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 3kft_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKLFTPLKVG AVTAPNRVFM APLTRLRSIE PGDIPTPLMG EYYRQRASAG DATA SEQUENCE LIISEATQIS AQAKGYAGAP GLHSPEQIAA WKKITAGVHA EDGRIAVQLW DATA SEQUENCE HTGRISHSSI QPGGQAPVSA SALNANTRTS LRDENGNAIR VDTTTPRALE DATA SEQUENCE LDEIPGIVND FRQAVANARE AGFDLVELHS AHGYLLHQFL SPSSNQRTDQ DATA SEQUENCE YGGSVENRAR LVLEVVDAVC NEWSADRIGI RVSPIGTFQN VDNGPNEEAD DATA SEQUENCE ALYLIEELAK RGIAYLHMSE TXXXXGKPYS EAFRQKVRER FHGVIIGAGA DATA SEQUENCE YTAEKAEDLI GKGLIDAVAF GRDYIANPDL VARLQKKAEL NPQRPESFYG DATA SEQUENCE GGAEGYTDYP SL 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.674 176.600 0.123 0.000 1.382 3 E CA 0.000 56.472 56.400 0.120 0.000 0.976 3 E CB 0.000 29.740 29.700 0.067 0.000 0.812 4 K N 0.907 121.336 120.400 0.048 0.000 2.296 4 K HA 0.099 4.419 4.320 0.001 0.000 0.200 4 K C 1.933 178.499 176.600 -0.057 0.000 1.048 4 K CA 0.171 56.465 56.287 0.011 0.000 0.966 4 K CB 0.034 32.528 32.500 -0.010 0.000 0.754 4 K HN -0.001 nan 8.250 nan 0.000 0.466 5 L N 0.403 121.529 121.223 -0.162 0.000 2.263 5 L HA -0.153 4.187 4.340 0.001 0.000 0.216 5 L C 0.889 177.414 176.870 -0.575 0.000 1.111 5 L CA 1.782 56.353 54.840 -0.448 0.000 0.773 5 L CB -0.286 41.355 42.059 -0.696 0.000 0.906 5 L HN 0.071 nan 8.230 nan 0.000 0.439 6 F N -1.618 118.346 119.950 0.022 0.000 2.668 6 F HA 0.242 4.769 4.527 0.000 0.000 0.301 6 F C 1.233 177.049 175.800 0.027 0.000 1.106 6 F CA -0.166 57.851 58.000 0.030 0.000 1.289 6 F CB -0.764 38.250 39.000 0.024 0.000 1.006 6 F HN -0.026 nan 8.300 nan 0.000 0.535 7 T N -1.950 112.668 114.554 0.107 0.000 2.902 7 T HA 0.519 4.869 4.350 0.001 0.000 0.280 7 T C -2.679 172.057 174.700 0.059 0.000 0.992 7 T CA -2.358 59.789 62.100 0.078 0.000 1.015 7 T CB 1.849 70.745 68.868 0.046 0.000 1.044 7 T HN -0.255 nan 8.240 nan 0.000 0.520 8 P HA 0.520 nan 4.420 nan 0.000 0.274 8 P C -1.194 176.131 177.300 0.042 0.000 1.246 8 P CA -0.686 62.447 63.100 0.054 0.000 0.795 8 P CB 0.420 32.146 31.700 0.043 0.000 1.006 9 L N 0.561 121.817 121.223 0.056 0.000 2.543 9 L HA 0.466 4.807 4.340 0.001 0.000 0.265 9 L C -0.795 176.108 176.870 0.055 0.000 0.945 9 L CA -0.760 54.110 54.840 0.050 0.000 0.869 9 L CB 1.881 43.975 42.059 0.058 0.000 1.294 9 L HN 0.112 nan 8.230 nan 0.000 0.405 10 K N 3.816 124.236 120.400 0.035 0.000 2.312 10 K HA 0.618 4.939 4.320 0.001 0.000 0.287 10 K C -1.440 175.184 176.600 0.041 0.000 1.062 10 K CA -0.421 55.882 56.287 0.027 0.000 0.934 10 K CB 0.928 33.434 32.500 0.010 0.000 1.027 10 K HN 0.539 nan 8.250 nan 0.000 0.478 11 V N 5.874 125.813 119.914 0.042 0.000 2.284 11 V HA 0.316 4.436 4.120 0.001 0.000 0.274 11 V C 0.974 177.093 176.094 0.042 0.000 1.023 11 V CA 0.119 62.462 62.300 0.071 0.000 0.808 11 V CB 0.082 31.952 31.823 0.079 0.000 1.035 11 V HN 1.186 nan 8.190 nan 0.000 0.445 12 G N 5.062 113.880 108.800 0.029 0.000 2.660 12 G HA2 -0.297 3.663 3.960 0.001 0.000 0.321 12 G HA3 -0.297 3.663 3.960 0.001 0.000 0.321 12 G C 1.145 176.013 174.900 -0.053 0.000 1.246 12 G CA 0.790 45.875 45.100 -0.025 0.000 1.000 12 G HN 1.418 nan 8.290 nan 0.000 0.550 13 A N -0.051 122.710 122.820 -0.097 0.000 2.235 13 A HA 0.531 4.852 4.320 0.001 0.000 0.208 13 A C 1.292 178.836 177.584 -0.067 0.000 1.172 13 A CA 2.265 54.243 52.037 -0.099 0.000 0.786 13 A CB -0.698 18.204 19.000 -0.162 0.000 0.804 13 A HN 2.230 nan 8.150 nan 0.000 0.479 14 V N -4.407 115.476 119.914 -0.053 0.000 3.046 14 V HA 0.797 4.918 4.120 0.001 0.000 0.316 14 V C -0.585 175.494 176.094 -0.025 0.000 1.104 14 V CA -0.569 61.706 62.300 -0.041 0.000 1.006 14 V CB 1.672 33.465 31.823 -0.051 0.000 1.058 