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 3amj_1_C DATA FIRST_RESID 29 DATA SEQUENCE PAASTFETTL PNGLKVVVRE DHRAPTLVHM VWYRVGSMDE TTGTTGVAHA DATA SEQUENCE LEHMMFKGTK DVGPGEFSKR VAAMGGRDNA FTTRDYTAYY QQVPSSRLSD DATA SEQUENCE VMGLEADRMA NLVVDDELFK KEIQVIAEER RWRTDDKPRS KAYEALMAAS DATA SEQUENCE YVAHPYRVPV IGWMNDIQNM TAQDVRDWYK RWYGPNNATV VVVGDVEHEA DATA SEQUENCE VFRLAEQTYG KLARVEAPAR KQQGEPQQAG VRRVTVKAPA ELPYLALAWH DATA SEQUENCE VPAIVDLDKS RDAYALEILA AVLDGYDGAR MTRQLVRGNK HAVSAGAGYD DATA SEQUENCE SLSRGQQGLF ILEGVPSKGV TIAQLETDLR AQVRDIAAKG VTEAELSRVK DATA SEQUENCE SQMVAGKVYE QDSLMGQATQ IGGLEVLGLS WRDDDRFYQQ LRSVTAAEVK DATA SEQUENCE AAAARLLTDD TLTVANLVPL PP 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.253 177.300 -0.079 0.000 1.155 29 P CA 0.000 63.067 63.100 -0.054 0.000 0.800 29 P CB 0.000 31.681 31.700 -0.031 0.000 0.726 30 A N -0.013 122.768 122.820 -0.064 0.000 2.074 30 A HA 0.638 4.958 4.320 -0.000 0.000 0.200 30 A C 1.687 179.173 177.584 -0.164 0.000 1.335 30 A CA 1.052 53.063 52.037 -0.044 0.000 0.922 30 A CB -0.485 18.562 19.000 0.078 0.000 0.972 30 A HN 0.198 nan 8.150 nan 0.000 0.475 31 A N 0.112 122.845 122.820 -0.146 0.000 2.268 31 A HA 0.348 4.668 4.320 -0.000 0.000 0.221 31 A C 1.406 178.792 177.584 -0.331 0.000 1.287 31 A CA 1.018 52.926 52.037 -0.215 0.000 0.902 31 A CB -0.581 18.381 19.000 -0.062 0.000 0.877 31 A HN 0.293 nan 8.150 nan 0.000 0.487 32 S N -0.687 114.777 115.700 -0.393 0.000 2.502 32 S HA 0.060 4.530 4.470 -0.000 0.000 0.215 32 S C 0.577 174.788 174.600 -0.648 0.000 1.009 32 S CA 0.227 58.227 58.200 -0.334 0.000 0.908 32 S CB 0.361 63.452 63.200 -0.182 0.000 0.801 32 S HN 0.582 nan 8.310 nan 0.000 0.505 33 T N 2.610 116.569 114.554 -0.992 0.000 2.767 33 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 33 T C -0.773 173.188 174.700 -1.232 0.000 0.963 33 T CA -0.176 61.227 62.100 -1.161 0.000 1.019 33 T CB 0.442 68.183 68.868 -1.879 0.000 0.923 33 T HN 0.035 nan 8.240 nan 0.000 0.468 34 F N 1.397 121.139 119.950 -0.346 0.000 2.565 34 F HA 0.553 5.080 4.527 -0.000 0.000 0.313 34 F C 0.322 176.199 175.800 0.129 0.000 1.091 34 F CA -1.103 56.834 58.000 -0.105 0.000 0.915 34 F CB 2.025 40.855 39.000 -0.284 0.000 1.208 34 F HN 0.623 nan 8.300 nan 0.000 0.453 35 E N 0.012 120.484 120.200 0.455 0.000 2.369 35 E HA 0.801 5.151 4.350 -0.000 0.000 0.270 35 E C -1.584 175.118 176.600 0.171 0.000 0.909 35 E CA -0.880 55.737 56.400 0.362 0.000 0.775 35 E CB 2.771 32.654 29.700 0.305 0.000 1.270 35 E HN 0.543 nan 8.360 nan 0.000 0.445 36 T N -0.091 114.371 114.554 -0.152 0.000 2.821 36 T HA 0.457 4.807 4.350 -0.000 0.000 0.306 36 T C -1.741 172.816 174.700 -0.240 0.000 1.313 36 T CA -0.367 61.528 62.100 -0.342 0.000 1.012 36 T CB 2.039 70.395 68.868 -0.853 0.000 1.298 36 T HN 0.622 nan 8.240 nan 0.000 0.502 37 T N 2.733 117.179 114.554 -0.181 0.000 2.879 37 T HA 0.660 5.010 4.350 -0.000 0.000 0.290 37 T C -0.449 174.184 174.700 -0.111 0.000 0.993 37 T CA -0.692 61.332 62.100 -0.126 0.000 0.975 37 T CB 0.263 69.085 68.868 -0.077 0.000 0.981 37 T HN 0.535 nan 8.240 nan 0.000 0.439 38 L N 5.104 126.270 121.223 -0.095 0.000 2.479 38 L HA 0.372 4.712 4.340 -0.000 0.000 0.248 38 L C -1.214 175.632 176.870 -0.039 0.000 1.205 38 L CA -2.253 52.549 54.840 -0.064 0.000 0.817 38 L CB 0.166 42.203 42.059 -0.037 0.000 1.162 38 L HN 0.437 nan 8.230 nan 0.000 0.486 39 P HA -0.139 nan 4.420 nan 0.000 0.218 39 P C 0.599 177.891 177.300 -0.013 0.000 1.148 39 P CA 1.346 64.436 63.100 -0.016 0.000 0.822 39 P CB -0.150 31.546 31.700 -0.008 0.000 0.784 40 N N -1.681 117.014 118.700 -0.008 0.000 2.434 40 N HA 0.059 4.799 4.740 -0.000 0.000 0.196 40 N C 1.072 176.574 175.510 -0.013 0.000 1.183 40 N CA 0.572 53.619 53.050 -0.005 0.000 0.849 40 N CB -0.402 38.091 38.487 0.009 0.000 0.992 40 N HN 0.075 nan 8.380 nan 0.000 0.460 41 G N 0.514 109.300 108.800 -0.024 0.000 2.176 41 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 41 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 41 G C -0.099 174.774 174.900 -0.045 0.000 0.979 41 G CA -0.150 44.932 45.100 -0.030 0.000 0.641 41 G HN 0.372 nan 8.290 nan 0.000 0.530 42 L N 1.162 122.352 121.223 -0.054 0.000 2.477 42 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 42 L C 0.598 177.407 176.870 -0.101 0.000 1.157 42 L CA 0.551 55.337 54.840 -0.091 0.000 0.889 42 L CB 0.749 42.750 42.059 -0.098 0.000 1.158 42 L HN 0.322 nan 8.230 nan 0.000 0.473 43 K N 3.753 124.089 120.400 -0.106 0.000 2.183 43 K HA 0.513 4.833 4.320 -0.000 0.000 0.274 43 K C -1.190 175.359 176.600 -0.085 0.000 1.009 43 K CA -0.617 55.617 56.287 -0.088 0.000 0.888 43 K CB 1.477 33.940 32.500 -0.062 0.000 1.078 43 K HN 0.483 nan 8.250 nan 0.000 0.459 44 V N 4.416 124.299 119.914 -0.050 0.000 2.555 44 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 44 V C -0.803 175.375 176.094 0.141 0.000 1.038 44 V CA -0.872 61.458 62.300 0.050 0.000 0.887 44 V CB 1.818 33.727 31.823 0.143 0.000 0.991 44 V HN 0.526 nan 8.190 nan 0.000 0.434 45 V N 4.823 124.816 119.914 0.131 0.000 2.638 45 V HA 0.593 4.713 4.120 -0.000 0.000 0.306 45 V C -0.733 175.399 176.094 0.064 0.000 1.052 45 V CA -0.547 61.814 62.300 0.103 0.000 0.885 45 V CB 2.249 34.083 31.823 0.019 0.000 0.999 45 V HN 0.593 nan 8.190 nan 0.000 0.424 46 V N 4.769 124.709 119.914 0.043 0.000 2.525 46 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 46 V C -0.329 175.722 176.094 -0.073 0.000 1.034 46 V CA -0.779 61.537 62.300 0.026 0.000 0.863 46 V CB 2.027 33.896 31.823 0.077 0.000 0.999 46 V HN 0.859 nan 8.190 nan 0.000 0.423 47 R N 3.062 123.492 120.500 -0.117 0.000 2.265 47 R HA 0.475 4.815 4.340 -0.000 0.000 0.328 47 R C -0.270 175.971 176.300 -0.099 0.000 0.969 47 R CA -0.256 55.743 56.100 -0.168 0.000 0.832 47 R CB 0.991 31.165 30.300 -0.210 0.000 1.139 47 R HN 0.753 nan 8.270 nan 0.000 0.457 48 E N 2.858 123.020 120.200 -0.063 0.000 2.052 48 E HA 0.070 4.420 4.350 -0.000 0.000 0.283 48 E C -1.046 175.419 176.600 -0.226 0.000 1.071 48 E CA -0.196 56.119 56.400 -0.143 0.000 0.851 48 E CB 0.955 30.668 29.700 0.022 0.000 1.066 48 E HN 0.364 nan 8.360 nan 0.000 0.396 49 D N 2.054 122.274 120.400 -0.299 0.000 2.462 49 D HA 0.096 4.736 4.640 -0.000 0.000 0.245 49 D C -0.122 176.023 176.300 -0.258 0.000 1.122 49 D CA -0.536 53.346 54.000 -0.197 0.000 0.864 49 D CB 0.495 41.239 40.800 -0.094 0.000 1.098 49 D HN 0.498 nan 8.370 nan 0.000 0.541 50 H N 3.067 122.144 119.070 0.013 0.000 2.538 50 H HA 0.161 4.717 4.556 -0.000 0.000 0.286 50 H C 1.493 176.828 175.328 0.011 0.000 1.035 50 H CA -0.057 55.997 56.048 0.011 0.000 1.169 50 H CB 0.658 30.425 29.762 0.009 0.000 1.417 50 H HN 0.327 nan 8.280 nan 0.000 0.567 51 R N 0.744 121.289 120.500 0.075 0.000 2.103 51 R HA -0.030 4.309 4.340 -0.000 0.000 0.242 51 R C 0.584 176.912 176.300 0.048 0.000 1.142 51 R CA 1.183 57.316 56.100 0.054 0.000 0.960 51 R CB 0.287 30.606 30.300 0.031 0.000 0.858 51 R HN 0.184 nan 8.270 nan 0.000 0.439 52 A N -0.252 122.592 122.820 0.040 0.000 2.556 52 A HA 0.402 4.722 4.320 -0.000 0.000 0.294 52 A C -2.417 175.189 177.584 0.037 0.000 1.091 52 A CA -1.346 50.712 52.037 0.036 0.000 0.704 52 A CB 1.539 20.556 19.000 0.028 0.000 1.300 52 A HN -0.071 nan 8.150 nan 0.000 0.406 53 P HA 0.074 nan 4.420 nan 0.000 0.277 53 P C 0.152 177.468 177.300 0.027 0.000 1.617 53 P CA 0.787 63.907 63.100 0.033 0.000 0.829 53 P CB -0.754 30.962 31.700 0.027 0.000 1.774 54 T N -1.270 113.299 114.554 0.025 0.000 2.864 54 T HA 0.725 5.075 4.350 -0.000 0.000 0.289 54 T C -0.693 174.023 174.700 0.026 0.000 1.082 54 T CA -0.794 61.324 62.100 0.029 0.000 1.009 54 T CB 1.827 70.716 68.868 0.035 0.000 1.234 54 T HN 0.015 nan 8.240 nan 0.000 0.526 55 L N -1.387 119.863 121.223 0.045 0.000 2.540 55 L HA 0.894 5.234 4.340 -0.000 0.000 0.256 55 L C -1.357 175.573 176.870 0.100 0.000 1.001 55 L CA -1.239 53.635 54.840 0.057 0.000 0.843 55 L CB 1.346 43.439 42.059 0.056 0.000 1.436 55 L HN 0.531 nan 8.230 nan 0.000 0.410 56 V N 1.589 121.569 119.914 0.111 0.000 2.394 56 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 56 V C -0.656 175.570 176.094 0.220 0.000 1.031 56 V CA -0.213 62.182 62.300 0.159 0.000 0.881 56 V CB 1.061 32.952 31.823 0.112 0.000 0.982 56 V HN 0.970 nan 8.190 nan 0.000 0.451 57 H N 6.793 125.964 119.070 0.169 0.000 2.762 57 H HA 0.564 5.120 4.556 -0.000 0.000 0.310 57 H C -1.179 174.295 175.328 0.243 0.000 1.004 57 H CA -0.706 55.455 56.048 0.187 0.000 1.267 57 H CB 1.109 30.976 29.762 0.174 0.000 1.437 57 H HN 0.590 nan 8.280 nan 0.000 0.498 58 M N 4.610 124.134 119.600 -0.127 0.000 2.578 58 M HA 0.316 4.796 4.480 -0.000 0.000 0.321 58 M C -0.647 175.555 176.300 -0.162 0.000 1.182 58 M CA -1.274 53.982 55.300 -0.073 0.000 0.965 58 M CB 2.753 35.471 32.600 0.197 0.000 1.694 58 M HN 0.326 nan 8.290 nan 0.000 0.461 59 V N 1.808 121.651 119.914 -0.118 0.000 2.531 59 V HA 0.572 4.692 4.120 -0.000 0.000 0.301 59 V C -2.347 173.681 176.094 -0.109 0.000 1.034 59 V CA -0.212 62.027 62.300 -0.102 0.000 0.865 59 V CB 1.423 33.157 31.823 -0.149 0.000 0.995 59 V HN 0.880 nan 8.190 nan 0.000 0.424 60 W N 6.421 127.562 121.300 -0.265 0.000 2.338 60 W HA 0.565 5.225 4.660 -0.000 0.000 0.315 60 W C -0.825 175.566 176.519 -0.214 0.000 1.005 60 W CA -0.676 56.568 57.345 -0.167 0.000 1.380 60 W CB 0.909 30.263 29.460 -0.178 0.000 1.235 60 W HN 0.550 nan 8.180 nan 0.000 0.409 61 Y N 2.328 122.695 120.300 0.111 0.000 2.393 61 Y HA 0.180 4.730 4.550 -0.000 0.000 0.338 61 Y C 1.351 177.304 175.900 0.089 0.000 1.029 61 Y CA -0.524 57.569 58.100 -0.013 0.000 1.239 61 Y CB 0.678 38.966 38.460 -0.287 0.000 1.170 61 Y HN 0.207 nan 8.280 nan 0.000 0.515 62 R N 3.610 124.221 120.500 0.185 0.000 3.206 62 R HA 0.345 4.685 4.340 -0.000 0.000 0.209 62 R C -1.478 174.846 176.300 0.039 0.000 1.632 62 R CA 0.056 56.241 56.100 0.142 0.000 1.234 62 R CB -0.505 29.849 30.300 0.089 0.000 1.270 62 R HN 0.545 nan 8.270 nan 0.000 0.665 63 V N 1.848 121.797 119.914 0.057 0.000 2.871 63 V HA 0.592 4.712 4.120 -0.000 0.000 0.283 63 V C -0.942 175.196 176.094 0.073 0.000 1.422 63 V CA -0.136 62.078 62.300 -0.144 0.000 0.943 63 V CB 1.670 33.258 31.823 -0.392 0.000 1.125 63 V HN 0.676 nan 8.190 nan 0.000 0.440 64 G N 2.989 111.820 108.800 0.051 0.000 3.021 64 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 64 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 64 G C 0.864 175.839 174.900 0.125 0.000 1.291 64 G CA 0.332 45.495 45.100 0.106 0.000 0.834 64 G HN 1.580 nan 8.290 nan 0.000 0.564 65 S N -0.665 115.059 115.700 0.041 0.000 2.447 65 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 65 S C 2.267 176.876 174.600 0.015 0.000 1.006 65 S CA 1.794 59.990 58.200 -0.007 0.000 0.957 65 S CB -0.538 62.615 63.200 -0.078 0.000 0.773 65 S HN 0.740 nan 8.310 nan 0.000 0.507 66 M N 0.326 119.956 119.600 0.050 0.000 2.686 66 M HA 0.193 4.673 4.480 -0.000 0.000 0.246 66 M C 0.302 176.595 176.300 -0.012 0.000 1.096 66 M CA 1.182 56.501 55.300 0.031 0.000 1.076 66 M CB -0.110 32.555 32.600 0.108 0.000 1.504 66 M HN -0.071 nan 8.290 nan 0.000 0.524 67 D N 1.205 121.634 120.400 0.050 0.000 2.369 67 D HA 0.120 4.760 4.640 -0.000 0.000 0.211 67 D C -0.242 176.229 176.300 0.285 0.000 1.077 67 D CA 0.208 54.245 54.000 0.063 0.000 0.842 67 D CB 0.284 40.974 40.800 -0.183 0.000 0.947 67 D HN 0.611 nan 8.370 nan 0.000 0.509 68 E N 0.984 121.320 120.200 0.227 0.000 2.313 68 E HA 0.164 4.514 4.350 -0.000 0.000 0.276 68 E C -0.100 176.589 176.600 0.149 0.000 1.031 68 E CA 0.041 56.550 56.400 0.182 0.000 0.857 68 E CB 1.041 30.687 29.700 -0.089 0.000 1.040 68 E HN -0.157 nan 8.360 nan 0.000 0.408 69 T N 2.652 117.321 114.554 0.192 0.000 2.888 69 T HA 0.011 4.361 4.350 -0.000 0.000 0.301 69 T C 0.190 174.947 174.700 0.096 0.000 1.001 69 T CA -0.081 62.108 62.100 0.148 0.000 1.147 69 T CB 0.442 69.412 68.868 0.171 0.000 0.931 69 T HN 0.348 nan 8.240 nan 0.000 0.541 70 T N 3.578 118.191 114.554 0.097 0.000 2.866 70 T HA 0.339 4.689 4.350 -0.000 0.000 0.293 70 T C 1.540 176.301 174.700 0.101 0.000 1.005 70 T CA 1.171 63.337 62.100 0.109 0.000 1.162 70 T CB 0.044 68.974 68.868 0.103 0.000 0.968 70 T HN 0.979 nan 8.240 nan 0.000 0.530 71 G N 3.292 112.167 108.800 0.126 0.000 2.254 71 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.225 71 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.225 71 G C 0.494 175.441 174.900 0.077 0.000 1.003 71 G CA 0.049 45.211 45.100 0.103 0.000 0.622 71 G HN 0.747 nan 8.290 nan 0.000 0.507 72 T N 2.541 117.123 114.554 0.048 0.000 3.438 72 T HA 0.527 4.877 4.350 -0.000 0.000 0.244 72 T C 0.475 175.125 174.700 -0.084 0.000 1.269 72 T CA 0.492 62.588 62.100 -0.007 0.000 1.371 72 T CB 0.535 69.399 68.868 -0.007 0.000 1.002 72 T HN 0.868 nan 8.240 nan 0.000 0.637 73 T N -1.319 113.198 114.554 -0.062 0.000 2.899 73 T HA 0.582 4.932 4.350 -0.000 0.000 0.284 73 T C 1.473 176.062 174.700 -0.185 0.000 1.004 73 T CA 0.182 62.187 62.100 -0.158 0.000 1.043 73 T CB 1.384 70.125 68.868 -0.211 0.000 1.013 73 T HN 0.505 nan 8.240 nan 0.000 0.518 74 G N -0.159 108.504 108.800 -0.229 0.000 2.179 74 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 74 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 74 G C 0.914 175.700 174.900 -0.190 0.000 0.977 74 G CA 0.475 45.474 45.100 -0.168 0.000 0.641 74 G HN 1.238 nan 8.290 nan 0.000 0.533 75 V N 0.763 120.460 119.914 -0.361 0.000 2.490 75 V HA 0.109 4.229 4.120 -0.000 0.000 0.250 75 V C 2.955 178.714 176.094 -0.558 0.000 1.061 75 V CA 3.040 65.040 62.300 -0.501 0.000 1.064 75 V CB -0.612 30.748 31.823 -0.773 0.000 0.670 75 V HN 1.305 nan 8.190 nan 0.000 0.461 76 A N -0.702 121.790 122.820 -0.547 0.000 1.877 76 A HA -0.299 4.021 4.320 -0.000 0.000 0.216 76 A C 2.288 179.923 177.584 0.085 0.000 1.186 76 A CA 2.008 53.996 52.037 -0.081 0.000 0.620 76 A CB -1.162 17.902 19.000 0.107 0.000 0.822 76 A HN 0.831 nan 8.150 nan 0.000 0.443 77 H N -0.214 118.826 119.070 -0.049 0.000 2.353 77 H HA -0.057 4.498 4.556 -0.000 0.000 0.300 77 H C 2.238 177.591 175.328 0.040 0.000 1.090 77 H CA 1.471 57.526 56.048 0.012 0.000 1.327 77 H CB -0.071 29.661 29.762 -0.050 0.000 1.383 77 H HN 0.419 nan 8.280 nan 0.000 0.508 78 A N 1.729 124.455 122.820 -0.156 0.000 1.902 78 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 78 A C 2.734 180.294 177.584 -0.041 0.000 1.181 78 A CA 1.056 52.983 52.037 -0.182 0.000 0.623 78 A CB -0.912 18.044 19.000 -0.073 0.000 0.818 78 A HN 0.487 nan 8.150 nan 0.000 0.443 79 L N -0.480 120.743 121.223 -0.000 0.000 1.989 79 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 79 L C 2.709 179.650 176.870 0.119 0.000 1.071 79 L CA 2.298 57.163 54.840 0.041 0.000 0.749 79 L CB -0.476 41.634 42.059 0.084 0.000 0.890 79 L HN 0.688 nan 8.230 nan 0.000 0.431 80 E N -0.731 119.601 120.200 0.219 0.000 2.136 80 E HA -0.342 4.008 4.350 -0.000 0.000 0.208 80 E C 1.972 178.781 176.600 0.349 0.000 1.035 80 E CA 2.000 58.606 56.400 0.342 0.000 0.838 80 E CB -0.259 29.572 29.700 0.218 0.000 0.748 80 E HN 0.637 nan 8.360 nan 0.000 0.459 81 H N -1.238 117.855 