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 3aek_1_A DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLNG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.401 174.700 -0.499 0.000 1.109 7 T CA 0.000 61.929 62.100 -0.285 0.000 1.349 7 T CB 0.000 68.692 68.868 -0.294 0.000 0.612 8 F N 1.385 121.327 119.950 -0.014 0.000 2.540 8 F HA 0.728 5.255 4.527 -0.000 0.000 0.317 8 F C 0.623 176.416 175.800 -0.011 0.000 1.104 8 F CA 0.086 58.078 58.000 -0.013 0.000 0.913 8 F CB 2.376 41.371 39.000 -0.010 0.000 1.170 8 F HN 0.422 nan 8.300 nan 0.000 0.450 9 G N 1.155 110.061 108.800 0.177 0.000 3.305 9 G HA2 0.014 3.974 3.960 -0.000 0.000 0.649 9 G HA3 0.014 3.974 3.960 -0.000 0.000 0.649 9 G C -0.839 174.089 174.900 0.047 0.000 1.255 9 G CA -1.093 44.063 45.100 0.093 0.000 1.137 9 G HN 0.836 nan 8.290 nan 0.000 0.535 10 C N 2.695 122.017 119.300 0.038 0.000 2.863 10 C HA 0.323 4.783 4.460 -0.000 0.000 0.284 10 C C 2.467 177.462 174.990 0.009 0.000 1.426 10 C CA 0.624 59.651 59.018 0.015 0.000 1.782 10 C CB -0.917 26.829 27.740 0.010 0.000 2.554 10 C HN 0.894 nan 8.230 nan 0.000 0.566 11 T N 1.108 115.671 114.554 0.014 0.000 2.665 11 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 11 T C 0.970 175.669 174.700 -0.000 0.000 1.035 11 T CA 1.782 63.887 62.100 0.008 0.000 1.151 11 T CB -0.153 68.721 68.868 0.010 0.000 0.862 11 T HN 0.542 nan 8.240 nan 0.000 0.438 12 D N 0.965 121.364 120.400 -0.002 0.000 2.388 12 D HA 0.213 4.853 4.640 -0.000 0.000 0.221 12 D C -0.005 176.288 176.300 -0.011 0.000 1.133 12 D CA 0.029 54.025 54.000 -0.007 0.000 0.831 12 D CB 0.214 41.011 40.800 -0.005 0.000 0.962 12 D HN 0.194 nan 8.370 nan 0.000 0.502 13 S N 2.799 118.492 115.700 -0.012 0.000 2.531 13 S HA 0.206 4.676 4.470 -0.000 0.000 0.279 13 S C -2.073 172.514 174.600 -0.021 0.000 1.305 13 S CA -0.858 57.331 58.200 -0.018 0.000 1.058 13 S CB 1.002 64.189 63.200 -0.021 0.000 0.899 13 S HN 0.138 nan 8.310 nan 0.000 0.493 14 P HA 0.129 nan 4.420 nan 0.000 0.276 14 P C -0.557 176.727 177.300 -0.027 0.000 1.243 14 P CA -0.269 62.818 63.100 -0.021 0.000 0.768 14 P CB 0.647 32.336 31.700 -0.018 0.000 0.856 15 V N 4.775 124.672 119.914 -0.029 0.000 2.407 15 V HA 0.302 4.422 4.120 -0.000 0.000 0.278 15 V C 0.478 176.556 176.094 -0.027 0.000 1.037 15 V CA -1.062 61.217 62.300 -0.035 0.000 0.900 15 V CB 0.859 32.656 31.823 -0.043 0.000 0.983 15 V HN 0.580 nan 8.190 nan 0.000 0.459 16 R N 6.577 127.061 120.500 -0.028 0.000 2.404 16 R HA 0.251 4.591 4.340 -0.000 0.000 0.315 16 R C -0.439 175.856 176.300 -0.009 0.000 1.032 16 R CA -0.326 55.764 56.100 -0.016 0.000 0.992 16 R CB 0.290 30.579 30.300 -0.019 0.000 0.959 16 R HN 0.750 nan 8.270 nan 0.000 0.428 17 R N 4.300 124.801 120.500 0.001 0.000 2.230 17 R HA 0.142 4.482 4.340 -0.000 0.000 0.337 17 R C -0.597 175.717 176.300 0.023 0.000 1.063 17 R CA -0.228 55.880 56.100 0.014 0.000 0.935 17 R CB 0.917 31.226 30.300 0.016 0.000 1.121 17 R HN 0.677 nan 8.270 nan 0.000 0.486 18 E N 3.354 123.572 120.200 0.031 0.000 2.199 18 E HA 0.382 4.732 4.350 -0.000 0.000 0.269 18 E C -0.658 175.970 176.600 0.047 0.000 0.899 18 E CA -0.790 55.632 56.400 0.036 0.000 0.772 18 E CB 1.555 31.276 29.700 0.035 0.000 1.155 18 E HN 0.521 nan 8.360 nan 0.000 0.408 19 R N 1.975 122.502 120.500 0.044 0.000 2.836 19 R HA 0.906 5.246 4.340 -0.000 0.000 0.269 19 R C -0.070 176.255 176.300 0.042 0.000 1.010 19 R CA -0.509 55.619 56.100 0.047 0.000 0.930 19 R CB 1.863 32.190 30.300 0.046 0.000 1.218 19 R HN 0.685 nan 8.270 nan 0.000 0.473 20 G N 0.246 109.070 108.800 0.040 0.000 2.260 20 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.250 20 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.250 20 G C -1.529 173.391 174.900 0.032 0.000 1.340 20 G CA -0.650 44.470 45.100 0.034 0.000 1.056 20 G HN 0.759 nan 8.290 nan 0.000 0.471 21 Q N 0.781 120.598 119.800 0.027 0.000 2.263 21 Q HA 0.360 4.700 4.340 -0.000 0.000 0.289 21 Q C -0.243 175.771 176.000 0.024 0.000 1.061 21 Q CA 0.635 56.450 55.803 0.019 0.000 0.927 21 Q CB 0.184 28.929 28.738 0.012 0.000 1.154 21 Q HN 0.392 nan 8.270 nan 0.000 0.378 22 K N 2.093 122.502 120.400 0.014 0.000 2.328 22 K HA 0.627 4.947 4.320 -0.000 0.000 0.246 22 K C -1.324 175.260 176.600 -0.027 0.000 0.955 22 K CA -0.780 55.515 56.287 0.013 0.000 0.817 22 K CB 2.040 34.556 32.500 0.027 0.000 1.208 22 K HN 0.592 nan 8.250 nan 0.000 0.432 23 A N 2.041 124.831 122.820 -0.050 0.000 2.938 23 A HA 0.448 4.768 4.320 -0.000 0.000 0.344 23 A C -0.491 176.984 177.584 -0.182 0.000 1.142 23 A CA -0.544 51.415 52.037 -0.129 0.000 0.841 23 A CB -0.143 18.763 19.000 -0.157 0.000 1.083 23 A HN 0.426 nan 8.150 nan 0.000 0.479 24 V N -2.547 117.259 119.914 -0.180 0.000 3.130 24 V HA 0.844 4.964 4.120 -0.000 0.000 0.310 24 V C -0.764 175.191 176.094 -0.233 0.000 1.158 24 V CA -1.319 60.860 62.300 -0.201 0.000 1.029 24 V CB 1.307 33.118 31.823 -0.020 0.000 1.057 24 V HN 0.314 nan 8.190 nan 0.000 0.436 25 F N 1.757 121.649 119.950 -0.097 0.000 2.389 25 F HA 0.647 5.174 4.527 -0.000 0.000 0.337 25 F C 1.271 177.095 175.800 0.041 0.000 1.112 25 F CA -0.407 57.556 58.000 -0.063 0.000 1.192 25 F CB 0.709 39.623 39.000 -0.144 0.000 1.185 25 F HN 1.042 nan 8.300 nan 0.000 0.552 26 C N 0.528 119.986 119.300 0.264 0.000 2.639 26 C HA 0.523 4.983 4.460 -0.000 0.000 0.360 26 C C 1.760 176.847 174.990 0.162 0.000 1.351 26 C CA -0.260 58.856 59.018 0.163 0.000 2.408 26 C CB 0.076 27.873 27.740 0.095 0.000 2.517 26 C HN 1.027 nan 8.230 nan 0.000 0.696 27 G N -0.183 108.673 108.800 0.093 0.000 2.679 27 G HA2 0.036 3.996 3.960 -0.000 0.000 0.212 27 G HA3 0.036 3.996 3.960 -0.000 0.000 0.212 27 G C 1.039 175.904 174.900 -0.058 0.000 1.137 27 G CA 0.151 45.273 45.100 0.037 0.000 0.787 27 G HN 0.679 nan 8.290 nan 0.000 0.534 28 L N 1.756 122.942 121.223 -0.062 0.000 2.131 28 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 28 L C 3.198 179.897 176.870 -0.286 0.000 1.092 28 L CA 2.125 56.871 54.840 -0.157 0.000 0.759 28 L CB -0.920 41.068 42.059 -0.119 0.000 0.903 28 L HN 0.387 nan 8.230 nan 0.000 0.435 29 T N -4.073 110.348 114.554 -0.222 0.000 2.929 29 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 29 T C 2.002 176.410 174.700 -0.487 0.000 1.085 29 T CA 1.111 63.042 62.100 -0.282 0.000 1.125 29 T CB -0.693 68.072 68.868 -0.172 0.000 0.874 29 T HN 0.454 nan 8.240 nan 0.000 0.494 30 S N 1.742 116.982 115.700 -0.767 0.000 2.423 30 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 30 S C 1.974 175.635 174.600 -1.565 0.000 1.014 30 S CA 0.604 57.758 58.200 -1.744 0.000 0.965 30 S CB -0.948 61.539 63.200 -1.188 0.000 0.785 30 S HN 0.579 nan 8.310 nan 0.000 0.495 31 I N 1.631 121.595 120.570 -1.010 0.000 2.335 31 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 31 I C 2.348 178.024 176.117 -0.735 0.000 1.129 31 I CA 0.946 61.626 61.300 -1.034 0.000 1.402 31 I CB -0.566 36.906 38.000 -0.881 0.000 1.069 31 I HN 0.209 nan 8.210 nan 0.000 0.424 32 V N 0.628 120.202 119.914 -0.567 0.000 2.324 32 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 32 V C 2.109 178.265 176.094 0.103 0.000 1.060 32 V CA 2.564 64.797 62.300 -0.112 0.000 1.042 32 V CB -0.845 30.999 31.823 0.035 0.000 0.650 32 V HN 0.796 nan 8.190 nan 0.000 0.450 33 W N -1.238 119.988 121.300 -0.124 0.000 2.630 33 W HA 0.257 4.917 4.660 -0.000 0.000 0.271 33 W C 1.701 178.033 176.519 -0.312 0.000 1.244 33 W CA -0.051 57.113 57.345 -0.302 0.000 1.353 33 W CB -1.068 28.081 29.460 -0.520 0.000 1.080 33 W HN 0.049 nan 8.180 nan 0.000 0.594 34 L N 2.081 122.911 121.223 -0.655 0.000 2.042 34 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 34 L C 2.897 179.625 176.870 -0.237 0.000 1.076 34 L CA 2.480 57.017 54.840 -0.505 0.000 0.749 34 L CB -1.748 39.768 42.059 -0.905 0.000 0.893 34 L HN 0.513 nan 8.230 nan 0.000 0.432 35 H N -2.534 116.351 119.070 -0.309 0.000 2.457 35 H HA 0.002 4.558 4.556 -0.000 0.000 0.294 35 H C 1.990 177.383 175.328 0.108 0.000 1.064 35 H CA 0.793 56.880 56.048 0.064 0.000 1.330 35 H CB -0.034 29.799 29.762 0.119 0.000 1.395 35 H HN 0.075 nan 8.280 nan 0.000 0.541 36 R N 0.713 120.920 120.500 -0.488 0.000 2.090 36 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 36 R C 2.162 178.410 176.300 -0.087 0.000 1.110 36 R CA 1.276 57.197 56.100 -0.299 0.000 0.973 36 R CB -0.333 29.798 30.300 -0.281 0.000 0.869 36 R HN 0.367 nan 8.270 nan 0.000 0.440 37 K N 0.444 120.812 120.400 -0.052 0.000 2.031 37 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 37 K C 0.718 177.343 176.600 0.042 0.000 1.049 37 K CA 0.960 57.247 56.287 -0.001 0.000 0.939 37 K CB 0.118 32.625 32.500 0.012 0.000 0.717 37 K HN -0.027 nan 8.250 nan 0.000 0.438 38 M N 2.047 121.703 119.600 0.093 0.000 2.365 38 M HA 0.102 4.582 4.480 -0.000 0.000 0.350 38 M C 0.317 176.715 176.300 0.163 0.000 1.274 38 M CA -0.087 55.299 55.300 0.143 0.000 1.252 38 M CB 1.267 33.995 32.600 0.212 0.000 1.297 38 M HN 0.154 nan 8.290 nan 0.000 0.438 39 Q N 1.064 120.933 119.800 0.115 0.000 2.135 39 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 39 Q C 0.611 176.689 176.000 0.129 0.000 0.981 39 Q CA 1.467 57.337 55.803 0.112 0.000 0.856 39 Q CB 0.110 28.894 28.738 0.077 0.000 0.902 39 Q HN 0.745 nan 8.270 nan 0.000 0.425 40 D N -1.246 119.224 120.400 0.116 0.000 2.463 40 D HA 0.264 4.904 4.640 -0.000 0.000 0.224 40 D C -0.438 175.934 176.300 0.120 0.000 1.174 40 D CA -0.197 53.866 54.000 0.104 0.000 0.829 40 D CB 0.127 40.960 40.800 0.056 0.000 0.993 40 D HN 0.096 nan 8.370 nan 0.000 0.497 41 A N 0.010 122.930 122.820 0.166 0.000 2.306 41 A HA 0.663 4.983 4.320 -0.000 0.000 0.330 41 A C -1.230 176.465 177.584 0.185 0.000 1.146 41 A CA -0.750 51.378 52.037 0.152 0.000 0.827 41 A CB 1.024 20.120 19.000 0.161 0.000 1.178 41 A HN 0.226 nan 8.150 nan 0.000 0.490 42 F N 0.681 120.605 119.950 -0.042 0.000 2.540 42 F HA 0.702 5.229 4.527 -0.000 0.000 0.317 42 F C -1.514 174.242 175.800 -0.073 0.000 1.104 42 F CA -0.997 57.020 58.000 0.027 0.000 0.913 42 F CB 1.630 40.650 39.000 0.033 0.000 1.170 42 F HN 0.436 nan 8.300 nan 0.000 0.450 43 F N 7.084 126.912 119.950 -0.204 0.000 2.347 43 F HA 0.436 4.963 4.527 -0.000 0.000 0.366 43 F C -0.765 175.019 175.800 -0.027 0.000 1.107 43 F CA -0.801 57.201 58.000 0.004 0.000 1.058 43 F CB 1.324 40.276 39.000 -0.079 0.000 1.236 43 F HN 0.218 nan 8.300 nan 0.000 0.456 44 L N 5.522 126.947 121.223 0.336 0.000 2.272 44 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 44 L C -0.636 176.326 176.870 0.154 0.000 1.045 44 L CA -0.494 54.538 54.840 0.319 0.000 0.842 44 L CB 0.641 42.907 42.059 0.345 0.000 1.224 44 L HN 0.294 nan 8.230 nan 0.000 0.430 45 V N 5.781 125.759 119.914 0.106 0.000 2.572 45 V HA 0.184 4.304 4.120 -0.000 0.000 0.291 45 V C 0.148 176.262 176.094 0.034 0.000 1.039 45 V CA -0.462 61.855 62.300 0.029 0.000 1.055 45 V CB 1.260 33.086 31.823 0.005 0.000 0.969 45 V HN 0.458 nan 8.190 nan 0.000 0.482 46 V N 5.350 125.266 119.914 0.003 0.000 2.318 46 V HA 0.845 4.965 4.120 -0.000 0.000 0.271 46 V C 0.678 176.767 176.094 -0.009 0.000 1.030 46 V CA 0.606 62.904 62.300 -0.003 0.000 0.844 46 V CB 0.377 32.188 31.823 -0.021 0.000 1.015 46 V HN 1.121 nan 8.190 nan 0.000 0.460 47 G N 3.545 112.346 108.800 0.000 0.000 2.588 47 G HA2 0.632 4.592 3.960 -0.000 0.000 0.281 47 G HA3 0.632 4.592 3.960 -0.000 0.000 0.281 47 G C -0.563 174.341 174.900 0.007 0.000 1.223 47 G CA 0.217 45.317 45.100 0.001 0.000 0.871 47 G HN 0.772 nan 8.290 nan 0.000 0.492 48 S N -1.153 114.553 115.700 0.011 0.000 2.768 48 S HA 0.483 4.953 4.470 -0.000 0.000 0.300 48 S C 1.285 175.897 174.600 0.021 0.000 1.122 48 S CA 0.004 58.211 58.200 0.011 0.000 0.995 48 S CB 2.049 65.253 63.200 0.007 0.000 1.195 48 S HN 0.810 nan 8.310 nan 0.000 0.547 49 R N -0.164 120.345 120.500 0.015 0.000 2.159 49 R HA -0.087 4.252 4.340 -0.000 0.000 0.237 49 R C 1.745 178.072 176.300 0.045 0.000 1.131 49 R CA 1.944 58.056 56.100 0.021 0.000 0.982 49 R CB -1.128 29.166 30.300 -0.009 0.000 0.868 49 R HN 0.813 nan 8.270 nan 0.000 0.453 50 T N -0.219 114.357 114.554 0.036 0.000 2.708 50 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 50 T C 1.930 176.687 174.700 0.095 0.000 1.037 50 T CA 1.564 63.706 62.100 0.069 0.000 1.146 50 T CB -0.338 68.555 68.868 0.042 0.000 0.865 50 T HN 0.430 nan 8.240 nan 0.000 0.435 51 C N 1.692 121.025 119.300 0.054 0.000 2.440 51 C HA 0.180 4.640 4.460 -0.000 0.000 0.278 51 C C 3.223 178.233 174.990 0.034 0.000 1.295 51 C CA 0.121 59.158 59.018 0.032 0.000 1.738 51 C CB -1.502 26.245 27.740 0.013 0.000 1.987 51 C HN 0.640 nan 8.230 nan 0.000 0.492 52 A N -0.526 122.332 122.820 0.062 0.000 1.929 52 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 52 A C 2.104 179.745 177.584 0.095 0.000 1.176 52 A CA 1.433 53.515 52.037 0.075 0.000 0.628 52 A CB -1.056 17.989 19.000 0.076 0.000 0.816 52 A HN 0.795 nan 8.150 nan 0.000 0.444 53 H N -0.513 118.559 119.070 0.003 0.000 2.319 53 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 53 H C 2.100 177.423 175.328 -0.008 0.000 1.092 53 H CA 1.855 57.903 56.048 -0.000 0.000 1.302 53 H CB -0.064 29.700 29.762 0.003 0.000 1.373 53 H HN 0.397 nan 8.280 nan 0.000 0.497 54 L N 1.035 122.250 121.223 -0.013 0.000 2.012 54 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 54 L C 2.407 179.193 176.870 -0.140 0.000 1.073 54 L CA 1.477 56.267 54.840 -0.082 0.000 0.748 54 L CB -0.739 41.310 42.059 -0.018 0.000 0.891 54 L HN 0.254 nan 8.230 nan 0.000 0.431 55 L N -0.723 120.427 121.223 -0.123 0.000 2.046 55 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 55 L C 2.754 179.558 176.870 -0.110 0.000 1.077 55 L CA 1.760 56.482 54.840 -0.196 0.000 0.747 55 L CB -0.634 41.303 42.059 -0.203 0.000 0.896 55 L HN 0.547 nan 8.230 nan 0.000 0.432 56 Q N 0.240 120.013 119.800 -0.046 0.000 2.050 56 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 56 Q C 2.267 178.194 176.000 -0.122 0.000 0.980 56 Q CA 1.962 57.727 55.803 -0.064 0.000 0.840 56 Q CB -0.103 28.602 28.738 -0.054 0.000 0.898 56 Q HN 0.473 nan 8.270 nan 0.000 0.424 57 A N 1.004 123.716 122.820 -0.179 0.000 1.858 57 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 57 A C 2.372 179.871 177.584 -0.141 0.000 1.190 57 A CA 1.882 53.812 52.037 -0.179 0.000 0.617 57 A CB -1.237 17.611 19.000 -0.253 0.000 0.827 57 A HN 0.606 nan 8.150 nan 0.000 0.443 58 A N -0.235 122.483 122.820 -0.170 0.000 1.908 58 A HA 0.101 4.420 4.320 -0.000 0.000 0.218 58 A C 2.482 179.976 177.584 -0.150 0.000 1.181 58 A CA 2.352 54.266 52.037 -0.204 0.000 0.627 58 A CB -0.996 17.829 19.000 -0.291 0.000 0.818 58 A HN 1.133 nan 8.150 nan 0.000 0.445 59 A N -1.545 121.215 122.820 -0.100 0.000 