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 1t6c_1_A DATA FIRST_RESID 7 DATA SEQUENCE PIMRVASIDI GSYSVRLTIA QIKDGKLSII LERGRITSLG TKVKETGRLQ DATA SEQUENCE EDRIEETIQV LKEYKKLIDE FKVERVKAVA TEAIRRAKNA EEFLERVKRE DATA SEQUENCE VGLVVEVITP EQEGRYAYLA VAYSLKPEGE VCVVDQGGGS TEYVFGKGYK DATA SEQUENCE VREVISLPIG IVNLTETFFK QDPPTEEEVK RFFEFLEKEL SKVKKPVDTI DATA SEQUENCE VGLGGTITTL AALEYNVYPY DPQKVHGKVL TYGQIKKWFD TFKEIPSEER DATA SEQUENCE SKRFRQVEDR RAKVILAGIG IFLKTLEIFE KDCLIVSDWG LREGVLVSEV DATA SEQUENCE LKENHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.309 177.300 0.015 0.000 1.155 7 P CA 0.000 63.107 63.100 0.012 0.000 0.800 7 P CB 0.000 31.706 31.700 0.010 0.000 0.726 8 I N 1.564 122.143 120.570 0.016 0.000 2.775 8 I HA 0.178 4.349 4.170 0.001 0.000 0.290 8 I C 0.834 176.962 176.117 0.018 0.000 1.203 8 I CA 0.450 61.761 61.300 0.019 0.000 1.433 8 I CB 0.250 38.262 38.000 0.021 0.000 1.354 8 I HN 0.374 nan 8.210 nan 0.000 0.579 9 M N 6.678 126.289 119.600 0.019 0.000 2.464 9 M HA 0.505 4.986 4.480 0.001 0.000 0.308 9 M C -1.086 175.225 176.300 0.018 0.000 1.127 9 M CA -0.573 54.737 55.300 0.016 0.000 0.913 9 M CB 1.651 34.258 32.600 0.011 0.000 1.689 9 M HN 0.463 nan 8.290 nan 0.000 0.445 10 R N 2.471 122.984 120.500 0.022 0.000 2.474 10 R HA 0.759 5.099 4.340 0.001 0.000 0.295 10 R C -1.050 175.248 176.300 -0.003 0.000 0.980 10 R CA -0.799 55.314 56.100 0.021 0.000 0.934 10 R CB 1.901 32.236 30.300 0.059 0.000 1.101 10 R HN 0.614 nan 8.270 nan 0.000 0.469 11 V N -1.468 118.428 119.914 -0.031 0.000 3.078 11 V HA 0.997 5.118 4.120 0.001 0.000 0.311 11 V C -0.938 175.100 176.094 -0.093 0.000 1.138 11 V CA -0.926 61.342 62.300 -0.054 0.000 1.007 11 V CB 1.994 33.783 31.823 -0.056 0.000 1.045 11 V HN 0.897 nan 8.190 nan 0.000 0.432 12 A N 2.101 124.858 122.820 -0.105 0.000 2.556 12 A HA 1.007 5.327 4.320 0.001 0.000 0.294 12 A C -0.365 177.130 177.584 -0.149 0.000 1.091 12 A CA -0.068 51.881 52.037 -0.146 0.000 0.704 12 A CB 1.930 20.839 19.000 -0.152 0.000 1.300 12 A HN 2.263 nan 8.150 nan 0.000 0.406 13 S N 0.302 115.892 115.700 -0.183 0.000 2.542 13 S HA 0.847 5.318 4.470 0.001 0.000 0.293 13 S C -0.874 173.625 174.600 -0.169 0.000 1.089 13 S CA -0.520 57.571 58.200 -0.181 0.000 0.961 13 S CB 1.123 64.189 63.200 -0.224 0.000 1.062 13 S HN 0.649 nan 8.310 nan 0.000 0.483 14 I N 2.023 122.520 120.570 -0.121 0.000 2.498 14 I HA 0.439 4.609 4.170 0.001 0.000 0.290 14 I C -1.381 174.705 176.117 -0.051 0.000 1.032 14 I CA -0.445 60.818 61.300 -0.062 0.000 1.073 14 I CB 2.072 40.080 38.000 0.012 0.000 1.251 14 I HN 0.738 nan 8.210 nan 0.000 0.426 15 D N 7.693 128.076 120.400 -0.028 0.000 2.492 15 D HA 0.474 5.114 4.640 0.001 0.000 0.248 15 D C -1.012 175.310 176.300 0.037 0.000 1.101 15 D CA -0.241 53.750 54.000 -0.015 0.000 0.840 15 D CB 1.342 42.115 40.800 -0.044 0.000 1.209 15 D HN 0.316 nan 8.370 nan 0.000 0.524 16 I N 3.562 124.163 120.570 0.052 0.000 2.328 16 I HA 0.552 4.723 4.170 0.001 0.000 0.287 16 I C 0.972 177.130 176.117 0.068 0.000 1.012 16 I CA -0.574 60.773 61.300 0.079 0.000 1.195 16 I CB 1.670 39.746 38.000 0.126 0.000 1.350 16 I HN 0.409 nan 8.210 nan 0.000 0.464 17 G N 2.803 111.640 108.800 0.060 0.000 3.016 17 G HA2 0.312 4.273 3.960 0.001 0.000 0.270 17 G HA3 0.312 4.273 3.960 0.001 0.000 0.270 17 G C 0.415 175.348 174.900 0.056 0.000 1.352 17 G CA -0.342 44.795 45.100 0.062 0.000 1.060 17 G HN 0.480 nan 8.290 nan 0.000 0.538 18 S N -1.408 114.332 115.700 0.067 0.000 2.481 18 S HA -0.030 4.440 4.470 0.001 0.000 0.231 18 S C 1.224 175.897 174.600 0.122 0.000 0.996 18 S CA 0.866 59.103 58.200 0.062 0.000 0.942 18 S CB -0.159 63.074 63.200 0.054 0.000 0.768 18 S HN 0.529 nan 8.310 nan 0.000 0.520 19 Y N 0.784 121.074 120.300 -0.017 0.000 2.594 19 Y HA 0.454 5.005 4.550 0.001 0.000 0.283 19 Y C 0.875 176.767 175.900 -0.014 0.000 1.140 19 Y CA 0.103 58.192 58.100 -0.018 0.000 1.261 19 Y CB 0.159 38.611 38.460 -0.013 0.000 1.358 19 Y HN 0.162 nan 8.280 nan 0.000 0.513 20 S N -0.297 115.412 115.700 0.016 0.000 2.599 20 S HA 0.741 5.212 4.470 0.001 0.000 0.294 20 S C -1.768 172.837 174.600 0.007 0.000 1.094 20 S CA -0.595 57.567 58.200 -0.063 0.000 0.931 20 S CB 1.432 64.628 63.200 -0.007 0.000 1.093 20 S HN -0.116 nan 8.310 nan 0.000 0.488 21 V N 3.996 123.919 119.914 0.015 0.000 2.409 21 V HA 0.620 4.741 4.120 0.001 0.000 0.291 21 V C -0.270 175.944 176.094 0.200 0.000 1.020 21 V CA -0.644 61.708 62.300 0.087 0.000 0.848 21 V CB 1.365 33.209 31.823 0.034 0.000 0.990 21 V HN 0.805 nan 8.190 nan 0.000 0.430 22 R N 3.577 124.178 120.500 0.169 0.000 2.686 22 R HA 0.726 5.067 4.340 0.001 0.000 0.286 22 R C -1.592 174.646 176.300 -0.103 0.000 0.969 22 R CA -0.899 55.231 56.100 0.051 0.000 0.898 22 R CB 2.589 32.877 30.300 -0.019 0.000 1.183 22 R HN 0.552 nan 8.270 nan 0.000 0.456 23 L N 0.998 121.977 121.223 -0.408 0.000 2.341 23 L HA 0.568 4.909 4.340 0.001 0.000 0.278 23 L C -1.126 175.504 176.870 -0.399 0.000 1.005 23 L CA 0.173 54.672 54.840 -0.568 0.000 0.818 23 L CB 2.395 43.745 42.059 -1.182 0.000 1.259 23 L HN 0.565 nan 8.230 nan 0.000 0.418 24 T N 6.238 120.597 114.554 -0.324 0.000 2.879 24 T HA 0.625 4.976 4.350 0.001 0.000 0.290 24 T C -0.472 174.062 174.700 -0.276 0.000 0.993 24 T CA -0.183 61.744 62.100 -0.288 0.000 0.975 24 T CB 0.958 69.661 68.868 -0.276 0.000 0.981 24 T HN 0.443 nan 8.240 nan 0.000 0.439 25 I N 2.456 122.864 120.570 -0.271 0.000 2.433 25 I HA 0.765 4.936 4.170 0.001 0.000 0.292 25 I C -0.006 176.016 176.117 -0.160 0.000 1.001 25 I CA -0.991 60.168 61.300 -0.236 0.000 1.119 25 I CB 1.724 39.522 38.000 -0.337 0.000 1.289 25 I HN 0.707 nan 8.210 nan 0.000 0.438 26 A N 5.462 128.213 122.820 -0.114 0.000 2.454 26 A HA 0.746 5.066 4.320 0.001 0.000 0.302 26 A C -1.014 176.559 177.584 -0.018 0.000 1.079 26 A CA -0.651 51.347 52.037 -0.065 0.000 0.731 26 A CB 1.772 20.715 19.000 -0.095 0.000 1.299 26 A HN 0.730 nan 8.150 nan 0.000 0.413 27 Q N 0.233 120.043 119.800 0.016 0.000 2.266 27 Q HA 0.744 5.085 4.340 0.001 0.000 0.261 27 Q C -1.103 174.914 176.000 0.027 0.000 0.985 27 Q CA -0.555 55.266 55.803 0.029 0.000 0.873 27 Q CB 1.933 30.699 28.738 0.046 0.000 1.306 27 Q HN 0.639 nan 8.270 nan 0.000 0.447 28 I N 1.628 122.210 120.570 0.021 0.000 2.362 28 I HA 0.395 4.566 4.170 0.001 0.000 0.289 28 I C -1.417 174.721 176.117 0.034 0.000 0.994 28 I CA -0.412 60.903 61.300 0.025 0.000 1.158 28 I CB 1.302 39.305 38.000 0.004 0.000 1.315 28 I HN 0.757 nan 8.210 nan 0.000 0.451 29 K N 6.466 126.895 120.400 0.047 0.000 2.613 29 K HA 0.307 4.627 4.320 0.001 0.000 0.248 29 K C -1.055 175.575 176.600 0.050 0.000 0.959 29 K CA -0.381 55.932 56.287 0.043 0.000 0.855 29 K CB 0.749 33.274 32.500 0.042 0.000 1.143 29 K HN 0.659 nan 8.250 nan 0.000 0.437 30 D N 3.779 124.205 120.400 0.042 0.000 2.697 30 D HA -0.194 4.446 4.640 0.001 0.000 0.238 30 D C 0.737 177.076 176.300 0.065 0.000 1.152 30 D CA 1.896 55.923 54.000 0.045 0.000 0.666 30 D CB -1.161 39.662 40.800 0.038 0.000 1.037 30 D HN 1.121 nan 8.370 nan 0.000 0.423 31 G N -0.903 107.941 108.800 0.073 0.000 2.184 31 G HA2 -0.400 3.560 3.960 0.001 0.000 0.264 31 G HA3 -0.400 3.560 3.960 0.001 0.000 0.264 31 G C 0.442 175.453 174.900 0.185 0.000 0.975 31 G CA 0.834 46.002 45.100 0.113 0.000 0.642 31 G HN 0.508 nan 8.290 nan 0.000 0.536 32 K N 0.627 121.120 120.400 0.156 0.000 2.234 32 K HA 0.689 5.009 4.320 0.001 0.000 0.277 32 K C 0.278 176.978 176.600 0.167 0.000 1.038 32 K CA -0.597 55.818 56.287 0.212 0.000 0.888 32 K CB 0.569 33.153 32.500 0.140 0.000 1.091 32 K HN 0.193 nan 8.250 nan 0.000 0.467 33 L N 3.737 125.085 121.223 0.208 0.000 2.290 33 L HA 0.341 4.682 4.340 0.001 0.000 0.284 33 L C -0.351 176.662 176.870 0.239 0.000 1.078 33 L CA -0.303 54.619 54.840 0.136 0.000 0.815 33 L CB 1.119 43.193 42.059 0.025 0.000 1.162 33 L HN 0.796 nan 8.230 nan 0.000 0.435 34 S N 4.437 120.230 115.700 0.155 0.000 2.521 34 S HA 0.583 5.054 4.470 0.001 0.000 0.295 34 S C -0.604 174.057 174.600 0.101 0.000 1.098 34 S CA -1.008 57.286 58.200 0.157 0.000 0.999 34 S CB 1.902 65.166 63.200 0.108 0.000 1.034 34 S HN 0.279 nan 8.310 nan 0.000 0.483 35 I N 3.889 124.522 120.570 0.106 0.000 2.416 35 I HA 0.228 4.398 4.170 0.001 0.000 0.288 35 I C 1.147 177.276 176.117 0.020 0.000 1.051 35 I CA -0.663 60.646 61.300 0.015 0.000 1.375 35 I CB 0.373 38.371 38.000 -0.004 0.000 1.407 35 I HN 0.954 nan 8.210 nan 0.000 0.516 36 I N 3.670 124.238 120.570 -0.004 0.000 4.288 36 I HA 0.404 4.575 4.170 0.001 0.000 0.331 36 I C -0.049 176.070 176.117 0.003 0.000 1.322 36 I CA 0.172 61.493 61.300 0.034 0.000 1.149 36 I CB 0.863 38.920 38.000 0.095 0.000 1.112 36 I HN 0.358 nan 8.210 nan 0.000 0.403 37 L N 1.138 122.297 121.223 -0.107 0.000 2.549 37 L HA 0.574 4.914 4.340 0.001 0.000 0.259 37 L C -1.740 175.001 176.870 -0.215 0.000 0.934 37 L CA 0.035 54.767 54.840 -0.180 0.000 0.865 37 L CB 2.443 44.267 42.059 -0.392 0.000 1.352 37 L HN 0.134 nan 8.230 nan 0.000 0.410 38 E N 4.112 124.205 120.200 -0.179 0.000 2.292 38 E HA 0.672 5.023 4.350 0.001 0.000 0.272 38 E C -1.323 175.166 176.600 -0.186 0.000 0.881 38 E CA -1.062 55.221 56.400 -0.195 0.000 0.754 38 E CB 2.166 31.787 29.700 -0.133 0.000 1.201 38 E HN 0.277 nan 8.360 nan 0.000 0.425 39 R N 0.689 121.037 120.500 -0.252 0.000 2.795 39 R HA 0.759 5.100 4.340 0.001 0.000 0.275 39 R C -0.605 175.645 176.300 -0.084 0.000 0.981 39 R CA -1.083 54.918 56.100 -0.165 0.000 0.917 39 R CB 2.159 32.334 30.300 -0.210 0.000 1.202 39 R HN 0.699 nan 8.270 nan 0.000 0.469 40 G N 1.193 110.019 108.800 0.043 0.000 2.731 40 G HA2 0.654 4.615 3.960 0.001 0.000 0.298 40 G HA3 0.654 4.615 3.960 0.001 0.000 0.298 40 G C -1.310 173.639 174.900 0.082 0.000 1.424 40 G CA -0.504 44.640 45.100 0.073 0.000 1.029 40 G HN 0.219 nan 8.290 nan 0.000 0.518 41 R N 0.691 121.229 120.500 0.063 0.000 2.574 41 R HA 0.478 4.818 4.340 0.001 0.000 0.288 41 R C -0.504 175.727 176.300 -0.116 0.000 1.004 41 R CA -0.681 55.402 56.100 -0.028 0.000 0.895 41 R CB 2.143 32.413 30.300 -0.050 0.000 1.191 41 R HN 0.490 nan 8.270 nan 0.000 0.444 42 I N 2.245 122.695 120.570 -0.199 0.000 2.337 42 I HA 0.141 4.311 4.170 0.001 0.000 0.291 42 I C 0.968 176.922 176.117 -0.271 0.000 1.046 42 I CA 0.168 61.240 61.300 -0.380 0.000 1.324 42 I CB 1.362 39.027 38.000 -0.559 0.000 1.409 42 I HN 0.815 nan 8.210 nan 0.000 0.494 43 T N -0.575 113.835 114.554 -0.240 0.000 3.040 43 T HA 0.075 4.426 4.350 0.001 0.000 0.266 43 T C 0.673 175.287 174.700 -0.143 0.000 1.005 43 T CA -0.106 61.894 62.100 -0.165 0.000 0.906 43 T CB 0.136 68.925 68.868 -0.131 0.000 1.082 43 T HN 0.503 nan 8.240 nan 0.000 0.531 44 S N 1.092 116.700 115.700 -0.152 0.000 3.550 44 S HA -0.143 4.327 4.470 0.001 0.000 0.372 44 S C 0.933 175.502 174.600 -0.052 0.000 0.966 44 S CA 0.491 58.660 58.200 -0.050 0.000 1.229 44 S CB -2.309 60.877 63.200 -0.023 0.000 0.917 44 S HN 0.622 nan 8.310 nan 0.000 0.496 45 L N 0.187 121.365 121.223 -0.075 0.000 2.191 45 L HA -0.106 4.234 4.340 0.001 0.000 0.212 45 L C 2.453 179.273 176.870 -0.083 0.000 1.103 45 L CA 1.586 56.352 54.840 -0.123 0.000 0.769 45 L CB -0.553 41.404 42.059 -0.170 0.000 0.908 45 L HN 0.676 nan 8.230 nan 0.000 0.438 46 G N -1.204 107.580 108.800 -0.027 0.000 2.776 46 G HA2 -0.100 3.861 3.960 0.001 0.000 0.209 46 G HA3 -0.100 3.861 3.960 0.001 0.000 0.209 46 G C 0.641 175.533 174.900 -0.013 0.000 1.145 46 G CA -0.059 45.033 45.100 -0.012 0.000 0.791 46 G HN 0.217 nan 8.290 nan 0.000 0.530 47 T N 1.310 115.853 114.554 -0.018 0.000 2.792 47 T HA 0.166 4.516 4.350 0.001 0.000 0.286 47 T C 0.842 175.527 174.700 -0.024 0.000 0.970 47 T CA 0.442 62.533 62.100 -0.016 0.000 1.187 47 T CB 0.244 69.099 68.868 -0.022 0.000 0.915 47 T HN 0.484 nan 8.240 nan 0.000 0.529 48 K N 1.112 121.502 120.400 -0.016 0.000 3.341 48 K HA -0.184 4.137 4.320 0.001 0.000 0.305 48 K C 1.113 177.702 176.600 -0.019 0.000 1.270 48 K CA 0.234 56.511 56.287 -0.017 0.000 0.897 48 K CB -1.804 30.685 32.500 -0.019 0.000 1.264 48 K HN 0.442 nan 8.250 nan 0.000 0.468 49 V N 0.436 120.338 119.914 -0.020 0.000 2.407 49 V HA -0.209 3.912 4.120 0.001 0.000 0.245 49 V C 2.436 178.522 176.094 -0.013 0.000 1.041 49 V CA 1.846 64.134 62.300 -0.019 0.000 1.040 49 V CB -0.233 31.578 31.823 -0.020 0.000 0.671 49 V HN 0.313 nan 8.190 nan 0.000 0.455 50 K N 0.127 120.520 120.400 -0.011 0.000 2.032 50 K HA -0.262 4.058 4.320 0.001 0.000 0.209 50 K C 2.147 178.741 176.600 -0.011 0.000 1.048 50 K CA 2.175 58.455 56.287 -0.011 0.000 0.927 50 K CB -0.012 32.480 32.500 -0.012 0.000 0.712 50 K HN 0.498 nan 8.250 nan 0.000 0.441 51 E N -0.856 119.337 120.200 -0.012 0.000 2.072 51 E HA -0.103 4.248 4.350 0.001 0.000 0.190 51 E C 1.799 178.393 176.600 -0.010 0.000 0.982 51 E CA 1.843 58.236 56.400 -0.011 0.000 0.803 51 E CB 0.015 29.708 29.700 -0.012 0.000 0.755 51 E HN 0.495 nan 8.360 nan 0.000 0.453 52 T N -4.016 110.531 114.554 -0.011 0.000 3.040 52 T HA 0.300 4.651 4.350 0.001 0.000 0.250 52 T C 1.631 176.326 174.700 -0.009 0.000 1.058 52 T CA 0.328 62.422 62.100 -0.010 0.000 0.988 52 T CB 0.559 69.419 68.868 -0.013 0.000 0.993 52 T HN 0.259 nan 8.240 nan 0.000 0.519 53 G N 1.673 110.467 108.800 -0.009 0.000 2.168 53 G HA2 -0.274 3.687 3.960 0.001 0.000 0.263 53 G HA3 -0.274 3.687 3.960 0.001 0.000 0.263 53 G C 0.095 174.991 174.900 -0.007 0.000 0.977 53 G CA 0.332 45.429 45.100 -0.006 0.000 0.659 53 G HN 0.737 nan 8.290 nan 0.000 0.533 54 R N -1.041 119.451 120.500 -0.014 0.000 2.795 54 R HA 0.645 4.985 4.340 0.001 0.000 0.275 54 R C 0.185 176.462 176.300 -0.038 0.000 0.981 54 R CA -1.089 55.000 56.100 -0.019 0.000 0.917 54 R CB 1.325 31.616 30.300 -0.015 0.000 1.202 54 R HN 0.132 nan 8.270 nan 0.000 0.469 55 L N 2.910 124.099 121.223 -0.057 0.000 2.416 55 L HA 0.132 4.473 4.340 0.001 0.000 0.272 55 L C 0.337 177.153 176.870 -0.089 0.000 1.161 55 L CA -0.375 54.402 54.840 -0.105 0.000 0.845 55 L CB 0.394 42.340 42.059 -0.190 0.000 1.119 55 L HN 0.290 nan 8.230 nan 0.000 0.464 56 Q N 2.354 122.100 119.800 -0.091 0.000 2.327 56 Q HA 0.068 4.409 4.340 0.001 0.000 0.254 56 Q C 0.839 176.792 176.000 -0.077 0.000 0.952 56 Q CA -0.280 55.482 55.803 -0.068 0.000 0.884 56 Q CB 1.287 29.991 28.738 -0.057 0.000 1.224 56 Q HN 0.462 nan 8.270 nan 0.000 0.422 57 E N 1.764 121.933 120.200 -0.051 0.000 2.110 57 E HA -0.187 4.164 4.350 0.001 0.000 0.193 57 E C 1.203 177.776 176.600 -0.046 0.000 0.988 57 E CA 1.377 57.753 56.400 -0.041 0.000 0.804 57 E CB 0.110 29.797 29.700 -0.021 0.000 0.745 57 E HN 0.680 nan 8.360 nan 0.000 0.458 58 D N 0.379 120.751 120.400 -0.046 0.000 2.178 58 D HA -0.169 4.472 4.640 0.001 0.000 0.202 58 D C 1.644 177.906 176.300 -0.063 0.000 0.974 58 D CA 0.670 54.643 54.000 -0.045 0.000 0.841 58 D CB -0.197 40.581 40.800 -0.038 0.000 0.953 58 D HN 0.003 nan 8.370 nan 0.000 0.478 59 R N 0.439 120.888 120.500 -0.085 0.000 2.090 59 R HA 0.143 4.483 4.340 0.001 0.000 0.228 59 R C 2.673 178.878 176.300 -0.158 0.000 1.110 59 R CA 0.145 56.175 56.100 -0.117 0.000 0.973 59 R CB -0.742 29.480 30.300 -0.130 0.000 0.869 59 R HN 0.351 nan 8.270 nan 0.000 0.440 60 I N 1.313 121.778 120.570 -0.175 0.000 2.179 60 I HA -0.247 3.923 4.170 0.001 0.000 0.242 60 I C 2.257 178.359 176.117 -0.025 0.000 1.088 60 I CA 1.358 62.552 61.300 -0.176 0.000 1.357 60 I CB -0.187 37.752 38.000 -0.101 0.000 1.051 60 I HN 0.096 nan 8.210 nan 0.000 0.409 61 E N 0.382 120.568 120.200 -0.023 0.000 2.072 61 E HA -0.264 4.087 4.350 0.001 0.000 0.191 61 E C 1.983 178.572 176.600 -0.019 0.000 0.985 61 E CA 1.099 57.497 56.400 -0.003 0.000 0.801 61 E CB -0.242 29.450 29.700 -0.012 0.000 0.750 61 E HN 0.539 nan 8.360 nan 0.000 0.452 62 E N 0.316 120.490 120.200 -0.044 0.000 2.077 62 E HA -0.131 4.220 4.350 0.001 0.000 0.193 62 E C 1.784 178.344 176.600 -0.066 0.000 0.989 62 E CA 1.443 57.807 56.400 -0.060 0.000 0.800 62 E CB 0.153 29.809 29.700 -0.074 0.000 0.746 62 E HN 0.084 nan 8.360 nan 0.000 0.452 63 T N 1.086 115.609 114.554 -0.052 0.000 2.746 63 T HA -0.108 4.242 4.350 0.001 0.000 0.267 63 T C 1.861 176.575 174.700 0.022 0.000 1.039 63 T CA 1.154 63.240 62.100 -0.023 0.000 1.142 63 T CB -0.148 68.719 68.868 -0.002 0.000 0.866 63 T HN 0.184 nan 8.240 nan 0.000 0.444 64 I N 0.996 121.612 120.570 0.077 0.000 2.226 64 I HA -0.203 3.968 4.170 0.001 0.000 0.245 64 I C 2.821 178.920 176.117 -0.030 0.000 1.100 64 I CA 1.174 62.503 61.300 0.049 0.000 1.374 64 I CB -0.324 37.718 38.000 0.071 0.000 1.057 64 I HN 0.182 nan 8.210 nan 0.000 0.413 65 Q N 0.851 120.623 119.800 -0.047 0.000 2.124 65 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 65 Q C 2.109 178.030 176.000 -0.132 0.000 0.977 65 Q CA 1.749 57.509 55.803 -0.070 0.000 0.850 65 Q CB -0.450 28.253 28.738 -0.058 0.000 0.901 65 Q HN 0.354 nan 8.270 nan 0.000 0.429 66 V N 0.360 120.156 119.914 -0.197 0.000 2.343 66 V HA -0.247 3.874 4.120 0.001 0.000 0.247 66 V C 2.299 178.059 176.094 -0.555 0.000 1.051 66 V CA 1.640 63.699 62.300 -0.401 0.000 1.036 66 V CB -0.541 31.015 31.823 -0.445 0.000 0.654 66 V HN 0.346 nan 8.190 nan 0.000 0.451 67 L N -0.637 120.394 121.223 -0.319 0.000 2.093 67 L HA -0.174 4.167 4.340 0.001 0.000 0.208 67 L C 2.561 179.377 176.870 -0.090 0.000 1.085 67 L CA 1.571 56.297 54.840 -0.190 0.000 0.755 67 L CB -0.599 41.417 42.059 -0.071 0.000 0.904 67 L HN 0.281 nan 8.230 nan 0.000 0.435 68 K N 0.196 120.548 120.400 -0.081 0.000 2.057 68 K HA -0.202 4.119 4.320 0.001 0.000 0.207 68 K C 1.988 178.580 176.600 -0.013 0.000 1.049 68 K CA 1.545 57.811 56.287 -0.035 0.000 0.931 68 K CB -0.120 32.361 32.500 -0.032 0.000 0.714 68 K HN 0.357 nan 8.250 nan 0.000 0.440 69 E N -0.254 119.918 120.200 -0.047 0.000 2.110 69 E HA -0.175 4.175 4.350 0.001 0.000 0.193 69 E C 1.880 178.569 176.600 0.147 0.000 0.988 69 E CA 1.061 57.471 56.400 0.016 0.000 0.804 69 E CB -0.059 29.625 29.700 -0.027 0.000 0.745 69 E HN 0.293 nan 8.360 nan 0.000 0.458 70 Y N 1.019 121.300 120.300 -0.031 0.000 2.242 70 Y HA -0.130 4.420 4.550 0.001 0.000 0.291 70 Y C 2.312 178.185 175.900 -0.045 0.000 1.137 70 Y CA 0.915 58.984 58.100 -0.051 0.000 1.181 70 Y CB -0.587 37.838 38.460 -0.059 0.000 0.989 70 Y HN -0.076 nan 8.280 nan 0.000 0.527 71 K N 1.072 121.550 120.400 0.131 0.000 2.097 71 K HA -0.135 4.186 4.320 0.001 0.000 0.206 71 K C 1.840 178.475 176.600 0.058 0.000 1.049 71 K CA 1.400 57.726 56.287 0.065 0.000 0.933 71 K CB -0.164 32.357 32.500 0.036 0.000 0.717 71 K HN 0.155 nan 8.250 nan 0.000 0.442 72 K N -0.036 120.403 120.400 0.066 0.000 2.057 72 K HA -0.066 4.255 4.320 0.001 0.000 0.207 72 K C 2.037 178.694 176.600 0.096 0.000 1.049 72 K CA 1.500 57.828 56.287 0.068 0.000 0.931 72 K CB -0.172 32.365 32.500 0.061 0.000 0.714 72 K HN 0.118 nan 8.250 nan 0.000 0.440 73 L N 0.682 121.963 121.223 0.097 0.000 2.056 73 L HA -0.176 4.164 4.340 0.001 0.000 0.207 73 L C 2.332 179.261 176.870 0.097 0.000 1.078 73 L CA 1.090 55.994 54.840 0.106 0.000 0.749 73 L CB -0.390 41.644 42.059 -0.041 0.000 0.901 73 L HN 0.162 nan 8.230 nan 0.000 0.433 74 I N -0.062 120.520 120.570 0.021 0.000 2.208 74 I HA -0.315 3.856 4.170 0.001 0.000 0.245 74 I C 2.098 178.265 176.117 0.083 0.000 1.097 74 I CA 1.257 62.568 61.300 0.018 0.000 1.363 74 I CB -0.345 37.651 38.000 -0.007 0.000 1.051 74 I HN 0.295 nan 8.210 nan 0.000 0.413 75 D N 0.357 120.804 120.400 0.079 0.000 2.097 75 D HA -0.223 4.418 4.640 0.001 0.000 0.197 75 D C 2.039 178.395 176.300 0.094 0.000 0.984 75 D CA 1.249 55.292 54.000 0.071 0.000 0.826 75 D CB -0.254 40.577 40.800 0.052 0.000 0.973 75 D HN 0.306 nan 8.370 nan 0.000 0.460 76 E N -0.450 119.829 120.200 0.132 0.000 2.106 76 E HA -0.121 4.229 4.350 0.001 0.000 0.192 76 E C 1.404 178.060 176.600 0.094 0.000 0.984 76 E CA 0.770 57.234 56.400 0.106 0.000 0.806 76 E CB -0.237 29.535 29.700 0.120 0.000 0.750 76 E HN 0.168 nan 8.360 nan 0.000 0.458 77 F N 1.005 120.949 119.950 -0.010 0.000 2.811 77 F HA 0.252 4.779 4.527 0.001 0.000 0.301 77 F C 0.337 176.128 175.800 -0.014 0.000 1.151 77 F CA 0.475 58.466 58.000 -0.015 0.000 1.412 77 F CB 0.142 39.128 39.000 -0.023 0.000 1.113 77 F HN -0.130 nan 8.300 nan 0.000 0.579 78 K N 0.304 120.788 120.400 0.139 0.000 3.150 78 K HA -0.164 4.157 4.320 0.001 0.000 0.267 78 K C -0.511 176.134 176.600 0.076 0.000 1.028 78 K CA -0.023 56.309 56.287 0.075 0.000 0.753 78 K CB -1.898 30.625 32.500 0.037 0.000 1.288 78 K HN -0.025 nan 8.250 nan 0.000 0.473 79 V N 1.399 121.363 119.914 0.083 0.000 2.521 79 V HA -0.037 4.084 4.120 0.001 0.000 0.286 79 V C 1.697 177.804 176.094 0.021 0.000 1.034 79 V CA 0.446 62.772 62.300 0.043 0.000 1.045 79 V CB 1.212 33.040 31.823 0.009 0.000 0.974 79 V HN 0.327 nan 8.190 nan 0.000 0.480 80 E N 3.830 124.039 120.200 0.014 0.000 2.250 80 E HA 0.098 4.448 4.350 0.001 0.000 0.192 80 E C 0.331 176.932 176.600 0.001 0.000 0.986 80 E CA 0.468 56.873 56.400 0.009 0.000 0.849 80 E CB 0.368 30.074 29.700 0.010 0.000 0.797 80 E HN 0.571 nan 8.360 nan 0.000 0.482 81 R N 0.650 121.145 120.500 -0.008 0.000 2.532 81 R HA 0.467 4.808 4.340 0.001 0.000 0.297 81 R C -1.367 174.915 176.300 -0.030 0.000 0.984 81 R CA -0.451 55.640 56.100 -0.014 0.000 0.884 81 R CB 2.611 32.904 30.300 -0.011 0.000 1.182 81 R HN -0.163 nan 8.270 nan 0.000 0.442 82 V N 2.701 122.597 119.914 -0.030 0.000 2.638 82 V HA 0.427 4.547 4.120 0.001 0.000 0.306 82 V C -0.787 175.281 176.094 -0.043 0.000 1.052 82 V CA -0.856 61.416 62.300 -0.045 0.000 0.885 