119.070 0.037 0.000 2.357 81 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 81 H C 2.114 177.515 175.328 0.121 0.000 1.082 81 H CA 1.294 57.374 56.048 0.052 0.000 1.342 81 H CB 0.115 29.800 29.762 -0.127 0.000 1.389 81 H HN 0.272 nan 8.280 nan 0.000 0.511 82 M N 0.009 119.711 119.600 0.169 0.000 2.460 82 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 82 M C 1.997 178.272 176.300 -0.042 0.000 1.071 82 M CA 0.708 56.046 55.300 0.063 0.000 1.096 82 M CB -0.593 32.018 32.600 0.019 0.000 1.408 82 M HN 0.255 nan 8.290 nan 0.000 0.463 83 M N -1.272 118.284 119.600 -0.074 0.000 2.446 83 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 83 M C 0.648 176.633 176.300 -0.524 0.000 1.066 83 M CA 1.139 56.221 55.300 -0.363 0.000 1.087 83 M CB -0.783 31.529 32.600 -0.480 0.000 1.406 83 M HN 0.116 nan 8.290 nan 0.000 0.459 84 F N -0.507 119.360 119.950 -0.137 0.000 2.684 84 F HA 0.172 4.700 4.527 0.001 0.000 0.298 84 F C 1.245 177.017 175.800 -0.047 0.000 1.120 84 F CA -0.073 57.864 58.000 -0.105 0.000 1.332 84 F CB 0.131 39.087 39.000 -0.073 0.000 0.986 84 F HN -0.111 nan 8.300 nan 0.000 0.524 85 K N 0.430 120.863 120.400 0.054 0.000 2.413 85 K HA 0.440 4.760 4.320 -0.000 0.000 0.204 85 K C 0.592 177.189 176.600 -0.006 0.000 1.041 85 K CA 0.322 56.633 56.287 0.039 0.000 1.082 85 K CB 0.627 33.150 32.500 0.038 0.000 0.871 85 K HN 0.231 nan 8.250 nan 0.000 0.535 86 G N 1.670 110.443 108.800 -0.045 0.000 2.784 86 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 86 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 86 G C 0.019 174.881 174.900 -0.063 0.000 1.156 86 G CA -0.354 44.728 45.100 -0.031 0.000 0.757 86 G HN 0.134 nan 8.290 nan 0.000 0.642 87 T N -0.611 113.918 114.554 -0.042 0.000 2.833 87 T HA 0.523 4.873 4.350 -0.000 0.000 0.312 87 T C 1.616 176.308 174.700 -0.013 0.000 1.085 87 T CA 0.667 62.747 62.100 -0.034 0.000 0.955 87 T CB 1.063 69.927 68.868 -0.007 0.000 1.353 87 T HN 0.663 nan 8.240 nan 0.000 0.544 88 K N -0.024 120.373 120.400 -0.005 0.000 2.103 88 K HA -0.061 4.258 4.320 -0.000 0.000 0.204 88 K C 1.769 178.373 176.600 0.006 0.000 1.052 88 K CA 1.447 57.734 56.287 0.000 0.000 0.945 88 K CB -0.126 32.375 32.500 0.002 0.000 0.722 88 K HN 0.521 nan 8.250 nan 0.000 0.443 89 D N -0.535 119.871 120.400 0.011 0.000 2.213 89 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 89 D C -0.071 176.241 176.300 0.019 0.000 0.961 89 D CA 0.727 54.735 54.000 0.013 0.000 0.853 89 D CB 0.455 41.262 40.800 0.012 0.000 0.967 89 D HN -0.113 nan 8.370 nan 0.000 0.496 90 V N 1.113 121.045 119.914 0.030 0.000 2.340 90 V HA 0.558 4.678 4.120 -0.000 0.000 0.277 90 V C 0.862 176.987 176.094 0.051 0.000 1.017 90 V CA -0.831 61.498 62.300 0.049 0.000 0.820 90 V CB 1.119 32.992 31.823 0.084 0.000 1.028 90 V HN 0.041 nan 8.190 nan 0.000 0.436 91 G N 4.689 113.513 108.800 0.040 0.000 2.489 91 G HA2 0.398 4.358 3.960 -0.000 0.000 0.271 91 G HA3 0.398 4.358 3.960 -0.000 0.000 0.271 91 G C -2.528 172.403 174.900 0.052 0.000 1.427 91 G CA -1.492 43.628 45.100 0.033 0.000 1.057 91 G HN 0.508 nan 8.290 nan 0.000 0.532 92 P HA 0.020 nan 4.420 nan 0.000 0.252 92 P C 1.002 178.352 177.300 0.083 0.000 1.147 92 P CA 1.784 64.919 63.100 0.058 0.000 0.779 92 P CB 0.060 31.785 31.700 0.042 0.000 0.733 93 G N 3.805 112.682 108.800 0.128 0.000 2.228 93 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.270 93 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.270 93 G C 1.213 176.212 174.900 0.164 0.000 0.976 93 G CA 0.172 45.368 45.100 0.160 0.000 0.636 93 G HN 0.470 nan 8.290 nan 0.000 0.542 94 E N -0.586 119.694 120.200 0.133 0.000 2.265 94 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 94 E C 1.859 178.533 176.600 0.123 0.000 0.996 94 E CA 0.863 57.323 56.400 0.100 0.000 0.832 94 E CB -0.197 29.545 29.700 0.069 0.000 0.756 94 E HN 0.680 nan 8.360 nan 0.000 0.491 95 F N 1.509 121.486 119.950 0.045 0.000 2.046 95 F HA -0.244 4.283 4.527 -0.001 0.000 0.297 95 F C 2.516 178.364 175.800 0.080 0.000 1.123 95 F CA 1.791 59.819 58.000 0.046 0.000 1.199 95 F CB -0.253 38.761 39.000 0.023 0.000 0.972 95 F HN -0.104 nan 8.300 nan 0.000 0.474 96 S N 0.173 116.078 115.700 0.342 0.000 2.382 96 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 96 S C 1.881 176.508 174.600 0.046 0.000 1.027 96 S CA 1.180 59.506 58.200 0.210 0.000 0.991 96 S CB -0.320 63.024 63.200 0.241 0.000 0.823 96 S HN 0.340 nan 8.310 nan 0.000 0.469 97 K N 0.954 121.381 120.400 0.044 0.000 2.063 97 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 97 K C 2.358 178.938 176.600 -0.033 0.000 1.048 97 K CA 1.046 57.338 56.287 0.008 0.000 0.928 97 K CB -0.167 32.343 32.500 0.018 0.000 0.713 97 K HN 0.265 nan 8.250 nan 0.000 0.442 98 R N 0.389 120.843 120.500 -0.076 0.000 2.096 98 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 98 R C 2.245 178.463 176.300 -0.138 0.000 1.127 98 R CA 1.224 57.253 56.100 -0.119 0.000 0.968 98 R CB -0.260 29.934 30.300 -0.175 0.000 0.861 98 R HN 0.034 nan 8.270 nan 0.000 0.440 99 V N 0.614 120.421 119.914 -0.179 0.000 2.719 99 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 99 V C 2.358 178.419 176.094 -0.054 0.000 1.065 99 V CA 1.548 63.766 62.300 -0.137 0.000 1.086 99 V CB -0.474 31.258 31.823 -0.152 0.000 0.700 99 V HN 0.328 nan 8.190 nan 0.000 0.467 100 A N 0.541 123.339 122.820 -0.037 0.000 1.898 100 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 100 A C 2.401 179.976 177.584 -0.015 0.000 1.181 100 A CA 1.893 53.923 52.037 -0.013 0.000 0.620 100 A CB -0.664 18.334 19.000 -0.003 0.000 0.819 100 A HN 0.552 nan 8.150 nan 0.000 0.442 101 A N -0.528 122.276 122.820 -0.026 0.000 2.015 101 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 101 A C 2.051 179.621 177.584 -0.023 0.000 1.163 101 A CA 1.452 53.476 52.037 -0.023 0.000 0.646 101 A CB -0.570 18.413 19.000 -0.027 0.000 0.806 101 A HN 0.537 nan 8.150 nan 0.000 0.448 102 M N -0.745 118.836 119.600 -0.031 0.000 2.686 102 M HA 0.122 4.602 4.480 -0.000 0.000 0.246 102 M C 1.199 177.495 176.300 -0.008 0.000 1.096 102 M CA 0.781 56.066 55.300 -0.024 0.000 1.076 102 M CB -0.158 32.420 32.600 -0.035 0.000 1.504 102 M HN 0.567 nan 8.290 nan 0.000 0.524 103 G N 1.273 110.071 108.800 -0.004 0.000 2.298 103 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.287 103 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.287 103 G C -0.007 174.904 174.900 0.019 0.000 1.075 103 G CA -0.048 45.056 45.100 0.008 0.000 0.960 103 G HN 0.663 nan 8.290 nan 0.000 0.502 104 G N -1.293 107.519 108.800 0.020 0.000 2.714 104 G HA2 0.794 4.754 3.960 -0.000 0.000 0.292 104 G HA3 0.794 4.754 3.960 -0.000 0.000 0.292 104 G C -0.460 174.469 174.900 0.048 0.000 1.308 104 G CA -1.077 44.047 45.100 0.040 0.000 0.964 104 G HN 0.447 nan 8.290 nan 0.000 0.484 105 R N -0.131 120.416 120.500 0.077 0.000 2.803 105 R HA 0.542 4.882 4.340 -0.000 0.000 0.276 105 R C -1.369 174.983 176.300 0.087 0.000 0.978 105 R CA -0.740 55.408 56.100 0.080 0.000 0.939 105 R CB 2.128 32.488 30.300 0.100 0.000 1.179 105 R HN 0.748 nan 8.270 nan 0.000 0.472 106 D N 1.516 121.931 120.400 0.024 0.000 2.947 106 D HA 0.260 4.900 4.640 -0.000 0.000 0.224 106 D C -1.216 174.941 176.300 -0.239 0.000 1.230 106 D CA -0.537 53.402 54.000 -0.102 0.000 0.871 106 D CB 1.808 42.666 40.800 0.095 0.000 1.671 106 D HN 0.422 nan 8.370 nan 0.000 0.507 107 N N -0.086 118.185 118.700 -0.715 0.000 3.343 107 N HA 0.779 5.519 4.740 -0.000 0.000 0.330 107 N C -1.689 173.496 175.510 -0.540 0.000 1.560 107 N CA -0.607 52.155 53.050 -0.480 0.000 0.752 107 N CB 2.217 40.590 38.487 -0.189 0.000 1.863 107 N HN 0.700 nan 8.380 nan 0.000 0.636 108 A N 0.262 122.931 122.820 -0.252 0.000 2.604 108 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 108 A C -1.907 175.542 177.584 -0.225 0.000 1.067 108 A CA -0.540 51.286 52.037 -0.351 0.000 0.683 108 A CB 0.719 19.670 19.000 -0.081 0.000 1.281 108 A HN 0.517 nan 8.150 nan 0.000 0.407 109 F N -1.295 118.590 119.950 -0.110 0.000 2.626 109 F HA 0.879 5.406 4.527 -0.001 0.000 0.311 109 F C -0.225 175.525 175.800 -0.083 0.000 1.088 109 F CA -0.929 57.042 58.000 -0.049 0.000 0.949 109 F CB 1.579 40.582 39.000 0.006 0.000 1.322 109 F HN 0.366 nan 8.300 nan 0.000 0.461 110 T N 0.758 115.438 114.554 0.210 0.000 2.841 110 T HA 0.702 5.052 4.350 -0.000 0.000 0.283 110 T C -0.255 174.416 174.700 -0.047 0.000 1.000 110 T CA -0.495 61.660 62.100 0.092 0.000 0.977 110 T CB 1.801 70.764 68.868 0.158 0.000 0.979 110 T HN 1.053 nan 8.240 nan 0.000 0.446 111 T N -0.031 114.382 114.554 -0.235 0.000 2.693 111 T HA 0.487 4.837 4.350 -0.000 0.000 0.278 111 T C 1.097 175.640 174.700 -0.262 0.000 0.994 111 T CA -0.926 60.968 62.100 -0.344 0.000 1.033 111 T CB 1.345 69.843 68.868 -0.616 0.000 1.342 111 T HN 0.352 nan 8.240 nan 0.000 0.538 112 R N 0.053 120.402 120.500 -0.251 0.000 2.105 112 R HA -0.032 4.308 4.340 -0.000 0.000 0.239 112 R C 1.172 177.456 176.300 -0.028 0.000 1.135 112 R CA 2.102 58.128 56.100 -0.124 0.000 0.967 112 R CB -0.288 29.853 30.300 -0.265 0.000 0.861 112 R HN 0.600 nan 8.270 nan 0.000 0.442 113 D N -1.954 118.373 120.400 -0.122 0.000 2.366 113 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 113 D C -0.462 175.956 176.300 0.196 0.000 1.022 113 D CA 0.579 54.629 54.000 0.083 0.000 0.868 113 D CB 0.591 41.527 40.800 0.225 0.000 0.953 113 D HN 0.227 nan 8.370 nan 0.000 0.514 114 Y N -3.895 116.489 120.300 0.139 0.000 2.774 114 Y HA 0.496 5.046 4.550 -0.000 0.000 0.346 114 Y C -1.411 174.587 175.900 0.162 0.000 1.222 114 Y CA -1.343 56.862 58.100 0.175 0.000 1.088 114 Y CB 0.624 39.254 38.460 0.284 0.000 1.354 114 Y HN -0.372 nan 8.280 nan 0.000 0.455 115 T N 1.758 116.559 114.554 0.411 0.000 2.848 115 T HA 0.853 5.203 4.350 -0.000 0.000 0.285 115 T C -0.731 174.027 174.700 0.096 0.000 0.995 115 T CA -0.299 61.943 62.100 0.236 0.000 0.970 115 T CB 1.394 70.414 68.868 0.253 0.000 0.976 115 T HN 0.995 nan 8.240 nan 0.000 0.441 116 A N 2.900 125.528 122.820 -0.319 0.000 2.374 116 A HA 0.888 5.208 4.320 -0.000 0.000 0.317 116 A C -1.709 175.268 177.584 -1.012 0.000 1.094 116 A CA -0.775 50.791 52.037 -0.785 0.000 0.765 116 A CB 1.009 19.160 19.000 -1.416 0.000 1.268 116 A HN 0.824 nan 8.150 nan 0.000 0.438 117 Y N 0.098 120.173 120.300 -0.375 0.000 2.477 117 Y HA 0.605 5.154 4.550 -0.000 0.000 0.347 117 Y C -0.544 175.287 175.900 -0.115 0.000 0.981 117 Y CA -0.551 57.420 58.100 -0.214 0.000 1.033 117 Y CB 2.053 40.458 38.460 -0.092 0.000 1.245 117 Y HN 0.794 nan 8.280 nan 0.000 0.455 118 Y N -0.715 119.593 120.300 0.013 0.000 2.581 118 Y HA 0.817 5.366 4.550 -0.001 0.000 0.337 118 Y C -1.954 174.046 175.900 0.167 0.000 1.108 118 Y CA -1.389 56.732 58.100 0.035 0.000 1.033 118 Y CB 1.666 40.102 38.460 -0.040 0.000 1.318 118 Y HN 0.517 nan 8.280 nan 0.000 0.459 119 Q N 1.930 121.938 119.800 0.346 0.000 2.323 119 Q HA 0.431 4.771 4.340 -0.000 0.000 0.271 119 Q C -1.594 174.593 176.000 0.312 0.000 1.048 119 Q CA -0.818 55.152 55.803 0.279 0.000 0.792 119 Q CB 2.770 31.660 28.738 0.252 0.000 1.280 119 Q HN 0.679 nan 8.270 nan 0.000 0.441 120 Q N 1.045 121.004 119.800 0.266 0.000 2.303 120 Q HA 0.708 5.048 4.340 -0.000 0.000 0.257 120 Q C -1.021 175.059 176.000 0.133 0.000 0.941 120 Q CA -0.501 55.423 55.803 0.201 0.000 0.931 120 Q CB 1.677 30.529 28.738 0.191 0.000 1.215 120 Q HN 0.352 nan 8.270 nan 0.000 0.437 121 V N 4.355 124.334 119.914 0.110 0.000 3.012 121 V HA 0.376 4.496 4.120 -0.000 0.000 0.307 121 V C -2.503 173.622 176.094 0.051 0.000 1.166 121 V CA -2.243 60.099 62.300 0.071 0.000 0.974 121 V CB 2.788 34.650 31.823 0.065 0.000 1.040 121 V HN 0.631 nan 8.190 nan 0.000 0.428 122 P HA 0.075 nan 4.420 nan 0.000 0.267 122 P C 0.630 177.941 177.300 0.018 0.000 1.209 122 P CA 0.212 63.326 63.100 0.023 0.000 0.763 122 P CB 0.560 32.269 31.700 0.014 0.000 0.816 123 S N 1.092 116.804 115.700 0.019 0.000 2.641 123 S HA -0.103 4.367 4.470 -0.000 0.000 0.239 123 S C 1.371 175.973 174.600 0.004 0.000 0.972 123 S CA 1.014 59.222 58.200 0.015 0.000 0.954 123 S CB -1.052 62.158 63.200 0.015 0.000 0.767 123 S HN 0.462 nan 8.310 nan 0.000 0.539 124 S N 1.220 116.920 115.700 0.000 0.000 2.458 124 S HA 0.212 4.682 4.470 -0.000 0.000 0.223 124 S C 1.641 176.230 174.600 -0.019 0.000 1.019 124 S CA -0.430 57.764 58.200 -0.009 0.000 0.937 124 S CB -0.199 62.997 63.200 -0.007 0.000 0.788 124 S HN 0.366 nan 8.310 nan 0.000 0.511 125 R N 0.914 121.402 120.500 -0.019 0.000 2.319 125 R HA 0.332 4.672 4.340 -0.000 0.000 0.204 125 R C 1.659 177.927 176.300 -0.053 0.000 0.954 125 R CA -0.065 56.015 56.100 -0.034 0.000 1.066 125 R CB -1.116 29.167 30.300 -0.029 0.000 0.991 125 R HN 0.421 nan 8.270 nan 0.000 0.486 126 L N 1.413 122.605 121.223 -0.051 0.000 1.990 126 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 126 L C 2.117 178.912 176.870 -0.125 0.000 1.072 126 L CA 2.411 57.198 54.840 -0.088 0.000 0.755 126 L CB -0.921 41.107 42.059 -0.052 0.000 0.889 126 L HN 0.232 nan 8.230 nan 0.000 0.432 127 S N -1.289 114.362 115.700 -0.083 0.000 2.387 127 S HA -0.225 4.245 4.470 -0.000 0.000 0.230 127 S C 1.667 176.205 174.600 -0.103 0.000 1.035 127 S CA 1.371 59.521 58.200 -0.083 0.000 1.014 127 S CB -0.963 62.204 63.200 -0.055 0.000 0.836 127 S HN 0.587 nan 8.310 nan 0.000 0.466 128 D N 1.698 122.040 120.400 -0.096 0.000 2.117 128 D HA -0.045 4.595 4.640 -0.000 0.000 0.198 128 D C 2.338 178.566 176.300 -0.120 0.000 0.982 128 D CA 1.507 55.449 54.000 -0.098 0.000 0.828 128 D CB -0.685 40.063 40.800 -0.085 0.000 0.967 128 D HN 0.569 nan 8.370 nan 0.000 0.464 129 V N -1.412 118.417 119.914 -0.141 0.000 2.379 129 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 129 V C 2.319 178.326 176.094 -0.146 0.000 1.044 129 V CA 0.909 63.136 62.300 -0.121 0.000 1.036 129 V CB -0.694 31.088 31.823 -0.068 0.000 0.664 129 V HN 0.028 nan 8.190 nan 0.000 0.453 130 M N 1.375 120.788 119.600 -0.312 0.000 2.065 130 M HA -0.080 4.400 4.480 -0.000 0.000 0.259 130 M C 2.430 178.507 176.300 -0.371 0.000 1.069 130 M CA 2.445 57.545 55.300 -0.334 0.000 1.110 130 M CB -1.214 31.244 32.600 -0.238 0.000 1.328 130 M HN 0.571 nan 8.290 nan 0.000 0.405 131 G N 0.350 109.015 108.800 -0.226 0.000 2.440 131 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 131 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 131 G C 1.367 176.211 174.900 -0.092 0.000 1.154 131 G CA 0.740 45.743 45.100 -0.163 0.000 0.767 131 G HN 0.225 nan 8.290 nan 0.000 0.552 132 L N 0.392 121.597 121.223 -0.030 0.000 2.056 132 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 132 L C 2.760 179.780 176.870 0.249 0.000 1.078 132 L CA 1.360 56.267 54.840 0.111 0.000 0.749 132 L CB -0.495 41.587 42.059 0.038 0.000 0.901 132 L HN 0.136 nan 8.230 nan 0.000 0.433 133 E N -0.697 119.642 120.200 0.232 0.000 2.152 133 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 133 E C 2.163 178.845 176.600 0.136 0.000 0.983 133 E CA 1.095 57.639 56.400 0.241 0.000 0.818 133 E CB -0.163 29.800 29.700 0.439 0.000 0.758 133 E HN 0.421 nan 8.360 nan 0.000 0.467 134 A N 1.150 123.888 