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 1e2j_1_B DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLVALGSR DDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIYTTQH RLDQGEISAG DAAVVMTSAN ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAGSXXXPPP ALTLIFDRHP IAALLCYPAA RYLMGSMTPQ AVLAFVALIP DATA SEQUENCE PTLPGTNIVL GALPEDRHID RLAKXXXXXX RLDLAMLAAI RRVYGLLANT DATA SEQUENCE VRYLQCGGSW REDWGQLSGT AVXXXXXXPQ SNAGPRPHIG DTLFTLFRAP DATA SEQUENCE ELLAPNGDLY NVFAWALDVL AKRLRSMHVF ILDYDQSPAG CRDALLQLTS DATA SEQUENCE GMVQTHVTTP GSIPTICDLA RTFAREMGE 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 46 M HA 0.000 nan 4.480 nan 0.000 0.227 46 M C 0.000 176.393 176.300 0.155 0.000 1.140 46 M CA 0.000 55.348 55.300 0.080 0.000 0.988 46 M CB 0.000 32.638 32.600 0.064 0.000 1.302 47 P HA 0.334 nan 4.420 nan 0.000 0.270 47 P C -0.279 177.083 177.300 0.104 0.000 1.223 47 P CA 0.075 63.229 63.100 0.089 0.000 0.785 47 P CB 0.227 31.959 31.700 0.054 0.000 0.923 48 T N -1.124 113.451 114.554 0.036 0.000 2.925 48 T HA 0.666 5.016 4.350 0.001 0.000 0.285 48 T C -0.630 174.060 174.700 -0.017 0.000 1.021 48 T CA -0.822 61.258 62.100 -0.035 0.000 1.042 48 T CB 1.180 69.980 68.868 -0.113 0.000 1.037 48 T HN 0.315 nan 8.240 nan 0.000 0.481 49 L N 1.768 122.980 121.223 -0.018 0.000 2.401 49 L HA 0.796 5.136 4.340 0.001 0.000 0.266 49 L C -1.727 175.145 176.870 0.003 0.000 0.991 49 L CA -1.161 53.681 54.840 0.002 0.000 0.818 49 L CB 2.025 44.104 42.059 0.034 0.000 1.321 49 L HN 0.785 nan 8.230 nan 0.000 0.413 50 L N 4.787 126.011 121.223 0.002 0.000 2.318 50 L HA 0.598 4.938 4.340 0.001 0.000 0.277 50 L C -0.788 176.100 176.870 0.031 0.000 1.008 50 L CA -0.101 54.745 54.840 0.008 0.000 0.846 50 L CB 0.775 42.821 42.059 -0.021 0.000 1.220 50 L HN 0.613 nan 8.230 nan 0.000 0.423 51 R N 4.158 124.707 120.500 0.081 0.000 2.312 51 R HA 0.746 5.087 4.340 0.001 0.000 0.311 51 R C -1.302 175.037 176.300 0.065 0.000 1.004 51 R CA -0.810 55.352 56.100 0.104 0.000 0.902 51 R CB 1.936 32.343 30.300 0.179 0.000 1.073 51 R HN 0.421 nan 8.270 nan 0.000 0.457 52 V N 4.300 124.220 119.914 0.010 0.000 2.524 52 V HA 0.260 4.380 4.120 0.001 0.000 0.297 52 V C -1.256 174.857 176.094 0.032 0.000 1.035 52 V CA -0.950 61.386 62.300 0.059 0.000 0.867 52 V CB 1.332 33.181 31.823 0.044 0.000 1.004 52 V HN 0.630 nan 8.190 nan 0.000 0.426 53 Y N 4.660 125.083 120.300 0.206 0.000 2.385 53 Y HA 0.518 5.069 4.550 0.000 0.000 0.341 53 Y C 0.326 176.332 175.900 0.176 0.000 0.965 53 Y CA -0.989 57.222 58.100 0.186 0.000 1.180 53 Y CB 1.076 39.583 38.460 0.079 0.000 1.139 53 Y HN 0.386 nan 8.280 nan 0.000 0.502 54 I N 4.344 125.093 120.570 0.298 0.000 2.337 54 I HA 0.165 4.336 4.170 0.001 0.000 0.291 54 I C 0.156 176.406 176.117 0.222 0.000 1.046 54 I CA -0.042 61.402 61.300 0.239 0.000 1.324 54 I CB 0.304 38.432 38.000 0.212 0.000 1.409 54 I HN 0.691 nan 8.210 nan 0.000 0.494 55 D N 3.457 123.967 120.400 0.182 0.000 2.714 55 D HA 0.792 5.432 4.640 0.001 0.000 0.278 55 D C -0.175 176.085 176.300 -0.067 0.000 1.102 55 D CA 0.045 54.117 54.000 0.121 0.000 1.108 55 D CB 3.143 44.065 40.800 0.204 0.000 1.444 55 D HN 0.675 nan 8.370 nan 0.000 0.568 56 G N 0.204 108.751 108.800 -0.422 0.000 2.354 56 G HA2 0.046 4.007 3.960 0.001 0.000 0.582 56 G HA3 0.046 4.007 3.960 0.001 0.000 0.582 56 G C -3.017 171.409 174.900 -0.789 0.000 1.316 56 G CA -1.012 43.477 45.100 -1.018 0.000 0.995 56 G HN 0.349 nan 8.290 nan 0.000 0.573 57 P HA 0.177 nan 4.420 nan 0.000 0.267 57 P C 0.264 177.560 177.300 -0.007 0.000 1.200 57 P CA 0.002 63.018 63.100 -0.140 0.000 0.772 57 P CB 0.078 31.775 31.700 -0.006 0.000 0.855 58 H N 0.757 119.967 119.070 0.234 0.000 2.757 58 H HA 0.246 4.802 4.556 -0.000 0.000 0.370 58 H C 1.183 176.642 175.328 0.219 0.000 1.172 58 H CA 0.074 56.244 56.048 0.204 0.000 1.426 58 H CB -0.416 29.498 29.762 0.254 0.000 1.438 58 H HN 0.791 nan 8.280 nan 0.000 0.612 59 G N 1.407 110.316 108.800 0.182 0.000 2.136 59 G HA2 -0.267 3.694 3.960 0.001 0.000 0.242 59 G HA3 -0.267 3.694 3.960 0.001 0.000 0.242 59 G C 0.691 175.529 174.900 -0.103 0.000 0.989 59 G CA 0.473 45.646 45.100 0.121 0.000 0.682 59 G HN 0.609 nan 8.290 nan 0.000 0.522 60 M N -0.420 118.981 119.600 -0.331 0.000 2.414 60 M HA 0.358 4.839 4.480 0.001 0.000 0.251 60 M C 1.806 177.781 176.300 -0.541 0.000 1.116 60 M CA 1.194 56.119 55.300 -0.625 0.000 1.056 60 M CB 0.670 32.717 32.600 -0.922 0.000 1.388 60 M HN 1.182 nan 8.290 nan 0.000 0.487 61 G N 1.140 109.739 108.800 -0.334 0.000 2.141 61 G HA2 -0.189 3.771 3.960 0.001 0.000 0.164 61 G HA3 -0.189 3.771 3.960 0.001 0.000 0.164 61 G C 0.639 175.509 174.900 -0.050 0.000 1.009 61 G CA 0.070 45.094 45.100 -0.127 0.000 0.677 61 G HN 0.380 nan 8.290 nan 0.000 0.508 62 K N -0.260 120.046 120.400 -0.158 0.000 2.032 62 K HA -0.071 4.249 4.320 0.001 0.000 0.209 62 K C 2.577 179.243 176.600 0.110 0.000 1.048 62 K CA 1.908 58.223 56.287 0.046 0.000 0.927 62 K CB -0.293 32.224 32.500 0.028 0.000 0.712 62 K HN 0.337 nan 8.250 nan 0.000 0.441 63 T N 0.838 115.449 114.554 0.095 0.000 2.643 63 T HA -0.133 4.217 4.350 0.001 0.000 0.264 63 T C 1.989 176.716 174.700 0.045 0.000 1.045 63 T CA 1.912 64.079 62.100 0.111 0.000 1.155 63 T CB -0.490 68.463 68.868 0.142 0.000 0.863 63 T HN 0.282 nan 8.240 nan 0.000 0.420 64 T N 2.140 116.722 114.554 0.048 0.000 2.597 64 T HA -0.181 4.170 4.350 0.001 0.000 0.267 64 T C 2.255 176.957 174.700 0.004 0.000 1.053 64 T CA 2.004 64.120 62.100 0.027 0.000 1.165 64 T CB -1.032 67.859 68.868 0.039 0.000 0.863 64 T HN 0.425 nan 8.240 nan 0.000 0.427 65 T N 1.865 116.447 114.554 0.046 0.000 2.635 65 T HA -0.165 4.185 4.350 0.001 0.000 0.267 65 T C 2.288 176.958 174.700 -0.050 0.000 1.040 65 T CA 1.897 64.016 62.100 0.031 0.000 1.156 65 T CB -1.003 67.952 68.868 0.145 0.000 0.863 65 T HN 0.414 nan 8.240 nan 0.000 0.430 66 T N 2.403 116.910 114.554 -0.078 0.000 2.699 66 T HA -0.160 4.190 4.350 0.001 0.000 0.268 66 T C 2.171 176.648 174.700 -0.371 0.000 1.036 66 T CA 1.308 63.271 62.100 -0.227 0.000 1.147 66 T CB -0.341 68.340 68.868 -0.311 0.000 0.862 66 T HN 0.507 nan 8.240 nan 0.000 0.446 67 Q N 0.270 119.859 119.800 -0.353 0.000 2.167 67 Q HA 0.057 4.398 4.340 0.001 0.000 0.202 67 Q C 2.470 178.371 176.000 -0.164 0.000 0.970 67 Q CA 0.860 56.484 55.803 -0.299 0.000 0.855 67 Q CB -0.374 28.261 28.738 -0.172 0.000 0.911 67 Q HN 0.493 nan 8.270 nan 0.000 0.438 68 L N 0.534 121.687 121.223 -0.115 0.000 2.046 68 L HA -0.196 4.145 4.340 0.001 0.000 0.208 68 L C 2.391 179.207 176.870 -0.089 0.000 1.077 68 L CA 0.583 55.376 54.840 -0.078 0.000 0.747 68 L CB -0.469 41.558 42.059 -0.053 0.000 0.896 68 L HN 0.293 nan 8.230 nan 0.000 0.432 69 L N -0.178 120.979 121.223 -0.112 0.000 2.017 69 L HA -0.176 4.164 4.340 0.001 0.000 0.208 69 L C 2.513 179.319 176.870 -0.108 0.000 1.073 69 L CA 1.849 56.625 54.840 -0.107 0.000 0.745 69 L CB -0.537 41.452 42.059 -0.117 0.000 0.894 69 L HN 0.062 nan 8.230 nan 0.000 0.432 70 V N 0.342 120.170 119.914 -0.143 0.000 2.427 70 V HA -0.224 3.896 4.120 0.001 0.000 0.248 70 V C 2.944 178.994 176.094 -0.073 0.000 1.051 70 V CA 1.324 63.557 62.300 -0.112 0.000 1.048 70 V CB -1.106 30.633 31.823 -0.139 0.000 0.666 70 V HN 0.554 nan 8.190 nan 0.000 0.456 71 A N 0.097 122.874 122.820 -0.072 0.000 1.917 71 A HA -0.205 4.115 4.320 0.001 0.000 0.219 71 A C 2.199 179.759 177.584 -0.041 0.000 1.182 71 A CA 1.970 53.979 52.037 -0.048 0.000 0.633 71 A CB -0.582 18.391 19.000 -0.045 0.000 0.819 71 A HN 0.518 nan 8.150 nan 0.000 0.448 72 L N -0.573 120.622 121.223 -0.047 0.000 2.141 72 L HA -0.024 4.317 4.340 0.001 0.000 0.209 72 L C 1.798 178.645 176.870 -0.038 0.000 1.094 72 L CA 0.282 55.098 54.840 -0.041 0.000 0.763 72 L CB -0.967 41.065 42.059 -0.045 0.000 0.908 72 L HN 0.476 nan 8.230 nan 0.000 0.437 73 G N -0.596 108.179 108.800 -0.042 0.000 2.539 73 G HA2 0.187 4.147 3.960 0.001 0.000 0.258 73 G HA3 0.187 4.147 3.960 0.001 0.000 0.258 73 G C -0.062 174.820 174.900 -0.031 0.000 1.202 73 G CA -0.289 44.788 45.100 -0.038 0.000 0.851 73 G HN 0.064 nan 8.290 nan 0.000 0.556 74 S N -0.319 115.364 115.700 -0.027 0.000 2.559 74 S HA -0.003 4.467 4.470 0.001 0.000 0.282 74 S C 2.009 176.596 174.600 -0.022 0.000 1.336 74 S CA -0.087 58.099 58.200 -0.022 0.000 1.037 74 S CB 0.417 63.604 63.200 -0.021 0.000 0.853 74 S HN 0.567 nan 8.310 nan 0.000 0.523 75 R N 2.293 122.782 120.500 -0.018 0.000 2.112 75 R HA -0.155 4.186 4.340 0.001 0.000 0.242 75 R C 1.567 177.856 176.300 -0.019 0.000 1.137 75 R CA 2.480 58.570 56.100 -0.016 0.000 0.944 75 R CB -0.622 29.671 30.300 -0.013 0.000 0.857 75 R HN 0.909 nan 8.270 nan 0.000 0.435 76 D N -0.834 119.554 120.400 -0.019 0.000 2.349 76 D HA -0.041 4.600 4.640 0.001 0.000 0.214 76 D C 0.009 176.293 176.300 -0.027 0.000 1.063 76 D CA 0.372 54.358 54.000 -0.022 0.000 0.847 76 D CB 0.122 40.911 40.800 -0.019 0.000 0.933 76 D HN 0.405 nan 8.370 nan 0.000 0.513 77 D N 0.519 120.902 120.400 -0.028 0.000 2.368 77 D HA 0.131 4.772 4.640 0.001 0.000 0.218 77 D C 0.232 176.509 176.300 -0.039 0.000 1.112 77 D CA -0.494 53.487 54.000 -0.031 0.000 0.834 77 D CB 0.208 40.992 40.800 -0.026 0.000 0.953 77 D HN 0.398 nan 8.370 nan 0.000 0.505 78 I N 0.351 120.896 120.570 -0.042 0.000 2.651 78 I HA 0.307 4.478 4.170 0.001 0.000 0.287 78 I C -1.882 174.207 176.117 -0.046 0.000 1.244 78 I CA -0.818 60.452 61.300 -0.049 0.000 1.061 78 I CB 1.586 39.556 38.000 -0.050 0.000 1.286 78 I HN -0.264 nan 8.210 nan 0.000 0.434 79 V N 7.001 126.876 119.914 -0.065 0.000 2.715 79 V HA 0.435 4.555 4.120 0.001 0.000 0.310 79 V C -1.160 174.906 176.094 -0.047 0.000 1.054 79 V CA -0.710 61.554 62.300 -0.060 0.000 0.928 79 V CB 1.975 33.739 31.823 -0.099 0.000 1.007 79 V HN 0.589 nan 8.190 nan 0.000 0.437 80 Y N 3.046 123.241 120.300 -0.176 0.000 2.334 80 Y HA 0.624 5.174 4.550 -0.000 0.000 0.336 80 Y C -0.397 175.364 175.900 -0.232 0.000 0.960 80 Y CA -1.342 56.642 58.100 -0.194 0.000 1.164 80 Y CB 1.655 40.051 38.460 -0.107 0.000 1.155 80 Y HN 0.360 nan 8.280 nan 0.000 0.478 81 V N 10.111 129.664 119.914 -0.602 0.000 2.339 81 V HA 0.290 4.410 4.120 0.001 0.000 0.261 81 V C -1.959 173.601 176.094 -0.890 0.000 1.058 81 V CA -1.476 60.347 62.300 -0.796 0.000 0.897 81 V CB 0.170 31.413 31.823 -0.966 0.000 1.052 81 V HN 0.662 nan 8.190 nan 0.000 0.480 82 P HA 0.174 nan 4.420 nan 0.000 0.279 82 P C -0.185 177.040 177.300 -0.124 0.000 1.282 82 P CA -0.621 62.047 63.100 -0.720 0.000 0.788 82 P CB 0.968 32.343 31.700 -0.542 0.000 1.139 83 E N 1.222 121.408 120.200 -0.024 0.000 2.415 83 E HA 0.030 4.380 4.350 0.001 0.000 0.263 83 E C -1.643 174.845 176.600 -0.187 0.000 0.995 83 E CA -1.577 54.819 