82 V CB 2.134 33.935 31.823 -0.037 0.000 0.999 82 V HN 0.571 nan 8.190 nan 0.000 0.424 83 K N 3.463 123.825 120.400 -0.064 0.000 2.507 83 K HA 0.846 5.167 4.320 0.001 0.000 0.252 83 K C -0.860 175.690 176.600 -0.084 0.000 0.943 83 K CA -0.131 56.118 56.287 -0.063 0.000 0.808 83 K CB 1.866 34.323 32.500 -0.072 0.000 1.142 83 K HN 0.908 nan 8.250 nan 0.000 0.426 84 A N 3.351 126.137 122.820 -0.058 0.000 2.331 84 A HA 0.743 5.064 4.320 0.001 0.000 0.320 84 A C -0.882 176.678 177.584 -0.040 0.000 1.138 84 A CA -0.488 51.519 52.037 -0.050 0.000 0.790 84 A CB 0.931 19.914 19.000 -0.029 0.000 1.206 84 A HN 0.787 nan 8.150 nan 0.000 0.470 85 V N -1.055 118.835 119.914 -0.041 0.000 3.040 85 V HA 1.004 5.125 4.120 0.001 0.000 0.312 85 V C -0.117 175.987 176.094 0.016 0.000 1.115 85 V CA -0.412 61.879 62.300 -0.015 0.000 0.998 85 V CB 1.366 33.165 31.823 -0.039 0.000 1.042 85 V HN 1.868 nan 8.190 nan 0.000 0.433 86 A N 1.819 124.664 122.820 0.042 0.000 2.401 86 A HA 0.924 5.245 4.320 0.001 0.000 0.310 86 A C 0.119 177.743 177.584 0.066 0.000 1.075 86 A CA -0.117 51.961 52.037 0.068 0.000 0.746 86 A CB 1.634 20.696 19.000 0.104 0.000 1.277 86 A HN 1.738 nan 8.150 nan 0.000 0.425 87 T N -1.354 113.239 114.554 0.065 0.000 2.849 87 T HA 0.301 4.651 4.350 0.001 0.000 0.284 87 T C 0.786 175.521 174.700 0.059 0.000 1.004 87 T CA 0.267 62.403 62.100 0.060 0.000 1.021 87 T CB 1.008 69.908 68.868 0.053 0.000 1.013 87 T HN 0.707 nan 8.240 nan 0.000 0.527 88 E N 0.500 120.733 120.200 0.055 0.000 2.265 88 E HA -0.086 4.264 4.350 0.001 0.000 0.196 88 E C 2.236 178.862 176.600 0.042 0.000 0.996 88 E CA 0.860 57.290 56.400 0.049 0.000 0.832 88 E CB -0.524 29.203 29.700 0.046 0.000 0.756 88 E HN 0.815 nan 8.360 nan 0.000 0.491 89 A N 0.761 123.604 122.820 0.040 0.000 2.019 89 A HA -0.164 4.157 4.320 0.001 0.000 0.219 89 A C 1.925 179.526 177.584 0.028 0.000 1.164 89 A CA 0.930 52.985 52.037 0.031 0.000 0.644 89 A CB -0.297 18.720 19.000 0.029 0.000 0.805 89 A HN 0.253 nan 8.150 nan 0.000 0.449 90 I N -0.668 119.927 120.570 0.041 0.000 2.333 90 I HA -0.101 4.069 4.170 0.001 0.000 0.246 90 I C 2.404 178.554 176.117 0.055 0.000 1.106 90 I CA 1.267 62.596 61.300 0.047 0.000 1.411 90 I CB -1.320 36.734 38.000 0.090 0.000 1.082 90 I HN 0.413 nan 8.210 nan 0.000 0.420 91 R N 0.980 121.514 120.500 0.057 0.000 2.105 91 R HA -0.203 4.137 4.340 0.001 0.000 0.239 91 R C 2.354 178.677 176.300 0.038 0.000 1.135 91 R CA 1.380 57.511 56.100 0.052 0.000 0.967 91 R CB -0.064 30.264 30.300 0.047 0.000 0.861 91 R HN 0.077 nan 8.270 nan 0.000 0.442 92 R N 0.548 121.066 120.500 0.030 0.000 2.133 92 R HA -0.056 4.284 4.340 0.001 0.000 0.247 92 R C 0.472 176.782 176.300 0.017 0.000 1.151 92 R CA 1.384 57.496 56.100 0.021 0.000 0.971 92 R CB -0.544 29.765 30.300 0.016 0.000 0.866 92 R HN 0.274 nan 8.270 nan 0.000 0.447 93 A N 0.360 123.190 122.820 0.016 0.000 2.425 93 A HA 0.058 4.379 4.320 0.001 0.000 0.249 93 A C 0.857 178.455 177.584 0.022 0.000 1.084 93 A CA -0.112 51.932 52.037 0.011 0.000 0.781 93 A CB 0.385 19.382 19.000 -0.004 0.000 1.019 93 A HN 0.294 nan 8.150 nan 0.000 0.490 94 K N 0.736 121.146 120.400 0.016 0.000 2.296 94 K HA -0.086 4.235 4.320 0.001 0.000 0.200 94 K C 0.719 177.336 176.600 0.029 0.000 1.048 94 K CA 1.340 57.639 56.287 0.020 0.000 0.966 94 K CB 0.029 32.536 32.500 0.012 0.000 0.754 94 K HN 0.877 nan 8.250 nan 0.000 0.466 95 N N -0.320 118.399 118.700 0.033 0.000 2.279 95 N HA 0.060 4.800 4.740 0.001 0.000 0.226 95 N C 0.852 176.420 175.510 0.097 0.000 1.126 95 N CA 0.309 53.389 53.050 0.051 0.000 0.846 95 N CB 0.558 39.068 38.487 0.038 0.000 1.050 95 N HN 0.032 nan 8.380 nan 0.000 0.502 96 A N 1.261 124.141 122.820 0.100 0.000 1.908 96 A HA -0.202 4.119 4.320 0.001 0.000 0.218 96 A C 2.100 179.784 177.584 0.167 0.000 1.181 96 A CA 1.499 53.640 52.037 0.173 0.000 0.627 96 A CB -0.603 18.475 19.000 0.129 0.000 0.818 96 A HN 0.479 nan 8.150 nan 0.000 0.445 97 E N -0.371 119.883 120.200 0.091 0.000 2.077 97 E HA -0.242 4.109 4.350 0.001 0.000 0.193 97 E C 1.889 178.514 176.600 0.042 0.000 0.989 97 E CA 1.523 57.953 56.400 0.050 0.000 0.800 97 E CB -0.060 29.660 29.700 0.033 0.000 0.746 97 E HN 0.703 nan 8.360 nan 0.000 0.452 98 E N 0.024 120.265 120.200 0.068 0.000 2.072 98 E HA -0.159 4.191 4.350 0.001 0.000 0.191 98 E C 1.651 178.308 176.600 0.094 0.000 0.985 98 E CA 1.103 57.541 56.400 0.063 0.000 0.801 98 E CB -0.353 29.385 29.700 0.063 0.000 0.750 98 E HN 0.295 nan 8.360 nan 0.000 0.452 99 F N 1.251 121.198 119.950 -0.006 0.000 2.095 99 F HA -0.183 4.345 4.527 0.001 0.000 0.298 99 F C 1.666 177.461 175.800 -0.009 0.000 1.104 99 F CA 1.463 59.457 58.000 -0.009 0.000 1.232 99 F CB -0.346 38.649 39.000 -0.009 0.000 0.987 99 F HN -0.047 nan 8.300 nan 0.000 0.475 100 L N 0.004 121.017 121.223 -0.351 0.000 2.141 100 L HA -0.163 4.178 4.340 0.001 0.000 0.209 100 L C 2.423 179.138 176.870 -0.259 0.000 1.094 100 L CA 1.655 56.230 54.840 -0.441 0.000 0.763 100 L CB -0.821 41.104 42.059 -0.225 0.000 0.908 100 L HN 0.219 nan 8.230 nan 0.000 0.437 101 E N 0.884 121.000 120.200 -0.139 0.000 2.077 101 E HA -0.204 4.147 4.350 0.001 0.000 0.193 101 E C 2.242 178.786 176.600 -0.093 0.000 0.989 101 E CA 1.332 57.679 56.400 -0.088 0.000 0.800 101 E CB 0.013 29.689 29.700 -0.040 0.000 0.746 101 E HN 0.230 nan 8.360 nan 0.000 0.452 102 R N -0.267 120.177 120.500 -0.093 0.000 2.105 102 R HA -0.090 4.251 4.340 0.001 0.000 0.239 102 R C 2.372 178.604 176.300 -0.113 0.000 1.135 102 R CA 1.407 57.465 56.100 -0.069 0.000 0.967 102 R CB -0.395 29.900 30.300 -0.009 0.000 0.861 102 R HN 0.148 nan 8.270 nan 0.000 0.442 103 V N 1.426 121.206 119.914 -0.225 0.000 2.427 103 V HA -0.246 3.875 4.120 0.001 0.000 0.248 103 V C 2.065 178.079 176.094 -0.133 0.000 1.051 103 V CA 1.703 63.874 62.300 -0.215 0.000 1.048 103 V CB -0.374 31.232 31.823 -0.362 0.000 0.666 103 V HN 0.310 nan 8.190 nan 0.000 0.456 104 K N -0.238 120.088 120.400 -0.124 0.000 2.026 104 K HA -0.126 4.195 4.320 0.001 0.000 0.208 104 K C 2.436 179.003 176.600 -0.056 0.000 1.048 104 K CA 1.206 57.445 56.287 -0.079 0.000 0.929 104 K CB -0.210 32.248 32.500 -0.069 0.000 0.713 104 K HN 0.300 nan 8.250 nan 0.000 0.439 105 R N 0.951 121.419 120.500 -0.054 0.000 2.093 105 R HA -0.042 4.298 4.340 0.001 0.000 0.224 105 R C 1.782 178.064 176.300 -0.030 0.000 1.101 105 R CA 1.296 57.374 56.100 -0.035 0.000 0.979 105 R CB -0.102 30.181 30.300 -0.029 0.000 0.877 105 R HN 0.390 nan 8.270 nan 0.000 0.441 106 E N -0.107 120.071 120.200 -0.036 0.000 2.364 106 E HA 0.033 4.384 4.350 0.001 0.000 0.196 106 E C 1.554 178.138 176.600 -0.027 0.000 0.990 106 E CA 0.249 56.633 56.400 -0.026 0.000 0.886 106 E CB 0.606 30.293 29.700 -0.021 0.000 0.866 106 E HN -0.005 nan 8.360 nan 0.000 0.493 107 V N -0.806 119.085 119.914 -0.038 0.000 3.455 107 V HA 0.233 4.353 4.120 0.001 0.000 0.250 107 V C 1.320 177.399 176.094 -0.026 0.000 1.230 107 V CA 0.661 62.941 62.300 -0.032 0.000 1.105 107 V CB 0.769 32.566 31.823 -0.043 0.000 0.850 107 V HN 0.376 nan 8.190 nan 0.000 0.461 108 G N 0.881 109.661 108.800 -0.033 0.000 2.132 108 G HA2 -0.200 3.761 3.960 0.001 0.000 0.228 108 G HA3 -0.200 3.761 3.960 0.001 0.000 0.228 108 G C -0.218 174.665 174.900 -0.028 0.000 1.000 108 G CA 0.344 45.428 45.100 -0.026 0.000 0.693 108 G HN 0.374 nan 8.290 nan 0.000 0.515 109 L N 0.782 121.981 121.223 -0.041 0.000 2.385 109 L HA 0.672 5.013 4.340 0.001 0.000 0.273 109 L C 0.063 176.898 176.870 -0.058 0.000 0.990 109 L CA -0.975 53.840 54.840 -0.041 0.000 0.821 109 L CB 2.124 44.160 42.059 -0.039 0.000 1.279 109 L HN -0.079 nan 8.230 nan 0.000 0.412 110 V N 5.079 124.964 119.914 -0.047 0.000 2.461 110 V HA 0.250 4.371 4.120 0.001 0.000 0.275 110 V C 0.086 176.149 176.094 -0.051 0.000 1.047 110 V CA -0.401 61.867 62.300 -0.052 0.000 0.955 110 V CB 1.590 33.393 31.823 -0.033 0.000 0.988 110 V HN 0.454 nan 8.190 nan 0.000 0.471 111 V N 4.894 124.766 119.914 -0.069 0.000 2.384 111 V HA 0.338 4.459 4.120 0.001 0.000 0.287 111 V C 0.166 176.243 176.094 -0.029 0.000 1.020 111 V CA -0.601 61.668 62.300 -0.053 0.000 0.850 111 V CB 1.533 33.307 31.823 -0.082 0.000 0.987 111 V HN 0.941 nan 8.190 nan 0.000 0.436 112 E N 3.924 124.122 120.200 -0.003 0.000 2.167 112 E HA 0.375 4.725 4.350 0.001 0.000 0.284 112 E C -0.894 175.727 176.600 0.036 0.000 1.016 112 E CA -0.545 55.867 56.400 0.020 0.000 0.817 112 E CB 1.601 31.325 29.700 0.040 0.000 1.080 112 E HN 0.512 nan 8.360 nan 0.000 0.397 113 V N 7.240 127.178 119.914 0.039 0.000 2.439 113 V HA 0.123 4.244 4.120 0.001 0.000 0.271 113 V C 0.516 176.647 176.094 0.061 0.000 1.040 113 V CA 0.062 62.394 62.300 0.053 0.000 1.002 113 V CB -0.239 31.616 31.823 0.052 0.000 1.000 113 V HN 0.512 nan 8.190 nan 0.000 0.477 114 I N 2.396 123.010 120.570 0.074 0.000 2.648 114 I HA 0.778 4.948 4.170 0.001 0.000 0.304 114 I C 0.521 176.685 176.117 0.077 0.000 1.009 114 I CA -0.548 60.806 61.300 0.090 0.000 1.114 114 I CB 2.230 40.318 38.000 0.146 0.000 1.293 114 I HN 0.592 nan 8.210 nan 0.000 0.449 115 T N 0.716 115.312 114.554 0.069 0.000 2.828 115 T HA 0.374 4.725 4.350 0.001 0.000 0.290 115 T C -1.916 172.826 174.700 0.069 0.000 1.019 115 T CA -1.453 60.683 62.100 0.060 0.000 1.031 115 T CB 0.985 69.881 68.868 0.048 0.000 1.001 115 T HN 0.500 nan 8.240 nan 0.000 0.531 116 P HA -0.051 nan 4.420 nan 0.000 0.216 116 P C 1.223 178.564 177.300 0.069 0.000 1.150 116 P CA 0.952 64.093 63.100 0.067 0.000 0.837 116 P CB 0.049 31.786 31.700 0.062 0.000 0.786 117 E N -0.615 119.621 120.200 0.061 0.000 2.051 117 E HA -0.232 4.119 4.350 0.001 0.000 0.192 117 E C 2.154 178.778 176.600 0.041 0.000 0.991 117 E CA 1.170 57.602 56.400 0.053 0.000 0.799 117 E CB -0.777 28.949 29.700 0.044 0.000 0.748 117 E HN 0.164 nan 8.360 nan 0.000 0.449 118 Q N 0.959 120.783 119.800 0.040 0.000 2.119 118 Q HA -0.155 4.185 4.340 0.001 0.000 0.201 118 Q C 1.641 177.701 176.000 0.100 0.000 0.972 118 Q CA 1.610 57.423 55.803 0.017 0.000 0.847 118 Q CB -0.014 28.747 28.738 0.039 0.000 0.903 118 Q HN 0.358 nan 8.270 nan 0.000 0.433 119 E N -1.004 119.290 120.200 0.157 0.000 2.085 119 E HA -0.188 4.163 4.350 0.001 0.000 0.194 119 E C 1.839 178.542 176.600 0.172 0.000 0.994 119 E CA 1.005 57.526 56.400 0.202 0.000 0.801 119 E CB -0.406 29.370 29.700 0.127 0.000 0.743 119 E HN 0.590 nan 8.360 nan 0.000 0.453 120 G N 1.239 110.104 108.800 0.109 0.000 2.418 120 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 120 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 120 G C 1.528 176.494 174.900 0.111 0.000 1.158 120 G CA 0.633 45.789 45.100 0.093 0.000 0.771 120 G HN 0.120 nan 8.290 nan 0.000 0.545 121 R N -0.948 119.582 120.500 0.049 0.000 2.081 