122.820 -0.136 0.000 2.168 134 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 134 A C 1.814 179.397 177.584 -0.003 0.000 1.152 134 A CA 1.396 53.336 52.037 -0.161 0.000 0.716 134 A CB -0.200 18.489 19.000 -0.519 0.000 0.794 134 A HN 0.074 nan 8.150 nan 0.000 0.465 135 D N -0.346 120.064 120.400 0.016 0.000 2.120 135 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 135 D C 2.044 178.388 176.300 0.075 0.000 0.972 135 D CA 0.888 54.916 54.000 0.047 0.000 0.837 135 D CB -0.142 40.687 40.800 0.049 0.000 0.989 135 D HN 0.319 nan 8.370 nan 0.000 0.469 136 R N -0.554 119.983 120.500 0.062 0.000 2.241 136 R HA 0.034 4.374 4.340 -0.000 0.000 0.224 136 R C 2.083 178.487 176.300 0.174 0.000 1.101 136 R CA 0.722 56.822 56.100 0.000 0.000 0.995 136 R CB -0.153 30.034 30.300 -0.189 0.000 0.870 136 R HN 0.260 nan 8.270 nan 0.000 0.463 137 M N -1.796 117.951 119.600 0.246 0.000 2.502 137 M HA 0.143 4.623 4.480 -0.000 0.000 0.243 137 M C 0.626 177.078 176.300 0.254 0.000 1.130 137 M CA 0.913 56.418 55.300 0.342 0.000 1.055 137 M CB 0.712 33.533 32.600 0.369 0.000 1.457 137 M HN 0.182 nan 8.290 nan 0.000 0.488 138 A N -0.873 122.105 122.820 0.264 0.000 2.574 138 A HA 0.251 4.571 4.320 -0.000 0.000 0.170 138 A C 0.634 178.348 177.584 0.217 0.000 1.617 138 A CA -0.253 51.899 52.037 0.192 0.000 1.189 138 A CB 0.014 19.077 19.000 0.104 0.000 1.496 138 A HN 0.494 nan 8.150 nan 0.000 0.505 139 N N -0.338 118.469 118.700 0.179 0.000 2.204 139 N HA 0.292 5.032 4.740 -0.000 0.000 0.219 139 N C -0.364 175.161 175.510 0.024 0.000 1.151 139 N CA -0.148 52.957 53.050 0.092 0.000 0.867 139 N CB 0.836 39.355 38.487 0.054 0.000 1.043 139 N HN 0.371 nan 8.380 nan 0.000 0.516 140 L N 1.855 123.061 121.223 -0.029 0.000 2.433 140 L HA 0.232 4.572 4.340 -0.000 0.000 0.275 140 L C -0.277 176.438 176.870 -0.259 0.000 1.128 140 L CA -0.186 54.499 54.840 -0.259 0.000 0.875 140 L CB 0.540 42.228 42.059 -0.618 0.000 1.171 140 L HN -0.109 nan 8.230 nan 0.000 0.463 141 V N 7.011 126.827 119.914 -0.163 0.000 2.394 141 V HA 0.474 4.594 4.120 -0.000 0.000 0.282 141 V C -0.684 175.331 176.094 -0.132 0.000 1.031 141 V CA -0.490 61.736 62.300 -0.124 0.000 0.881 141 V CB 1.813 33.599 31.823 -0.061 0.000 0.982 141 V HN 0.629 nan 8.190 nan 0.000 0.451 142 V N 7.780 127.613 119.914 -0.134 0.000 2.318 142 V HA 0.462 4.582 4.120 -0.000 0.000 0.271 142 V C -0.105 175.958 176.094 -0.051 0.000 1.030 142 V CA -0.394 61.847 62.300 -0.099 0.000 0.844 142 V CB 1.085 32.825 31.823 -0.137 0.000 1.015 142 V HN 1.063 nan 8.190 nan 0.000 0.460 143 D N 4.673 125.069 120.400 -0.007 0.000 2.264 143 D HA 0.110 4.750 4.640 -0.000 0.000 0.250 143 D C 0.458 176.794 176.300 0.059 0.000 1.113 143 D CA -0.359 53.648 54.000 0.012 0.000 0.871 143 D CB 1.722 42.530 40.800 0.013 0.000 1.167 143 D HN 0.644 nan 8.370 nan 0.000 0.447 144 D N 3.197 123.626 120.400 0.047 0.000 2.190 144 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 144 D C 1.329 177.711 176.300 0.137 0.000 0.992 144 D CA 0.988 55.048 54.000 0.100 0.000 0.854 144 D CB 0.419 41.251 40.800 0.053 0.000 0.936 144 D HN 0.570 nan 8.370 nan 0.000 0.462 145 E N 0.832 121.079 120.200 0.079 0.000 2.028 145 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 145 E C 2.621 179.256 176.600 0.057 0.000 0.988 145 E CA 0.310 56.744 56.400 0.057 0.000 0.799 145 E CB -0.375 29.345 29.700 0.034 0.000 0.755 145 E HN 0.374 nan 8.360 nan 0.000 0.447 146 L N 0.039 121.301 121.223 0.065 0.000 2.083 146 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 146 L C 2.511 179.420 176.870 0.066 0.000 1.083 146 L CA 0.961 55.834 54.840 0.055 0.000 0.752 146 L CB -0.480 41.611 42.059 0.055 0.000 0.899 146 L HN 0.057 nan 8.230 nan 0.000 0.433 147 F N 1.146 121.083 119.950 -0.022 0.000 2.113 147 F HA -0.187 4.340 4.527 0.000 0.000 0.297 147 F C 2.476 178.259 175.800 -0.029 0.000 1.103 147 F CA 1.559 59.541 58.000 -0.030 0.000 1.248 147 F CB -0.146 38.832 39.000 -0.037 0.000 0.999 147 F HN -0.162 nan 8.300 nan 0.000 0.475 148 K N 0.287 120.637 120.400 -0.084 0.000 2.057 148 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 148 K C 2.168 178.649 176.600 -0.198 0.000 1.049 148 K CA 1.728 57.911 56.287 -0.173 0.000 0.931 148 K CB -0.265 32.235 32.500 0.001 0.000 0.714 148 K HN 0.224 nan 8.250 nan 0.000 0.440 149 K N 1.341 121.671 120.400 -0.117 0.000 2.032 149 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 149 K C 2.044 178.563 176.600 -0.134 0.000 1.048 149 K CA 1.753 57.985 56.287 -0.092 0.000 0.927 149 K CB 0.034 32.511 32.500 -0.039 0.000 0.712 149 K HN -0.055 nan 8.250 nan 0.000 0.441 150 E N 0.315 120.407 120.200 -0.179 0.000 2.152 150 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 150 E C 1.743 178.165 176.600 -0.297 0.000 0.983 150 E CA 0.636 56.931 56.400 -0.175 0.000 0.818 150 E CB -0.016 29.619 29.700 -0.108 0.000 0.758 150 E HN 0.251 nan 8.360 nan 0.000 0.467 151 I N 0.874 121.148 120.570 -0.494 0.000 2.286 151 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 151 I C 1.951 177.904 176.117 -0.273 0.000 1.115 151 I CA 1.501 62.515 61.300 -0.477 0.000 1.392 151 I CB -0.736 36.850 38.000 -0.690 0.000 1.065 151 I HN 0.290 nan 8.210 nan 0.000 0.418 152 Q N -0.502 119.166 119.800 -0.219 0.000 2.167 152 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 152 Q C 2.313 178.243 176.000 -0.117 0.000 0.970 152 Q CA 1.069 56.786 55.803 -0.144 0.000 0.855 152 Q CB 0.025 28.698 28.738 -0.108 0.000 0.911 152 Q HN 0.319 nan 8.270 nan 0.000 0.438 153 V N 0.378 120.227 119.914 -0.109 0.000 2.343 153 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 153 V C 1.939 177.986 176.094 -0.078 0.000 1.051 153 V CA 1.437 63.704 62.300 -0.055 0.000 1.036 153 V CB -0.282 31.539 31.823 -0.004 0.000 0.654 153 V HN 0.302 nan 8.190 nan 0.000 0.451 154 I N 0.551 121.022 120.570 -0.164 0.000 2.226 154 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 154 I C 2.534 178.579 176.117 -0.120 0.000 1.100 154 I CA 1.643 62.849 61.300 -0.157 0.000 1.374 154 I CB -0.753 37.114 38.000 -0.222 0.000 1.057 154 I HN 0.210 nan 8.210 nan 0.000 0.413 155 A N -0.301 122.434 122.820 -0.142 0.000 1.908 155 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 155 A C 2.289 179.745 177.584 -0.213 0.000 1.181 155 A CA 2.096 54.041 52.037 -0.154 0.000 0.627 155 A CB -0.670 18.243 19.000 -0.144 0.000 0.818 155 A HN 0.414 nan 8.150 nan 0.000 0.445 156 E N -0.198 119.881 120.200 -0.202 0.000 2.051 156 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 156 E C 1.967 178.411 176.600 -0.260 0.000 0.991 156 E CA 1.566 57.792 56.400 -0.289 0.000 0.799 156 E CB -0.247 29.399 29.700 -0.090 0.000 0.748 156 E HN 0.698 nan 8.360 nan 0.000 0.449 157 E N -0.160 119.990 120.200 -0.083 0.000 2.219 157 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 157 E C 2.116 178.672 176.600 -0.073 0.000 0.998 157 E CA 0.963 57.358 56.400 -0.008 0.000 0.818 157 E CB 0.007 29.744 29.700 0.061 0.000 0.741 157 E HN 0.085 nan 8.360 nan 0.000 0.477 158 R N -0.085 120.333 120.500 -0.138 0.000 2.062 158 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 158 R C 2.301 178.504 176.300 -0.162 0.000 1.125 158 R CA 0.923 56.941 56.100 -0.136 0.000 0.966 158 R CB 0.062 30.287 30.300 -0.124 0.000 0.861 158 R HN -0.039 nan 8.270 nan 0.000 0.433 159 R N -0.383 119.930 120.500 -0.312 0.000 2.080 159 R HA -0.150 4.190 4.340 -0.000 0.000 0.236 159 R C 1.897 178.065 176.300 -0.219 0.000 1.137 159 R CA 2.501 58.344 56.100 -0.427 0.000 0.943 159 R CB -0.381 29.392 30.300 -0.880 0.000 0.846 159 R HN 0.379 nan 8.270 nan 0.000 0.431 160 W N -0.649 120.641 121.300 -0.017 0.000 2.443 160 W HA 0.030 4.692 4.660 0.004 0.000 0.296 160 W C 2.130 178.633 176.519 -0.027 0.000 1.202 160 W CA -0.067 57.267 57.345 -0.018 0.000 1.312 160 W CB -0.007 29.445 29.460 -0.013 0.000 1.120 160 W HN -0.036 nan 8.180 nan 0.000 0.536 161 R N -0.531 120.065 120.500 0.161 0.000 2.246 161 R HA 0.092 4.432 4.340 -0.000 0.000 0.199 161 R C 1.476 177.780 176.300 0.007 0.000 0.984 161 R CA 1.195 57.336 56.100 0.067 0.000 1.015 161 R CB -0.010 30.308 30.300 0.030 0.000 0.930 161 R HN 0.102 nan 8.270 nan 0.000 0.475 162 T N -0.195 114.358 114.554 -0.002 0.000 3.238 162 T HA 0.025 4.375 4.350 -0.000 0.000 0.242 162 T C 0.925 175.626 174.700 0.002 0.000 0.980 162 T CA 0.192 62.280 62.100 -0.021 0.000 1.235 162 T CB 0.049 68.892 68.868 -0.042 0.000 1.069 162 T HN -0.008 nan 8.240 nan 0.000 0.407 163 D N 1.975 122.376 120.400 0.002 0.000 2.117 163 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 163 D C 1.342 177.672 176.300 0.050 0.000 0.987 163 D CA 1.083 55.092 54.000 0.015 0.000 0.829 163 D CB -0.153 40.636 40.800 -0.018 0.000 0.961 163 D HN 0.312 nan 8.370 nan 0.000 0.460 164 D N -0.017 120.442 120.400 0.098 0.000 2.349 164 D HA 0.015 4.654 4.640 -0.000 0.000 0.214 164 D C -0.092 176.262 176.300 0.091 0.000 1.063 164 D CA 0.167 54.253 54.000 0.145 0.000 0.847 164 D CB 0.543 41.532 40.800 0.315 0.000 0.933 164 D HN -0.051 nan 8.370 nan 0.000 0.513 165 K N 0.724 121.153 120.400 0.047 0.000 2.367 165 K HA 0.274 4.594 4.320 -0.000 0.000 0.263 165 K C -1.818 174.752 176.600 -0.050 0.000 1.000 165 K CA -2.247 54.039 56.287 -0.002 0.000 0.891 165 K CB 2.084 34.574 32.500 -0.017 0.000 1.117 165 K HN -0.239 nan 8.250 nan 0.000 0.443 166 P HA -0.199 nan 4.420 nan 0.000 0.214 166 P C 1.135 178.204 177.300 -0.385 0.000 1.163 166 P CA 0.957 63.983 63.100 -0.124 0.000 0.883 166 P CB 0.308 31.990 31.700 -0.029 0.000 0.788 167 R N -0.104 120.049 120.500 -0.580 0.000 2.112 167 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 167 R C 2.319 178.470 176.300 -0.247 0.000 1.137 167 R CA 2.174 57.841 56.100 -0.721 0.000 0.944 167 R CB -1.279 28.796 30.300 -0.374 0.000 0.857 167 R HN 0.146 nan 8.270 nan 0.000 0.435 168 S N 0.411 116.016 115.700 -0.158 0.000 2.368 168 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 168 S C 1.794 176.397 174.600 0.004 0.000 1.029 168 S CA 0.855 59.014 58.200 -0.067 0.000 0.988 168 S CB -0.052 63.102 63.200 -0.076 0.000 0.838 168 S HN 0.182 nan 8.310 nan 0.000 0.462 169 K N 1.787 122.172 120.400 -0.025 0.000 2.057 169 K HA 0.107 4.427 4.320 -0.000 0.000 0.206 169 K C 2.151 178.769 176.600 0.030 0.000 1.050 169 K CA 1.264 57.558 56.287 0.011 0.000 0.935 169 K CB -0.773 31.731 32.500 0.006 0.000 0.715 169 K HN 0.295 nan 8.250 nan 0.000 0.439 170 A N -0.072 122.745 122.820 -0.005 0.000 1.865 170 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 170 A C 2.214 179.816 177.584 0.030 0.000 1.191 170 A CA 1.513 53.565 52.037 0.026 0.000 0.623 170 A CB -0.954 18.076 19.000 0.050 0.000 0.826 170 A HN 0.347 nan 8.150 nan 0.000 0.444 171 Y N -0.322 119.955 120.300 -0.039 0.000 2.097 171 Y HA -0.252 4.298 4.550 0.000 0.000 0.282 171 Y C 2.586 178.499 175.900 0.021 0.000 1.152 171 Y CA 2.122 60.219 58.100 -0.005 0.000 1.136 171 Y CB -0.237 38.203 38.460 -0.033 0.000 0.975 171 Y HN 0.550 nan 8.280 nan 0.000 0.498 172 E N 0.016 120.319 120.200 0.171 0.000 2.058 172 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 172 E C 2.303 178.992 176.600 0.148 0.000 0.997 172 E CA 1.221 57.704 56.400 0.138 0.000 0.801 172 E CB -0.273 29.496 29.700 0.115 0.000 0.746 172 E HN 0.436 nan 8.360 nan 0.000 0.450 173 A N 0.896 123.779 122.820 0.105 0.000 1.902 173 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 173 A C 2.137 179.752 177.584 0.051 0.000 1.181 173 A CA 1.441 53.525 52.037 0.078 0.000 0.623 173 A CB -0.665 18.362 19.000 0.046 0.000 0.818 173 A HN 0.406 nan 8.150 nan 0.000 0.443 174 L N -0.807 120.423 121.223 0.011 0.000 2.005 174 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 174 L C 2.389 179.269 176.870 0.016 0.000 1.072 174 L CA 2.072 56.884 54.840 -0.047 0.000 0.744 174 L CB -0.511 41.441 42.059 -0.179 0.000 0.895 174 L HN 0.314 nan 8.230 nan 0.000 0.433 175 M N -0.499 119.161 119.600 0.100 0.000 2.175 175 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 175 M C 2.372 178.827 176.300 0.257 0.000 1.063 175 M CA 1.645 57.078 55.300 0.222 0.000 1.119 175 M CB -1.618 31.142 32.600 0.268 0.000 1.377 175 M HN 0.450 nan 8.290 nan 0.000 0.415 176 A N -0.184 122.773 122.820 0.229 0.000 2.070 176 A HA 0.131 4.451 4.320 -0.000 0.000 0.220 176 A C 2.281 179.979 177.584 0.189 0.000 1.159 176 A CA 1.838 54.038 52.037 0.272 0.000 0.656 176 A CB -0.496 18.701 19.000 0.328 0.000 0.800 176 A HN 0.500 nan 8.150 nan 0.000 0.453 177 A N -1.956 120.934 122.820 0.117 0.000 2.055 177 A HA 0.241 4.561 4.320 -0.000 0.000 0.205 177 A C 2.230 179.828 177.584 0.023 0.000 1.235 177 A CA 1.216 53.287 52.037 0.057 0.000 0.822 177 A CB -0.583 18.424 19.000 0.012 0.000 0.903 177 A HN 0.428 nan 8.150 nan 0.000 0.473 178 S N -1.219 114.469 115.700 -0.020 0.000 2.383 178 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 178 S C 0.193 174.758 174.600 -0.058 0.000 1.026 178 S CA 0.673 58.788 58.200 -0.142 0.000 0.981 178 S CB -0.312 62.728 63.200 -0.265 0.000 0.818 178 S HN 0.489 nan 8.310 nan 0.000 0.472 179 Y N 1.274 121.717 120.300 0.238 0.000 2.417 179 Y HA 0.316 4.866 4.550 -0.000 0.000 0.336 179 Y C 1.039 177.042 175.900 0.172 0.000 0.961 179 Y CA -0.728 57.503 58.100 0.218 0.000 1.215 179 Y CB 1.378 39.965 38.460 0.212 0.000 1.120 179 Y HN 0.068 nan 8.280 nan 0.000 0.499 180 V N 0.252 120.343 119.914 0.295 0.000 2.591 180 V HA -0.020 4.100 4.120 -0.000 0.000 0.249 180 V C 1.289 177.490 176.094 0.179 0.000 1.053 180 V CA 1.964 64.382 62.300 0.195 0.000 1.068 180 V CB -0.067 31.840 31.823 0.140 0.000 0.689 180 V HN 0.741 nan 8.190 nan 0.000 0.462 181 A N -0.898 122.039 122.820 0.195 0.000 1.975 181 A HA 0.282 4.602 4.320 -0.000 0.000 0.197 181 A C 1.100 178.742 177.584 0.098 0.000 1.537 181 A CA 0.306 52.421 52.037 0.130 0.000 0.972 181 A CB -0.572 18.488 19.000 0.100 0.000 1.019 181 A HN 0.675 nan 8.150 nan 0.000 0.488 182 H N 1.308 120.383 119.070 0.010 0.000 2.972 182 H HA 0.195 4.751 4.556 -0.000 0.000 0.343 182 H C -1.947 173.305 175.328 -0.126 0.000 1.054 182 H CA -0.609 55.346 56.048 -0.154 0.000 1.412 182 H CB 1.043 30.575 29.762 -0.383 0.000 1.385 182 H HN 0.048 nan 8.280 nan 0.000 0.600 183 P HA -0.142 nan 4.420 nan 0.000 0.228 183 P C 0.541 177.859 177.300 0.030 0.000 1.151 183 P CA 1.315 64.277 63.100 -0.231 0.000 0.770 183 P CB -0.010 31.503 31.700 -0.312 0.000 0.786 184 Y N 0.565 120.880 120.300 0.025 0.000 2.574 184 Y HA -0.158 4.393 4.550 0.001 0.000 0.294 184 Y C 2.482 178.421 175.900 0.066 0.000 1.142 184 Y CA -0.040 58.073 58.100 0.023 0.000 1.314 184 Y CB -0.285 38.124 38.460 -0.085 0.000 0.991 184 Y HN 0.068 nan 8.280 nan 0.000 0.555 185 R N 0.267 120.931 120.500 0.274 0.000 2.189 185 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 185 R C 0.233 176.634 176.300 0.169 0.000 1.092 185 R CA 0.528 56.810 56.100 0.303 0.000 0.989 185 R CB -0.720 29.783 30.300 0.338 0.000 0.876 185 R HN -0.020 nan 8.270 nan 0.000 0.457 186 V N 4.667 124.594 119.914 0.022 0.000 2.408 186 V HA 0.218 4.338 4.120 -0.000 0.000 0.267 186 V C -1.914 173.979 176.094 -0.335 0.000 1.047 186 V CA -2.168 59.948 62.300 -0.307 0.000 0.937 186 