2.014 59 A HA 0.362 4.682 4.320 -0.000 0.000 0.218 59 A C 2.240 179.827 177.584 0.005 0.000 1.163 59 A CA 1.600 53.638 52.037 0.001 0.000 0.652 59 A CB -1.321 17.756 19.000 0.129 0.000 0.808 59 A HN 1.896 nan 8.150 nan 0.000 0.449 60 G N -0.654 108.125 108.800 -0.035 0.000 2.685 60 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.329 60 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.329 60 G C 1.235 176.184 174.900 0.081 0.000 1.271 60 G CA 2.173 47.283 45.100 0.018 0.000 1.003 60 G HN 1.035 nan 8.290 nan 0.000 0.549 61 V N 0.346 120.365 119.914 0.176 0.000 2.380 61 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 61 V C 2.945 179.188 176.094 0.247 0.000 1.063 61 V CA 3.206 65.687 62.300 0.303 0.000 1.055 61 V CB -0.772 31.172 31.823 0.201 0.000 0.657 61 V HN 0.563 nan 8.190 nan 0.000 0.455 62 M N -0.690 119.001 119.600 0.151 0.000 2.144 62 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 62 M C 2.200 178.517 176.300 0.029 0.000 1.067 62 M CA 2.018 57.413 55.300 0.158 0.000 1.095 62 M CB -0.523 32.239 32.600 0.269 0.000 1.365 62 M HN 0.332 nan 8.290 nan 0.000 0.406 63 I N -0.260 120.218 120.570 -0.154 0.000 2.423 63 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 63 I C 1.166 177.011 176.117 -0.453 0.000 1.151 63 I CA 1.603 62.666 61.300 -0.395 0.000 1.421 63 I CB -0.111 37.558 38.000 -0.552 0.000 1.079 63 I HN 0.138 nan 8.210 nan 0.000 0.431 64 F N -0.296 119.661 119.950 0.012 0.000 2.765 64 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 64 F C 1.868 177.674 175.800 0.011 0.000 1.111 64 F CA 0.371 58.375 58.000 0.006 0.000 1.359 64 F CB -0.628 38.381 39.000 0.015 0.000 1.097 64 F HN -0.001 nan 8.300 nan 0.000 0.577 65 A N 0.028 122.926 122.820 0.129 0.000 2.684 65 A HA 0.235 4.555 4.320 -0.000 0.000 0.288 65 A C 0.492 178.109 177.584 0.055 0.000 1.337 65 A CA -0.226 51.875 52.037 0.107 0.000 0.946 65 A CB -0.739 18.340 19.000 0.130 0.000 1.093 65 A HN 0.299 nan 8.150 nan 0.000 0.543 66 E N 0.065 120.269 120.200 0.006 0.000 2.210 66 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 66 E C -2.141 174.423 176.600 -0.059 0.000 1.339 66 E CA 0.706 57.090 56.400 -0.027 0.000 0.699 66 E CB -1.749 27.964 29.700 0.023 0.000 1.126 66 E HN 0.672 nan 8.360 nan 0.000 0.355 67 P HA 0.085 nan 4.420 nan 0.000 0.272 67 P C 0.080 177.194 177.300 -0.310 0.000 1.240 67 P CA -0.121 62.807 63.100 -0.285 0.000 0.791 67 P CB 0.558 31.819 31.700 -0.731 0.000 0.978 68 R N 0.848 121.261 120.500 -0.146 0.000 4.031 68 R HA 0.290 4.630 4.340 -0.000 0.000 0.269 68 R C -0.200 175.693 176.300 -0.679 0.000 1.668 68 R CA -0.055 55.977 56.100 -0.113 0.000 1.432 68 R CB -0.901 29.535 30.300 0.227 0.000 1.374 68 R HN 0.494 nan 8.270 nan 0.000 0.681 69 F N -3.021 116.393 119.950 -0.893 0.000 2.662 69 F HA 0.870 5.397 4.527 -0.000 0.000 0.312 69 F C -0.207 175.300 175.800 -0.489 0.000 1.113 69 F CA -1.218 56.214 58.000 -0.947 0.000 0.951 69 F CB 1.332 40.021 39.000 -0.518 0.000 1.344 69 F HN -0.029 nan 8.300 nan 0.000 0.462 70 G N -0.219 108.604 108.800 0.038 0.000 2.559 70 G HA2 0.541 4.501 3.960 -0.000 0.000 0.291 70 G HA3 0.541 4.501 3.960 -0.000 0.000 0.291 70 G C -2.156 172.875 174.900 0.219 0.000 1.424 70 G CA -0.945 44.279 45.100 0.207 0.000 0.786 70 G HN 0.751 nan 8.290 nan 0.000 0.485 71 T N 0.571 115.220 114.554 0.158 0.000 2.840 71 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 71 T C 0.197 174.948 174.700 0.086 0.000 0.991 71 T CA 0.129 62.295 62.100 0.109 0.000 0.964 71 T CB 1.561 70.476 68.868 0.078 0.000 0.954 71 T HN 1.197 nan 8.240 nan 0.000 0.438 72 A N 3.288 126.152 122.820 0.072 0.000 2.539 72 A HA 0.496 4.816 4.320 -0.000 0.000 0.306 72 A C 0.700 178.299 177.584 0.025 0.000 1.392 72 A CA -0.572 51.490 52.037 0.042 0.000 1.060 72 A CB -0.565 18.452 19.000 0.029 0.000 1.134 72 A HN 0.871 nan 8.150 nan 0.000 0.542 73 V N 4.767 124.695 119.914 0.024 0.000 2.508 73 V HA 0.344 4.464 4.120 -0.000 0.000 0.281 73 V C -0.007 176.090 176.094 0.005 0.000 1.041 73 V CA -0.786 61.523 62.300 0.015 0.000 1.016 73 V CB 0.273 32.108 31.823 0.019 0.000 0.984 73 V HN 0.556 nan 8.190 nan 0.000 0.478 74 L N 6.214 127.436 121.223 -0.001 0.000 2.540 74 L HA 0.299 4.639 4.340 -0.000 0.000 0.276 74 L C 0.741 177.608 176.870 -0.004 0.000 1.212 74 L CA 0.786 55.622 54.840 -0.006 0.000 0.893 74 L CB -0.400 41.654 42.059 -0.009 0.000 1.138 74 L HN 0.815 nan 8.230 nan 0.000 0.491 75 E N 1.933 122.130 120.200 -0.005 0.000 2.254 75 E HA 0.153 4.503 4.350 -0.000 0.000 0.261 75 E C 0.460 177.058 176.600 -0.004 0.000 1.051 75 E CA -0.626 55.772 56.400 -0.004 0.000 0.902 75 E CB 1.034 30.732 29.700 -0.003 0.000 1.168 75 E HN 0.534 nan 8.360 nan 0.000 0.423 76 E N 0.662 120.861 120.200 -0.003 0.000 2.118 76 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 76 E C 1.922 178.521 176.600 -0.002 0.000 0.992 76 E CA 1.636 58.035 56.400 -0.002 0.000 0.804 76 E CB 0.117 29.815 29.700 -0.002 0.000 0.741 76 E HN 0.472 nan 8.360 nan 0.000 0.458 77 Q N 0.008 119.807 119.800 -0.002 0.000 2.226 77 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 77 Q C 0.992 176.991 176.000 -0.001 0.000 0.975 77 Q CA 1.379 57.181 55.803 -0.001 0.000 0.866 77 Q CB 0.016 28.753 28.738 -0.000 0.000 0.915 77 Q HN 0.213 nan 8.270 nan 0.000 0.440 78 D N 0.984 121.381 120.400 -0.005 0.000 2.347 78 D HA 0.031 4.671 4.640 -0.000 0.000 0.215 78 D C 1.759 178.054 176.300 -0.007 0.000 0.976 78 D CA 0.539 54.534 54.000 -0.009 0.000 0.884 78 D CB 0.223 41.013 40.800 -0.016 0.000 0.915 78 D HN 0.351 nan 8.370 nan 0.000 0.526 79 L N 0.472 121.693 121.223 -0.003 0.000 2.341 79 L HA 0.139 4.479 4.340 -0.000 0.000 0.214 79 L C 1.342 178.214 176.870 0.004 0.000 1.115 79 L CA -0.136 54.704 54.840 -0.001 0.000 0.820 79 L CB -0.305 41.754 42.059 -0.000 0.000 0.944 79 L HN -0.146 nan 8.230 nan 0.000 0.452 80 A N 0.446 123.269 122.820 0.004 0.000 2.466 80 A HA 0.342 4.662 4.320 -0.000 0.000 0.238 80 A C 1.422 179.013 177.584 0.011 0.000 1.074 80 A CA 0.422 52.463 52.037 0.007 0.000 0.774 80 A CB 0.296 19.299 19.000 0.006 0.000 1.015 80 A HN 0.316 nan 8.150 nan 0.000 0.498 81 G N -0.215 108.592 108.800 0.012 0.000 2.744 81 G HA2 0.145 4.105 3.960 -0.000 0.000 0.211 81 G HA3 0.145 4.105 3.960 -0.000 0.000 0.211 81 G C 0.775 175.685 174.900 0.017 0.000 1.143 81 G CA 0.335 45.444 45.100 0.015 0.000 0.788 81 G HN 0.512 nan 8.290 nan 0.000 0.534 82 L N 0.074 121.306 121.223 0.015 0.000 2.701 82 L HA 0.401 4.741 4.340 -0.000 0.000 0.238 82 L C 1.497 178.377 176.870 0.018 0.000 1.106 82 L CA 0.180 55.029 54.840 0.016 0.000 0.898 82 L CB -0.236 41.830 42.059 0.012 0.000 1.188 82 L HN 0.189 nan 8.230 nan 0.000 0.508 83 A N 0.891 123.721 122.820 0.017 0.000 2.515 83 A HA -0.017 4.303 4.320 -0.000 0.000 0.263 83 A C 0.158 177.757 177.584 0.026 0.000 1.096 83 A CA 0.039 52.085 52.037 0.016 0.000 0.769 83 A CB -0.324 18.681 19.000 0.009 0.000 1.040 83 A HN 0.160 nan 8.150 nan 0.000 0.505 84 D N 3.401 123.819 120.400 0.030 0.000 2.498 84 D HA 0.361 5.001 4.640 -0.000 0.000 0.229 84 D C 1.228 177.552 176.300 0.041 0.000 1.188 84 D CA 0.680 54.710 54.000 0.050 0.000 1.028 84 D CB 0.334 41.162 40.800 0.045 0.000 1.087 84 D HN 0.525 nan 8.370 nan 0.000 0.510 85 A N 3.672 126.505 122.820 0.022 0.000 2.119 85 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 85 A C 1.805 179.336 177.584 -0.088 0.000 1.153 85 A CA 0.840 52.850 52.037 -0.044 0.000 0.692 85 A CB -0.321 18.627 19.000 -0.086 0.000 0.799 85 A HN 0.603 nan 8.150 nan 0.000 0.458 86 H N 0.263 119.337 119.070 0.007 0.000 2.403 86 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 86 H C 2.073 177.405 175.328 0.007 0.000 1.059 86 H CA 1.743 57.795 56.048 0.007 0.000 1.363 86 H CB 0.102 29.867 29.762 0.006 0.000 1.410 86 H HN 0.779 nan 8.280 nan 0.000 0.528 87 K N 1.070 121.539 120.400 0.115 0.000 2.305 87 K HA -0.073 4.247 4.320 -0.000 0.000 0.199 87 K C 1.872 178.493 176.600 0.035 0.000 1.047 87 K CA 1.052 57.377 56.287 0.063 0.000 0.976 87 K CB 0.342 32.869 32.500 0.045 0.000 0.765 87 K HN -0.020 nan 8.250 nan 0.000 0.474 88 E N 1.359 121.572 120.200 0.022 0.000 2.047 88 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 88 E C 1.838 178.437 176.600 -0.002 0.000 0.987 88 E CA 0.906 57.308 56.400 0.004 0.000 0.799 88 E CB -0.245 29.451 29.700 -0.007 0.000 0.752 88 E HN 0.329 nan 8.360 nan 0.000 0.449 89 L N 0.873 122.087 121.223 -0.015 0.000 2.046 89 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 89 L C 1.386 178.265 176.870 0.015 0.000 1.077 89 L CA 2.104 56.934 54.840 -0.016 0.000 0.747 89 L CB -0.644 41.380 42.059 -0.058 0.000 0.896 89 L HN 0.072 nan 8.230 nan 0.000 0.432 90 D N -0.723 119.701 120.400 0.041 0.000 2.144 90 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 90 D C 2.266 178.595 176.300 0.047 0.000 0.984 90 D CA 1.074 55.109 54.000 0.059 0.000 0.834 90 D CB -0.187 40.651 40.800 0.063 0.000 0.955 90 D HN 0.334 nan 8.370 nan 0.000 0.465 91 R N 0.790 121.307 120.500 0.028 0.000 2.073 91 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 91 R C 1.831 178.133 176.300 0.004 0.000 1.134 91 R CA 1.145 57.255 56.100 0.016 0.000 0.952 91 R CB 0.086 30.391 30.300 0.009 0.000 0.850 91 R HN 0.094 nan 8.270 nan 0.000 0.433 92 E N 0.235 120.433 120.200 -0.002 0.000 2.058 92 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 92 E C 2.036 178.612 176.600 -0.040 0.000 0.997 92 E CA 1.742 58.132 56.400 -0.017 0.000 0.801 92 E CB -0.291 29.403 29.700 -0.011 0.000 0.746 92 E HN 0.409 nan 8.360 nan 0.000 0.450 93 V N -0.715 119.180 119.914 -0.032 0.000 2.591 93 V HA 0.050 4.170 4.120 -0.000 0.000 0.249 93 V C 2.270 178.301 176.094 -0.105 0.000 1.053 93 V CA 1.599 63.849 62.300 -0.083 0.000 1.068 93 V CB -0.437 31.342 31.823 -0.073 0.000 0.689 93 V HN 0.138 nan 8.190 nan 0.000 0.462 94 A N 0.953 123.772 122.820 -0.001 0.000 1.877 94 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 94 A C 2.411 179.985 177.584 -0.017 0.000 1.186 94 A CA 2.345 54.414 52.037 0.052 0.000 0.620 94 A CB -0.732 18.330 19.000 0.103 0.000 0.822 94 A HN 0.676 nan 8.150 nan 0.000 0.443 95 K N -0.482 119.898 120.400 -0.033 0.000 2.057 95 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 95 K C 1.970 178.516 176.600 -0.091 0.000 1.049 95 K CA 1.685 57.943 56.287 -0.048 0.000 0.931 95 K CB -0.345 32.132 32.500 -0.038 0.000 0.714 95 K HN 0.354 nan 8.250 nan 0.000 0.440 96 L N 1.591 122.733 121.223 -0.136 0.000 2.017 96 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 96 L C 2.067 178.792 176.870 -0.241 0.000 1.073 96 L CA 1.514 56.217 54.840 -0.228 0.000 0.745 96 L CB -0.286 41.577 42.059 -0.327 0.000 0.894 96 L HN 0.211 nan 8.230 nan 0.000 0.432 97 L N -0.865 120.223 121.223 -0.225 0.000 2.156 97 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 97 L C 2.615 179.417 176.870 -0.113 0.000 1.095 97 L CA 0.652 55.370 54.840 -0.203 0.000 0.770 97 L CB -0.745 41.127 42.059 -0.312 0.000 0.914 97 L HN 0.312 nan 8.230 nan 0.000 0.439 98 E N 1.245 121.395 120.200 -0.082 0.000 2.097 98 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 98 E C 2.069 178.637 176.600 -0.052 0.000 1.000 98 E CA 1.725 58.096 56.400 -0.048 0.000 0.804 98 E CB 0.012 29.692 29.700 -0.034 0.000 0.740 98 E HN 0.603 nan 8.360 nan 0.000 0.454 99 R N -0.563 119.898 120.500 -0.065 0.000 2.334 99 R HA 0.180 4.520 4.340 -0.000 0.000 0.216 99 R C 0.535 176.804 176.300 -0.052 0.000 0.905 99 R CA 0.091 56.159 56.100 -0.053 0.000 1.064 99 R CB 0.485 30.754 30.300 -0.053 0.000 1.046 99 R HN -0.212 nan 8.270 nan 0.000 0.508 100 R N 1.084 121.544 120.500 -0.068 0.000 2.629 100 R HA 0.228 4.568 4.340 -0.000 0.000 0.277 100 R C -2.401 173.895 176.300 -0.008 0.000 1.637 100 R CA -1.866 54.203 56.100 -0.050 0.000 1.663 100 R CB 1.506 31.738 30.300 -0.113 0.000 1.228 100 R HN 0.091 nan 8.270 nan 0.000 0.632 101 P HA -0.067 nan 4.420 nan 0.000 0.237 101 P C 0.739 178.173 177.300 0.223 0.000 1.178 101 P CA 0.690 63.841 63.100 0.085 0.000 0.766 101 P CB 0.299 31.991 31.700 -0.013 0.000 0.876 102 D N 0.028 120.499 120.400 0.119 0.000 2.183 102 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 102 D C 0.775 177.124 176.300 0.082 0.000 0.969 102 D CA 0.308 54.372 54.000 0.106 0.000 0.842 102 D CB -0.591 40.259 40.800 0.082 0.000 0.957 102 D HN 0.197 nan 8.370 nan 0.000 0.484 103 I N 1.859 122.471 120.570 0.070 0.000 2.581 103 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 103 I C 1.461 177.549 176.117 -0.048 0.000 1.129 103 I CA -0.108 61.215 61.300 0.040 0.000 1.397 103 I CB 0.649 38.661 38.000 0.021 0.000 1.399 103 I HN -0.182 nan 8.210 nan 0.000 0.537 104 R N 4.514 124.965 120.500 -0.080 0.000 2.282 104 R HA 0.219 4.559 4.340 -0.000 0.000 0.195 104 R C -0.056 176.179 176.300 -0.107 0.000 0.909 104 R CA 0.254 56.245 56.100 -0.181 0.000 1.039 104 R CB 0.276 30.464 30.300 -0.187 0.000 1.015 104 R HN 0.633 nan 8.270 nan 0.000 0.513 105 Q N 0.934 120.706 119.800 -0.047 0.000 2.292 105 Q HA 0.383 4.722 4.340 -0.000 0.000 0.270 105 Q C -1.594 174.331 176.000 -0.126 0.000 1.024 105 Q CA -0.708 55.052 55.803 -0.071 0.000 0.768 105 Q CB 2.559 31.313 28.738 0.026 0.000 1.250 105 Q HN -0.122 nan 8.270 nan 0.000 0.447 106 L N 3.236 124.328 121.223 -0.219 0.000 2.305 106 L HA 0.566 4.905 4.340 -0.000 0.000 0.284 106 L C -1.771 174.960 176.870 -0.232 0.000 1.013 106 L CA -0.171 54.591 54.840 -0.130 0.000 0.819 106 L CB 0.678 42.681 42.059 -0.093 0.000 1.227 106 L HN 0.443 nan 8.230 nan 0.000 0.417 107 F N 5.780 125.741 119.950 0.019 0.000 2.385 107 F HA 0.446 4.973 4.527 -0.000 0.000 0.360 107 F C -0.103 175.729 175.800 0.054 0.000 1.122 107 F CA -0.540 57.514 58.000 0.090 0.000 1.090 107 F CB 1.083 40.140 39.000 0.094 0.000 1.150 107 F HN 0.218 nan 8.300 nan 0.000 0.472 108 L N 5.269 126.590 121.223 0.165 0.000 2.295 108 L HA 0.380 4.720 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 -0.693 54.186 54.840 0.065 0.000 0.830 108 L CB 0.453 42.542 42.059 0.050 0.000 1.200 108 L HN 0.309 nan 8.230 nan 0.000 0.438 109 V N 2.658 122.491 119.914 -0.135 0.000 2.383 109 V HA 0.414 4.534 4.120 -0.000 0.000 0.275 109 V C 0.915 176.895 176.094 -0.190 0.000 1.036 109 V CA -0.593 61.489 62.300 -0.363 0.000 0.889 109 V CB 1.246 32.849 31.823 -0.365 0.000 0.985 109 V HN 0.819 nan 8.190 nan 0.000 0.459 110 G N 3.577 112.271 108.800 -0.176 0.000 2.415 110 G HA2 0.541 4.501 3.960 -0.000 0.000 0.269 110 G HA3 0.541 4.501 3.960 -0.000 0.000 0.269 110 G C 0.061 174.928 174.900 -0.055 0.000 1.209 110 G CA 0.116 45.172 45.100 -0.073 0.000 0.835 110 G HN 0.925 nan 8.290 nan 0.000 0.534 111 S N -0.171 115.512 115.700 -0.028 0.000 2.709 111 S HA 0.307 4.777 4.470 -0.000 0.000 0.302 111 S C 