121 R HA -0.087 4.254 4.340 0.001 0.000 0.235 121 R C 2.353 178.691 176.300 0.064 0.000 1.131 121 R CA 1.408 57.505 56.100 -0.005 0.000 0.960 121 R CB -0.494 29.723 30.300 -0.138 0.000 0.856 121 R HN 0.434 nan 8.270 nan 0.000 0.436 122 Y N 0.479 120.838 120.300 0.098 0.000 2.200 122 Y HA -0.128 4.423 4.550 0.001 0.000 0.290 122 Y C 2.537 178.505 175.900 0.113 0.000 1.137 122 Y CA 1.100 59.257 58.100 0.095 0.000 1.163 122 Y CB -0.583 37.908 38.460 0.052 0.000 0.988 122 Y HN 0.106 nan 8.280 nan 0.000 0.518 123 A N -0.940 122.041 122.820 0.267 0.000 1.933 123 A HA -0.262 4.058 4.320 0.001 0.000 0.218 123 A C 2.082 179.775 177.584 0.182 0.000 1.175 123 A CA 1.620 53.770 52.037 0.189 0.000 0.628 123 A CB -1.367 17.717 19.000 0.139 0.000 0.814 123 A HN 0.581 nan 8.150 nan 0.000 0.444 124 Y N 0.616 120.960 120.300 0.072 0.000 2.165 124 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 124 Y C 1.984 177.911 175.900 0.045 0.000 1.155 124 Y CA 1.909 60.031 58.100 0.037 0.000 1.164 124 Y CB -0.257 38.212 38.460 0.016 0.000 0.978 124 Y HN 0.233 nan 8.280 nan 0.000 0.513 125 L N -0.509 120.882 121.223 0.280 0.000 2.079 125 L HA -0.265 4.076 4.340 0.001 0.000 0.210 125 L C 2.779 179.753 176.870 0.174 0.000 1.081 125 L CA 1.157 56.131 54.840 0.223 0.000 0.752 125 L CB -1.077 41.167 42.059 0.310 0.000 0.896 125 L HN 0.344 nan 8.230 nan 0.000 0.433 126 A N -0.345 122.605 122.820 0.216 0.000 1.940 126 A HA -0.154 4.166 4.320 0.001 0.000 0.219 126 A C 2.329 180.076 177.584 0.272 0.000 1.176 126 A CA 1.899 54.133 52.037 0.328 0.000 0.631 126 A CB -0.737 18.455 19.000 0.320 0.000 0.814 126 A HN 0.220 nan 8.150 nan 0.000 0.446 127 V N -0.436 119.508 119.914 0.050 0.000 2.379 127 V HA -0.158 3.963 4.120 0.001 0.000 0.245 127 V C 3.038 178.998 176.094 -0.223 0.000 1.044 127 V CA 1.639 63.888 62.300 -0.086 0.000 1.036 127 V CB -1.126 30.571 31.823 -0.209 0.000 0.664 127 V HN 0.611 nan 8.190 nan 0.000 0.453 128 A N -0.625 121.962 122.820 -0.389 0.000 1.908 128 A HA -0.303 4.018 4.320 0.001 0.000 0.218 128 A C 2.173 179.492 177.584 -0.441 0.000 1.181 128 A CA 2.408 54.087 52.037 -0.598 0.000 0.627 128 A CB -0.761 17.636 19.000 -1.005 0.000 0.818 128 A HN 0.666 nan 8.150 nan 0.000 0.445 129 Y N 1.448 121.599 120.300 -0.248 0.000 2.153 129 Y HA -0.138 4.413 4.550 0.001 0.000 0.289 129 Y C 2.815 178.696 175.900 -0.032 0.000 1.127 129 Y CA 2.064 60.182 58.100 0.029 0.000 1.131 129 Y CB -0.340 38.255 38.460 0.225 0.000 0.995 129 Y HN 0.381 nan 8.280 nan 0.000 0.505 130 S N -1.181 114.442 115.700 -0.128 0.000 2.527 130 S HA 0.064 4.534 4.470 0.001 0.000 0.222 130 S C 1.371 175.875 174.600 -0.159 0.000 0.985 130 S CA 0.927 58.935 58.200 -0.319 0.000 0.921 130 S CB -0.180 62.788 63.200 -0.386 0.000 0.772 130 S HN 0.493 nan 8.310 nan 0.000 0.529 131 L N -0.598 120.526 121.223 -0.165 0.000 2.902 131 L HA 0.393 4.734 4.340 0.001 0.000 0.254 131 L C 0.002 176.762 176.870 -0.184 0.000 1.115 131 L CA -0.295 54.435 54.840 -0.184 0.000 0.947 131 L CB 0.063 41.992 42.059 -0.218 0.000 1.369 131 L HN 0.052 nan 8.230 nan 0.000 0.538 132 K N 1.079 121.360 120.400 -0.198 0.000 3.278 132 K HA -0.146 4.174 4.320 0.001 0.000 0.270 132 K C -2.235 174.288 176.600 -0.128 0.000 0.955 132 K CA -0.135 56.055 56.287 -0.160 0.000 0.723 132 K CB -1.538 30.893 32.500 -0.116 0.000 1.382 132 K HN 0.255 nan 8.250 nan 0.000 0.461 133 P HA 0.011 nan 4.420 nan 0.000 0.269 133 P C -0.173 177.092 177.300 -0.058 0.000 1.209 133 P CA 0.304 63.340 63.100 -0.106 0.000 0.776 133 P CB 0.720 32.344 31.700 -0.126 0.000 0.876 134 E N 0.324 120.505 120.200 -0.031 0.000 2.283 134 E HA 0.461 4.812 4.350 0.001 0.000 0.267 134 E C 0.776 177.390 176.600 0.023 0.000 1.045 134 E CA -0.341 56.058 56.400 -0.001 0.000 0.884 134 E CB 0.786 30.485 29.700 -0.002 0.000 1.106 134 E HN 0.751 nan 8.360 nan 0.000 0.408 135 G N 1.940 110.764 108.800 0.040 0.000 2.562 135 G HA2 -0.246 3.715 3.960 0.001 0.000 0.250 135 G HA3 -0.246 3.715 3.960 0.001 0.000 0.250 135 G C -0.624 174.326 174.900 0.085 0.000 1.269 135 G CA -0.553 44.582 45.100 0.058 0.000 0.919 135 G HN 0.509 nan 8.290 nan 0.000 0.574 136 E N 0.156 120.417 120.200 0.102 0.000 2.223 136 E HA 0.478 4.829 4.350 0.001 0.000 0.282 136 E C 0.231 176.929 176.600 0.162 0.000 1.046 136 E CA -0.167 56.320 56.400 0.145 0.000 0.857 136 E CB 1.382 31.172 29.700 0.150 0.000 1.055 136 E HN 0.577 nan 8.360 nan 0.000 0.409 137 V N 2.600 122.633 119.914 0.197 0.000 2.581 137 V HA 0.290 4.411 4.120 0.001 0.000 0.303 137 V C -0.090 176.111 176.094 0.179 0.000 1.041 137 V CA -0.884 61.510 62.300 0.156 0.000 0.907 137 V CB 2.127 34.029 31.823 0.131 0.000 0.994 137 V HN 0.792 nan 8.190 nan 0.000 0.442 138 C N 5.322 124.638 119.300 0.027 0.000 2.340 138 C HA 0.737 5.197 4.460 0.001 0.000 0.323 138 C C -0.290 174.584 174.990 -0.193 0.000 1.260 138 C CA -0.314 58.578 59.018 -0.211 0.000 1.464 138 C CB 0.448 27.960 27.740 -0.380 0.000 2.156 138 C HN 0.712 nan 8.230 nan 0.000 0.476 139 V N 7.010 126.835 119.914 -0.148 0.000 2.432 139 V HA 0.402 4.522 4.120 0.001 0.000 0.275 139 V C -0.005 175.946 176.094 -0.239 0.000 1.043 139 V CA -0.191 62.037 62.300 -0.119 0.000 0.925 139 V CB 1.591 33.415 31.823 0.003 0.000 0.985 139 V HN 0.702 nan 8.190 nan 0.000 0.466 140 V N 4.247 124.019 119.914 -0.238 0.000 2.313 140 V HA 0.379 4.499 4.120 0.001 0.000 0.278 140 V C -0.451 175.537 176.094 -0.176 0.000 1.017 140 V CA -0.449 61.599 62.300 -0.419 0.000 0.823 140 V CB 1.510 33.085 31.823 -0.414 0.000 1.010 140 V HN 0.873 nan 8.190 nan 0.000 0.443 141 D N 4.275 124.548 120.400 -0.211 0.000 2.461 141 D HA 0.199 4.840 4.640 0.001 0.000 0.240 141 D C -0.294 175.978 176.300 -0.048 0.000 1.094 141 D CA -0.227 53.747 54.000 -0.044 0.000 0.868 141 D CB 1.300 42.092 40.800 -0.013 0.000 1.062 141 D HN 0.493 nan 8.370 nan 0.000 0.530 142 Q N 2.735 122.560 119.800 0.040 0.000 2.278 142 Q HA 0.617 4.957 4.340 0.001 0.000 0.257 142 Q C -0.654 175.388 176.000 0.071 0.000 0.928 142 Q CA -0.598 55.222 55.803 0.029 0.000 0.932 142 Q CB 1.344 30.107 28.738 0.042 0.000 1.221 142 Q HN 0.658 nan 8.270 nan 0.000 0.434 143 G N 0.786 109.612 108.800 0.043 0.000 2.368 143 G HA2 0.368 4.329 3.960 0.001 0.000 0.303 143 G HA3 0.368 4.329 3.960 0.001 0.000 0.303 143 G C 0.086 175.004 174.900 0.029 0.000 1.590 143 G CA 0.283 45.405 45.100 0.037 0.000 0.938 143 G HN 1.085 nan 8.290 nan 0.000 0.675 144 G N -0.946 107.866 108.800 0.019 0.000 2.198 144 G HA2 0.360 4.321 3.960 0.001 0.000 0.260 144 G HA3 0.360 4.321 3.960 0.001 0.000 0.260 144 G C 1.939 176.852 174.900 0.022 0.000 1.025 144 G CA 1.391 46.502 45.100 0.019 0.000 0.769 144 G HN 2.975 nan 8.290 nan 0.000 0.507 145 G N -2.375 106.438 108.800 0.021 0.000 2.176 145 G HA2 0.265 4.225 3.960 0.001 0.000 0.232 145 G HA3 0.265 4.225 3.960 0.001 0.000 0.232 145 G C 0.522 175.449 174.900 0.044 0.000 0.986 145 G CA 1.263 46.379 45.100 0.027 0.000 0.643 145 G HN 2.695 nan 8.290 nan 0.000 0.522 146 S N -1.579 114.149 115.700 0.047 0.000 2.625 146 S HA 0.802 5.272 4.470 0.001 0.000 0.271 146 S C -0.907 173.718 174.600 0.042 0.000 1.161 146 S CA 0.207 58.442 58.200 0.059 0.000 0.820 146 S CB 2.383 65.620 63.200 0.062 0.000 1.137 146 S HN 0.787 nan 8.310 nan 0.000 0.470 147 T N 1.988 116.573 114.554 0.052 0.000 2.840 147 T HA 0.574 4.925 4.350 0.001 0.000 0.287 147 T C -1.257 173.446 174.700 0.004 0.000 0.991 147 T CA -0.367 61.719 62.100 -0.023 0.000 0.964 147 T CB 1.362 70.195 68.868 -0.059 0.000 0.954 147 T HN 0.625 nan 8.240 nan 0.000 0.438 148 E N 1.800 121.946 120.200 -0.090 0.000 2.231 148 E HA 0.440 4.790 4.350 0.001 0.000 0.277 148 E C -1.182 175.253 176.600 -0.275 0.000 0.999 148 E CA -0.403 55.975 56.400 -0.036 0.000 0.827 148 E CB 0.803 30.503 29.700 -0.000 0.000 1.101 148 E HN 0.502 nan 8.360 nan 0.000 0.393 149 Y N 1.250 121.531 120.300 -0.032 0.000 2.356 149 Y HA 0.401 4.952 4.550 0.001 0.000 0.334 149 Y C -0.596 175.162 175.900 -0.236 0.000 0.958 149 Y CA -0.870 57.130 58.100 -0.167 0.000 1.196 149 Y CB 1.077 39.516 38.460 -0.036 0.000 1.137 149 Y HN 0.173 nan 8.280 nan 0.000 0.485 150 V N 5.236 124.997 119.914 -0.255 0.000 2.378 150 V HA 0.403 4.523 4.120 0.001 0.000 0.288 150 V C -0.660 175.311 176.094 -0.205 0.000 1.016 150 V CA -1.083 61.150 62.300 -0.111 0.000 0.840 150 V CB 0.527 32.376 31.823 0.044 0.000 0.994 150 V HN 0.440 nan 8.190 nan 0.000 0.431 151 F N 2.850 122.830 119.950 0.050 0.000 2.421 151 F HA 0.901 5.428 4.527 0.001 0.000 0.337 151 F C 0.896 176.651 175.800 -0.074 0.000 1.105 151 F CA -0.041 58.001 58.000 0.070 0.000 1.049 151 F CB 2.122 41.175 39.000 0.089 0.000 1.139 151 F HN 0.702 nan 8.300 nan 0.000 0.479 152 G N 1.966 110.897 108.800 0.218 0.000 2.490 152 G HA2 0.497 4.457 3.960 0.001 0.000 0.308 152 G HA3 0.497 4.457 3.960 0.001 0.000 0.308 152 G C -2.170 172.887 174.900 0.260 0.000 1.286 152 G CA -0.906 44.265 45.100 0.119 0.000 0.825 152 G HN 0.470 nan 8.290 nan 0.000 0.479 153 K N -0.221 120.322 120.400 0.238 0.000 2.513 153 K HA 0.529 4.849 4.320 0.001 0.000 0.251 153 K C 0.648 177.381 176.600 0.221 0.000 0.939 153 K CA 0.370 56.781 56.287 0.208 0.000 0.793 153 K CB 1.579 34.163 32.500 0.140 0.000 1.241 153 K HN 1.928 nan 8.250 nan 0.000 0.431 154 G N 2.842 111.747 108.800 0.175 0.000 2.611 154 G HA2 -0.369 3.592 3.960 0.001 0.000 0.301 154 G HA3 -0.369 3.592 3.960 0.001 0.000 0.301 154 G C 0.253 175.286 174.900 0.223 0.000 1.233 154 G CA 0.773 45.975 45.100 0.170 0.000 0.993 154 G HN 0.682 nan 8.290 nan 0.000 0.553 155 Y N 1.766 122.191 120.300 0.208 0.000 2.490 155 Y HA 0.298 4.849 4.550 0.001 0.000 0.281 155 Y C 1.776 177.840 175.900 0.273 0.000 1.174 155 Y CA 1.224 59.484 58.100 0.267 0.000 1.295 155 Y CB 0.319 38.886 38.460 0.179 0.000 1.062 155 Y HN 0.366 nan 8.280 nan 0.000 0.522 156 K N 1.205 121.795 120.400 0.316 0.000 2.262 156 K HA 0.376 4.696 4.320 0.001 0.000 0.282 156 K C -0.959 175.617 176.600 -0.040 0.000 1.066 156 K CA -0.306 56.065 56.287 0.139 0.000 0.901 156 K CB 0.673 33.242 32.500 0.114 0.000 1.089 156 K HN -0.186 nan 8.250 nan 0.000 0.476 157 V N 6.158 125.958 119.914 -0.191 0.000 2.461 157 V HA 0.169 4.289 4.120 0.001 0.000 0.275 157 V C 1.288 177.299 176.094 -0.140 0.000 1.047 157 V CA -0.259 61.817 62.300 -0.373 0.000 0.955 157 V CB 1.202 32.797 31.823 -0.381 0.000 0.988 157 V HN 0.865 nan 8.190 nan 0.000 0.471 158 R N 2.451 122.901 120.500 -0.083 0.000 2.105 158 R HA 0.242 4.583 4.340 0.001 0.000 0.214 158 R C 0.515 176.822 176.300 0.011 0.000 1.091 158 R CA 0.453 56.547 56.100 -0.009 0.000 1.007 158 R CB 0.656 30.973 30.300 0.029 0.000 0.912 158 R HN 0.806 nan 8.270 nan 0.000 0.450 159 E N 0.138 120.376 120.200 0.063 0.000 2.363 159 E HA 0.227 4.578 4.350 0.001 0.000 0.281 