V CB 1.019 32.649 31.823 -0.321 0.000 0.999 186 V HN 0.218 nan 8.190 nan 0.000 0.472 187 P HA 0.023 nan 4.420 nan 0.000 0.265 187 P C 1.106 178.210 177.300 -0.326 0.000 1.187 187 P CA 0.197 63.106 63.100 -0.318 0.000 0.766 187 P CB 1.025 32.529 31.700 -0.326 0.000 0.820 188 V N 4.043 123.816 119.914 -0.234 0.000 2.332 188 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 188 V C 2.380 178.333 176.094 -0.235 0.000 1.055 188 V CA 1.693 63.866 62.300 -0.212 0.000 1.038 188 V CB -0.947 30.765 31.823 -0.184 0.000 0.651 188 V HN 0.574 nan 8.190 nan 0.000 0.450 189 I N -0.447 119.956 120.570 -0.278 0.000 2.700 189 I HA 0.097 4.267 4.170 -0.000 0.000 0.261 189 I C 1.086 177.074 176.117 -0.214 0.000 1.219 189 I CA 1.077 62.200 61.300 -0.296 0.000 1.463 189 I CB -0.353 37.456 38.000 -0.318 0.000 1.092 189 I HN 0.524 nan 8.210 nan 0.000 0.452 190 G N -0.736 107.889 108.800 -0.291 0.000 2.663 190 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.686 190 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.686 190 G C -0.826 173.907 174.900 -0.279 0.000 1.288 190 G CA -0.462 44.439 45.100 -0.332 0.000 0.836 190 G HN 0.339 nan 8.290 nan 0.000 0.584 191 W N 0.246 121.521 121.300 -0.041 0.000 2.150 191 W HA 0.480 5.140 4.660 -0.000 0.000 0.341 191 W C 1.705 178.195 176.519 -0.048 0.000 1.276 191 W CA -0.270 57.052 57.345 -0.038 0.000 1.238 191 W CB 0.624 30.069 29.460 -0.025 0.000 1.128 191 W HN 0.678 nan 8.180 nan 0.000 0.581 192 M N 2.038 121.769 119.600 0.219 0.000 2.175 192 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 192 M C 1.593 177.931 176.300 0.063 0.000 1.063 192 M CA 2.021 57.368 55.300 0.078 0.000 1.119 192 M CB -0.782 31.839 32.600 0.035 0.000 1.377 192 M HN 0.577 nan 8.290 nan 0.000 0.415 193 N N -0.391 118.362 118.700 0.088 0.000 2.142 193 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 193 N C 1.107 176.658 175.510 0.069 0.000 1.023 193 N CA 1.559 54.641 53.050 0.054 0.000 0.852 193 N CB 0.034 38.537 38.487 0.028 0.000 0.998 193 N HN 0.335 nan 8.380 nan 0.000 0.424 194 D N 0.246 120.720 120.400 0.123 0.000 2.117 194 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 194 D C 1.838 178.168 176.300 0.049 0.000 0.987 194 D CA 0.758 54.817 54.000 0.098 0.000 0.829 194 D CB -0.151 40.730 40.800 0.135 0.000 0.961 194 D HN 0.372 nan 8.370 nan 0.000 0.460 195 I N 0.703 121.292 120.570 0.032 0.000 2.226 195 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 195 I C 2.342 178.456 176.117 -0.005 0.000 1.100 195 I CA 0.930 62.227 61.300 -0.005 0.000 1.374 195 I CB -0.103 37.877 38.000 -0.033 0.000 1.057 195 I HN -0.062 nan 8.210 nan 0.000 0.413 196 Q N 0.352 120.153 119.800 0.001 0.000 2.167 196 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 196 Q C 1.653 177.665 176.000 0.020 0.000 0.970 196 Q CA 1.364 57.165 55.803 -0.004 0.000 0.855 196 Q CB -0.422 28.312 28.738 -0.007 0.000 0.911 196 Q HN 0.513 nan 8.270 nan 0.000 0.438 197 N N -0.566 118.155 118.700 0.036 0.000 2.373 197 N HA 0.059 4.799 4.740 -0.000 0.000 0.181 197 N C 0.364 175.915 175.510 0.069 0.000 1.082 197 N CA 0.024 53.101 53.050 0.045 0.000 0.885 197 N CB 0.200 38.710 38.487 0.038 0.000 0.977 197 N HN 0.199 nan 8.380 nan 0.000 0.462 198 M N 1.499 121.156 119.600 0.095 0.000 2.219 198 M HA 0.052 4.532 4.480 -0.000 0.000 0.353 198 M C 0.026 176.479 176.300 0.256 0.000 1.304 198 M CA 0.097 55.482 55.300 0.141 0.000 1.115 198 M CB 0.464 33.155 32.600 0.151 0.000 1.664 198 M HN 0.156 nan 8.290 nan 0.000 0.459 199 T N 1.908 116.496 114.554 0.058 0.000 2.936 199 T HA 0.658 5.008 4.350 -0.000 0.000 0.282 199 T C 0.850 175.067 174.700 -0.804 0.000 1.003 199 T CA -0.435 61.575 62.100 -0.150 0.000 1.005 199 T CB 1.554 70.355 68.868 -0.112 0.000 1.097 199 T HN 0.730 nan 8.240 nan 0.000 0.532 200 A N 0.305 122.456 122.820 -1.115 0.000 1.930 200 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 200 A C 2.325 179.584 177.584 -0.542 0.000 1.175 200 A CA 1.626 52.926 52.037 -1.228 0.000 0.627 200 A CB -1.202 17.379 19.000 -0.698 0.000 0.815 200 A HN 0.805 nan 8.150 nan 0.000 0.443 201 Q N 0.472 120.078 119.800 -0.324 0.000 2.181 201 Q HA -0.194 4.146 4.340 -0.000 0.000 0.205 201 Q C 1.263 177.192 176.000 -0.118 0.000 0.980 201 Q CA 2.044 57.748 55.803 -0.166 0.000 0.862 201 Q CB -0.440 28.236 28.738 -0.103 0.000 0.905 201 Q HN 0.637 nan 8.270 nan 0.000 0.429 202 D N -1.283 119.029 120.400 -0.148 0.000 2.144 202 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 202 D C 1.754 178.049 176.300 -0.008 0.000 0.984 202 D CA 1.303 55.271 54.000 -0.054 0.000 0.834 202 D CB 0.014 40.776 40.800 -0.064 0.000 0.955 202 D HN 0.186 nan 8.370 nan 0.000 0.465 203 V N 1.084 120.929 119.914 -0.116 0.000 2.488 203 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 203 V C 2.412 178.524 176.094 0.030 0.000 1.046 203 V CA 1.152 63.429 62.300 -0.039 0.000 1.053 203 V CB -0.347 31.409 31.823 -0.112 0.000 0.679 203 V HN 0.122 nan 8.190 nan 0.000 0.458 204 R N 0.366 120.846 120.500 -0.033 0.000 2.091 204 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 204 R C 2.031 178.402 176.300 0.118 0.000 1.136 204 R CA 1.880 57.997 56.100 0.028 0.000 0.959 204 R CB -0.549 29.736 30.300 -0.024 0.000 0.856 204 R HN 0.496 nan 8.270 nan 0.000 0.437 205 D N 0.093 120.553 120.400 0.099 0.000 2.077 205 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 205 D C 1.517 177.918 176.300 0.169 0.000 0.986 205 D CA 0.746 54.809 54.000 0.104 0.000 0.829 205 D CB -0.596 40.262 40.800 0.097 0.000 0.983 205 D HN 0.284 nan 8.370 nan 0.000 0.453 206 W N 0.731 122.071 121.300 0.065 0.000 2.290 206 W HA -0.372 4.288 4.660 -0.000 0.000 0.318 206 W C 2.241 178.855 176.519 0.159 0.000 1.248 206 W CA 1.508 58.959 57.345 0.177 0.000 1.263 206 W CB -0.593 28.965 29.460 0.164 0.000 1.147 206 W HN 0.084 nan 8.180 nan 0.000 0.494 207 Y N 1.215 121.566 120.300 0.084 0.000 2.109 207 Y HA -0.221 4.329 4.550 -0.000 0.000 0.285 207 Y C 2.733 178.595 175.900 -0.064 0.000 1.131 207 Y CA 2.761 60.780 58.100 -0.136 0.000 1.121 207 Y CB -1.091 37.252 38.460 -0.194 0.000 0.987 207 Y HN -0.204 nan 8.280 nan 0.000 0.495 208 K N -0.012 120.351 120.400 -0.061 0.000 2.281 208 K HA -0.249 4.071 4.320 -0.000 0.000 0.203 208 K C 2.295 178.756 176.600 -0.233 0.000 1.046 208 K CA 1.496 57.689 56.287 -0.156 0.000 0.938 208 K CB -0.096 32.379 32.500 -0.043 0.000 0.737 208 K HN 0.289 nan 8.250 nan 0.000 0.458 209 R N -1.352 118.978 120.500 -0.283 0.000 2.075 209 R HA -0.033 4.307 4.340 -0.000 0.000 0.220 209 R C 1.070 176.984 176.300 -0.643 0.000 1.118 209 R CA 1.358 57.133 56.100 -0.542 0.000 0.986 209 R CB 0.066 29.925 30.300 -0.734 0.000 0.884 209 R HN 0.200 nan 8.270 nan 0.000 0.439 210 W N -1.889 119.278 121.300 -0.222 0.000 2.998 210 W HA 0.279 4.939 4.660 0.000 0.000 0.336 210 W C -0.589 175.947 176.519 0.028 0.000 1.112 210 W CA -0.675 56.575 57.345 -0.158 0.000 1.682 210 W CB 0.658 29.910 29.460 -0.347 0.000 1.065 210 W HN -0.100 nan 8.180 nan 0.000 0.570 211 Y N 1.629 121.828 120.300 -0.168 0.000 2.504 211 Y HA 0.628 5.177 4.550 -0.000 0.000 0.339 211 Y C 0.614 176.435 175.900 -0.132 0.000 0.974 211 Y CA -1.153 56.811 58.100 -0.226 0.000 1.232 211 Y CB 0.739 38.814 38.460 -0.642 0.000 1.108 211 Y HN -0.088 nan 8.280 nan 0.000 0.509 212 G N 3.481 112.382 108.800 0.167 0.000 2.547 212 G HA2 0.249 4.209 3.960 -0.000 0.000 0.291 212 G HA3 0.249 4.209 3.960 -0.000 0.000 0.291 212 G C -2.497 172.454 174.900 0.084 0.000 1.471 212 G CA -1.185 43.973 45.100 0.097 0.000 0.798 212 G HN 0.102 nan 8.290 nan 0.000 0.504 213 P HA -0.169 nan 4.420 nan 0.000 0.216 213 P C 1.329 178.614 177.300 -0.026 0.000 1.157 213 P CA 1.628 64.727 63.100 -0.002 0.000 0.880 213 P CB -0.043 31.668 31.700 0.017 0.000 0.791 214 N N -0.818 117.881 118.700 -0.002 0.000 2.571 214 N HA -0.115 4.625 4.740 -0.000 0.000 0.189 214 N C 0.852 176.373 175.510 0.019 0.000 1.154 214 N CA 0.692 53.742 53.050 -0.001 0.000 0.907 214 N CB -0.924 37.563 38.487 -0.000 0.000 0.977 214 N HN 0.164 nan 8.380 nan 0.000 0.449 215 N N -0.285 118.437 118.700 0.038 0.000 2.241 215 N HA 0.292 5.032 4.740 -0.000 0.000 0.238 215 N C -1.238 174.287 175.510 0.025 0.000 1.244 215 N CA -0.308 52.792 53.050 0.083 0.000 0.880 215 N CB 0.931 39.532 38.487 0.189 0.000 1.179 215 N HN 0.332 nan 8.380 nan 0.000 0.513 216 A N -0.848 121.920 122.820 -0.087 0.000 2.454 216 A HA 0.798 5.118 4.320 -0.000 0.000 0.302 216 A C -0.927 176.533 177.584 -0.206 0.000 1.079 216 A CA -0.466 51.415 52.037 -0.261 0.000 0.731 216 A CB 1.315 19.986 19.000 -0.549 0.000 1.299 216 A HN 0.098 nan 8.150 nan 0.000 0.413 217 T N 1.024 115.463 114.554 -0.192 0.000 2.879 217 T HA 0.498 4.848 4.350 -0.000 0.000 0.290 217 T C -0.895 173.728 174.700 -0.128 0.000 0.993 217 T CA -0.356 61.657 62.100 -0.145 0.000 0.975 217 T CB 1.372 70.174 68.868 -0.110 0.000 0.981 217 T HN 0.514 nan 8.240 nan 0.000 0.439 218 V N 3.990 123.804 119.914 -0.167 0.000 2.364 218 V HA 0.375 4.495 4.120 -0.000 0.000 0.272 218 V C -0.006 176.091 176.094 0.005 0.000 1.036 218 V CA -0.574 61.650 62.300 -0.126 0.000 0.880 218 V CB 1.250 32.922 31.823 -0.252 0.000 0.991 218 V HN 0.710 nan 8.190 nan 0.000 0.460 219 V N 6.359 126.308 119.914 0.060 0.000 2.398 219 V HA 0.516 4.636 4.120 -0.000 0.000 0.286 219 V C -0.167 176.000 176.094 0.122 0.000 1.026 219 V CA -0.427 61.916 62.300 0.072 0.000 0.868 219 V CB 1.891 33.744 31.823 0.050 0.000 0.982 219 V HN 0.605 nan 8.190 nan 0.000 0.443 220 V N 5.421 125.412 119.914 0.128 0.000 2.588 220 V HA 0.649 4.769 4.120 -0.000 0.000 0.304 220 V C -0.573 175.562 176.094 0.069 0.000 1.042 220 V CA -0.681 61.713 62.300 0.157 0.000 0.877 220 V CB 2.047 33.986 31.823 0.195 0.000 0.996 220 V HN 0.608 nan 8.190 nan 0.000 0.425 221 V N 4.237 124.185 119.914 0.057 0.000 2.612 221 V HA 1.022 5.142 4.120 -0.000 0.000 0.301 221 V C 0.009 176.099 176.094 -0.006 0.000 1.059 221 V CA 0.957 63.256 62.300 -0.001 0.000 0.886 221 V CB 1.207 33.017 31.823 -0.021 0.000 1.007 221 V HN 1.393 nan 8.190 nan 0.000 0.426 222 G N 4.828 113.594 108.800 -0.056 0.000 2.441 222 G HA2 0.110 4.069 3.960 -0.000 0.000 0.222 222 G HA3 0.110 4.069 3.960 -0.000 0.000 0.222 222 G C -1.197 173.605 174.900 -0.164 0.000 1.254 222 G CA -0.054 45.002 45.100 -0.075 0.000 0.959 222 G HN 0.725 nan 8.290 nan 0.000 0.474 223 D N 1.356 121.690 120.400 -0.109 0.000 2.545 223 D HA 0.426 5.065 4.640 -0.000 0.000 0.227 223 D C 0.634 176.906 176.300 -0.046 0.000 1.150 223 D CA 0.626 54.564 54.000 -0.103 0.000 1.046 223 D CB -0.129 40.685 40.800 0.023 0.000 1.098 223 D HN 1.029 nan 8.370 nan 0.000 0.502 224 V N -0.362 119.488 119.914 -0.107 0.000 3.182 224 V HA 0.689 4.809 4.120 -0.000 0.000 0.308 224 V C -0.968 175.133 176.094 0.012 0.000 1.240 224 V CA -0.933 61.350 62.300 -0.029 0.000 1.063 224 V CB 2.553 34.349 31.823 -0.044 0.000 1.076 224 V HN 0.033 nan 8.190 nan 0.000 0.446 225 E N 0.907 121.071 120.200 -0.060 0.000 2.220 225 E HA 0.292 4.641 4.350 -0.000 0.000 0.256 225 E C 0.419 176.793 176.600 -0.376 0.000 0.881 225 E CA -0.071 56.227 56.400 -0.170 0.000 0.766 225 E CB 1.308 30.894 29.700 -0.190 0.000 1.187 225 E HN 1.095 nan 8.360 nan 0.000 0.419 226 H N 1.833 120.655 119.070 -0.412 0.000 2.337 226 H HA -0.227 4.329 4.556 -0.000 0.000 0.288 226 H C 1.163 175.944 175.328 -0.912 0.000 1.117 226 H CA 2.033 57.643 56.048 -0.730 0.000 1.205 226 H CB 0.176 29.382 29.762 -0.927 0.000 1.353 226 H HN 0.285 nan 8.280 nan 0.000 0.480 227 E N 0.849 120.434 120.200 -1.024 0.000 2.077 227 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 227 E C 2.636 179.097 176.600 -0.232 0.000 0.989 227 E CA 1.042 57.143 56.400 -0.498 0.000 0.800 227 E CB -0.593 28.857 29.700 -0.417 0.000 0.746 227 E HN 0.661 nan 8.360 nan 0.000 0.452 228 A N 0.972 123.644 122.820 -0.246 0.000 1.858 228 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 228 A C 2.616 180.165 177.584 -0.058 0.000 1.190 228 A CA 1.810 53.777 52.037 -0.117 0.000 0.617 228 A CB -0.859 18.073 19.000 -0.112 0.000 0.827 228 A HN 0.143 nan 8.150 nan 0.000 0.443 229 V N -0.663 119.186 119.914 -0.108 0.000 2.324 229 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 229 V C 2.382 178.580 176.094 0.172 0.000 1.060 229 V CA 2.215 64.512 62.300 -0.006 0.000 1.042 229 V CB -1.181 30.607 31.823 -0.058 0.000 0.650 229 V HN 0.510 nan 8.190 nan 0.000 0.450 230 F N 0.492 120.466 119.950 0.041 0.000 2.134 230 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 230 F C 2.573 178.402 175.800 0.048 0.000 1.097 230 F CA 1.774 59.808 58.000 0.056 0.000 1.264 230 F CB -0.989 38.044 39.000 0.054 0.000 1.001 230 F HN 0.078 nan 8.300 nan 0.000 0.479 231 R N 0.322 120.953 120.500 0.218 0.000 2.073 231 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 231 R C 2.118 178.480 176.300 0.103 0.000 1.134 231 R CA 1.072 57.246 56.100 0.124 0.000 0.952 231 R CB -0.906 29.434 30.300 0.067 0.000 0.850 231 R HN 0.126 nan 8.270 nan 0.000 0.433 232 L N 0.284 121.561 121.223 0.091 0.000 2.043 232 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 232 L C 2.335 179.272 176.870 0.111 0.000 1.075 232 L CA 2.203 57.084 54.840 0.069 0.000 0.752 232 L CB -0.937 41.150 42.059 0.046 0.000 0.891 232 L HN 0.334 nan 8.230 nan 0.000 0.432 233 A N -1.187 121.752 122.820 0.198 0.000 1.902 233 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 233 A C 2.263 179.979 177.584 0.220 0.000 1.181 233 A CA 1.667 53.886 52.037 0.303 0.000 0.623 233 A CB -0.463 18.721 19.000 0.306 0.000 0.818 233 A HN 0.503 nan 8.150 nan 0.000 0.443 234 E N -0.875 119.411 120.200 0.143 0.000 2.274 234 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 234 E C 1.666 178.309 176.600 0.071 0.000 0.996 234 E CA 0.859 57.316 56.400 0.096 0.000 0.840 234 E CB -0.023 29.720 29.700 0.071 0.000 0.772 234 E HN 0.709 nan 8.360 nan 0.000 0.491 235 Q N -0.701 119.135 119.800 0.060 0.000 2.360 235 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 235 Q C 1.120 177.123 176.000 0.005 0.000 0.915 235 Q CA 0.756 56.576 55.803 0.028 0.000 0.943 235 Q CB 0.748 29.497 28.738 0.017 0.000 1.064 235 Q HN 0.270 nan 8.270 nan 0.000 0.511 236 T N -4.551 110.007 114.554 0.007 0.000 3.422 236 T HA 0.040 4.390 4.350 -0.000 0.000 0.179 236 T C 1.162 175.846 174.700 -0.027 0.000 0.946 236 T CA -0.181 61.877 62.100 -0.070 0.000 1.025 236 T CB -0.686 68.055 68.868 -0.212 0.000 1.298 236 T HN 0.007 nan 8.240 nan 0.000 0.312 237 Y N 2.401 122.731 120.300 0.051 0.000 2.181 237 Y HA 0.173 4.723 4.550 -0.000 0.000 0.288 237 Y C 2.971 178.891 175.900 0.034 0.000 1.146 237 Y CA 1.467 59.597 58.100 0.051 0.000 1.164 237 Y CB -0.988 37.506 38.460 0.057 0.000 0.982 237 Y HN 0.522 nan 8.280 nan 0.000 0.515 238 G N -0.552 108.371 108.800 0.205 0.000 2.470 238 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 238 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 238 G C 1.563 176.507 174.900 0.074 0.000 1.121 238 G CA 0.566 45.734 45.100 0.113 0.000 0.766 238 G HN 0.307 nan 8.290 nan 0.000 0.553 239 K N -0.919 119.521 120.400 0.067 0.000 2.487 239 K HA 0.200 4.520 4.320 -0.000 0.000 0.192 239 K C 