14 V HN 0.006 nan 8.190 nan 0.000 0.440 15 T N 2.573 117.115 114.554 -0.019 0.000 2.786 15 T HA 0.783 5.133 4.350 0.001 0.000 0.283 15 T C 0.002 174.700 174.700 -0.004 0.000 0.992 15 T CA 0.158 62.257 62.100 -0.002 0.000 0.954 15 T CB 1.211 70.081 68.868 0.004 0.000 0.934 15 T HN 1.364 nan 8.240 nan 0.000 0.440 16 A N 4.754 127.583 122.820 0.016 0.000 2.328 16 A HA 0.593 4.913 4.320 0.001 0.000 0.284 16 A C -1.468 176.157 177.584 0.069 0.000 1.160 16 A CA -1.651 50.401 52.037 0.025 0.000 0.818 16 A CB 0.303 19.352 19.000 0.081 0.000 1.087 16 A HN 0.492 nan 8.150 nan 0.000 0.504 17 P HA -0.083 nan 4.420 nan 0.000 0.222 17 P C -0.128 177.242 177.300 0.116 0.000 1.147 17 P CA 1.588 64.735 63.100 0.079 0.000 0.790 17 P CB -0.058 31.686 31.700 0.074 0.000 0.780 18 N N -2.788 116.002 118.700 0.149 0.000 3.020 18 N HA 0.209 4.950 4.740 0.001 0.000 0.248 18 N C -0.326 175.286 175.510 0.169 0.000 1.480 18 N CA -0.993 52.145 53.050 0.148 0.000 0.874 18 N CB 0.438 39.048 38.487 0.205 0.000 1.433 18 N HN -0.346 nan 8.380 nan 0.000 0.530 19 R N -0.248 120.241 120.500 -0.019 0.000 2.515 19 R HA 0.300 4.640 4.340 0.001 0.000 0.294 19 R C -0.447 175.691 176.300 -0.270 0.000 1.021 19 R CA -0.262 55.695 56.100 -0.238 0.000 1.081 19 R CB 0.026 30.122 30.300 -0.341 0.000 1.263 19 R HN 0.290 nan 8.270 nan 0.000 0.557 20 V N 3.144 123.112 119.914 0.088 0.000 2.304 20 V HA 0.212 4.332 4.120 0.001 0.000 0.262 20 V C -0.388 176.036 176.094 0.550 0.000 1.061 20 V CA -0.259 62.205 62.300 0.274 0.000 0.872 20 V CB -0.123 31.873 31.823 0.288 0.000 1.077 20 V HN 0.048 nan 8.190 nan 0.000 0.480 21 F N 3.583 123.555 119.950 0.038 0.000 2.397 21 F HA 0.536 5.064 4.527 0.002 0.000 0.331 21 F C 0.377 176.155 175.800 -0.036 0.000 1.090 21 F CA -1.925 56.027 58.000 -0.080 0.000 1.065 21 F CB 1.579 40.422 39.000 -0.260 0.000 1.184 21 F HN 0.337 nan 8.300 nan 0.000 0.499 22 M N 3.005 122.516 119.600 -0.149 0.000 2.084 22 M HA 0.584 5.065 4.480 0.001 0.000 0.351 22 M C -0.351 175.892 176.300 -0.096 0.000 1.240 22 M CA -0.430 54.643 55.300 -0.379 0.000 1.083 22 M CB 0.569 32.596 32.600 -0.954 0.000 1.593 22 M HN 0.690 nan 8.290 nan 0.000 0.463 23 A N 7.322 130.163 122.820 0.035 0.000 2.406 23 A HA 0.573 4.893 4.320 0.001 0.000 0.243 23 A C -2.509 175.106 177.584 0.051 0.000 1.082 23 A CA -1.222 50.863 52.037 0.080 0.000 0.786 23 A CB -0.575 18.488 19.000 0.105 0.000 1.029 23 A HN 0.631 nan 8.150 nan 0.000 0.495 24 P HA 0.313 nan 4.420 nan 0.000 0.271 24 P C -1.101 176.206 177.300 0.012 0.000 1.216 24 P CA 0.433 63.526 63.100 -0.012 0.000 0.771 24 P CB 0.373 31.991 31.700 -0.135 0.000 0.864 25 L N 2.681 123.935 121.223 0.052 0.000 2.485 25 L HA 0.238 4.578 4.340 0.001 0.000 0.260 25 L C 0.200 177.104 176.870 0.057 0.000 0.998 25 L CA -0.396 54.477 54.840 0.054 0.000 0.883 25 L CB 1.513 43.621 42.059 0.082 0.000 1.196 25 L HN 0.186 nan 8.230 nan 0.000 0.443 26 T N 3.041 117.614 114.554 0.031 0.000 2.817 26 T HA 0.160 4.510 4.350 0.001 0.000 0.295 26 T C 1.019 175.801 174.700 0.136 0.000 0.958 26 T CA -0.088 62.036 62.100 0.041 0.000 1.157 26 T CB 0.485 69.362 68.868 0.016 0.000 0.898 26 T HN 0.441 nan 8.240 nan 0.000 0.536 27 R N 2.328 122.866 120.500 0.063 0.000 2.469 27 R HA 0.273 4.613 4.340 0.001 0.000 0.250 27 R C 0.719 177.002 176.300 -0.027 0.000 0.909 27 R CA -0.207 55.882 56.100 -0.018 0.000 1.050 27 R CB -0.083 30.071 30.300 -0.244 0.000 1.256 27 R HN 0.683 nan 8.270 nan 0.000 0.550 28 L N 1.109 122.342 121.223 0.017 0.000 3.730 28 L HA -0.252 4.089 4.340 0.001 0.000 0.410 28 L C 0.357 177.204 176.870 -0.038 0.000 1.234 28 L CA 0.531 55.404 54.840 0.056 0.000 0.911 28 L CB -1.081 41.078 42.059 