57.273 56.400 0.113 0.000 0.804 234 E CB -0.017 29.780 29.700 0.162 0.000 0.745 234 E HN 0.334 nan 8.360 nan 0.000 0.458 235 R N 0.336 120.860 120.500 0.039 0.000 2.152 235 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 235 R C 1.714 178.028 176.300 0.024 0.000 1.117 235 R CA 0.779 56.898 56.100 0.033 0.000 0.981 235 R CB 0.117 30.434 30.300 0.029 0.000 0.870 235 R HN -0.015 nan 8.270 nan 0.000 0.451 236 R N -0.757 119.751 120.500 0.013 0.000 2.317 236 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 236 R C 1.031 177.345 176.300 0.024 0.000 0.914 236 R CA 0.787 56.894 56.100 0.012 0.000 1.060 236 R CB 0.837 31.135 30.300 -0.004 0.000 1.015 236 R HN 0.457 nan 8.270 nan 0.000 0.498 237 G N 0.343 109.166 108.800 0.039 0.000 2.194 237 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.236 237 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.236 237 G C 0.387 175.333 174.900 0.078 0.000 0.987 237 G CA 0.071 45.202 45.100 0.051 0.000 0.635 237 G HN 0.563 nan 8.290 nan 0.000 0.520 238 A N -0.206 122.674 122.820 0.099 0.000 2.483 238 A HA 0.641 4.961 4.320 -0.000 0.000 0.238 238 A C 0.360 178.128 177.584 0.307 0.000 1.070 238 A CA 0.915 53.068 52.037 0.192 0.000 0.770 238 A CB 0.395 19.506 19.000 0.186 0.000 1.008 238 A HN 0.409 nan 8.150 nan 0.000 0.497 239 K N 0.571 121.116 120.400 0.242 0.000 2.244 239 K HA 0.411 4.731 4.320 -0.000 0.000 0.260 239 K C -0.018 176.447 176.600 -0.225 0.000 0.951 239 K CA -0.344 55.985 56.287 0.070 0.000 0.826 239 K CB 1.480 33.971 32.500 -0.015 0.000 1.108 239 K HN 0.718 nan 8.250 nan 0.000 0.433 240 R N 3.022 123.221 120.500 -0.501 0.000 2.441 240 R HA 0.367 4.707 4.340 -0.000 0.000 0.284 240 R C -0.545 175.431 176.300 -0.540 0.000 1.070 240 R CA -0.368 55.124 56.100 -1.013 0.000 1.047 240 R CB 0.505 30.268 30.300 -0.895 0.000 1.016 240 R HN 0.580 nan 8.270 nan 0.000 0.477 241 I N 3.698 123.947 120.570 -0.535 0.000 2.304 241 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 241 I C 0.235 176.123 176.117 -0.381 0.000 1.018 241 I CA -0.489 60.584 61.300 -0.378 0.000 1.260 241 I CB 1.668 39.464 38.000 -0.340 0.000 1.390 241 I HN 0.637 nan 8.210 nan 0.000 0.475 242 A N 5.782 128.422 122.820 -0.300 0.000 2.409 242 A HA 0.812 5.132 4.320 -0.000 0.000 0.262 242 A C 0.025 177.430 177.584 -0.298 0.000 1.113 242 A CA -0.095 51.783 52.037 -0.266 0.000 0.790 242 A CB 0.405 19.296 19.000 -0.180 0.000 1.046 242 A HN 0.881 nan 8.150 nan 0.000 0.496 243 A N 3.852 126.467 122.820 -0.341 0.000 2.594 243 A HA 0.796 5.116 4.320 -0.000 0.000 0.296 243 A C -3.140 174.233 177.584 -0.351 0.000 1.061 243 A CA -1.240 50.597 52.037 -0.333 0.000 0.689 243 A CB 1.070 19.787 19.000 -0.473 0.000 1.280 243 A HN 0.617 nan 8.150 nan 0.000 0.406 244 P HA 0.445 nan 4.420 nan 0.000 0.273 244 P C -0.699 176.496 177.300 -0.175 0.000 1.250 244 P CA -0.010 63.006 63.100 -0.140 0.000 0.793 244 P CB 0.273 31.968 31.700 -0.008 0.000 1.011 245 F N 0.778 120.765 119.950 0.063 0.000 2.399 245 F HA 0.231 4.758 4.527 -0.000 0.000 0.342 245 F C -1.173 174.402 175.800 -0.375 0.000 1.106 245 F CA -1.968 55.979 58.000 -0.088 0.000 1.196 245 F CB 0.213 39.194 39.000 -0.032 0.000 1.163 245 F HN 0.187 nan 8.300 nan 0.000 0.547 246 P HA 0.033 nan 4.420 nan 0.000 0.235 246 P C -0.994 175.695 177.300 -1.019 0.000 1.765 246 P CA 0.525 63.023 63.100 -1.003 0.000 1.034 246 P CB -0.775 29.780 31.700 -1.908 0.000 1.984 247 F N 1.159 120.886 119.950 -0.371 0.000 2.458 247 F HA 0.600 5.127 4.527 -0.000 0.000 0.336 247 F C 1.417 176.957 175.800 -0.433 0.000 1.114 247 F CA -0.065 57.649 58.000 -0.478 0.000 0.987 247 F CB 1.856 40.587 39.000 -0.447 0.000 1.130 247 F HN 0.340 nan 8.300 nan 0.000 0.458 248 G N 2.538 111.101 108.800 -0.396 0.000 2.855 248 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.352 248 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.352 248 G C 0.695 175.642 174.900 0.080 0.000 1.415 248 G CA 0.025 45.047 45.100 -0.130 0.000 0.871 248 G HN 0.683 nan 8.290 nan 0.000 0.543 249 E N 0.038 120.387 120.200 0.248 0.000 2.058 249 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 249 E C 2.158 178.909 176.600 0.251 0.000 0.997 249 E CA 2.268 58.852 56.400 0.307 0.000 0.801 249 E CB -0.216 29.633 29.700 0.248 0.000 0.746 249 E HN 0.714 nan 8.360 nan 0.000 0.450 250 E N -0.610 119.701 120.200 0.185 0.000 2.015 250 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 250 E C 2.121 178.775 176.600 0.090 0.000 0.991 250 E CA 1.215 57.694 56.400 0.131 0.000 0.802 250 E CB -0.517 29.240 29.700 0.094 0.000 0.759 250 E HN 0.304 nan 8.360 nan 0.000 0.447 251 G N -0.007 108.832 108.800 0.065 0.000 2.476 251 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 251 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 251 G C 1.650 176.489 174.900 -0.102 0.000 1.164 251 G CA 1.533 46.633 45.100 -0.001 0.000 0.768 251 G HN 0.319 nan 8.290 nan 0.000 0.560 252 T N 1.011 115.413 114.554 -0.254 0.000 2.652 252 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 252 T C 2.622 177.236 174.700 -0.144 0.000 1.039 252 T CA 1.925 63.727 62.100 -0.497 0.000 1.153 252 T CB -0.750 67.562 68.868 -0.927 0.000 0.863 252 T HN 0.314 nan 8.240 nan 0.000 0.428 253 T N 2.431 117.030 114.554 0.075 0.000 2.635 253 T HA -0.088 4.261 4.350 -0.000 0.000 0.267 253 T C 1.883 176.774 174.700 0.318 0.000 1.040 253 T CA 0.932 63.238 62.100 0.343 0.000 1.156 253 T CB -0.485 68.607 68.868 0.374 0.000 0.863 253 T HN 0.037 nan 8.240 nan 0.000 0.430 254 L N -0.554 120.765 121.223 0.160 0.000 2.046 254 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 254 L C 2.058 178.962 176.870 0.057 0.000 1.077 254 L CA 1.276 56.159 54.840 0.071 0.000 0.747 254 L CB -1.242 40.833 42.059 0.026 0.000 0.896 254 L HN 0.440 nan 8.230 nan 0.000 0.432 255 W N 0.047 121.266 121.300 -0.135 0.000 2.332 255 W HA -0.245 4.415 4.660 -0.000 0.000 0.321 255 W C 2.493 178.970 176.519 -0.070 0.000 1.219 255 W CA 1.758 58.992 57.345 -0.186 0.000 1.277 255 W CB -0.310 28.957 