0.026 176.653 176.600 0.045 0.000 1.027 239 K CA -0.437 55.876 56.287 0.044 0.000 1.054 239 K CB -0.004 32.514 32.500 0.029 0.000 0.824 239 K HN 0.137 nan 8.250 nan 0.000 0.510 240 L N 0.569 121.832 121.223 0.066 0.000 2.375 240 L HA 0.238 4.578 4.340 -0.000 0.000 0.271 240 L C 0.090 176.986 176.870 0.044 0.000 1.107 240 L CA -0.095 54.783 54.840 0.063 0.000 0.806 240 L CB 1.079 43.197 42.059 0.098 0.000 1.146 240 L HN -0.012 nan 8.230 nan 0.000 0.447 241 A N 3.663 126.500 122.820 0.029 0.000 2.322 241 A HA 0.504 4.824 4.320 -0.000 0.000 0.269 241 A C 0.416 178.003 177.584 0.006 0.000 1.094 241 A CA -0.462 51.583 52.037 0.013 0.000 0.807 241 A CB 0.209 19.212 19.000 0.004 0.000 1.047 241 A HN 0.724 nan 8.150 nan 0.000 0.487 242 R N -0.286 120.211 120.500 -0.004 0.000 2.827 242 R HA 0.366 4.706 4.340 -0.000 0.000 0.269 242 R C -0.949 175.332 176.300 -0.032 0.000 1.048 242 R CA 0.306 56.397 56.100 -0.014 0.000 1.173 242 R CB 0.365 30.654 30.300 -0.019 0.000 1.070 242 R HN 0.444 nan 8.270 nan 0.000 0.498 243 V N 2.437 122.324 119.914 -0.044 0.000 2.638 243 V HA 0.100 4.220 4.120 -0.000 0.000 0.306 243 V C -0.964 175.063 176.094 -0.112 0.000 1.052 243 V CA -0.784 61.467 62.300 -0.082 0.000 0.885 243 V CB 1.835 33.608 31.823 -0.084 0.000 0.999 243 V HN 0.868 nan 8.190 nan 0.000 0.424 244 E N 4.330 124.442 120.200 -0.147 0.000 2.161 244 E HA 0.394 4.744 4.350 -0.000 0.000 0.263 244 E C 0.007 176.423 176.600 -0.307 0.000 1.185 244 E CA 0.104 56.395 56.400 -0.181 0.000 0.938 244 E CB 0.751 30.350 29.700 -0.169 0.000 1.023 244 E HN 0.683 nan 8.360 nan 0.000 0.433 245 A N 5.753 128.417 122.820 -0.260 0.000 2.938 245 A HA 0.333 4.653 4.320 -0.000 0.000 0.344 245 A C -2.187 175.259 177.584 -0.231 0.000 1.142 245 A CA -1.548 50.260 52.037 -0.382 0.000 0.841 245 A CB 0.052 19.027 19.000 -0.040 0.000 1.083 245 A HN 0.638 nan 8.150 nan 0.000 0.479 246 P HA 0.118 nan 4.420 nan 0.000 0.266 246 P C 0.374 177.728 177.300 0.089 0.000 1.186 246 P CA 0.329 63.368 63.100 -0.102 0.000 0.767 246 P CB 0.579 32.201 31.700 -0.129 0.000 0.820 247 A N 3.774 126.632 122.820 0.063 0.000 2.546 247 A HA 0.077 4.396 4.320 -0.000 0.000 0.243 247 A C 0.611 178.260 177.584 0.109 0.000 1.063 247 A CA 0.224 52.311 52.037 0.082 0.000 0.757 247 A CB -0.402 18.624 19.000 0.043 0.000 0.991 247 A HN 0.517 nan 8.150 nan 0.000 0.503 248 R N 1.223 121.788 120.500 0.110 0.000 2.598 248 R HA 0.390 4.730 4.340 -0.000 0.000 0.279 248 R C -0.430 175.900 176.300 0.049 0.000 0.984 248 R CA -0.612 55.545 56.100 0.095 0.000 0.999 248 R CB 1.418 31.763 30.300 0.075 0.000 1.114 248 R HN 0.726 nan 8.270 nan 0.000 0.493 249 K N 2.394 122.815 120.400 0.035 0.000 2.172 249 K HA 0.086 4.406 4.320 -0.000 0.000 0.276 249 K C -0.588 176.010 176.600 -0.003 0.000 1.013 249 K CA -0.597 55.700 56.287 0.016 0.000 0.913 249 K CB 1.476 33.985 32.500 0.015 0.000 1.055 249 K HN 0.481 nan 8.250 nan 0.000 0.461 250 Q N 2.377 122.178 119.800 0.000 0.000 2.465 250 Q HA 0.019 4.358 4.340 -0.000 0.000 0.237 250 Q C -0.419 175.576 176.000 -0.008 0.000 1.288 250 Q CA 0.264 56.065 55.803 -0.004 0.000 0.888 250 Q CB -0.127 28.614 28.738 0.005 0.000 1.570 250 Q HN 0.288 nan 8.270 nan 0.000 0.532 251 Q N 1.065 120.841 119.800 -0.041 0.000 2.492 251 Q HA 0.447 4.787 4.340 -0.000 0.000 0.238 251 Q C 0.183 176.211 176.000 0.047 0.000 1.045 251 Q CA 0.351 56.123 55.803 -0.053 0.000 0.934 251 Q CB 0.698 29.316 28.738 -0.200 0.000 1.276 251 Q HN 0.777 nan 8.270 nan 0.000 0.521 252 G N 0.047 108.894 108.800 0.078 0.000 3.166 252 G HA2 0.499 4.459 3.960 -0.000 0.000 0.267 252 G HA3 0.499 4.459 3.960 -0.000 0.000 0.267 252 G C -1.519 173.455 174.900 0.124 0.000 1.256 252 G CA -0.374 44.790 45.100 0.106 0.000 0.859 252 G HN 0.493 nan 8.290 nan 0.000 0.590 253 E N -0.056 120.192 120.200 0.079 0.000 2.406 253 E HA 0.500 4.850 4.350 -0.000 0.000 0.297 253 E C -2.781 173.880 176.600 0.101 0.000 0.917 253 E CA -1.056 55.412 56.400 0.112 0.000 0.795 253 E CB 1.561 31.336 29.700 0.125 0.000 1.285 253 E HN 0.309 nan 8.360 nan 0.000 0.400 254 P HA 0.073 nan 4.420 nan 0.000 0.265 254 P C -0.990 176.380 177.300 0.117 0.000 1.187 254 P CA -0.229 62.929 63.100 0.098 0.000 0.766 254 P CB 0.495 32.250 31.700 0.093 0.000 0.820 255 Q N 2.409 122.268 119.800 0.097 0.000 2.256 255 Q HA -0.081 4.259 4.340 -0.000 0.000 0.281 255 Q C -0.013 176.057 176.000 0.117 0.000 1.162 255 Q CA 0.568 56.437 55.803 0.110 0.000 0.943 255 Q CB -0.193 28.592 28.738 0.079 0.000 1.195 255 Q HN 0.329 nan 8.270 nan 0.000 0.403 256 Q N 2.985 122.886 119.800 0.169 0.000 2.286 256 Q HA 0.236 4.576 4.340 -0.000 0.000 0.290 256 Q C -0.891 175.145 176.000 0.060 0.000 1.049 256 Q CA 0.667 56.535 55.803 0.109 0.000 0.923 256 Q CB 0.355 29.131 28.738 0.064 0.000 1.183 256 Q HN 0.742 nan 8.270 nan 0.000 0.383 257 A N 3.884 126.725 122.820 0.035 0.000 3.176 257 A HA 0.623 4.943 4.320 -0.000 0.000 0.265 257 A C -0.281 177.310 177.584 0.011 0.000 0.936 257 A CA 0.219 52.272 52.037 0.027 0.000 1.033 257 A CB 0.283 19.302 19.000 0.031 0.000 1.158 257 A HN 0.893 nan 8.150 nan 0.000 0.485 258 G N -0.707 108.090 108.800 -0.004 0.000 2.277 258 G HA2 0.441 4.401 3.960 -0.000 0.000 0.272 258 G HA3 0.441 4.401 3.960 -0.000 0.000 0.272 258 G C -0.673 174.201 174.900 -0.042 0.000 1.692 258 G CA -0.079 45.011 45.100 -0.015 0.000 0.926 258 G HN 1.338 nan 8.290 nan 0.000 0.720 259 V N 2.000 121.885 119.914 -0.048 0.000 2.814 259 V HA 0.446 4.566 4.120 -0.000 0.000 0.307 259 V C 0.706 176.749 176.094 -0.085 0.000 1.089 259 V CA 0.494 62.745 62.300 -0.082 0.000 1.212 259 V CB 0.318 32.099 31.823 -0.070 0.000 0.912 259 V HN 0.776 nan 8.190 nan 0.000 0.497 260 R N 5.743 126.172 120.500 -0.119 0.000 2.711 260 R HA 0.734 5.074 4.340 -0.000 0.000 0.284 260 R C -0.907 175.329 176.300 -0.106 0.000 0.968 260 R CA -0.805 55.235 56.100 -0.100 0.000 0.924 260 R CB 2.003 32.238 30.300 -0.109 0.000 1.162 260 R HN 0.707 nan 8.270 nan 0.000 0.465 261 R N 1.194 121.648 120.500 -0.075 0.000 2.564 261 R HA 0.461 4.801 4.340 -0.000 0.000 0.284 261 R C -1.698 174.572 176.300 -0.049 0.000 1.031 261 R CA -0.829 55.229 56.100 -0.070 0.000 0.904 261 R CB 2.610 32.874 30.300 -0.060 0.000 1.199 261 R HN 0.326 nan 8.270 nan 0.000 0.443 262 V N 1.977 121.863 119.914 -0.046 0.000 2.686 262 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 262 V C -1.037 175.045 176.094 -0.020 0.000 1.065 262 V CA -0.186 62.097 62.300 -0.027 0.000 0.894 262 V CB 2.443 34.255 31.823 -0.018 0.000 1.004 262 V HN 0.763 nan 8.190 nan 0.000 0.424 263 T N 6.225 120.771 114.554 -0.012 0.000 2.797 263 T HA 0.647 4.997 4.350 -0.000 0.000 0.279 263 T C -0.565 174.137 174.700 0.004 0.000 0.991 263 T CA -0.266 61.832 62.100 -0.004 0.000 0.979 263 T CB 1.349 70.214 68.868 -0.005 0.000 0.943 263 T HN 1.134 nan 8.240 nan 0.000 0.444 264 V N 1.461 121.383 119.914 0.013 0.000 2.540 264 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 264 V C -0.634 175.473 176.094 0.022 0.000 1.035 264 V CA -1.099 61.212 62.300 0.018 0.000 0.873 264 V CB 1.494 33.333 31.823 0.026 0.000 0.992 264 V HN 0.703 nan 8.190 nan 0.000 0.428 265 K N 3.393 123.804 120.400 0.017 0.000 2.185 265 K HA 0.897 5.217 4.320 -0.000 0.000 0.269 265 K C -0.320 176.294 176.600 0.022 0.000 0.987 265 K CA -0.200 56.098 56.287 0.019 0.000 0.865 265 K CB 2.007 34.515 32.500 0.013 0.000 1.090 265 K HN 1.176 nan 8.250 nan 0.000 0.450 266 A N 3.497 126.334 122.820 0.029 0.000 2.610 266 A HA 0.548 4.868 4.320 -0.000 0.000 0.291 266 A C -2.875 174.732 177.584 0.037 0.000 1.086 266 A CA -1.510 50.546 52.037 0.032 0.000 0.677 266 A CB 1.190 20.211 19.000 0.035 0.000 1.278 266 A HN 0.434 nan 8.150 nan 0.000 0.414 267 P HA 0.432 nan 4.420 nan 0.000 0.265 267 P C -0.194 177.135 177.300 0.048 0.000 1.193 267 P CA 0.840 63.968 63.100 0.047 0.000 0.765 267 P CB 1.033 32.769 31.700 0.060 0.000 0.823 268 A N 2.628 125.474 122.820 0.043 0.000 2.489 268 A HA 0.253 4.573 4.320 -0.000 0.000 0.293 268 A C 0.720 178.328 177.584 0.039 0.000 1.004 268 A CA -0.491 51.573 52.037 0.045 0.000 0.626 268 A CB 0.022 19.056 19.000 0.056 0.000 1.345 268 A HN 0.462 nan 8.150 nan 0.000 0.447 269 E N -0.182 120.041 120.200 0.039 0.000 2.075 269 E HA 0.351 4.701 4.350 -0.000 0.000 0.190 269 E C 0.231 176.852 176.600 0.035 0.000 0.969 269 E CA 0.504 56.923 56.400 0.031 0.000 0.815 269 E CB 0.014 29.730 29.700 0.026 0.000 0.776 269 E HN 0.485 nan 8.360 nan 0.000 0.457 270 L N 1.276 122.529 121.223 0.050 0.000 2.333 270 L HA 0.490 4.830 4.340 -0.000 0.000 0.263 270 L C -2.436 174.481 176.870 0.078 0.000 1.014 270 L CA -2.817 52.054 54.840 0.051 0.000 0.820 270 L CB 2.076 44.164 42.059 0.048 0.000 1.352 270 L HN -0.068 nan 8.230 nan 0.000 0.421 271 P HA 0.157 nan 4.420 nan 0.000 0.274 271 P C -1.709 175.669 177.300 0.130 0.000 1.246 271 P CA -0.122 63.026 63.100 0.081 0.000 0.795 271 P CB 0.901 32.620 31.700 0.032 0.000 1.006 272 Y N 0.068 120.377 120.300 0.014 0.000 2.576 272 Y HA 0.608 5.158 4.550 -0.001 0.000 0.346 272 Y C -1.028 174.873 175.900 0.001 0.000 1.018 272 Y CA -1.022 57.089 58.100 0.018 0.000 1.050 272 Y CB 2.031 40.511 38.460 0.034 0.000 1.280 272 Y HN 0.228 nan 8.280 nan 0.000 0.474 273 L N 3.284 124.394 121.223 -0.188 0.000 2.505 273 L HA 0.852 5.191 4.340 -0.000 0.000 0.266 273 L C -1.747 175.089 176.870 -0.056 0.000 0.954 273 L CA -0.409 54.383 54.840 -0.079 0.000 0.852 273 L CB 1.881 43.862 42.059 -0.130 0.000 1.282 273 L HN 0.643 nan 8.230 nan 0.000 0.403 274 A N 5.181 127.994 122.820 -0.011 0.000 2.522 274 A HA 0.703 5.023 4.320 -0.000 0.000 0.285 274 A C -1.541 175.939 177.584 -0.172 0.000 1.198 274 A CA -0.374 51.614 52.037 -0.081 0.000 0.742 274 A CB 0.469 19.371 19.000 -0.164 0.000 1.176 274 A HN 0.501 nan 8.150 nan 0.000 0.444 275 L N 1.364 122.477 121.223 -0.183 0.000 2.418 275 L HA 0.764 5.104 4.340 -0.000 0.000 0.265 275 L C 0.616 177.290 176.870 -0.327 0.000 1.143 275 L CA 0.412 55.057 54.840 -0.326 0.000 0.809 275 L CB 1.370 43.188 42.059 -0.401 0.000 1.124 275 L HN 0.860 nan 8.230 nan 0.000 0.456 276 A N 2.348 124.890 122.820 -0.464 0.000 2.465 276 A HA 0.560 4.880 4.320 -0.000 0.000 0.292 276 A C -1.615 175.765 177.584 -0.340 0.000 1.041 276 A CA -0.678 51.211 52.037 -0.247 0.000 0.718 276 A CB 0.779 19.705 19.000 -0.124 0.000 1.266 276 A HN 0.544 nan 8.150 nan 0.000 0.403 277 W N 1.789 123.116 121.300 0.044 0.000 2.438 277 W HA 0.336 4.996 4.660 -0.000 0.000 0.324 277 W C 0.097 176.677 176.519 0.100 0.000 1.119 277 W CA -0.216 57.128 57.345 -0.001 0.000 1.221 277 W CB 0.893 30.366 29.460 0.020 0.000 1.253 277 W HN 0.754 nan 8.180 nan 0.000 0.555 278 H N 0.920 120.114 119.070 0.206 0.000 2.683 278 H HA 0.301 4.857 4.556 -0.000 0.000 0.339 278 H C 0.291 175.732 175.328 0.189 0.000 1.081 278 H CA -0.267 55.885 56.048 0.172 0.000 1.432 278 H CB 1.276 31.099 29.762 0.102 0.000 1.462 278 H HN 0.182 nan 8.280 nan 0.000 0.557 279 V N 0.592 120.698 119.914 0.321 0.000 3.216 279 V HA 0.427 4.547 4.120 -0.000 0.000 0.302 279 V C -2.841 173.368 176.094 0.191 0.000 1.286 279 V CA -2.648 59.769 62.300 0.196 0.000 1.048 279 V CB 1.605 33.500 31.823 0.121 0.000 1.081 279 V HN 0.524 nan 8.190 nan 0.000 0.442 280 P HA 0.509 nan 4.420 nan 0.000 0.270 280 P C -0.572 176.841 177.300 0.189 0.000 1.227 280 P CA 0.479 63.651 63.100 0.119 0.000 0.788 280 P CB 0.427 32.171 31.700 0.073 0.000 0.926 281 A N 1.383 124.278 122.820 0.124 0.000 2.469 281 A HA 0.581 4.901 4.320 -0.000 0.000 0.299 281 A C -0.473 177.116 177.584 0.009 0.000 1.098 281 A CA -0.888 51.210 52.037 0.101 0.000 0.737 281 A CB 0.627 19.662 19.000 0.060 0.000 1.312 281 A HN 0.453 nan 8.150 nan 0.000 0.414 282 I N 2.329 122.857 120.570 -0.070 0.000 2.680 282 I HA 0.034 4.204 4.170 -0.000 0.000 0.286 282 I C 0.716 176.797 176.117 -0.060 0.000 1.144 282 I CA 0.253 61.470 61.300 -0.139 0.000 1.370 282 I CB -0.126 37.739 38.000 -0.225 0.000 1.420 282 I HN 0.437 nan 8.210 nan 0.000 0.540 283 V N 4.102 124.000 119.914 -0.026 0.000 2.988 283 V HA 0.038 4.158 4.120 -0.000 0.000 0.223 283 V C 0.847 176.948 176.094 0.011 0.000 1.144 283 V CA 0.206 62.503 62.300 -0.005 0.000 1.242 283 V CB -0.148 31.678 31.823 0.005 0.000 1.073 283 V HN 0.656 nan 8.190 nan 0.000 0.508 284 D N 1.004 121.420 120.400 0.027 0.000 2.346 284 D HA 0.065 4.705 4.640 -0.000 0.000 0.267 284 D C 1.068 177.416 176.300 0.081 0.000 1.320 284 D CA 0.297 54.323 54.000 0.043 0.000 0.951 284 D CB 1.057 41.883 40.800 0.044 0.000 1.079 284 D HN 0.191 nan 8.370 nan 0.000 0.509 285 L N 3.156 124.430 121.223 0.085 0.000 2.189 285 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 285 L C 1.458 178.463 176.870 0.224 0.000 1.097 285 L CA 1.117 56.051 54.840 0.156 0.000 0.764 285 L CB 0.118 42.245 42.059 0.113 0.000 0.900 285 L HN 0.338 nan 8.230 nan 0.000 0.436 286 D N -1.532 118.953 120.400 0.143 0.000 2.355 286 D HA 0.006 4.646 4.640 -0.000 0.000 0.206 286 D C 1.492 177.871 176.300 0.132 0.000 1.010 286 D CA 0.444 54.516 54.000 0.120 0.000 0.875 286 D CB 0.421 41.256 40.800 0.059 0.000 0.966 286 D HN 0.192 nan 8.370 nan 0.000 0.512 287 K N -0.032 120.448 120.400 0.132 0.000 3.554 287 K HA 0.201 4.521 4.320 -0.000 0.000 0.183 287 K C 0.577 177.297 176.600 0.199 0.000 1.147 287 K CA 0.136 56.499 56.287 0.127 0.000 1.595 287 K CB 0.076 32.623 32.500 0.079 0.000 2.206 287 K HN -0.287 nan 8.250 nan 0.000 0.543 288 S N 0.667 116.443 115.700 0.127 0.000 3.641 288 S HA -0.165 4.305 4.470 -0.000 0.000 0.346 288 S C 0.766 175.457 174.600 0.152 0.000 1.074 288 S CA 0.658 58.909 58.200 0.085 0.000 1.026 288 S CB -1.230 61.954 63.200 -0.027 0.000 0.908 288 S HN 0.331 nan 8.310 nan 0.000 0.479 289 R N 1.002 121.606 120.500 0.173 0.000 2.127 289 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 289 R C 1.466 177.842 176.300 0.126 0.000 1.134 289 R CA 1.683 57.891 56.100 0.181 0.000 0.975 289 R CB -0.585 29.776 30.300 0.102 0.000 0.865 289 R HN 0.507 nan 8.270 nan 0.000 0.447 290 D N 0.627 121.070 120.400 0.071 0.000 2.144 290 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 290 D C 1.793 178.115 176.300 0.038 0.000 0.984 290 D CA 1.503 55.523 54.000 0.032 0.000 0.834 290 D CB -0.096 40.713 40.800 0.015 0.000 0.955 290 D HN 0.240 nan 8.370 nan 0.000 0.465 291 A N -0.250 122.605 122.820 0.059 0.000 1.872 291 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 291 A C 1.859 179.540 177.584 0.162 0.000 1.187 291 A CA 0.828 52.932 52.037 0.112 0.000 0.614 291 A CB -0.996 18.012 19.000 0.014 0.000 0.826 291 A HN 0.200 nan 8.150 nan 0.000 0.442 292 Y N 0.177 120.585 120.300 0.179 0.000 2.333 292 Y HA -0.088 4.462 4.550 -0.000 0.000 0.290 292 Y C 2.802 178.755 175.900 0.088 0.000 1.144 292 Y CA 0.691 58.871 58.100 0.135 0.000 1.228 292 Y CB -0.510 37.983 38.460 0.055 0.000 0.985 292 Y HN 0.336 nan 8.280 nan 0.000 0.542 293 A N -0.459 122.474 122.820 0.188 0.000 1.968 293 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 293 A C 2.157 179.763 177.584 0.037 0.000 1.169 293 A CA 0.990 53.074 52.037 0.078 0.000 0.638 293 A CB -0.891 18.120 19.000 0.019 0.000 0.812 293 A HN 0.459 nan 8.150 nan 0.000 