0.166 0.000 1.942 28 L HN 0.168 nan 8.230 nan 0.000 0.860 29 R N -1.075 119.340 120.500 -0.142 0.000 2.509 29 R HA 0.261 4.602 4.340 0.001 0.000 0.300 29 R C 0.829 177.058 176.300 -0.117 0.000 0.985 29 R CA -0.116 55.866 56.100 -0.197 0.000 1.092 29 R CB 0.795 30.817 30.300 -0.463 0.000 1.237 29 R HN 0.188 nan 8.270 nan 0.000 0.546 30 S N 0.757 116.420 115.700 -0.062 0.000 2.600 30 S HA 0.240 4.711 4.470 0.001 0.000 0.265 30 S C 0.479 175.060 174.600 -0.031 0.000 1.325 30 S CA -0.303 57.868 58.200 -0.048 0.000 1.002 30 S CB 0.932 64.123 63.200 -0.015 0.000 0.921 30 S HN 0.126 nan 8.310 nan 0.000 0.554 31 I N 1.765 122.313 120.570 -0.036 0.000 2.416 31 I HA 0.186 4.357 4.170 0.001 0.000 0.288 31 I C 0.436 176.551 176.117 -0.004 0.000 1.051 31 I CA 0.252 61.539 61.300 -0.023 0.000 1.375 31 I CB 0.580 38.561 38.000 -0.031 0.000 1.407 31 I HN 0.564 nan 8.210 nan 0.000 0.516 32 E N 6.842 127.044 120.200 0.005 0.000 2.212 32 E HA 0.462 4.812 4.350 0.001 0.000 0.268 32 E C -2.190 174.416 176.600 0.010 0.000 0.902 32 E CA -1.795 54.615 56.400 0.015 0.000 0.779 32 E CB 1.323 31.037 29.700 0.024 0.000 1.172 32 E HN 0.392 nan 8.360 nan 0.000 0.409 33 P HA 0.289 nan 4.420 nan 0.000 0.274 33 P C 0.486 177.798 177.300 0.020 0.000 1.246 33 P CA -0.138 62.975 63.100 0.022 0.000 0.795 33 P CB 0.679 32.392 31.700 0.022 0.000 1.006 34 G N -0.196 108.625 108.800 0.034 0.000 2.238 34 G HA2 -0.200 3.760 3.960 0.001 0.000 0.217 34 G HA3 -0.200 3.760 3.960 0.001 0.000 0.217 34 G C -0.147 174.763 174.900 0.016 0.000 0.996 34 G CA 0.078 45.193 45.100 0.025 0.000 0.632 34 G HN 0.609 nan 8.290 nan 0.000 0.503 35 D N -0.008 120.410 120.400 0.031 0.000 2.697 35 D HA -0.172 4.468 4.640 0.001 0.000 0.238 35 D C 0.529 176.827 176.300 -0.005 0.000 1.152 35 D CA 1.567 55.593 54.000 0.044 0.000 0.666 35 D CB -1.630 39.234 40.800 0.107 0.000 1.037 35 D HN 0.770 nan 8.370 nan 0.000 0.423 36 I N 0.065 120.607 120.570 -0.045 0.000 2.315 36 I HA 0.230 4.401 4.170 0.001 0.000 0.291 36 I C -1.862 174.147 176.117 -0.179 0.000 1.006 36 I CA -2.033 59.201 61.300 -0.110 0.000 1.265 36 I CB 1.067 39.016 38.000 -0.085 0.000 1.387 36 I HN -0.314 nan 8.210 nan 0.000 0.475 37 P HA 0.010 nan 4.420 nan 0.000 0.269 37 P C -0.287 176.858 177.300 -0.258 0.000 1.211 37 P CA 0.078 62.902 63.100 -0.460 0.000 0.781 37 P CB 0.392 31.494 31.700 -0.997 0.000 0.877 38 T N -2.498 111.955 114.554 -0.170 0.000 2.916 38 T HA 0.496 4.846 4.350 0.001 0.000 0.292 38 T C -2.306 172.373 174.700 -0.034 0.000 1.064 38 T CA -2.223 59.830 62.100 -0.080 0.000 1.011 38 T CB 1.367 70.212 68.868 -0.038 0.000 1.152 38 T HN 0.033 nan 8.240 nan 0.000 0.510 39 P HA 0.001 nan 4.420 nan 0.000 0.220 39 P C 1.609 178.940 177.300 0.052 0.000 1.148 39 P CA 0.161 63.271 63.100 0.017 0.000 0.803 39 P CB -0.010 31.697 31.700 0.012 0.000 0.782 40 L N -1.205 120.057 121.223 0.066 0.000 2.017 40 L HA -0.114 4.226 4.340 0.001 0.000 0.208 40 L C 2.268 179.241 176.870 0.171 0.000 1.073 40 L CA 1.954 56.865 54.840 0.119 0.000 0.745 40 L CB -1.197 40.952 42.059 0.150 0.000 0.894 40 L HN -0.117 nan 8.230 nan 0.000 0.432 41 M N -0.786 118.930 119.600 0.194 0.000 2.108 41 M HA -0.157 4.324 4.480 0.001 0.000 0.261 41 M C 2.152 178.604 176.300 0.253 0.000 1.066 41 M CA 1.819 57.258 55.300 0.231 0.000 1.107 41 M CB -1.085 31.607 32.600 0.152 0.000 1.356 41 M HN 0.493 nan 8.290 nan 0.000 0.406 42 G N -0.051 108.861 108.800 0.185 0.000 2.446 42 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 42 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 42 G C 1.274 176.256 174.900 0.137 0.000 1.168 42 G CA 1.460 46.669 45.100 0.181 0.000 0.771 42 G HN 0.449 nan 