29.460 -0.323 0.000 1.161 255 W HN 0.034 nan 8.180 nan 0.000 0.476 256 L N 0.592 122.041 121.223 0.377 0.000 2.079 256 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 256 L C 2.452 179.503 176.870 0.301 0.000 1.081 256 L CA 1.791 56.868 54.840 0.396 0.000 0.752 256 L CB -0.937 41.433 42.059 0.518 0.000 0.896 256 L HN -0.028 nan 8.230 nan 0.000 0.433 257 K N 0.501 120.987 120.400 0.144 0.000 2.057 257 K HA -0.127 4.192 4.320 -0.000 0.000 0.207 257 K C 2.035 178.476 176.600 -0.267 0.000 1.049 257 K CA 1.503 57.568 56.287 -0.370 0.000 0.931 257 K CB -0.328 31.910 32.500 -0.437 0.000 0.714 257 K HN 0.220 nan 8.250 nan 0.000 0.440 258 A N 0.024 122.713 122.820 -0.218 0.000 1.940 258 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 258 A C 2.259 179.711 177.584 -0.219 0.000 1.176 258 A CA 1.921 53.811 52.037 -0.245 0.000 0.631 258 A CB -0.692 18.122 19.000 -0.310 0.000 0.814 258 A HN 0.140 nan 8.150 nan 0.000 0.446 259 V N -0.488 119.292 119.914 -0.224 0.000 2.379 259 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 259 V C 2.986 179.108 176.094 0.047 0.000 1.044 259 V CA 1.695 63.924 62.300 -0.117 0.000 1.036 259 V CB -1.143 30.553 31.823 -0.211 0.000 0.664 259 V HN 0.590 nan 8.190 nan 0.000 0.453 260 A N -0.167 122.665 122.820 0.021 0.000 1.969 260 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 260 A C 1.956 179.543 177.584 0.005 0.000 1.169 260 A CA 1.824 53.901 52.037 0.066 0.000 0.635 260 A CB -0.516 18.561 19.000 0.128 0.000 0.810 260 A HN 0.510 nan 8.150 nan 0.000 0.445 261 D N 0.114 120.461 120.400 -0.089 0.000 2.144 261 D HA -0.014 4.626 4.640 -0.000 0.000 0.200 261 D C 2.175 178.429 176.300 -0.076 0.000 0.978 261 D CA 1.431 55.370 54.000 -0.102 0.000 0.833 261 D CB -0.333 40.377 40.800 -0.150 0.000 0.961 261 D HN 0.412 nan 8.370 nan 0.000 0.470 262 A N -0.476 122.303 122.820 -0.067 0.000 2.015 262 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 262 A C 1.353 178.800 177.584 -0.229 0.000 1.163 262 A CA 0.901 52.852 52.037 -0.143 0.000 0.646 262 A CB -0.606 18.303 19.000 -0.152 0.000 0.806 262 A HN 0.290 nan 8.150 nan 0.000 0.448 263 Y N -1.062 119.198 120.300 -0.067 0.000 2.524 263 Y HA 0.369 4.919 4.550 -0.000 0.000 0.266 263 Y C 1.720 177.603 175.900 -0.028 0.000 1.180 263 Y CA 0.248 58.324 58.100 -0.041 0.000 1.244 263 Y CB 0.332 38.775 38.460 -0.028 0.000 1.125 263 Y HN 0.420 nan 8.280 nan 0.000 0.524 264 G N 0.153 108.981 108.800 0.048 0.000 2.162 264 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 264 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 264 G C 0.190 175.115 174.900 0.042 0.000 0.976 264 G CA 0.239 45.353 45.100 0.022 0.000 0.655 264 G HN 0.118 nan 8.290 nan 0.000 0.533 265 V N 2.085 122.043 119.914 0.074 0.000 2.720 265 V HA 0.337 4.457 4.120 -0.000 0.000 0.307 265 V C 1.509 177.638 176.094 0.058 0.000 1.071 265 V CA 0.616 62.964 62.300 0.080 0.000 1.199 265 V CB 0.980 32.876 31.823 0.120 0.000 0.900 265 V HN 1.041 nan 8.190 nan 0.000 0.494 266 S N 4.369 120.107 115.700 0.063 0.000 2.593 266 S HA 0.413 4.883 4.470 -0.000 0.000 0.269 266 S C 1.283 175.932 174.600 0.081 0.000 1.334 266 S CA -0.130 58.101 58.200 0.051 0.000 1.015 266 S CB 1.413 64.639 63.200 0.044 0.000 0.912 266 S HN 1.072 nan 8.310 nan 0.000 0.541 267 A N 0.669 123.522 122.820 0.054 0.000 2.019 267 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 267 A C 2.068 179.724 177.584 0.120 0.000 1.164 267 A CA 1.766 53.852 52.037 0.081 0.000 0.644 267 A CB -1.068 17.952 19.000 0.034 0.000 0.805 267 A HN 0.954 nan 8.150 nan 0.000 0.449 268 E N 0.332 120.580 120.200 0.081 0.000 2.077 268 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 268 E C 2.013 178.659 176.600 0.076 0.000 0.989 268 E CA 1.681 58.121 56.400 0.067 0.000 0.800 268 E CB -0.173 29.553 29.700 0.043 0.000 0.746 268 E HN 0.545 nan 8.360 nan 0.000 0.452 269 K N -0.837 119.618 120.400 0.091 0.000 2.025 269 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 269 K C 2.173 178.835 176.600 0.104 0.000 1.049 269 K CA 1.147 57.484 56.287 0.083 0.000 0.933 269 K CB -0.404 32.147 32.500 0.086 0.000 0.714 269 K HN 0.177 nan 8.250 nan 0.000 0.438 270 F N 2.713 122.677 119.950 0.023 0.000 2.065 270 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 270 F C 2.251 178.070 175.800 0.032 0.000 1.112 270 F CA 1.644 59.665 58.000 0.034 0.000 1.212 270 F CB 0.086 39.105 39.000 0.033 0.000 0.975 270 F HN 0.050 nan 8.300 nan 0.000 0.476 271 E N 0.371 120.665 120.200 0.158 0.000 2.153 271 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 271 E C 2.293 178.869 176.600 -0.040 0.000 0.988 271 E CA 1.108 57.540 56.400 0.054 0.000 0.811 271 E CB -0.791 28.965 29.700 0.094 0.000 0.746 271 E HN 0.532 nan 8.360 nan 0.000 0.466 272 A N 0.853 123.657 122.820 -0.027 0.000 1.874 272 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 272 A C 2.591 180.131 177.584 -0.074 0.000 1.189 272 A CA 0.982 52.995 52.037 -0.040 0.000 0.615 272 A CB -0.624 18.367 19.000 -0.014 0.000 0.830 272 A HN 0.123 nan 8.150 nan 0.000 0.443 273 V N -0.637 119.222 119.914 -0.092 0.000 2.490 273 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 273 V C 2.617 178.617 176.094 -0.157 0.000 1.061 273 V CA 2.446 64.683 62.300 -0.105 0.000 1.064 273 V CB -0.581 31.186 31.823 -0.093 0.000 0.670 273 V HN 0.618 nan 8.190 nan 0.000 0.461 274 T N -1.335 113.070 114.554 -0.249 0.000 3.037 274 T HA 0.201 4.551 4.350 -0.000 0.000 0.251 274 T C 1.847 176.379 174.700 -0.279 0.000 1.079 274 T CA 0.837 62.750 62.100 -0.311 0.000 1.067 274 T CB 0.040 68.574 68.868 -0.557 0.000 0.948 274 T HN 0.505 nan 8.240 nan 0.000 0.496 275 A N 1.617 124.324 122.820 -0.188 0.000 1.859 275 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 275 A C 2.611 180.099 177.584 -0.161 0.000 1.198 275 A CA 2.143 54.096 52.037 -0.140 0.000 0.629 275 A CB -1.350 17.600 19.000 -0.085 0.000 0.830 275 A HN 0.548 nan 8.150 nan 0.000 0.446 276 A N -0.087 122.647 122.820 -0.144 0.000 1.877 276 