0.446 294 L N -0.848 120.373 121.223 -0.003 0.000 2.201 294 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 294 L C 2.535 179.506 176.870 0.168 0.000 1.105 294 L CA 1.340 56.097 54.840 -0.137 0.000 0.775 294 L CB -0.311 41.407 42.059 -0.567 0.000 0.913 294 L HN 0.509 nan 8.230 nan 0.000 0.440 295 E N 0.349 120.770 120.200 0.368 0.000 2.072 295 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 295 E C 2.219 178.966 176.600 0.245 0.000 0.982 295 E CA 0.962 57.633 56.400 0.452 0.000 0.803 295 E CB 0.130 30.075 29.700 0.408 0.000 0.755 295 E HN 0.291 nan 8.360 nan 0.000 0.453 296 I N 1.393 122.058 120.570 0.158 0.000 2.179 296 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 296 I C 2.336 178.518 176.117 0.109 0.000 1.088 296 I CA 0.954 62.307 61.300 0.089 0.000 1.357 296 I CB -0.439 37.585 38.000 0.040 0.000 1.051 296 I HN 0.229 nan 8.210 nan 0.000 0.409 297 L N 0.109 121.402 121.223 0.116 0.000 2.013 297 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 297 L C 2.576 179.600 176.870 0.258 0.000 1.073 297 L CA 2.002 56.920 54.840 0.130 0.000 0.753 297 L CB -0.550 41.524 42.059 0.026 0.000 0.890 297 L HN 0.319 nan 8.230 nan 0.000 0.432 298 A N -0.530 122.498 122.820 0.348 0.000 1.940 298 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 298 A C 2.357 180.032 177.584 0.153 0.000 1.176 298 A CA 1.900 54.073 52.037 0.226 0.000 0.631 298 A CB -0.624 18.476 19.000 0.167 0.000 0.814 298 A HN 0.580 nan 8.150 nan 0.000 0.446 299 A N -0.926 121.981 122.820 0.145 0.000 1.935 299 A HA 0.158 4.478 4.320 -0.000 0.000 0.214 299 A C 2.159 179.827 177.584 0.141 0.000 1.178 299 A CA 1.323 53.434 52.037 0.123 0.000 0.640 299 A CB -0.696 18.354 19.000 0.083 0.000 0.825 299 A HN 0.348 nan 8.150 nan 0.000 0.447 300 V N 0.360 120.348 119.914 0.123 0.000 2.407 300 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 300 V C 2.527 178.691 176.094 0.117 0.000 1.055 300 V CA 1.878 64.250 62.300 0.119 0.000 1.049 300 V CB -0.759 31.112 31.823 0.080 0.000 0.662 300 V HN 0.542 nan 8.190 nan 0.000 0.455 301 L N -0.381 120.912 121.223 0.116 0.000 2.044 301 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 301 L C 1.502 178.416 176.870 0.073 0.000 1.075 301 L CA 1.817 56.715 54.840 0.097 0.000 0.747 301 L CB -0.126 42.013 42.059 0.134 0.000 0.903 301 L HN 0.364 nan 8.230 nan 0.000 0.435 302 D N -1.510 118.945 120.400 0.091 0.000 2.822 302 D HA 0.131 4.771 4.640 -0.000 0.000 0.327 302 D C 1.194 177.561 176.300 0.111 0.000 1.577 302 D CA 0.194 54.236 54.000 0.071 0.000 0.785 302 D CB 0.500 41.334 40.800 0.056 0.000 1.199 302 D HN 0.061 nan 8.370 nan 0.000 0.443 303 G N 0.126 109.035 108.800 0.182 0.000 2.650 303 G HA2 0.175 4.135 3.960 -0.000 0.000 0.214 303 G HA3 0.175 4.135 3.960 -0.000 0.000 0.214 303 G C 0.186 175.279 174.900 0.321 0.000 1.136 303 G CA 0.877 46.109 45.100 0.219 0.000 0.789 303 G HN 0.358 nan 8.290 nan 0.000 0.536 304 Y N -2.258 118.067 120.300 0.041 0.000 2.741 304 Y HA 0.372 4.922 4.550 -0.001 0.000 0.339 304 Y C -0.639 175.282 175.900 0.035 0.000 1.226 304 Y CA -1.974 56.149 58.100 0.039 0.000 1.072 304 Y CB 0.311 38.795 38.460 0.039 0.000 1.331 304 Y HN -0.001 nan 8.280 nan 0.000 0.453 305 D N -0.160 120.160 120.400 -0.134 0.000 2.344 305 D HA 0.194 4.834 4.640 -0.000 0.000 0.242 305 D C 0.963 177.020 176.300 -0.406 0.000 1.159 305 D CA 0.669 54.543 54.000 -0.211 0.000 0.859 305 D CB -0.358 40.409 40.800 -0.056 0.000 0.925 305 D HN 0.940 nan 8.370 nan 0.000 0.510 306 G N -0.959 107.185 108.800 -1.094 0.000 3.228 306 G HA2 0.433 4.393 3.960 -0.000 0.000 0.245 306 G HA3 0.433 4.393 3.960 -0.000 0.000 0.245 306 G C 0.529 174.880 174.900 -0.915 0.000 1.051 306 G CA 0.170 44.694 45.100 -0.960 0.000 0.809 306 G HN 0.478 nan 8.290 nan 0.000 0.531 307 A N 0.500 122.733 122.820 -0.977 0.000 2.304 307 A HA 0.562 4.882 4.320 -0.000 0.000 0.271 307 A C 1.693 179.189 177.584 -0.147 0.000 1.091 307 A CA -0.496 51.352 52.037 -0.316 0.000 0.812 307 A CB 0.657 19.601 19.000 -0.093 0.000 1.056 307 A HN 0.133 nan 8.150 nan 0.000 0.489 308 R N 0.632 121.108 120.500 -0.040 0.000 2.134 308 R HA -0.224 4.116 4.340 -0.000 0.000 0.248 308 R C 1.932 178.214 176.300 -0.029 0.000 1.143 308 R CA 1.947 58.033 56.100 -0.023 0.000 0.957 308 R CB -0.845 29.460 30.300 0.008 0.000 0.867 308 R HN 0.806 nan 8.270 nan 0.000 0.441 309 M N 0.079 119.669 119.600 -0.017 0.000 2.084 309 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 309 M C 2.514 178.797 176.300 -0.028 0.000 1.072 309 M CA 2.435 57.730 55.300 -0.008 0.000 1.107 309 M CB -1.327 31.279 32.600 0.010 0.000 1.299 309 M HN 0.301 nan 8.290 nan 0.000 0.413 310 T N -1.150 113.373 114.554 -0.053 0.000 2.985 310 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 310 T C 1.808 176.468 174.700 -0.067 0.000 1.076 310 T CA 1.050 63.117 62.100 -0.056 0.000 1.135 310 T CB -0.050 68.778 68.868 -0.066 0.000 0.890 310 T HN 0.241 nan 8.240 nan 0.000 0.480 311 R N 0.414 120.858 120.500 -0.093 0.000 2.115 311 R HA 0.125 4.465 4.340 -0.000 0.000 0.230 311 R C 2.222 178.494 176.300 -0.048 0.000 1.111 311 R CA 1.682 57.733 56.100 -0.081 0.000 0.976 311 R CB -0.239 30.002 30.300 -0.099 0.000 0.870 311 R HN 0.490 nan 8.270 nan 0.000 0.445 312 Q N -1.666 118.109 119.800 -0.041 0.000 2.245 312 Q HA 0.297 4.637 4.340 -0.000 0.000 0.236 312 Q C 1.207 177.187 176.000 -0.034 0.000 0.842 312 Q CA 0.042 55.824 55.803 -0.036 0.000 0.945 312 Q CB 0.828 29.544 28.738 -0.037 0.000 1.122 312 Q HN 0.272 nan 8.270 nan 0.000 0.506 313 L N -1.666 119.544 121.223 -0.021 0.000 2.515 313 L HA 0.127 4.467 4.340 -0.000 0.000 0.202 313 L C 1.837 178.719 176.870 0.020 0.000 1.056 313 L CA 0.191 55.030 54.840 -0.002 0.000 0.847 313 L CB -0.064 41.997 42.059 0.003 0.000 1.131 313 L HN -0.039 nan 8.230 nan 0.000 0.484 314 V N 0.452 120.369 119.914 0.006 0.000 2.229 314 V HA -0.146 3.973 4.120 -0.000 0.000 0.243 314 V C 2.127 178.226 176.094 0.009 0.000 1.042 314 V CA 1.539 63.844 62.300 0.009 0.000 1.000 314 V CB -0.522 31.301 31.823 -0.001 0.000 0.637 314 V HN 0.316 nan 8.190 nan 0.000 0.446 315 R N -0.577 119.920 120.500 -0.004 0.000 0.907 315 R HA 0.347 4.687 4.340 -0.000 0.000 0.051 315 R C 1.631 177.931 176.300 -0.000 0.000 0.449 315 R CA 0.536 56.634 56.100 -0.003 0.000 2.146 315 R CB -1.089 29.202 30.300 -0.015 0.000 0.497 315 R HN 0.487 nan 8.270 nan 0.000 0.796 316 G N 1.370 110.164 108.800 -0.009 0.000 2.685 316 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.329 316 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.329 316 G C 0.414 175.312 174.900 -0.004 0.000 1.271 316 G CA 1.106 46.197 45.100 -0.015 0.000 1.003 316 G HN 0.751 nan 8.290 nan 0.000 0.549 317 N N 1.368 120.056 118.700 -0.020 0.000 2.449 317 N HA 0.127 4.867 4.740 -0.000 0.000 0.191 317 N C 0.789 176.387 175.510 0.146 0.000 1.161 317 N CA 1.147 54.198 53.050 0.002 0.000 0.863 317 N CB -0.075 38.318 38.487 -0.156 0.000 0.980 317 N HN 0.941 nan 8.380 nan 0.000 0.458 318 K N -0.742 119.719 120.400 0.102 0.000 3.035 318 K HA -0.244 4.076 4.320 -0.000 0.000 0.262 318 K C -0.109 176.590 176.600 0.165 0.000 1.024 318 K CA 0.877 57.228 56.287 0.107 0.000 0.748 318 K CB -1.950 30.593 32.500 0.071 0.000 1.247 318 K HN 0.595 nan 8.250 nan 0.000 0.482 319 H N -1.368 117.695 119.070 -0.013 0.000 2.563 319 H HA 0.221 4.776 4.556 -0.000 0.000 0.264 319 H C 0.716 176.031 175.328 -0.021 0.000 0.957 319 H CA 0.538 56.577 56.048 -0.015 0.000 1.173 319 H CB 0.581 30.335 29.762 -0.014 0.000 1.420 319 H HN 0.372 nan 8.280 nan 0.000 0.551 320 A N 0.637 123.509 122.820 0.087 0.000 2.355 320 A HA 0.369 4.689 4.320 -0.000 0.000 0.317 320 A C 0.938 178.528 177.584 0.011 0.000 1.094 320 A CA -0.513 51.541 52.037 0.028 0.000 0.764 320 A CB 1.512 20.523 19.000 0.019 0.000 1.230 320 A HN 0.032 nan 8.150 nan 0.000 0.448 321 V N 1.504 121.416 119.914 -0.004 0.000 2.379 321 V HA -0.001 4.119 4.120 -0.000 0.000 0.245 321 V C 1.272 177.371 176.094 0.008 0.000 1.044 321 V CA 2.187 64.490 62.300 0.004 0.000 1.036 321 V CB -0.424 31.403 31.823 0.006 0.000 0.664 321 V HN 1.066 nan 8.190 nan 0.000 0.453 322 S N -1.317 114.382 115.700 -0.002 0.000 2.588 322 S HA 0.868 5.338 4.470 -0.000 0.000 0.275 322 S C -0.831 173.761 174.600 -0.014 0.000 1.130 322 S CA -0.063 58.141 58.200 0.006 0.000 0.855 322 S CB 2.596 65.818 63.200 0.036 0.000 1.116 322 S HN 0.757 nan 8.310 nan 0.000 0.472 323 A N 0.209 123.032 122.820 0.004 0.000 2.587 323 A HA 0.998 5.318 4.320 -0.000 0.000 0.293 323 A C -0.211 177.391 177.584 0.031 0.000 1.087 323 A CA -0.451 51.588 52.037 0.002 0.000 0.692 323 A CB 1.290 20.292 19.000 0.004 0.000 1.291 323 A HN 1.990 nan 8.150 nan 0.000 0.407 324 G N -0.730 108.096 108.800 0.044 0.000 2.733 324 G HA2 0.778 4.738 3.960 -0.000 0.000 0.297 324 G HA3 0.778 4.738 3.960 -0.000 0.000 0.297 324 G C -0.584 174.354 174.900 0.065 0.000 1.422 324 G CA 0.300 45.438 45.100 0.063 0.000 0.942 324 G HN 1.706 nan 8.290 nan 0.000 0.510 325 A N -0.322 122.526 122.820 0.047 0.000 2.288 325 A HA 1.056 5.376 4.320 -0.000 0.000 0.328 325 A C 0.367 177.915 177.584 -0.059 0.000 1.123 325 A CA -0.240 51.792 52.037 -0.008 0.000 0.861 325 A CB 1.831 20.839 19.000 0.014 0.000 1.272 325 A HN 2.263 nan 8.150 nan 0.000 0.490 326 G N -1.575 107.089 108.800 -0.225 0.000 2.596 326 G HA2 0.519 4.479 3.960 -0.000 0.000 0.296 326 G HA3 0.519 4.479 3.960 -0.000 0.000 0.296 326 G C -2.165 172.610 174.900 -0.209 0.000 1.513 326 G CA -0.304 44.722 45.100 -0.123 0.000 0.851 326 G HN 1.606 nan 8.290 nan 0.000 0.548 327 Y N 1.361 121.543 120.300 -0.197 0.000 2.348 327 Y HA 0.456 5.006 4.550 -0.000 0.000 0.321 327 Y C -1.536 174.378 175.900 0.023 0.000 1.163 327 Y CA -1.704 56.330 58.100 -0.110 0.000 1.070 327 Y CB 2.022 40.422 38.460 -0.099 0.000 1.250 327 Y HN 0.438 nan 8.280 nan 0.000 0.425 328 D N 3.980 124.285 120.400 -0.158 0.000 2.483 328 D HA 0.118 4.758 4.640 -0.000 0.000 0.220 328 D C 1.105 177.031 176.300 -0.623 0.000 1.173 328 D CA 0.461 54.291 54.000 -0.284 0.000 0.964 328 D CB 0.939 41.692 40.800 -0.079 0.000 1.046 328 D HN 0.625 nan 8.370 nan 0.000 0.517 329 S N 1.563 116.769 115.700 -0.823 0.000 2.453 329 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 329 S C 0.646 175.057 174.600 -0.316 0.000 1.005 329 S CA 0.077 57.819 58.200 -0.765 0.000 0.949 329 S CB 0.301 63.252 63.200 -0.415 0.000 0.774 329 S HN 0.284 nan 8.310 nan 0.000 0.510 330 L N 1.842 122.917 121.223 -0.247 0.000 2.441 330 L HA 0.678 5.018 4.340 -0.000 0.000 0.270 330 L C -0.873 175.938 176.870 -0.098 0.000 0.973 330 L CA 0.092 54.826 54.840 -0.177 0.000 0.842 330 L CB 1.992 43.889 42.059 -0.271 0.000 1.239 330 L HN 0.352 nan 8.230 nan 0.000 0.406 331 S N 3.213 118.896 115.700 -0.028 0.000 2.596 331 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 331 S C 0.548 175.209 174.600 0.101 0.000 1.155 331 S CA -0.842 57.396 58.200 0.063 0.000 0.827 331 S CB 1.822 65.102 63.200 0.133 0.000 1.130 331 S HN 0.679 nan 8.310 nan 0.000 0.467 332 R N 0.585 121.188 120.500 0.172 0.000 2.066 332 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 332 R C 2.194 178.552 176.300 0.097 0.000 1.131 332 R CA 1.813 57.992 56.100 0.132 0.000 0.955 332 R CB -1.043 29.351 30.300 0.156 0.000 0.851 332 R HN 0.884 nan 8.270 nan 0.000 0.432 333 G N -0.370 108.504 108.800 0.124 0.000 2.559 333 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 333 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 333 G C 0.010 174.848 174.900 -0.103 0.000 1.126 333 G CA 0.190 45.255 45.100 -0.059 0.000 0.778 333 G HN 0.484 nan 8.290 nan 0.000 0.543 334 Q N -0.867 118.930 119.800 -0.004 0.000 2.453 334 Q HA -0.148 4.192 4.340 -0.000 0.000 0.294 334 Q C -0.606 175.362 176.000 -0.054 0.000 1.295 334 Q CA 0.493 56.286 55.803 -0.015 0.000 0.853 334 Q CB -1.036 27.692 28.738 -0.016 0.000 1.193 334 Q HN 0.433 nan 8.270 nan 0.000 0.461 335 Q N -0.092 119.669 119.800 -0.064 0.000 2.293 335 Q HA 0.548 4.888 4.340 -0.000 0.000 0.261 335 Q C 0.330 176.401 176.000 0.119 0.000 0.960 335 Q CA 0.052 55.815 55.803 -0.066 0.000 0.882 335 Q CB 1.951 30.482 28.738 -0.345 0.000 1.275 335 Q HN 0.359 nan 8.270 nan 0.000 0.445 336 G N 2.288 111.203 108.800 0.191 0.000 2.348 336 G HA2 0.594 4.554 3.960 -0.000 0.000 0.312 336 G HA3 0.594 4.554 3.960 -0.000 0.000 0.312 336 G C -0.840 174.321 174.900 0.436 0.000 1.126 336 G CA -0.348 44.956 45.100 0.340 0.000 0.865 336 G HN 0.462 nan 8.290 nan 0.000 0.474 337 L N 2.228 123.755 121.223 0.507 0.000 2.406 337 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 337 L C -1.360 175.856 176.870 0.575 0.000 0.980 337 L CA -0.771 54.365 54.840 0.494 0.000 0.831 337 L CB 2.155 44.454 42.059 0.400 0.000 1.253 337 L HN 0.518 nan 8.230 nan 0.000 0.406 338 F N 4.876 125.045 119.950 0.365 0.000 2.415 338 F HA 0.552 5.080 4.527 0.001 0.000 0.348 338 F C -0.154 175.860 175.800 0.356 0.000 1.119 338 F CA -0.264 57.924 58.000 0.313 0.000 1.069 338 F CB 1.073 40.168 39.000 0.159 0.000 1.124 338 F HN 0.218 nan 8.300 nan 0.000 0.472 339 I N 6.490 127.124 120.570 0.106 0.000 2.436 339 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 339 I C -1.285 174.904 176.117 0.120 0.000 1.010 339 I CA -0.885 60.490 61.300 0.125 0.000 1.098 339 I CB 1.655 39.700 38.000 0.075 0.000 1.266 339 I HN 0.295 nan 8.210 nan 0.000 0.434 340 L N 6.519 127.854 121.223 0.187 0.000 2.334 340 L HA 0.612 4.952 4.340 -0.000 0.000 0.276 340 L C -0.125 176.780 176.870 0.057 0.000 1.014 340 L CA -0.298 54.638 54.840 0.160 0.000 0.815 340 L CB 1.503 43.721 42.059 0.266 0.000 1.268 340 L HN 0.707 nan 8.230 nan 0.000 0.428 341 E N 1.247 121.476 120.200 0.049 0.000 2.445 341 E HA 0.857 5.207 4.350 -0.000 0.000 0.279 341 E C -1.008 175.539 176.600 -0.088 0.000 1.018 341 E CA -0.955 55.442 56.400 -0.006 0.000 0.816 341 E CB 2.313 32.099 29.700 0.144 0.000 1.356 341 E HN 0.634 nan 8.360 nan 0.000 0.462 342 G N -0.362 108.248 108.800 -0.317 0.000 2.342 342 G HA2 0.440 4.399 3.960 -0.000 0.000 0.297 342 G HA3 0.440 4.399 3.960 -0.000 0.000 0.297 342 G C -1.766 172.796 174.900 -0.563 0.000 1.313 342 G CA -0.245 44.658 45.100 -0.329 0.000 0.830 342 G HN 0.515 nan 8.290 nan 0.000 0.506 343 V N 1.551 121.287 119.914 -0.298 0.000 2.577 343 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 343 V C -2.301 173.734 176.094 -0.099 0.000 1.042 343 V CA -1.376 60.797 62.300 -0.211 0.000 0.872 343 V CB 2.347 34.113 31.823 -0.094 0.000 0.998 343 V HN 0.637 nan 8.190 nan 0.000 0.423 344 P HA 0.321 nan 4.420 nan 0.000 0.272 344 P C -0.293 176.982 177.300 -0.041 0.000 1.230 344 P CA -0.016 63.053 63.100 -0.050 0.000 0.788 344 P CB 0.609 32.279 31.700 -0.051 0.000 0.949 345 S N 0.128 115.798 115.700 -0.051 0.000 2.713 345 S HA 0.288 4.758 4.470 -0.000 0.000 0.277 345 S C -0.117 174.448 174.600 -0.059 0.000 1.168 345 S CA -0.853 57.319 58.200 -0.046 0.000 0.994 345 S CB 0.161 63.333 63.200 -0.046 0.000 1.054 345 S HN 0.240 nan 8.310 nan 0.000 0.555 346 K N 1.044 121.417 120.400 -0.046 0.000 2.466 346 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 346 K C 1.209 177.769 176.600 -0.067 0.000 1.048 346 