8.290 nan 0.000 0.551 43 E N -0.061 120.188 120.200 0.081 0.000 2.077 43 E HA -0.203 4.147 4.350 0.001 0.000 0.193 43 E C 2.051 178.652 176.600 0.001 0.000 0.989 43 E CA 1.288 57.711 56.400 0.037 0.000 0.800 43 E CB -0.672 29.044 29.700 0.027 0.000 0.746 43 E HN 0.544 nan 8.360 nan 0.000 0.452 44 Y N -0.340 119.816 120.300 -0.241 0.000 2.114 44 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 44 Y C 1.719 177.450 175.900 -0.282 0.000 1.165 44 Y CA 2.256 60.080 58.100 -0.460 0.000 1.148 44 Y CB -0.544 37.299 38.460 -1.027 0.000 0.972 44 Y HN 0.116 nan 8.280 nan 0.000 0.504 45 Y N 0.136 120.399 120.300 -0.062 0.000 2.220 45 Y HA -0.107 4.444 4.550 0.000 0.000 0.291 45 Y C 2.836 178.651 175.900 -0.141 0.000 1.129 45 Y CA 1.641 59.652 58.100 -0.148 0.000 1.161 45 Y CB -0.744 37.743 38.460 0.046 0.000 0.997 45 Y HN 0.062 nan 8.280 nan 0.000 0.522 46 R N 0.551 121.094 120.500 0.071 0.000 2.103 46 R HA -0.247 4.093 4.340 0.001 0.000 0.242 46 R C 2.037 178.325 176.300 -0.021 0.000 1.142 46 R CA 1.996 58.106 56.100 0.016 0.000 0.960 46 R CB -0.265 30.047 30.300 0.021 0.000 0.858 46 R HN 0.450 nan 8.270 nan 0.000 0.439 47 Q N -0.403 119.365 119.800 -0.054 0.000 2.248 47 Q HA -0.184 4.156 4.340 0.001 0.000 0.208 47 Q C 1.243 177.212 176.000 -0.053 0.000 0.984 47 Q CA 1.557 57.324 55.803 -0.062 0.000 0.875 47 Q CB 0.027 28.710 28.738 -0.092 0.000 0.910 47 Q HN 0.306 nan 8.270 nan 0.000 0.433 48 R N -0.829 119.616 120.500 -0.091 0.000 2.507 48 R HA 0.255 4.596 4.340 0.001 0.000 0.298 48 R C 1.204 177.490 176.300 -0.024 0.000 0.999 48 R CA 0.150 56.231 56.100 -0.031 0.000 1.082 48 R CB 0.520 30.738 30.300 -0.137 0.000 1.246 48 R HN 0.073 nan 8.270 nan 0.000 0.553 49 A N 0.804 123.613 122.820 -0.018 0.000 2.216 49 A HA -0.109 4.212 4.320 0.001 0.000 0.214 49 A C 1.884 179.472 177.584 0.007 0.000 1.160 49 A CA 1.309 53.333 52.037 -0.021 0.000 0.725 49 A CB -0.241 18.749 19.000 -0.018 0.000 0.784 49 A HN 0.350 nan 8.150 nan 0.000 0.472 50 S N -0.265 115.464 115.700 0.048 0.000 2.561 50 S HA 0.409 4.879 4.470 0.001 0.000 0.225 50 S C 1.018 175.687 174.600 0.114 0.000 0.977 50 S CA 0.248 58.494 58.200 0.076 0.000 0.926 50 S CB -0.685 62.567 63.200 0.085 0.000 0.769 50 S HN 0.893 nan 8.310 nan 0.000 0.533 51 A N 1.459 124.343 122.820 0.107 0.000 2.565 51 A HA 0.507 4.827 4.320 0.001 0.000 0.237 51 A C 1.648 179.252 177.584 0.033 0.000 1.053 51 A CA 0.187 52.289 52.037 0.110 0.000 0.755 51 A CB -0.519 18.398 19.000 -0.139 0.000 0.980 51 A HN 0.428 nan 8.150 nan 0.000 0.506 52 G N 0.963 109.840 108.800 0.128 0.000 2.513 52 G HA2 0.053 4.014 3.960 0.001 0.000 0.219 52 G HA3 0.053 4.014 3.960 0.001 0.000 0.219 52 G C 0.431 175.106 174.900 -0.376 0.000 1.160 52 G CA 1.714 46.848 45.100 0.056 0.000 0.767 52 G HN 1.217 nan 8.290 nan 0.000 0.571 53 L N -0.648 120.128 121.223 -0.745 0.000 2.482 53 L HA 0.578 4.919 4.340 0.001 0.000 0.263 53 L C -1.065 175.500 176.870 -0.509 0.000 0.957 53 L CA -0.824 53.540 54.840 -0.795 0.000 0.836 53 L CB 2.013 43.260 42.059 -1.353 0.000 1.324 53 L HN 0.043 nan 8.230 nan 0.000 0.406 54 I N 5.609 125.979 120.570 -0.334 0.000 2.342 54 I HA 0.360 4.531 4.170 0.001 0.000 0.291 54 I C -0.513 175.485 176.117 -0.199 0.000 1.010 54 I CA -0.317 60.834 61.300 -0.249 0.000 1.308 54 I CB 1.211 39.109 38.000 -0.171 0.000 1.400 54 I HN 0.512 nan 8.210 nan 0.000 0.488 55 I N 5.882 126.366 120.570 -0.143 0.000 2.355 55 I HA 0.157 4.327 4.170 0.001 0.000 0.288 55 I C 0.666 176.760 176.117 -0.039 0.000 0.999 55 I CA -0.349 60.891 61.300 -0.099 0.000 1.163 55 I CB 1.596 39.565 38.000 -0.052 0.000 1.316 55 I HN 0.618 nan 8.210 nan 0.000 0.454 56 S N 5.249 120.885 115.700 -0.106 0.000 2.580 56 S HA 0.093 4.563 4.470 0.001 0.000 0.266 56 S C 0.290 174.917 174.600 0.045 0.000 1.354 56 S CA -0.719 57.483 58.200 0.003 0.000 1.008 56 S CB 0.546 63.624 63.200 -0.203 0.000 0.898 56 S HN 0.695 nan 8.310 nan 0.000 0.555 57 E N 0.961 121.296 120.200 0.226 0.000 2.467 57 E HA 0.205 4.556 4.350 0.001 0.000 0.264 57 E C 0.362 176.828 176.600 -0.224 0.000 1.020 57 E CA -0.175 56.245 56.400 0.033 0.000 0.945 57 E CB 0.114 29.905 29.700 0.152 0.000 0.942 57 E HN 0.876 nan 8.360 nan 0.000 0.449 58 A N 3.352 125.836 122.820 -0.560 0.000 2.587 58 A HA 0.108 4.429 4.320 0.001 0.000 0.235 58 A C -0.099 176.980 177.584 -0.842 0.000 1.044 58 A CA 0.531 51.908 52.037 -1.101 0.000 0.754 58 A CB -0.023 17.456 19.000 -2.535 0.000 0.968 58 A HN 0.615 nan 8.150 nan 0.000 0.509 59 T N 3.258 117.470 114.554 -0.569 0.000 2.879 59 T HA 0.412 4.762 4.350 0.001 0.000 0.290 59 T C -0.502 174.364 174.700 0.277 0.000 0.993 59 T CA -0.414 61.675 62.100 -0.018 0.000 0.975 59 T CB 1.339 70.165 68.868 -0.069 0.000 0.981 59 T HN 0.700 nan 8.240 nan 0.000 0.439 60 Q N 2.006 122.098 119.800 0.487 0.000 2.315 60 Q HA 0.172 4.512 4.340 0.001 0.000 0.289 60 Q C 1.555 177.692 176.000 0.227 0.000 1.044 60 Q CA 0.030 56.064 55.803 0.385 0.000 0.920 60 Q CB 0.278 29.180 28.738 0.273 0.000 1.214 60 Q HN 0.784 nan 8.270 nan 0.000 0.392 61 I N -1.413 119.177 120.570 0.034 0.000 3.428 61 I HA 0.110 4.281 4.170 0.001 0.000 0.286 61 I C 0.225 176.305 176.117 -0.061 0.000 1.287 61 I CA 0.087 61.344 61.300 -0.071 0.000 1.396 61 I CB 0.006 37.773 38.000 -0.389 0.000 1.062 61 I HN 0.429 nan 8.210 nan 0.000 0.471 62 S N -0.554 115.048 115.700 -0.163 0.000 2.615 62 S HA 0.649 5.119 4.470 0.001 0.000 0.268 62 S C 0.327 174.509 174.600 -0.696 0.000 1.146 62 S CA -0.299 57.581 58.200 -0.534 0.000 0.818 62 S CB 1.280 64.303 63.200 -0.296 0.000 1.111 62 S HN 0.109 nan 8.310 nan 0.000 0.465 63 A N 0.670 122.992 122.820 -0.831 0.000 1.969 63 A HA -0.007 4.314 4.320 0.001 0.000 0.218 63 A C 2.055 179.504 177.584 -0.226 0.000 1.169 63 A CA 1.656 53.478 52.037 -0.358 0.000 0.635 63 A CB -0.979 17.901 19.000 -0.199 0.000 0.810 63 A HN 0.880 nan 8.150 nan 0.000 0.445 64 Q N -0.321 119.339 119.800 -0.233 0.000 2.170 64 Q HA -0.123 4.218 4.340 0.001 0.000 0.203 64 Q C 2.043 177.805 176.000 -0.397 0.000 0.976 64 Q CA 1.299 57.000 55.803 -0.169 0.000 0.858 64 Q CB -0.313 28.409 28.738 -0.028 0.000 0.907 64 Q HN 0.603 nan 8.270 nan 0.000 0.433 65 A N 1.184 123.609 122.820 -0.659 0.000 2.125 65 A HA -0.125 4.196 4.320 0.001 0.000 0.219 65 A C 1.139 178.330 177.584 -0.654 0.000 1.156 65 A CA 0.591 51.956 52.037 -1.121 0.000 0.671 65 A CB -0.353 18.237 19.000 -0.683 0.000 0.794 65 A HN 0.277 nan 8.150 nan 0.000 0.459 66 K N 0.042 120.240 120.400 -0.338 0.000 2.416 66 K HA 0.267 4.588 4.320 0.001 0.000 0.283 66 K C 0.795 177.302 176.600 -0.156 0.000 1.037 66 K CA 0.549 56.737 56.287 -0.164 0.000 0.995 66 K CB 0.335 32.824 32.500 -0.018 0.000 0.938 66 K HN 0.134 nan 8.250 nan 0.000 0.475 67 G N 3.524 112.260 108.800 -0.106 0.000 3.342 67 G HA2 0.111 4.071 3.960 0.001 0.000 0.252 67 G HA3 0.111 4.071 3.960 0.001 0.000 0.252 67 G C -0.845 174.008 174.900 -0.079 0.000 1.011 67 G CA -0.032 45.024 45.100 -0.073 0.000 0.869 67 G HN 0.577 nan 8.290 nan 0.000 0.514 68 Y N 0.664 120.958 120.300 -0.011 0.000 2.346 68 Y HA 0.587 5.137 4.550 0.001 0.000 0.332 68 Y C 0.323 176.262 175.900 0.065 0.000 0.985 68 Y CA -1.283 56.851 58.100 0.056 0.000 1.112 68 Y CB 2.117 40.666 38.460 0.149 0.000 1.170 68 Y HN 0.116 nan 8.280 nan 0.000 0.447 69 A N 2.118 125.025 122.820 0.145 0.000 2.522 69 A HA 0.433 4.753 4.320 0.001 0.000 