56.400 -0.007 0.000 0.915 83 E CB 0.076 29.801 29.700 0.042 0.000 0.951 83 E HN 0.230 nan 8.360 nan 0.000 0.449 84 P HA 0.025 nan 4.420 nan 0.000 0.212 84 P C 0.331 177.095 177.300 -0.894 0.000 1.816 84 P CA -0.125 62.630 63.100 -0.575 0.000 0.944 84 P CB 0.165 31.523 31.700 -0.570 0.000 1.896 85 M N 1.687 120.921 119.600 -0.610 0.000 2.082 85 M HA -0.153 4.327 4.480 0.001 0.000 0.258 85 M C 1.542 177.741 176.300 -0.169 0.000 1.069 85 M CA 2.303 57.406 55.300 -0.329 0.000 1.102 85 M CB -1.653 30.892 32.600 -0.090 0.000 1.336 85 M HN -0.056 nan 8.290 nan 0.000 0.404 86 T N -0.758 113.701 114.554 -0.159 0.000 2.803 86 T HA -0.198 4.152 4.350 0.001 0.000 0.269 86 T C 1.529 176.174 174.700 -0.091 0.000 1.052 86 T CA 1.729 63.770 62.100 -0.099 0.000 1.136 86 T CB -0.633 68.176 68.868 -0.099 0.000 0.864 86 T HN 0.577 nan 8.240 nan 0.000 0.467 87 Y N 0.187 120.325 120.300 -0.271 0.000 2.263 87 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 87 Y C 1.909 177.800 175.900 -0.015 0.000 1.130 87 Y CA 0.985 58.966 58.100 -0.198 0.000 1.179 87 Y CB -0.158 38.122 38.460 -0.300 0.000 0.998 87 Y HN 0.202 nan 8.280 nan 0.000 0.532 88 W N 0.524 121.855 121.300 0.052 0.000 2.436 88 W HA -0.015 4.644 4.660 -0.001 0.000 0.284 88 W C 2.151 178.628 176.519 -0.069 0.000 1.225 88 W CA 0.964 58.306 57.345 -0.006 0.000 1.271 88 W CB -0.803 28.670 29.460 0.021 0.000 1.114 88 W HN 0.139 nan 8.180 nan 0.000 0.559 89 R N -1.022 119.560 120.500 0.137 0.000 2.189 89 R HA 0.080 4.420 4.340 0.001 0.000 0.203 89 R C 1.618 177.906 176.300 -0.019 0.000 1.012 89 R CA 0.889 57.023 56.100 0.057 0.000 1.015 89 R CB 0.057 30.388 30.300 0.052 0.000 0.938 89 R HN 0.036 nan 8.270 nan 0.000 0.472 90 V N -0.234 119.636 119.914 -0.074 0.000 3.658 90 V HA 0.000 4.121 4.120 0.001 0.000 0.197 90 V C 1.918 177.904 176.094 -0.180 0.000 1.295 90 V CA 0.044 62.282 62.300 -0.102 0.000 1.298 90 V CB -0.457 31.321 31.823 -0.076 0.000 1.347 90 V HN 0.024 nan 8.190 nan 0.000 0.548 91 L N 1.416 122.494 121.223 -0.242 0.000 1.971 91 L HA -0.117 4.223 4.340 0.001 0.000 0.215 91 L C 2.521 179.083 176.870 -0.513 0.000 1.072 91 L CA 2.415 57.068 54.840 -0.312 0.000 0.758 91 L CB -1.180 40.742 42.059 -0.229 0.000 0.889 91 L HN 0.550 nan 8.230 nan 0.000 0.433 92 G N -1.284 106.864 108.800 -1.086 0.000 2.464 92 G HA2 0.356 4.317 3.960 0.001 0.000 0.217 92 G HA3 0.356 4.317 3.960 0.001 0.000 0.217 92 G C 0.395 175.078 174.900 -0.362 0.000 1.138 92 G CA 0.702 45.220 45.100 -0.970 0.000 0.793 92 G HN 0.561 nan 8.290 nan 0.000 0.539 93 A N -1.403 121.255 122.820 -0.269 0.000 2.490 93 A HA 0.615 4.936 4.320 0.001 0.000 0.292 93 A C -0.724 176.810 177.584 -0.084 0.000 1.047 93 A CA 0.036 52.000 52.037 -0.121 0.000 0.632 93 A CB 0.093 19.052 19.000 -0.067 0.000 1.323 93 A HN 0.577 nan 8.150 nan 0.000 0.448 94 S N 1.008 116.680 115.700 -0.047 0.000 2.475 94 S HA 0.466 4.936 4.470 0.001 0.000 0.281 94 S C -0.197 174.399 174.600 -0.007 0.000 1.198 94 S CA 0.050 58.233 58.200 -0.028 0.000 1.063 94 S CB -0.135 63.052 63.200 -0.022 0.000 0.972 94 S HN 0.755 nan 8.310 nan 0.000 0.486 95 E N 3.390 123.595 120.200 0.007 0.000 2.216 95 E HA -0.158 4.192 4.350 0.001 0.000 0.162 95 E C 0.739 177.356 176.600 0.028 0.000 1.642 95 E CA 0.855 57.271 56.400 0.028 0.000 0.599 95 E CB -1.959 27.753 29.700 0.019 0.000 1.045 95 E HN 0.763 nan 8.360 nan 0.000 0.308 96 T N 0.482 115.059 114.554 0.039 0.000 2.857 96 T HA -0.029 4.321 4.350 0.001 0.000 0.266 96 T C 2.051 176.737 174.700 -0.023 0.000 1.048 96 T CA 1.025 63.124 62.100 -0.002 0.000 1.139 96 T CB 0.065 68.922 68.868 -0.018 0.000 0.874 96 T HN 0.370 nan 8.240 nan 0.000 0.455 97 I N 1.453 122.029 120.570 0.010 0.000 2.286 97 I HA -0.189 3.981 4.170 0.001 0.000 0.248 97 I C 2.899 179.102 176.117 0.145 0.000 1.115 97 I CA 1.047 62.376 61.300 0.048 0.000 1.392 97 I CB -0.436 37.606 38.000 0.071 0.000 1.065 97 I HN 0.204 nan 8.210 nan 0.000 0.418 98 A N 0.876 123.748 122.820 0.088 0.000 1.877 98 A HA -0.265 4.055 4.320 0.001 0.000 0.216 98 A C 2.088 179.722 177.584 0.084 0.000 1.186 98 A CA 2.225 54.313 52.037 0.084 0.000 0.620 98 A CB -0.804 18.219 19.000 0.038 0.000 0.822 98 A HN 0.448 nan 8.150 nan 0.000 0.443 99 N N 0.211 118.937 118.700 0.043 0.000 2.149 99 N HA -0.119 4.622 4.740 0.001 0.000 0.188 99 N C 1.469 176.983 175.510 0.007 0.000 1.019 99 N CA 1.727 54.790 53.050 0.022 0.000 0.857 99 N CB -0.412 38.077 38.487 0.004 0.000 0.997 99 N HN 0.550 nan 8.380 nan 0.000 0.426 100 I N -0.574 119.983 120.570 -0.022 0.000 2.090 100 I HA -0.333 3.838 4.170 0.001 0.000 0.236 100 I C 1.597 177.633 176.117 -0.135 0.000 1.064 100 I CA 1.308 62.534 61.300 -0.123 0.000 1.324 100 I CB -0.452 37.410 38.000 -0.230 0.000 1.044 100 I HN 0.158 nan 8.210 nan 0.000 0.399 101 Y N 0.767 121.051 120.300 -0.027 0.000 2.207 101 Y HA -0.262 4.291 4.550 0.003 0.000 0.287 101 Y C 2.859 178.776 175.900 0.028 0.000 1.156 101 Y CA 1.841 59.939 58.100 -0.003 0.000 1.182 101 Y CB -1.029 37.417 38.460 -0.023 0.000 0.979 101 Y HN 0.160 nan 8.280 nan 0.000 0.521 102 T N -1.032 113.610 114.554 0.147 0.000 2.708 102 T HA -0.174 4.176 4.350 0.001 0.000 0.266 102 T C 1.899 176.671 174.700 0.119 0.000 1.037 102 T CA 1.996 64.166 62.100 0.117 0.000 1.146 102 T CB -0.552 68.359 68.868 0.072 0.000 0.865 102 T HN 0.377 nan 8.240 nan 0.000 0.435 103 T N 1.662 116.252 114.554 0.060 0.000 2.746 103 T HA -0.142 4.208 4.350 0.001 0.000 0.267 103 T C 2.088 176.805 174.700 0.028 0.000 1.039 103 T CA 1.361 63.481 62.100 0.033 0.000 1.142 103 T CB -0.316 68.553 68.868 0.002 0.000 0.866 103 T HN 0.267 nan 8.240 nan 0.000 0.444 104 Q N 0.624 120.433 119.800 0.015 0.000 2.084 104 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 104 Q C 2.068 178.102 176.000 0.057 0.000 0.978 104 Q CA 1.591 57.398 55.803 0.006 0.000 0.844 104 Q CB -0.499 28.216 28.738 -0.039 0.000 0.898 104 Q HN 0.714 nan 8.270 nan 0.000 0.426 105 H N -0.119 118.963 119.070 0.021 0.000 2.321 105 H HA -0.063 4.494 4.556 0.002 0.000 0.300 105 H C 1.777 177.114 175.328 0.015 0.000 1.087 105 H CA 1.542 57.608 56.048 0.029 0.000 1.319 105 H CB 0.295 30.087 29.762 0.049 0.000 1.379 105 H HN 0.177 nan 8.280 nan 0.000 0.501 106 R N 0.297 120.820 120.500 0.039 0.000 2.080 106 R HA -0.143 4.198 4.340 0.001 0.000 0.236 106 R C 2.619 178.877 176.300 -0.071 0.000 1.137 106 R CA 1.125 57.210 56.100 -0.024 0.000 0.943 106 R CB -0.937 29.386 30.300 0.039 0.000 0.846 106 R HN 0.300 nan 8.270 nan 0.000 0.431 107 L N 2.054 123.252 121.223 -0.042 0.000 1.990 107 L HA -0.214 4.126 4.340 0.001 0.000 0.213 107 L C 1.533 178.361 176.870 -0.071 0.000 1.072 107 L CA 2.021 56.834 54.840 -0.045 0.000 0.755 107 L CB -0.715 41.325 42.059 -0.032 0.000 0.889 107 L HN 0.075 nan 8.230 nan 0.000 0.432 108 D N -0.758 119.586 120.400 -0.092 0.000 2.133 108 D HA -0.198 4.442 4.640 0.001 0.000 0.195 108 D C 2.147 178.368 176.300 -0.132 0.000 0.997 108 D CA 1.199 55.137 54.000 -0.105 0.000 0.840 108 D CB -0.190 40.547 40.800 -0.106 0.000 0.947 108 D HN 0.480 nan 8.370 nan 0.000 0.452 109 Q N -0.541 119.140 119.800 -0.199 0.000 2.436 109 Q HA 0.053 4.393 4.340 0.001 0.000 0.209 109 Q C 1.380 177.323 176.000 -0.095 0.000 0.965 109 Q CA 0.934 56.634 55.803 -0.172 0.000 0.910 109 Q CB 0.167 28.763 28.738 -0.237 0.000 0.980 109 Q HN 0.419 nan 8.270 nan 0.000 0.491 110 G N 1.116 109.870 108.800 -0.077 0.000 2.137 110 G HA2 -0.298 3.662 3.960 0.001 0.000 0.237 110 G HA3 -0.298 3.662 3.960 0.001 0.000 0.237 110 G C 0.593 175.471 174.900 -0.037 0.000 1.002 110 G CA 0.570 45.641 45.100 -0.048 0.000 0.702 110 G HN 0.448 nan 8.290 nan 0.000 0.515 111 E N -0.609 119.567 120.200 -0.039 0.000 2.299 111 E HA 0.237 4.587 4.350 0.001 0.000 0.193 111 E C 1.501 178.094 176.600 -0.012 0.000 0.998 111 E CA 1.075 57.462 56.400 -0.022 0.000 0.851 111 E CB 0.221 29.911 29.700 -0.017 0.000 0.795 111 E HN 0.902 nan 8.360 nan 0.000 0.492 112 I N -2.842 117.719 120.570 -0.014 0.000 3.174 112 I HA 0.409 4.579 4.170 0.001 0.000 0.313 112 I C -0.097 176.014 176.117 -0.010 0.000 1.155 112 I CA -1.281 60.015 61.300 -0.007 0.000 0.977 112 I CB 2.043 40.042 38.000 -0.002 0.000 1.248 112 I HN -0.235 nan 8.210 nan 0.000 0.453 113 S N 1.898 117.595 115.700 -0.006 0.000 2.681 113 S HA 0.649 5.119 4.470 0.001 0.000 0.270 113 S C 1.099 175.696 174.600 -0.005 0.000 1.209 113 S CA -0.118 58.078 58.200 -0.006 0.000 0.988 113 S CB 1.569 64.768 63.200 -0.002 0.000 1.006 113 S HN 1.009 nan 8.310 nan 0.000 0.558 114 A N 1.035 123.852 122.820 -0.005 0.000 1.902 114 A HA 0.139 4.459 4.320 0.001 0.000 0.217 114 A C 2.160 179.749 177.584 0.009 0.000 1.181 114 A CA 1.724 53.759 52.037 -0.003 0.000 0.623 114 A CB -1.841 17.157 19.000 -0.004 0.000 0.818 114 A HN 1.123 nan 8.150 nan 0.000 0.443 115 G N -0.124 108.682 108.800 0.011 0.000 2.418 115 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 115 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 115 G C 1.152 176.062 174.900 0.016 0.000 1.158 115 G CA 1.181 46.291 45.100 0.016 0.000 0.771 115 G HN 0.476 nan 8.290 nan 0.000 0.545 116 D N 1.145 121.552 120.400 0.011 0.000 2.117 116 D HA -0.067 4.574 4.640 0.001 0.000 0.197 116 D C 2.835 179.143 176.300 0.013 0.000 0.987 116 D CA 1.287 55.294 54.000 0.011 0.000 0.829 116 D CB -0.456 40.349 40.800 0.007 0.000 0.961 116 D HN 0.315 nan 8.370 nan 0.000 0.460 117 A N 1.257 124.083 122.820 0.009 0.000 1.902 117 A HA -0.042 4.279 4.320 0.001 0.000 0.217 117 A C 2.355 179.950 177.584 0.017 0.000 1.181 117 A CA 2.230 54.271 52.037 0.007 0.000 0.623 117 A CB -0.710 18.289 19.000 -0.001 0.000 0.818 117 A HN 0.239 nan 8.150 nan 0.000 0.443 118 A N -0.514 122.322 122.820 0.027 0.000 1.902 118 A HA -0.004 4.317 4.320 0.001 0.000 0.217 118 A C 2.236 179.852 177.584 0.054 0.000 1.181 118 A CA 1.822 53.888 52.037 0.048 0.000 0.623 118 A CB -0.945 18.088 19.000 0.054 0.000 0.818 118 A HN 0.389 nan 8.150 nan 0.000 0.443 119 V N -0.333 119.605 119.914 0.041 0.000 2.261 119 V HA -0.250 3.870 4.120 0.001 0.000 0.246 119 V C 2.584 178.704 176.094 0.043 0.000 1.047 119 V CA 2.078 64.403 62.300 0.041 0.000 1.015 119 V CB -0.952 30.888 31.823 0.029 0.000 0.642 119 V HN 0.376 nan 8.190 nan 0.000 0.446 120 V N -0.646 119.286 119.914 0.030 0.000 2.287 120 V HA -0.315 3.805 4.120 0.001 0.000 0.248 120 V C 2.528 178.633 176.094 0.020 0.000 1.053 120 V CA 2.063 64.376 62.300 0.021 0.000 1.027 120 V CB -0.662 31.167 31.823 0.010 0.000 0.646 120 V HN 0.401 nan 8.190 nan 0.000 0.447 121 M N -0.234 119.379 119.600 0.021 0.000 2.117 121 M HA -0.127 4.353 4.480 0.001 0.000 0.262 121 M C 2.276 178.611 176.300 0.057 0.000 1.065 121 M CA 1.940 57.248 55.300 0.013 0.000 1.114 121 M CB -1.768 30.841 32.600 0.015 