1.239 175.839 174.600 -0.000 0.000 1.127 111 S CA -0.363 57.829 58.200 -0.015 0.000 0.905 111 S CB 1.167 64.359 63.200 -0.014 0.000 1.151 111 S HN 0.585 nan 8.310 nan 0.000 0.510 112 C N 1.186 120.491 119.300 0.007 0.000 2.393 112 C HA 0.023 4.483 4.460 -0.000 0.000 0.276 112 C C -0.425 174.571 174.990 0.009 0.000 1.215 112 C CA 1.586 60.611 59.018 0.012 0.000 1.743 112 C CB -2.341 25.409 27.740 0.016 0.000 2.044 112 C HN 0.762 nan 8.230 nan 0.000 0.464 113 P HA -0.109 nan 4.420 nan 0.000 0.215 113 P C 1.915 179.215 177.300 -0.000 0.000 1.153 113 P CA 2.648 65.750 63.100 0.003 0.000 0.853 113 P CB -0.309 31.392 31.700 0.002 0.000 0.788 114 S N -0.555 115.142 115.700 -0.005 0.000 2.382 114 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 114 S C 1.901 176.501 174.600 -0.000 0.000 1.027 114 S CA 1.208 59.402 58.200 -0.010 0.000 0.991 114 S CB -1.124 62.065 63.200 -0.019 0.000 0.823 114 S HN 0.186 nan 8.310 nan 0.000 0.469 115 E N 0.716 120.920 120.200 0.006 0.000 2.046 115 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 115 E C 2.188 178.798 176.600 0.017 0.000 0.982 115 E CA 1.052 57.462 56.400 0.015 0.000 0.800 115 E CB -0.281 29.430 29.700 0.018 0.000 0.756 115 E HN 0.358 nan 8.360 nan 0.000 0.449 116 V N 1.292 121.214 119.914 0.014 0.000 2.407 116 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 116 V C 2.155 178.257 176.094 0.014 0.000 1.055 116 V CA 1.196 63.505 62.300 0.014 0.000 1.049 116 V CB -0.263 31.567 31.823 0.012 0.000 0.662 116 V HN 0.236 nan 8.190 nan 0.000 0.455 117 L N 0.036 121.265 121.223 0.011 0.000 2.362 117 L HA -0.000 4.340 4.340 -0.000 0.000 0.219 117 L C 1.341 178.222 176.870 0.018 0.000 1.134 117 L CA 1.276 56.122 54.840 0.010 0.000 0.807 117 L CB -0.969 41.090 42.059 0.001 0.000 0.927 117 L HN 0.427 nan 8.230 nan 0.000 0.447 118 K N -0.470 119.943 120.400 0.022 0.000 3.125 118 K HA -0.197 4.123 4.320 -0.000 0.000 0.268 118 K C -0.295 176.334 176.600 0.050 0.000 1.078 118 K CA 0.151 56.459 56.287 0.035 0.000 0.775 118 K CB -2.075 30.446 32.500 0.036 0.000 1.253 118 K HN 0.225 nan 8.250 nan 0.000 0.486 119 L N 1.293 122.535 121.223 0.031 0.000 2.433 119 L HA 0.050 4.390 4.340 -0.000 0.000 0.275 119 L C 0.805 177.724 176.870 0.082 0.000 1.128 119 L CA -0.179 54.678 54.840 0.029 0.000 0.875 119 L CB 0.293 42.316 42.059 -0.061 0.000 1.171 119 L HN 0.110 nan 8.230 nan 0.000 0.463 120 D N 3.885 124.401 120.400 0.194 0.000 2.435 120 D HA 0.069 4.709 4.640 -0.000 0.000 0.230 120 D C 0.711 177.133 176.300 0.203 0.000 1.215 120 D CA -0.238 53.865 54.000 0.171 0.000 0.947 120 D CB 0.952 41.833 40.800 0.135 0.000 1.048 120 D HN 0.275 nan 8.370 nan 0.000 0.512 121 L N 2.842 124.134 121.223 0.115 0.000 2.270 121 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 121 L C 1.719 178.646 176.870 0.094 0.000 1.104 121 L CA 0.915 55.812 54.840 0.095 0.000 0.804 121 L CB -0.386 41.701 42.059 0.046 0.000 0.937 121 L HN 0.284 nan 8.230 nan 0.000 0.450 122 D N -0.469 119.984 120.400 0.088 0.000 2.092 122 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 122 D C 2.275 178.611 176.300 0.059 0.000 0.994 122 D CA 1.018 55.064 54.000 0.077 0.000 0.828 122 D CB -0.077 40.766 40.800 0.072 0.000 0.963 122 D HN 0.184 nan 8.370 nan 0.000 0.450 123 R N 0.576 121.109 120.500 0.055 0.000 2.091 123 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 123 R C 2.135 178.454 176.300 0.032 0.000 1.136 123 R CA 1.518 57.631 56.100 0.022 0.000 0.959 123 R CB -0.187 30.102 30.300 -0.019 0.000 0.856 123 R HN 0.131 nan 8.270 nan 0.000 0.437 124 A N 0.598 123.479 122.820 0.101 0.000 1.902 124 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 124 A C 2.337 179.958 177.584 0.062 0.000 1.181 124 A CA 1.733 53.845 52.037 0.125 0.000 0.623 124 A CB -0.737 18.379 19.000 0.193 0.000 0.818 124 A HN 0.538 nan 8.150 nan 0.000 0.443 125 A N -0.699 122.147 122.820 0.044 0.000 1.902 125 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 125 A C 2.035 179.599 177.584 -0.033 0.000 1.181 125 A CA 1.688 53.725 52.037 0.000 0.000 0.623 125 A CB -0.412 18.595 19.000 0.013 0.000 0.818 125 A HN 0.492 nan 8.150 nan 0.000 0.443 126 E N -0.614 119.575 120.200 -0.018 0.000 2.072 126 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 126 E C 2.281 178.864 176.600 -0.028 0.000 0.982 126 E CA 0.807 57.188 56.400 -0.032 0.000 0.803 126 E CB -0.301 29.387 29.700 -0.020 0.000 0.755 126 E HN 0.618 nan 8.360 nan 0.000 0.453 127 R N 0.764 121.255 120.500 -0.014 0.000 2.080 127 R HA -0.119 4.221 4.340 -0.000 0.000 0.236 127 R C 2.506 178.801 176.300 -0.008 0.000 1.137 127 R CA 1.135 57.226 56.100 -0.015 0.000 0.943 127 R CB -0.327 29.968 30.300 -0.007 0.000 0.846 127 R HN 0.141 nan 8.270 nan 0.000 0.431 128 L N 0.713 121.949 121.223 0.021 0.000 2.156 128 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 128 L C 2.582 179.503 176.870 0.085 0.000 1.095 128 L CA 1.372 56.261 54.840 0.081 0.000 0.770 128 L CB -0.269 41.853 42.059 0.105 0.000 0.914 128 L HN 0.358 nan 8.230 nan 0.000 0.439 129 S N -0.724 114.972 115.700 -0.008 0.000 2.461 129 S HA -0.041 4.428 4.470 -0.000 0.000 0.228 129 S C 2.007 176.584 174.600 -0.038 0.000 1.005 129 S CA 0.640 58.812 58.200 -0.046 0.000 0.942 129 S CB -0.492 62.617 63.200 -0.151 0.000 0.776 129 S HN 0.392 nan 8.310 nan 0.000 0.514 130 G N 1.709 110.483 108.800 -0.043 0.000 2.402 130 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.216 130 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.216 130 G C 1.262 176.119 174.900 -0.073 0.000 1.162 130 G CA 0.654 45.724 45.100 -0.050 0.000 0.777 130 G HN 0.448 nan 8.290 nan 0.000 0.539 131 L N 0.039 121.198 121.223 -0.107 0.000 2.291 131 L HA 0.127 4.467 4.340 -0.000 0.000 0.214 131 L C 1.678 178.311 176.870 -0.394 0.000 1.120 131 L CA 1.072 55.763 54.840 -0.249 0.000 0.799 131 L CB -0.278 41.594 42.059 -0.311 0.000 0.925 131 L HN 0.321 nan 8.230 nan 0.000 0.446 132 H N -1.870 117.179 119.070 -0.035 0.000 2.662 132 H HA 0.457 5.013 4.556 -0.000 0.000 0.268 132 H C 0.531 175.851 175.328 -0.013 0.000 1.152 132 H CA 0.120 56.155 56.048 -0.022 0.000 1.072 132 H CB 0.283 30.029 29.762 -0.027 0.000 1.660 132 H HN 0.154 nan 8.280 nan 0.000 0.584 133 A N 2.440 125.286 122.820 0.042 0.000 2.386 133 A HA 0.286 4.606 4.320 -0.000 0.000 0.248 133 A C -0.927 176.679 177.584 0.036 0.000 1.082 133 A CA -0.845 51.206 52.037 0.022 0.000 0.789 133 A CB 0.369 19.361 19.000 -0.013 0.000 1.025 133 A HN 0.119 nan 8.150 nan 0.000 0.490 134 P HA 0.107 nan 4.420 nan 0.000 0.261 134 P C 0.631 177.961 177.300 0.051 0.000 1.268 134 P CA 0.539 63.658 63.100 0.032 0.000 0.833 134 P CB 0.100 31.814 31.700 0.024 0.000 1.231 135 H N 0.696 119.766 119.070 -0.000 0.000 2.357 135 H HA 0.054 4.610 4.556 -0.000 0.000 0.301 135 H C 0.364 175.683 175.328 -0.014 0.000 1.082 135 H CA 1.225 57.273 56.048 -0.001 0.000 1.342 135 H CB 0.065 29.831 29.762 0.008 0.000 1.389 135 H HN -0.021 nan 8.280 nan 0.000 0.511 136 V N 0.788 120.700 119.914 -0.003 0.000 2.531 136 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 136 V C -0.767 175.258 176.094 -0.114 0.000 1.034 136 V CA -1.050 61.192 62.300 -0.097 0.000 0.865 136 V CB 1.427 33.199 31.823 -0.086 0.000 0.995 136 V HN 0.344 nan 8.190 nan 0.000 0.424 137 R N 4.643 125.027 120.500 -0.193 0.000 2.349 137 R HA 0.726 5.066 4.340 -0.000 0.000 0.299 137 R C -0.797 175.208 176.300 -0.492 0.000 1.027 137 R CA -0.045 55.849 56.100 -0.343 0.000 0.958 137 R CB 1.711 31.765 30.300 -0.411 0.000 1.047 137 R HN 0.966 nan 8.270 nan 0.000 0.468 138 V N 3.901 123.512 119.914 -0.505 0.000 2.555 138 V HA 0.585 4.705 4.120 -0.000 0.000 0.302 138 V C -1.496 174.280 176.094 -0.530 0.000 1.038 138 V CA -0.532 61.509 62.300 -0.431 0.000 0.887 138 V CB 1.215 32.926 31.823 -0.187 0.000 0.991 138 V HN 0.781 nan 8.190 nan 0.000 0.434 139 Y N 2.941 123.085 120.300 -0.259 0.000 2.621 139 Y HA 0.803 5.353 4.550 -0.000 0.000 0.334 139 Y C 0.539 176.466 175.900 0.044 0.000 1.074 139 Y CA -0.573 57.459 58.100 -0.114 0.000 1.149 139 Y CB 2.240 40.597 38.460 -0.172 0.000 1.302 139 Y HN 0.810 nan 8.280 nan 0.000 0.501 140 S N 1.235 117.129 115.700 0.323 0.000 2.571 140 S HA 0.719 5.189 4.470 -0.000 0.000 0.284 140 S C -1.752 173.059 174.600 0.351 0.000 1.128 140 S CA -0.470 57.880 58.200 0.250 0.000 0.970 140 S CB 0.379 63.664 63.200 0.142 0.000 1.039 140 S HN 0.615 nan 8.310 nan 0.000 0.485 141 Y N 0.213 120.627 120.300 0.190 0.000 2.625 141 Y HA 0.729 5.279 4.550 -0.000 0.000 0.338 141 Y C -0.462 175.494 175.900 0.094 0.000 1.123 141 Y CA -1.022 57.158 58.100 0.134 0.000 1.046 141 Y CB 1.096 39.636 38.460 0.134 0.000 1.299 141 Y HN 0.463 nan 8.280 nan 0.000 0.464 142 T N 0.744 115.416 114.554 0.198 0.000 2.806 142 T HA 0.525 4.875 4.350 -0.000 0.000 0.290 142 T C 0.517 175.305 174.700 0.148 0.000 0.966 142 T CA 0.170 62.319 62.100 0.082 0.000 1.060 142 T CB 0.310 69.225 68.868 0.078 0.000 0.927 142 T HN 1.115 nan 8.240 nan 0.000 0.485 143 G N 2.824 111.638 108.800 0.023 0.000 3.863 143 G HA2 0.288 4.248 3.960 -0.000 0.000 0.290 143 G HA3 0.288 4.248 3.960 -0.000 0.000 0.290 143 G C 0.383 175.295 174.900 0.021 0.000 1.018 143 G CA -0.204 44.926 45.100 0.050 0.000 0.824 143 G HN 0.870 nan 8.290 nan 0.000 0.507 144 S N -0.695 115.019 115.700 0.023 0.000 2.585 144 S HA 0.449 4.919 4.470 -0.000 0.000 0.273 144 S C 1.700 176.324 174.600 0.039 0.000 1.339 144 S CA 0.287 58.501 58.200 0.022 0.000 1.028 144 S CB 1.751 64.962 63.200 0.019 0.000 0.906 144 S HN 0.268 nan 8.310 nan 0.000 0.528 145 G N 0.978 109.803 108.800 0.041 0.000 2.448 145 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 145 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 145 G C 1.153 176.079 174.900 0.044 0.000 1.127 145 G CA 0.589 45.719 45.100 0.050 0.000 0.766 145 G HN 0.709 nan 8.290 nan 0.000 0.552 146 L N 0.001 121.245 121.223 0.035 0.000 2.131 146 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 146 L C 1.943 178.833 176.870 0.033 0.000 1.092 146 L CA 1.182 56.042 54.840 0.032 0.000 0.759 146 L CB -0.153 41.922 42.059 0.028 0.000 0.903 146 L HN 0.103 nan 8.230 nan 0.000 0.435 147 D N -1.594 118.826 120.400 0.034 0.000 2.470 147 D HA 0.063 4.703 4.640 -0.000 0.000 0.238 147 D C 0.804 177.118 176.300 0.023 0.000 1.054 147 D CA 0.795 54.811 54.000 0.027 0.000 0.896 147 D CB 0.737 41.557 40.800 0.034 0.000 1.118 147 D HN 0.283 nan 8.370 nan 0.000 0.497 148 T N -1.854 112.725 114.554 0.041 0.000 2.903 148 T HA 0.624 4.974 4.350 -0.000 0.000 0.299 148 T C -0.606 174.144 174.700 0.083 0.000 1.093 148 T CA -0.663 61.465 62.100 0.048 0.000 1.002 148 T CB 2.356 71.255 68.868 0.053 0.000 1.127 148 T HN -0.277 nan 8.240 nan 0.000 0.488 149 T N 3.246 117.864 114.554 0.107 0.000 2.791 149 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 149 T C 0.236 175.091 174.700 0.257 0.000 0.999 149 T CA -0.479 61.728 62.100 0.178 0.000 0.952 149 T CB 0.314 69.288 68.868 0.177 0.000 0.938 149 T HN 0.813 nan 8.240 nan 0.000 0.444 150 F N 2.126 122.140 119.950 0.108 0.000 2.478 150 F HA -0.442 4.085 4.527 -0.000 0.000 0.218 150 F C 2.408 178.235 175.800 0.046 0.000 1.459 150 F CA 2.261 60.342 58.000 0.134 0.000 2.000 150 F CB -1.057 38.069 39.000 0.211 0.000 0.456 150 F HN 0.623 nan 8.300 nan 0.000 0.231 151 T N -0.783 113.582 114.554 -0.314 0.000 2.929 151 T HA -0.213 4.137 4.350 -0.000 0.000 0.271 151 T C 1.286 175.679 174.700 -0.512 0.000 1.085 151 T CA 1.675 63.340 62.100 -0.725 0.000 1.125 151 T CB -0.496 67.386 68.868 -1.644 0.000 0.874 151 T HN 0.676 nan 8.240 nan 0.000 0.494 152 Q N 0.694 120.391 119.800 -0.171 0.000 2.364 152 Q HA 0.014 4.354 4.340 -0.000 0.000 0.209 152 Q C 2.568 178.548 176.000 -0.033 0.000 0.977 152 Q CA 1.024 56.815 55.803 -0.020 0.000 0.885 152 Q CB -0.500 28.251 28.738 0.023 0.000 0.941 152 Q HN 0.778 nan 8.270 nan 0.000 0.464 153 G N 0.797 109.547 108.800 -0.083 0.000 2.443 153 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 153 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 153 G C 1.148 175.907 174.900 -0.234 0.000 1.131 153 G CA 0.641 45.685 45.100 -0.093 0.000 0.775 153 G HN 0.401 nan 8.290 nan 0.000 0.547 154 E N 0.371 120.443 120.200 -0.214 0.000 2.072 154 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 154 E C 1.972 178.526 176.600 -0.076 0.000 0.985 154 E CA 1.145 57.462 56.400 -0.138 0.000 0.801 154 E CB -0.137 29.681 29.700 0.197 0.000 0.750 154 E HN 0.289 nan 8.360 nan 0.000 0.452 155 D N -0.165 120.266 120.400 0.051 0.000 2.104 155 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 155 D C 2.055 178.313 176.300 -0.069 0.000 0.994 155 D CA 2.471 56.502 54.000 0.052 0.000 0.830 155 D CB -0.360 40.522 40.800 0.137 0.000 0.959 155 D HN 0.347 nan 8.370 nan 0.000 0.452 156 T N -1.966 112.525 114.554 -0.105 0.000 2.915 156 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 156 T C 2.469 176.947 174.700 -0.370 0.000 1.071 156 T CA 1.190 63.229 62.100 -0.101 0.000 1.132 156 T CB -1.116 67.801 68.868 0.082 0.000 0.878 156 T HN 0.327 nan 8.240 nan 0.000 0.479 157 C N 1.185 119.992 119.300 -0.822 0.000 2.473 157 C HA 0.171 4.630 4.460 -0.000 0.000 0.279 157 C C 2.654 177.365 174.990 -0.465 0.000 1.250 157 C CA 0.289 58.603 59.018 -1.173 0.000 1.713 157 C CB -1.552 25.450 27.740 -1.230 0.000 2.066 157 C HN 0.634 nan 8.230 nan 0.000 0.474 158 L N 1.570 122.607 121.223 -0.309 0.000 2.012 158 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 158 L C 3.106 179.906 176.870 -0.117 0.000 1.073 158 L CA 1.826 56.565 54.840 -0.169 0.000 0.748 158 L CB -1.087 40.906 42.059 -0.110 0.000 0.891 158 L HN 0.488 nan 8.230 nan 0.000 0.431 159 A N 0.236 122.997 122.820 -0.097 0.000 1.940 159 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 159 A C 2.506 180.088 177.584 -0.002 0.000 1.176 159 A CA 1.847 53.857 52.037 -0.045 0.000 0.631 159 A CB -0.634 18.355 19.000 -0.019 0.000 0.814 159 A HN 0.435 nan 8.150 nan 0.000 0.446 160 A N -0.983 121.845 122.820 0.014 0.000 2.015 160 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 160 A C 2.144 179.797 177.584 0.115 0.000 1.163 160 A CA 1.510 53.620 52.037 0.122 0.000 0.646 160 A CB -0.450 18.701 19.000 0.251 0.000 0.806 160 A HN 0.541 nan 8.150 nan 0.000 0.448 161 M N -0.986 118.592 119.600 -0.036 0.000 2.419 161 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 161 M C 1.901 178.222 176.300 0.034 0.000 1.082 161 M CA 0.637 55.879 55.300 -0.098 0.000 1.119 161 M CB -0.116 32.366 32.600 -0.197 0.000 1.398 161 M HN 0.241 nan 8.290 nan 0.000 0.453 162 V N 1.110 121.029 119.914 0.009 0.000 2.295 162 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 162 V C -0.699 175.411 176.094 0.027 0.000 1.049 162 V CA 1.870 