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 276 A C 0.328 177.801 177.584 -0.184 0.000 1.186 276 A CA 1.877 53.837 52.037 -0.128 0.000 0.620 276 A CB -1.781 17.166 19.000 -0.089 0.000 0.822 276 A HN 0.464 nan 8.150 nan 0.000 0.443 277 P HA -0.138 nan 4.420 nan 0.000 0.216 277 P C 1.596 178.525 177.300 -0.619 0.000 1.150 277 P CA 1.024 63.889 63.100 -0.391 0.000 0.837 277 P CB -0.135 31.301 31.700 -0.439 0.000 0.786 278 R N -0.277 119.809 120.500 -0.691 0.000 2.082 278 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 278 R C 2.273 178.462 176.300 -0.185 0.000 1.136 278 R CA 1.879 57.697 56.100 -0.469 0.000 0.935 278 R CB -1.340 28.793 30.300 -0.279 0.000 0.842 278 R HN 0.141 nan 8.270 nan 0.000 0.430 279 A N 1.224 123.961 122.820 -0.138 0.000 1.908 279 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 279 A C 2.207 179.764 177.584 -0.046 0.000 1.181 279 A CA 1.628 53.625 52.037 -0.066 0.000 0.627 279 A CB -0.566 18.399 19.000 -0.057 0.000 0.818 279 A HN 0.294 nan 8.150 nan 0.000 0.445 280 R N -0.425 120.035 120.500 -0.067 0.000 2.083 280 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 280 R C 2.302 178.608 176.300 0.011 0.000 1.137 280 R CA 1.585 57.667 56.100 -0.030 0.000 0.951 280 R CB -0.430 29.846 30.300 -0.040 0.000 0.851 280 R HN 0.449 nan 8.270 nan 0.000 0.434 281 A N 1.878 124.704 122.820 0.010 0.000 1.902 281 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 281 A C 1.983 179.636 177.584 0.115 0.000 1.181 281 A CA 1.847 53.946 52.037 0.103 0.000 0.623 281 A CB -0.435 18.688 19.000 0.206 0.000 0.818 281 A HN 0.573 nan 8.150 nan 0.000 0.443 282 K N -0.412 120.035 120.400 0.079 0.000 2.432 282 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 282 K C 1.799 178.439 176.600 0.067 0.000 1.038 282 K CA 1.300 57.639 56.287 0.087 0.000 0.986 282 K CB -0.053 32.486 32.500 0.065 0.000 0.782 282 K HN 0.382 nan 8.250 nan 0.000 0.485 283 K N 0.787 121.216 120.400 0.049 0.000 2.098 283 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 283 K C 2.114 178.744 176.600 0.050 0.000 1.051 283 K CA 0.868 57.176 56.287 0.036 0.000 0.957 283 K CB -0.117 32.394 32.500 0.018 0.000 0.738 283 K HN 0.225 nan 8.250 nan 0.000 0.447 284 A N 1.490 124.355 122.820 0.075 0.000 1.902 284 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 284 A C 2.025 179.711 177.584 0.170 0.000 1.181 284 A CA 1.338 53.438 52.037 0.105 0.000 0.623 284 A CB -0.547 18.528 19.000 0.125 0.000 0.818 284 A HN 0.323 nan 8.150 nan 0.000 0.443 285 I N -0.211 120.477 120.570 0.196 0.000 2.315 285 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 285 I C 2.905 179.125 176.117 0.171 0.000 1.117 285 I CA 0.879 62.333 61.300 0.257 0.000 1.404 285 I CB -0.306 37.836 38.000 0.236 0.000 1.071 285 I HN 0.345 nan 8.210 nan 0.000 0.419 286 A N 0.942 123.813 122.820 0.085 0.000 1.940 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 286 A C 2.563 180.140 177.584 -0.011 0.000 1.176 286 A CA 1.874 53.932 52.037 0.035 0.000 0.631 286 A CB -0.819 18.192 19.000 0.019 0.000 0.814 286 A HN 0.440 nan 8.150 nan 0.000 0.446 287 A N -1.109 121.662 122.820 -0.081 0.000 1.986 287 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 287 A C 1.859 179.271 177.584 -0.287 0.000 1.171 287 A CA 1.627 53.531 52.037 -0.223 0.000 0.640 287 A CB -0.809 17.981 19.000 -0.349 0.000 0.811 287 A HN 0.718 nan 8.150 nan 0.000 0.451 288 H N -1.227 117.871 119.070 0.047 0.000 2.539 288 H HA 0.235 4.791 4.556 -0.000 0.000 0.269 288 H C 1.653 176.998 175.328 0.029 0.000 0.980 288 H CA 0.207 56.284 56.048 0.049 0.000 1.152 288 H CB -0.005 29.803 29.762 0.076 0.000 1.407 288 H HN 0.403 nan 8.280 nan 0.000 0.564 289 L N 0.655 121.930 121.223 0.087 0.000 2.275 289 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 289 L C 2.538 179.427 176.870 0.033 0.000 1.119 289 L CA 0.822 55.689 54.840 0.046 0.000 0.790 289 L CB 0.059 42.131 42.059 0.023 0.000 0.919 289 L HN 0.146 nan 8.230 nan 0.000 0.443 290 E N 0.197 120.415 120.200 0.030 0.000 2.028 290 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 290 E C 2.138 178.759 176.600 0.035 0.000 0.988 290 E CA 2.102 58.516 56.400 0.024 0.000 0.799 290 E CB -0.121 29.587 29.700 0.013 0.000 0.755 290 E HN 0.389 nan 8.360 nan 0.000 0.447 291 T N -1.834 112.753 114.554 0.055 0.000 3.081 291 T HA 0.024 4.374 4.350 -0.000 0.000 0.255 291 T C 1.449 176.185 174.700 0.059 0.000 1.113 291 T CA 0.308 62.444 62.100 0.060 0.000 1.082 291 T CB 0.034 68.948 68.868 0.077 0.000 0.939 291 T HN 0.034 nan 8.240 nan 0.000 0.506 292 L N 1.462 122.719 121.223 0.056 0.000 2.316 292 L HA 0.367 4.706 4.340 -0.000 0.000 0.207 292 L C 1.139 178.013 176.870 0.007 0.000 1.070 292 L CA 0.786 55.648 54.840 0.036 0.000 0.820 292 L CB -0.806 41.273 42.059 0.033 0.000 0.992 292 L HN 0.217 nan 8.230 nan 0.000 0.466 293 T N 0.421 114.978 114.554 0.005 0.000 2.871 293 T HA 0.352 4.702 4.350 -0.000 0.000 0.296 293 T C 1.216 175.916 174.700 -0.001 0.000 0.998 293 T CA 0.941 63.038 62.100 -0.005 0.000 1.162 293 T CB 0.257 69.124 68.868 -0.001 0.000 0.947 293 T HN 0.584 nan 8.240 nan 0.000 0.536 294 G N 2.713 111.508 108.800 -0.008 0.000 2.217 294 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 294 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 294 G C 0.167 175.066 174.900 -0.001 0.000 0.990 294 G CA -0.411 44.686 45.100 -0.005 0.000 0.627 294 G HN 0.588 nan 8.290 nan 0.000 0.522 295 K N 2.001 122.403 120.400 0.003 0.000 2.350 295 K HA 0.469 4.789 4.320 -0.000 0.000 0.279 295 K C 0.898 177.504 176.600 0.010 0.000 1.027 295 K CA 0.453 56.750 56.287 0.016 0.000 0.969 295 K CB 1.211 33.729 32.500 0.030 0.000 0.954 295 K HN 0.694 nan 8.250 nan 0.000 0.474 296 S N 2.213 117.927 115.700 0.023 0.000 2.565 296 S HA 0.399 4.869 4.470 -0.000 0.000 0.276 296 S C -0.071 174.560 174.600 0.053 0.000 1.326 296 S CA -0.926 57.290 58.200 0.027 0.000 1.045 296 S CB 0.773 63.993 63.200 0.033 0.000 0.918 296 S HN 0.452 nan 8.310 nan 0.000 0.505 297 L N 3.063 124.311 121.223 0.042 0.000 