0.000 1.361 121 M HN 0.416 nan 8.290 nan 0.000 0.408 122 T N -0.151 114.474 114.554 0.119 0.000 2.746 122 T HA -0.112 4.238 4.350 0.001 0.000 0.267 122 T C 2.120 176.954 174.700 0.224 0.000 1.039 122 T CA 1.897 64.141 62.100 0.240 0.000 1.142 122 T CB -0.265 68.722 68.868 0.197 0.000 0.866 122 T HN 0.400 nan 8.240 nan 0.000 0.444 123 S N 0.809 116.583 115.700 0.123 0.000 2.368 123 S HA -0.024 4.446 4.470 0.001 0.000 0.224 123 S C 2.392 177.033 174.600 0.068 0.000 1.029 123 S CA 1.223 59.480 58.200 0.095 0.000 0.988 123 S CB -0.505 62.730 63.200 0.058 0.000 0.838 123 S HN 0.507 nan 8.310 nan 0.000 0.462 124 A N 1.324 124.159 122.820 0.025 0.000 1.933 124 A HA -0.087 4.233 4.320 0.001 0.000 0.218 124 A C 1.919 179.465 177.584 -0.064 0.000 1.175 124 A CA 1.915 53.937 52.037 -0.026 0.000 0.628 124 A CB -1.113 17.850 19.000 -0.062 0.000 0.814 124 A HN 0.675 nan 8.150 nan 0.000 0.444 125 N N -0.257 118.400 118.700 -0.072 0.000 2.289 125 N HA -0.098 4.642 4.740 0.001 0.000 0.184 125 N C 1.416 176.854 175.510 -0.120 0.000 1.016 125 N CA 1.085 54.022 53.050 -0.189 0.000 0.872 125 N CB -0.167 38.105 38.487 -0.359 0.000 0.973 125 N HN 0.376 nan 8.380 nan 0.000 0.433 126 I N 0.165 120.770 120.570 0.057 0.000 2.252 126 I HA -0.187 3.983 4.170 0.001 0.000 0.245 126 I C 1.661 177.844 176.117 0.110 0.000 1.102 126 I CA 1.199 62.584 61.300 0.141 0.000 1.385 126 I CB -1.297 36.812 38.000 0.182 0.000 1.064 126 I HN 0.245 nan 8.210 nan 0.000 0.414 127 T N 0.974 115.589 114.554 0.102 0.000 2.737 127 T HA -0.115 4.235 4.350 0.001 0.000 0.265 127 T C 1.988 176.819 174.700 0.218 0.000 1.038 127 T CA 1.040 63.262 62.100 0.204 0.000 1.144 127 T CB -0.074 68.874 68.868 0.134 0.000 0.866 127 T HN 0.117 nan 8.240 nan 0.000 0.434 128 M N 1.187 120.764 119.600 -0.039 0.000 2.149 128 M HA 0.004 4.485 4.480 0.001 0.000 0.261 128 M C 2.634 178.919 176.300 -0.025 0.000 1.064 128 M CA 1.506 56.658 55.300 -0.246 0.000 1.102 128 M CB -1.555 30.726 32.600 -0.533 0.000 1.369 128 M HN 0.403 nan 8.290 nan 0.000 0.408 129 G N -0.979 107.797 108.800 -0.039 0.000 2.777 129 G HA2 -0.052 3.908 3.960 0.001 0.000 0.211 129 G HA3 -0.052 3.908 3.960 0.001 0.000 0.211 129 G C 1.525 176.391 174.900 -0.055 0.000 1.149 129 G CA -0.025 45.064 45.100 -0.018 0.000 0.785 129 G HN 0.191 nan 8.290 nan 0.000 0.536 130 M N 1.708 121.275 119.600 -0.055 0.000 2.151 130 M HA -0.082 4.398 4.480 0.001 0.000 0.256 130 M C -0.469 175.697 176.300 -0.223 0.000 1.072 130 M CA 1.727 56.955 55.300 -0.120 0.000 1.090 130 M CB -1.426 31.082 32.600 -0.153 0.000 1.294 130 M HN 0.056 nan 8.290 nan 0.000 0.415 131 P HA -0.141 nan 4.420 nan 0.000 0.216 131 P C 1.141 178.510 177.300 0.116 0.000 1.150 131 P CA 1.424 64.371 63.100 -0.256 0.000 0.837 131 P CB -0.455 30.998 31.700 -0.411 0.000 0.786 132 Y N 0.063 120.453 120.300 0.149 0.000 2.200 132 Y HA -0.016 4.534 4.550 -0.000 0.000 0.290 132 Y C 2.641 178.575 175.900 0.056 0.000 1.137 132 Y CA 0.474 58.648 58.100 0.122 0.000 1.163 132 Y CB -1.912 36.603 38.460 0.091 0.000 0.988 132 Y HN -0.088 nan 8.280 nan 0.000 0.518 133 A N -0.460 122.465 122.820 0.176 0.000 1.898 133 A HA -0.098 4.222 4.320 0.001 0.000 0.216 133 A C 2.525 180.161 177.584 0.087 0.000 1.181 133 A CA 1.598 53.696 52.037 0.103 0.000 0.620 133 A CB -1.238 17.814 19.000 0.087 0.000 0.819 133 A HN 0.273 nan 8.150 nan 0.000 0.442 134 V N -0.204 119.753 119.914 0.072 0.000 2.343 134 V HA -0.203 3.918 4.120 0.001 0.000 0.247 134 V C 2.664 178.828 176.094 0.117 0.000 1.051 134 V CA 2.837 65.177 62.300 0.068 0.000 1.036 134 V CB -0.780 31.054 31.823 0.019 0.000 0.654 134 V HN 0.637 nan 8.190 nan 0.000 0.451 135 T N -0.476 114.187 114.554 0.182 0.000 2.746 135 T HA -0.221 4.129 4.350 0.001 0.000 0.267 135 T C 1.788 176.600 174.700 0.186 0.000 1.039 135 T CA 1.732 63.966 62.100 0.223 0.000 1.142 135 T CB -0.433 68.610 68.868 0.293 0.000 0.866 135 T HN 0.659 nan 8.240 nan 0.000 0.444 136 D N 1.042 121.528 120.400 0.144 0.000 2.117 136 D HA -0.097 4.543 4.640 0.001 0.000 0.197 136 D C 2.321 178.679 176.300 0.096 0.000 0.987 136 D CA 1.261 55.318 54.000 0.095 0.000 0.829 136 D CB -0.049 40.754 40.800 0.005 0.000 0.961 136 D HN 0.386 nan 8.370 nan 0.000 0.460 137 A N 0.680 123.551 122.820 0.086 0.000 1.969 137 A HA -0.112 4.208 4.320 0.001 0.000 0.218 137 A C 2.462 180.100 177.584 0.089 0.000 1.169 137 A CA 1.876 53.958 52.037 0.075 0.000 0.635 137 A CB -0.597 18.440 19.000 0.062 0.000 0.810 137 A HN 0.319 nan 8.150 nan 0.000 0.445 138 V N -3.273 116.709 119.914 0.113 0.000 3.052 138 V HA 0.054 4.174 4.120 0.001 0.000 0.254 138 V C 2.057 178.267 176.094 0.193 0.000 1.100 138 V CA 1.409 63.787 62.300 0.130 0.000 1.112 138 V CB -0.380 31.517 31.823 0.124 0.000 0.738 138 V HN 0.267 nan 8.190 nan 0.000 0.469 139 L N 1.436 122.776 121.223 0.195 0.000 2.162 139 L HA 0.385 4.725 4.340 0.001 0.000 0.205 139 L C 2.667 179.682 176.870 0.242 0.000 1.086 139 L CA 1.931 56.918 54.840 0.245 0.000 0.778 139 L CB -0.998 41.198 42.059 0.229 0.000 0.928 139 L HN 0.292 nan 8.230 nan 0.000 0.446 140 A N 0.745 123.663 122.820 0.163 0.000 1.894 140 A HA -0.246 4.074 4.320 0.001 0.000 0.220 140 A C 0.125 177.766 177.584 0.095 0.000 1.237 140 A CA 2.581 54.690 52.037 0.120 0.000 0.660 140 A CB -2.347 16.701 19.000 0.080 0.000 0.835 140 A HN 0.426 nan 8.150 nan 0.000 0.461 141 P HA -0.196 nan 4.420 nan 0.000 0.218 141 P C 0.994 178.233 177.300 -0.102 0.000 1.150 141 P CA 1.708 64.769 63.100 -0.064 0.000 0.841 141 P CB -0.351 31.255 31.700 -0.156 0.000 0.784 142 H N -1.951 117.157 119.070 0.063 0.000 2.548 142 H HA 0.058 4.615 4.556 0.001 0.000 0.268 142 H C 0.827 176.200 175.328 0.076 0.000 0.975 142 H CA 0.305 56.391 56.048 0.064 0.000 1.195 142 H CB 0.011 29.812 29.762 0.064 0.000 1.397 142 H HN 0.123 nan 8.280 nan 0.000 0.572 143 I N 1.678 122.359 120.570 0.185 0.000 2.416 143 I HA 0.119 4.290 4.170 0.001 0.000 0.288 143 I C 1.326 177.517 176.117 0.124 0.000 1.051 143 I CA 0.171 61.563 61.300 0.154 0.000 1.375 143 I CB 0.947 39.036 38.000 0.148 0.000 1.407 143 I HN 0.059 nan 8.210 nan 0.000 0.516 144 G N 4.435 113.317 108.800 0.135 0.000 2.890 144 G HA2 0.611 4.571 3.960 0.001 0.000 0.189 144 G HA3 0.611 4.571 3.960 0.001 0.000 0.189 144 G C 0.096 175.078 174.900 0.136 0.000 1.342 144 G CA -0.485 44.693 45.100 0.131 0.000 1.026 144 G HN 0.710 nan 8.290 nan 0.000 0.579 145 G N -1.012 107.884 108.800 0.159 0.000 2.572 145 G HA2 0.444 4.405 3.960 0.001 0.000 0.261 145 G HA3 0.444 4.405 3.960 0.001 0.000 0.261 145 G C -0.297 174.692 174.900 0.149 0.000 1.197 145 G CA -0.419 44.771 45.100 0.149 0.000 0.870 145 G HN 0.493 nan 8.290 nan 0.000 0.548 146 E N 0.324 120.589 120.200 0.109 0.000 2.328 146 E HA 0.245 4.595 4.350 0.001 0.000 0.265 146 E C 1.099 177.716 176.600 0.029 0.000 1.057 146 E CA 0.035 56.474 56.400 0.065 0.000 0.916 146 E CB 1.173 30.921 29.700 0.079 0.000 0.993 146 E HN 0.485 nan 8.360 nan 0.000 0.446 147 A N 4.045 126.813 122.820 -0.088 0.000 1.835 147 A HA 0.286 4.606 4.320 0.001 0.000 0.213 147 A C 1.021 178.573 177.584 -0.054 0.000 1.210 147 A CA 1.247 53.192 52.037 -0.154 0.000 0.605 147 A CB -0.034 18.698 19.000 -0.446 0.000 0.860 147 A HN 0.712 nan 8.150 nan 0.000 0.447 148 G N -2.097 106.665 108.800 -0.064 0.000 2.328 148 G HA2 0.481 4.442 3.960 0.001 0.000 0.299 148 G HA3 0.481 4.442 3.960 0.001 0.000 0.299 148 G C -0.281 174.591 174.900 -0.047 0.000 1.435 148 G CA 0.079 45.157 45.100 -0.038 0.000 0.865 148 G HN 1.103 nan 8.290 nan 0.000 0.601 154 P HA 0.140 nan 4.420 nan 0.000 0.264 154 P C -2.271 175.014 177.300 -0.026 0.000 1.173 154 P CA -0.146 62.939 63.100 -0.026 0.000 0.761 154 P CB -0.500 31.186 31.700 -0.023 0.000 0.794 155 P HA 0.128 nan 4.420 nan 0.000 0.279 155 P C 0.166 177.453 177.300 -0.022 0.000 1.239 155 P CA -0.304 62.778 63.100 -0.030 0.000 0.789 155 P CB 1.215 32.894 31.700 -0.036 0.000 0.933 156 A N 3.367 126.179 122.820 -0.013 0.000 1.940 156 A HA -0.066 4.255 4.320 0.001 0.000 0.219 156 A C 0.937 178.512 177.584 -0.016 0.000 1.176 156 A CA 1.495 53.527 52.037 -0.008 0.000 0.631 156 A CB -0.682 18.321 19.000 0.004 0.000 0.814 156 A HN 0.580 nan 8.150 nan 0.000 0.446 157 L N -2.718 118.492 121.223 -0.021 0.000 2.424 157 L HA 0.654 4.995 4.340 0.001 0.000 0.258 157 L C -1.223 175.625 176.870 -0.036 0.000 0.995 157 L CA 0.017 54.838 54.840 -0.031 0.000 0.821 157 L CB 2.414 44.452 42.059 -0.034 0.000 1.383 157 L HN -0.087 nan 8.230 nan 0.000 0.410 158 T N 4.509 119.033 114.554 -0.049 0.000 2.949 158 T HA 0.499 4.849 4.350 0.001 0.000 0.300 158 T C -0.841 173.809 174.700 -0.083 0.000 0.988 158 T CA -0.214 61.854 62.100 -0.053 0.000 0.993 158 T CB 0.815 69.652 68.868 -0.051 0.000 0.984 158 T HN 0.473 nan 8.240 nan 0.000 0.442 159 L N 4.773 125.938 121.223 -0.097 0.000 2.255 159 L HA 0.512 4.852 4.340 0.001 0.000 0.289 159 L C -0.400 176.343 176.870 -0.212 0.000 1.046 159 L CA -0.761 53.944 54.840 -0.225 0.000 0.816 159 L CB 0.611 42.488 42.059 -0.304 0.000 1.197 159 L HN 0.478 nan 8.230 nan 0.000 0.427 160 I N 4.257 124.712 120.570 -0.190 0.000 2.304 160 I HA 0.269 4.439 4.170 0.001 0.000 0.291 160 I C -0.329 175.764 176.117 -0.040 0.000 1.018 160 I CA -0.156 61.124 61.300 -0.033 0.000 1.260 160 I CB 0.986 39.000 38.000 0.024 0.000 1.390 160 I HN 0.312 nan 8.210 nan 0.000 0.475 161 F N 3.712 123.616 119.950 -0.078 0.000 2.450 161 F HA 0.272 4.799 4.527 0.000 0.000 0.332 161 F C 0.896 176.760 175.800 0.106 0.000 1.093 161 F CA -0.867 57.090 58.000 -0.071 0.000 1.003 161 F CB 1.012 39.902 39.000 -0.182 0.000 1.151 161 F HN 0.354 nan 8.300 nan 0.000 0.474 162 D N 4.510 125.083 120.400 0.289 0.000 2.468 162 D HA 0.304 4.945 4.640 0.001 0.000 0.218 162 D C -0.106 176.329 176.300 0.225 0.000 1.155 162 D CA 0.215 54.392 54.000 0.295 0.000 0.924 162 D CB -0.033 40.924 40.800 0.262 0.000 1.029 162 D HN 0.606 nan 8.370 nan 0.000 0.515 163 R N 1.119 121.741 120.500 0.204 0.000 1.324 163 R HA -0.163 4.177 4.340 0.001 0.000 0.434 163 R C -0.614 175.666 176.300 -0.034 0.000 1.325 163 R CA -0.099 56.033 56.100 0.053 0.000 1.172 163 R CB -0.548 29.695 30.300 -0.095 0.000 3.276 163 R HN 0.616 nan 8.270 nan 0.000 0.517 164 H N 2.357 121.309 119.070 -0.197 0.000 2.573 164 H HA 0.265 4.822 4.556 0.000 0.000 0.351 164 H C -1.935 173.194 175.328 -0.332 0.000 1.163 164 H CA -2.150 53.704 56.048 -0.323 0.000 1.205 164 H CB 2.157 31.682 29.762 -0.394 0.000 1.605 164 H HN 0.198 nan 8.280 nan 0.000 0.525 165 P HA -0.218 nan 4.420 nan 0.000 0.220 165 P C 1.680 179.012 177.300 0.053 0.000 1.155 165 P CA 2.365 65.347 63.100 -0.195 0.000 0.880 165 P CB -0.152 31.341 31.700 -0.344 0.000 0.790 166 I N -4.404 116.314 120.570 0.247 0.000 2.850 166 I HA -0.138 4.032 