64.167 62.300 -0.005 0.000 1.024 162 V CB -1.866 29.927 31.823 -0.050 0.000 0.648 162 V HN 0.286 nan 8.190 nan 0.000 0.447 163 P HA -0.096 nan 4.420 nan 0.000 0.225 163 P C 1.569 178.906 177.300 0.062 0.000 1.148 163 P CA 1.373 64.504 63.100 0.052 0.000 0.779 163 P CB -0.092 31.645 31.700 0.061 0.000 0.780 164 T N -1.298 113.315 114.554 0.098 0.000 3.065 164 T HA 0.158 4.508 4.350 -0.000 0.000 0.252 164 T C 0.657 175.406 174.700 0.082 0.000 1.099 164 T CA -0.103 62.062 62.100 0.108 0.000 1.063 164 T CB -0.476 68.529 68.868 0.227 0.000 0.948 164 T HN -0.064 nan 8.240 nan 0.000 0.506 165 L N 2.375 123.636 121.223 0.063 0.000 2.456 165 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 165 L C 0.403 177.293 176.870 0.032 0.000 1.189 165 L CA -0.659 54.207 54.840 0.043 0.000 0.846 165 L CB 0.302 42.374 42.059 0.022 0.000 1.111 165 L HN 0.136 nan 8.230 nan 0.000 0.475 166 D N 0.907 121.324 120.400 0.029 0.000 2.478 166 D HA -0.021 4.619 4.640 -0.000 0.000 0.234 166 D C 0.400 176.713 176.300 0.020 0.000 1.154 166 D CA 0.315 54.329 54.000 0.023 0.000 0.874 166 D CB 0.724 41.536 40.800 0.021 0.000 1.198 166 D HN 0.525 nan 8.370 nan 0.000 0.455 167 T N -0.332 114.234 114.554 0.018 0.000 2.913 167 T HA 0.475 4.825 4.350 -0.000 0.000 0.287 167 T C -0.184 174.527 174.700 0.019 0.000 1.008 167 T CA -0.294 61.817 62.100 0.018 0.000 1.067 167 T CB 1.211 70.089 68.868 0.017 0.000 0.996 167 T HN 0.283 nan 8.240 nan 0.000 0.513 168 T N 1.565 116.131 114.554 0.021 0.000 2.889 168 T HA 0.344 4.694 4.350 -0.000 0.000 0.315 168 T C 0.239 174.952 174.700 0.022 0.000 1.291 168 T CA -0.566 61.547 62.100 0.021 0.000 1.028 168 T CB 1.975 70.858 68.868 0.025 0.000 1.235 168 T HN 0.843 nan 8.240 nan 0.000 0.491 169 E N 1.613 121.825 120.200 0.020 0.000 2.447 169 E HA 0.378 4.728 4.350 -0.000 0.000 0.195 169 E C 0.811 177.424 176.600 0.022 0.000 1.028 169 E CA 0.001 56.411 56.400 0.018 0.000 0.876 169 E CB 0.113 29.822 29.700 0.014 0.000 0.885 169 E HN 0.773 nan 8.360 nan 0.000 0.500 170 A N 0.914 123.750 122.820 0.026 0.000 2.561 170 A HA 0.276 4.596 4.320 -0.000 0.000 0.234 170 A C 0.385 177.995 177.584 0.043 0.000 1.055 170 A CA 0.693 52.750 52.037 0.033 0.000 0.756 170 A CB 0.227 19.248 19.000 0.035 0.000 0.986 170 A HN 0.296 nan 8.150 nan 0.000 0.505 171 A N 3.322 126.172 122.820 0.050 0.000 3.016 171 A HA 0.495 4.815 4.320 -0.000 0.000 0.303 171 A C 0.209 177.870 177.584 0.129 0.000 1.507 171 A CA -0.343 51.732 52.037 0.064 0.000 1.196 171 A CB -0.363 18.656 19.000 0.031 0.000 1.169 171 A HN 0.847 nan 8.150 nan 0.000 0.544 172 E N 0.555 120.829 120.200 0.122 0.000 2.249 172 E HA 0.502 4.852 4.350 -0.000 0.000 0.263 172 E C -0.977 175.722 176.600 0.166 0.000 0.950 172 E CA -0.856 55.625 56.400 0.134 0.000 0.827 172 E CB 2.018 31.762 29.700 0.074 0.000 1.220 172 E HN 0.490 nan 8.360 nan 0.000 0.411 173 L N 2.731 124.028 121.223 0.122 0.000 2.289 173 L HA 0.469 4.809 4.340 -0.000 0.000 0.285 173 L C -1.013 175.908 176.870 0.085 0.000 1.049 173 L CA -0.476 54.430 54.840 0.109 0.000 0.804 173 L CB 0.618 42.662 42.059 -0.025 0.000 1.195 173 L HN 0.486 nan 8.230 nan 0.000 0.428 174 I N 5.030 125.678 120.570 0.130 0.000 2.378 174 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 174 I C -0.292 175.918 176.117 0.156 0.000 0.992 174 I CA -0.743 60.631 61.300 0.124 0.000 1.154 174 I CB 1.942 40.012 38.000 0.117 0.000 1.315 174 I HN 0.203 nan 8.210 nan 0.000 0.448 175 V N 7.392 127.388 119.914 0.135 0.000 2.383 175 V HA 0.264 4.384 4.120 -0.000 0.000 0.275 175 V C 0.138 176.320 176.094 0.147 0.000 1.036 175 V CA -0.541 61.878 62.300 0.197 0.000 0.889 175 V CB 1.508 33.474 31.823 0.239 0.000 0.985 175 V HN 0.409 nan 8.190 nan 0.000 0.459 176 V N 3.672 123.689 119.914 0.172 0.000 2.435 176 V HA 0.979 5.099 4.120 -0.000 0.000 0.290 176 V C 0.498 176.617 176.094 0.042 0.000 1.030 176 V CA -0.006 62.350 62.300 0.094 0.000 0.881 176 V CB 0.960 32.845 31.823 0.103 0.000 0.983 176 V HN 1.230 nan 8.190 nan 0.000 0.445 177 G N 3.206 112.002 108.800 -0.007 0.000 2.801 177 G HA2 0.444 4.404 3.960 -0.000 0.000 0.648 177 G HA3 0.444 4.404 3.960 -0.000 0.000 0.648 177 G C -0.489 174.382 174.900 -0.048 0.000 1.415 177 G CA -0.446 44.621 45.100 -0.055 0.000 0.887 177 G HN 1.393 nan 8.290 nan 0.000 0.627 178 A N 2.396 125.221 122.820 0.008 0.000 2.438 178 A HA 0.668 4.988 4.320 -0.000 0.000 0.280 178 A C 0.600 178.129 177.584 -0.092 0.000 1.160 178 A CA 0.240 52.279 52.037 0.003 0.000 0.821 178 A CB -0.076 18.994 19.000 0.117 0.000 1.101 178 A HN 1.066 nan 8.150 nan 0.000 0.515 179 L N 3.836 124.982 121.223 -0.128 0.000 2.330 179 L HA 0.453 4.793 4.340 -0.000 0.000 0.271 179 L C -2.149 174.643 176.870 -0.129 0.000 1.013 179 L CA -2.385 52.344 54.840 -0.185 0.000 0.816 179 L CB 1.684 43.607 42.059 -0.226 0.000 1.287 179 L HN 0.389 nan 8.230 nan 0.000 0.435 180 P HA -0.020 nan 4.420 nan 0.000 0.265 180 P C -0.282 176.972 177.300 -0.078 0.000 1.187 180 P CA 0.013 63.059 63.100 -0.090 0.000 0.766 180 P CB 0.539 32.197 31.700 -0.070 0.000 0.820 181 D N 1.314 121.678 120.400 -0.060 0.000 2.149 181 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 181 D C 1.831 178.093 176.300 -0.063 0.000 1.001 181 D CA 1.251 55.218 54.000 -0.055 0.000 0.849 181 D CB -0.476 40.303 40.800 -0.035 0.000 0.939 181 D HN 0.058 nan 8.370 nan 0.000 0.449 182 V N 0.077 119.959 119.914 -0.053 0.000 2.407 182 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 182 V C 2.494 178.540 176.094 -0.080 0.000 1.055 182 V CA 0.984 63.254 62.300 -0.052 0.000 1.049 182 V CB -0.291 31.516 31.823 -0.027 0.000 0.662 182 V HN 0.093 nan 8.190 nan 0.000 0.455 183 V N -0.043 119.820 119.914 -0.085 0.000 2.358 183 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 183 V C 2.449 178.388 176.094 -0.258 0.000 1.047 183 V CA 2.220 64.446 62.300 -0.123 0.000 1.035 183 V CB -0.567 31.229 31.823 -0.045 0.000 0.658 183 V HN 0.677 nan 8.190 nan 0.000 0.452 184 E N 0.179 120.260 120.200 -0.199 0.000 2.077 184 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 184 E C 1.806 178.285 176.600 -0.202 0.000 0.989 184 E CA 1.689 57.965 56.400 -0.206 0.000 0.800 184 E CB -0.085 29.539 29.700 -0.126 0.000 0.746 184 E HN 0.598 nan 8.360 nan 0.000 0.452 185 D N 0.450 120.758 120.400 -0.153 0.000 2.117 185 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 185 D C 2.072 178.277 176.300 -0.159 0.000 0.987 185 D CA 1.012 54.937 54.000 -0.125 0.000 0.829 185 D CB -0.283 40.467 40.800 -0.083 0.000 0.961 185 D HN 0.333 nan 8.370 nan 0.000 0.460 186 Q N -0.078 119.603 119.800 -0.199 0.000 2.050 186 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 186 Q C 2.454 178.243 176.000 -0.352 0.000 0.980 186 Q CA 1.221 56.892 55.803 -0.220 0.000 0.840 186 Q CB -0.325 28.293 28.738 -0.200 0.000 0.898 186 Q HN 0.336 nan 8.270 nan 0.000 0.424 187 C N 0.353 119.273 119.300 -0.634 0.000 2.413 187 C HA -0.137 4.322 4.460 -0.000 0.000 0.277 187 C C 2.478 177.287 174.990 -0.302 0.000 1.228 187 C CA 0.663 59.207 59.018 -0.791 0.000 1.731 187 C CB -0.994 26.095 27.740 -1.085 0.000 2.042 187 C HN 0.516 nan 8.230 nan 0.000 0.468 188 L N 1.174 122.265 121.223 -0.221 0.000 2.079 188 L HA -0.053 4.286 4.340 -0.000 0.000 0.210 188 L C 2.859 179.676 176.870 -0.089 0.000 1.081 188 L CA 2.437 57.208 54.840 -0.116 0.000 0.752 188 L CB -1.213 40.787 42.059 -0.099 0.000 0.896 188 L HN 0.539 nan 8.230 nan 0.000 0.433 189 S N -1.255 114.386 115.700 -0.099 0.000 2.355 189 S HA -0.124 4.345 4.470 -0.000 0.000 0.222 189 S C 2.059 176.634 174.600 -0.042 0.000 1.031 189 S CA 1.217 59.378 58.200 -0.064 0.000 0.993 189 S CB -0.224 62.939 63.200 -0.061 0.000 0.859 189 S HN 0.434 nan 8.310 nan 0.000 0.453 190 L N 0.951 122.148 121.223 -0.044 0.000 2.046 190 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 190 L C 2.363 179.252 176.870 0.032 0.000 1.077 190 L CA 1.046 55.894 54.840 0.013 0.000 0.747 190 L CB -0.423 41.669 42.059 0.055 0.000 0.896 190 L HN 0.339 nan 8.230 nan 0.000 0.432 191 L N -1.249 119.984 121.223 0.016 0.000 2.156 191 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 191 L C 2.539 179.390 176.870 -0.032 0.000 1.095 191 L CA 1.125 55.968 54.840 0.006 0.000 0.770 191 L CB -0.750 41.303 42.059 -0.009 0.000 0.914 191 L HN 0.230 nan 8.230 nan 0.000 0.439 192 T N -0.938 113.595 114.554 -0.034 0.000 2.821 192 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 192 T C 1.885 176.574 174.700 -0.018 0.000 1.046 192 T CA 1.189 63.269 62.100 -0.034 0.000 1.139 192 T CB -0.133 68.715 68.868 -0.033 0.000 0.871 192 T HN 0.370 nan 8.240 nan 0.000 0.454 193 Q N 0.311 120.106 119.800 -0.009 0.000 2.167 193 Q HA 0.077 4.417 4.340 -0.000 0.000 0.202 193 Q C 2.098 178.106 176.000 0.012 0.000 0.970 193 Q CA 0.913 56.715 55.803 -0.001 0.000 0.855 193 Q CB -0.293 28.444 28.738 -0.002 0.000 0.911 193 Q HN 0.465 nan 8.270 nan 0.000 0.438 194 L N -1.064 120.175 121.223 0.026 0.000 2.478 194 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 194 L C 1.223 178.114 176.870 0.035 0.000 1.140 194 L CA 0.551 55.424 54.840 0.055 0.000 0.842 194 L CB -0.018 42.102 42.059 0.101 0.000 0.953 194 L HN 0.442 nan 8.230 nan 0.000 0.452 195 G N 0.365 109.167 108.800 0.004 0.000 2.157 195 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 195 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 195 G C 0.264 175.141 174.900 -0.038 0.000 0.979 195 G CA 0.161 45.258 45.100 -0.004 0.000 0.650 195 G HN 0.248 nan 8.290 nan 0.000 0.529 196 V N -0.447 119.406 119.914 -0.101 0.000 2.465 196 V HA 0.951 5.071 4.120 -0.000 0.000 0.279 196 V C 0.519 176.469 176.094 -0.240 0.000 1.045 196 V CA 1.013 63.147 62.300 -0.276 0.000 0.938 196 V CB 1.409 32.930 31.823 -0.504 0.000 0.986 196 V HN 1.958 nan 8.190 nan 0.000 0.467 197 G N 4.959 113.615 108.800 -0.240 0.000 2.328 197 G HA2 0.516 4.476 3.960 -0.000 0.000 0.295 197 G HA3 0.516 4.476 3.960 -0.000 0.000 0.295 197 G C -3.323 171.546 174.900 -0.052 0.000 1.413 197 G CA -0.376 44.646 45.100 -0.130 0.000 0.817 197 G HN 0.835 nan 8.290 nan 0.000 0.546 198 P HA 0.553 nan 4.420 nan 0.000 0.276 198 P C -0.587 176.691 177.300 -0.037 0.000 1.244 198 P CA -0.502 62.580 63.100 -0.030 0.000 0.801 198 P CB 1.851 33.547 31.700 -0.007 0.000 1.006 199 V N 2.366 122.256 119.914 -0.041 0.000 2.680 199 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 199 V C -0.860 175.230 176.094 -0.007 0.000 1.052 199 V CA -0.769 61.512 62.300 -0.031 0.000 0.908 199 V CB 1.853 33.643 31.823 -0.055 0.000 1.001 199 V HN 0.504 nan 8.190 nan 0.000 0.431 200 R N 6.258 126.766 120.500 0.012 0.000 2.837 200 R HA 0.667 5.007 4.340 -0.000 0.000 0.271 200 R C -1.211 175.105 176.300 0.026 0.000 0.993 200 R CA -0.932 55.177 56.100 0.016 0.000 0.931 200 R CB 2.032 32.344 30.300 0.020 0.000 1.206 200 R HN 0.691 nan 8.270 nan 0.000 0.474 201 M N 2.018 121.628 119.600 0.016 0.000 2.336 201 M HA 0.415 4.895 4.480 -0.000 0.000 0.342 201 M C -0.602 175.706 176.300 0.014 0.000 1.128 201 M CA -1.141 54.170 55.300 0.018 0.000 1.016 201 M CB 1.296 33.896 32.600 -0.000 0.000 1.665 201 M HN 0.340 nan 8.290 nan 0.000 0.445 202 L N 6.517 127.748 121.223 0.014 0.000 2.316 202 L HA 0.616 4.956 4.340 -0.000 0.000 0.280 202 L C -2.392 174.474 176.870 -0.006 0.000 1.006 202 L CA -1.371 53.467 54.840 -0.003 0.000 0.836 202 L CB 1.519 43.565 42.059 -0.022 0.000 1.221 202 L HN 0.369 nan 8.230 nan 0.000 0.418 203 P HA 0.337 nan 4.420 nan 0.000 0.276 203 P C -0.999 176.306 177.300 0.009 0.000 1.244 203 P CA -0.508 62.592 63.100 -0.001 0.000 0.801 203 P CB 1.215 32.916 31.700 0.001 0.000 1.006 204 A N 2.573 125.404 122.820 0.017 0.000 2.272 204 A HA 0.258 4.578 4.320 -0.000 0.000 0.275 204 A C 1.556 179.156 177.584 0.026 0.000 1.096 204 A CA -0.437 51.611 52.037 0.018 0.000 0.822 204 A CB 0.115 19.128 19.000 0.021 0.000 1.088 204 A HN 0.485 nan 8.150 nan 0.000 0.495 205 R N -0.562 119.951 120.500 0.021 0.000 2.115 205 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 205 R C 0.200 176.525 176.300 0.042 0.000 1.111 205 R CA 1.044 57.160 56.100 0.027 0.000 0.976 205 R CB -0.028 30.281 30.300 0.016 0.000 0.870 205 R HN 0.639 nan 8.270 nan 0.000 0.445 206 R N -1.130 119.393 120.500 0.040 0.000 2.837 206 R HA 0.155 4.495 4.340 -0.000 0.000 0.271 206 R C 0.834 177.161 176.300 0.046 0.000 0.993 206 R CA -0.152 55.975 56.100 0.044 0.000 0.931 206 R CB 1.608 31.928 30.300 0.033 0.000 1.206 206 R HN -0.016 nan 8.270 nan 0.000 0.474 207 S N -0.394 115.335 115.700 0.047 0.000 2.453 207 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 207 S C 1.056 175.677 174.600 0.035 0.000 1.005 207 S CA 1.359 59.590 58.200 0.050 0.000 0.949 207 S CB -0.121 63.105 63.200 0.044 0.000 0.774 207 S HN 0.763 nan 8.310 nan 0.000 0.510 208 D N 2.162 122.575 120.400 0.023 0.000 2.349 208 D HA 0.005 4.645 4.640 -0.000 0.000 0.215 208 D C 1.268 177.580 176.300 0.020 0.000 1.016 208 D CA 0.128 54.138 54.000 0.017 0.000 0.870 208 D CB -0.440 40.366 40.800 0.010 0.000 0.917 208 D HN 0.774 nan 8.370 nan 0.000 0.524 209 I N -2.327 118.256 120.570 0.023 0.000 3.569 209 I HA 0.315 4.485 4.170 -0.000 0.000 0.334 209 I C -0.392 175.738 176.117 0.022 0.000 1.570 209 I CA -0.775 60.537 61.300 0.020 0.000 1.082 209 I CB 0.181 38.191 38.000 0.016 0.000 1.323 209 I HN -0.362 nan 8.210 nan 0.000 0.489 210 E N 4.063 124.279 120.200 0.027 0.000 2.398 210 E HA 0.229 4.579 4.350 -0.000 0.000 0.263 210 E C -2.071 174.542 176.600 0.022 0.000 1.046 210 E CA -1.385 55.031 56.400 0.026 0.000 0.908 210 E CB 0.187 29.907 29.700 0.034 0.000 0.963 210 E HN 0.251 nan 8.360 nan 0.000 0.431 211 P HA 0.109 nan 4.420 nan 0.000 0.272 211 P C -0.770 176.541 177.300 0.019 0.000 1.223 211 P CA -0.198 62.913 63.100 0.019 0.000 0.784 211 P CB 0.662 32.374 31.700 0.019 0.000 0.923 212 A N 2.246 125.079 122.820 0.022 0.000 2.287 212 A HA 0.572 4.892 4.320 -0.000 0.000 0.273 212 A C -0.255 177.342 177.584 0.022 0.000 1.091 212 A CA -0.417 51.633 52.037 0.022 0.000 0.817 212 A CB 0.429 19.443 19.000 0.023 0.000 1.069 212 A HN 0.370 nan 8.150 nan 0.000 0.492 213 V N -0.177 119.748 119.914 0.019 0.000 2.876 213 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 213 V C 0.493 176.602 176.094 0.026 0.000 1.085 213 V CA 0.138 62.450 62.300 0.020 0.000 0.945 213 V CB 1.550 33.372 31.823 -0.002 0.000 1.017 213 V HN 1.544 nan 8.190 nan 0.000 0.428 214 G N 2.089 110.911 108.800 0.036 0.000 2.606 214 G HA2 0.608 4.567 3.960 -0.000 0.000 0.300 214 G HA3 0.608 4.567 3.960 -0.000 0.000 0.300 214 G C -2.750 172.174 174.900 0.040 0.000 1.360 214 G CA -0.615 44.505 45.100 0.033 0.000 0.783 214 G HN 0.411 nan 8.290 nan 0.000 0.484 215 P HA -0.013 nan 4.420 nan 0.000 