2.362 297 L HA 0.798 5.138 4.340 -0.000 0.000 0.275 297 L C -1.043 175.893 176.870 0.112 0.000 0.998 297 L CA -0.704 54.173 54.840 0.062 0.000 0.820 297 L CB 1.503 43.545 42.059 -0.029 0.000 1.270 297 L HN 0.867 nan 8.230 nan 0.000 0.415 301 P HA 0.311 nan 4.420 nan 0.000 0.280 301 P C -0.949 176.476 177.300 0.208 0.000 1.244 301 P CA 0.212 63.417 63.100 0.175 0.000 0.784 301 P CB 2.041 33.825 31.700 0.141 0.000 0.913 302 D N 0.906 121.433 120.400 0.212 0.000 2.259 302 D HA -0.035 4.605 4.640 -0.000 0.000 0.301 302 D C 1.138 177.657 176.300 0.367 0.000 1.149 302 D CA 0.688 54.861 54.000 0.288 0.000 1.012 302 D CB 0.362 41.344 40.800 0.304 0.000 1.797 302 D HN 0.463 nan 8.370 nan 0.000 0.513 303 S N -0.577 115.270 115.700 0.245 0.000 2.728 303 S HA 0.124 4.594 4.470 -0.000 0.000 0.257 303 S C 0.611 175.287 174.600 0.127 0.000 1.060 303 S CA 0.016 58.289 58.200 0.122 0.000 1.126 303 S CB 1.385 64.589 63.200 0.006 0.000 1.099 303 S HN 0.130 nan 8.310 nan 0.000 0.617 304 Q N -0.014 119.878 119.800 0.153 0.000 2.424 304 Q HA -0.137 4.203 4.340 -0.000 0.000 0.234 304 Q C 0.567 176.616 176.000 0.081 0.000 0.748 304 Q CA 1.170 57.065 55.803 0.153 0.000 1.286 304 Q CB -2.233 26.655 28.738 0.250 0.000 1.494 304 Q HN 0.597 nan 8.270 nan 0.000 0.683 305 L N -0.376 120.872 121.223 0.042 0.000 2.529 305 L HA -0.007 4.333 4.340 -0.000 0.000 0.223 305 L C 1.781 178.584 176.870 -0.113 0.000 1.113 305 L CA 0.436 55.235 54.840 -0.070 0.000 0.861 305 L CB 0.018 42.002 42.059 -0.126 0.000 1.012 305 L HN 0.128 nan 8.230 nan 0.000 0.461 306 E N 0.876 121.048 120.200 -0.046 0.000 2.085 306 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 306 E C 2.110 178.666 176.600 -0.072 0.000 0.994 306 E CA 1.398 57.765 56.400 -0.055 0.000 0.801 306 E CB -0.151 29.534 29.700 -0.024 0.000 0.743 306 E HN 0.405 nan 8.360 nan 0.000 0.453 307 I N 0.430 120.975 120.570 -0.041 0.000 2.133 307 I HA -0.171 3.999 4.170 -0.000 0.000 0.238 307 I C -0.841 175.281 176.117 0.007 0.000 1.074 307 I CA 0.926 62.215 61.300 -0.018 0.000 1.342 307 I CB -1.078 36.928 38.000 0.010 0.000 1.053 307 I HN 0.094 nan 8.210 nan 0.000 0.404 308 P HA -0.175 nan 4.420 nan 0.000 0.216 308 P C 1.948 179.243 177.300 -0.008 0.000 1.153 308 P CA 1.543 64.713 63.100 0.116 0.000 0.858 308 P CB -0.009 31.843 31.700 0.252 0.000 0.789 309 L N -1.284 119.820 121.223 -0.200 0.000 2.093 309 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 309 L C 2.452 179.228 176.870 -0.157 0.000 1.085 309 L CA 1.513 56.194 54.840 -0.265 0.000 0.755 309 L CB -1.070 40.784 42.059 -0.342 0.000 0.904 309 L HN -0.036 nan 8.230 nan 0.000 0.435 310 A N -0.172 122.566 122.820 -0.136 0.000 1.930 310 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 310 A C 2.451 179.993 177.584 -0.069 0.000 1.175 310 A CA 1.293 53.253 52.037 -0.129 0.000 0.627 310 A CB -0.518 18.418 19.000 -0.106 0.000 0.815 310 A HN 0.269 nan 8.150 nan 0.000 0.443 311 R N -0.786 119.712 120.500 -0.002 0.000 2.073 311 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 311 R C 1.961 178.292 176.300 0.051 0.000 1.134 311 R CA 2.193 58.323 56.100 0.050 0.000 0.952 311 R CB -0.900 29.456 30.300 0.092 0.000 0.850 311 R HN 0.524 nan 8.270 nan 0.000 0.433 312 F N 1.406 121.319 119.950 -0.063 0.000 2.134 312 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 312 F C 2.049 177.788 175.800 -0.101 0.000 1.097 312 F CA 1.417 59.378 58.000 -0.065 0.000 1.264 312 F CB -0.444 38.513 39.000 -0.072 0.000 1.001 312 F HN 0.002 nan 8.300 nan 0.000 0.479 313 L N -0.097 120.864 121.223 -0.437 0.000 2.093 313 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 313 L C 2.765 179.422 176.870 -0.355 0.000 1.085 313 L CA 1.077 55.581 54.840 -0.560 0.000 0.755 313 L CB -1.059 40.717 42.059 -0.471 0.000 0.904 313 L HN 0.294 nan 8.230 nan 0.000 0.435 314 A N 0.152 122.852 122.820 -0.200 0.000 1.840 314 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 314 A C 2.376 179.933 177.584 -0.045 0.000 1.198 314 A CA 1.197 53.185 52.037 -0.082 0.000 0.608 314 A CB -0.397 18.608 19.000 0.007 0.000 0.839 314 A HN 0.261 nan 8.150 nan 0.000 0.443 315 R N -0.472 120.006 120.500 -0.036 0.000 2.092 315 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 315 R C 1.756 177.991 176.300 -0.109 0.000 1.119 315 R CA 1.556 57.629 56.100 -0.045 0.000 0.970 315 R CB -0.135 30.108 30.300 -0.096 0.000 0.864 315 R HN 0.642 nan 8.270 nan 0.000 0.440 316 E N -1.306 118.761 120.200 -0.222 0.000 2.431 316 E HA 0.038 4.388 4.350 -0.000 0.000 0.200 316 E C 0.901 177.337 176.600 -0.273 0.000 0.995 316 E CA 0.135 56.397 56.400 -0.230 0.000 0.915 316 E CB 0.712 30.286 29.700 -0.210 0.000 0.930 316 E HN 0.237 nan 8.360 nan 0.000 0.496 317 C N 0.593 119.679 119.300 -0.358 0.000 3.336 317 C HA 0.439 4.899 4.460 -0.000 0.000 0.291 317 C C 1.093 176.001 174.990 -0.137 0.000 1.363 317 C CA -0.063 58.803 59.018 -0.252 0.000 1.737 317 C CB -0.478 27.052 27.740 -0.351 0.000 2.274 317 C HN 0.571 nan 8.230 nan 0.000 0.663 321 T N -1.250 113.267 114.554 -0.063 0.000 2.922 321 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 321 T C 0.777 175.440 174.700 -0.062 0.000 1.005 321 T CA -0.035 62.023 62.100 -0.070 0.000 1.061 321 T CB 1.552 70.368 68.868 -0.085 0.000 1.007 321 T HN 0.703 nan 8.240 nan 0.000 0.502 322 T N -0.695 113.818 114.554 -0.069 0.000 2.614 322 T HA 0.382 4.732 4.350 -0.000 0.000 0.163 322 T C 0.024 174.632 174.700 -0.153 0.000 0.806 322 T CA -0.478 61.588 62.100 -0.056 0.000 1.020 322 T CB -0.313 68.586 68.868 0.051 0.000 2.539 322 T HN 0.742 nan 8.240 nan 0.000 0.380 323 E N 0.843 120.860 120.200 -0.304 0.000 2.174 323 E HA 0.451 4.801 4.350 -0.000 0.000 0.282 323 E C -1.189 174.990 176.600 -0.701 0.000 0.992 323 E CA -0.751 55.325 56.400 -0.539 0.000 0.803 323 E CB 0.537 29.829 29.700 -0.680 0.000 1.090 323 E HN 0.370 nan 8.360 nan 0.000 0.396 324 I N 3.862 124.178 120.570 -0.423 0.000 2.382 324 I HA 0.382 4.552 4.170 -0.000 0.000 0.285 324 I C -0.100 175.859 176.117 -0.262 0.000 