4.170 0.001 0.000 0.266 166 I C 1.889 178.093 176.117 0.146 0.000 1.257 166 I CA 1.395 62.804 61.300 0.182 0.000 1.465 166 I CB -0.888 37.189 38.000 0.129 0.000 1.091 166 I HN -0.172 nan 8.210 nan 0.000 0.467 167 A N 1.656 124.594 122.820 0.196 0.000 1.902 167 A HA 0.073 4.393 4.320 0.001 0.000 0.217 167 A C 2.497 180.283 177.584 0.336 0.000 1.181 167 A CA 1.824 54.055 52.037 0.324 0.000 0.623 167 A CB -0.740 18.471 19.000 0.351 0.000 0.818 167 A HN 0.598 nan 8.150 nan 0.000 0.443 168 A N -1.343 121.637 122.820 0.267 0.000 2.095 168 A HA 0.413 4.733 4.320 0.001 0.000 0.212 168 A C 1.781 179.345 177.584 -0.033 0.000 1.162 168 A CA 0.490 52.614 52.037 0.144 0.000 0.753 168 A CB -0.168 18.962 19.000 0.217 0.000 0.840 168 A HN 0.390 nan 8.150 nan 0.000 0.468 169 L N -1.143 120.111 121.223 0.051 0.000 2.607 169 L HA 0.234 4.574 4.340 0.001 0.000 0.228 169 L C 1.596 178.520 176.870 0.090 0.000 1.123 169 L CA 0.239 55.117 54.840 0.063 0.000 0.890 169 L CB 0.565 42.704 42.059 0.134 0.000 1.103 169 L HN 0.489 nan 8.230 nan 0.000 0.468 170 L N -3.024 118.229 121.223 0.049 0.000 2.230 170 L HA 0.111 4.451 4.340 0.001 0.000 0.164 170 L C 1.970 178.823 176.870 -0.029 0.000 1.237 170 L CA 0.848 55.704 54.840 0.027 0.000 1.030 170 L CB -0.306 41.747 42.059 -0.010 0.000 2.103 170 L HN -0.066 nan 8.230 nan 0.000 0.490 171 C N 0.123 119.364 119.300 -0.099 0.000 2.442 171 C HA -0.126 4.334 4.460 0.001 0.000 0.279 171 C C 2.490 177.361 174.990 -0.198 0.000 1.237 171 C CA 1.349 60.203 59.018 -0.273 0.000 1.722 171 C CB -1.239 26.158 27.740 -0.572 0.000 2.056 171 C HN 0.643 nan 8.230 nan 0.000 0.469 172 Y N 1.463 121.747 120.300 -0.027 0.000 2.145 172 Y HA -0.098 4.452 4.550 0.000 0.000 0.286 172 Y C 0.091 175.963 175.900 -0.046 0.000 1.145 172 Y CA 2.039 60.127 58.100 -0.020 0.000 1.148 172 Y CB -2.058 36.385 38.460 -0.029 0.000 0.981 172 Y HN 0.310 nan 8.280 nan 0.000 0.507 173 P HA -0.244 nan 4.420 nan 0.000 0.214 173 P C 1.482 178.839 177.300 0.095 0.000 1.163 173 P CA 2.485 65.617 63.100 0.053 0.000 0.889 173 P CB -0.210 31.523 31.700 0.055 0.000 0.790 174 A N -0.118 122.741 122.820 0.064 0.000 1.908 174 A HA -0.177 4.143 4.320 0.001 0.000 0.218 174 A C 2.349 179.963 177.584 0.051 0.000 1.181 174 A CA 2.400 54.477 52.037 0.067 0.000 0.627 174 A CB -1.663 17.334 19.000 -0.006 0.000 0.818 174 A HN 0.209 nan 8.150 nan 0.000 0.445 175 A N -0.607 122.189 122.820 -0.041 0.000 1.877 175 A HA -0.154 4.167 4.320 0.001 0.000 0.216 175 A C 2.186 179.756 177.584 -0.023 0.000 1.186 175 A CA 1.498 53.496 52.037 -0.066 0.000 0.620 175 A CB -0.445 18.471 19.000 -0.141 0.000 0.822 175 A HN 0.380 nan 8.150 nan 0.000 0.443 176 R N -1.506 119.003 120.500 0.015 0.000 2.120 176 R HA -0.134 4.206 4.340 0.001 0.000 0.234 176 R C 1.964 178.286 176.300 0.038 0.000 1.123 176 R CA 1.561 57.671 56.100 0.017 0.000 0.975 176 R CB -1.088 29.227 30.300 0.025 0.000 0.866 176 R HN 0.807 nan 8.270 nan 0.000 0.446 177 Y N 1.260 121.542 120.300 -0.031 0.000 2.200 177 Y HA -0.107 4.443 4.550 0.001 0.000 0.290 177 Y C 1.977 177.838 175.900 -0.065 0.000 1.137 177 Y CA 1.307 59.384 58.100 -0.038 0.000 1.163 177 Y CB -0.444 37.992 38.460 -0.040 0.000 0.988 177 Y HN -0.092 nan 8.280 nan 0.000 0.518 178 L N -0.179 120.879 121.223 -0.275 0.000 2.191 178 L HA -0.201 4.140 4.340 0.001 0.000 0.212 178 L C 1.952 178.666 176.870 -0.259 0.000 1.103 178 L CA 0.789 55.414 54.840 -0.358 0.000 0.769 178 L CB -0.425 41.525 42.059 -0.182 0.000 0.908 178 L HN 0.338 nan 8.230 nan 0.000 0.438 179 M N -0.794 118.705 119.600 -0.168 0.000 2.618 179 M HA 0.146 4.626 4.480 0.001 0.000 0.240 179 M C 1.595 177.822 176.300 -0.121 0.000 1.123 179 M CA 0.834 56.064 55.300 -0.117 0.000 1.060 179 M CB -0.767 31.791 32.600 -0.071 0.000 1.535 179 M HN 0.380 nan 8.290 nan 0.000 0.507 180 G N 0.761 109.462 108.800 -0.166 0.000 2.148 180 G HA2 -0.252 3.708 3.960 0.001 0.000 0.254 180 G HA3 -0.252 3.708 3.960 0.001 0.000 0.254 180 G C 0.701 175.569 174.900 -0.055 0.000 0.981 180 G CA 0.703 45.726 45.100 -0.128 0.000 0.670 180 G HN 0.567 nan 8.290 nan 0.000 0.528 181 S N -1.430 114.250 115.700 -0.033 0.000 2.572 181 S HA 0.704 5.174 4.470 0.001 0.000 0.228 181 S C 0.303 174.926 174.600 0.038 0.000 0.963 181 S CA 0.640 58.838 58.200 -0.004 0.000 0.939 181 S CB 0.453 63.641 63.200 -0.020 0.000 0.804 181 S HN 0.911 nan 8.310 nan 0.000 0.480 182 M N 2.110 121.758 119.600 0.079 0.000 2.471 182 M HA 0.351 4.831 4.480 0.001 0.000 0.284 182 M C -1.141 175.282 176.300 0.205 0.000 1.203 182 M CA -0.261 55.121 55.300 0.137 0.000 0.915 182 M CB 2.124 34.820 32.600 0.160 0.000 1.734 182 M HN 0.241 nan 8.290 nan 0.000 0.485 183 T N 0.537 115.186 114.554 0.159 0.000 2.904 183 T HA 0.490 4.840 4.350 0.001 0.000 0.290 183 T C -2.215 172.530 174.700 0.075 0.000 1.018 183 T CA -1.373 60.811 62.100 0.139 0.000 1.075 183 T CB 0.686 69.596 68.868 0.069 0.000 0.986 183 T HN 0.533 nan 8.240 nan 0.000 0.523 184 P HA -0.033 nan 4.420 nan 0.000 0.223 184 P C 1.195 178.394 177.300 -0.169 0.000 1.151 184 P CA 0.850 63.760 63.100 -0.316 0.000 0.787 184 P CB 0.129 31.530 31.700 -0.498 0.000 0.788 185 Q N 0.209 119.926 119.800 -0.137 0.000 2.079 185 Q HA -0.025 4.315 4.340 0.001 0.000 0.200 185 Q C 2.434 178.435 176.000 0.003 0.000 0.974 185 Q CA 1.948 57.713 55.803 -0.064 0.000 0.840 185 Q CB -1.307 27.448 28.738 0.027 0.000 0.898 185 Q HN 0.182 nan 8.270 nan 0.000 0.430 186 A N 0.098 122.921 122.820 0.005 0.000 1.902 186 A HA -0.147 4.173 4.320 0.001 0.000 0.217 186 A C 2.311 179.928 177.584 0.055 0.000 1.181 186 A CA 1.460 53.485 52.037 -0.021 0.000 0.623 186 A CB -0.852 18.189 19.000 0.067 0.000 0.818 186 A HN 0.220 nan 8.150 nan 0.000 0.443 187 V N 0.215 120.222 119.914 0.154 0.000 2.287 187 V HA -0.284 3.837 4.120 0.001 0.000 0.248 187 V C 2.503 178.679 176.094 0.136 0.000 1.053 187 V CA 2.084 64.528 62.300 0.239 0.000 1.027 187 V CB -0.787 31.157 31.823 0.201 0.000 0.646 187 V HN 0.581 nan 8.190 nan 0.000 0.447 188 L N -0.199 121.026 121.223 0.003 0.000 2.291 188 L HA -0.051 4.289 4.340 0.001 0.000 0.214 188 L C 2.633 179.486 176.870 -0.027 0.000 1.120 188 L CA 1.010 55.798 54.840 -0.087 0.000 0.799 188 L CB -0.709 41.281 42.059 -0.116 0.000 0.925 188 L HN 0.357 nan 8.230 nan 0.000 0.446 189 A N 0.119 122.906 122.820 -0.055 0.000 1.898 189 A HA -0.171 4.149 4.320 0.001 0.000 0.216 189 A C 1.963 179.447 177.584 -0.167 0.000 1.181 189 A CA 1.320 53.266 52.037 -0.151 0.000 0.620 189 A CB -0.606 18.224 19.000 -0.284 0.000 0.819 189 A HN 0.267 nan 8.150 nan 0.000 0.442 190 F N -0.021 119.940 119.950 0.020 0.000 2.146 190 F HA -0.115 4.412 4.527 0.001 0.000 0.298 190 F C 2.463 178.269 175.800 0.010 0.000 1.096 190 F CA 1.303 59.318 58.000 0.025 0.000 1.275 190 F CB -0.779 38.244 39.000 0.039 0.000 1.008 190 F HN 0.015 nan 8.300 nan 0.000 0.480 191 V N 0.023 120.028 119.914 0.152 0.000 2.332 191 V HA -0.311 3.809 4.120 0.001 0.000 0.248 191 V C 2.572 178.683 176.094 0.029 0.000 1.055 191 V CA 1.783 64.112 62.300 0.049 0.000 1.038 191 V CB -1.462 30.323 31.823 -0.063 0.000 0.651 191 V HN 0.359 nan 8.190 nan 0.000 0.450 192 A N -0.534 122.295 122.820 0.016 0.000 2.067 192 A HA -0.047 4.273 4.320 0.001 0.000 0.219 192 A C 2.046 179.646 177.584 0.027 0.000 1.158 192 A CA 1.317 53.363 52.037 0.015 0.000 0.661 192 A CB -0.440 18.563 19.000 0.006 0.000 0.801 192 A HN 0.555 nan 8.150 nan 0.000 0.452 193 L N -0.192 121.061 121.223 0.049 0.000 2.591 193 L HA 0.217 4.558 4.340 0.001 0.000 0.228 193 L C 0.069 176.984 176.870 0.075 0.000 1.133 193 L CA -0.347 54.531 54.840 0.064 0.000 0.880 193 L CB -0.226 41.887 42.059 0.090 0.000 1.033 193 L HN 0.261 nan 8.230 nan 0.000 0.450 194 I N 2.091 122.703 120.570 0.071 0.000 2.668 194 I HA 0.005 4.175 4.170 0.001 0.000 0.285 194 I C -1.755 174.387 176.117 0.042 0.000 1.168 194 I CA -1.577 59.760 61.300 0.062 0.000 1.424 194 I CB 0.176 38.210 38.000 0.057 0.000 1.377 194 I HN -0.142 nan 8.210 nan 0.000 0.560 195 P HA 0.116 nan 4.420 nan 0.000 0.269 195 P C -2.437 174.877 177.300 0.024 0.000 1.215 195 P CA -1.086 62.028 63.100 0.023 0.000 0.780 195 P CB -0.339 31.365 31.700 0.007 0.000 0.898 196 P HA -0.007 nan 4.420 nan 0.000 0.264 196 P C -0.285 177.031 177.300 0.027 0.000 1.183 196 P CA 0.600 63.714 63.100 0.023 0.000 0.763 196 P CB -0.110 31.604 31.700 0.022 0.000 0.807 197 T N 4.431 119.000 114.554 0.024 0.000 2.752 197 T HA 0.228 4.578 4.350 0.001 0.000 0.295 197 T C 0.628 175.349 174.700 0.036 0.000 0.923 197 T CA -0.179 61.935 62.100 0.025 0.000 1.112 197 T CB -0.284 68.580 68.868 -0.007 0.000 0.884 197 T HN 0.157 nan 8.240 nan 0.000 0.525 198 L N 5.339 126.597 121.223 0.058 0.000 2.466 198 L HA 0.349 4.689 4.340 0.001 0.000 0.257 198 L C -1.812 175.115 176.870 0.095 0.000 1.189 198 L CA -2.330 52.557 54.840 0.079 0.000 0.813 198 L CB -0.032 42.089 42.059 0.103 0.000 1.118 198 L HN 0.337 nan 8.230 nan 0.000 0.471 199 P HA 0.084 nan 4.420 nan 0.000 0.269 199 P C 0.417 177.823 177.300 0.176 0.000 1.215 199 P CA 0.244 63.424 63.100 0.135 0.000 0.780 199 P CB 0.572 32.345 31.700 0.121 0.000 0.898 200 G N 0.837 109.782 108.800 0.242 0.000 2.176 200 G HA2 -0.214 3.747 3.960 0.001 0.000 0.252 200 G HA3 -0.214 3.747 3.960 0.001 0.000 0.252 200 G C 0.060 175.147 174.900 0.312 0.000 1.024 200 G CA 0.030 45.285 45.100 0.257 0.000 0.755 200 G HN 0.583 nan 8.290 nan 0.000 0.507 201 T N 2.038 116.774 114.554 0.303 0.000 2.992 201 T HA 0.319 4.670 4.350 0.001 0.000 0.299 201 T C 0.335 175.217 174.700 0.303 0.000 1.027 201 T CA -0.292 61.964 62.100 0.260 0.000 1.001 201 T CB 0.074 68.975 68.868 0.055 0.000 1.005 201 T HN 0.397 nan 8.240 nan 0.000 0.599 202 N N 3.729 122.680 118.700 0.419 0.000 2.422 202 N HA 0.411 5.152 4.740 0.001 0.000 0.266 202 N C -0.712 175.058 175.510 0.433 0.000 1.007 202 N CA -0.404 52.925 53.050 0.464 0.000 0.941 202 N CB 2.090 40.822 38.487 0.408 0.000 1.115 202 N HN 0.549 nan 8.380 nan 0.000 0.492 203 I N 1.473 122.256 120.570 0.355 0.000 2.509 203 I HA 0.358 4.528 4.170 0.001 0.000 0.293 203 I C -1.130 175.180 176.117 0.321 0.000 1.020 203 I CA -0.841 60.623 61.300 0.274 0.000 1.088 203 I CB 1.548 39.584 38.000 0.060 0.000 1.267 203 I HN 0.041 nan 8.210 nan 0.000 0.430 204 V N 8.065 128.147 119.914 0.281 0.000 2.357 204 V HA 0.423 4.543 4.120 0.001 0.000 0.284 204 V C 0.102 176.318 176.094 0.203 0.000 1.018 204 V CA -0.452 62.001 62.300 0.256 0.000 0.841 204 V CB 1.275 33.214 31.823 0.193 0.000 0.991 204 V HN 0.576 nan 8.190 nan 0.000 0.437 205 L N 3.660 124.992 121.223 0.180 0.000 2.358 205 L HA 0.852 5.192 4.340 0.001 0.000 0.268 205 L C 0.771 177.746 176.870 0.175 0.000 1.032 205 L CA -0.564 54.360 54.840 0.140 0.000 0.805 205 L CB 1.527 