0.234 215 P C 0.474 177.788 177.300 0.023 0.000 1.167 215 P CA 0.860 63.977 63.100 0.028 0.000 0.763 215 P CB 0.099 31.810 31.700 0.018 0.000 0.835 216 N N -1.691 117.023 118.700 0.024 0.000 2.184 216 N HA 0.057 4.797 4.740 -0.000 0.000 0.206 216 N C -0.228 175.299 175.510 0.029 0.000 1.151 216 N CA -0.057 53.000 53.050 0.012 0.000 0.878 216 N CB 0.206 38.697 38.487 0.006 0.000 1.014 216 N HN -0.080 nan 8.380 nan 0.000 0.512 217 T N 1.799 116.390 114.554 0.061 0.000 2.870 217 T HA 0.198 4.547 4.350 -0.000 0.000 0.300 217 T C 0.282 175.058 174.700 0.127 0.000 0.989 217 T CA -0.022 62.139 62.100 0.101 0.000 1.139 217 T CB 0.778 69.713 68.868 0.112 0.000 0.920 217 T HN 0.002 nan 8.240 nan 0.000 0.537 218 R N 2.258 122.836 120.500 0.130 0.000 2.604 218 R HA 0.613 4.953 4.340 -0.000 0.000 0.287 218 R C -0.674 175.744 176.300 0.197 0.000 0.970 218 R CA -0.695 55.460 56.100 0.092 0.000 0.946 218 R CB 1.320 31.639 30.300 0.031 0.000 1.127 218 R HN 0.722 nan 8.270 nan 0.000 0.473 219 F N -0.227 119.719 119.950 -0.007 0.000 2.578 219 F HA 0.682 5.209 4.527 -0.000 0.000 0.311 219 F C -0.949 174.818 175.800 -0.055 0.000 1.094 219 F CA -1.296 56.697 58.000 -0.012 0.000 0.923 219 F CB 1.344 40.345 39.000 0.002 0.000 1.230 219 F HN 0.406 nan 8.300 nan 0.000 0.450 220 I N 4.268 124.852 120.570 0.023 0.000 2.545 220 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 220 I C -1.410 174.812 176.117 0.175 0.000 1.040 220 I CA -1.145 60.084 61.300 -0.118 0.000 1.068 220 I CB 1.884 39.605 38.000 -0.465 0.000 1.251 220 I HN 0.721 nan 8.210 nan 0.000 0.424 221 L N 7.433 128.771 121.223 0.192 0.000 2.319 221 L HA 0.421 4.761 4.340 -0.000 0.000 0.280 221 L C 1.076 178.262 176.870 0.526 0.000 1.099 221 L CA -0.195 54.845 54.840 0.334 0.000 0.828 221 L CB 1.413 43.681 42.059 0.348 0.000 1.150 221 L HN 0.778 nan 8.230 nan 0.000 0.442 222 A N 2.749 125.773 122.820 0.339 0.000 2.147 222 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 222 A C 0.709 178.309 177.584 0.028 0.000 1.160 222 A CA 0.444 52.547 52.037 0.110 0.000 0.781 222 A CB 0.233 19.153 19.000 -0.134 0.000 0.842 222 A HN 0.697 nan 8.150 nan 0.000 0.475 223 Q N -0.767 118.978 119.800 -0.093 0.000 2.356 223 Q HA 0.295 4.634 4.340 -0.000 0.000 0.270 223 Q C -2.354 173.150 176.000 -0.826 0.000 1.058 223 Q CA -2.075 53.369 55.803 -0.597 0.000 0.802 223 Q CB 2.289 30.355 28.738 -1.121 0.000 1.303 223 Q HN 0.103 nan 8.270 nan 0.000 0.444 224 P HA -0.058 nan 4.420 nan 0.000 0.226 224 P C 0.528 177.665 177.300 -0.272 0.000 1.153 224 P CA 0.886 63.423 63.100 -0.939 0.000 0.777 224 P CB -0.097 31.079 31.700 -0.872 0.000 0.794 225 F N -2.174 117.733 119.950 -0.071 0.000 2.701 225 F HA 0.399 4.926 4.527 -0.000 0.000 0.295 225 F C 0.695 176.528 175.800 0.056 0.000 1.165 225 F CA -0.520 57.504 58.000 0.041 0.000 1.399 225 F CB -0.905 38.113 39.000 0.031 0.000 0.996 225 F HN -0.312 nan 8.300 nan 0.000 0.513 226 L N 1.098 122.341 121.223 0.032 0.000 3.108 226 L HA 0.415 4.755 4.340 -0.000 0.000 0.251 226 L C 1.857 178.756 176.870 0.047 0.000 1.315 226 L CA -0.291 54.576 54.840 0.046 0.000 1.048 226 L CB 0.366 42.401 42.059 -0.039 0.000 1.432 226 L HN 0.468 nan 8.230 nan 0.000 0.543 227 G N -0.385 108.467 108.800 0.087 0.000 2.418 227 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.217 227 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.217 227 G C 1.386 176.365 174.900 0.131 0.000 1.158 227 G CA 0.393 45.549 45.100 0.093 0.000 0.771 227 G HN 0.277 nan 8.290 nan 0.000 0.545 228 E N 0.457 120.715 120.200 0.097 0.000 2.072 228 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 228 E C 2.833 179.451 176.600 0.030 0.000 0.985 228 E CA 1.213 57.652 56.400 0.064 0.000 0.801 228 E CB -0.754 28.968 29.700 0.037 0.000 0.750 228 E HN 0.325 nan 8.360 nan 0.000 0.452 229 T N 0.857 115.414 114.554 0.004 0.000 2.788 229 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 229 T C 1.940 176.574 174.700 -0.110 0.000 1.044 229 T CA 1.723 63.789 62.100 -0.058 0.000 1.139 229 T CB -0.389 68.441 68.868 -0.064 0.000 0.867 229 T HN 0.167 nan 8.240 nan 0.000 0.454 230 T N 1.306 115.849 114.554 -0.019 0.000 2.652 230 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 230 T C 2.289 177.036 174.700 0.078 0.000 1.039 230 T CA 1.483 63.629 62.100 0.077 0.000 1.153 230 T CB -0.968 68.018 68.868 0.196 0.000 0.863 230 T HN 0.527 nan 8.240 nan 0.000 0.428 231 G N 0.943 109.800 108.800 0.095 0.000 2.442 231 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.219 231 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.219 231 G C 1.792 176.715 174.900 0.039 0.000 1.141 231 G CA 1.041 46.198 45.100 0.095 0.000 0.763 231 G HN 0.602 nan 8.290 nan 0.000 0.554 232 A N 0.356 123.171 122.820 -0.009 0.000 1.897 232 A HA 0.193 4.513 4.320 -0.000 0.000 0.215 232 A C 2.438 179.980 177.584 -0.071 0.000 1.181 232 A CA 1.106 53.126 52.037 -0.028 0.000 0.620 232 A CB -0.344 18.636 19.000 -0.033 0.000 0.821 232 A HN 0.345 nan 8.150 nan 0.000 0.443 233 L N -0.610 120.502 121.223 -0.185 0.000 2.046 233 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 233 L C 2.551 179.370 176.870 -0.084 0.000 1.077 233 L CA 1.659 56.328 54.840 -0.285 0.000 0.747 233 L CB -0.589 40.951 42.059 -0.864 0.000 0.896 233 L HN 0.455 nan 8.230 nan 0.000 0.432 234 E N -0.209 120.010 120.200 0.031 0.000 2.153 234 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 234 E C 2.303 178.950 176.600 0.077 0.000 0.988 234 E CA 0.809 57.293 56.400 0.140 0.000 0.811 234 E CB -0.034 29.777 29.700 0.184 0.000 0.746 234 E HN 0.384 nan 8.360 nan 0.000 0.466 235 R N 0.344 120.871 120.500 0.045 0.000 2.115 235 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 235 R C 1.899 178.216 176.300 0.029 0.000 1.111 235 R CA 0.696 56.818 56.100 0.036 0.000 0.976 235 R CB 0.084 30.402 30.300 0.030 0.000 0.870 235 R HN -0.009 nan 8.270 nan 0.000 0.445 236 R N -0.459 120.052 120.500 0.019 0.000 2.323 236 R HA 0.065 4.405 4.340 -0.000 0.000 0.198 236 R C 1.079 177.399 176.300 0.032 0.000 0.988 236 R CA 0.885 56.996 56.100 0.018 0.000 1.041 236 R CB 0.323 30.625 30.300 0.003 0.000 0.926 236 R HN 0.496 nan 8.270 nan 0.000 0.476 237 G N -0.170 108.659 108.800 0.048 0.000 2.179 237 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 237 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 237 G C 0.259 175.209 174.900 0.082 0.000 0.990 237 G CA 0.027 45.160 45.100 0.055 0.000 0.646 237 G HN 0.568 nan 8.290 nan 0.000 0.517 238 A N 0.065 122.959 122.820 0.124 0.000 2.371 238 A HA 0.676 4.996 4.320 -0.000 0.000 0.257 238 A C 0.420 178.182 177.584 0.297 0.000 1.089 238 A CA 0.604 52.771 52.037 0.217 0.000 0.794 238 A CB 0.658 19.818 19.000 0.266 0.000 1.029 238 A HN 0.553 nan 8.150 nan 0.000 0.488 239 K N 1.587 122.087 120.400 0.166 0.000 2.244 239 K HA 0.375 4.695 4.320 -0.000 0.000 0.260 239 K C -0.194 176.172 176.600 -0.391 0.000 0.951 239 K CA -0.603 55.666 56.287 -0.030 0.000 0.826 239 K CB 1.053 33.512 32.500 -0.068 0.000 1.108 239 K HN 0.799 nan 8.250 nan 0.000 0.433 240 R N 3.998 124.114 120.500 -0.639 0.000 2.441 240 R HA 0.281 4.621 4.340 -0.000 0.000 0.284 240 R C -0.410 175.562 176.300 -0.547 0.000 1.070 240 R CA -0.349 55.127 56.100 -1.041 0.000 1.047 240 R CB 0.558 30.338 30.300 -0.866 0.000 1.016 240 R HN 0.576 nan 8.270 nan 0.000 0.477 241 I N 3.798 124.053 120.570 -0.526 0.000 2.297 241 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 241 I C 0.403 176.296 176.117 -0.372 0.000 1.033 241 I CA -0.546 60.526 61.300 -0.380 0.000 1.253 241 I CB 1.494 39.276 38.000 -0.362 0.000 1.396 241 I HN 0.631 nan 8.210 nan 0.000 0.476 242 A N 5.700 128.346 122.820 -0.290 0.000 2.477 242 A HA 0.737 5.057 4.320 -0.000 0.000 0.246 242 A C 0.195 177.605 177.584 -0.291 0.000 1.078 242 A CA 0.047 51.932 52.037 -0.253 0.000 0.770 242 A CB 0.303 19.201 19.000 -0.170 0.000 1.011 242 A HN 0.931 nan 8.150 nan 0.000 0.494 243 A N 3.504 126.128 122.820 -0.328 0.000 2.594 243 A HA 0.718 5.038 4.320 -0.000 0.000 0.296 243 A C -3.225 174.142 177.584 -0.362 0.000 1.056 243 A CA -1.221 50.623 52.037 -0.321 0.000 0.693 243 A CB 0.675 19.416 19.000 -0.431 0.000 1.278 243 A HN 0.564 nan 8.150 nan 0.000 0.408 244 P HA 0.414 nan 4.420 nan 0.000 0.270 244 P C -0.634 176.535 177.300 -0.218 0.000 1.223 244 P CA 0.156 63.163 63.100 -0.155 0.000 0.785 244 P CB 0.136 31.822 31.700 -0.024 0.000 0.923 245 F N 2.082 122.060 119.950 0.045 0.000 2.418 245 F HA 0.219 4.746 4.527 -0.000 0.000 0.341 245 F C -1.238 174.270 175.800 -0.487 0.000 1.120 245 F CA -1.779 56.131 58.000 -0.151 0.000 1.232 245 F CB -0.041 38.908 39.000 -0.084 0.000 1.175 245 F HN 0.239 nan 8.300 nan 0.000 0.569 246 P HA 0.079 nan 4.420 nan 0.000 0.230 246 P C -1.041 175.566 177.300 -1.155 0.000 1.791 246 P CA 0.407 62.814 63.100 -1.154 0.000 1.020 246 P CB -0.755 29.655 31.700 -2.151 0.000 1.977 247 F N 1.302 120.992 119.950 -0.434 0.000 2.449 247 F HA 0.607 5.134 4.527 -0.000 0.000 0.342 247 F C 1.369 176.892 175.800 -0.463 0.000 1.127 247 F CA -0.116 57.575 58.000 -0.515 0.000 0.975 247 F CB 1.869 40.593 39.000 -0.461 0.000 1.146 247 F HN 0.355 nan 8.300 nan 0.000 0.444 248 G N 2.588 111.155 108.800 -0.388 0.000 2.760 248 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 248 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 248 G C 0.571 175.516 174.900 0.075 0.000 1.359 248 G CA -0.060 44.965 45.100 -0.124 0.000 0.861 248 G HN 0.631 nan 8.290 nan 0.000 0.541 249 E N -0.105 120.241 120.200 0.243 0.000 2.072 249 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 249 E C 2.127 178.885 176.600 0.263 0.000 0.985 249 E CA 2.011 58.603 56.400 0.320 0.000 0.801 249 E CB -0.125 29.726 29.700 0.253 0.000 0.750 249 E HN 0.679 nan 8.360 nan 0.000 0.452 250 E N -0.542 119.769 120.200 0.186 0.000 2.028 250 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 250 E C 2.088 178.743 176.600 0.092 0.000 0.984 250 E CA 0.933 57.413 56.400 0.134 0.000 0.800 250 E CB -0.395 29.360 29.700 0.092 0.000 0.758 250 E HN 0.291 nan 8.360 nan 0.000 0.448 251 G N 0.271 109.112 108.800 0.068 0.000 2.529 251 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 251 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 251 G C 1.638 176.476 174.900 -0.103 0.000 1.177 251 G CA 1.670 46.765 45.100 -0.007 0.000 0.773 251 G HN 0.320 nan 8.290 nan 0.000 0.573 252 T N 0.794 115.216 114.554 -0.220 0.000 2.746 252 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 252 T C 2.627 177.270 174.700 -0.094 0.000 1.039 252 T CA 1.800 63.653 62.100 -0.412 0.000 1.142 252 T CB -0.573 67.788 68.868 -0.845 0.000 0.866 252 T HN 0.324 nan 8.240 nan 0.000 0.444 253 T N 2.634 117.261 114.554 0.122 0.000 2.674 253 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 253 T C 1.881 176.767 174.700 0.310 0.000 1.039 253 T CA 0.775 63.088 62.100 0.356 0.000 1.150 253 T CB -0.453 68.639 68.868 0.373 0.000 0.864 253 T HN 0.057 nan 8.240 nan 0.000 0.427 254 L N -0.353 120.969 121.223 0.165 0.000 2.042 254 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 254 L C 2.045 178.955 176.870 0.066 0.000 1.076 254 L CA 1.332 56.218 54.840 0.076 0.000 0.749 254 L CB -1.326 40.750 42.059 0.029 0.000 0.893 254 L HN 0.466 nan 8.230 nan 0.000 0.432 255 W N -0.702 120.527 121.300 -0.119 0.000 2.379 255 W HA -0.215 4.444 4.660 -0.000 0.000 0.307 255 W C 2.281 178.766 176.519 -0.056 0.000 1.200 255 W CA 0.796 58.045 57.345 -0.160 0.000 1.297 255 W CB 0.022 29.319 29.460 -0.273 0.000 1.140 255 W HN 0.030 nan 8.180 nan 0.000 0.507 256 L N 1.195 122.663 121.223 0.408 0.000 2.056 256 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 256 L C 2.354 179.349 176.870 0.209 0.000 1.078 256 L CA 1.978 57.062 54.840 0.408 0.000 0.749 256 L CB -1.777 40.626 42.059 0.573 0.000 0.901 256 L HN -0.040 nan 8.230 nan 0.000 0.433 257 K N 0.052 120.481 120.400 0.049 0.000 2.097 257 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 257 K C 2.035 178.447 176.600 -0.315 0.000 1.049 257 K CA 1.529 57.523 56.287 -0.488 0.000 0.933 257 K CB -0.388 31.822 32.500 -0.485 0.000 0.717 257 K HN 0.223 nan 8.250 nan 0.000 0.442 258 A N 0.044 122.727 122.820 -0.227 0.000 1.883 258 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 258 A C 2.305 179.750 177.584 -0.231 0.000 1.186 258 A CA 1.967 53.855 52.037 -0.247 0.000 0.624 258 A CB -0.814 18.005 19.000 -0.302 0.000 0.822 258 A HN 0.127 nan 8.150 nan 0.000 0.444 259 V N -0.131 119.633 119.914 -0.249 0.000 2.358 259 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 259 V C 3.046 179.139 176.094 -0.002 0.000 1.047 259 V CA 1.855 64.069 62.300 -0.144 0.000 1.035 259 V CB -1.411 30.276 31.823 -0.227 0.000 0.658 259 V HN 0.621 nan 8.190 nan 0.000 0.452 260 A N 0.266 123.060 122.820 -0.044 0.000 1.865 260 A HA -0.291 4.028 4.320 -0.000 0.000 0.217 260 A C 2.002 179.558 177.584 -0.046 0.000 1.191 260 A CA 2.253 54.279 52.037 -0.019 0.000 0.623 260 A CB -0.783 18.153 19.000 -0.107 0.000 0.826 260 A HN 0.529 nan 8.150 nan 0.000 0.444 261 D N -0.074 120.244 120.400 -0.136 0.000 2.149 261 D HA -0.057 4.583 4.640 -0.000 0.000 0.198 261 D C 2.171 178.417 176.300 -0.091 0.000 0.990 261 D CA 1.488 55.413 54.000 -0.124 0.000 0.839 261 D CB -0.425 40.278 40.800 -0.161 0.000 0.948 261 D HN 0.449 nan 8.370 nan 0.000 0.460 262 A N -0.296 122.477 122.820 -0.078 0.000 1.930 262 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 262 A C 1.562 179.024 177.584 -0.204 0.000 1.175 262 A CA 0.987 52.945 52.037 -0.133 0.000 0.627 262 A CB -0.750 18.181 19.000 -0.116 0.000 0.815 262 A HN 0.296 nan 8.150 nan 0.000 0.443 263 Y N -0.725 119.524 120.300 -0.086 0.000 2.468 263 Y HA 0.357 4.907 4.550 -0.000 0.000 0.268 263 Y C 1.646 177.520 175.900 -0.042 0.000 1.177 263 Y CA 0.280 58.346 58.100 -0.057 0.000 1.265 263 Y CB 0.174 38.608 38.460 -0.045 0.000 1.103 263 Y HN 0.443 nan 8.280 nan 0.000 0.522 264 G N 0.572 109.390 108.800 0.030 0.000 2.176 264 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 264 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 264 G C -0.110 174.812 174.900 0.036 0.000 1.024 264 G CA 0.194 45.300 45.100 0.010 0.000 0.755 264 G HN 0.117 nan 8.290 nan 0.000 0.507 265 V N 1.684 121.631 119.914 0.055 0.000 2.572 265 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 265 V C 1.415 177.537 176.094 0.046 0.000 1.039 265 V CA 0.222 62.562 62.300 0.066 0.000 1.055 265 V CB 1.118 33.000 31.823 0.097 0.000 0.969 265 V HN 0.939 nan 8.190 nan 0.000 0.482 266 S N 4.444 120.177 115.700 0.056 0.000 2.584 266 S HA 0.380 4.850 4.470 -0.000 0.000 0.270 266 S C 1.314 175.964 174.600 0.083 0.000 1.346 266 S CA -0.049 58.180 58.200 0.049 0.000 1.018 266 S CB 1.308 