159 E C -2.036 174.685 176.600 0.201 0.000 0.953 159 E CA -0.431 56.036 56.400 0.112 0.000 0.778 159 E CB 2.512 32.271 29.700 0.099 0.000 1.220 159 E HN -0.133 nan 8.360 nan 0.000 0.431 160 V N 5.713 125.716 119.914 0.147 0.000 2.656 160 V HA 0.643 4.764 4.120 0.001 0.000 0.307 160 V C -1.335 174.866 176.094 0.178 0.000 1.051 160 V CA -0.464 61.933 62.300 0.163 0.000 0.893 160 V CB 1.480 33.347 31.823 0.074 0.000 0.999 160 V HN 0.667 nan 8.190 nan 0.000 0.426 161 I N 5.546 126.261 120.570 0.241 0.000 2.418 161 I HA 0.422 4.593 4.170 0.001 0.000 0.287 161 I C -0.097 176.153 176.117 0.221 0.000 1.008 161 I CA -0.309 61.119 61.300 0.214 0.000 1.104 161 I CB 2.045 40.188 38.000 0.238 0.000 1.264 161 I HN 0.615 nan 8.210 nan 0.000 0.438 162 S N 7.537 123.330 115.700 0.154 0.000 2.438 162 S HA 0.610 5.080 4.470 0.001 0.000 0.293 162 S C -0.578 174.106 174.600 0.139 0.000 1.141 162 S CA -0.567 57.720 58.200 0.144 0.000 1.080 162 S CB 0.338 63.597 63.200 0.099 0.000 0.978 162 S HN 0.436 nan 8.310 nan 0.000 0.479 163 L N 7.405 128.731 121.223 0.173 0.000 2.282 163 L HA 0.459 4.799 4.340 0.001 0.000 0.288 163 L C -1.806 175.142 176.870 0.130 0.000 1.033 163 L CA -2.110 52.816 54.840 0.142 0.000 0.807 163 L CB 1.704 43.856 42.059 0.156 0.000 1.209 163 L HN 0.529 nan 8.230 nan 0.000 0.423 164 P HA 0.067 nan 4.420 nan 0.000 0.228 164 P C 0.227 177.605 177.300 0.130 0.000 1.748 164 P CA 0.143 63.306 63.100 0.105 0.000 0.909 164 P CB -0.563 31.188 31.700 0.086 0.000 1.882 165 I N -2.613 118.050 120.570 0.155 0.000 3.282 165 I HA 0.465 4.636 4.170 0.001 0.000 0.335 165 I C 0.483 176.685 176.117 0.143 0.000 1.325 165 I CA -0.993 60.431 61.300 0.207 0.000 1.156 165 I CB 0.086 38.246 38.000 0.266 0.000 1.644 165 I HN -0.150 nan 8.210 nan 0.000 0.493 166 G N 2.085 110.939 108.800 0.090 0.000 2.432 166 G HA2 0.212 4.173 3.960 0.001 0.000 0.239 166 G HA3 0.212 4.173 3.960 0.001 0.000 0.239 166 G C 0.975 175.907 174.900 0.054 0.000 1.291 166 G CA -0.431 44.704 45.100 0.058 0.000 0.863 166 G HN 0.760 nan 8.290 nan 0.000 0.560 167 I N 1.137 121.738 120.570 0.051 0.000 2.493 167 I HA -0.083 4.087 4.170 0.001 0.000 0.254 167 I C 1.976 178.091 176.117 -0.003 0.000 1.160 167 I CA 0.450 61.779 61.300 0.049 0.000 1.445 167 I CB -0.399 37.640 38.000 0.065 0.000 1.086 167 I HN 0.264 nan 8.210 nan 0.000 0.433 168 V N 2.362 122.265 119.914 -0.018 0.000 2.295 168 V HA -0.281 3.840 4.120 0.001 0.000 0.246 168 V C 2.561 178.617 176.094 -0.063 0.000 1.049 168 V CA 2.581 64.856 62.300 -0.041 0.000 1.024 168 V CB -1.228 30.568 31.823 -0.044 0.000 0.648 168 V HN 0.552 nan 8.190 nan 0.000 0.447 169 N N 0.273 118.938 118.700 -0.059 0.000 2.120 169 N HA -0.122 4.619 4.740 0.001 0.000 0.188 169 N C 1.688 177.110 175.510 -0.147 0.000 1.024 169 N CA 1.578 54.570 53.050 -0.098 0.000 0.852 169 N CB -0.316 38.124 38.487 -0.079 0.000 1.003 169 N HN 0.440 nan 8.380 nan 0.000 0.424 170 L N -0.384 120.790 121.223 -0.083 0.000 2.046 170 L HA -0.149 4.192 4.340 0.001 0.000 0.208 170 L C 2.100 178.821 176.870 -0.248 0.000 1.077 170 L CA 1.411 56.223 54.840 -0.047 0.000 0.747 170 L CB -0.980 41.183 42.059 0.174 0.000 0.896 170 L HN 0.252 nan 8.230 nan 0.000 0.432 171 T N -1.013 113.378 114.554 -0.271 0.000 2.708 171 T HA -0.209 4.141 4.350 0.001 0.000 0.266 171 T C 1.866 176.456 174.700 -0.183 0.000 1.037 171 T CA 1.341 63.254 62.100 -0.313 0.000 1.146 171 T CB -0.158 68.666 68.868 -0.073 0.000 0.865 171 T HN 0.302 nan 8.240 nan 0.000 0.435 172 E N 0.717 120.830 120.200 -0.145 0.000 2.110 172 E HA -0.128 4.222 4.350 0.001 0.000 0.193 172 E C 2.202 178.693 176.600 -0.182 0.000 0.988 172 E CA 1.244 57.573 56.400 -0.118 0.000 0.804 172 E CB -0.258 29.376 29.700 -0.109 0.000 0.745 172 E HN 0.403 nan 8.360 nan 0.000 0.458 173 T N 0.044 114.406 114.554 -0.319 0.000 2.737 173 T HA -0.082 4.269 4.350 0.001 0.000 0.265 173 T C 1.458 175.835 174.700 -0.539 0.000 1.038 173 T CA 1.439 63.225 62.100 -0.523 0.000 1.144 173 T CB -0.242 68.108 68.868 -0.864 0.000 0.866 173 T HN 0.129 nan 8.240 nan 0.000 0.434 174 F N -0.469 119.358 119.950 -0.205 0.000 2.437 174 F HA 0.347 4.875 4.527 0.001 0.000 0.288 174 F C 0.386 176.270 175.800 0.140 0.000 1.085 174 F CA -0.423 57.523 58.000 -0.089 0.000 1.430 174 F CB 0.095 38.987 39.000 -0.180 0.000 1.120 174 F HN 0.028 nan 8.300 nan 0.000 0.556 175 F N 2.062 122.074 119.950 0.102 0.000 2.467 175 F HA 0.323 4.851 4.527 0.001 0.000 0.349 175 F C 1.219 177.022 175.800 0.005 0.000 1.182 175 F CA -1.317 56.700 58.000 0.028 0.000 1.279 175 F CB -0.225 38.752 39.000 -0.037 0.000 1.626 175 F HN -0.171 nan 8.300 nan 0.000 0.596 176 K N 0.488 121.002 120.400 0.190 0.000 2.217 176 K HA -0.018 4.302 4.320 0.001 0.000 0.202 176 K C 0.701 177.345 176.600 0.073 0.000 1.051 176 K CA 0.595 56.939 56.287 0.096 0.000 0.952 176 K CB 0.174 32.715 32.500 0.068 0.000 0.736 176 K HN 0.504 nan 8.250 nan 0.000 0.453 177 Q N 0.773 120.616 119.800 0.072 0.000 2.205 177 Q HA 0.193 4.533 4.340 0.001 0.000 0.249 177 Q C -0.839 175.168 176.000 0.011 0.000 0.948 177 Q CA -0.472 55.349 55.803 0.030 0.000 0.895 177 Q CB 1.297 30.042 28.738 0.012 0.000 1.249 177 Q HN -0.110 nan 8.270 nan 0.000 0.458 178 D N 2.154 122.551 120.400 -0.004 0.000 2.440 178 D HA 0.319 4.960 4.640 0.001 0.000 0.252 178 D C -2.389 173.893 176.300 -0.031 0.000 1.180 178 D CA -1.773 52.216 54.000 -0.018 0.000 0.894 178 D CB 1.201 42.003 40.800 0.004 0.000 1.111 178 D HN 0.207 nan 8.370 nan 0.000 0.544 179 P HA 0.420 nan 4.420 nan 0.000 0.279 179 P C -2.714 174.486 177.300 -0.167 0.000 1.276 179 P CA -1.453 61.568 63.100 -0.132 0.000 0.801 179 P CB 0.086 31.701 31.700 -0.141 0.000 1.127 180 P HA 0.020 nan 4.420 nan 0.000 0.272 180 P C 0.203 177.413 177.300 -0.150 0.000 1.230 180 P CA 0.245 63.176 63.100 -0.281 0.000 0.788 180 P CB -0.083 31.174 31.700 -0.739 0.000 0.949 181 T N -1.639 112.890 114.554 -0.042 0.000 2.766 181 T HA 0.092 4.443 4.350 0.001 0.000 0.295 181 T C 1.299 176.015 174.700 0.026 0.000 1.024 181 T CA -0.359 61.742 62.100 0.002 0.000 1.018 181 T CB 0.374 69.265 68.868 0.038 0.000 1.002 181 T HN 0.311 nan 8.240 nan 0.000 0.532 182 E N 0.406 120.637 120.200 0.051 0.000 2.153 182 E HA -0.131 4.219 4.350 0.001 0.000 0.194 182 E C 2.111 178.787 176.600 0.126 0.000 0.988 182 E CA 1.049 57.505 56.400 0.093 0.000 0.811 182 E CB -0.056 29.696 29.700 0.086 0.000 0.746 182 E HN 0.665 nan 8.360 nan 0.000 0.466 183 E N 0.657 120.923 120.200 0.112 0.000 2.106 183 E HA -0.150 4.201 4.350 0.001 0.000 0.192 183 E C 1.962 178.667 176.600 0.176 0.000 0.984 183 E CA 0.637 57.117 56.400 0.132 0.000 0.806 183 E CB -0.068 29.698 29.700 0.109 0.000 0.750 183 E HN 0.432 nan 8.360 nan 0.000 0.458 184 E N 0.383 120.695 120.200 0.186 0.000 2.077 184 E HA -0.123 4.227 4.350 0.001 0.000 0.193 184 E C 2.219 179.030 176.600 0.352 0.000 0.989 184 E CA 0.962 57.533 56.400 0.286 0.000 0.800 184 E CB 0.038 29.912 29.700 0.290 0.000 0.746 184 E HN 0.013 nan 8.360 nan 0.000 0.452 185 V N 1.858 121.926 119.914 0.256 0.000 2.343 185 V HA -0.282 3.838 4.120 0.001 0.000 0.247 185 V C 2.409 178.733 176.094 0.384 0.000 1.051 185 V CA 1.805 64.302 62.300 0.327 0.000 1.036 185 V CB -0.459 31.546 31.823 0.304 0.000 0.654 185 V HN 0.238 nan 8.190 nan 0.000 0.451 186 K N 0.215 120.801 120.400 0.310 0.000 2.026 186 K HA -0.203 4.117 4.320 0.001 0.000 0.208 186 K C 2.396 179.115 176.600 0.198 0.000 1.048 186 K CA 1.608 58.061 56.287 0.277 0.000 0.929 186 K CB -0.155 32.462 32.500 0.194 0.000 0.713 186 K HN 0.355 nan 8.250 nan 0.000 0.439 187 R N -0.314 120.282 120.500 0.160 0.000 2.081 187 R HA -0.154 4.187 4.340 0.001 0.000 0.235 187 R C 2.364 178.502 176.300 -0.270 0.000 1.131 187 R CA 1.720 57.867 56.100 0.078 0.000 0.960 187 R CB -0.530 29.906 30.300 0.227 0.000 0.856 187 R HN 0.284 nan 8.270 nan 0.000 0.436 188 F N 0.884 120.441 119.950 -0.656 0.000 2.095 188 F HA -0.238 4.289 4.527 0.001 0.000 0.298 188 F C 1.715 177.226 175.800 -0.482 0.000 1.104 188 F CA 1.496 58.838 58.000 -1.095 0.000 1.232 188 F CB -0.332 38.321 39.000 -0.578 0.000 0.987 188 F HN -0.147 nan 8.300 nan 0.000 0.475 189 F N 1.246 121.066 119.950 -0.217 0.000 2.186 189 F HA -0.072 4.455 4.527 0.001 0.000 0.299 189 F C 2.379 178.053 175.800 -0.210 0.000 1.090 189 F CA 1.525 59.353 58.000 -0.287 0.000 1.307 189 F CB -1.072 37.872 39.000 -0.093 0.000 1.019 189 F HN 0.082 nan 8.300 nan 0.000 0.489 190 E N -0.529 119.702 120.200 0.050 0.000 2.085 190 E HA -0.269 4.082 4.350 0.001 0.000 0.194 190 E C 2.068 178.664 176.600 -0.006 0.000 0.994 190 E CA 1.598 58.016 56.400 0.031 0.000 0.801 190 E CB -0.500 29.241 29.700 0.068 0.000 0.743 190 E HN 0.426 nan 8.360 nan 0.000 0.453 191 F N 1.333 121.181 119.950 -0.171 0.000 2.134 191 F HA -0.138 4.390 4.527 0.001 0.000 0.299 191 F C 1.859 177.576 175.800 -0.139 0.000 1.097 191 F CA 1.225 59.158 58.000 -0.111 0.000 1.264 191 F CB -0.138 38.825 39.000 -0.063 0.000 1.001 191 F HN -0.095 nan 8.300 nan 0.000 0.479 192 L N 0.106 121.078 121.223 -0.419 0.000 2.141 192 L HA -0.167 4.174 4.340 0.001 0.000 0.209 192 L C 2.428 179.110 176.870 -0.314 0.000 1.094 192 L CA 1.650 56.219 54.840 -0.453 0.000 0.763 192 L CB -0.713 41.133 42.059 -0.355 0.000 0.908 192 L HN 0.221 nan 8.230 nan 0.000 0.437 193 E N 0.912 120.992 120.200 -0.200 0.000 2.077 193 E HA -0.279 4.072 4.350 0.001 0.000 0.193 193 E C 2.191 178.681 176.600 -0.184 0.000 0.989 193 E CA 1.478 57.792 56.400 -0.143 0.000 0.800 193 E CB -0.015 29.636 29.700 -0.083 0.000 0.746 193 E HN 0.236 nan 8.360 nan 0.000 0.452 194 K N 0.033 120.303 120.400 -0.217 0.000 2.032 194 K HA -0.208 4.113 4.320 0.001 0.000 0.209 194 K C 1.943 178.387 176.600 -0.260 0.000 1.048 194 K CA 1.625 57.792 56.287 -0.201 0.000 0.927 194 K CB -0.026 32.378 32.500 -0.159 0.000 0.712 194 K HN 0.107 nan 8.250 nan 0.000 0.441 195 E N 0.337 120.284 120.200 -0.422 0.000 2.076 195 E HA -0.095 4.256 4.350 0.001 0.000 0.190 195 E C 2.018 178.453 176.600 -0.275 0.000 0.979 195 E CA 0.655 56.831 56.400 -0.374 0.000 0.807 195 E CB 0.038 29.404 29.700 -0.556 0.000 0.761 195 E HN 0.216 nan 8.360 nan 0.000 0.454 196 L N 1.283 122.345 121.223 -0.269 0.000 2.313 196 L HA -0.071 4.269 4.340 0.001 0.000 0.214 196 L C 2.395 179.127 176.870 -0.230 0.000 1.119 196 L CA 1.123 55.823 54.840 -0.234 0.000 0.809 196 L CB -0.677 41.299 42.059 -0.138 0.000 0.933 196 L HN 0.048 nan 8.230 nan 0.000 0.449 197 S N -1.152 114.425 115.700 -0.205 0.000 2.423 197 S HA -0.183 4.288 4.470 0.001 0.000 0.231 197 S C 1.857 176.335 174.600 -0.204 0.000 1.014 197 S CA 0.747 58.827 58.200 -0.200 0.000 0.965 197 S CB -0.371 62.736 63.200 -0.155 0.000 0.785 197 S HN 0.430 nan 8.310 nan 0.000 0.495 198 K N 1.085 121.375 120.400 -0.184 