0.256 69 A C 1.288 178.957 177.584 0.141 0.000 1.086 69 A CA 1.134 53.236 52.037 0.109 0.000 0.763 69 A CB -0.844 18.184 19.000 0.047 0.000 1.024 69 A HN 1.544 nan 8.150 nan 0.000 0.502 70 G N 0.981 109.856 108.800 0.125 0.000 2.195 70 G HA2 0.182 4.143 3.960 0.001 0.000 0.224 70 G HA3 0.182 4.143 3.960 0.001 0.000 0.224 70 G C 0.526 175.501 174.900 0.125 0.000 0.990 70 G CA 0.173 45.334 45.100 0.100 0.000 0.639 70 G HN 2.127 nan 8.290 nan 0.000 0.514 71 A N 1.732 124.674 122.820 0.203 0.000 2.401 71 A HA 0.719 5.039 4.320 0.001 0.000 0.259 71 A C -1.384 176.337 177.584 0.227 0.000 1.103 71 A CA -0.690 51.490 52.037 0.238 0.000 0.789 71 A CB 0.531 19.775 19.000 0.407 0.000 1.035 71 A HN 0.220 nan 8.150 nan 0.000 0.491 72 P HA 0.402 nan 4.420 nan 0.000 0.274 72 P C 0.243 177.734 177.300 0.318 0.000 1.246 72 P CA 0.025 63.265 63.100 0.234 0.000 0.795 72 P CB 1.013 32.905 31.700 0.320 0.000 1.006 73 G N -0.119 108.839 108.800 0.263 0.000 2.568 73 G HA2 0.537 4.497 3.960 0.001 0.000 0.313 73 G HA3 0.537 4.497 3.960 0.001 0.000 0.313 73 G C -1.278 173.778 174.900 0.261 0.000 1.227 73 G CA -0.503 44.734 45.100 0.229 0.000 0.979 73 G HN 0.480 nan 8.290 nan 0.000 0.486 74 L N 0.027 121.348 121.223 0.165 0.000 3.186 74 L HA 0.398 4.738 4.340 0.001 0.000 0.317 74 L C 0.656 177.584 176.870 0.097 0.000 1.296 74 L CA -0.567 54.356 54.840 0.138 0.000 0.870 74 L CB -0.535 41.536 42.059 0.019 0.000 1.302 74 L HN 0.793 nan 8.230 nan 0.000 0.590 75 H N -3.244 115.887 119.070 0.102 0.000 3.241 75 H HA 0.538 5.095 4.556 0.001 0.000 0.260 75 H C 0.636 175.998 175.328 0.056 0.000 1.084 75 H CA 0.305 56.386 56.048 0.055 0.000 1.203 75 H CB 0.064 29.843 29.762 0.027 0.000 1.524 75 H HN 0.231 nan 8.280 nan 0.000 0.521 76 S N -0.118 115.518 115.700 -0.106 0.000 2.621 76 S HA 0.371 4.841 4.470 0.001 0.000 0.302 76 S C -1.981 172.624 174.600 0.008 0.000 1.093 76 S CA -1.570 56.619 58.200 -0.018 0.000 1.017 76 S CB 2.660 65.826 63.200 -0.057 0.000 1.077 76 S HN -0.127 nan 8.310 nan 0.000 0.517 77 P HA -0.040 nan 4.420 nan 0.000 0.217 77 P C 1.250 178.562 177.300 0.020 0.000 1.150 77 P CA 1.086 64.201 63.100 0.025 0.000 0.832 77 P CB 0.070 31.782 31.700 0.021 0.000 0.787 78 E N -0.268 119.935 120.200 0.005 0.000 2.058 78 E HA -0.247 4.104 4.350 0.001 0.000 0.194 78 E C 2.146 178.739 176.600 -0.011 0.000 0.997 78 E CA 1.298 57.693 56.400 -0.007 0.000 0.801 78 E CB -0.309 29.381 29.700 -0.017 0.000 0.746 78 E HN 0.400 nan 8.360 nan 0.000 0.450 79 Q N 0.179 119.973 119.800 -0.010 0.000 2.084 79 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 79 Q C 2.271 178.380 176.000 0.182 0.000 0.978 79 Q CA 1.128 56.952 55.803 0.035 0.000 0.844 79 Q CB -0.059 28.693 28.738 0.022 0.000 0.898 79 Q HN 0.323 nan 8.270 nan 0.000 0.426 80 I N 0.429 121.096 120.570 0.162 0.000 2.252 80 I HA -0.258 3.913 4.170 0.001 0.000 0.245 80 I C 2.396 178.604 176.117 0.151 0.000 1.102 80 I CA 0.867 62.288 61.300 0.202 0.000 1.385 80 I CB -0.385 37.683 38.000 0.113 0.000 1.064 80 I HN 0.172 nan 8.210 nan 0.000 0.414 81 A N 0.823 123.689 122.820 0.077 0.000 1.908 81 A HA -0.195 4.126 4.320 0.001 0.000 0.218 81 A C 2.540 180.144 177.584 0.032 0.000 1.181 81 A CA 1.978 54.041 52.037 0.043 0.000 0.627 81 A CB -0.883 18.128 19.000 0.019 0.000 0.818 81 A HN 0.432 nan 8.150 nan 0.000 0.445 82 A N -1.622 121.198 122.820 -0.000 0.000 1.933 82 A HA -0.151 4.169 4.320 0.001 0.000 0.218 82 A C 2.007 179.554 177.584 -0.062 0.000 1.175 82 A CA 1.299 53.291 52.037 -0.074 0.000 0.628 82 A CB -0.883 18.016 19.000 -0.169 0.000 0.814 82 A HN 0.756 nan 8.150 nan 0.000 0.444 83 W N 0.215 121.516 121.300 0.003 0.000 2.388 83 W HA -0.090 4.569 