64.535 63.200 0.044 0.000 0.899 266 S HN 1.019 nan 8.310 nan 0.000 0.542 267 A N 1.009 123.869 122.820 0.067 0.000 1.930 267 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 267 A C 2.048 179.715 177.584 0.137 0.000 1.175 267 A CA 1.538 53.638 52.037 0.105 0.000 0.627 267 A CB -1.078 17.958 19.000 0.061 0.000 0.815 267 A HN 0.900 nan 8.150 nan 0.000 0.443 268 E N -0.247 120.006 120.200 0.087 0.000 2.058 268 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 268 E C 2.076 178.720 176.600 0.073 0.000 0.997 268 E CA 1.649 58.090 56.400 0.068 0.000 0.801 268 E CB -0.115 29.611 29.700 0.043 0.000 0.746 268 E HN 0.633 nan 8.360 nan 0.000 0.450 269 K N -0.613 119.840 120.400 0.088 0.000 2.103 269 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 269 K C 1.983 178.646 176.600 0.104 0.000 1.052 269 K CA 0.744 57.078 56.287 0.079 0.000 0.945 269 K CB -0.156 32.389 32.500 0.075 0.000 0.722 269 K HN 0.106 nan 8.250 nan 0.000 0.443 270 F N 2.305 122.269 119.950 0.024 0.000 2.069 270 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 270 F C 2.096 177.919 175.800 0.037 0.000 1.113 270 F CA 1.588 59.609 58.000 0.036 0.000 1.214 270 F CB 0.065 39.087 39.000 0.036 0.000 0.978 270 F HN 0.042 nan 8.300 nan 0.000 0.474 271 E N 0.480 120.703 120.200 0.039 0.000 2.153 271 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 271 E C 2.288 178.822 176.600 -0.110 0.000 0.988 271 E CA 1.046 57.408 56.400 -0.063 0.000 0.811 271 E CB -0.555 29.181 29.700 0.060 0.000 0.746 271 E HN 0.549 nan 8.360 nan 0.000 0.466 272 A N 0.800 123.582 122.820 -0.065 0.000 1.898 272 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 272 A C 2.521 180.052 177.584 -0.087 0.000 1.183 272 A CA 0.809 52.810 52.037 -0.059 0.000 0.622 272 A CB -0.416 18.570 19.000 -0.023 0.000 0.824 272 A HN 0.115 nan 8.150 nan 0.000 0.444 273 V N -0.677 119.176 119.914 -0.101 0.000 2.626 273 V HA -0.143 3.977 4.120 -0.000 0.000 0.252 273 V C 2.446 178.449 176.094 -0.151 0.000 1.067 273 V CA 2.325 64.565 62.300 -0.100 0.000 1.081 273 V CB -0.557 31.225 31.823 -0.068 0.000 0.686 273 V HN 0.585 nan 8.190 nan 0.000 0.468 274 T N -1.007 113.394 114.554 -0.255 0.000 3.015 274 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 274 T C 1.948 176.465 174.700 -0.306 0.000 1.057 274 T CA 0.810 62.714 62.100 -0.327 0.000 1.066 274 T CB 0.197 68.678 68.868 -0.644 0.000 0.959 274 T HN 0.475 nan 8.240 nan 0.000 0.488 275 A N 1.616 124.304 122.820 -0.220 0.000 1.883 275 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 275 A C 2.526 180.005 177.584 -0.176 0.000 1.186 275 A CA 2.033 53.969 52.037 -0.168 0.000 0.624 275 A CB -1.076 17.860 19.000 -0.106 0.000 0.822 275 A HN 0.504 nan 8.150 nan 0.000 0.444 276 A N -0.023 122.703 122.820 -0.158 0.000 1.855 276 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 276 A C 0.307 177.779 177.584 -0.186 0.000 1.191 276 A CA 1.674 53.630 52.037 -0.135 0.000 0.613 276 A CB -1.705 17.239 19.000 -0.094 0.000 0.829 276 A HN 0.441 nan 8.150 nan 0.000 0.442 277 P HA -0.153 nan 4.420 nan 0.000 0.218 277 P C 1.591 178.532 177.300 -0.598 0.000 1.148 277 P CA 1.147 64.022 63.100 -0.377 0.000 0.822 277 P CB -0.124 31.314 31.700 -0.437 0.000 0.784 278 R N -0.593 119.510 120.500 -0.661 0.000 2.066 278 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 278 R C 2.247 178.427 176.300 -0.201 0.000 1.131 278 R CA 1.592 57.394 56.100 -0.497 0.000 0.955 278 R CB -1.048 29.054 30.300 -0.331 0.000 0.851 278 R HN 0.135 nan 8.270 nan 0.000 0.432 279 A N 1.023 123.752 122.820 -0.152 0.000 1.972 279 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 279 A C 2.144 179.697 177.584 -0.052 0.000 1.169 279 A CA 1.122 53.114 52.037 -0.076 0.000 0.635 279 A CB -0.432 18.529 19.000 -0.065 0.000 0.810 279 A HN 0.208 nan 8.150 nan 0.000 0.446 280 R N -0.476 119.980 120.500 -0.073 0.000 2.075 280 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 280 R C 2.333 178.639 176.300 0.009 0.000 1.126 280 R CA 1.339 57.420 56.100 -0.032 0.000 0.963 280 R CB -0.344 29.930 30.300 -0.043 0.000 0.858 280 R HN 0.459 nan 8.270 nan 0.000 0.435 281 A N 1.137 123.961 122.820 0.007 0.000 1.873 281 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 281 A C 2.072 179.722 177.584 0.109 0.000 1.186 281 A CA 1.533 53.627 52.037 0.095 0.000 0.616 281 A CB -0.434 18.673 19.000 0.178 0.000 0.823 281 A HN 0.334 nan 8.150 nan 0.000 0.442 282 K N -0.116 120.327 120.400 0.072 0.000 2.097 282 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 282 K C 2.148 178.787 176.600 0.065 0.000 1.049 282 K CA 1.817 58.149 56.287 0.075 0.000 0.933 282 K CB -0.154 32.371 32.500 0.042 0.000 0.717 282 K HN 0.457 nan 8.250 nan 0.000 0.442 283 K N -0.061 120.365 120.400 0.044 0.000 2.097 283 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 283 K C 1.899 178.532 176.600 0.054 0.000 1.050 283 K CA 1.085 57.394 56.287 0.036 0.000 0.938 283 K CB -0.117 32.393 32.500 0.017 0.000 0.718 283 K HN 0.196 nan 8.250 nan 0.000 0.442 284 A N 1.082 123.950 122.820 0.081 0.000 1.972 284 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 284 A C 2.008 179.711 177.584 0.199 0.000 1.169 284 A CA 1.248 53.356 52.037 0.118 0.000 0.635 284 A CB -0.476 18.602 19.000 0.130 0.000 0.810 284 A HN 0.341 nan 8.150 nan 0.000 0.446 285 I N -0.324 120.369 120.570 0.205 0.000 2.315 285 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 285 I C 2.859 179.088 176.117 0.187 0.000 1.117 285 I CA 0.895 62.350 61.300 0.258 0.000 1.404 285 I CB -0.241 37.893 38.000 0.223 0.000 1.071 285 I HN 0.326 nan 8.210 nan 0.000 0.419 286 A N 0.794 123.671 122.820 0.096 0.000 2.076 286 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 286 A C 2.448 180.028 177.584 -0.006 0.000 1.160 286 A CA 1.618 53.680 52.037 0.041 0.000 0.653 286 A CB -0.693 18.321 19.000 0.023 0.000 0.801 286 A HN 0.435 nan 8.150 nan 0.000 0.455 287 A N -1.575 121.204 122.820 -0.067 0.000 2.178 287 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 287 A C 1.636 178.990 177.584 -0.383 0.000 1.157 287 A CA 1.315 53.204 52.037 -0.246 0.000 0.689 287 A CB -0.591 18.200 19.000 -0.349 0.000 0.787 287 A HN 0.695 nan 8.150 nan 0.000 0.465 288 H N -1.728 117.370 119.070 0.046 0.000 2.893 288 H HA 0.283 4.839 4.556 -0.000 0.000 0.270 288 H C 1.504 176.849 175.328 0.028 0.000 1.095 288 H CA -0.138 55.940 56.048 0.049 0.000 1.186 288 H CB 0.188 29.997 29.762 0.078 0.000 1.562 288 H HN 0.377 nan 8.280 nan 0.000 0.536 289 L N 0.570 121.844 121.223 0.085 0.000 2.072 289 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 289 L C 2.104 178.992 176.870 0.031 0.000 1.079 289 L CA 1.274 56.140 54.840 0.044 0.000 0.752 289 L CB -0.012 42.060 42.059 0.022 0.000 0.906 289 L HN 0.143 nan 8.230 nan 0.000 0.436 290 E N -0.710 119.505 120.200 0.025 0.000 2.085 290 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 290 E C 2.108 178.727 176.600 0.031 0.000 0.994 290 E CA 1.928 58.340 56.400 0.020 0.000 0.801 290 E CB -0.441 29.266 29.700 0.012 0.000 0.743 290 E HN 0.337 nan 8.360 nan 0.000 0.453 291 T N -0.636 113.948 114.554 0.049 0.000 2.904 291 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 291 T C 1.484 176.219 174.700 0.060 0.000 1.059 291 T CA 0.612 62.748 62.100 0.061 0.000 1.137 291 T CB -0.009 68.910 68.868 0.084 0.000 0.879 291 T HN -0.030 nan 8.240 nan 0.000 0.467 292 L N 1.303 122.561 121.223 0.058 0.000 2.249 292 L HA 0.340 4.680 4.340 -0.000 0.000 0.207 292 L C 1.319 178.192 176.870 0.004 0.000 1.090 292 L CA 0.899 55.761 54.840 0.035 0.000 0.802 292 L CB -0.896 41.178 42.059 0.026 0.000 0.947 292 L HN 0.216 nan 8.230 nan 0.000 0.453 293 T N 0.071 114.627 114.554 0.003 0.000 2.902 293 T HA 0.368 4.718 4.350 -0.000 0.000 0.301 293 T C 1.214 175.913 174.700 -0.003 0.000 1.012 293 T CA 0.758 62.853 62.100 -0.008 0.000 1.151 293 T CB 0.472 69.338 68.868 -0.003 0.000 0.946 293 T HN 0.555 nan 8.240 nan 0.000 0.542 294 G N 2.572 111.366 108.800 -0.010 0.000 2.205 294 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 294 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 294 G C 0.170 175.068 174.900 -0.003 0.000 0.980 294 G CA 0.065 45.160 45.100 -0.007 0.000 0.632 294 G HN 0.628 nan 8.290 nan 0.000 0.533 295 K N 1.938 122.338 120.400 0.001 0.000 2.322 295 K HA 0.533 4.853 4.320 -0.000 0.000 0.283 295 K C 0.919 177.523 176.600 0.008 0.000 1.042 295 K CA 0.552 56.847 56.287 0.013 0.000 0.958 295 K CB 0.986 33.502 32.500 0.026 0.000 0.984 295 K HN 0.494 nan 8.250 nan 0.000 0.473 296 S N 2.751 118.464 115.700 0.020 0.000 2.584 296 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 296 S C -0.467 174.162 174.600 0.049 0.000 1.311 296 S CA -0.923 57.291 58.200 0.022 0.000 1.034 296 S CB 0.755 63.970 63.200 0.024 0.000 0.939 296 S HN 0.414 nan 8.310 nan 0.000 0.513 297 L N 2.429 123.678 121.223 0.044 0.000 2.386 297 L HA 0.777 5.116 4.340 -0.000 0.000 0.271 297 L C -1.497 175.441 176.870 0.113 0.000 0.993 297 L CA -0.845 54.037 54.840 0.070 0.000 0.819 297 L CB 1.671 43.725 42.059 -0.009 0.000 1.294 297 L HN 0.843 nan 8.230 nan 0.000 0.414 298 F N 5.489 125.452 119.950 0.022 0.000 2.529 298 F HA 0.707 5.234 4.527 -0.000 0.000 0.320 298 F C -0.987 174.828 175.800 0.026 0.000 1.118 298 F CA -0.654 57.346 58.000 -0.001 0.000 0.915 298 F CB 1.794 40.818 39.000 0.039 0.000 1.161 298 F HN 0.392 nan 8.300 nan 0.000 0.445 299 M N 6.979 126.483 119.600 -0.161 0.000 2.134 299 M HA 0.342 4.822 4.480 -0.000 0.000 0.310 299 M C -1.268 174.986 176.300 -0.077 0.000 0.966 299 M CA -0.568 54.743 55.300 0.019 0.000 0.922 299 M CB 1.580 34.169 32.600 -0.018 0.000 1.537 299 M HN 0.423 nan 8.290 nan 0.000 0.424 300 F N 4.209 124.276 119.950 0.194 0.000 2.410 300 F HA 0.340 4.867 4.527 -0.000 0.000 0.334 300 F C -1.667 174.176 175.800 0.071 0.000 1.134 300 F CA -1.395 56.696 58.000 0.151 0.000 1.227 300 F CB 0.386 39.464 39.000 0.131 0.000 1.194 300 F HN 0.305 nan 8.300 nan 0.000 0.571 301 P HA 0.156 nan 4.420 nan 0.000 0.281 301 P C -0.755 176.641 177.300 0.161 0.000 1.252 301 P CA 0.013 63.210 63.100 0.161 0.000 0.778 301 P CB 1.704 33.483 31.700 0.131 0.000 0.895 302 D N 1.074 121.578 120.400 0.174 0.000 2.259 302 D HA -0.028 4.612 4.640 -0.000 0.000 0.301 302 D C 1.074 177.593 176.300 0.365 0.000 1.149 302 D CA 0.651 54.769 54.000 0.198 0.000 1.012 302 D CB 0.465 41.355 40.800 0.150 0.000 1.797 302 D HN 0.467 nan 8.370 nan 0.000 0.513 303 S N -0.713 115.175 115.700 0.313 0.000 2.684 303 S HA 0.119 4.589 4.470 -0.000 0.000 0.268 303 S C 0.735 175.454 174.600 0.198 0.000 1.075 303 S CA 0.040 58.408 58.200 0.280 0.000 1.184 303 S CB 1.552 64.908 63.200 0.259 0.000 1.129 303 S HN 0.099 nan 8.310 nan 0.000 0.630 304 Q N -0.659 119.257 119.800 0.194 0.000 2.342 304 Q HA -0.147 4.192 4.340 -0.000 0.000 0.196 304 Q C 0.324 176.381 176.000 0.094 0.000 0.629 304 Q CA 1.110 57.019 55.803 0.175 0.000 1.365 304 Q CB -1.896 26.999 28.738 0.262 0.000 1.406 304 Q HN 0.494 nan 8.270 nan 0.000 0.840 305 L N 0.624 121.890 121.223 0.073 0.000 2.554 305 L HA 0.002 4.342 4.340 -0.000 0.000 0.226 305 L C 1.846 178.665 176.870 -0.085 0.000 1.137 305 L CA 1.492 56.302 54.840 -0.050 0.000 0.863 305 L CB -0.039 41.957 42.059 -0.105 0.000 0.985 305 L HN 0.146 nan 8.230 nan 0.000 0.451 306 E N 0.109 120.302 120.200 -0.011 0.000 2.038 306 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 306 E C 2.220 178.800 176.600 -0.034 0.000 1.000 306 E CA 1.518 57.909 56.400 -0.016 0.000 0.803 306 E CB -0.258 29.446 29.700 0.008 0.000 0.750 306 E HN 0.382 nan 8.360 nan 0.000 0.448 307 I N 0.546 121.111 120.570 -0.007 0.000 2.142 307 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 307 I C -0.834 175.306 176.117 0.039 0.000 1.078 307 I CA 1.154 62.462 61.300 0.014 0.000 1.343 307 I CB -1.082 36.942 38.000 0.040 0.000 1.046 307 I HN 0.135 nan 8.210 nan 0.000 0.405 308 P HA -0.123 nan 4.420 nan 0.000 0.217 308 P C 1.894 179.213 177.300 0.031 0.000 1.150 308 P CA 1.419 64.611 63.100 0.154 0.000 0.832 308 P CB 0.005 31.908 31.700 0.339 0.000 0.787 309 L N -1.051 120.075 121.223 -0.163 0.000 2.072 309 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 309 L C 2.529 179.337 176.870 -0.102 0.000 1.079 309 L CA 1.398 56.117 54.840 -0.201 0.000 0.752 309 L CB -1.250 40.641 42.059 -0.281 0.000 0.906 309 L HN -0.058 nan 8.230 nan 0.000 0.436 310 A N 0.152 122.915 122.820 -0.096 0.000 1.908 310 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 310 A C 2.475 180.031 177.584 -0.047 0.000 1.181 310 A CA 1.662 53.643 52.037 -0.094 0.000 0.627 310 A CB -0.610 18.347 19.000 -0.072 0.000 0.818 310 A HN 0.279 nan 8.150 nan 0.000 0.445 311 R N -0.907 119.603 120.500 0.016 0.000 2.091 311 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 311 R C 1.961 178.297 176.300 0.060 0.000 1.136 311 R CA 2.204 58.337 56.100 0.054 0.000 0.959 311 R CB -0.830 29.523 30.300 0.089 0.000 0.856 311 R HN 0.571 nan 8.270 nan 0.000 0.437 312 F N 1.131 121.042 119.950 -0.064 0.000 2.186 312 F HA -0.084 4.442 4.527 -0.000 0.000 0.299 312 F C 1.948 177.682 175.800 -0.109 0.000 1.090 312 F CA 1.180 59.138 58.000 -0.069 0.000 1.307 312 F CB -0.307 38.655 39.000 -0.063 0.000 1.019 312 F HN -0.028 nan 8.300 nan 0.000 0.489 313 L N 0.019 120.983 121.223 -0.432 0.000 2.141 313 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 313 L C 2.776 179.441 176.870 -0.341 0.000 1.094 313 L CA 1.000 55.503 54.840 -0.562 0.000 0.763 313 L CB -1.036 40.731 42.059 -0.487 0.000 0.908 313 L HN 0.290 nan 8.230 nan 0.000 0.437 314 A N 0.137 122.846 122.820 -0.186 0.000 1.874 314 A HA -0.122 4.197 4.320 -0.000 0.000 0.214 314 A C 2.377 179.942 177.584 -0.030 0.000 1.189 314 A CA 1.119 53.118 52.037 -0.063 0.000 0.615 314 A CB -0.287 18.736 19.000 0.038 0.000 0.830 314 A HN 0.275 nan 8.150 nan 0.000 0.443 315 R N -0.628 119.834 120.500 -0.063 0.000 2.127 315 R HA 0.036 4.376 4.340 -0.000 0.000 0.217 315 R C 1.635 177.868 176.300 -0.112 0.000 1.074 315 R CA 1.362 57.416 56.100 -0.077 0.000 0.991 315 R CB -0.042 30.173 30.300 -0.142 0.000 0.895 315 R HN 0.613 nan 8.270 nan 0.000 0.450 316 E N -1.213 118.856 120.200 -0.217 0.000 2.413 316 E HA 0.049 4.399 4.350 -0.000 0.000 0.203 316 E C 0.867 177.305 176.600 -0.270 0.000 0.957 316 E CA 0.163 56.432 56.400 -0.217 0.000 0.950 316 E CB 0.779 30.371 29.700 -0.181 0.000 0.957 316 E HN 0.226 nan 8.360 nan 0.000 0.497 317 C N 0.167 119.247 119.300 -0.367 0.000 3.336 317 C HA 0.357 4.817 4.460 -0.000 0.000 0.291 317 C C 1.483 176.385 174.990 -0.147 0.000 1.363 317 C CA 0.084 58.940 59.018 -0.269 0.000 1.737 317 C CB -0.152 27.353 27.740 -0.391 0.000 2.274 317 C HN 0.625 nan 8.230 nan 0.000 0.663 318 G N 1.747 110.478 