43.668 42.059 0.137 0.000 1.253 205 L HN 0.690 nan 8.230 nan 0.000 0.452 206 G N -0.084 108.816 108.800 0.166 0.000 2.420 206 G HA2 0.673 4.633 3.960 0.001 0.000 0.331 206 G HA3 0.673 4.633 3.960 0.001 0.000 0.331 206 G C -1.245 173.761 174.900 0.177 0.000 1.168 206 G CA -0.455 44.834 45.100 0.314 0.000 0.936 206 G HN 0.718 nan 8.290 nan 0.000 0.479 207 A N 0.774 123.716 122.820 0.204 0.000 2.318 207 A HA 0.825 5.145 4.320 0.001 0.000 0.324 207 A C -1.077 176.570 177.584 0.104 0.000 1.170 207 A CA -0.581 51.523 52.037 0.113 0.000 0.810 207 A CB 1.496 20.541 19.000 0.076 0.000 1.198 207 A HN 1.408 nan 8.150 nan 0.000 0.484 208 L N 3.747 125.004 121.223 0.056 0.000 2.847 208 L HA 0.464 4.804 4.340 0.001 0.000 0.261 208 L C -2.732 174.169 176.870 0.051 0.000 0.926 208 L CA -0.836 54.023 54.840 0.031 0.000 1.010 208 L CB 1.788 43.806 42.059 -0.069 0.000 1.538 208 L HN 0.500 nan 8.230 nan 0.000 0.465 209 P HA 0.020 nan 4.420 nan 0.000 0.264 209 P C 0.496 177.843 177.300 0.078 0.000 1.179 209 P CA 0.241 63.373 63.100 0.053 0.000 0.763 209 P CB 0.675 32.399 31.700 0.040 0.000 0.806 210 E N 1.526 121.768 120.200 0.071 0.000 2.085 210 E HA -0.269 4.082 4.350 0.001 0.000 0.194 210 E C 0.827 177.468 176.600 0.068 0.000 0.994 210 E CA 1.505 57.949 56.400 0.073 0.000 0.801 210 E CB -0.019 29.698 29.700 0.029 0.000 0.743 210 E HN 0.378 nan 8.360 nan 0.000 0.453 211 D N -0.164 120.265 120.400 0.048 0.000 2.144 211 D HA -0.125 4.515 4.640 0.001 0.000 0.199 211 D C 1.997 178.329 176.300 0.054 0.000 0.984 211 D CA 0.657 54.682 54.000 0.040 0.000 0.834 211 D CB -0.100 40.717 40.800 0.028 0.000 0.955 211 D HN 0.071 nan 8.370 nan 0.000 0.465 212 R N -0.310 120.226 120.500 0.060 0.000 2.075 212 R HA -0.092 4.248 4.340 0.001 0.000 0.232 212 R C 2.143 178.496 176.300 0.088 0.000 1.126 212 R CA 0.908 57.041 56.100 0.056 0.000 0.963 212 R CB -0.673 29.651 30.300 0.040 0.000 0.858 212 R HN 0.494 nan 8.270 nan 0.000 0.435 213 H N 0.126 119.191 119.070 -0.009 0.000 2.293 213 H HA -0.014 4.542 4.556 -0.000 0.000 0.300 213 H C 2.237 177.550 175.328 -0.025 0.000 1.082 213 H CA 1.512 57.543 56.048 -0.029 0.000 1.308 213 H CB 0.061 29.796 29.762 -0.045 0.000 1.375 213 H HN 0.054 nan 8.280 nan 0.000 0.495 214 I N 0.603 121.242 120.570 0.115 0.000 2.163 214 I HA -0.320 3.850 4.170 0.001 0.000 0.243 214 I C 2.336 178.483 176.117 0.051 0.000 1.085 214 I CA 1.447 62.765 61.300 0.030 0.000 1.347 214 I CB -0.338 37.667 38.000 0.009 0.000 1.044 214 I HN 0.486 nan 8.210 nan 0.000 0.408 215 D N 0.587 121.021 120.400 0.056 0.000 2.087 215 D HA -0.244 4.396 4.640 0.001 0.000 0.192 215 D C 2.291 178.622 176.300 0.051 0.000 0.993 215 D CA 1.531 55.558 54.000 0.044 0.000 0.828 215 D CB -0.039 40.785 40.800 0.040 0.000 0.968 215 D HN 0.221 nan 8.370 nan 0.000 0.448 216 R N 0.158 120.697 120.500 0.065 0.000 2.096 216 R HA -0.167 4.174 4.340 0.001 0.000 0.235 216 R C 2.510 178.855 176.300 0.075 0.000 1.127 216 R CA 0.873 57.007 56.100 0.056 0.000 0.968 216 R CB -0.310 30.007 30.300 0.029 0.000 0.861 216 R HN 0.127 nan 8.270 nan 0.000 0.440 217 L N 0.889 122.183 121.223 0.118 0.000 2.005 217 L HA 0.044 4.384 4.340 0.001 0.000 0.207 217 L C 1.086 177.993 176.870 0.062 0.000 1.072 217 L CA 1.921 56.827 54.840 0.109 0.000 0.744 217 L CB -0.815 41.298 42.059 0.091 0.000 0.895 217 L HN 0.157 nan 8.230 nan 0.000 0.433 218 A N 0.782 123.628 122.820 0.043 0.000 3.179 218 A HA 0.236 4.556 4.320 0.001 0.000 0.268 218 A C 0.360 177.956 177.584 0.019 0.000 2.022 218 A CA 0.501 52.553 52.037 0.025 0.000 1.504 218 A CB -1.234 17.778 19.000 0.020 0.000 0.897 218 A HN 0.565 nan 8.150 nan 0.000 0.600 227 L N 2.392 123.609 121.223 -0.010 0.000 2.505 227 L HA 0.164 4.505 4.340 0.001 0.000 0.279 227 L C -0.596 176.318 176.870 0.074 0.000 1.211 227 L CA 0.761 55.616 54.840 0.025 0.000 1.059 227 L CB -0.333 41.735 42.059 0.016 0.000 1.340 227 L HN 0.387 nan 8.230 nan 0.000 0.447 228 D N 3.826 124.301 120.400 0.124 0.000 2.472 228 D HA 0.126 4.766 4.640 0.001 0.000 0.234 228 D C 0.923 177.284 176.300 0.100 0.000 1.088 228 D CA -0.278 53.808 54.000 0.142 0.000 0.882 228 D CB 0.956 41.892 40.800 0.226 0.000 1.037 228 D HN 0.457 nan 8.370 nan 0.000 0.520 229 L N 2.766 124.019 121.223 0.049 0.000 2.217 229 L HA -0.025 4.316 4.340 0.001 0.000 0.211 229 L C 2.526 179.395 176.870 -0.000 0.000 1.107 229 L CA 1.135 55.980 54.840 0.009 0.000 0.783 229 L CB -0.175 41.881 42.059 -0.004 0.000 0.919 229 L HN 0.422 nan 8.230 nan 0.000 0.442 230 A N -0.632 122.195 122.820 0.013 0.000 1.898 230 A HA -0.240 4.080 4.320 0.001 0.000 0.216 230 A C 2.273 179.857 177.584 -0.001 0.000 1.181 230 A CA 1.907 53.941 52.037 -0.005 0.000 0.620 230 A CB -0.486 18.510 19.000 -0.007 0.000 0.819 230 A HN 0.353 nan 8.150 nan 0.000 0.442 231 M N -0.642 118.980 119.600 0.037 0.000 2.117 231 M HA -0.052 4.428 4.480 0.001 0.000 0.262 231 M C 1.835 178.168 176.300 0.055 0.000 1.065 231 M CA 1.574 56.913 55.300 0.064 0.000 1.114 231 M CB -0.690 31.991 32.600 0.135 0.000 1.361 231 M HN 0.328 nan 8.290 nan 0.000 0.408 232 L N 0.299 121.534 121.223 0.021 0.000 2.046 232 L HA -0.012 4.328 4.340 0.001 0.000 0.208 232 L C 2.296 179.095 176.870 -0.118 0.000 1.077 232 L CA 2.154 56.926 54.840 -0.112 0.000 0.747 232 L CB -1.172 40.764 42.059 -0.204 0.000 0.896 232 L HN 0.339 nan 8.230 nan 0.000 0.432 233 A N -0.473 122.303 122.820 -0.073 0.000 1.877 233 A HA -0.105 4.215 4.320 0.001 0.000 0.216 233 A C 2.462 180.018 177.584 -0.047 0.000 1.186 233 A CA 1.849 53.851 52.037 -0.058 0.000 0.620 233 A CB -1.245 17.728 19.000 -0.046 0.000 0.822 233 A HN 0.574 nan 8.150 nan 0.000 0.443 234 A N -0.173 122.620 122.820 -0.046 0.000 1.859 234 A HA -0.171 4.149 4.320 0.001 0.000 0.217 234 A C 2.117 179.668 177.584 -0.055 0.000 1.198 234 A CA 1.940 53.945 52.037 -0.054 0.000 0.629 234 A CB -0.756 18.211 19.000 -0.055 0.000 0.830 234 A HN 0.628 nan 8.150 nan 0.000 0.446 235 I N -0.279 120.262 120.570 -0.048 0.000 2.264 235 I HA -0.216 3.954 4.170 0.001 0.000 0.248 235 I C 2.467 178.626 176.117 0.070 0.000 1.111 235 I CA 1.487 62.763 61.300 -0.040 0.000 1.382 235 I CB -0.344 37.626 38.000 -0.051 0.000 1.060 235 I HN 0.275 nan 8.210 nan 0.000 0.418 236 R N -0.431 120.083 120.500 0.023 0.000 2.081 236 R HA -0.148 4.192 4.340 0.001 0.000 0.235 236 R C 2.518 178.854 176.300 0.059 0.000 1.131 236 R CA 1.526 57.661 56.100 0.057 0.000 0.960 236 R CB -0.444 29.864 30.300 0.015 0.000 0.856 236 R HN 0.333 nan 8.270 nan 0.000 0.436 237 R N 0.693 121.198 120.500 0.009 0.000 2.075 237 R HA -0.099 4.241 4.340 0.001 0.000 0.232 237 R C 2.066 178.352 176.300 -0.025 0.000 1.126 237 R CA 1.275 57.370 56.100 -0.009 0.000 0.963 237 R CB -0.150 30.128 30.300 -0.036 0.000 0.858 237 R HN 0.053 nan 8.270 nan 0.000 0.435 238 V N 0.434 120.313 119.914 -0.058 0.000 2.255 238 V HA -0.285 3.835 4.120 0.001 0.000 0.247 238 V C 1.950 177.944 176.094 -0.166 0.000 1.051 238 V CA 1.898 64.109 62.300 -0.148 0.000 1.018 238 V CB -0.675 31.002 31.823 -0.243 0.000 0.641 238 V HN 0.360 nan 8.190 nan 0.000 0.445 239 Y N 1.087 121.352 120.300 -0.058 0.000 2.293 239 Y HA -0.053 4.497 4.550 0.001 0.000 0.291 239 Y C 2.457 178.349 175.900 -0.014 0.000 1.137 239 Y CA 1.342 59.425 58.100 -0.029 0.000 1.202 239 Y CB -0.957 37.497 38.460 -0.010 0.000 0.990 239 Y HN 0.273 nan 8.280 nan 0.000 0.537 240 G N 0.054 108.923 108.800 0.115 0.000 2.433 240 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 240 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 240 G C 1.655 176.574 174.900 0.032 0.000 1.186 240 G CA 1.060 46.202 45.100 0.071 0.000 0.779 240 G HN 0.324 nan 8.290 nan 0.000 0.543 241 L N -0.128 121.091 121.223 -0.007 0.000 1.990 241 L HA -0.144 4.197 4.340 0.001 0.000 0.213 241 L C 2.739 179.581 176.870 -0.046 0.000 1.072 241 L CA 1.105 55.921 54.840 -0.039 0.000 0.755 241 L CB -0.717 41.294 42.059 -0.079 0.000 0.889 241 L HN 0.254 nan 8.230 nan 0.000 0.432 242 L N 0.380 121.562 121.223 -0.068 0.000 2.021 242 L HA -0.251 4.090 4.340 0.001 0.000 0.215 242 L C 2.646 179.509 176.870 -0.011 0.000 1.074 242 L CA 2.214 57.011 54.840 -0.071 0.000 0.760 242 L CB -0.778 41.214 42.059 -0.112 0.000 0.889 242 L HN 0.196 nan 8.230 nan 0.000 0.433 243 A N -0.572 122.268 122.820 0.032 0.000 1.902 243 A HA -0.234 4.087 4.320 0.001 0.000 0.217 243 A C 2.103 179.712 177.584 0.040 0.000 1.181 243 A CA 1.931 53.993 52.037 0.041 0.000 0.623 243 A CB -0.848 18.189 19.000 0.062 0.000 0.818 243 A HN 0.638 nan 8.150 nan 0.000 0.443 244 N N -0.262 118.465 118.700 0.044 0.000 2.166 244 N HA -0.098 4.643 4.740 0.001 0.000 0.186 244 N C 1.698 177.275 175.510 0.111 0.000 1.019 244 N CA 1.859 54.951 53.050 0.070 0.000 0.856 244 N CB -0.730 37.789 38.487 0.054 0.000 0.993 244 N HN 0.529 nan 8.380 nan 0.000 0.426 245 T N 0.695 115.291 114.554 0.069 0.000 2.777 245 T HA -0.024 4.326 4.350 0.001 0.000 0.266 245 T C 2.192 176.994 174.700 0.169 0.000 1.040 245 T CA 0.708 62.874 62.100 0.110 0.000 1.141 245 T CB -0.264 68.573 68.868 -0.053 0.000 0.868 245 T HN -0.035 nan 8.240 nan 0.000 0.444 246 V N 1.769 121.729 119.914 0.078 0.000 2.261 246 V HA -0.192 3.928 4.120 0.001 0.000 0.246 246 V C 2.631 178.769 176.094 0.072 0.000 1.047 246 V CA 2.014 64.342 62.300 0.048 0.000 1.015 246 V CB -0.617 31.195 31.823 -0.017 0.000 0.642 246 V HN 0.331 nan 8.190 nan 0.000 0.446 247 R N -0.325 120.221 120.500 0.076 0.000 2.083 247 R HA -0.258 4.082 4.340 0.001 0.000 0.237 247 R C 2.327 178.706 176.300 0.132 0.000 1.137 247 R CA 2.376 58.524 56.100 0.079 0.000 0.951 247 R CB -0.936 29.410 30.300 0.078 0.000 0.851 247 R HN 0.584 nan 8.270 nan 0.000 0.434 248 Y N 0.809 121.152 120.300 0.071 0.000 2.097 248 Y HA -0.219 4.331 4.550 0.001 0.000 0.282 248 Y C 1.786 177.748 175.900 0.103 0.000 1.152 248 Y CA 2.148 60.308 58.100 0.101 0.000 1.136 248 Y CB -0.338 38.215 38.460 0.155 0.000 0.975 248 Y HN 0.102 nan 8.280 nan 0.000 0.498 249 L N 0.045 121.366 121.223 0.164 0.000 2.083 249 L HA -0.270 4.070 4.340 0.001 0.000 0.209 249 L C 2.403 179.260 176.870 -0.021 0.000 1.083 249 L CA 1.742 56.618 54.840 0.060 0.000 0.752 249 L CB -0.593 41.567 42.059 0.169 0.000 0.899 249 L HN 0.364 nan 8.230 nan 0.000 0.433 250 Q N -1.405 118.394 119.800 -0.002 0.000 2.378 250 Q HA -0.080 4.260 4.340 0.001 0.000 0.205 250 Q C 1.918 177.899 176.000 -0.031 0.000 0.954 250 Q CA 0.759 56.553 55.803 -0.015 0.000 0.901 250 Q CB 0.045 28.779 28.738 -0.006 0.000 0.981 250 Q HN 0.540 nan 8.270 nan 0.000 0.483 251 C N -0.137 119.130 119.300 -0.055 0.000 2.673 251 C HA 0.319 4.779 4.460 0.001 0.000 0.274 251 C C 1.528 176.453 174.990 -0.108 0.000 1.276 251 C CA 0.370 59.352 59.018 -0.061 0.000 1.701 251 C CB -0.704 27.014 27.740 -0.037 0.000 1.836 251 C HN 0.782 nan 8.230 nan 0.000 0.596 252 G N 0.389 109.104 108.800 -0.142 0.000 2.176 252 G HA2 -0.100 3.860 3.960 0.001 0.000 0.232 252 G HA3 -0.100 3.860 3.960 0.001 0.000 0.232 252 G C 0.400 175.141 174.900 -0.265 0.000 0.986 252 G CA -0.096 44.912 45.100 -0.153 0.000 0.643 252 G HN 0.803 nan 8.290 nan 0.000 0.522 253 G N 0.218 108.698 108.800 -0.533 0.000 2.265 253 G HA2 0.444 4.404 3.960 0.001 0.000 0.240 253 G HA3 0.444 4.404 3.960 0.001 0.000 0.240 253 G C 0.283 174.902 174.900 -0.468 0.000 1.270 253 G CA 1.206 45.700 45.100 -1.009 0.000 0.901 253 G HN 1.338 nan 8.290 nan 0.000 0.507 254 S N 3.604 119.189 115.700 -0.192 0.000 2.669 254 S HA 0.289 4.759 4.470 0.001 0.000 0.315 254 S C 1.137 175.732 174.600 -0.008 0.000 1.106 254 S CA -0.825 57.330 58.200 -0.076 0.000 1.107 254 S CB 0.109 63.235 63.200 -0.123 0.000 0.990 254 S HN 0.747 nan 8.310 nan 0.000 0.471 255 W N 6.303 127.524 121.300 -0.131 0.000 2.318 255 W HA -0.215 4.446 4.660 0.001 0.000 0.313 255 W C 1.063 177.525 176.519 -0.094 0.000 1.221 255 W CA 1.078 58.224 57.345 -0.331 0.000 1.266 255 W CB -0.748 28.035 29.460 -1.127 0.000 1.150 255 W HN 0.671 nan 8.180 nan 0.000 0.496 256 R N 0.820 120.609 120.500 -1.184 0.000 2.105 256 R HA -0.194 4.146 4.340 0.001 0.000 0.239 256 R C 2.391 178.450 176.300 -0.401 0.000 1.135 256 R CA 2.213 57.658 56.100 -1.093 0.000 0.967 256 R CB -0.532 29.134 30.300 -1.056 0.000 0.861 256 R HN 0.371 nan 8.270 nan 0.000 0.442 257 E N 0.299 120.352 120.200 -0.245 0.000 2.112 257 E HA -0.135 4.215 4.350 0.001 0.000 0.190 257 E C 0.615 177.205 176.600 -0.017 0.000 0.979 257 E CA 1.051 57.387 56.400 -0.107 0.000 0.814 257 E CB 0.287 29.930 29.700 -0.095 0.000 0.762 257 E HN 0.225 nan 8.360 nan 0.000 0.460 258 D N -0.289 120.135 120.400 0.039 0.000 2.349 258 D HA -0.073 4.568 4.640 0.001 0.000 0.214 258 D C 1.075 177.442 176.300 0.113 0.000 1.063 258 D CA -0.142 53.897 54.000 0.065 0.000 0.847 258 D CB -0.370 40.485 40.800 0.091 0.000 0.933 258 D HN 0.366 nan 8.370 nan 0.000 0.513 259 W N 2.172 123.470 121.300 -0.004 0.000 2.305 259 W HA -0.219 4.441 4.660 0.000 0.000 0.308 259 W C 1.775 178.322 176.519 0.046 0.000 1.226 259 W CA 1.939 59.332 57.345 0.080 0.000 1.253 259 W CB -0.363 29.179 29.460 0.138 0.000 1.146 259 W HN 0.080 nan 8.180 nan 0.000 0.507 260 G N 0.253 109.108 108.800 0.093 0.000 2.479 260 G HA2 -0.297 3.663 3.960 0.001 0.000 0.220 260 G HA3 -0.297 3.663 3.960 0.001 0.000 0.220 260 G C 1.373 176.236 174.900 -0.061 0.000 1.115 260 G CA 0.727 45.828 45.100 0.002 0.000 0.757 260 G HN 0.472 nan 8.290 nan 0.000 0.560 261 Q N -0.548 119.210 119.800 -0.069 0.000 2.451 261 Q HA 0.245 4.585 4.340 0.001 0.000 0.206 261 Q C 2.267 178.233 176.000 -0.057 0.000 0.947 261 Q CA -0.070 55.702 55.803 -0.053 0.000 0.937 261 Q CB 0.038 28.700 28.738 -0.126 0.000 1.025 261 Q HN 0.455 nan 8.270 nan 0.000 0.511 262 L N 0.241 121.350 121.223 -0.189 0.000 2.007 262 L HA -0.050 4.290 4.340 0.001 0.000 0.205 262 L C 0.832 177.607 176.870 -0.158 0.000 1.073 262 L CA 0.115 54.825 54.840 -0.218 0.000 0.744 262 L CB -0.343 41.414 42.059 -0.503 0.000 0.898 262 L HN -0.032 nan 8.230 nan 0.000 0.435 263 S N 0.774 116.360 115.700 -0.191 0.000 4.351 263 S HA 0.134 4.605 4.470 0.001 0.000 0.500 263 S C 0.445 175.001 174.600 -0.073 0.000 0.804 263 S CA 0.566 58.695 58.200 -0.118 0.000 1.494 263 S CB -0.986 62.165 63.200 -0.082 0.000 1.334 263 S HN 0.665 nan 8.310 nan 0.000 0.490 264 G N 2.263 111.020 108.800 -0.073 0.000 2.512 264 G HA2 0.558 4.518 3.960 0.001 0.000 0.181 264 G HA3 0.558 4.518 3.960 0.001 0.000 0.181 264 G C -0.501 174.364 174.900 -0.057 0.000 1.173 264 G CA 0.085 45.152 45.100 -0.054 0.000 0.988 264 G HN 0.921 nan 8.290 nan 0.000 0.485 265 T N -2.145 112.377 114.554 -0.053 0.000 2.565 265 T HA 0.777 5.127 4.350 0.001 0.000 0.253 265 T C -0.154 174.514 174.700 -0.054 0.000 0.868 265 T CA 0.357 62.425 62.100 -0.053 0.000 1.213 265 T CB 0.991 69.830 68.868 -0.048 0.000 1.518 265 T HN 2.034 nan 8.240 nan 0.000 0.474 266 A N 0.786 123.575 122.820 -0.053 0.000 2.260 266 A HA 0.733 5.053 4.320 0.001 0.000 0.314 266 A C -0.155 177.400 177.584 -0.048 0.000 1.257 266 A CA -0.554 51.453 52.037 -0.051 0.000 0.871 266 A CB 0.119 19.086 19.000 -0.055 0.000 1.166 266 A HN 0.692 nan 8.150 nan 0.000 0.522 275 Q N -0.013 119.814 119.800 0.044 0.000 2.413 275 Q HA 0.663 5.003 4.340 0.001 0.000 0.276 275 Q C 0.265 176.283 176.000 0.031 0.000 1.099 275 Q CA -0.613 55.213 55.803 0.038 0.000 0.814 275 Q CB 2.571 31.330 28.738 0.035 0.000 1.379 275 Q HN 0.538 nan 8.270 nan 0.000 0.436 276 S N -0.541 115.164 115.700 0.010 0.000 2.575 276 S HA 0.035 4.506 4.470 0.001 0.000 0.230 276 S C 0.638 175.206 174.600 -0.052 0.000 1.062 276 S CA 0.096 58.286 58.200 -0.018 0.000 0.913 276 S CB 0.129 63.305 63.200 -0.040 0.000 0.837 276 S HN 0.730 nan 8.310 nan 0.000 0.487 277 N N 1.603 120.268 118.700 -0.059 0.000 2.305 277 N HA 0.547 5.288 4.740 0.001 0.000 0.248 277 N C -0.434 175.066 175.510 -0.017 0.000 1.290 277 N CA 0.073 53.081 53.050 -0.069 0.000 0.873 277 N CB 0.774 39.161 38.487 -0.166 0.000 1.261 277 N HN 0.489 nan 8.380 nan 0.000 0.504 278 A N -0.759 122.063 122.820 0.004 0.000 2.594 278 A HA 0.906 5.226 4.320 0.001 0.000 0.295 278 A C 0.172 177.771 177.584 0.026 0.000 1.071 278 A CA -0.214 51.834 52.037 0.018 0.000 0.685 278 A CB 1.113 20.128 19.000 0.024 0.000 1.285 278 A HN 0.958 nan 8.150 nan 0.000 0.405 279 G N 0.635 109.451 108.800 0.028 0.000 2.592 279 G HA2 0.296 4.256 3.960 0.001 0.000 0.684 279 G HA3 0.296 4.256 3.960 0.001 0.000 0.684 279 G C -2.803 172.120 174.900 0.038 0.000 1.291 279 G CA -0.199 44.921 45.100 0.034 0.000 0.891 279 G HN 1.122 nan 8.290 nan 0.000 0.544 280 P HA 0.508 nan 4.420 nan 0.000 0.293 280 P C -0.249 177.092 177.300 0.068 0.000 1.304 280 P CA -0.725 62.405 63.100 0.049 0.000 0.767 280 P CB 0.704 32.433 31.700 0.049 0.000 1.247 281 R N 0.591 121.136 120.500 0.075 0.000 2.340 281 R HA 0.385 4.726 4.340 0.001 0.000 0.300 281 R C -2.149 174.255 176.300 0.173 0.000 1.069 281 R CA -1.287 54.883 56.100 0.117 0.000 0.984 281 R CB -0.386 29.962 30.300 0.080 0.000 1.003 281 R HN 0.284 nan 8.270 nan 0.000 0.459 282 P HA 0.007 nan 4.420 nan 0.000 0.274 282 P C -1.154 176.308 177.300 0.270 0.000 1.237 282 P CA -0.250 62.980 63.100 0.217 0.000 0.793 282 P CB 0.494 32.305 31.700 0.185 0.000 0.977 283 H N 2.439 121.567 119.070 0.096 0.000 2.683 283 H HA 0.106 4.663 4.556 0.000 0.000 0.339 283 H C 1.281 176.591 175.328 -0.029 0.000 1.081 283 H CA -0.077 56.011 56.048 0.066 0.000 1.432 283 H CB 0.760 30.542 29.762 0.033 0.000 1.462 283 H HN 0.445 nan 8.280 nan 0.000 0.557 284 I N 3.866 124.225 120.570 -0.352 0.000 2.381 284 I HA -0.236 3.934 4.170 0.001 0.000 0.255 284 I C 1.985 178.056 176.117 -0.076 0.000 1.140 284 I CA 1.723 62.815 61.300 -0.346 0.000 1.404 284 I CB -0.316 37.502 38.000 -0.305 0.000 1.075 284 I HN 0.801 nan 8.210 nan 0.000 0.433 285 G N -0.411 108.495 108.800 0.177 0.000 2.509 285 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 285 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 285 G C 0.974 175.925 174.900 0.084 0.000 1.124 285 G CA 0.708 45.918 45.100 0.184 0.000 0.776 285 G HN 0.409 nan 8.290 nan 0.000 0.547 286 D N -0.057 120.394 120.400 0.085 0.000 2.368 286 D HA 0.115 4.755 4.640 0.001 0.000 0.218 286 D C 1.308 177.606 176.300 -0.003 0.000 1.112 286 D CA 0.358 54.379 54.000 0.034 0.000 0.834 286 D CB 0.660 41.495 40.800 0.058 0.000 0.953 286 D HN 0.412 nan 8.370 nan 0.000 0.505 287 T N -3.209 111.324 114.554 -0.036 0.000 2.927 287 T HA 0.405 4.755 4.350 0.001 0.000 0.286 287 T C 1.498 176.139 174.700 -0.098 0.000 1.040 287 T CA -0.707 61.351 62.100 -0.070 0.000 1.010 287 T CB 1.196 70.001 68.868 -0.104 0.000 1.177 287 T HN -0.179 nan 8.240 nan 0.000 0.546 288 L N -0.393 120.707 121.223 -0.206 0.000 2.187 288 L HA -0.017 4.323 4.340 0.001 0.000 0.213 288 L C 2.331 179.110 176.870 -0.152 0.000 1.100 288 L CA 1.268 55.974 54.840 -0.223 0.000 0.765 288 L CB -0.776 41.127 42.059 -0.261 0.000 0.904 288 L HN 0.602 nan 8.230 nan 0.000 0.437 289 F N 0.488 120.482 119.950 0.072 0.000 2.147 289 F HA -0.300 4.227 4.527 0.001 0.000 0.301 289 F C 2.816 178.682 175.800 0.111 0.000 1.084 289 F CA 1.855 59.948 58.000 0.155 0.000 1.268 289 F CB -1.659 37.416 39.000 0.124 0.000 1.009 289 F HN 0.223 nan 8.300 nan 0.000 0.486 290 T N -0.951 113.666 114.554 0.105 0.000 2.759 290 T HA -0.231 4.119 4.350 0.001 0.000 0.269 290 T C 2.043 176.679 174.700 -0.107 0.000 1.042 290 T CA 1.478 63.558 62.100 -0.033 0.000 1.140 290 T CB -1.004 67.828 68.868 -0.060 0.000 0.864 290 T HN 0.315 nan 8.240 nan 0.000 0.455 291 L N -0.546 120.525 121.223 -0.253 0.000 2.127 291 L HA 0.026 4.367 4.340 0.001 0.000 0.211 291 L C 1.602 178.068 176.870 -0.674 0.000 1.089 291 L CA 1.156 55.691 54.840 -0.510 0.000 0.757 291 L CB -0.728 40.817 42.059 -0.856 0.000 0.899 291 L HN 0.222 nan 8.230 nan 0.000 0.434 292 F N -0.606 119.349 119.950 0.008 0.000 2.696 292 F HA 0.131 4.658 4.527 0.001 0.000 0.296 292 F C 1.799 177.722 175.800 0.206 0.000 1.181 292 F CA 0.094 58.105 58.000 0.018 0.000 1.411 292 F CB -0.547 38.447 39.000 -0.011 0.000 1.014 292 F HN -0.105 nan 8.300 nan 0.000 0.512 293 R N 0.747 121.358 120.500 0.185 0.000 2.515 293 R HA 0.429 4.769 4.340 0.001 0.000 0.294 293 R C 0.483 176.851 176.300 0.113 0.000 1.021 293 R CA -0.244 55.959 56.100 0.172 0.000 1.081 293 R CB -0.103 30.141 30.300 -0.094 0.000 1.263 293 R HN 0.199 nan 8.270 nan 0.000 0.557 294 A N 1.511 124.388 122.820 0.095 0.000 2.477 294 A HA 0.197 4.517 4.320 0.001 0.000 0.246 294 A C -1.517 176.110 177.584 0.071 0.000 1.078 294 A CA -1.177 50.907 52.037 0.078 0.000 0.770 294 A CB 0.286 19.316 19.000 0.049 0.000 1.011 294 A HN 0.155 nan 8.150 nan 0.000 0.494 295 P HA -0.167 nan 4.420 nan 0.000 0.219 295 P C 0.629 177.972 177.300 0.071 0.000 1.146 295 P CA 1.337 64.476 63.100 0.066 0.000 0.808 295 P CB 0.228 31.960 31.700 0.054 0.000 0.779 296 E N -0.073 120.155 120.200 0.047 0.000 2.153 296 E HA -0.076 4.274 4.350 0.001 0.000 0.194 296 E C 1.989 178.607 176.600 0.030 0.000 0.988 296 E CA 0.901 57.321 56.400 0.033 0.000 0.811 296 E CB -0.783 28.907 29.700 -0.016 0.000 0.746 296 E HN 0.307 nan 8.360 nan 0.000 0.466 297 L N -0.097 121.094 121.223 -0.054 0.000 2.529 297 L HA 0.124 4.464 4.340 0.001 0.000 0.223 297 L C -0.020 176.990 176.870 0.233 0.000 1.113 297 L CA -0.327 54.469 54.840 -0.074 0.000 0.861 297 L CB 0.022 41.906 42.059 -0.293 0.000 1.012 297 L HN 0.078 nan 8.230 nan 0.000 0.461 298 L N 0.367 121.670 121.223 0.133 0.000 2.350 298 L HA 0.455 4.795 4.340 0.001 0.000 0.275 298 L C 0.539 177.310 176.870 -0.166 0.000 1.099 298 L CA 0.145 54.992 54.840 0.010 0.000 0.808 298 L CB 1.169 43.267 42.059 0.065 0.000 1.149 298 L HN -0.062 nan 8.230 nan 0.000 0.442 299 A N 4.526 127.057 122.820 -0.480 0.000 2.239 299 A HA 0.672 4.992 4.320 0.001 0.000 0.303 299 A C -1.700 175.772 177.584 -0.187 0.000 1.114 299 A CA -1.078 50.603 52.037 -0.594 0.000 0.871 299 A CB -0.225 18.243 19.000 -0.886 0.000 1.201 299 A HN 0.690 nan 8.150 nan 0.000 0.506 300 P HA -0.153 nan 4.420 nan 0.000 0.218 300 P C 0.843 178.122 177.300 -0.035 0.000 1.148 300 P CA 1.599 64.682 63.100 -0.028 0.000 0.822 300 P CB -0.092 31.608 31.700 0.002 0.000 0.784 301 N N -0.874 117.787 118.700 -0.064 0.000 2.381 301 N HA -0.055 4.685 4.740 0.001 0.000 0.182 301 N C 1.473 176.970 175.510 -0.022 0.000 1.025 301 N CA 1.695 54.721 53.050 -0.041 0.000 0.888 301 N CB -1.141 37.315 38.487 -0.051 0.000 0.965 301 N HN 0.262 nan 8.380 nan 0.000 0.438 302 G N -0.914 107.868 108.800 -0.030 0.000 2.238 302 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 302 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 302 G C -0.526 174.410 174.900 0.061 0.000 0.996 302 G CA 0.177 45.289 45.100 0.020 0.000 0.632 302 G HN 0.450 nan 8.290 nan 0.000 0.503 303 D N 0.442 120.845 120.400 0.005 0.000 2.348 303 D HA 0.530 5.170 4.640 0.001 0.000 0.249 303 D C 1.170 177.421 176.300 -0.081 0.000 1.110 303 D CA -0.439 53.572 54.000 0.018 0.000 0.967 303 D CB 0.917 41.686 40.800 -0.052 0.000 1.139 303 D HN 0.244 nan 8.370 nan 0.000 0.466 304 L N 1.366 122.537 121.223 -0.087 0.000 2.485 304 L HA -0.016 4.324 4.340 0.001 0.000 0.275 304 L C 0.171 176.966 176.870 -0.124 0.000 1.207 304 L CA -0.038 54.752 54.840 -0.082 0.000 0.855 304 L CB 0.096 42.046 42.059 -0.181 0.000 1.114 304 L HN 0.278 nan 8.230 nan 0.000 0.485 305 Y N 2.340 122.672 120.300 0.052 0.000 2.480 305 Y HA -0.048 4.503 4.550 0.000 0.000 0.338 305 Y C 1.666 177.369 175.900 -0.329 0.000 1.220 305 Y CA 0.022 58.057 58.100 -0.109 0.000 1.430 305 Y CB 0.220 38.617 38.460 -0.104 0.000 1.311 305 Y HN 0.535 nan 8.280 nan 0.000 0.575 306 N N 0.907 119.381 118.700 -0.376 0.000 2.205 306 N HA -0.163 4.577 4.740 0.001 0.000 0.186 306 N C 1.788 176.594 175.510 -1.173 0.000 1.015 306 N CA 1.633 54.124 53.050 -0.931 0.000 0.862 306 N CB -0.236 37.501 38.487 -1.250 0.000 0.986 306 N HN 0.491 nan 8.380 nan 0.000 0.429 307 V N 0.693 120.109 119.914 -0.830 0.000 2.252 307 V HA -0.240 3.880 4.120 0.001 0.000 0.249 307 V C 1.973 177.809 176.094 -0.430 0.000 1.056 307 V CA 1.676 63.618 62.300 -0.596 0.000 1.022 307 V CB -1.134 30.199 31.823 -0.817 0.000 0.641 307 V HN 0.048 nan 8.190 nan 0.000 0.445 308 F N 1.403 121.264 119.950 -0.149 0.000 2.234 308 F HA 0.126 4.653 4.527 0.001 0.000 0.299 308 F C 2.555 178.225 175.800 -0.216 0.000 1.087 308 F CA 0.741 58.647 58.000 -0.156 0.000 1.340 308 F CB -1.386 37.550 39.000 -0.106 0.000 1.031 308 F HN 0.105 nan 8.300 nan 0.000 0.500 309 A N 0.039 122.802 122.820 -0.095 0.000 1.902 309 A HA -0.169 4.151 4.320 0.001 0.000 0.217 309 A C 2.037 179.716 177.584 0.158 0.000 1.181 309 A CA 1.413 53.448 52.037 -0.003 0.000 0.623 309 A CB -1.236 17.734 19.000 -0.051 0.000 0.818 309 A HN 0.463 nan 8.150 nan 0.000 0.443 310 W N -0.368 120.968 121.300 0.060 0.000 2.363 310 W HA -0.019 4.641 4.660 0.000 0.000 0.296 310 W C 2.744 179.266 176.519 0.005 0.000 1.212 310 W CA 0.707 58.077 57.345 0.042 0.000 1.260 310 W CB -1.224 28.231 29.460 -0.009 0.000 1.131 310 W HN 0.468 nan 8.180 nan 0.000 0.530 311 A N 0.337 123.249 122.820 0.154 0.000 1.933 311 A HA -0.138 4.182 4.320 0.001 0.000 0.218 311 A C 2.145 179.682 177.584 -0.077 0.000 1.175 311 A CA 1.439 53.487 52.037 0.019 0.000 0.628 311 A CB -0.986 17.995 19.000 -0.032 0.000 0.814 311 A HN 0.235 nan 8.150 nan 0.000 0.444 312 L N -0.582 120.540 121.223 -0.169 0.000 2.141 312 L HA -0.143 4.197 4.340 0.001 0.000 0.209 312 L C 1.801 178.693 176.870 0.036 0.000 1.094 312 L CA 1.091 55.759 54.840 -0.287 0.000 0.763 312 L CB -0.699 40.824 42.059 -0.894 0.000 0.908 312 L HN 0.274 nan 8.230 nan 0.000 0.437 313 D N -0.009 120.544 120.400 0.255 0.000 2.144 313 D HA -0.129 4.511 4.640 0.001 0.000 0.200 313 D C 2.361 178.786 176.300 0.207 0.000 0.978 313 D CA 1.013 55.234 54.000 0.368 0.000 0.833 313 D CB -0.035 40.987 40.800 0.371 0.000 0.961 313 D HN 0.104 nan 8.370 nan 0.000 0.470 314 V N 1.106 121.097 119.914 0.129 0.000 2.358 314 V HA -0.192 3.928 4.120 0.001 0.000 0.246 314 V C 2.461 178.587 176.094 0.053 0.000 1.047 314 V CA 0.888 63.232 62.300 0.073 0.000 1.035 314 V CB -0.393 31.457 31.823 0.044 0.000 0.658 314 V HN 0.130 nan 8.190 nan 0.000 0.452 315 L N 0.988 122.224 121.223 0.021 0.000 2.042 315 L HA -0.149 4.191 4.340 0.001 0.000 0.210 315 L C 2.414 179.317 176.870 0.054 0.000 1.076 315 L CA 2.516 57.344 54.840 -0.020 0.000 0.749 315 L CB -0.889 41.085 42.059 -0.142 0.000 0.893 315 L HN 0.231 nan 8.230 nan 0.000 0.432 316 A N -0.637 122.294 122.820 0.186 0.000 1.898 316 A HA -0.233 4.087 4.320 0.001 0.000 0.216 316 A C 2.363 180.039 177.584 0.153 0.000 1.181 316 A CA 1.807 54.005 52.037 0.268 0.000 0.620 316 A CB -0.601 18.664 19.000 0.441 0.000 0.819 316 A HN 0.480 nan 8.150 nan 0.000 0.442 317 K N -0.214 120.261 120.400 0.124 0.000 2.009 317 K HA -0.152 4.168 4.320 0.001 0.000 0.210 317 K C 2.146 178.770 176.600 0.041 0.000 1.049 317 K CA 1.566 57.898 56.287 0.074 0.000 0.929 317 K CB -0.184 32.355 32.500 0.065 0.000 0.714 317 K HN 0.279 nan 8.250 nan 0.000 0.440 318 R N 0.339 120.859 120.500 0.032 0.000 2.096 318 R HA -0.060 4.281 4.340 0.001 0.000 0.235 318 R C 2.283 178.569 176.300 -0.023 0.000 1.127 318 R CA 1.366 57.470 56.100 0.006 0.000 0.968 318 R CB -0.566 29.739 30.300 0.009 0.000 0.861 318 R HN 0.345 nan 8.270 nan 0.000 0.440 319 L N 1.022 122.237 121.223 -0.015 0.000 2.446 319 L HA 0.060 4.400 4.340 0.001 0.000 0.219 319 L C 2.568 179.417 176.870 -0.036 0.000 1.116 319 L CA 0.346 55.161 54.840 -0.041 0.000 0.844 319 L CB -0.310 41.734 42.059 -0.025 0.000 0.970 319 L HN 0.162 nan 8.230 nan 0.000 0.457 320 R N 0.380 120.878 120.500 -0.002 0.000 2.148 320 R HA -0.084 4.256 4.340 0.001 0.000 0.227 320 R C 1.848 178.108 176.300 -0.068 0.000 1.103 320 R CA 1.623 57.718 56.100 -0.009 0.000 0.983 320 R CB -0.527 29.791 30.300 0.029 0.000 0.874 320 R HN 0.345 nan 8.270 nan 0.000 0.451 321 S N -0.299 115.341 115.700 -0.099 0.000 2.556 321 S HA 0.221 4.692 4.470 0.001 0.000 0.216 321 S C 0.851 175.229 174.600 -0.369 0.000 0.970 321 S CA -0.615 57.483 58.200 -0.169 0.000 0.912 321 S CB 0.010 63.158 63.200 -0.086 0.000 0.790 321 S HN 0.139 nan 8.310 nan 0.000 0.504 322 M N 2.846 122.258 119.600 -0.313 0.000 2.242 322 M HA 0.227 4.707 4.480 0.001 0.000 0.344 322 M C -0.254 175.759 176.300 -0.479 0.000 1.140 322 M CA 0.101 55.190 55.300 -0.353 0.000 1.160 322 M CB 0.412 32.873 32.600 -0.231 0.000 1.491 322 M HN 0.245 nan 8.290 nan 0.000 0.459 323 H N 2.258 121.306 119.070 -0.037 0.000 2.623 323 H HA 0.399 4.956 4.556 0.000 0.000 0.299 323 H C -1.052 174.138 175.328 -0.229 0.000 1.052 323 H CA -0.424 55.554 56.048 -0.117 0.000 1.231 323 H CB 0.454 30.259 29.762 0.071 0.000 1.389 323 H HN 0.322 nan 8.280 nan 0.000 0.469 324 V N 5.150 124.857 119.914 -0.346 0.000 2.435 324 V HA 0.356 4.476 4.120 0.001 0.000 0.290 324 V C -0.340 175.424 176.094 -0.551 0.000 1.030 324 V CA -0.576 61.559 62.300 -0.275 0.000 0.881 324 V CB 0.921 32.667 31.823 -0.128 0.000 0.983 324 V HN 0.449 nan 8.190 nan 0.000 0.445 325 F N 3.991 123.984 119.950 0.072 0.000 2.556 325 F HA 0.615 5.142 4.527 0.000 0.000 0.314 325 F C -0.262 175.567 175.800 0.048 0.000 1.106 325 F CA -0.915 57.118 58.000 0.055 0.000 0.911 325 F CB 1.752 40.779 39.000 0.046 0.000 1.190 325 F HN 0.161 nan 8.300 nan 0.000 0.448 326 I N 4.247 124.934 120.570 0.195 0.000 2.331 326 I HA 0.285 4.455 4.170 0.001 0.000 0.292 326 I C -0.638 175.523 176.117 0.074 0.000 0.998 326 I CA -0.694 60.680 61.300 0.122 0.000 1.267 326 I CB 1.279 39.330 38.000 0.086 0.000 1.386 326 I HN 0.389 nan 8.210 nan 0.000 0.476 327 L N 6.759 127.996 121.223 0.023 0.000 2.272 327 L HA 0.420 4.760 4.340 0.001 0.000 0.289 327 L C -0.234 176.522 176.870 -0.190 0.000 1.032 327 L CA -0.151 54.605 54.840 -0.140 0.000 0.810 327 L CB 1.003 42.879 42.059 -0.305 0.000 1.205 327 L HN 0.407 nan 8.230 nan 0.000 0.422 328 D N 3.516 123.817 120.400 -0.165 0.000 2.344 328 D HA 0.032 4.672 4.640 0.001 0.000 0.253 328 D C 0.125 176.322 176.300 -0.172 0.000 1.255 328 D CA 0.317 54.260 54.000 -0.095 0.000 0.894 328 D CB 0.385 41.156 40.800 -0.048 0.000 1.067 328 D HN 0.516 nan 8.370 nan 0.000 0.492 329 Y N 1.297 121.575 120.300 -0.035 0.000 2.490 329 Y HA 0.054 4.605 4.550 0.001 0.000 0.281 329 Y C 0.988 176.861 175.900 -0.045 0.000 1.174 329 Y CA -0.069 58.001 58.100 -0.049 0.000 1.295 329 Y CB 0.333 38.742 38.460 -0.084 0.000 1.062 329 Y HN 0.328 nan 8.280 nan 0.000 0.522 330 D N 1.852 122.297 120.400 0.075 0.000 2.619 330 D HA 0.109 4.749 4.640 0.001 0.000 0.224 330 D C -0.344 175.969 176.300 0.022 0.000 1.133 330 D CA 0.130 54.157 54.000 0.045 0.000 1.017 330 D CB -0.485 40.335 40.800 0.034 0.000 1.077 330 D HN 0.523 nan 8.370 nan 0.000 0.503 331 Q N -0.975 118.840 119.800 0.024 0.000 2.907 331 Q HA 0.267 4.607 4.340 0.001 0.000 0.310 331 Q C -0.894 175.115 176.000 0.014 0.000 0.861 331 Q CA -1.059 54.748 55.803 0.007 0.000 0.769 331 Q CB -0.016 28.713 28.738 -0.014 0.000 1.465 331 Q HN 0.097 nan 8.270 nan 0.000 0.449 332 S N -0.578 115.125 115.700 0.005 0.000 2.589 332 S HA 0.231 4.701 4.470 0.001 0.000 0.265 332 S C -1.849 172.755 174.600 0.008 0.000 1.342 332 S CA -0.347 57.858 58.200 0.008 0.000 1.005 332 S CB 0.408 63.608 63.200 0.001 0.000 0.909 332 S HN 0.558 nan 8.310 nan 0.000 0.555 333 P HA -0.113 nan 4.420 nan 0.000 0.216 333 P C 1.580 178.876 177.300 -0.007 0.000 1.153 333 P CA 2.091 65.200 63.100 0.014 0.000 0.858 333 P CB -0.300 31.408 31.700 0.014 0.000 0.789 334 A N -0.465 122.347 122.820 -0.013 0.000 1.930 334 A HA -0.036 4.284 4.320 0.001 0.000 0.217 334 A C 2.476 180.040 177.584 -0.033 0.000 1.175 334 A CA 1.923 53.946 52.037 -0.024 0.000 0.627 334 A CB -1.797 17.191 19.000 -0.020 0.000 0.815 334 A HN 0.280 nan 8.150 nan 0.000 0.443 335 G N -0.593 108.189 108.800 -0.031 0.000 2.433 335 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 335 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 335 G C 1.614 176.474 174.900 -0.067 0.000 1.186 335 G CA 1.330 46.405 45.100 -0.041 0.000 0.779 335 G HN 0.512 nan 8.290 nan 0.000 0.543 336 C N -0.034 119.222 119.300 -0.074 0.000 2.413 336 C HA -0.021 4.439 4.460 0.001 0.000 0.276 336 C C 2.808 177.723 174.990 -0.125 0.000 1.236 336 C CA 0.982 59.918 59.018 -0.137 0.000 1.735 336 C CB -0.964 26.709 27.740 -0.111 0.000 2.031 336 C HN 0.542 nan 8.230 nan 0.000 0.474 337 R N 1.138 121.592 120.500 -0.078 0.000 2.097 337 R HA -0.179 4.162 4.340 0.001 0.000 0.236 337 R C 1.772 178.025 176.300 -0.079 0.000 1.135 337 R CA 2.393 58.449 56.100 -0.074 0.000 0.934 337 R CB -0.634 29.632 30.300 -0.057 0.000 0.846 337 R HN 0.507 nan 8.270 nan 0.000 0.431 338 D N 0.236 120.596 120.400 -0.068 0.000 2.123 338 D HA -0.152 4.488 4.640 0.001 0.000 0.196 338 D C 1.780 178.035 176.300 -0.074 0.000 0.992 338 D CA 1.458 55.421 54.000 -0.063 0.000 0.833 338 D CB -0.348 40.422 40.800 -0.049 0.000 0.954 338 D HN 0.423 nan 8.370 nan 0.000 0.455 339 A N 1.106 123.872 122.820 -0.089 0.000 1.865 339 A HA -0.173 4.147 4.320 0.001 0.000 0.217 339 A C 2.207 179.721 177.584 -0.116 0.000 1.191 339 A CA 1.340 53.314 52.037 -0.104 0.000 0.623 339 A CB -0.884 18.034 19.000 -0.136 0.000 0.826 339 A HN 0.255 nan 8.150 nan 0.000 0.444 340 L N -0.913 120.230 121.223 -0.133 0.000 2.046 340 L HA -0.096 4.244 4.340 0.001 0.000 0.208 340 L C 2.208 179.009 176.870 -0.116 0.000 1.077 340 L CA 1.981 56.745 54.840 -0.127 0.000 0.747 340 L CB -0.610 41.379 42.059 -0.116 0.000 0.896 340 L HN 0.330 nan 8.230 nan 0.000 0.432 341 L N -0.751 120.412 121.223 -0.100 0.000 2.191 341 L HA -0.171 4.169 4.340 0.001 0.000 0.212 341 L C 2.433 179.247 176.870 -0.095 0.000 1.103 341 L CA 1.590 56.374 54.840 -0.092 0.000 0.769 341 L CB -0.713 41.300 42.059 -0.076 0.000 0.908 341 L HN 0.430 nan 8.230 nan 0.000 0.438 342 Q N -1.108 118.638 119.800 -0.091 0.000 2.245 342 Q HA -0.047 4.293 4.340 0.001 0.000 0.201 342 Q C 2.080 178.017 176.000 -0.105 0.000 0.955 342 Q CA 0.989 56.743 55.803 -0.082 0.000 0.870 342 Q CB 0.032 28.732 28.738 -0.063 0.000 0.945 342 Q HN 0.421 nan 8.270 nan 0.000 0.461 343 L N 0.462 121.602 121.223 -0.138 0.000 2.217 343 L HA -0.107 4.233 4.340 0.001 0.000 0.211 343 L C 2.481 179.149 176.870 -0.336 0.000 1.107 343 L CA 1.878 56.588 54.840 -0.217 0.000 0.783 343 L CB -1.165 40.757 42.059 -0.228 0.000 0.919 343 L HN 0.277 nan 8.230 nan 0.000 0.442 344 T N -4.948 109.456 114.554 -0.250 0.000 2.849 344 T HA -0.194 4.156 4.350 0.001 0.000 0.270 344 T C 2.091 176.671 174.700 -0.201 0.000 1.066 344 T CA 1.464 63.421 62.100 -0.239 0.000 1.130 344 T CB -0.572 68.205 68.868 -0.152 0.000 0.864 344 T HN 0.219 nan 8.240 nan 0.000 0.481 345 S N 1.493 117.102 115.700 -0.152 0.000 2.387 345 S HA 0.006 4.476 4.470 0.001 0.000 0.230 345 S C 2.091 176.635 174.600 -0.094 0.000 1.035 345 S CA 1.267 59.405 58.200 -0.103 0.000 1.014 345 S CB -0.825 62.333 63.200 -0.071 0.000 0.836 345 S HN 0.822 nan 8.310 nan 0.000 0.466 346 G N 0.175 108.904 108.800 -0.118 0.000 3.284 346 G HA2 0.352 4.312 3.960 0.001 0.000 0.236 346 G HA3 0.352 4.312 3.960 0.001 0.000 0.236 346 G C 0.172 175.058 174.900 -0.022 0.000 1.158 346 G CA -0.339 44.742 45.100 -0.031 0.000 0.774 346 G HN 0.316 nan 8.290 nan 0.000 0.545 347 M N 0.765 120.263 119.600 -0.170 0.000 2.255 347 M HA 0.293 4.773 4.480 0.001 0.000 0.336 347 M C -0.233 176.034 176.300 -0.056 0.000 1.135 347 M CA -0.432 54.808 55.300 -0.100 0.000 1.145 347 M CB 2.163 34.627 32.600 -0.228 0.000 1.473 347 M HN -0.252 nan 8.290 nan 0.000 0.462 348 V N 2.830 122.704 119.914 -0.067 0.000 2.461 348 V HA 0.148 4.269 4.120 0.001 0.000 0.275 348 V C 0.094 176.178 176.094 -0.017 0.000 1.047 348 V CA -0.493 61.751 62.300 -0.094 0.000 0.955 348 V CB 0.781 32.469 31.823 -0.224 0.000 0.988 348 V HN 0.803 nan 8.190 nan 0.000 0.471 349 Q N 2.322 122.099 119.800 -0.038 0.000 2.180 349 Q HA 0.704 5.044 4.340 0.001 0.000 0.241 349 Q C 0.064 176.036 176.000 -0.048 0.000 0.970 349 Q CA -0.585 55.195 55.803 -0.039 0.000 0.919 349 Q CB 1.955 30.647 28.738 -0.077 0.000 1.222 349 Q HN 0.926 nan 8.270 nan 0.000 0.482 350 T N -2.912 111.612 114.554 -0.050 0.000 2.883 350 T HA 0.369 4.719 4.350 0.001 0.000 0.296 350 T C -0.698 173.947 174.700 -0.091 0.000 1.117 350 T CA -0.934 61.142 62.100 -0.042 0.000 1.006 350 T CB 1.196 70.103 68.868 0.065 0.000 1.191 350 T HN 0.445 nan 8.240 nan 0.000 0.508 351 H N 0.086 119.190 119.070 0.057 0.000 2.505 351 H HA 0.554 5.110 4.556 0.001 0.000 0.355 351 H C 0.632 175.999 175.328 0.065 0.000 1.179 351 H CA -0.228 55.851 56.048 0.052 0.000 1.343 351 H CB 1.730 31.518 29.762 0.044 0.000 1.501 351 H HN 0.727 nan 8.280 nan 0.000 0.569 352 V N -0.273 119.762 119.914 0.202 0.000 3.134 352 V HA 0.211 4.331 4.120 0.001 0.000 0.313 352 V C 1.305 177.488 176.094 0.148 0.000 1.069 352 V CA -0.111 62.287 62.300 0.163 0.000 1.048 352 V CB 1.220 33.126 31.823 0.139 0.000 1.119 352 V HN 0.973 nan 8.190 nan 0.000 0.461 353 T N -1.094 113.543 114.554 0.137 0.000 2.939 353 T HA 0.106 4.456 4.350 0.001 0.000 0.254 353 T C 0.891 175.632 174.700 0.070 0.000 1.041 353 T CA 0.923 63.073 62.100 0.082 0.000 1.142 353 T CB -0.466 68.426 68.868 0.041 0.000 0.874 353 T HN 1.181 nan 8.240 nan 0.000 0.452 354 T N -0.500 114.115 114.554 0.103 0.000 2.950 354 T HA 0.528 4.878 4.350 0.001 0.000 0.288 354 T C -2.091 172.661 174.700 0.087 0.000 1.035 354 T CA -2.048 60.101 62.100 0.082 0.000 1.028 354 T CB 2.098 71.017 68.868 0.086 0.000 1.109 354 T HN -0.148 nan 8.240 nan 0.000 0.514 355 P HA 0.067 nan 4.420 nan 0.000 0.218 355 P C 1.369 178.701 177.300 0.053 0.000 1.149 355 P CA 1.026 64.156 63.100 0.051 0.000 0.817 355 P CB -0.404 31.317 31.700 0.035 0.000 0.785 356 G N -0.616 108.221 108.800 0.061 0.000 3.262 356 G HA2 0.024 3.985 3.960 0.001 0.000 0.228 356 G HA3 0.024 3.985 3.960 0.001 0.000 0.228 356 G C 1.322 176.263 174.900 0.068 0.000 1.197 356 G CA -0.015 45.119 45.100 0.056 0.000 0.819 356 G HN 0.147 nan 8.290 nan 0.000 0.531 357 S N 0.514 116.272 115.700 0.097 0.000 2.387 357 S HA -0.030 4.440 4.470 0.001 0.000 0.226 357 S C 2.360 176.910 174.600 -0.083 0.000 1.026 357 S CA 0.185 58.430 58.200 0.075 0.000 0.972 357 S CB -0.031 63.316 63.200 0.244 0.000 0.814 357 S HN 0.291 nan 8.310 nan 0.000 0.477 358 I N 2.229 122.785 120.570 -0.024 0.000 2.099 358 I HA -0.113 4.058 4.170 0.001 0.000 0.239 358 I C -0.764 175.314 176.117 -0.065 0.000 1.066 358 I CA 1.531 62.806 61.300 -0.042 0.000 1.324 358 I CB -2.874 35.118 38.000 -0.013 0.000 1.037 358 I HN 0.168 nan 8.210 nan 0.000 0.401 359 P HA -0.104 nan 4.420 nan 0.000 0.215 359 P C 1.796 179.060 177.300 -0.061 0.000 1.153 359 P CA 1.784 64.860 63.100 -0.040 0.000 0.853 359 P CB -0.256 31.434 31.700 -0.017 0.000 0.788 360 T N -0.151 114.353 114.554 -0.083 0.000 2.684 360 T HA -0.143 4.207 4.350 0.001 0.000 0.267 360 T C 1.797 176.400 174.700 -0.163 0.000 1.036 360 T CA 1.243 63.276 62.100 -0.111 0.000 1.148 360 T CB -0.983 67.803 68.868 -0.138 0.000 0.863 360 T HN 0.090 nan 8.240 nan 0.000 0.436 361 I N 0.591 121.021 120.570 -0.234 0.000 2.226 361 I HA -0.190 3.980 4.170 0.001 0.000 0.245 361 I C 2.737 178.780 176.117 -0.124 0.000 1.100 361 I CA 0.758 61.944 61.300 -0.190 0.000 1.374 361 I CB -0.525 37.368 38.000 -0.179 0.000 1.057 361 I HN 0.336 nan 8.210 nan 0.000 0.413 362 C N 0.768 120.008 119.300 -0.100 0.000 2.436 362 C HA -0.185 4.276 4.460 0.001 0.000 0.277 362 C C 2.521 177.474 174.990 -0.061 0.000 1.241 362 C CA 1.003 59.974 59.018 -0.078 0.000 1.721 362 C CB -0.985 26.720 27.740 -0.057 0.000 2.043 362 C HN 0.527 nan 8.230 nan 0.000 0.472 363 D N 0.602 120.973 120.400 -0.048 0.000 2.106 363 D HA -0.134 4.506 4.640 0.001 0.000 0.191 363 D C 2.050 178.340 176.300 -0.017 0.000 0.997 363 D CA 0.881 54.865 54.000 -0.026 0.000 0.834 363 D CB -0.774 40.017 40.800 -0.016 0.000 0.956 363 D HN 0.242 nan 8.370 nan 0.000 0.448 364 L N 1.197 122.407 121.223 -0.022 0.000 1.978 364 L HA -0.257 4.084 4.340 0.001 0.000 0.218 364 L C 2.238 179.116 176.870 0.013 0.000 1.075 364 L CA 2.325 57.170 54.840 0.009 0.000 0.767 364 L CB -1.289 40.768 42.059 -0.003 0.000 0.890 364 L HN 0.013 nan 8.230 nan 0.000 0.434 365 A N -0.281 122.498 122.820 -0.068 0.000 1.873 365 A HA -0.289 4.032 4.320 0.001 0.000 0.218 365 A C 2.297 179.851 177.584 -0.049 0.000 1.193 365 A CA 2.182 54.141 52.037 -0.130 0.000 0.629 365 A CB -0.601 18.270 19.000 -0.214 0.000 0.826 365 A HN 0.465 nan 8.150 nan 0.000 0.447 366 R N -0.661 119.817 120.500 -0.036 0.000 2.083 366 R HA -0.075 4.266 4.340 0.001 0.000 0.237 366 R C 2.344 178.655 176.300 0.017 0.000 1.137 366 R CA 2.116 58.209 56.100 -0.013 0.000 0.951 366 R CB -1.115 29.176 30.300 -0.015 0.000 0.851 366 R HN 0.597 nan 8.270 nan 0.000 0.434 367 T N 0.458 115.029 114.554 0.027 0.000 2.788 367 T HA -0.151 4.199 4.350 0.001 0.000 0.268 367 T C 1.408 176.138 174.700 0.049 0.000 1.044 367 T CA 1.361 63.478 62.100 0.028 0.000 1.139 367 T CB -0.374 68.509 68.868 0.025 0.000 0.867 367 T HN 0.157 nan 8.240 nan 0.000 0.454 368 F N 2.389 122.292 119.950 -0.077 0.000 2.102 368 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 368 F C 2.493 178.222 175.800 -0.117 0.000 1.105 368 F CA 0.906 58.850 58.000 -0.093 0.000 1.239 368 F CB -0.866 38.071 39.000 -0.104 0.000 0.991 368 F HN 0.144 nan 8.300 nan 0.000 0.474 369 A N 0.518 123.483 122.820 0.241 0.000 1.908 369 A HA -0.229 4.091 4.320 0.001 0.000 0.218 369 A C 2.438 180.029 177.584 0.011 0.000 1.181 369 A CA 1.882 53.975 52.037 0.093 0.000 0.627 369 A CB -0.902 18.093 19.000 -0.008 0.000 0.818 369 A HN 0.480 nan 8.150 nan 0.000 0.445 370 R N -0.582 119.918 120.500 -0.001 0.000 2.075 370 R HA -0.125 4.215 4.340 0.001 0.000 0.232 370 R C 2.201 178.472 176.300 -0.049 0.000 1.126 370 R CA 1.706 57.793 56.100 -0.021 0.000 0.963 370 R CB -0.214 30.078 30.300 -0.014 0.000 0.858 370 R HN 0.720 nan 8.270 nan 0.000 0.435 371 E N -0.478 119.675 120.200 -0.078 0.000 2.086 371 E HA -0.099 4.251 4.350 0.001 0.000 0.190 371 E C 1.742 178.246 176.600 -0.160 0.000 0.975 371 E CA 0.981 57.314 56.400 -0.112 0.000 0.813 371 E CB 0.200 29.824 29.700 -0.126 0.000 0.768 371 E HN 0.330 nan 8.360 nan 0.000 0.457 372 M N -0.908 118.538 119.600 -0.257 0.000 2.571 372 M HA 0.189 4.670 4.480 0.001 0.000 0.259 372 M C 1.027 177.201 176.300 -0.211 0.000 1.205 372 M CA 0.269 55.382 55.300 -0.311 0.000 1.138 372 M CB 1.285 33.489 32.600 -0.661 0.000 1.329 372 M HN 0.001 nan 8.290 nan 0.000 0.503 373 G N 1.833 110.566 108.800 -0.112 0.000 3.161 373 G HA2 0.399 4.360 3.960 0.001 0.000 0.293 373 G HA3 0.399 4.360 3.960 0.001 0.000 0.293 373 G C -0.565 174.305 174.900 -0.050 0.000 0.893 373 G CA -0.060 44.998 45.100 -0.069 0.000 1.756 373 G HN 0.295 nan 8.290 nan 0.000 0.549 374 E N 0.000 120.165 120.200 -0.059 0.000 2.725 374 E HA 0.000 4.350 4.350 0.001 0.000 0.291 374 E CA 0.000 56.380 56.400 -0.032 0.000 0.976 374 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 374 E HN 0.000 nan 8.360 nan 0.000 0.440