0.000 2.288 198 K HA 0.072 4.393 4.320 0.001 0.000 0.201 198 K C 1.900 178.403 176.600 -0.162 0.000 1.048 198 K CA 1.178 57.372 56.287 -0.154 0.000 0.956 198 K CB -0.227 32.200 32.500 -0.122 0.000 0.746 198 K HN 0.542 nan 8.250 nan 0.000 0.461 199 V N -1.255 118.538 119.914 -0.200 0.000 3.660 199 V HA 0.126 4.246 4.120 0.001 0.000 0.276 199 V C 0.610 176.585 176.094 -0.197 0.000 1.317 199 V CA -0.340 61.883 62.300 -0.128 0.000 1.097 199 V CB -0.472 31.266 31.823 -0.141 0.000 0.863 199 V HN 0.037 nan 8.190 nan 0.000 0.438 200 K N 2.309 122.430 120.400 -0.466 0.000 2.484 200 K HA 0.174 4.495 4.320 0.001 0.000 0.280 200 K C -0.367 175.939 176.600 -0.489 0.000 1.013 200 K CA 0.518 56.308 56.287 -0.828 0.000 1.029 200 K CB 0.222 32.364 32.500 -0.597 0.000 0.902 200 K HN 0.573 nan 8.250 nan 0.000 0.481 201 K N 4.415 124.568 120.400 -0.411 0.000 2.532 201 K HA 0.328 4.649 4.320 0.001 0.000 0.265 201 K C -2.740 173.886 176.600 0.044 0.000 0.948 201 K CA -2.097 54.093 56.287 -0.161 0.000 0.842 201 K CB 2.000 34.335 32.500 -0.275 0.000 1.392 201 K HN 0.393 nan 8.250 nan 0.000 0.436 202 P HA 0.036 nan 4.420 nan 0.000 0.267 202 P C -0.971 176.444 177.300 0.193 0.000 1.209 202 P CA -0.427 62.734 63.100 0.103 0.000 0.763 202 P CB 0.564 32.290 31.700 0.044 0.000 0.816 203 V N -0.067 119.996 119.914 0.248 0.000 3.078 203 V HA 0.477 4.598 4.120 0.001 0.000 0.311 203 V C 0.198 176.388 176.094 0.160 0.000 1.138 203 V CA -0.574 61.870 62.300 0.240 0.000 1.007 203 V CB 2.565 34.584 31.823 0.325 0.000 1.045 203 V HN 0.239 nan 8.190 nan 0.000 0.432 204 D N 0.910 121.384 120.400 0.123 0.000 2.216 204 D HA 0.137 4.778 4.640 0.001 0.000 0.208 204 D C 0.415 176.754 176.300 0.065 0.000 0.960 204 D CA 1.469 55.519 54.000 0.083 0.000 0.861 204 D CB 0.584 41.423 40.800 0.066 0.000 0.985 204 D HN 0.754 nan 8.370 nan 0.000 0.493 205 T N 0.923 115.513 114.554 0.060 0.000 2.928 205 T HA 0.487 4.837 4.350 0.001 0.000 0.296 205 T C -0.069 174.631 174.700 0.000 0.000 1.000 205 T CA -0.498 61.615 62.100 0.021 0.000 0.989 205 T CB 2.215 71.081 68.868 -0.004 0.000 1.005 205 T HN -0.148 nan 8.240 nan 0.000 0.442 206 I N 2.827 123.382 120.570 -0.025 0.000 2.377 206 I HA 0.540 4.710 4.170 0.001 0.000 0.293 206 I C -0.517 175.560 176.117 -0.066 0.000 0.987 206 I CA -1.022 60.234 61.300 -0.074 0.000 1.185 206 I CB 1.681 39.624 38.000 -0.095 0.000 1.341 206 I HN 0.257 nan 8.210 nan 0.000 0.455 207 V N 5.003 124.866 119.914 -0.085 0.000 2.448 207 V HA 0.577 4.697 4.120 0.001 0.000 0.295 207 V C 0.432 176.499 176.094 -0.044 0.000 1.025 207 V CA -0.552 61.699 62.300 -0.082 0.000 0.859 207 V CB 1.649 33.405 31.823 -0.112 0.000 0.988 207 V HN 0.890 nan 8.190 nan 0.000 0.431 208 G N 4.424 113.206 108.800 -0.030 0.000 2.356 208 G HA2 0.687 4.648 3.960 0.001 0.000 0.322 208 G HA3 0.687 4.648 3.960 0.001 0.000 0.322 208 G C -1.313 173.576 174.900 -0.019 0.000 1.125 208 G CA -0.321 44.800 45.100 0.034 0.000 0.885 208 G HN 0.404 nan 8.290 nan 0.000 0.467 209 L N 0.902 122.175 121.223 0.084 0.000 2.333 209 L HA 0.959 5.299 4.340 0.001 0.000 0.263 209 L C 0.674 177.613 176.870 0.115 0.000 1.014 209 L CA 0.179 55.062 54.840 0.073 0.000 0.820 209 L CB 1.634 43.741 42.059 0.080 0.000 1.352 209 L HN 1.252 nan 8.230 nan 0.000 0.421 210 G N 0.116 108.957 108.800 0.069 0.000 2.462 210 G HA2 0.202 4.162 3.960 0.001 0.000 0.685 210 G HA3 0.202 4.162 3.960 0.001 0.000 0.685 210 G C 0.438 175.345 174.900 0.011 0.000 1.295 210 G CA -0.236 44.902 45.100 0.063 0.000 0.941 210 G HN 1.002 nan 8.290 nan 0.000 0.554 211 G N -1.215 107.583 108.800 -0.002 0.000 2.422 211 G HA2 0.116 4.077 3.960 0.001 0.000 0.218 211 G HA3 0.116 4.077 3.960 0.001 0.000 0.218 211 G C 1.797 176.656 174.900 -0.068 0.000 1.140 211 G CA 2.569 47.636 45.100 -0.055 0.000 0.775 211 G HN 1.168 nan 8.290 nan 0.000 0.545 212 T N 1.127 115.670 114.554 -0.018 0.000 2.674 212 T HA -0.111 4.240 4.350 0.001 0.000 0.265 212 T C 2.267 176.882 174.700 -0.142 0.000 1.039 212 T CA 1.120 63.197 62.100 -0.038 0.000 1.150 212 T CB -0.139 68.800 68.868 0.118 0.000 0.864 212 T HN 0.152 nan 8.240 nan 0.000 0.427 213 I N 1.668 122.093 120.570 -0.241 0.000 2.439 213 I HA -0.123 4.048 4.170 0.001 0.000 0.251 213 I C 2.582 178.575 176.117 -0.207 0.000 1.139 213 I CA 1.305 62.352 61.300 -0.421 0.000 1.438 213 I CB -0.457 37.027 38.000 -0.860 0.000 1.085 213 I HN 0.390 nan 8.210 nan 0.000 0.427 214 T N -3.712 110.781 114.554 -0.102 0.000 2.857 214 T HA -0.110 4.241 4.350 0.001 0.000 0.266 214 T C 1.868 176.596 174.700 0.047 0.000 1.048 214 T CA 1.652 63.772 62.100 0.033 0.000 1.139 214 T CB -1.038 67.892 68.868 0.103 0.000 0.874 214 T HN 0.232 nan 8.240 nan 0.000 0.455 215 T N 2.311 116.823 114.554 -0.071 0.000 2.746 215 T HA 0.115 4.466 4.350 0.001 0.000 0.267 215 T C 1.876 176.469 174.700 -0.178 0.000 1.039 215 T CA 0.884 62.927 62.100 -0.094 0.000 1.142 215 T CB -0.483 68.299 68.868 -0.144 0.000 0.866 215 T HN 0.230 nan 8.240 nan 0.000 0.444 216 L N 0.562 121.637 121.223 -0.246 0.000 2.046 216 L HA -0.143 4.197 4.340 0.001 0.000 0.208 216 L C 3.000 179.676 176.870 -0.324 0.000 1.077 216 L CA 1.488 56.088 54.840 -0.400 0.000 0.747 216 L CB -0.729 41.148 42.059 -0.304 0.000 0.896 216 L HN 0.286 nan 8.230 nan 0.000 0.432 217 A N -0.226 122.525 122.820 -0.114 0.000 1.902 217 A HA -0.190 4.130 4.320 0.001 0.000 0.217 217 A C 2.485 180.133 177.584 0.108 0.000 1.181 217 A CA 1.728 53.802 52.037 0.061 0.000 0.623 217 A CB -0.649 18.408 19.000 0.094 0.000 0.818 217 A HN 0.454 nan 8.150 nan 0.000 0.443 218 A N -0.265 122.600 122.820 0.075 0.000 1.902 218 A HA -0.050 4.270 4.320 0.001 0.000 0.217 218 A C 2.186 179.787 177.584 0.028 0.000 1.181 218 A CA 1.527 53.629 52.037 0.107 0.000 0.623 218 A CB -0.606 18.528 19.000 0.223 0.000 0.818 218 A HN 0.480 nan 8.150 nan 0.000 0.443 219 L N -0.999 120.123 121.223 -0.169 0.000 2.017 219 L HA -0.199 4.142 4.340 0.001 0.000 0.208 219 L C 2.696 179.484 176.870 -0.138 0.000 1.073 219 L CA 1.804 56.448 54.840 -0.327 0.000 0.745 219 L CB -0.534 40.886 42.059 -1.065 0.000 0.894 219 L HN 0.471 nan 8.230 nan 0.000 0.432 220 E N 0.074 120.141 120.200 -0.221 0.000 2.085 220 E HA -0.231 4.120 4.350 0.001 0.000 0.194 220 E C 1.430 177.857 176.600 -0.288 0.000 0.994 220 E CA 1.712 58.054 56.400 -0.097 0.000 0.801 220 E CB -0.137 29.382 29.700 -0.303 0.000 0.743 220 E HN 0.500 nan 8.360 nan 0.000 0.453 221 Y N 0.548 120.894 120.300 0.076 0.000 2.524 221 Y HA 0.296 4.847 4.550 0.001 0.000 0.266 221 Y C 0.051 175.991 175.900 0.067 0.000 1.180 221 Y CA 0.046 58.182 58.100 0.060 0.000 1.244 221 Y CB -0.004 38.468 38.460 0.020 0.000 1.125 221 Y HN -0.022 nan 8.280 nan 0.000 0.524 222 N N -0.211 118.591 118.700 0.169 0.000 2.740 222 N HA -0.153 4.587 4.740 0.001 0.000 0.248 222 N C -1.038 174.573 175.510 0.167 0.000 1.062 222 N CA 0.609 53.756 53.050 0.162 0.000 0.704 222 N CB -1.532 37.040 38.487 0.142 0.000 0.968 222 N HN 0.028 nan 8.380 nan 0.000 0.547 223 V N 1.431 121.444 119.914 0.165 0.000 2.368 223 V HA 0.401 4.521 4.120 0.001 0.000 0.266 223 V C -0.092 176.132 176.094 0.217 0.000 1.045 223 V CA -0.334 62.044 62.300 0.131 0.000 0.899 223 V CB 0.552 32.401 31.823 0.043 0.000 1.006 223 V HN 0.325 nan 8.190 nan 0.000 0.470 224 Y N 6.276 126.610 120.300 0.056 0.000 2.390 224 Y HA 0.641 5.191 4.550 0.001 0.000 0.324 224 Y C -2.493 173.438 175.900 0.053 0.000 1.151 224 Y CA -2.012 56.131 58.100 0.072 0.000 1.053 224 Y CB 1.579 40.087 38.460 0.080 0.000 1.277 224 Y HN 0.603 nan 8.280 nan 0.000 0.432 225 P HA 0.099 nan 4.420 nan 0.000 0.271 225 P C -1.367 175.889 177.300 -0.074 0.000 1.244 225 P CA -0.123 62.696 63.100 -0.469 0.000 0.793 225 P CB 0.325 31.799 31.700 -0.377 0.000 0.984 226 Y N 1.162 121.421 120.300 -0.067 0.000 2.717 226 Y HA 0.106 4.656 4.550 0.001 0.000 0.330 226 Y C 0.102 175.991 175.900 -0.018 0.000 1.217 226 Y CA 0.669 58.765 58.100 -0.007 0.000 1.506 226 Y CB 0.078 38.544 38.460 0.008 0.000 1.268 226 Y HN 0.235 nan 8.280 nan 0.000 0.561 227 D N 8.326 128.393 120.400 -0.555 0.000 2.575 227 D HA 0.276 4.917 4.640 0.001 0.000 0.250 227 D C -2.265 173.708 176.300 -0.545 0.000 1.279 227 D CA -2.337 51.448 54.000 -0.358 0.000 0.925 227 D CB 2.093 42.776 40.800 -0.195 0.000 1.261 227 D HN 0.233 nan 8.370 nan 0.000 0.567 228 P HA -0.152 nan 4.420 nan 0.000 0.217 228 P C 1.177 178.396 177.300 -0.136 0.000 1.148 228 P CA 1.188 64.181 63.100 -0.178 0.000 0.828 228 P CB 0.381 32.117 31.700 0.059 0.000 0.783 229 Q N -0.362 119.364 119.800 -0.123 0.000 2.226 229 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 229 Q C 1.792 177.726 176.000 -0.111 0.000 0.975 229 Q CA 1.221 56.964 55.803 -0.099 0.000 0.866 229 Q CB -0.288 28.402 28.738 -0.081 0.000 0.915 229 Q HN 0.391 nan 8.270 nan 0.000 0.440 230 K N -0.751 119.556 120.400 -0.155 0.000 2.379 230 K HA 0.049 4.370 4.320 0.001 0.000 0.194 230 K C 1.490 177.989 176.600 -0.170 0.000 1.031 230 K CA 0.318 56.515 56.287 -0.151 0.000 1.037 230 K CB 0.766 33.185 32.500 -0.135 0.000 0.824 230 K HN -0.007 nan 8.250 nan 0.000 0.516 231 V N -0.200 119.607 119.914 -0.178 0.000 2.908 231 V HA -0.040 4.081 4.120 0.001 0.000 0.240 231 V C 0.897 176.951 176.094 -0.067 0.000 1.117 231 V CA 0.013 62.238 62.300 -0.125 0.000 1.133 231 V CB -0.009 31.728 31.823 -0.143 0.000 0.857 231 V HN 0.369 nan 8.190 nan 0.000 0.478 232 H N 1.024 120.013 119.070 -0.134 0.000 3.004 232 H HA 0.234 4.791 4.556 0.001 0.000 0.316 232 H C 1.326 176.560 175.328 -0.158 0.000 1.014 232 H CA 1.358 57.328 56.048 -0.129 0.000 1.454 232 H CB 0.556 30.220 29.762 -0.163 0.000 1.472 232 H HN 0.461 nan 8.280 nan 0.000 0.571 233 G N 4.651 113.123 108.800 -0.548 0.000 2.176 233 G HA2 -0.234 3.726 3.960 0.001 0.000 0.253 233 G HA3 -0.234 3.726 3.960 0.001 0.000 0.253 233 G C 0.242 174.984 174.900 -0.262 0.000 0.979 233 G CA -0.025 44.831 45.100 -0.406 0.000 0.641 233 G HN 0.521 nan 8.290 nan 0.000 0.530 234 K N 0.600 120.853 120.400 -0.244 0.000 2.355 234 K HA 0.462 4.783 4.320 0.001 0.000 0.270 234 K C 0.711 177.236 176.600 -0.125 0.000 1.003 234 K CA -0.206 55.925 56.287 -0.259 0.000 0.957 234 K CB 1.445 33.749 32.500 -0.326 0.000 0.939 234 K HN 0.161 nan 8.250 nan 0.000 0.482 235 V N 4.304 124.181 119.914 -0.062 0.000 2.567 235 V HA 0.337 4.457 4.120 0.001 0.000 0.289 235 V C 0.351 176.544 176.094 0.166 0.000 1.049 235 V CA -0.705 61.617 62.300 0.036 0.000 0.969 235 V CB 1.036 32.880 31.823 0.036 0.000 0.995 235 V HN 0.480 nan 8.190 nan 0.000 0.471 236 L N 4.335 125.623 121.223 0.109 0.000 2.356 236 L HA 0.537 4.877 4.340 0.001 0.000 0.277 236 L C 0.404 177.335 176.870 0.102 0.000 0.996 236 L CA -0.417 54.494 54.840 0.118 0.000 0.822 236 L CB 2.376 44.474 42.059 0.066 0.000 1.256 236 L HN 