1.007 324 I CA -0.580 60.522 61.300 -0.330 0.000 1.142 324 I CB 0.611 38.495 38.000 -0.193 0.000 1.289 324 I HN 0.496 nan 8.210 nan 0.000 0.453 325 A N 4.461 127.122 122.820 -0.266 0.000 2.325 325 A HA 0.858 5.178 4.320 -0.000 0.000 0.333 325 A C -0.100 177.455 177.584 -0.048 0.000 1.155 325 A CA -0.518 51.428 52.037 -0.151 0.000 0.814 325 A CB 1.646 20.548 19.000 -0.163 0.000 1.206 325 A HN 0.627 nan 8.150 nan 0.000 0.482 326 T N 1.053 115.604 114.554 -0.004 0.000 2.916 326 T HA 0.588 4.938 4.350 -0.000 0.000 0.305 326 T C -2.399 172.358 174.700 0.095 0.000 1.119 326 T CA -1.483 60.648 62.100 0.051 0.000 1.008 326 T CB 1.734 70.623 68.868 0.035 0.000 1.129 326 T HN 0.246 nan 8.240 nan 0.000 0.480 327 P HA 0.160 nan 4.420 nan 0.000 0.218 327 P C -0.398 177.063 177.300 0.268 0.000 1.149 327 P CA 0.691 63.905 63.100 0.190 0.000 0.817 327 P CB 0.091 31.917 31.700 0.210 0.000 0.785 328 F N -0.558 119.446 119.950 0.090 0.000 2.615 328 F HA 0.516 5.043 4.527 -0.000 0.000 0.312 328 F C -1.990 173.870 175.800 0.101 0.000 1.119 328 F CA -1.527 56.529 58.000 0.093 0.000 0.979 328 F CB 1.482 40.550 39.000 0.112 0.000 1.266 328 F HN -0.400 nan 8.300 nan 0.000 0.444 329 L N 6.878 127.642 121.223 -0.765 0.000 2.353 329 L HA 0.384 4.724 4.340 -0.000 0.000 0.270 329 L C -1.325 175.129 176.870 -0.694 0.000 1.003 329 L CA -0.391 54.147 54.840 -0.502 0.000 0.862 329 L CB 0.244 42.158 42.059 -0.241 0.000 1.221 329 L HN 0.726 nan 8.230 nan 0.000 0.430 330 H N 4.476 123.260 119.070 -0.476 0.000 3.015 330 H HA 0.136 4.692 4.556 -0.000 0.000 0.268 330 H C 0.615 175.908 175.328 -0.059 0.000 1.113 330 H CA 0.462 56.419 56.048 -0.152 0.000 1.479 330 H CB 1.006 30.878 29.762 0.182 0.000 1.493 330 H HN 0.708 nan 8.280 nan 0.000 0.486 331 K N 3.313 123.654 120.400 -0.098 0.000 2.057 331 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 331 K C 1.963 178.618 176.600 0.092 0.000 1.049 331 K CA 1.283 57.559 56.287 -0.017 0.000 0.931 331 K CB 0.236 32.693 32.500 -0.072 0.000 0.714 331 K HN 0.566 nan 8.250 nan 0.000 0.440 332 A N 1.578 124.512 122.820 0.189 0.000 1.854 332 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 332 A C 1.437 179.144 177.584 0.205 0.000 1.192 332 A CA 0.570 52.726 52.037 0.199 0.000 0.611 332 A CB -0.396 18.735 19.000 0.219 0.000 0.832 332 A HN 0.101 nan 8.150 nan 0.000 0.442 336 P HA -0.107 nan 4.420 nan 0.000 0.215 336 P C 0.596 177.915 177.300 0.031 0.000 1.153 336 P CA 1.688 64.786 63.100 -0.004 0.000 0.853 336 P CB -0.044 31.623 31.700 -0.055 0.000 0.788 337 D N -0.856 119.589 120.400 0.076 0.000 2.123 337 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 337 D C 2.088 178.437 176.300 0.082 0.000 0.976 337 D CA 0.913 54.977 54.000 0.107 0.000 0.831 337 D CB -0.443 40.471 40.800 0.189 0.000 0.974 337 D HN 0.152 nan 8.370 nan 0.000 0.469 338 L N 1.058 122.323 121.223 0.070 0.000 2.042 338 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 338 L C 2.522 179.421 176.870 0.049 0.000 1.076 338 L CA 1.113 55.983 54.840 0.049 0.000 0.749 338 L CB -0.393 41.686 42.059 0.034 0.000 0.893 338 L HN -0.028 nan 8.230 nan 0.000 0.432 339 A N -0.668 122.178 122.820 0.043 0.000 2.125 339 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 339 A C 2.122 179.744 177.584 0.063 0.000 1.156 339 A CA 1.234 53.297 52.037 0.042 0.000 0.671 339 A CB -0.359 18.654 19.000 0.021 0.000 0.794 339 A HN 0.444 nan 8.150 nan 0.000 0.459 340 L N -1.208 120.056 121.223 0.069 0.000 2.470 340 L HA 0.254 4.594 4.340 -0.000 0.000 0.219 340 L C 0.645 177.620 176.870 0.176 0.000 1.071 340 L CA -0.305 54.579 54.840 0.075 0.000 0.850 340 L CB -0.081 41.992 42.059 0.024 0.000 1.040 340 L HN 0.226 nan 8.230 nan 0.000 0.475 341 L N 2.598 123.906 121.223 0.142 0.000 2.543 341 L HA 0.031 4.371 4.340 -0.000 0.000 0.285 341 L C -1.802 175.173 176.870 0.174 0.000 1.236 341 L CA -1.278 53.645 54.840 0.138 0.000 0.871 341 L CB 0.314 42.407 42.059 0.057 0.000 1.121 341 L HN -0.146 nan 8.230 nan 0.000 0.501 342 P HA 0.028 nan 4.420 nan 0.000 0.268 342 P C 0.084 177.307 177.300 -0.128 0.000 1.205 342 P CA -0.103 62.900 63.100 -0.162 0.000 0.771 342 P CB 0.801 32.357 31.700 -0.239 0.000 0.858 343 S N 1.785 117.384 115.700 -0.168 0.000 2.442 343 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 343 S C 1.592 176.137 174.600 -0.092 0.000 1.007 343 S CA 1.087 59.226 58.200 -0.102 0.000 0.965 343 S CB -0.743 62.396 63.200 -0.102 0.000 0.773 343 S HN 0.665 nan 8.310 nan 0.000 0.504 344 N N 1.386 120.019 118.700 -0.113 0.000 2.457 344 N HA -0.070 4.670 4.740 -0.000 0.000 0.180 344 N C -0.158 175.305 175.510 -0.079 0.000 1.050 344 N CA 0.432 53.428 53.050 -0.090 0.000 0.906 344 N CB -0.753 37.676 38.487 -0.097 0.000 0.968 344 N HN 0.128 nan 8.380 nan 0.000 0.445 345 T N 1.570 116.075 114.554 -0.082 0.000 2.871 345 T HA 0.260 4.610 4.350 -0.000 0.000 0.296 345 T C 0.320 174.971 174.700 -0.082 0.000 0.998 345 T CA -0.057 61.992 62.100 -0.084 0.000 1.162 345 T CB 0.714 69.535 68.868 -0.078 0.000 0.947 345 T HN 0.378 nan 8.240 nan 0.000 0.536 346 A N 4.634 127.397 122.820 -0.096 0.000 2.309 346 A HA 0.602 4.922 4.320 -0.000 0.000 0.290 346 A C -0.049 177.461 177.584 -0.123 0.000 1.206 346 A CA -0.649 51.331 52.037 -0.096 0.000 0.850 346 A CB 0.010 18.956 19.000 -0.091 0.000 1.118 346 A HN 0.838 nan 8.150 nan 0.000 0.523 347 L N 2.196 123.360 121.223 -0.098 0.000 2.325 347 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 347 L C -0.033 176.783 176.870 -0.091 0.000 1.023 347 L CA -0.262 54.517 54.840 -0.100 0.000 0.811 347 L CB 2.270 44.284 42.059 -0.074 0.000 1.249 347 L HN 0.649 nan 8.230 nan 0.000 0.431 348 T N 1.431 115.925 114.554 -0.099 0.000 2.937 348 T HA 0.245 4.595 4.350 -0.000 0.000 0.297 348 T C -0.854 173.816 174.700 -0.048 0.000 0.991 348 T CA -0.573 61.484 62.100 -0.072 0.000 0.990 348 T CB 1.730 70.545 68.868 -0.089 0.000 0.991 348 T HN 0.541 nan 8.240 nan 0.000 0.440 349 E N 2.262 122.445 120.200 -0.030 0.000 2.175 349 E HA 0.578 4.928 4.350 -0.000 0.000 0.278 349 E C 0.695 177.312 176.600 0.029 0.000 0.969 349 E CA 0.032 56.428 56.400 -0.007 0.000 0.796 349 E CB 0.802 30.479 29.700 -0.038 0.000 1.104 349 E HN 0.944 nan 8.360 nan 0.000 0.395 350 G N 3.027 111.865 108.800 0.064 0.000 2.527 350 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.227 350 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.227 350 G C -0.661 174.283 174.900 0.074 0.000 1.291 350 G CA 0.074 45.223 45.100 0.081 0.000 0.904 350 G HN 0.750 nan 8.290 nan 0.000 0.577 351 Q N -0.639 119.206 119.800 0.074 0.000 2.616 351 Q HA 0.459 4.799 4.340 -0.000 0.000 0.254 351 Q C -2.582 173.464 176.000 0.076 0.000 0.975 351 Q CA -0.310 55.545 55.803 0.086 0.000 0.976 351 Q CB 1.800 30.607 28.738 0.116 0.000 1.594 351 Q HN 0.845 nan 8.270 nan 0.000 0.425 352 D N 4.205 124.653 120.400 0.080 0.000 2.389 352 D HA 0.162 4.802 4.640 -0.000 0.000 0.256 352 D C 0.045 176.398 176.300 0.089 0.000 1.239 352 D CA -0.497 53.544 54.000 0.069 0.000 0.925 352 D CB 1.484 42.317 40.800 0.055 0.000 1.145 352 D HN 0.558 nan 8.370 nan 0.000 0.542 353 L N 3.731 125.006 121.223 0.087 0.000 1.989 353 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 353 L C 1.803 178.738 176.870 0.108 0.000 1.071 353 L CA 1.902 56.808 54.840 0.110 0.000 0.749 353 L CB -0.199 41.894 42.059 0.058 0.000 0.890 353 L HN 0.408 nan 8.230 nan 0.000 0.431 354 E N -0.179 120.063 120.200 0.069 0.000 2.077 354 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 354 E C 2.183 178.827 176.600 0.073 0.000 0.989 354 E CA 1.311 57.747 56.400 0.060 0.000 0.800 354 E CB -0.506 29.218 29.700 0.039 0.000 0.746 354 E HN 0.641 nan 8.360 nan 0.000 0.452 355 A N 1.206 124.070 122.820 0.072 0.000 1.898 355 A HA -0.219 4.100 4.320 -0.000 0.000 0.216 355 A C 2.172 179.813 177.584 0.094 0.000 1.181 355 A CA 1.682 53.761 52.037 0.070 0.000 0.620 355 A CB -0.535 18.499 19.000 0.056 0.000 0.819 355 A HN 0.239 nan 8.150 nan 0.000 0.442 356 Q N -0.585 119.291 119.800 0.126 0.000 2.167 356 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 356 Q C 1.798 177.922 176.000 0.206 0.000 0.970 356 Q CA 1.016 56.919 55.803 0.168 0.000 0.855 356 Q CB -0.183 28.674 28.738 0.199 0.000 0.911 356 Q HN 0.679 nan 8.270 nan 0.000 0.438 357 L N 0.414 121.765 121.223 0.212 0.000 2.291 357 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 357 L C 1.547 178.496 176.870 0.131 0.000 1.120 357 L CA 0.548 55.502 54.840 0.190 0.000 0.799 357 L CB -0.106 42.030 42.059 0.127 0.000 0.925 357 L HN 0.188 nan 8.230 nan 0.000 0.446 358 D N -0.019 120.439 120.400 0.098 0.000 2.123 358 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 358 D C 2.317 178.648 176.300 0.051 0.000 0.976 358 D CA 0.911 54.951 54.000 0.066 0.000 0.831 358 D CB 0.009 40.841 40.800 0.053 0.000 0.974 358 D HN 0.212 nan 8.370 nan 0.000 0.469 359 R N -0.242 120.301 120.500 0.070 0.000 2.081 359 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 359 R C 2.250 178.566 176.300 0.027 0.000 1.131 359 R CA 1.235 57.379 56.100 0.072 0.000 0.960 359 R CB -0.600 29.772 30.300 0.120 0.000 0.856 359 R HN 0.360 nan 8.270 nan 0.000 0.436 360 H N 1.181 120.150 119.070 -0.168 0.000 2.319 360 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 360 H C 2.078 177.203 175.328 -0.338 0.000 1.092 360 H CA 1.793 57.502 56.048 -0.566 0.000 1.302 360 H CB -0.017 29.260 29.762 -0.808 0.000 1.373 360 H HN 0.095 nan 8.280 nan 0.000 0.497 361 E N 0.100 120.158 120.200 -0.238 0.000 2.118 361 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 361 E C 2.295 178.827 176.600 -0.115 0.000 0.992 361 E CA 1.027 57.338 56.400 -0.147 0.000 0.804 361 E CB -0.303 29.416 29.700 0.032 0.000 0.741 361 E HN 0.646 nan 8.360 nan 0.000 0.458 362 A N 0.557 123.329 122.820 -0.080 0.000 1.968 362 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 362 A C 2.178 179.727 177.584 -0.058 0.000 1.169 362 A CA 0.769 52.780 52.037 -0.043 0.000 0.638 362 A CB -0.360 18.632 19.000 -0.013 0.000 0.812 362 A HN 0.209 nan 8.150 nan 0.000 0.446 363 I N -1.135 119.375 120.570 -0.100 0.000 2.500 363 I HA -0.132 4.038 4.170 -0.000 0.000 0.252 363 I C 0.769 176.826 176.117 -0.100 0.000 1.142 363 I CA 0.685 61.942 61.300 -0.072 0.000 1.451 363 I CB -0.336 37.659 38.000 -0.009 0.000 1.093 363 I HN 0.466 nan 8.210 nan 0.000 0.430 364 N N 0.999 119.580 118.700 -0.199 0.000 2.642 364 N HA -0.122 4.618 4.740 -0.000 0.000 0.269 364 N C -2.355 173.119 175.510 -0.061 0.000 1.073 364 N CA 0.004 52.990 53.050 -0.106 0.000 0.748 364 N CB -0.499 37.986 38.487 -0.002 0.000 0.894 364 N HN 0.201 nan 8.380 nan 0.000 0.548 365 P HA 0.247 nan 4.420 nan 0.000 0.281 365 P C 0.066 177.419 177.300 0.088 0.000 1.249 365 P CA -0.307 62.802 63.100 0.015 0.000 0.810 365 P CB 0.869 32.615 31.700 0.077 0.000 1.008 366 D N 0.263 120.719 120.400 0.093 0.000 2.097 366 D HA -0.047 4.592 4.640 -0.000 0.000 0.197 366 D C 0.511 176.894 176.300 0.139 0.000 0.984 366 D CA 1.590 55.653 54.000 0.104 0.000 0.826 366 D CB 0.001 40.846 40.800 0.075 0.000 0.973 366 D HN 0.166 nan 8.370 nan 0.000 0.460 367 L N 0.220 121.534 121.223 0.152 0.000 2.385 367 L HA 0.340 4.679 4.340 -0.000 0.000 0.273 367 L C -1.059 175.954 176.870 0.238 0.000 0.990 367 L CA -0.225 54.727 54.840 0.187 0.000 0.821 367 L CB 2.409 44.577 42.059 0.180 0.000 1.279 367 L HN -0.307 nan 8.230 nan 0.000 0.412 368 T N 4.138 118.852 114.554 0.266 0.000 2.786 368 T HA 0.537 4.887 4.350 -0.000 0.000 0.283 368 T C -0.640 174.245 174.700 0.308 0.000 0.992 368 T CA -0.389 61.911 62.100 0.332 0.000 0.954 368 T CB 1.401 70.454 68.868 0.310 0.000 0.934 368 T HN 0.311 nan 8.240 nan 0.000 0.440 369 V N 4.248 124.370 119.914 0.347 0.000 2.406 369 V HA 0.585 4.704 4.120 -0.000 0.000 0.272 369 V C 0.552 176.857 176.094 0.352 0.000 1.043 369 V CA -0.538 61.940 62.300 0.297 0.000 0.915 369 V CB 0.030 32.024 31.823 0.285 0.000 0.988 369 V HN 1.213 nan 8.190 nan 0.000 0.466 370 C N 2.501 121.942 119.300 0.235 0.000 3.321 370 C HA 0.877 5.337 4.460 -0.000 0.000 