K CA 1.004 57.265 56.287 -0.044 0.000 1.088 346 K CB -0.372 32.110 32.500 -0.030 0.000 0.884 346 K HN 0.922 nan 8.250 nan 0.000 0.478 347 G N 1.329 110.092 108.800 -0.062 0.000 2.179 347 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 347 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 347 G C 0.042 174.878 174.900 -0.107 0.000 0.977 347 G CA 0.075 45.132 45.100 -0.072 0.000 0.641 347 G HN 0.439 nan 8.290 nan 0.000 0.533 348 V N 2.749 122.584 119.914 -0.133 0.000 2.432 348 V HA 0.576 4.696 4.120 -0.000 0.000 0.275 348 V C 1.122 177.164 176.094 -0.086 0.000 1.043 348 V CA 0.026 62.226 62.300 -0.166 0.000 0.925 348 V CB 1.104 32.788 31.823 -0.231 0.000 0.985 348 V HN 0.637 nan 8.190 nan 0.000 0.466 349 T N 2.050 116.568 114.554 -0.061 0.000 2.868 349 T HA 0.287 4.637 4.350 -0.000 0.000 0.292 349 T C 1.179 175.863 174.700 -0.026 0.000 1.028 349 T CA -0.402 61.678 62.100 -0.033 0.000 1.059 349 T CB 1.099 69.955 68.868 -0.020 0.000 0.991 349 T HN 0.385 nan 8.240 nan 0.000 0.531 350 I N 1.482 122.039 120.570 -0.022 0.000 2.264 350 I HA -0.070 4.100 4.170 -0.000 0.000 0.248 350 I C 2.395 178.501 176.117 -0.019 0.000 1.111 350 I CA 1.935 63.220 61.300 -0.024 0.000 1.382 350 I CB -0.935 37.054 38.000 -0.018 0.000 1.060 350 I HN 0.879 nan 8.210 nan 0.000 0.418 351 A N -1.055 121.759 122.820 -0.011 0.000 2.030 351 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 351 A C 2.170 179.760 177.584 0.009 0.000 1.164 351 A CA 0.844 52.877 52.037 -0.006 0.000 0.697 351 A CB -0.496 18.499 19.000 -0.007 0.000 0.827 351 A HN 0.465 nan 8.150 nan 0.000 0.457 352 Q N -0.140 119.671 119.800 0.018 0.000 2.291 352 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 352 Q C 1.717 177.764 176.000 0.077 0.000 0.970 352 Q CA 0.891 56.723 55.803 0.049 0.000 0.876 352 Q CB -0.450 28.323 28.738 0.059 0.000 0.935 352 Q HN 0.637 nan 8.270 nan 0.000 0.455 353 L N -0.155 121.099 121.223 0.051 0.000 2.027 353 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 353 L C 2.203 179.091 176.870 0.030 0.000 1.074 353 L CA 1.818 56.687 54.840 0.049 0.000 0.745 353 L CB -0.397 41.664 42.059 0.003 0.000 0.898 353 L HN 0.424 nan 8.230 nan 0.000 0.433 354 E N -0.610 119.598 120.200 0.012 0.000 2.086 354 E HA -0.273 4.077 4.350 -0.000 0.000 0.200 354 E C 1.781 178.402 176.600 0.035 0.000 1.012 354 E CA 2.408 58.815 56.400 0.011 0.000 0.812 354 E CB 0.039 29.736 29.700 -0.006 0.000 0.743 354 E HN 0.503 nan 8.360 nan 0.000 0.453 355 T N 1.175 115.749 114.554 0.033 0.000 2.565 355 T HA -0.238 4.112 4.350 -0.000 0.000 0.265 355 T C 1.358 176.076 174.700 0.029 0.000 1.082 355 T CA 1.856 63.976 62.100 0.033 0.000 1.173 355 T CB -0.735 68.150 68.868 0.029 0.000 0.864 355 T HN 0.255 nan 8.240 nan 0.000 0.425 356 D N 1.085 121.499 120.400 0.023 0.000 2.127 356 D HA -0.074 4.566 4.640 -0.000 0.000 0.190 356 D C 2.173 178.486 176.300 0.021 0.000 1.000 356 D CA 0.938 54.938 54.000 -0.000 0.000 0.839 356 D CB -0.633 40.166 40.800 -0.003 0.000 0.955 356 D HN 0.292 nan 8.370 nan 0.000 0.446 357 L N 0.093 121.342 121.223 0.044 0.000 1.989 357 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 357 L C 2.618 179.554 176.870 0.110 0.000 1.071 357 L CA 1.360 56.245 54.840 0.074 0.000 0.749 357 L CB -0.366 41.741 42.059 0.080 0.000 0.890 357 L HN -0.002 nan 8.230 nan 0.000 0.431 358 R N -0.060 120.515 120.500 0.125 0.000 2.081 358 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 358 R C 2.316 178.656 176.300 0.068 0.000 1.131 358 R CA 1.254 57.444 56.100 0.150 0.000 0.960 358 R CB -0.513 29.886 30.300 0.165 0.000 0.856 358 R HN 0.362 nan 8.270 nan 0.000 0.436 359 A N 0.959 123.803 122.820 0.040 0.000 2.186 359 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 359 A C 1.824 179.407 177.584 -0.001 0.000 1.159 359 A CA 1.124 53.167 52.037 0.009 0.000 0.680 359 A CB -0.152 18.845 19.000 -0.005 0.000 0.787 359 A HN 0.240 nan 8.150 nan 0.000 0.467 360 Q N -0.719 119.089 119.800 0.014 0.000 2.163 360 Q HA -0.017 4.323 4.340 -0.000 0.000 0.198 360 Q C 2.245 178.238 176.000 -0.012 0.000 0.954 360 Q CA 1.453 57.261 55.803 0.008 0.000 0.851 360 Q CB -0.512 28.245 28.738 0.031 0.000 0.928 360 Q HN 0.521 nan 8.270 nan 0.000 0.459 361 V N 0.983 120.883 119.914 -0.023 0.000 2.407 361 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 361 V C 2.474 178.500 176.094 -0.114 0.000 1.041 361 V CA 1.615 63.852 62.300 -0.105 0.000 1.040 361 V CB -0.563 31.142 31.823 -0.197 0.000 0.671 361 V HN 0.237 nan 8.190 nan 0.000 0.455 362 R N 0.549 121.007 120.500 -0.070 0.000 2.091 362 R HA -0.251 4.089 4.340 -0.000 0.000 0.238 362 R C 2.069 178.336 176.300 -0.056 0.000 1.136 362 R CA 2.387 58.451 56.100 -0.060 0.000 0.959 362 R CB -0.450 29.833 30.300 -0.028 0.000 0.856 362 R HN 0.600 nan 8.270 nan 0.000 0.437 363 D N -0.291 120.083 120.400 -0.044 0.000 2.097 363 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 363 D C 1.805 178.079 176.300 -0.043 0.000 0.984 363 D CA 1.452 55.430 54.000 -0.037 0.000 0.826 363 D CB 0.042 40.825 40.800 -0.027 0.000 0.973 363 D HN 0.312 nan 8.370 nan 0.000 0.460 364 I N 0.280 120.819 120.570 -0.052 0.000 2.394 364 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 364 I C 2.340 178.414 176.117 -0.072 0.000 1.136 364 I CA 0.846 62.112 61.300 -0.056 0.000 1.425 364 I CB -0.250 37.714 38.000 -0.059 0.000 1.079 364 I HN 0.049 nan 8.210 nan 0.000 0.425 365 A N 0.662 123.427 122.820 -0.091 0.000 1.969 365 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 365 A C 2.476 180.018 177.584 -0.070 0.000 1.169 365 A CA 1.636 53.614 52.037 -0.097 0.000 0.635 365 A CB -0.495 18.432 19.000 -0.123 0.000 0.810 365 A HN 0.414 nan 8.150 nan 0.000 0.445 366 A N -0.867 121.919 122.820 -0.057 0.000 1.984 366 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 366 A C 1.946 179.509 177.584 -0.036 0.000 1.173 366 A CA 1.279 53.290 52.037 -0.043 0.000 0.673 366 A CB -0.046 18.932 19.000 -0.036 0.000 0.830 366 A HN 0.436 nan 8.150 nan 0.000 0.453 367 K N -1.405 118.974 120.400 -0.036 0.000 2.402 367 K HA 0.353 4.673 4.320 -0.000 0.000 0.203 367 K C 0.901 177.484 176.600 -0.028 0.000 1.077 367 K CA 0.360 56.630 56.287 -0.029 0.000 1.051 367 K CB 0.711 33.197 32.500 -0.024 0.000 0.907 367 K HN 0.549 nan 8.250 nan 0.000 0.554 368 G N 1.731 110.510 108.800 -0.036 0.000 2.697 368 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.240 368 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.240 368 G C -0.135 174.750 174.900 -0.025 0.000 1.346 368 G CA -0.215 44.865 45.100 -0.034 0.000 0.887 368 G HN 0.216 nan 8.290 nan 0.000 0.569 369 V N -2.946 116.956 119.914 -0.020 0.000 3.096 369 V HA 0.969 5.089 4.120 -0.000 0.000 0.319 369 V C 0.778 176.868 176.094 -0.006 0.000 1.103 369 V CA 0.396 62.691 62.300 -0.009 0.000 1.016 369 V CB 1.534 33.355 31.823 -0.003 0.000 1.090 369 V HN 2.208 nan 8.190 nan 0.000 0.449 370 T N -2.129 112.426 114.554 0.001 0.000 2.928 370 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 370 T C 0.780 175.480 174.700 -0.000 0.000 1.008 370 T CA 0.286 62.387 62.100 0.001 0.000 1.057 370 T CB 1.523 70.394 68.868 0.006 0.000 1.018 370 T HN 0.961 nan 8.240 nan 0.000 0.493 371 E N 1.189 121.386 120.200 -0.004 0.000 2.130 371 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 371 E C 2.223 178.820 176.600 -0.006 0.000 0.998 371 E CA 1.357 57.753 56.400 -0.007 0.000 0.806 371 E CB -0.461 29.234 29.700 -0.009 0.000 0.738 371 E HN 0.848 nan 8.360 nan 0.000 0.459 372 A N 0.987 123.808 122.820 0.000 0.000 1.902 372 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 372 A C 1.911 179.499 177.584 0.007 0.000 1.181 372 A CA 1.682 53.721 52.037 0.004 0.000 0.623 372 A CB -0.458 18.549 19.000 0.012 0.000 0.818 372 A HN 0.301 nan 8.150 nan 0.000 0.443 373 E N -0.940 119.270 120.200 0.017 0.000 2.106 373 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 373 E C 1.933 178.540 176.600 0.012 0.000 0.984 373 E CA 1.080 57.497 56.400 0.030 0.000 0.806 373 E CB -0.191 29.532 29.700 0.039 0.000 0.750 373 E HN 0.494 nan 8.360 nan 0.000 0.458 374 L N 0.797 122.019 121.223 -0.001 0.000 2.027 374 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 374 L C 2.180 179.033 176.870 -0.027 0.000 1.074 374 L CA 1.602 56.435 54.840 -0.013 0.000 0.745 374 L CB -0.402 41.647 42.059 -0.016 0.000 0.898 374 L HN -0.074 nan 8.230 nan 0.000 0.433 375 S N -0.318 115.366 115.700 -0.028 0.000 2.359 375 S HA -0.256 4.214 4.470 -0.000 0.000 0.222 375 S C 2.020 176.590 174.600 -0.050 0.000 1.038 375 S CA 1.507 59.685 58.200 -0.037 0.000 1.051 375 S CB -0.471 62.711 63.200 -0.030 0.000 0.944 375 S HN 0.398 nan 8.310 nan 0.000 0.433 376 R N 0.367 120.837 120.500 -0.051 0.000 2.159 376 R HA -0.182 4.158 4.340 -0.000 0.000 0.249 376 R C 2.243 178.481 176.300 -0.104 0.000 1.136 376 R CA 1.958 58.004 56.100 -0.089 0.000 0.951 376 R CB -1.041 29.206 30.300 -0.088 0.000 0.876 376 R HN 0.313 nan 8.270 nan 0.000 0.440 377 V N 1.022 120.896 119.914 -0.068 0.000 2.233 377 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 377 V C 2.213 178.255 176.094 -0.087 0.000 1.050 377 V CA 2.054 64.315 62.300 -0.065 0.000 1.010 377 V CB -0.467 31.336 31.823 -0.033 0.000 0.637 377 V HN 0.365 nan 8.190 nan 0.000 0.444 378 K N 0.356 120.706 120.400 -0.084 0.000 2.044 378 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 378 K C 2.374 178.922 176.600 -0.086 0.000 1.049 378 K CA 1.953 58.183 56.287 -0.095 0.000 0.927 378 K CB -0.457 31.994 32.500 -0.081 0.000 0.713 378 K HN 0.382 nan 8.250 nan 0.000 0.443 379 S N 1.145 116.799 115.700 -0.076 0.000 2.368 379 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 379 S C 1.958 176.511 174.600 -0.078 0.000 1.030 379 S CA 1.286 59.444 58.200 -0.069 0.000 0.999 379 S CB -0.202 62.961 63.200 -0.063 0.000 0.844 379 S HN 0.324 nan 8.310 nan 0.000 0.459 380 Q N 0.357 120.104 119.800 -0.087 0.000 2.119 380 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 380 Q C 2.246 178.204 176.000 -0.070 0.000 0.972 380 Q CA 1.149 56.906 55.803 -0.077 0.000 0.847 380 Q CB -0.244 28.443 28.738 -0.085 0.000 0.903 380 Q HN 0.577 nan 8.270 nan 0.000 0.433 381 M N -0.378 119.174 119.600 -0.079 0.000 2.200 381 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 381 M C 2.217 178.539 176.300 0.037 0.000 1.066 381 M CA 0.945 56.208 55.300 -0.061 0.000 1.127 381 M CB -0.382 32.074 32.600 -0.240 0.000 1.379 381 M HN 0.060 nan 8.290 nan 0.000 0.420 382 V N 1.194 121.090 119.914 -0.029 0.000 2.287 382 V HA -0.284 3.835 4.120 -0.000 0.000 0.248 382 V C 2.813 178.824 176.094 -0.138 0.000 1.053 382 V CA 2.242 64.517 62.300 -0.042 0.000 1.027 382 V CB -1.300 30.490 31.823 -0.056 0.000 0.646 382 V HN 0.517 nan 8.190 nan 0.000 0.447 383 A N 0.473 123.159 122.820 -0.223 0.000 1.841 383 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 383 A C 2.475 179.585 177.584 -0.790 0.000 1.195 383 A CA 1.886 53.594 52.037 -0.549 0.000 0.611 383 A CB -1.481 17.274 19.000 -0.407 0.000 0.835 383 A HN 0.539 nan 8.150 nan 0.000 0.443 384 G N -0.619 107.967 108.800 -0.357 0.000 2.507 384 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.221 384 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.221 384 G C 1.603 176.458 174.900 -0.076 0.000 1.119 384 G CA 1.315 46.339 45.100 -0.127 0.000 0.751 384 G HN 0.553 nan 8.290 nan 0.000 0.574 385 K N -0.130 120.231 120.400 -0.065 0.000 2.366 385 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 385 K C 2.323 178.843 176.600 -0.134 0.000 1.044 385 K CA 0.490 56.719 56.287 -0.098 0.000 0.973 385 K CB 0.076 32.517 32.500 -0.099 0.000 0.767 385 K HN 0.295 nan 8.250 nan 0.000 0.475 386 V N 0.097 119.890 119.914 -0.201 0.000 2.426 386 V HA -0.153 3.967 4.120 -0.000 0.000 0.242 386 V C 1.721 177.830 176.094 0.026 0.000 1.036 386 V CA 1.050 63.279 62.300 -0.118 0.000 1.044 386 V CB -0.617 31.122 31.823 -0.140 0.000 0.688 386 V HN 0.275 nan 8.190 nan 0.000 0.462 387 Y N 0.688 120.997 120.300 0.016 0.000 2.274 387 Y HA -0.211 4.340 4.550 0.001 0.000 0.290 387 Y C 2.651 178.560 175.900 0.015 0.000 1.145 387 Y CA 1.054 59.164 58.100 0.017 0.000 1.203 387 Y CB -0.266 38.209 38.460 0.025 0.000 0.984 387 Y HN 0.293 nan 8.280 nan 0.000 0.533 388 E N 0.553 120.832 120.200 0.132 0.000 2.130 388 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 388 E C 2.030 178.655 176.600 0.043 0.000 0.998 388 E CA 1.347 57.790 56.400 0.071 0.000 0.806 388 E CB -0.160 29.552 29.700 0.021 0.000 0.738 388 E HN 0.625 nan 8.360 nan 0.000 0.459 389 Q N 0.091 119.909 119.800 0.031 0.000 2.291 389 Q HA -0.163 4.177 4.340 -0.000 0.000 0.205 389 Q C 1.646 177.662 176.000 0.028 0.000 0.970 389 Q CA 1.015 56.825 55.803 0.012 0.000 0.876 389 Q CB 0.031 28.769 28.738 -0.001 0.000 0.935 389 Q HN 0.204 nan 8.270 nan 0.000 0.455 390 D N 0.418 120.852 120.400 0.057 0.000 2.144 390 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 390 D C 0.322 176.643 176.300 0.036 0.000 0.984 390 D CA 0.624 54.654 54.000 0.050 0.000 0.834 390 D CB 0.093 40.931 40.800 0.063 0.000 0.955 390 D HN -0.078 nan 8.370 nan 0.000 0.465 391 S N -0.412 115.312 115.700 0.040 0.000 2.499 391 S HA 0.189 4.659 4.470 -0.000 0.000 0.275 391 S C 1.410 176.022 174.600 0.021 0.000 1.257 391 S CA -0.615 57.604 58.200 0.032 0.000 1.050 391 S CB 0.382 63.605 63.200 0.038 0.000 0.937 391 S HN 0.185 nan 8.310 nan 0.000 0.490 392 L N 4.305 125.540 121.223 0.021 0.000 2.023 392 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 392 L C 2.520 179.401 176.870 0.019 0.000 1.073 392 L CA 0.990 55.840 54.840 0.016 0.000 0.745 392 L CB -0.486 41.587 42.059 0.023 0.000 0.900 392 L HN 0.668 nan 8.230 nan 0.000 0.435 393 M N 0.708 120.319 119.600 0.018 0.000 2.089 393 M HA -0.181 4.299 4.480 -0.000 0.000 0.257 393 M C 2.020 178.327 176.300 0.010 0.000 1.071 393 M CA 2.198 57.493 55.300 -0.009 0.000 1.096 393 M CB -1.178 31.399 32.600 -0.038 0.000 1.330 393 M HN 0.192 nan 8.290 nan 0.000 0.403 394 G N -1.035 107.776 108.800 0.019 0.000 2.491 394 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 394 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 394 G C 1.482 176.395 174.900 0.021 0.000 1.180 394 G CA 1.025 46.142 45.100 0.028 0.000 0.774 394 G HN 0.620 nan 8.290 nan 0.000 0.562 395 Q N -0.014 119.789 119.800 0.006 0.000 2.050 395 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 395 Q C 3.105 179.092 176.000 -0.020 0.000 0.980 395 Q CA 1.220 57.011 55.803 -0.019 0.000 0.840 395 Q CB -0.291 28.425 28.738 -0.037 0.000 0.898 395 Q HN 0.466 nan 8.270 nan 0.000 0.424 396 A N 0.540 123.365 122.820 0.007 0.000 1.873 396 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 396 A C 2.274 179.908 177.584 0.082 0.000 1.193 396 A CA 2.185 54.246 52.037 0.039 0.000 0.629 396 A CB -1.213 17.839 19.000 0.086 0.000 0.826 396 A HN 0.391 nan 8.150 nan 0.000 0.447 397 T N -0.306 114.343 114.554 0.158 0.000 2.665 397 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 397 T C 2.071 176.786 174.700 0.025 0.000 1.035 397 T CA 1.688 63.965 62.100 0.296 0.000 1.151 397 T CB -0.355 68.664 68.868 0.251 0.000 0.862 397 T HN 0.599 nan 8.240 