4.660 -0.001 0.000 0.294 83 W C 2.350 178.778 176.519 -0.152 0.000 1.212 83 W CA 1.305 58.629 57.345 -0.034 0.000 1.271 83 W CB 0.017 29.510 29.460 0.055 0.000 1.126 83 W HN 0.224 nan 8.180 nan 0.000 0.535 84 K N 0.602 121.075 120.400 0.122 0.000 2.059 84 K HA -0.250 4.071 4.320 0.001 0.000 0.212 84 K C 1.752 178.349 176.600 -0.005 0.000 1.050 84 K CA 1.938 58.233 56.287 0.014 0.000 0.927 84 K CB -0.361 32.153 32.500 0.024 0.000 0.714 84 K HN 0.172 nan 8.250 nan 0.000 0.447 85 K N 0.623 121.029 120.400 0.009 0.000 2.057 85 K HA -0.094 4.227 4.320 0.001 0.000 0.207 85 K C 2.131 178.729 176.600 -0.003 0.000 1.049 85 K CA 1.292 57.579 56.287 0.001 0.000 0.931 85 K CB -0.156 32.343 32.500 -0.002 0.000 0.714 85 K HN 0.112 nan 8.250 nan 0.000 0.440 86 I N 1.204 121.781 120.570 0.012 0.000 2.226 86 I HA -0.299 3.871 4.170 0.001 0.000 0.245 86 I C 2.589 178.667 176.117 -0.065 0.000 1.100 86 I CA 1.703 63.025 61.300 0.036 0.000 1.374 86 I CB -0.787 37.296 38.000 0.139 0.000 1.057 86 I HN 0.367 nan 8.210 nan 0.000 0.413 87 T N -0.790 113.659 114.554 -0.174 0.000 2.857 87 T HA -0.038 4.313 4.350 0.001 0.000 0.266 87 T C 2.059 176.576 174.700 -0.304 0.000 1.048 87 T CA 0.838 62.703 62.100 -0.391 0.000 1.139 87 T CB -0.538 68.032 68.868 -0.496 0.000 0.874 87 T HN 0.326 nan 8.240 nan 0.000 0.455 88 A N 2.236 125.009 122.820 -0.078 0.000 1.873 88 A HA 0.120 4.441 4.320 0.001 0.000 0.218 88 A C 2.779 180.361 177.584 -0.003 0.000 1.193 88 A CA 2.098 54.151 52.037 0.026 0.000 0.629 88 A CB -1.796 17.220 19.000 0.025 0.000 0.826 88 A HN 0.635 nan 8.150 nan 0.000 0.447 89 G N -0.630 108.153 108.800 -0.027 0.000 2.476 89 G HA2 -0.214 3.746 3.960 0.001 0.000 0.218 89 G HA3 -0.214 3.746 3.960 0.001 0.000 0.218 89 G C 1.527 176.404 174.900 -0.039 0.000 1.164 89 G CA 1.492 46.583 45.100 -0.015 0.000 0.768 89 G HN 0.392 nan 8.290 nan 0.000 0.560 90 V N 0.318 120.160 119.914 -0.120 0.000 2.407 90 V HA -0.209 3.912 4.120 0.001 0.000 0.248 90 V C 2.407 178.439 176.094 -0.103 0.000 1.055 90 V CA 2.309 64.519 62.300 -0.149 0.000 1.049 90 V CB -0.778 30.881 31.823 -0.275 0.000 0.662 90 V HN 0.572 nan 8.190 nan 0.000 0.455 91 H N -0.249 118.805 119.070 -0.028 0.000 2.395 91 H HA 0.024 4.579 4.556 -0.001 0.000 0.299 91 H C 2.308 177.627 175.328 -0.016 0.000 1.070 91 H CA 1.005 57.037 56.048 -0.027 0.000 1.356 91 H CB -0.104 29.639 29.762 -0.032 0.000 1.401 91 H HN 0.455 nan 8.280 nan 0.000 0.524 92 A N 1.068 123.947 122.820 0.098 0.000 1.940 92 A HA -0.164 4.157 4.320 0.001 0.000 0.219 92 A C 1.820 179.426 177.584 0.038 0.000 1.176 92 A CA 1.442 53.511 52.037 0.054 0.000 0.631 92 A CB -0.055 18.965 19.000 0.035 0.000 0.814 92 A HN 0.281 nan 8.150 nan 0.000 0.446 93 E N -0.425 119.792 120.200 0.028 0.000 2.463 93 E HA 0.013 4.364 4.350 0.001 0.000 0.191 93 E C -0.163 176.454 176.600 0.027 0.000 1.083 93 E CA 0.549 56.961 56.400 0.021 0.000 0.872 93 E CB -0.326 29.380 29.700 0.009 0.000 0.966 93 E HN 0.541 nan 8.360 nan 0.000 0.491 94 D N -0.303 120.124 120.400 0.045 0.000 2.837 94 D HA -0.143 4.498 4.640 0.001 0.000 0.230 94 D C 0.358 176.684 176.300 0.044 0.000 1.152 94 D CA 1.116 55.145 54.000 0.048 0.000 0.736 94 D CB -1.013 39.806 40.800 0.031 0.000 1.084 94 D HN 0.337 nan 8.370 nan 0.000 0.429 95 G N -0.454 108.370 108.800 0.041 0.000 2.531 95 G HA2 0.761 4.721 3.960 0.001 0.000 0.313 95 G HA3 0.761 4.721 3.960 0.001 0.000 0.313 95 G C -0.379 174.544 174.900 0.038 0.000 1.238 95 G CA -0.807 44.296 45.100 0.005 0.000 0.994 95 G HN 0.196 nan 8.290 nan 0.000 0.493 96 R N -1.121 119.357 120.500 -0.036 0.000 2.628 96 R HA 0.595 4.936 4.340 0.001 0.000 0.288 96 R C -1.142 175.097 176.300 -0.101 