0.820 nan 8.230 nan 0.000 0.413 237 T N -1.867 112.755 114.554 0.112 0.000 2.874 237 T HA 0.137 4.488 4.350 0.001 0.000 0.281 237 T C 1.002 175.789 174.700 0.146 0.000 0.994 237 T CA -0.269 61.908 62.100 0.129 0.000 1.015 237 T CB 1.032 69.973 68.868 0.122 0.000 1.028 237 T HN 0.506 nan 8.240 nan 0.000 0.523 238 Y N 1.929 122.272 120.300 0.073 0.000 2.081 238 Y HA -0.065 4.486 4.550 0.001 0.000 0.280 238 Y C 2.534 178.477 175.900 0.071 0.000 1.163 238 Y CA 2.426 60.571 58.100 0.074 0.000 1.135 238 Y CB -1.011 37.480 38.460 0.052 0.000 0.970 238 Y HN 0.840 nan 8.280 nan 0.000 0.498 239 G N -0.598 108.323 108.800 0.201 0.000 2.440 239 G HA2 -0.306 3.655 3.960 0.001 0.000 0.218 239 G HA3 -0.306 3.655 3.960 0.001 0.000 0.218 239 G C 1.451 176.355 174.900 0.007 0.000 1.154 239 G CA 1.100 46.259 45.100 0.099 0.000 0.767 239 G HN 0.527 nan 8.290 nan 0.000 0.552 240 Q N -0.375 119.449 119.800 0.038 0.000 2.079 240 Q HA 0.045 4.386 4.340 0.001 0.000 0.200 240 Q C 2.639 178.728 176.000 0.148 0.000 0.974 240 Q CA 0.956 56.798 55.803 0.066 0.000 0.840 240 Q CB -0.153 28.641 28.738 0.094 0.000 0.898 240 Q HN 0.547 nan 8.270 nan 0.000 0.430 241 I N 0.616 121.242 120.570 0.093 0.000 2.252 241 I HA -0.261 3.910 4.170 0.001 0.000 0.245 241 I C 2.477 178.651 176.117 0.096 0.000 1.102 241 I CA 0.983 62.364 61.300 0.134 0.000 1.385 241 I CB -0.265 37.771 38.000 0.059 0.000 1.064 241 I HN 0.154 nan 8.210 nan 0.000 0.414 242 K N 1.657 121.976 120.400 -0.135 0.000 2.063 242 K HA -0.223 4.098 4.320 0.001 0.000 0.208 242 K C 2.105 178.731 176.600 0.043 0.000 1.048 242 K CA 1.618 57.837 56.287 -0.114 0.000 0.928 242 K CB 0.034 32.374 32.500 -0.267 0.000 0.713 242 K HN 0.193 nan 8.250 nan 0.000 0.442 243 K N -0.683 119.693 120.400 -0.040 0.000 2.097 243 K HA -0.159 4.162 4.320 0.001 0.000 0.206 243 K C 1.871 178.339 176.600 -0.220 0.000 1.049 243 K CA 1.773 57.967 56.287 -0.155 0.000 0.933 243 K CB -0.162 32.176 32.500 -0.271 0.000 0.717 243 K HN 0.291 nan 8.250 nan 0.000 0.442 244 W N -0.009 121.302 121.300 0.018 0.000 2.388 244 W HA -0.095 4.566 4.660 0.000 0.000 0.294 244 W C 1.970 178.592 176.519 0.171 0.000 1.212 244 W CA 0.371 57.736 57.345 0.033 0.000 1.271 244 W CB -0.381 29.120 29.460 0.067 0.000 1.126 244 W HN -0.012 nan 8.180 nan 0.000 0.535 245 F N 1.747 121.881 119.950 0.305 0.000 2.095 245 F HA -0.286 4.242 4.527 0.001 0.000 0.298 245 F C 1.978 177.890 175.800 0.186 0.000 1.104 245 F CA 2.113 60.279 58.000 0.277 0.000 1.232 245 F CB -0.437 38.722 39.000 0.265 0.000 0.987 245 F HN -0.247 nan 8.300 nan 0.000 0.475 246 D N -0.717 119.840 120.400 0.260 0.000 2.178 246 D HA -0.128 4.513 4.640 0.001 0.000 0.201 246 D C 2.278 178.559 176.300 -0.032 0.000 0.980 246 D CA 1.636 55.707 54.000 0.118 0.000 0.842 246 D CB -0.554 40.298 40.800 0.087 0.000 0.948 246 D HN 0.295 nan 8.370 nan 0.000 0.472 247 T N -0.065 114.428 114.554 -0.101 0.000 2.701 247 T HA -0.075 4.275 4.350 0.001 0.000 0.263 247 T C 1.790 176.371 174.700 -0.198 0.000 1.040 247 T CA 0.685 62.659 62.100 -0.210 0.000 1.147 247 T CB -0.416 68.202 68.868 -0.417 0.000 0.865 247 T HN 0.121 nan 8.240 nan 0.000 0.426 248 F N 1.960 121.880 119.950 -0.050 0.000 2.325 248 F HA 0.025 4.553 4.527 0.001 0.000 0.299 248 F C 2.284 177.960 175.800 -0.206 0.000 1.090 248 F CA 0.680 58.627 58.000 -0.088 0.000 1.392 248 F CB -0.209 38.724 39.000 -0.112 0.000 1.053 248 F HN 0.174 nan 8.300 nan 0.000 0.521 249 K N 0.043 120.341 120.400 -0.169 0.000 2.442 249 K HA -0.107 4.214 4.320 0.001 0.000 0.198 249 K C 0.832 177.355 176.600 -0.128 0.000 1.042 249 K CA 1.271 57.407 56.287 -0.252 0.000 0.958 249 K CB -0.120 32.192 32.500 -0.314 0.000 0.766 249 K HN 0.149 nan 8.250 nan 0.000 0.474 250 E N 0.754 120.910 120.200 -0.074 0.000 2.481 250 E HA 0.206 4.557 4.350 0.001 0.000 0.198 250 E C -0.032 176.551 176.600 -0.028 0.000 1.027 250 E CA 0.069 56.439 56.400 -0.050 0.000 0.900 250 E CB 0.427 30.099 29.700 -0.046 0.000 0.993 250 E HN 0.395 nan 8.360 nan 0.000 0.482 251 I N 2.493 123.062 120.570 -0.002 0.000 2.389 251 I HA 0.247 4.418 4.170 0.001 0.000 0.288 251 I C -2.453 173.690 176.117 0.043 0.000 0.999 251 I CA -2.556 58.766 61.300 0.038 0.000 1.129 251 I CB 1.854 39.916 38.000 0.104 0.000 1.288 251 I HN -0.326 nan 8.210 nan 0.000 0.444 252 P HA 0.009 nan 4.420 nan 0.000 0.267 252 P C 0.827 178.153 177.300 0.044 0.000 1.200 252 P CA -0.053 63.058 63.100 0.017 0.000 0.772 252 P CB 0.692 32.397 31.700 0.009 0.000 0.855 253 S N 1.934 117.654 115.700 0.033 0.000 2.374 253 S HA -0.261 4.210 4.470 0.001 0.000 0.227 253 S C 1.298 175.928 174.600 0.050 0.000 1.037 253 S CA 1.609 59.835 58.200 0.043 0.000 1.024 253 S CB -1.118 62.095 63.200 0.021 0.000 0.861 253 S HN 0.452 nan 8.310 nan 0.000 0.456 254 E N 1.156 121.376 120.200 0.034 0.000 2.338 254 E HA -0.027 4.323 4.350 0.001 0.000 0.197 254 E C 1.881 178.503 176.600 0.037 0.000 1.007 254 E CA 1.119 57.537 56.400 0.030 0.000 0.849 254 E CB -0.182 29.529 29.700 0.018 0.000 0.774 254 E HN 0.732 nan 8.360 nan 0.000 0.506 255 E N 0.519 120.747 120.200 0.046 0.000 2.400 255 E HA 0.053 4.404 4.350 0.001 0.000 0.195 255 E C 1.471 178.122 176.600 0.085 0.000 1.012 255 E CA 0.315 56.740 56.400 0.042 0.000 0.875 255 E CB 0.181 29.894 29.700 0.023 0.000 0.859 255 E HN 0.092 nan 8.360 nan 0.000 0.498 256 R N -0.019 120.574 120.500 0.155 0.000 2.073 256 R HA -0.089 4.251 4.340 0.001 0.000 0.234 256 R C 2.416 178.888 176.300 0.287 0.000 1.134 256 R CA 1.716 58.003 56.100 0.312 0.000 0.952 256 R CB -0.395 30.125 30.300 0.368 0.000 0.850 256 R HN 0.269 nan 8.270 nan 0.000 0.433 257 S N 0.622 116.423 115.700 0.169 0.000 2.461 257 S HA -0.036 4.435 4.470 0.001 0.000 0.228 257 S C 1.623 176.274 174.600 0.086 0.000 1.005 257 S CA 0.630 58.912 58.200 0.137 0.000 0.942 257 S CB 0.066 63.319 63.200 0.088 0.000 0.776 257 S HN 0.233 nan 8.310 nan 0.000 0.514 258 K N 0.896 121.325 120.400 0.048 0.000 2.062 258 K HA 0.072 4.393 4.320 0.001 0.000 0.205 258 K C 2.462 179.019 176.600 -0.072 0.000 1.051 258 K CA 1.158 57.441 56.287 -0.006 0.000 0.941 258 K CB -0.162 32.329 32.500 -0.015 0.000 0.719 258 K HN 0.213 nan 8.250 nan 0.000 0.440 259 R N 0.497 120.926 120.500 -0.119 0.000 2.090 259 R HA 0.026 4.367 4.340 0.001 0.000 0.228 259 R C -0.200 175.748 176.300 -0.586 0.000 1.110 259 R CA 1.204 57.068 56.100 -0.394 0.000 0.973 259 R CB 0.133 30.127 30.300 -0.510 0.000 0.869 259 R HN -0.004 nan 8.270 nan 0.000 0.440 260 F N 0.293 120.282 119.950 0.065 0.000 2.532 260 F HA 0.424 4.951 4.527 0.001 0.000 0.365 260 F C 0.867 176.706 175.800 0.065 0.000 1.112 260 F CA -0.874 57.175 58.000 0.083 0.000 1.082 260 F CB 1.497 40.609 39.000 0.187 0.000 1.319 260 F HN -0.178 nan 8.300 nan 0.000 0.457 261 R N 0.852 121.427 120.500 0.125 0.000 2.170 261 R HA -0.208 4.132 4.340 0.001 0.000 0.242 261 R C 1.372 177.781 176.300 0.181 0.000 1.145 261 R CA 1.512 57.667 56.100 0.091 0.000 0.984 261 R CB -0.047 30.210 30.300 -0.072 0.000 0.869 261 R HN 0.642 nan 8.270 nan 0.000 0.455 262 Q N -0.050 119.877 119.800 0.211 0.000 2.297 262 Q HA -0.002 4.339 4.340 0.001 0.000 0.204 262 Q C 0.230 176.297 176.000 0.112 0.000 0.962 262 Q CA 0.475 56.397 55.803 0.199 0.000 0.879 262 Q CB 0.315 29.169 28.738 0.192 0.000 0.947 262 Q HN 0.043 nan 8.270 nan 0.000 0.462 263 V N 2.793 122.782 119.914 0.124 0.000 2.446 263 V HA -0.034 4.087 4.120 0.001 0.000 0.276 263 V C 0.335 176.458 176.094 0.049 0.000 1.030 263 V CA 0.073 62.409 62.300 0.061 0.000 1.033 263 V CB 0.296 32.187 31.823 0.114 0.000 0.993 263 V HN 0.236 nan 8.190 nan 0.000 0.477 264 E N 3.794 123.997 120.200 0.004 0.000 2.384 264 E HA 0.002 4.353 4.350 0.001 0.000 0.266 264 E C 0.471 177.074 176.600 0.005 0.000 1.012 264 E CA -0.372 56.031 56.400 0.006 0.000 0.901 264 E CB 0.630 30.318 29.700 -0.019 0.000 0.967 264 E HN 0.594 nan 8.360 nan 0.000 0.435 265 D N 2.818 123.230 120.400 0.018 0.000 2.149 265 D HA -0.235 4.406 4.640 0.001 0.000 0.194 265 D C 1.893 178.191 176.300 -0.004 0.000 1.001 265 D CA 1.508 55.517 54.000 0.016 0.000 0.849 265 D CB -0.076 40.737 40.800 0.021 0.000 0.939 265 D HN 0.543 nan 8.370 nan 0.000 0.449 266 R N 0.481 120.971 120.500 -0.016 0.000 2.235 266 R HA 0.058 4.399 4.340 0.001 0.000 0.213 266 R C 1.648 177.912 176.300 -0.060 0.000 1.059 266 R CA 0.722 56.798 56.100 -0.041 0.000 0.997 266 R CB -0.021 30.248 30.300 -0.053 0.000 0.884 266 R HN 0.070 nan 8.270 nan 0.000 0.462 267 R N 0.128 120.594 120.500 -0.056 0.000 2.362 267 R HA 0.248 4.588 4.340 0.001 0.000 0.227 267 R C 1.777 178.032 176.300 -0.075 0.000 0.905 267 R CA 0.552 56.610 56.100 -0.070 0.000 1.067 267 R CB 0.598 30.850 30.300 -0.080 0.000 1.078 267 R HN 0.260 nan 8.270 nan 0.000 0.516 268 A N 1.777 124.567 122.820 -0.051 0.000 1.902 268 A HA -0.217 4.103 4.320 0.001 0.000 0.217 268 A C 2.108 179.662 177.584 -0.050 0.000 1.181 268 A CA 1.500 53.511 52.037 -0.045 0.000 0.623 268 A CB -0.188 18.818 19.000 0.011 0.000 0.818 268 A HN 0.152 nan 8.150 nan 0.000 0.443 269 K N -0.137 120.246 120.400 -0.028 0.000 2.062 269 K HA -0.080 4.240 4.320 0.001 0.000 0.205 269 K C 1.729 178.324 176.600 -0.009 0.000 1.051 269 K CA 1.577 57.857 56.287 -0.010 0.000 0.941 269 K CB -0.233 32.269 32.500 0.003 0.000 0.719 269 K HN 0.422 nan 8.250 nan 0.000 0.440 270 V N -0.830 119.069 119.914 -0.025 0.000 3.217 270 V HA -0.012 4.108 4.120 0.001 0.000 0.264 270 V C 1.841 177.919 176.094 -0.028 0.000 1.135 270 V CA 0.928 63.221 62.300 -0.012 0.000 1.142 270 V CB -0.527 31.284 31.823 -0.019 0.000 0.754 270 V HN 0.319 nan 8.190 nan 0.000 0.484 271 I N -0.371 120.133 120.570 -0.108 0.000 2.361 271 I HA -0.195 3.975 4.170 0.001 0.000 0.251 271 I C 2.273 178.306 176.117 -0.140 0.000 1.133 271 I CA 1.757 62.949 61.300 -0.180 0.000 1.413 271 I CB 0.093 37.857 38.000 -0.394 0.000 1.073 271 I HN 0.453 nan 8.210 nan 0.000 0.424 272 L N 1.157 122.300 121.223 -0.134 0.000 2.046 272 L HA -0.146 4.194 4.340 0.001 0.000 0.208 272 L C 2.551 179.516 176.870 0.159 0.000 1.077 272 L CA 2.222 57.003 54.840 -0.098 0.000 0.747 272 L CB -0.885 41.030 42.059 -0.239 0.000 0.896 272 L HN 0.252 nan 8.230 nan 0.000 0.432 273 A N -0.558 122.363 122.820 0.169 0.000 1.908 273 A HA -0.107 4.214 4.320 0.001 0.000 0.218 273 A C 2.346 180.145 177.584 0.358 0.000 1.181 273 A CA 1.650 53.792 52.037 0.176 0.000 0.627 273 A CB -1.622 17.395 19.000 0.028 0.000 0.818 273 A HN 0.539 nan 8.150 nan 0.000 0.445 274 G N 0.074 109.019 108.800 0.240 0.000 2.446 274 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 274 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 274 G C 1.524 176.675 174.900 0.419 0.000 1.168 274 G CA 1.160 46.425 45.100 0.274 0.000 0.771 274 G HN 0.489 nan 8.290 nan 0.000 0.551 275 