108.800 -0.114 0.000 2.179 318 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 318 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 318 G C 0.033 174.900 174.900 -0.054 0.000 1.010 318 G CA 0.316 45.384 45.100 -0.053 0.000 0.736 318 G HN 0.534 nan 8.290 nan 0.000 0.513 319 M N -0.733 118.814 119.600 -0.088 0.000 2.202 319 M HA 0.374 4.854 4.480 -0.000 0.000 0.316 319 M C 0.671 176.939 176.300 -0.052 0.000 1.138 319 M CA 0.385 55.641 55.300 -0.074 0.000 1.151 319 M CB 0.762 33.292 32.600 -0.116 0.000 1.422 319 M HN 0.037 nan 8.290 nan 0.000 0.471 320 K N 1.377 121.753 120.400 -0.041 0.000 2.339 320 K HA 0.280 4.600 4.320 -0.000 0.000 0.264 320 K C -0.420 176.156 176.600 -0.039 0.000 0.986 320 K CA -0.486 55.778 56.287 -0.039 0.000 0.866 320 K CB 1.284 33.765 32.500 -0.032 0.000 1.103 320 K HN 0.692 nan 8.250 nan 0.000 0.441 321 T N -0.274 114.250 114.554 -0.050 0.000 2.926 321 T HA 0.074 4.424 4.350 -0.000 0.000 0.307 321 T C 1.073 175.738 174.700 -0.058 0.000 1.059 321 T CA -0.236 61.828 62.100 -0.060 0.000 1.122 321 T CB 1.064 69.891 68.868 -0.068 0.000 0.972 321 T HN 0.689 nan 8.240 nan 0.000 0.545 322 T N -0.415 114.096 114.554 -0.072 0.000 3.257 322 T HA 0.341 4.691 4.350 -0.000 0.000 0.176 322 T C 0.102 174.704 174.700 -0.165 0.000 0.892 322 T CA -0.436 61.625 62.100 -0.064 0.000 1.147 322 T CB -0.151 68.742 68.868 0.042 0.000 1.840 322 T HN 0.772 nan 8.240 nan 0.000 0.375 323 E N 0.672 120.657 120.200 -0.357 0.000 2.166 323 E HA 0.482 4.832 4.350 -0.000 0.000 0.275 323 E C -1.315 174.867 176.600 -0.697 0.000 0.941 323 E CA -0.862 55.202 56.400 -0.559 0.000 0.784 323 E CB 0.844 30.127 29.700 -0.695 0.000 1.115 323 E HN 0.374 nan 8.360 nan 0.000 0.399 324 I N 3.542 123.865 120.570 -0.412 0.000 2.382 324 I HA 0.415 4.585 4.170 -0.000 0.000 0.286 324 I C -0.142 175.830 176.117 -0.242 0.000 1.002 324 I CA -0.618 60.499 61.300 -0.306 0.000 1.135 324 I CB 0.681 38.579 38.000 -0.169 0.000 1.288 324 I HN 0.521 nan 8.210 nan 0.000 0.448 325 A N 4.441 127.122 122.820 -0.232 0.000 2.340 325 A HA 0.845 5.165 4.320 -0.000 0.000 0.331 325 A C -0.159 177.409 177.584 -0.027 0.000 1.140 325 A CA -0.534 51.427 52.037 -0.128 0.000 0.801 325 A CB 1.669 20.586 19.000 -0.138 0.000 1.234 325 A HN 0.637 nan 8.150 nan 0.000 0.469 326 T N 1.476 116.037 114.554 0.011 0.000 2.912 326 T HA 0.598 4.948 4.350 -0.000 0.000 0.299 326 T C -2.331 172.432 174.700 0.105 0.000 1.052 326 T CA -1.559 60.580 62.100 0.065 0.000 0.996 326 T CB 1.729 70.628 68.868 0.051 0.000 1.070 326 T HN 0.271 nan 8.240 nan 0.000 0.465 327 P HA 0.151 nan 4.420 nan 0.000 0.219 327 P C -0.333 177.134 177.300 0.279 0.000 1.150 327 P CA 0.678 63.895 63.100 0.195 0.000 0.814 327 P CB 0.117 31.944 31.700 0.212 0.000 0.787 328 F N -0.468 119.544 119.950 0.102 0.000 2.596 328 F HA 0.527 5.054 4.527 -0.000 0.000 0.311 328 F C -1.726 174.142 175.800 0.114 0.000 1.116 328 F CA -1.575 56.489 58.000 0.106 0.000 0.957 328 F CB 1.523 40.599 39.000 0.127 0.000 1.250 328 F HN -0.390 nan 8.300 nan 0.000 0.444 329 L N 6.812 127.633 121.223 -0.670 0.000 2.356 329 L HA 0.375 4.715 4.340 -0.000 0.000 0.264 329 L C -1.127 175.343 176.870 -0.667 0.000 1.029 329 L CA -0.246 54.324 54.840 -0.451 0.000 0.897 329 L CB 0.040 41.962 42.059 -0.228 0.000 1.256 329 L HN 0.666 nan 8.230 nan 0.000 0.444 330 H N 3.030 121.791 119.070 -0.515 0.000 3.086 330 H HA 0.074 4.630 4.556 -0.000 0.000 0.265 330 H C 0.615 175.901 175.328 -0.070 0.000 1.092 330 H CA 0.160 56.091 56.048 -0.196 0.000 1.487 330 H CB 1.189 31.053 29.762 0.171 0.000 1.514 330 H HN 0.614 nan 8.280 nan 0.000 0.497 331 K N 4.253 124.590 120.400 -0.103 0.000 2.025 331 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 331 K C 2.031 178.692 176.600 0.101 0.000 1.049 331 K CA 1.473 57.752 56.287 -0.014 0.000 0.933 331 K CB -0.361 32.097 32.500 -0.070 0.000 0.714 331 K HN 0.673 nan 8.250 nan 0.000 0.438 332 A N 0.599 123.517 122.820 0.164 0.000 1.883 332 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 332 A C 2.287 180.001 177.584 0.217 0.000 1.186 332 A CA 1.825 53.980 52.037 0.196 0.000 0.624 332 A CB -0.733 18.407 19.000 0.233 0.000 0.822 332 A HN 0.311 nan 8.150 nan 0.000 0.444 333 I N -1.870 118.914 120.570 0.357 0.000 2.394 333 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 333 I C 2.309 178.565 176.117 0.232 0.000 1.136 333 I CA 1.315 62.730 61.300 0.190 0.000 1.425 333 I CB -0.093 37.940 38.000 0.055 0.000 1.079 333 I HN 0.271 nan 8.210 nan 0.000 0.425 334 M N -0.014 119.725 119.600 0.233 0.000 2.495 334 M HA 0.208 4.688 4.480 -0.000 0.000 0.237 334 M C 1.937 178.312 176.300 0.125 0.000 1.131 334 M CA 0.349 55.775 55.300 0.210 0.000 1.032 334 M CB -0.279 32.415 32.600 0.157 0.000 1.513 334 M HN 0.166 nan 8.290 nan 0.000 0.488 335 A N 1.009 123.883 122.820 0.089 0.000 1.892 335 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 335 A C -0.386 177.216 177.584 0.031 0.000 1.188 335 A CA 1.671 53.736 52.037 0.047 0.000 0.631 335 A CB -2.044 16.974 19.000 0.031 0.000 0.822 335 A HN 0.377 nan 8.150 nan 0.000 0.447 336 P HA -0.125 nan 4.420 nan 0.000 0.215 336 P C 0.756 178.070 177.300 0.023 0.000 1.153 336 P CA 1.391 64.485 63.100 -0.009 0.000 0.853 336 P CB -0.082 31.579 31.700 -0.064 0.000 0.788 337 D N -0.887 119.554 120.400 0.069 0.000 2.144 337 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 337 D C 2.028 178.376 176.300 0.080 0.000 0.978 337 D CA 0.894 54.956 54.000 0.103 0.000 0.833 337 D CB -0.361 40.555 40.800 0.193 0.000 0.961 337 D HN 0.169 nan 8.370 nan 0.000 0.470 338 L N 0.862 122.127 121.223 0.071 0.000 2.131 338 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 338 L C 2.442 179.341 176.870 0.049 0.000 1.092 338 L CA 0.783 55.654 54.840 0.052 0.000 0.759 338 L CB -0.271 41.812 42.059 0.040 0.000 0.903 338 L HN -0.040 nan 8.230 nan 0.000 0.435 339 A N -0.545 122.300 122.820 0.041 0.000 2.172 339 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 339 A C 2.005 179.621 177.584 0.053 0.000 1.154 339 A CA 1.045 53.105 52.037 0.038 0.000 0.701 339 A CB -0.279 18.732 19.000 0.018 0.000 0.789 339 A HN 0.450 nan 8.150 nan 0.000 0.465 340 L N -1.217 120.037 121.223 0.052 0.000 2.638 340 L HA 0.299 4.639 4.340 -0.000 0.000 0.232 340 L C 0.402 177.342 176.870 0.118 0.000 1.099 340 L CA -0.293 54.567 54.840 0.034 0.000 0.883 340 L CB 0.039 42.087 42.059 -0.017 0.000 1.136 340 L HN 0.192 nan 8.230 nan 0.000 0.492 341 L N 2.042 123.342 121.223 0.128 0.000 2.456 341 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 341 L C -1.945 175.053 176.870 0.213 0.000 1.189 341 L CA -1.681 53.245 54.840 0.144 0.000 0.846 341 L CB 0.633 42.734 42.059 0.070 0.000 1.111 341 L HN -0.235 nan 8.230 nan 0.000 0.475 342 P HA -0.039 nan 4.420 nan 0.000 0.265 342 P C 0.288 177.560 177.300 -0.045 0.000 1.193 342 P CA 0.037 63.138 63.100 0.001 0.000 0.765 342 P CB 0.605 32.257 31.700 -0.081 0.000 0.823 343 S N 2.020 117.663 115.700 -0.094 0.000 2.555 343 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 343 S C 1.340 175.900 174.600 -0.068 0.000 0.978 343 S CA 0.589 58.754 58.200 -0.059 0.000 0.934 343 S CB -0.938 62.227 63.200 -0.058 0.000 0.766 343 S HN 0.559 nan 8.310 nan 0.000 0.533 344 N N 1.345 119.991 118.700 -0.090 0.000 2.457 344 N HA -0.073 4.667 4.740 -0.000 0.000 0.180 344 N C -0.276 175.195 175.510 -0.066 0.000 1.050 344 N CA 0.503 53.507 53.050 -0.077 0.000 0.906 344 N CB -0.889 37.544 38.487 -0.089 0.000 0.968 344 N HN 0.217 nan 8.380 nan 0.000 0.445 345 T N 1.629 116.144 114.554 -0.064 0.000 2.829 345 T HA 0.274 4.624 4.350 -0.000 0.000 0.293 345 T C 0.276 174.931 174.700 -0.074 0.000 0.970 345 T CA -0.169 61.889 62.100 -0.070 0.000 1.168 345 T CB 0.756 69.589 68.868 -0.059 0.000 0.911 345 T HN 0.353 nan 8.240 nan 0.000 0.535 346 A N 5.092 127.856 122.820 -0.094 0.000 2.350 346 A HA 0.522 4.842 4.320 -0.000 0.000 0.293 346 A C 0.133 177.644 177.584 -0.122 0.000 1.231 346 A CA -0.557 51.422 52.037 -0.096 0.000 0.883 346 A CB -0.148 18.795 19.000 -0.095 0.000 1.133 346 A HN 0.861 nan 8.150 nan 0.000 0.533 347 L N 2.551 123.720 121.223 -0.091 0.000 2.307 347 L HA 0.517 4.857 4.340 -0.000 0.000 0.282 347 L C 0.149 176.969 176.870 -0.084 0.000 1.051 347 L CA -0.124 54.662 54.840 -0.090 0.000 0.804 347 L CB 1.891 43.913 42.059 -0.061 0.000 1.197 347 L HN 0.648 nan 8.230 nan 0.000 0.431 348 T N 2.026 116.526 114.554 -0.090 0.000 2.881 348 T HA 0.250 4.600 4.350 -0.000 0.000 0.290 348 T C -0.880 173.797 174.700 -0.039 0.000 1.000 348 T CA -0.576 61.485 62.100 -0.065 0.000 0.978 348 T CB 1.865 70.682 68.868 -0.085 0.000 0.997 348 T HN 0.510 nan 8.240 nan 0.000 0.443 349 E N 2.175 122.364 120.200 -0.018 0.000 2.133 349 E HA 0.558 4.908 4.350 -0.000 0.000 0.274 349 E C 0.553 177.178 176.600 0.041 0.000 0.930 349 E CA -0.087 56.318 56.400 0.007 0.000 0.770 349 E CB 0.838 30.528 29.700 -0.017 0.000 1.104 349 E HN 0.964 nan 8.360 nan 0.000 0.403 350 G N 3.406 112.249 108.800 0.071 0.000 2.508 350 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 350 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 350 G C -0.638 174.306 174.900 0.075 0.000 1.287 350 G CA 0.026 45.176 45.100 0.084 0.000 0.916 350 G HN 0.703 nan 8.290 nan 0.000 0.574 351 Q N -0.703 119.141 119.800 0.074 0.000 2.646 351 Q HA 0.448 4.788 4.340 -0.000 0.000 0.260 351 Q C -2.616 173.429 176.000 0.074 0.000 0.975 351 Q CA -0.451 55.403 55.803 0.086 0.000 0.936 351 Q CB 1.760 30.565 28.738 0.112 0.000 1.591 351 Q HN 0.777 nan 8.270 nan 0.000 0.412 352 D N 3.756 124.202 120.400 0.077 0.000 2.462 352 D HA 0.184 4.823 4.640 -0.000 0.000 0.245 352 D C 0.321 176.673 176.300 0.086 0.000 1.122 352 D CA -0.499 53.541 54.000 0.067 0.000 0.864 352 D CB 1.608 42.440 40.800 0.054 0.000 1.098 352 D HN 0.554 nan 8.370 nan 0.000 0.541 353 L N 4.049 125.319 121.223 0.078 0.000 1.990 353 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 353 L C 1.773 178.700 176.870 0.095 0.000 1.072 353 L CA 1.942 56.838 54.840 0.093 0.000 0.755 353 L CB -0.204 41.876 42.059 0.036 0.000 0.889 353 L HN 0.451 nan 8.230 nan 0.000 0.432 354 E N -0.317 119.918 120.200 0.060 0.000 2.072 354 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 354 E C 2.199 178.840 176.600 0.067 0.000 0.985 354 E CA 1.269 57.700 56.400 0.052 0.000 0.801 354 E CB -0.507 29.212 29.700 0.032 0.000 0.750 354 E HN 0.625 nan 8.360 nan 0.000 0.452 355 A N 1.253 124.113 122.820 0.067 0.000 1.902 355 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 355 A C 2.175 179.815 177.584 0.093 0.000 1.181 355 A CA 1.801 53.879 52.037 0.067 0.000 0.623 355 A CB -0.542 18.491 19.000 0.055 0.000 0.818 355 A HN 0.239 nan 8.150 nan 0.000 0.443 356 Q N -0.630 119.245 119.800 0.126 0.000 2.119 356 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 356 Q C 1.952 178.076 176.000 0.208 0.000 0.972 356 Q CA 1.129 57.036 55.803 0.173 0.000 0.847 356 Q CB -0.185 28.678 28.738 0.209 0.000 0.903 356 Q HN 0.684 nan 8.270 nan 0.000 0.433 357 L N 0.616 121.972 121.223 0.221 0.000 2.093 357 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 357 L C 1.882 178.819 176.870 0.112 0.000 1.085 357 L CA 0.952 55.899 54.840 0.178 0.000 0.755 357 L CB -0.306 41.812 42.059 0.098 0.000 0.904 357 L HN 0.213 nan 8.230 nan 0.000 0.435 358 D N 0.065 120.518 120.400 0.088 0.000 2.104 358 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 358 D C 2.345 178.677 176.300 0.052 0.000 0.994 358 D CA 1.174 55.212 54.000 0.062 0.000 0.830 358 D CB -0.106 40.725 40.800 0.052 0.000 0.959 358 D HN 0.228 nan 8.370 nan 0.000 0.452 359 R N -0.239 120.304 120.500 0.072 0.000 2.081 359 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 359 R C 2.402 178.723 176.300 0.036 0.000 1.131 359 R CA 1.059 57.206 56.100 0.080 0.000 0.960 359 R CB -0.600 29.780 30.300 0.133 0.000 0.856 359 R HN 0.440 nan 8.270 nan 0.000 0.436 360 H N 1.063 120.022 119.070 -0.185 0.000 2.353 360 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 360 H C 1.845 176.959 175.328 -0.358 0.000 1.090 360 H CA 1.406 57.095 56.048 -0.599 0.000 1.327 360 H CB 0.245 29.488 29.762 -0.866 0.000 1.383 360 H HN 0.160 nan 8.280 nan 0.000 0.508 361 E N 0.540 120.660 120.200 -0.134 0.000 2.077 361 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 361 E C 2.278 178.830 176.600 -0.080 0.000 0.989 361 E CA 1.022 57.377 56.400 -0.075 0.000 0.800 361 E CB -0.185 29.544 29.700 0.050 0.000 0.746 361 E HN 0.583 nan 8.360 nan 0.000 0.452 362 A N 0.540 123.327 122.820 -0.056 0.000 1.968 362 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 362 A C 2.232 179.786 177.584 -0.050 0.000 1.169 362 A CA 0.718 52.736 52.037 -0.031 0.000 0.638 362 A CB -0.396 18.601 19.000 -0.006 0.000 0.812 362 A HN 0.196 nan 8.150 nan 0.000 0.446 363 I N -1.042 119.473 120.570 -0.092 0.000 2.286 363 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 363 I C 0.878 176.930 176.117 -0.109 0.000 1.104 363 I CA 0.975 62.228 61.300 -0.077 0.000 1.397 363 I CB -0.214 37.772 38.000 -0.023 0.000 1.072 363 I HN 0.486 nan 8.210 nan 0.000 0.417 364 N N 0.555 119.127 118.700 -0.213 0.000 2.708 364 N HA -0.114 4.626 4.740 -0.000 0.000 0.255 364 N C -2.335 173.120 175.510 -0.090 0.000 1.046 364 N CA 0.062 53.035 53.050 -0.129 0.000 0.715 364 N CB -0.735 37.748 38.487 -0.006 0.000 0.895 364 N HN 0.189 nan 8.380 nan 0.000 0.545 365 P HA 0.213 nan 4.420 nan 0.000 0.277 365 P C 0.238 177.570 177.300 0.054 0.000 1.240 365 P CA -0.209 62.875 63.100 -0.026 0.000 0.798 365 P CB 0.747 32.464 31.700 0.027 0.000 0.979 366 D N 0.217 120.660 120.400 0.072 0.000 2.117 366 D HA -0.044 4.595 4.640 -0.000 0.000 0.198 366 D C 0.520 176.895 176.300 0.125 0.000 0.982 366 D CA 1.543 55.596 54.000 0.088 0.000 0.828 366 D CB 0.086 40.925 40.800 0.065 0.000 0.967 366 D HN 0.172 nan 8.370 nan 0.000 0.464 367 L N 0.099 121.407 121.223 0.142 0.000 2.410 367 L HA 0.324 4.664 4.340 -0.000 0.000 0.270 367 L C -1.156 175.859 176.870 0.243 0.000 0.983 367 L CA -0.202 54.749 54.840 0.185 0.000 0.822 367 L CB 2.522 44.688 42.059 0.177 0.000 1.285 367 L HN -0.329 nan 8.230 nan 0.000 0.409 368 T N 4.127 118.849 114.554 0.281 0.000 2.786 368 T HA 0.524 4.874 4.350 -0.000 0.000 0.283 368 T C -0.656 174.239 174.700 0.325 0.000 0.992 368 T CA -0.387 61.930 62.100 0.362 0.000 0.954 368 T CB 1.359 70.462 68.868 0.390 0.000 0.934 368 T HN 0.308 nan 8.240 nan 0.000 0.440 369 V N 4.278 124.406 119.914 0.357 0.000 2.432 369 V HA 0.571 4.691 4.120 -0.000 0.000 0.271 369 V C 0.628 176.931 176.094 0.348 0.000 1.046 369 V CA -0.588 61.890 62.300 0.298 0.000 0.945 369 V CB -0.064 31.928 31.823 0.281 0.000 0.992 369 V HN 1.205 nan 8.190 nan 0.000 0.471 370 C N 2.654 