0.329 370 C C 0.476 175.520 174.990 0.090 0.000 1.394 370 C CA -0.547 58.552 59.018 0.135 0.000 1.291 370 C CB 1.079 28.742 27.740 -0.129 0.000 1.606 370 C HN 1.049 nan 8.230 nan 0.000 0.463 371 G N 0.662 109.469 108.800 0.012 0.000 2.544 371 G HA2 0.430 4.390 3.960 -0.000 0.000 0.242 371 G HA3 0.430 4.390 3.960 -0.000 0.000 0.242 371 G C 0.575 175.496 174.900 0.035 0.000 1.247 371 G CA -0.428 44.706 45.100 0.057 0.000 0.840 371 G HN 0.873 nan 8.290 nan 0.000 0.578 372 L N 2.269 123.554 121.223 0.104 0.000 2.189 372 L HA -0.093 4.247 4.340 -0.000 0.000 0.214 372 L C 2.888 179.723 176.870 -0.058 0.000 1.097 372 L CA 2.041 56.888 54.840 0.013 0.000 0.764 372 L CB -1.334 40.716 42.059 -0.016 0.000 0.900 372 L HN 0.706 nan 8.230 nan 0.000 0.436 373 G N -1.859 106.887 108.800 -0.090 0.000 2.484 373 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 373 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 373 G C 1.536 176.350 174.900 -0.143 0.000 1.130 373 G CA 0.122 45.147 45.100 -0.125 0.000 0.784 373 G HN 0.266 nan 8.290 nan 0.000 0.543 374 L N 0.475 121.592 121.223 -0.177 0.000 2.357 374 L HA 0.437 4.777 4.340 -0.000 0.000 0.211 374 L C 2.976 179.750 176.870 -0.161 0.000 1.075 374 L CA 0.908 55.607 54.840 -0.235 0.000 0.830 374 L CB -0.706 41.093 42.059 -0.434 0.000 0.996 374 L HN 0.220 nan 8.230 nan 0.000 0.467 375 A N 0.134 122.895 122.820 -0.099 0.000 1.841 375 A HA -0.271 4.048 4.320 -0.000 0.000 0.216 375 A C 2.124 179.696 177.584 -0.021 0.000 1.199 375 A CA 2.307 54.323 52.037 -0.035 0.000 0.621 375 A CB -0.940 18.073 19.000 0.021 0.000 0.835 375 A HN 0.535 nan 8.150 nan 0.000 0.445 376 N N -0.120 118.560 118.700 -0.034 0.000 2.069 376 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 376 N C -1.016 174.484 175.510 -0.018 0.000 1.031 376 N CA 1.660 54.695 53.050 -0.025 0.000 0.852 376 N CB -0.764 37.699 38.487 -0.039 0.000 1.018 376 N HN 0.344 nan 8.380 nan 0.000 0.423 377 P HA -0.125 nan 4.420 nan 0.000 0.218 377 P C 1.072 178.376 177.300 0.007 0.000 1.148 377 P CA 0.845 63.931 63.100 -0.024 0.000 0.822 377 P CB 0.127 31.798 31.700 -0.049 0.000 0.784 378 L N -0.461 120.768 121.223 0.009 0.000 2.109 378 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 378 L C 2.269 179.222 176.870 0.140 0.000 1.086 378 L CA 1.748 56.648 54.840 0.100 0.000 0.760 378 L CB -1.572 40.505 42.059 0.029 0.000 0.910 378 L HN -0.045 nan 8.230 nan 0.000 0.437 379 E N -0.184 120.062 120.200 0.076 0.000 2.058 379 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 379 E C 2.231 178.847 176.600 0.026 0.000 0.997 379 E CA 1.433 57.868 56.400 0.058 0.000 0.801 379 E CB -0.264 29.458 29.700 0.037 0.000 0.746 379 E HN 0.427 nan 8.360 nan 0.000 0.450 380 A N 1.049 123.879 122.820 0.017 0.000 2.024 380 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 380 A C 1.955 179.533 177.584 -0.009 0.000 1.164 380 A CA 1.404 53.442 52.037 0.001 0.000 0.643 380 A CB -0.271 18.729 19.000 -0.000 0.000 0.806 380 A HN 0.067 nan 8.150 nan 0.000 0.451 381 K N -1.556 118.846 120.400 0.004 0.000 2.417 381 K HA 0.256 4.576 4.320 -0.000 0.000 0.196 381 K C 0.850 177.332 176.600 -0.197 0.000 1.023 381 K CA 0.463 56.727 56.287 -0.038 0.000 1.122 381 K CB -0.048 32.488 32.500 0.060 0.000 0.850 381 K HN 0.635 nan 8.250 nan 0.000 0.521 382 G N 1.197 109.910 108.800 -0.144 0.000 2.141 382 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.242 382 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.242 382 G C -0.607 174.164 174.900 -0.215 0.000 0.982 382 G CA -0.220 44.771 45.100 -0.183 0.000 0.662 382 G HN 0.497 nan 8.290 nan 0.000 0.527 383 H N 0.572 119.677 119.070 0.060 0.000 2.488 383 H HA 0.634 5.190 4.556 -0.000 0.000 0.322 383 H C 0.724 176.104 175.328 0.086 0.000 1.078 383 H CA 0.018 56.119 56.048 0.088 0.000 1.260 383 H CB 1.568 31.431 29.762 0.167 0.000 1.425 383 H HN 0.543 nan 8.280 nan 0.000 0.471 384 A N 3.341 126.281 122.820 0.201 0.000 2.492 384 A HA 0.328 4.648 4.320 -0.000 0.000 0.254 384 A C 0.559 178.251 177.584 0.180 0.000 1.091 384 A CA -0.054 52.076 52.037 0.155 0.000 0.768 384 A CB -0.246 18.831 19.000 0.129 0.000 1.028 384 A HN 0.792 nan 8.150 nan 0.000 0.498 385 T N 0.182 114.828 114.554 0.154 0.000 2.930 385 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 385 T C -0.637 174.154 174.700 0.151 0.000 1.052 385 T CA -0.933 61.262 62.100 0.158 0.000 1.017 385 T CB 1.763 70.708 68.868 0.129 0.000 1.137 385 T HN 0.535 nan 8.240 nan 0.000 0.511 386 K N 1.974 122.465 120.400 0.152 0.000 2.601 386 K HA 0.203 4.523 4.320 -0.000 0.000 0.249 386 K C -0.924 175.739 176.600 0.104 0.000 0.966 386 K CA -0.737 55.599 56.287 0.082 0.000 0.827 386 K CB 1.234 33.719 32.500 -0.026 0.000 1.178 386 K HN 0.889 nan 8.250 nan 0.000 0.437 387 W N 4.067 125.337 121.300 -0.049 0.000 2.303 387 W HA 0.295 4.955 4.660 -0.000 0.000 0.318 387 W C 0.302 176.785 176.519 -0.059 0.000 1.362 387 W CA -0.299 57.026 57.345 -0.032 0.000 1.234 387 W CB -0.232 29.216 29.460 -0.019 0.000 1.248 387 W HN 0.600 nan 8.180 nan 0.000 0.546 388 A N 4.237 127.091 122.820 0.056 0.000 1.898 388 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 388 A C 1.893 179.373 177.584 -0.173 0.000 1.181 388 A CA 1.607 53.612 52.037 -0.053 0.000 0.620 388 A CB -0.484 18.583 19.000 0.113 0.000 0.819 388 A HN 0.643 nan 8.150 nan 0.000 0.442 389 I N 0.196 120.765 120.570 -0.001 0.000 2.315 389 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 389 I C 2.249 178.077 176.117 -0.481 0.000 1.125 389 I CA 1.782 63.107 61.300 0.041 0.000 1.392 389 I CB -0.468 37.723 38.000 0.318 0.000 1.065 389 I HN 0.494 nan 8.210 nan 0.000 0.424 390 E N 0.937 120.370 120.200 -1.277 0.000 2.160 390 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 390 E C 2.188 178.005 176.600 -1.305 0.000 0.991 390 E CA 1.099 56.380 56.400 -1.866 0.000 0.810 390 E CB -0.115 28.388 29.700 -1.995 0.000 0.742 390 E HN 0.516 nan 8.360 nan 0.000 0.466 391 L N -0.085 120.649 121.223 -0.814 0.000 2.275 391 