nan 0.000 0.438 398 Q N 0.242 120.031 119.800 -0.018 0.000 2.061 398 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 398 Q C 2.382 178.280 176.000 -0.171 0.000 0.984 398 Q CA 1.468 57.225 55.803 -0.077 0.000 0.846 398 Q CB -0.312 28.405 28.738 -0.035 0.000 0.902 398 Q HN 0.565 nan 8.270 nan 0.000 0.421 399 I N -0.144 120.324 120.570 -0.170 0.000 2.113 399 I HA -0.222 3.948 4.170 -0.000 0.000 0.238 399 I C 2.422 178.276 176.117 -0.438 0.000 1.070 399 I CA 1.226 62.410 61.300 -0.193 0.000 1.332 399 I CB -0.789 37.122 38.000 -0.148 0.000 1.044 399 I HN 0.329 nan 8.210 nan 0.000 0.402 400 G N 0.436 108.760 108.800 -0.792 0.000 2.440 400 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 400 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 400 G C 1.701 175.510 174.900 -1.818 0.000 1.154 400 G CA 0.885 44.913 45.100 -1.785 0.000 0.767 400 G HN 0.524 nan 8.290 nan 0.000 0.552 401 G N 0.359 108.292 108.800 -1.445 0.000 2.443 401 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.219 401 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.219 401 G C 1.719 176.363 174.900 -0.427 0.000 1.131 401 G CA 0.533 45.156 45.100 -0.796 0.000 0.775 401 G HN 0.441 nan 8.290 nan 0.000 0.547 402 L N -0.357 120.642 121.223 -0.374 0.000 2.249 402 L HA 0.141 4.481 4.340 -0.000 0.000 0.207 402 L C 2.731 179.471 176.870 -0.217 0.000 1.090 402 L CA 0.352 55.052 54.840 -0.234 0.000 0.802 402 L CB -0.058 41.902 42.059 -0.164 0.000 0.947 402 L HN 0.070 nan 8.230 nan 0.000 0.453 403 E N -0.175 119.855 120.200 -0.283 0.000 2.072 403 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 403 E C 2.214 178.703 176.600 -0.185 0.000 0.982 403 E CA 0.985 57.256 56.400 -0.215 0.000 0.803 403 E CB -0.323 29.236 29.700 -0.234 0.000 0.755 403 E HN 0.204 nan 8.360 nan 0.000 0.453 404 V N 1.053 120.819 119.914 -0.246 0.000 2.720 404 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 404 V C 1.783 177.864 176.094 -0.021 0.000 1.082 404 V CA 0.898 63.144 62.300 -0.091 0.000 1.101 404 V CB -0.176 31.632 31.823 -0.025 0.000 0.693 404 V HN 0.112 nan 8.190 nan 0.000 0.479 405 L N 0.889 122.077 121.223 -0.059 0.000 2.599 405 L HA 0.357 4.697 4.340 -0.000 0.000 0.230 405 L C 1.875 178.727 176.870 -0.029 0.000 1.141 405 L CA 1.304 56.133 54.840 -0.020 0.000 0.877 405 L CB -0.835 41.198 42.059 -0.044 0.000 1.009 405 L HN 0.497 nan 8.230 nan 0.000 0.447 406 G N -1.322 107.452 108.800 -0.044 0.000 2.162 406 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 406 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 406 G C 0.517 175.380 174.900 -0.062 0.000 0.976 406 G CA 0.688 45.763 45.100 -0.043 0.000 0.655 406 G HN 0.340 nan 8.290 nan 0.000 0.533 407 L N -0.676 120.497 121.223 -0.082 0.000 2.874 407 L HA 0.858 5.198 4.340 -0.000 0.000 0.229 407 L C 0.912 177.706 176.870 -0.127 0.000 1.200 407 L CA -0.507 54.274 54.840 -0.099 0.000 0.976 407 L CB 1.183 43.181 42.059 -0.101 0.000 1.887 407 L HN 0.177 nan 8.230 nan 0.000 0.543 408 S N -1.379 114.222 115.700 -0.166 0.000 2.570 408 S HA 0.260 4.730 4.470 -0.000 0.000 0.286 408 S C 0.468 174.920 174.600 -0.247 0.000 1.099 408 S CA -0.859 57.188 58.200 -0.254 0.000 0.913 408 S CB 1.142 64.104 63.200 -0.397 0.000 1.085 408 S HN 0.683 nan 8.310 nan 0.000 0.480 409 W N 3.937 125.167 121.300 -0.116 0.000 2.387 409 W HA -0.093 4.567 4.660 0.000 0.000 0.272 409 W C 0.988 177.451 176.519 -0.093 0.000 1.224 409 W CA 0.523 57.796 57.345 -0.120 0.000 1.210 409 W CB -0.677 28.707 29.460 -0.127 0.000 1.125 409 W HN 0.670 nan 8.180 nan 0.000 0.572 410 R N 0.754 120.715 120.500 -0.898 0.000 2.189 410 R HA -0.095 4.245 4.340 -0.000 0.000 0.223 410 R C 1.124 177.258 176.300 -0.277 0.000 1.092 410 R CA 1.403 57.073 56.100 -0.717 0.000 0.989 410 R CB -0.344 29.385 30.300 -0.951 0.000 0.876 410 R HN 0.049 nan 8.270 nan 0.000 0.457 411 D N 0.277 120.552 120.400 -0.208 0.000 2.363 411 D HA -0.079 4.561 4.640 -0.000 0.000 0.226 411 D C 0.857 177.179 176.300 0.037 0.000 1.020 411 D CA 0.743 54.697 54.000 -0.078 0.000 0.892 411 D CB 0.063 40.813 40.800 -0.083 0.000 0.900 411 D HN 0.158 nan 8.370 nan 0.000 0.531 412 D N 0.532 120.956 120.400 0.039 0.000 2.103 412 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 412 D C 1.539 177.932 176.300 0.154 0.000 0.978 412 D CA 0.820 54.891 54.000 0.117 0.000 0.829 412 D CB 0.179 41.000 40.800 0.036 0.000 0.981 412 D HN -0.055 nan 8.370 nan 0.000 0.464 413 D N -0.814 119.626 120.400 0.065 0.000 2.219 413 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 413 D C 1.970 178.320 176.300 0.084 0.000 0.970 413 D CA 0.743 54.777 54.000 0.057 0.000 0.851 413 D CB 0.183 40.990 40.800 0.012 0.000 0.943 413 D HN 0.100 nan 8.370 nan 0.000 0.488 414 R N -0.801 119.757 120.500 0.098 0.000 2.064 414 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 414 R C 2.157 178.545 176.300 0.147 0.000 1.144 414 R CA 1.235 57.391 56.100 0.093 0.000 0.932 414 R CB -0.751 29.604 30.300 0.092 0.000 0.833 414 R HN 0.183 nan 8.270 nan 0.000 0.429 415 F N 0.880 120.900 119.950 0.118 0.000 2.063 415 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 415 F C 1.419 177.287 175.800 0.114 0.000 1.105 415 F CA 1.517 59.645 58.000 0.213 0.000 1.215 415 F CB -0.526 38.645 39.000 0.285 0.000 0.972 415 F HN 0.026 nan 8.300 nan 0.000 0.483 416 Y N 0.793 120.999 120.300 -0.156 0.000 2.473 416 Y HA 0.025 4.575 4.550 -0.000 0.000 0.329 416 Y C 1.890 177.649 175.900 -0.235 0.000 1.207 416 Y CA 0.849 58.778 58.100 -0.285 0.000 1.266 416 Y CB -0.812 37.579 38.460 -0.116 0.000 1.091 416 Y HN 0.566 nan 8.280 nan 0.000 0.501 417 Q N -3.082 116.618 119.800 -0.167 0.000 2.106 417 Q HA 0.007 4.347 4.340 -0.000 0.000 0.230 417 Q C 1.277 177.131 176.000 -0.242 0.000 0.720 417 Q CA -0.133 55.575 55.803 -0.159 0.000 0.899 417 Q CB -0.051 28.644 28.738 -0.070 0.000 1.232 417 Q HN 0.046 nan 8.270 nan 0.000 0.461 418 Q N 0.701 120.277 119.800 -0.373 0.000 2.170 418 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 418 Q C 1.886 177.541 176.000 -0.574 0.000 0.976 418 Q CA 0.969 56.471 55.803 -0.502 0.000 0.858 418 Q CB 0.011 28.270 28.738 -0.797 0.000 0.907 418 Q HN 0.342 nan 8.270 nan 0.000 0.433 419 L N 0.744 121.574 121.223 -0.655 0.000 2.093 419 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 419 L C 1.912 178.613 176.870 -0.280 0.000 1.085 419 L CA 1.658 56.216 54.840 -0.470 0.000 0.755 419 L CB -0.178 41.543 42.059 -0.564 0.000 0.904 419 L HN 0.039 nan 8.230 nan 0.000 0.435 420 R N -1.446 118.905 120.500 -0.248 0.000 2.313 420 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 420 R C 1.476 177.701 176.300 -0.125 0.000 0.958 420 R CA 0.742 56.744 56.100 -0.162 0.000 1.047 420 R CB -0.146 30.076 30.300 -0.130 0.000 0.955 420 R HN 0.476 nan 8.270 nan 0.000 0.481 421 S N -1.399 114.218 115.700 -0.139 0.000 2.578 421 S HA 0.154 4.624 4.470 -0.000 0.000 0.231 421 S C 0.551 175.106 174.600 -0.075 0.000 0.994 421 S CA -0.621 57.521 58.200 -0.098 0.000 0.956 421 S CB 0.423 63.563 63.200 -0.099 0.000 0.870 421 S HN -0.123 nan 8.310 nan 0.000 0.494 422 V N 3.822 123.690 119.914 -0.076 0.000 2.740 422 V HA 0.349 4.469 4.120 -0.000 0.000 0.303 422 V C 0.938 177.012 176.094 -0.034 0.000 1.054 422 V CA 0.259 62.536 62.300 -0.039 0.000 1.106 422 V CB 0.713 32.522 31.823 -0.023 0.000 0.957 422 V HN 0.692 nan 8.190 nan 0.000 0.486 423 T N 1.404 115.944 114.554 -0.024 0.000 2.925 423 T HA 0.632 4.982 4.350 -0.000 0.000 0.285 423 T C 1.102 175.789 174.700 -0.023 0.000 1.021 423 T CA -0.134 61.952 62.100 -0.024 0.000 1.042 423 T CB 1.852 70.707 68.868 -0.022 0.000 1.037 423 T HN 0.783 nan 8.240 nan 0.000 0.481 424 A N 1.774 124.581 122.820 -0.022 0.000 1.958 424 A HA 0.042 4.362 4.320 -0.000 0.000 0.221 424 A C 2.574 180.141 177.584 -0.028 0.000 1.178 424 A CA 2.211 54.234 52.037 -0.023 0.000 0.642 424 A CB -1.524 17.464 19.000 -0.020 0.000 0.816 424 A HN 1.325 nan 8.150 nan 0.000 0.453 425 A N -0.451 122.353 122.820 -0.027 0.000 1.908 425 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 425 A C 1.922 179.485 177.584 -0.036 0.000 1.181 425 A CA 1.748 53.767 52.037 -0.030 0.000 0.627 425 A CB -0.525 18.459 19.000 -0.025 0.000 0.818 425 A HN 0.651 nan 8.150 nan 0.000 0.445 426 E N -0.560 119.622 120.200 -0.030 0.000 2.204 426 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 426 E C 1.902 178.475 176.600 -0.045 0.000 0.989 426 E CA 0.983 57.365 56.400 -0.030 0.000 0.824 426 E CB -0.124 29.569 29.700 -0.013 0.000 0.756 426 E HN 0.432 nan 8.360 nan 0.000 0.477 427 V N 1.381 121.269 119.914 -0.044 0.000 2.323 427 V HA -0.232 3.888 4.120 -0.000 0.000 0.244 427 V C 2.319 178.359 176.094 -0.089 0.000 1.041 427 V CA 1.562 63.826 62.300 -0.060 0.000 1.025 427 V CB -0.371 31.428 31.823 -0.038 0.000 0.656 427 V HN 0.177 nan 8.190 nan 0.000 0.451 428 K N 0.381 120.737 120.400 -0.073 0.000 2.063 428 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 428 K C 2.148 178.686 176.600 -0.103 0.000 1.048 428 K CA 1.777 58.015 56.287 -0.082 0.000 0.928 428 K CB -0.297 32.166 32.500 -0.060 0.000 0.713 428 K HN 0.443 nan 8.250 nan 0.000 0.442 429 A N 0.756 123.521 122.820 -0.091 0.000 1.929 429 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 429 A C 2.241 179.741 177.584 -0.139 0.000 1.176 429 A CA 1.559 53.537 52.037 -0.098 0.000 0.628 429 A CB -0.556 18.402 19.000 -0.070 0.000 0.816 429 A HN 0.456 nan 8.150 nan 0.000 0.444 430 A N -0.330 122.399 122.820 -0.152 0.000 2.019 430 A HA 0.212 4.532 4.320 -0.000 0.000 0.219 430 A C 2.324 179.705 177.584 -0.339 0.000 1.164 430 A CA 1.852 53.755 52.037 -0.223 0.000 0.644 430 A CB -0.622 18.260 19.000 -0.197 0.000 0.805 430 A HN 0.928 nan 8.150 nan 0.000 0.449 431 A N -0.463 122.182 122.820 -0.292 0.000 1.935 431 A HA 0.394 4.714 4.320 -0.000 0.000 0.214 431 A C 2.399 179.789 177.584 -0.323 0.000 1.178 431 A CA 1.296 53.122 52.037 -0.350 0.000 0.640 431 A CB -0.825 18.024 19.000 -0.252 0.000 0.825 431 A HN 0.969 nan 8.150 nan 0.000 0.447 432 A N 1.119 123.803 122.820 -0.227 0.000 2.024 432 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 432 A C 2.056 179.515 177.584 -0.208 0.000 1.164 432 A CA 1.556 53.483 52.037 -0.184 0.000 0.643 432 A CB -0.560 18.364 19.000 -0.127 0.000 0.806 432 A HN 0.683 nan 8.150 nan 0.000 0.451 433 R N -1.262 119.086 120.500 -0.253 0.000 2.325 433 R HA 0.235 4.575 4.340 -0.000 0.000 0.214 433 R C 0.013 176.082 176.300 -0.384 0.000 0.961 433 R CA 0.323 56.278 56.100 -0.243 0.000 1.086 433 R CB -0.156 30.023 30.300 -0.203 0.000 1.037 433 R HN 0.304 nan 8.270 nan 0.000 0.493 434 L N -0.161 120.737 121.223 -0.541 0.000 2.966 434 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 434 L C 1.138 177.679 176.870 -0.548 0.000 1.165 434 L CA 0.212 54.458 54.840 -0.990 0.000 0.978 434 L CB 0.614 41.820 42.059 -1.422 0.000 1.337 434 L HN 0.109 nan 8.230 nan 0.000 0.563 435 L N -0.695 120.370 121.223 -0.263 0.000 2.023 435 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 435 L C 1.460 178.342 176.870 0.019 0.000 1.073 435 L CA 1.374 56.157 54.840 -0.096 0.000 0.745 435 L CB -0.661 41.345 42.059 -0.087 0.000 0.900 435 L HN 0.160 nan 8.230 nan 0.000 0.435 436 T N 0.299 114.864 114.554 0.017 0.000 2.937 436 T HA -0.062 4.288 4.350 -0.000 0.000 0.316 436 T C 0.686 175.504 174.700 0.196 0.000 1.079 436 T CA 0.088 62.233 62.100 0.075 0.000 1.131 436 T CB 0.173 69.068 68.868 0.045 0.000 1.000 436 T HN 0.467 nan 8.240 nan 0.000 0.549 437 D N 2.413 122.900 120.400 0.145 0.000 2.368 437 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 437 D C 0.549 176.880 176.300 0.050 0.000 1.112 437 D CA -0.261 53.816 54.000 0.129 0.000 0.834 437 D CB 0.211 41.040 40.800 0.049 0.000 0.953 437 D HN 0.485 nan 8.370 nan 0.000 0.505 438 D N 1.522 121.958 120.400 0.061 0.000 2.271 438 D HA -0.119 4.521 4.640 -0.000 0.000 0.207 438 D C 1.633 177.942 176.300 0.015 0.000 0.983 438 D CA 1.479 55.497 54.000 0.030 0.000 0.878 438 D CB 0.021 40.843 40.800 0.037 0.000 0.920 438 D HN 0.414 nan 8.370 nan 0.000 0.479 439 T N -2.192 112.393 114.554 0.053 0.000 3.182 439 T HA 0.280 4.630 4.350 -0.000 0.000 0.277 439 T C 0.271 174.880 174.700 -0.152 0.000 1.013 439 T CA -0.630 61.466 62.100 -0.007 0.000 0.900 439 T CB 0.144 69.084 68.868 0.121 0.000 1.098 439 T HN -0.112 nan 8.240 nan 0.000 0.543 440 L N 2.418 123.509 121.223 -0.221 0.000 2.325 440 L HA 0.701 5.041 4.340 -0.000 0.000 0.279 440 L C -0.702 175.915 176.870 -0.421 0.000 1.054 440 L CA 0.156 54.676 54.840 -0.534 0.000 0.804 440 L CB 1.543 43.270 42.059 -0.554 0.000 1.200 440 L HN 0.118 nan 8.230 nan 0.000 0.436 441 T N 4.172 118.443 114.554 -0.472 0.000 2.824 441 T HA 0.623 4.973 4.350 -0.000 0.000 0.282 441 T C -0.937 173.571 174.700 -0.319 0.000 0.993 441 T CA -0.439 61.463 62.100 -0.330 0.000 0.967 441 T CB 1.535 70.228 68.868 -0.291 0.000 0.960 441 T HN 0.347 nan 8.240 nan 0.000 0.441 442 V N 2.430 122.208 119.914 -0.226 0.000 2.349 442 V HA 0.728 4.848 4.120 -0.000 0.000 0.284 442 V C 0.017 176.038 176.094 -0.123 0.000 1.014 442 V CA -0.955 61.232 62.300 -0.189 0.000 0.826 442 V CB 1.003 32.730 31.823 -0.160 0.000 1.009 442 V HN 1.089 nan 8.190 nan 0.000 0.431 443 A N 4.846 127.600 122.820 -0.110 0.000 2.288 443 A HA 0.837 5.157 4.320 -0.000 0.000 0.320 443 A C -0.160 177.411 177.584 -0.021 0.000 1.217 443 A CA -0.596 51.406 52.037 -0.059 0.000 0.840 443 A CB 0.592 19.556 19.000 -0.059 0.000 1.179 443 A HN 1.061 nan 8.150 nan 0.000 0.504 444 N N 1.554 120.254 118.700 -0.000 0.000 2.295 444 N HA 0.468 5.208 4.740 -0.000 0.000 0.293 444 N C -1.238 174.300 175.510 0.047 0.000 1.040 444 N CA -0.796 52.270 53.050 0.027 0.000 0.840 444 N CB 1.639 40.126 38.487 -0.000 0.000 1.468 444 N HN 0.415 nan 8.380 nan 0.000 0.478 445 L N 3.523 124.799 121.223 0.088 0.000 2.255 445 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 445 L C -0.915 175.995 176.870 0.066 0.000 1.046 445 L CA -0.636 54.256 54.840 0.085 0.000 0.816 445 L CB 0.888 43.027 42.059 0.134 0.000 1.197 445 L HN 0.558 nan 8.230 nan 0.000 0.427 446 V N 8.355 128.294 119.914 0.042 0.000 2.488 446 V HA 0.331 4.451 4.120 -0.000 0.000 0.277 446 V C -1.912 174.204 176.094 0.036 0.000 1.046 446 V CA -1.211 61.108 62.300 0.032 0.000 0.986 446 V CB 1.172 33.006 31.823 0.019 0.000 0.989 446 V HN 0.701 nan 8.190 nan 0.000 0.475 447 P HA 0.431 nan 4.420 nan 0.000 0.285 447 P C -0.826 176.490 177.300 0.027 0.000 1.259 447 P CA -0.321 62.801 63.100 0.037 0.000 0.794 447 P CB 1.158 32.880 31.700 0.038 0.000 0.940 448 L N 4.308 125.548 121.223 0.028 0.000 2.365 448 L HA 0.517 4.857 4.340 -0.000 0.000 0.267 448 L C -2.113 174.771 176.870 0.023 0.000 1.033 448 L CA -2.719 52.135 54.840 0.023 0.000 0.802 448 L CB 1.010 43.084 42.059 0.024 0.000 1.267 448 L HN 0.137 nan 8.230 nan 0.000 0.457 449 P HA 0.153 nan 4.420 nan 0.000 0.269 449 P C -2.210 175.104 177.300 0.023 0.000 1.252 449 P CA -0.674 62.437 63.100 0.018 0.000 0.780 449 P CB -0.190 31.519 31.700 0.014 0.000 0.829 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.118 63.100 0.029 0.000 0.800 450 P CB 0.000 31.712 31.700 0.020 0.000 0.726