122.087 119.300 0.221 0.000 3.320 370 C HA 0.934 5.394 4.460 -0.000 0.000 0.335 370 C C 0.521 175.536 174.990 0.043 0.000 1.430 370 C CA -0.353 58.733 59.018 0.114 0.000 1.271 370 C CB 1.160 28.832 27.740 -0.115 0.000 1.609 370 C HN 1.007 nan 8.230 nan 0.000 0.457 371 G N -0.058 108.698 108.800 -0.074 0.000 2.580 371 G HA2 0.484 4.444 3.960 -0.000 0.000 0.278 371 G HA3 0.484 4.444 3.960 -0.000 0.000 0.278 371 G C 0.255 175.108 174.900 -0.079 0.000 1.212 371 G CA -0.518 44.529 45.100 -0.088 0.000 0.939 371 G HN 0.807 nan 8.290 nan 0.000 0.513 372 L N 1.035 122.217 121.223 -0.067 0.000 2.362 372 L HA 0.097 4.437 4.340 -0.000 0.000 0.219 372 L C 2.863 179.651 176.870 -0.136 0.000 1.134 372 L CA 1.597 56.386 54.840 -0.084 0.000 0.807 372 L CB -0.805 41.211 42.059 -0.071 0.000 0.927 372 L HN 0.669 nan 8.230 nan 0.000 0.447 373 G N -1.734 106.954 108.800 -0.186 0.000 2.448 373 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 373 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 373 G C 1.421 176.208 174.900 -0.189 0.000 1.135 373 G CA 0.220 45.208 45.100 -0.186 0.000 0.784 373 G HN 0.258 nan 8.290 nan 0.000 0.543 374 L N 0.267 121.354 121.223 -0.228 0.000 2.470 374 L HA 0.472 4.812 4.340 -0.000 0.000 0.219 374 L C 2.912 179.665 176.870 -0.194 0.000 1.071 374 L CA 0.743 55.418 54.840 -0.275 0.000 0.850 374 L CB -0.555 41.211 42.059 -0.489 0.000 1.040 374 L HN 0.205 nan 8.230 nan 0.000 0.475 375 A N 0.397 123.139 122.820 -0.130 0.000 1.849 375 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 375 A C 2.109 179.668 177.584 -0.042 0.000 1.202 375 A CA 2.220 54.225 52.037 -0.053 0.000 0.629 375 A CB -0.714 18.285 19.000 -0.002 0.000 0.834 375 A HN 0.462 nan 8.150 nan 0.000 0.447 376 N N 0.011 118.675 118.700 -0.061 0.000 2.120 376 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 376 N C -0.629 174.858 175.510 -0.039 0.000 1.024 376 N CA 1.787 54.808 53.050 -0.049 0.000 0.852 376 N CB -1.698 36.751 38.487 -0.063 0.000 1.003 376 N HN 0.316 nan 8.380 nan 0.000 0.424 377 P HA -0.103 nan 4.420 nan 0.000 0.216 377 P C 1.496 178.788 177.300 -0.012 0.000 1.153 377 P CA 0.786 63.859 63.100 -0.045 0.000 0.858 377 P CB 0.111 31.765 31.700 -0.077 0.000 0.789 378 L N -0.424 120.791 121.223 -0.013 0.000 2.072 378 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 378 L C 2.275 179.219 176.870 0.124 0.000 1.079 378 L CA 1.761 56.650 54.840 0.082 0.000 0.752 378 L CB -1.607 40.456 42.059 0.006 0.000 0.906 378 L HN -0.026 nan 8.230 nan 0.000 0.436 379 E N -0.228 120.009 120.200 0.062 0.000 2.085 379 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 379 E C 2.180 178.786 176.600 0.010 0.000 0.994 379 E CA 1.451 57.878 56.400 0.044 0.000 0.801 379 E CB -0.285 29.430 29.700 0.025 0.000 0.743 379 E HN 0.448 nan 8.360 nan 0.000 0.453 380 A N 1.239 124.059 122.820 0.001 0.000 2.070 380 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 380 A C 1.762 179.329 177.584 -0.027 0.000 1.159 380 A CA 1.059 53.087 52.037 -0.014 0.000 0.656 380 A CB -0.061 18.931 19.000 -0.015 0.000 0.800 380 A HN -0.045 nan 8.150 nan 0.000 0.453 381 K N -1.112 119.273 120.400 -0.024 0.000 2.410 381 K HA 0.211 4.531 4.320 -0.000 0.000 0.200 381 K C 0.982 177.418 176.600 -0.275 0.000 1.023 381 K CA 0.623 56.862 56.287 -0.079 0.000 1.149 381 K CB -0.057 32.465 32.500 0.036 0.000 0.859 381 K HN 0.716 nan 8.250 nan 0.000 0.514 382 G N 1.529 110.211 108.800 -0.197 0.000 2.141 382 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 382 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 382 G C -0.464 174.292 174.900 -0.239 0.000 0.982 382 G CA -0.005 44.965 45.100 -0.217 0.000 0.662 382 G HN 0.533 nan 8.290 nan 0.000 0.527 383 H N 0.594 119.698 119.070 0.057 0.000 2.552 383 H HA 0.632 5.188 4.556 -0.000 0.000 0.311 383 H C 0.712 176.092 175.328 0.087 0.000 1.071 383 H CA 0.013 56.114 56.048 0.088 0.000 1.307 383 H CB 1.529 31.393 29.762 0.169 0.000 1.416 383 H HN 0.541 nan 8.280 nan 0.000 0.464 384 A N 3.364 126.303 122.820 0.198 0.000 2.454 384 A HA 0.335 4.655 4.320 -0.000 0.000 0.260 384 A C 0.520 178.215 177.584 0.184 0.000 1.106 384 A CA -0.198 51.932 52.037 0.156 0.000 0.780 384 A CB -0.211 18.866 19.000 0.128 0.000 1.044 384 A HN 0.786 nan 8.150 nan 0.000 0.498 385 T N 0.286 114.937 114.554 0.162 0.000 2.932 385 T HA 0.670 5.020 4.350 -0.000 0.000 0.289 385 T C -0.563 174.238 174.700 0.168 0.000 1.039 385 T CA -0.926 61.277 62.100 0.171 0.000 1.024 385 T CB 1.673 70.626 68.868 0.141 0.000 1.090 385 T HN 0.495 nan 8.240 nan 0.000 0.496 386 K N 2.848 123.343 120.400 0.158 0.000 2.559 386 K HA 0.193 4.513 4.320 -0.000 0.000 0.249 386 K C -0.411 176.221 176.600 0.053 0.000 0.958 386 K CA -0.794 55.526 56.287 0.055 0.000 0.901 386 K CB 0.788 33.265 32.500 -0.037 0.000 1.124 386 K HN 0.864 nan 8.250 nan 0.000 0.437 387 W N 3.771 125.053 121.300 -0.030 0.000 2.322 387 W HA 0.187 4.846 4.660 -0.000 0.000 0.328 387 W C 0.310 176.817 176.519 -0.020 0.000 1.395 387 W CA -0.321 57.008 57.345 -0.027 0.000 1.267 387 W CB -0.353 29.084 29.460 -0.038 0.000 1.259 387 W HN 0.557 nan 8.180 nan 0.000 0.560 388 A N 4.753 127.628 122.820 0.090 0.000 1.969 388 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 388 A C 2.034 179.640 177.584 0.036 0.000 1.169 388 A CA 1.212 53.265 52.037 0.026 0.000 0.635 388 A CB -0.435 18.631 19.000 0.110 0.000 0.810 388 A HN 0.728 nan 8.150 nan 0.000 0.445 389 I N -0.480 120.197 120.570 0.178 0.000 2.264 389 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 389 I C 2.424 178.591 176.117 0.084 0.000 1.111 389 I CA 1.782 63.262 61.300 0.300 0.000 1.382 389 I CB -0.426 37.855 38.000 0.468 0.000 1.060 389 I HN 0.483 nan 8.210 nan 0.000 0.418 390 E N 1.279 121.170 120.200 -0.514 0.000 2.219 390 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 390 E C 2.191 178.604 176.600 -0.311 0.000 0.998 390 E CA 0.959 56.956 56.400 -0.672 0.000 0.818 390 E CB -0.027 28.787 29.700 -1.477 0.000 0.741 390 E HN 0.522 nan 8.360 nan 0.000 0.477 391 L N -0.334 120.729 121.223 -0.267 0.000 2.376 391 L HA -0.076 4.264 4.340 -0.000 0.000 0.219 391 L C 1.937 178.729 176.870 -0.130 0.000 1.133 391 L CA 0.215 54.936 54.840 -0.199 0.000 0.816 391 L CB 0.159 42.116 42.059 -0.170 0.000 0.933 391 L HN 0.056 nan 8.230 nan 0.000 0.449 392 V N -1.958 117.905 119.914 -0.085 0.000 3.590 392 V HA -0.000 4.120 4.120 -0.000 0.000 0.265 392 V C 0.946 176.860 176.094 -0.300 0.000 1.239 392 V CA 0.773 62.916 62.300 -0.262 0.000 1.117 392 V CB 0.025 31.576 31.823 -0.453 0.000 0.818 392 V HN 0.260 nan 8.190 nan 0.000 0.451 393 F N 0.246 120.098 119.950 -0.165 0.000 2.791 393 F HA 0.350 4.877 4.527 -0.000 0.000 0.308 393 F C 0.573 176.332 175.800 -0.067 0.000 1.138 393 F CA 0.111 58.061 58.000 -0.083 0.000 1.294 393 F CB 0.791 39.808 39.000 0.028 0.000 0.975 393 F HN 0.000 nan 8.300 nan 0.000 0.512 394 T N 0.020 114.565 114.554 -0.014 0.000 2.933 394 T HA 0.318 4.668 4.350 -0.000 0.000 0.305 394 T C -2.809 171.873 174.700 -0.031 0.000 1.092 394 T CA -1.678 60.410 62.100 -0.020 0.000 1.008 394 T CB 2.095 70.926 68.868 -0.063 0.000 1.102 394 T HN -0.307 nan 8.240 nan 0.000 0.469 395 P HA 0.182 nan 4.420 nan 0.000 0.264 395 P C 0.654 177.966 177.300 0.020 0.000 1.229 395 P CA -0.174 62.935 63.100 0.016 0.000 0.780 395 P CB 0.311 32.019 31.700 0.013 0.000 0.808 396 V N 0.073 120.019 119.914 0.054 0.000 3.497 396 V HA 0.239 4.359 4.120 -0.000 0.000 0.272 396 V C 0.351 176.423 176.094 -0.037 0.000 1.474 396 V CA 0.148 62.440 62.300 -0.014 0.000 1.025 396 V CB -1.058 30.718 31.823 -0.078 0.000 0.820 396 V HN 0.298 nan 8.190 nan 0.000 0.437 397 H N 0.536 119.589 119.070 -0.028 0.000 2.562 397 H HA 0.678 5.234 4.556 -0.000 0.000 0.352 397 H C -0.391 174.877 175.328 -0.101 0.000 1.125 397 H CA 0.213 56.115 56.048 -0.244 0.000 1.379 397 H CB 0.327 29.913 29.762 -0.294 0.000 1.464 397 H HN 0.236 nan 8.280 nan 0.000 0.563 398 F N -1.639 118.125 119.950 -0.310 0.000 2.183 398 F HA -0.372 4.155 4.527 -0.000 0.000 0.318 398 F C 0.468 176.140 175.800 -0.212 0.000 0.727 398 F CA 0.090 57.873 58.000 -0.362 0.000 0.912 398 F CB -1.023 37.785 39.000 -0.320 0.000 4.135 398 F HN 0.511 nan 8.300 nan 0.000 0.137 399 Y N -0.335 120.055 120.300 0.151 0.000 2.133 399 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 399 Y C 2.237 178.167 175.900 0.051 0.000 1.134 399 Y CA 1.766 59.906 58.100 0.068 0.000 1.133 399 Y CB -0.696 37.802 38.460 0.062 0.000 0.987 399 Y HN 0.572 nan 8.280 nan 0.000 0.502 400 E N 0.262 120.593 120.200 0.219 0.000 2.265 400 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 400 E C 1.289 177.947 176.600 0.096 0.000 0.996 400 E CA 1.172 57.649 56.400 0.128 0.000 0.832 400 E CB -0.060 29.692 29.700 0.088 0.000 0.756 400 E HN 0.365 nan 8.360 nan 0.000 0.491 401 Q N -1.377 118.474 119.800 0.084 0.000 2.247 401 Q HA 0.397 4.737 4.340 -0.000 0.000 0.204 401 Q C 1.353 177.368 176.000 0.024 0.000 0.872 401 Q CA 0.542 56.374 55.803 0.049 0.000 0.951 401 Q CB 0.687 29.447 28.738 0.036 0.000 1.099 401 Q HN 0.302 nan 8.270 nan 0.000 0.501 402 A N 0.209 123.057 122.820 0.047 0.000 1.933 402 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 402 A C 2.099 179.754 177.584 0.117 0.000 1.175 402 A CA 1.723 53.777 52.037 0.028 0.000 0.628 402 A CB -0.954 18.114 19.000 0.113 0.000 0.814 402 A HN 0.448 nan 8.150 nan 0.000 0.444 403 G N -0.105 108.783 108.800 0.147 0.000 2.404 403 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 403 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 403 G C 1.103 176.063 174.900 0.100 0.000 1.174 403 G CA 1.150 46.371 45.100 0.200 0.000 0.780 403 G HN 0.462 nan 8.290 nan 0.000 0.537 404 D N 0.294 120.733 120.400 0.065 0.000 2.123 404 D HA -0.110 4.529 4.640 -0.000 0.000 0.196 404 D C 2.375 178.649 176.300 -0.042 0.000 0.992 404 D CA 0.634 54.639 54.000 0.009 0.000 0.833 404 D CB -0.400 40.409 40.800 0.016 0.000 0.954 404 D HN 0.257 nan 8.370 nan 0.000 0.455 405 L N 1.059 122.271 121.223 -0.018 0.000 2.017 405 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 405 L C 2.145 179.144 176.870 0.215 0.000 1.073 405 L CA 1.933 56.779 54.840 0.011 0.000 0.745 405 L CB -0.833 41.136 42.059 -0.151 0.000 0.894 405 L HN -0.009 nan 8.230 nan 0.000 0.432 406 A N -0.580 122.378 122.820 0.229 0.000 1.933 406 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 406 A C 2.318 179.797 177.584 -0.175 0.000 1.175 406 A CA 1.491 53.644 52.037 0.194 0.000 0.628 406 A CB -1.565 17.529 19.000 0.157 0.000 0.814 406 A HN 0.554 nan 8.150 nan 0.000 0.444 407 G N -0.558 107.914 108.800 -0.546 0.000 2.422 407 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 407 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 407 G C 1.304 176.104 174.900 -0.167 0.000 1.140 407 G CA 0.958 45.748 45.100 -0.516 0.000 0.775 407 G HN 0.344 nan 8.290 nan 0.000 0.545 408 L N -0.257 120.859 121.223 -0.179 0.000 2.079 408 L HA 0.072 4.412 4.340 -0.000 0.000 0.210 408 L C 2.414 179.023 176.870 -0.435 0.000 1.081 408 L CA 1.301 55.929 54.840 -0.352 0.000 0.752 408 L CB -0.769 40.954 42.059 -0.561 0.000 0.896 408 L HN 0.275 nan 8.230 nan 0.000 0.433 409 F N -1.571 118.338 119.950 -0.069 0.000 2.374 409 F HA -0.032 4.494 4.527 -0.000 0.000 0.291 409 F C 2.636 178.438 175.800 0.004 0.000 1.084 409 F CA 0.805 58.789 58.000 -0.027 0.000 1.413 409 F CB -0.884 38.108 39.000 -0.013 0.000 1.099 409 F HN 0.095 nan 8.300 nan 0.000 0.534 410 S N 0.508 116.311 115.700 0.171 0.000 2.402 410 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 410 S C 2.081 176.755 174.600 0.124 0.000 1.021 410 S CA 0.840 59.134 58.200 0.156 0.000 0.974 410 S CB -0.570 62.768 63.200 0.230 0.000 0.800 410 S HN 0.335 nan 8.310 nan 0.000 0.484 411 R N 2.635 123.185 120.500 0.083 0.000 2.080 411 R HA -0.026 4.314 4.340 -0.000 0.000 0.236 411 R C -0.616 175.730 176.300 0.077 0.000 1.137 411 R CA 2.059 58.203 56.100 0.074 0.000 0.943 411 R CB -1.233 29.093 30.300 0.044 0.000 0.846 411 R HN 0.431 nan 8.270 nan 0.000 0.431 412 P HA -0.155 nan 4.420 nan 0.000 0.217 412 P C 1.231 178.584 177.300 0.088 0.000 1.150 412 P CA 1.349 64.503 63.100 0.089 0.000 0.832 412 P CB -0.083 31.677 31.700 0.101 0.000 0.787 413 L N -0.570 120.710 121.223 0.095 0.000 2.083 413 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 413 L C 2.968 179.882 176.870 0.074 0.000 1.083 413 L CA 1.436 56.328 54.840 0.087 0.000 0.752 413 L CB -0.682 41.434 42.059 0.094 0.000 0.899 413 L HN -0.077 nan 8.230 nan 0.000 0.433 414 R N -0.194 120.353 120.500 0.079 0.000 2.090 414 R HA -0.140 4.200 4.340 -0.000 0.000 0.228 414 R C 2.307 178.642 176.300 0.057 0.000 1.110 414 R CA 0.930 57.071 56.100 0.068 0.000 0.973 414 R CB -0.387 29.960 30.300 0.078 0.000 0.869 414 R HN 0.335 nan 8.270 nan 0.000 0.440 415 R N 1.521 122.057 120.500 0.060 0.000 2.081 415 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 415 R C 2.429 178.756 176.300 0.044 0.000 1.131 415 R CA 1.467 57.598 56.100 0.052 0.000 0.960 415 R CB -0.161 30.173 30.300 0.056 0.000 0.856 415 R HN 0.079 nan 8.270 nan 0.000 0.436 416 R N 0.126 120.655 120.500 0.049 0.000 2.091 416 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 416 R C 2.047 178.367 176.300 0.033 0.000 1.136 416 R CA 1.676 57.800 56.100 0.041 0.000 0.959 416 R CB -0.365 29.964 30.300 0.049 0.000 0.856 416 R HN 0.317 nan 8.270 nan 0.000 0.437 417 A N 1.175 124.017 122.820 0.037 0.000 1.877 417 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 417 A C 2.069 179.668 177.584 0.026 0.000 1.186 417 A CA 1.164 53.219 52.037 0.030 0.000 0.620 417 A CB -0.655 18.365 19.000 0.033 0.000 0.822 417 A HN 0.366 nan 8.150 nan 0.000 0.443 418 L N -0.405 120.835 121.223 0.029 0.000 2.127 418 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 418 L C 2.117 178.999 176.870 0.020 0.000 1.089 418 L CA 1.598 56.453 54.840 0.025 0.000 0.757 418 L CB -0.276 41.801 42.059 0.029 0.000 0.899 418 L HN 0.421 nan 8.230 nan 0.000 0.434 419 L N -0.990 120.245 121.223 0.021 0.000 2.477 419 L HA 0.033 4.373 4.340 -0.000 0.000 0.220 419 L C 1.618 178.495 176.870 0.012 0.000 1.106 419 L CA 0.837 55.687 54.840 0.016 0.000 0.851 419 L CB -0.411 41.658 42.059 0.016 0.000 0.994 419 L HN 0.521 nan 8.230 nan 0.000 0.462 420 N N -0.242 118.466 118.700 0.013 0.000 2.205 420 N HA 0.129 4.869 4.740 -0.000 0.000 0.201 420 N C 0.754 176.270 175.510 0.009 0.000 1.128 420 N CA 0.557 53.612 53.050 0.009 0.000 0.867 420 N CB 1.077 39.569 38.487 0.008 0.000 0.996 420 N HN 0.164 nan 8.380 nan 0.000 0.503 421 G N 0.000 108.806 108.800 0.011 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.106 45.100 0.010 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925