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 391 L C 2.020 178.622 176.870 -0.446 0.000 1.119 391 L CA 0.311 54.824 54.840 -0.545 0.000 0.790 391 L CB 0.108 41.939 42.059 -0.381 0.000 0.919 391 L HN 0.082 nan 8.230 nan 0.000 0.443 392 V N -1.209 118.415 119.914 -0.483 0.000 3.354 392 V HA -0.110 4.010 4.120 -0.000 0.000 0.258 392 V C 1.693 177.511 176.094 -0.459 0.000 1.159 392 V CA 0.824 62.818 62.300 -0.509 0.000 1.125 392 V CB -0.246 31.144 31.823 -0.722 0.000 0.774 392 V HN 0.487 nan 8.190 nan 0.000 0.464 393 F N -0.314 119.466 119.950 -0.285 0.000 2.694 393 F HA 0.409 4.936 4.527 -0.000 0.000 0.292 393 F C 0.791 176.518 175.800 -0.122 0.000 1.121 393 F CA -0.462 57.427 58.000 -0.185 0.000 1.352 393 F CB -1.206 37.760 39.000 -0.057 0.000 1.107 393 F HN -0.125 nan 8.300 nan 0.000 0.597 394 T N 4.104 118.570 114.554 -0.147 0.000 2.913 394 T HA 0.307 4.657 4.350 -0.000 0.000 0.297 394 T C -2.549 172.127 174.700 -0.040 0.000 1.029 394 T CA -0.936 61.136 62.100 -0.048 0.000 1.104 394 T CB 0.811 69.533 68.868 -0.243 0.000 0.964 394 T HN -0.111 nan 8.240 nan 0.000 0.532 395 P HA 0.180 nan 4.420 nan 0.000 0.271 395 P C 0.458 177.760 177.300 0.003 0.000 1.233 395 P CA -0.163 62.953 63.100 0.027 0.000 0.764 395 P CB 0.431 32.149 31.700 0.030 0.000 0.825 396 V N -0.125 119.809 119.914 0.035 0.000 3.332 396 V HA 0.213 4.333 4.120 -0.000 0.000 0.263 396 V C 0.399 176.465 176.094 -0.047 0.000 1.562 396 V CA 0.107 62.385 62.300 -0.036 0.000 1.040 396 V CB -1.099 30.656 31.823 -0.112 0.000 0.857 396 V HN 0.316 nan 8.190 nan 0.000 0.428 397 H N 0.483 119.531 119.070 -0.037 0.000 2.603 397 H HA 0.644 5.200 4.556 -0.000 0.000 0.370 397 H C -0.277 174.983 175.328 -0.113 0.000 1.225 397 H CA 0.386 56.274 56.048 -0.267 0.000 1.410 397 H CB 0.066 29.640 29.762 -0.313 0.000 1.495 397 H HN 0.220 nan 8.280 nan 0.000 0.602 398 F N -1.982 117.767 119.950 -0.335 0.000 2.183 398 F HA -0.377 4.150 4.527 -0.000 0.000 0.318 398 F C 0.638 176.303 175.800 -0.225 0.000 0.454 398 F CA 0.313 58.086 58.000 -0.379 0.000 0.912 398 F CB -0.966 37.840 39.000 -0.324 0.000 4.135 398 F HN 0.547 nan 8.300 nan 0.000 0.137 399 Y N -0.474 119.914 120.300 0.147 0.000 2.070 399 Y HA -0.184 4.366 4.550 -0.000 0.000 0.280 399 Y C 2.240 178.171 175.900 0.052 0.000 1.148 399 Y CA 1.831 59.972 58.100 0.069 0.000 1.125 399 Y CB -0.765 37.736 38.460 0.068 0.000 0.975 399 Y HN 0.592 nan 8.280 nan 0.000 0.492 400 E N 0.279 120.614 120.200 0.227 0.000 2.267 400 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 400 E C 1.342 177.998 176.600 0.093 0.000 0.998 400 E CA 1.155 57.633 56.400 0.130 0.000 0.830 400 E CB -0.117 29.635 29.700 0.087 0.000 0.751 400 E HN 0.428 nan 8.360 nan 0.000 0.491 401 Q N -1.574 118.275 119.800 0.081 0.000 2.247 401 Q HA 0.399 4.739 4.340 -0.000 0.000 0.211 401 Q C 1.457 177.464 176.000 0.012 0.000 0.861 401 Q CA 0.578 56.405 55.803 0.041 0.000 0.949 401 Q CB 0.572 29.326 28.738 0.027 0.000 1.115 401 Q HN 0.284 nan 8.270 nan 0.000 0.507 402 A N 0.254 123.093 122.820 0.032 0.000 1.902 402 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 402 A C 2.108 179.748 177.584 0.093 0.000 1.181 402 A CA 1.771 53.808 52.037 0.000 0.000 0.623 402 A CB -1.012 18.039 19.000 0.085 0.000 0.818 402 A HN 0.441 nan 8.150 nan 0.000 0.443 403 G N -0.195 108.689 108.800 0.140 0.000 2.402 403 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 403 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 403 G C 1.128 176.095 174.900 0.110 0.000 1.162 403 G CA 1.117 46.340 45.100 0.205 0.000 0.777 403 G HN 0.468 nan 8.290 nan 0.000 0.539 404 D N 0.404 120.842 120.400 0.063 0.000 2.104 404 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 404 D C 2.411 178.673 176.300 -0.064 0.000 0.994 404 D CA 0.876 54.877 54.000 0.001 0.000 0.830 404 D CB -0.426 40.376 40.800 0.003 0.000 0.959 404 D HN 0.259 nan 8.370 nan 0.000 0.452 405 L N 1.122 122.315 121.223 -0.049 0.000 2.012 405 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 405 L C 2.199 179.150 176.870 0.136 0.000 1.073 405 L CA 2.085 56.903 54.840 -0.037 0.000 0.748 405 L CB -0.844 41.116 42.059 -0.166 0.000 0.891 405 L HN -0.010 nan 8.230 nan 0.000 0.431 406 A N -0.412 122.504 122.820 0.160 0.000 1.883 406 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 406 A C 2.371 179.792 177.584 -0.271 0.000 1.186 406 A CA 1.663 53.776 52.037 0.126 0.000 0.624 406 A CB -1.714 17.360 19.000 0.124 0.000 0.822 406 A HN 0.560 nan 8.150 nan 0.000 0.444 407 G N -0.493 107.923 108.800 -0.639 0.000 2.450 407 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 407 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 407 G C 1.320 176.091 174.900 -0.215 0.000 1.130 407 G CA 1.175 45.935 45.100 -0.566 0.000 0.760 407 G HN 0.354 nan 8.290 nan 0.000 0.557 408 L N -0.473 120.620 121.223 -0.216 0.000 2.131 408 L HA 0.127 4.467 4.340 -0.000 0.000 0.210 408 L C 2.348 178.941 176.870 -0.462 0.000 1.092 408 L CA 1.198 55.815 54.840 -0.371 0.000 0.759 408 L CB -0.739 40.987 42.059 -0.555 0.000 0.903 408 L HN 0.283 nan 8.230 nan 0.000 0.435 409 F N -1.763 118.128 119.950 -0.098 0.000 2.530 409 F HA -0.002 4.525 4.527 -0.000 0.000 0.292 409 F C 2.561 178.352 175.800 -0.016 0.000 1.109 409 F CA 0.698 58.669 58.000 -0.048 0.000 1.450 409 F CB -0.680 38.300 39.000 -0.033 0.000 1.114 409 F HN 0.090 nan 8.300 nan 0.000 0.560 410 S N 0.395 116.167 115.700 0.121 0.000 2.414 410 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 410 S C 2.109 176.773 174.600 0.107 0.000 1.022 410 S CA 0.544 58.823 58.200 0.132 0.000 0.958 410 S CB -0.505 62.826 63.200 0.218 0.000 0.797 410 S HN 0.340 nan 8.310 nan 0.000 0.493 411 R N 2.376 122.914 120.500 0.064 0.000 2.094 411 R HA -0.045 4.295 4.340 -0.000 0.000 0.239 411 R C -0.675 175.662 176.300 0.063 0.000 1.137 411 R CA 2.085 58.221 56.100 0.060 0.000 0.943 411 R CB -1.267 29.051 30.300 0.030 0.000 0.850 411 R HN 0.416 nan 8.270 nan 0.000 0.433 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