I N 1.341 122.147 120.570 0.393 0.000 2.226 275 I HA -0.107 4.064 4.170 0.001 0.000 0.245 275 I C 3.060 179.545 176.117 0.612 0.000 1.100 275 I CA 0.990 62.584 61.300 0.490 0.000 1.374 275 I CB -0.431 37.842 38.000 0.455 0.000 1.057 275 I HN 0.251 nan 8.210 nan 0.000 0.413 276 G N 1.069 110.309 108.800 0.734 0.000 2.422 276 G HA2 -0.196 3.764 3.960 0.001 0.000 0.218 276 G HA3 -0.196 3.764 3.960 0.001 0.000 0.218 276 G C 1.699 176.871 174.900 0.453 0.000 1.146 276 G CA 0.558 46.061 45.100 0.671 0.000 0.769 276 G HN 0.319 nan 8.290 nan 0.000 0.547 277 I N -0.364 120.408 120.570 0.337 0.000 2.163 277 I HA -0.154 4.017 4.170 0.001 0.000 0.243 277 I C 2.446 178.571 176.117 0.012 0.000 1.085 277 I CA 1.084 62.434 61.300 0.084 0.000 1.347 277 I CB -0.253 37.706 38.000 -0.070 0.000 1.044 277 I HN 0.114 nan 8.210 nan 0.000 0.408 278 F N -0.123 119.942 119.950 0.192 0.000 2.206 278 F HA -0.193 4.335 4.527 0.001 0.000 0.298 278 F C 2.245 178.134 175.800 0.149 0.000 1.090 278 F CA 0.941 59.025 58.000 0.140 0.000 1.323 278 F CB -0.393 38.667 39.000 0.100 0.000 1.028 278 F HN 0.009 nan 8.300 nan 0.000 0.492 279 L N 0.690 122.103 121.223 0.316 0.000 2.005 279 L HA -0.183 4.157 4.340 0.001 0.000 0.207 279 L C 2.367 179.366 176.870 0.216 0.000 1.072 279 L CA 1.848 56.781 54.840 0.156 0.000 0.744 279 L CB -0.708 41.367 42.059 0.026 0.000 0.895 279 L HN -0.082 nan 8.230 nan 0.000 0.433 280 K N -0.979 119.545 120.400 0.208 0.000 2.147 280 K HA -0.121 4.200 4.320 0.001 0.000 0.205 280 K C 1.907 178.621 176.600 0.189 0.000 1.049 280 K CA 2.019 58.400 56.287 0.156 0.000 0.936 280 K CB -0.648 31.946 32.500 0.158 0.000 0.722 280 K HN 0.405 nan 8.250 nan 0.000 0.446 281 T N 1.196 115.882 114.554 0.219 0.000 2.708 281 T HA -0.099 4.252 4.350 0.001 0.000 0.266 281 T C 1.652 176.554 174.700 0.337 0.000 1.037 281 T CA 1.571 63.847 62.100 0.293 0.000 1.146 281 T CB -0.214 68.776 68.868 0.203 0.000 0.865 281 T HN 0.135 nan 8.240 nan 0.000 0.435 282 L N 0.652 122.047 121.223 0.287 0.000 2.046 282 L HA -0.125 4.215 4.340 0.001 0.000 0.208 282 L C 2.797 179.815 176.870 0.246 0.000 1.077 282 L CA 1.543 56.558 54.840 0.291 0.000 0.747 282 L CB -0.534 41.745 42.059 0.367 0.000 0.896 282 L HN 0.396 nan 8.230 nan 0.000 0.432 283 E N 0.599 120.934 120.200 0.225 0.000 2.031 283 E HA -0.242 4.108 4.350 0.001 0.000 0.193 283 E C 2.295 178.925 176.600 0.050 0.000 0.994 283 E CA 1.291 57.714 56.400 0.038 0.000 0.800 283 E CB 0.130 29.849 29.700 0.030 0.000 0.752 283 E HN 0.331 nan 8.360 nan 0.000 0.447 284 I N 0.329 120.964 120.570 0.109 0.000 2.252 284 I HA -0.206 3.965 4.170 0.001 0.000 0.245 284 I C 1.927 178.053 176.117 0.015 0.000 1.102 284 I CA 1.181 62.501 61.300 0.033 0.000 1.385 284 I CB -0.875 37.134 38.000 0.014 0.000 1.064 284 I HN 0.150 nan 8.210 nan 0.000 0.414 285 F N 1.089 121.058 119.950 0.032 0.000 2.802 285 F HA -0.005 4.523 4.527 0.001 0.000 0.300 285 F C 0.973 176.793 175.800 0.033 0.000 1.168 285 F CA 0.193 58.226 58.000 0.054 0.000 1.433 285 F CB -0.442 38.622 39.000 0.107 0.000 1.115 285 F HN 0.189 nan 8.300 nan 0.000 0.582 286 E N 0.235 120.527 120.200 0.152 0.000 2.389 286 E HA -0.220 4.131 4.350 0.001 0.000 0.243 286 E C -0.468 176.184 176.600 0.087 0.000 1.154 286 E CA 0.215 56.652 56.400 0.063 0.000 0.723 286 E CB -1.245 28.466 29.700 0.019 0.000 1.261 286 E HN 0.210 nan 8.360 nan 0.000 0.390 287 K N 0.292 120.769 120.400 0.127 0.000 2.259 287 K HA 0.225 4.545 4.320 0.001 0.000 0.252 287 K C 0.204 176.865 176.600 0.102 0.000 0.936 287 K CA -0.702 55.654 56.287 0.114 0.000 0.810 287 K CB 1.443 34.025 32.500 0.137 0.000 1.143 287 K HN -0.097 nan 8.250 nan 0.000 0.427 288 D N 0.376 120.826 120.400 0.084 0.000 2.348 288 D HA 0.010 4.651 4.640 0.001 0.000 0.211 288 D C 0.744 177.127 176.300 0.138 0.000 0.998 288 D CA 0.485 54.546 54.000 0.101 0.000 0.873 288 D CB 0.077 40.918 40.800 0.068 0.000 0.925 288 D HN 0.610 nan 8.370 nan 0.000 0.524 289 C N -0.548 118.821 119.300 0.114 0.000 3.306 289 C HA 0.803 5.263 4.460 0.001 0.000 0.335 289 C C -1.448 173.586 174.990 0.072 0.000 1.382 289 C CA -1.357 57.721 59.018 0.101 0.000 1.254 289 C CB 0.640 28.427 27.740 0.079 0.000 1.555 289 C HN 0.069 nan 8.230 nan 0.000 0.463 290 L N -0.358 120.897 121.223 0.053 0.000 2.359 290 L HA 0.918 5.258 4.340 0.001 0.000 0.256 290 L C -0.850 176.009 176.870 -0.017 0.000 1.026 290 L CA -1.012 53.837 54.840 0.015 0.000 0.828 290 L CB 1.126 43.199 42.059 0.024 0.000 1.406 290 L HN 0.783 nan 8.230 nan 0.000 0.413 291 I N 1.109 121.646 120.570 -0.055 0.000 2.412 291 I HA 0.546 4.717 4.170 0.001 0.000 0.296 291 I C -0.528 175.514 176.117 -0.126 0.000 0.987 291 I CA -1.165 60.076 61.300 -0.099 0.000 1.180 291 I CB 1.980 39.903 38.000 -0.129 0.000 1.340 291 I HN 0.348 nan 8.210 nan 0.000 0.455 292 V N 4.448 124.274 119.914 -0.147 0.000 2.509 292 V HA 0.250 4.371 4.120 0.001 0.000 0.284 292 V C 0.255 176.235 176.094 -0.191 0.000 1.047 292 V CA -0.207 62.009 62.300 -0.140 0.000 0.952 292 V CB 1.480 33.245 31.823 -0.098 0.000 0.988 292 V HN 0.794 nan 8.190 nan 0.000 0.469 293 S N 1.901 117.548 115.700 -0.090 0.000 2.454 293 S HA 0.296 4.766 4.470 0.001 0.000 0.306 293 S C 0.597 175.334 174.600 0.228 0.000 1.100 293 S CA -0.581 57.635 58.200 0.027 0.000 1.087 293 S CB 1.447 64.691 63.200 0.072 0.000 1.019 293 S HN 0.905 nan 8.310 nan 0.000 0.480 294 D N 3.198 123.886 120.400 0.480 0.000 2.317 294 D HA 0.103 4.744 4.640 0.001 0.000 0.211 294 D C -0.349 176.240 176.300 0.481 0.000 0.966 294 D CA 0.569 54.812 54.000 0.404 0.000 0.876 294 D CB 0.271 41.290 40.800 0.364 0.000 0.927 294 D HN 0.450 nan 8.370 nan 0.000 0.519 295 W N -0.030 121.347 121.300 0.127 0.000 2.449 295 W HA 0.646 5.307 4.660 0.001 0.000 0.331 295 W C 0.846 177.404 176.519 0.064 0.000 1.119 295 W CA -0.772 56.612 57.345 0.064 0.000 1.240 295 W CB 1.348 30.840 29.460 0.054 0.000 1.251 295 W HN -0.069 nan 8.180 nan 0.000 0.576 296 G N 0.579 109.487 108.800 0.179 0.000 2.933 296 G HA2 0.243 4.203 3.960 0.001 0.000 0.203 296 G HA3 0.243 4.203 3.960 0.001 0.000 0.203 296 G C 0.028 174.961 174.900 0.056 0.000 1.170 296 G CA -0.212 44.958 45.100 0.118 0.000 0.880 296 G HN 0.438 nan 8.290 nan 0.000 0.573 297 L N 0.810 122.059 121.223 0.043 0.000 1.991 297 L HA -0.085 4.256 4.340 0.001 0.000 0.221 297 L C 2.847 179.654 176.870 -0.105 0.000 1.079 297 L CA 2.622 57.470 54.840 0.014 0.000 0.778 297 L CB -0.695 41.371 42.059 0.012 0.000 0.893 297 L HN 0.551 nan 8.230 nan 0.000 0.437 298 R N -0.751 119.663 120.500 -0.142 0.000 2.105 298 R HA -0.182 4.158 4.340 0.001 0.000 0.239 298 R C 2.050 178.171 176.300 -0.298 0.000 1.135 298 R CA 1.779 57.748 56.100 -0.217 0.000 0.967 298 R CB -0.318 29.860 30.300 -0.203 0.000 0.861 298 R HN 0.486 nan 8.270 nan 0.000 0.442 299 E N -0.700 119.283 120.200 -0.361 0.000 2.230 299 E HA -0.016 4.335 4.350 0.001 0.000 0.192 299 E C 1.909 178.354 176.600 -0.260 0.000 0.987 299 E CA 0.982 57.048 56.400 -0.556 0.000 0.841 299 E CB -0.146 28.859 29.700 -1.158 0.000 0.783 299 E HN 0.436 nan 8.360 nan 0.000 0.481 300 G N 0.493 109.249 108.800 -0.074 0.000 2.422 300 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 300 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 300 G C 1.666 176.624 174.900 0.096 0.000 1.140 300 G CA 0.628 45.790 45.100 0.103 0.000 0.775 300 G HN 0.171 nan 8.290 nan 0.000 0.545 301 V N 1.087 120.904 119.914 -0.162 0.000 2.407 301 V HA -0.157 3.963 4.120 0.001 0.000 0.248 301 V C 2.893 178.915 176.094 -0.120 0.000 1.055 301 V CA 1.483 63.599 62.300 -0.306 0.000 1.049 301 V CB -0.390 31.117 31.823 -0.526 0.000 0.662 301 V HN 0.372 nan 8.190 nan 0.000 0.455 302 L N -0.683 120.448 121.223 -0.154 0.000 2.056 302 L HA -0.123 4.217 4.340 0.001 0.000 0.207 302 L C 2.474 179.298 176.870 -0.077 0.000 1.078 302 L CA 1.021 55.777 54.840 -0.140 0.000 0.749 302 L CB -0.821 41.104 42.059 -0.223 0.000 0.901 302 L HN 0.172 nan 8.230 nan 0.000 0.433 303 V N -0.730 119.161 119.914 -0.038 0.000 2.343 303 V HA -0.307 3.813 4.120 0.001 0.000 0.247 303 V C 2.766 178.913 176.094 0.088 0.000 1.051 303 V CA 2.075 64.387 62.300 0.021 0.000 1.036 303 V CB -0.449 31.456 31.823 0.137 0.000 0.654 303 V HN 0.490 nan 8.190 nan 0.000 0.451 304 S N -0.680 115.108 115.700 0.146 0.000 2.383 304 S HA -0.227 4.244 4.470 0.001 0.000 0.229 304 S C 2.013 176.672 174.600 0.098 0.000 1.030 304 S CA 1.587 59.891 58.200 0.173 0.000 1.002 304 S CB -0.267 63.132 63.200 0.331 0.000 0.829 304 S HN 0.615 nan 8.310 nan 0.000 0.467 305 E N 0.664 120.898 120.200 0.056 0.000 2.106 305 E HA -0.044 4.306 4.350 0.001 0.000 0.192 305 E C 2.266 178.876 176.600 0.016 0.000 0.984 305 E CA 0.948 57.362 56.400 0.024 0.000 0.806 305 E CB -0.626 29.069 29.700 -0.009 0.000 0.750 305 E HN 0.459 nan 8.360 nan 0.000 0.458 306 V N 1.488 121.405 119.914 0.005 0.000 2.307 306 V HA -0.227 3.894 4.120 0.001 0.000 0.245 306 V C 2.539 178.644 176.094 0.018 0.000 1.045 306 V CA 1.278 63.577 62.300 -0.001 0.000 1.024 306 V CB -0.562 31.243 31.823 -0.031 0.000 0.651 306 V HN 0.190 nan 8.190 nan 0.000 0.449 307 L N -0.465 120.777 121.223 0.032 0.000 2.079 307 L HA -0.228 4.113 4.340 0.001 0.000 0.210 307 L C 2.576 179.481 176.870 0.058 0.000 1.081 307 L CA 1.753 56.614 54.840 0.036 0.000 0.752 307 L CB -0.669 41.418 42.059 0.046 0.000 0.896 307 L HN 0.284 nan 8.230 nan 0.000 0.433 308 K N -0.246 120.184 120.400 0.050 0.000 2.097 308 K HA -0.223 4.098 4.320 0.001 0.000 0.205 308 K C 2.086 178.724 176.600 0.064 0.000 1.050 308 K CA 1.355 57.670 56.287 0.046 0.000 0.938 308 K CB -0.030 32.485 32.500 0.026 0.000 0.718 308 K HN 0.113 nan 8.250 nan 0.000 0.442 309 E N 1.352 121.580 120.200 0.046 0.000 2.106 309 E HA -0.138 4.213 4.350 0.001 0.000 0.192 309 E C 0.986 177.615 176.600 0.048 0.000 0.984 309 E CA 1.591 58.014 56.400 0.039 0.000 0.806 309 E CB -0.055 29.659 29.700 0.023 0.000 0.750 309 E HN 0.325 nan 8.360 nan 0.000 0.458 310 N N -0.624 118.105 118.700 0.049 0.000 2.463 310 N HA -0.076 4.664 4.740 0.001 0.000 0.181 310 N C 0.267 175.805 175.510 0.046 0.000 1.078 310 N CA -0.139 52.932 53.050 0.035 0.000 0.902 310 N CB -0.064 38.432 38.487 0.016 0.000 0.970 310 N HN 0.201 nan 8.380 nan 0.000 0.451 311 H N 1.516 120.583 119.070 -0.006 0.000 2.871 311 H HA 0.030 4.587 4.556 0.001 0.000 0.355 311 H C 0.564 175.891 175.328 -0.002 0.000 1.092 311 H CA 0.990 57.035 56.048 -0.005 0.000 1.420 311 H CB 0.775 30.537 29.762 -0.000 0.000 1.400 311 H HN 0.003 nan 8.280 nan 0.000 0.604 312 S N 0.000 115.395 115.700 -0.508 0.000 2.498 312 S HA 0.000 4.471 4.470 0.001 0.000 0.327 312 S CA 0.000 58.053 58.200 -0.245 0.000 1.107 312 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 312 S HN 0.000 nan 8.310 nan 0.000 0.517