0.000 0.980 96 R CA -0.546 55.542 56.100 -0.019 0.000 0.891 96 R CB 2.579 32.842 30.300 -0.062 0.000 1.188 96 R HN 0.440 nan 8.270 nan 0.000 0.450 97 I N 1.467 122.002 120.570 -0.058 0.000 2.499 97 I HA 0.647 4.818 4.170 0.001 0.000 0.288 97 I C -1.140 175.031 176.117 0.090 0.000 1.048 97 I CA -0.578 60.686 61.300 -0.059 0.000 1.062 97 I CB 1.632 39.553 38.000 -0.132 0.000 1.238 97 I HN 0.818 nan 8.210 nan 0.000 0.426 98 A N 6.475 129.288 122.820 -0.012 0.000 2.312 98 A HA 0.664 4.984 4.320 0.001 0.000 0.328 98 A C -1.157 176.268 177.584 -0.265 0.000 1.158 98 A CA -0.514 51.494 52.037 -0.048 0.000 0.821 98 A CB 1.728 20.701 19.000 -0.045 0.000 1.170 98 A HN 0.557 nan 8.150 nan 0.000 0.490 99 V N 2.354 121.881 119.914 -0.645 0.000 2.407 99 V HA 0.330 4.450 4.120 0.001 0.000 0.278 99 V C 0.165 175.949 176.094 -0.515 0.000 1.037 99 V CA -0.423 61.269 62.300 -1.013 0.000 0.900 99 V CB 1.294 31.881 31.823 -2.061 0.000 0.983 99 V HN 0.970 nan 8.190 nan 0.000 0.459 100 Q N 5.994 125.554 119.800 -0.400 0.000 2.294 100 Q HA 0.468 4.809 4.340 0.001 0.000 0.257 100 Q C -1.436 174.416 176.000 -0.245 0.000 0.955 100 Q CA -0.410 55.232 55.803 -0.269 0.000 0.936 100 Q CB 1.075 29.644 28.738 -0.282 0.000 1.188 100 Q HN 0.773 nan 8.270 nan 0.000 0.420 101 L N 5.560 126.744 121.223 -0.064 0.000 2.307 101 L HA 0.605 4.945 4.340 0.001 0.000 0.284 101 L C -0.746 176.345 176.870 0.368 0.000 1.023 101 L CA -0.930 53.959 54.840 0.083 0.000 0.810 101 L CB 0.798 42.945 42.059 0.147 0.000 1.231 101 L HN 0.698 nan 8.230 nan 0.000 0.423 102 W N 2.078 123.447 121.300 0.115 0.000 2.975 102 W HA 0.502 5.163 4.660 0.001 0.000 0.342 102 W C -1.368 175.166 176.519 0.024 0.000 1.168 102 W CA -1.166 56.270 57.345 0.152 0.000 1.141 102 W CB 0.403 29.859 29.460 -0.006 0.000 1.445 102 W HN 0.376 nan 8.180 nan 0.000 0.560 103 H N 1.522 120.686 119.070 0.157 0.000 2.505 103 H HA 0.252 4.808 4.556 0.001 0.000 0.338 103 H C 0.897 176.105 175.328 -0.201 0.000 1.057 103 H CA 0.441 56.409 56.048 -0.132 0.000 1.202 103 H CB 2.182 31.927 29.762 -0.028 0.000 1.466 103 H HN 0.604 nan 8.280 nan 0.000 0.499 104 T N 1.256 115.566 114.554 -0.407 0.000 3.085 104 T HA 0.134 4.484 4.350 0.001 0.000 0.263 104 T C 1.425 176.242 174.700 0.195 0.000 1.127 104 T CA 0.489 62.459 62.100 -0.216 0.000 1.103 104 T CB -0.012 68.595 68.868 -0.436 0.000 0.921 104 T HN 0.817 nan 8.240 nan 0.000 0.510 105 G N 3.385 112.413 108.800 0.380 0.000 2.672 105 G HA2 -0.477 3.484 3.960 0.001 0.000 0.324 105 G HA3 -0.477 3.484 3.960 0.001 0.000 0.324 105 G C 0.966 175.939 174.900 0.122 0.000 1.286 105 G CA 1.006 46.252 45.100 0.244 0.000 1.004 105 G HN 0.813 nan 8.290 nan 0.000 0.548 106 R N 0.407 120.949 120.500 0.069 0.000 2.285 106 R HA 0.182 4.523 4.340 0.001 0.000 0.213 106 R C 1.476 177.786 176.300 0.016 0.000 1.068 106 R CA 1.192 57.304 56.100 0.020 0.000 1.004 106 R CB -0.267 30.026 30.300 -0.011 0.000 0.873 106 R HN 0.482 nan 8.270 nan 0.000 0.467 107 I N 2.114 122.717 120.570 0.056 0.000 2.268 107 I HA 0.084 4.254 4.170 0.001 0.000 0.298 107 I C -0.003 176.111 176.117 -0.004 0.000 1.185 107 I CA -0.098 61.236 61.300 0.056 0.000 1.548 107 I CB 0.128 38.234 38.000 0.177 0.000 1.492 107 I HN 0.199 nan 8.210 nan 0.000 0.711 108 S N 3.722 119.393 115.700 -0.049 0.000 2.703 108 S HA 0.443 4.913 4.470 0.001 0.000 0.273 108 S C -1.574 173.021 174.600 -0.009 0.000 1.178 108 S CA -0.594 57.564 58.200 -0.071 0.000 0.838 108 S CB 1.832 64.998 63.200 -0.056 0.000 1.178 108 S HN 0.571 nan 8.310 nan 0.000 0.494 109 H N 0.647 119.657 119.070 -0.100 0.000 2.771 109 H HA 0.377 4.933 4.556 0.001 0.000 0.361 109 H C 1.144 176.439 175.328 -0.054 0.000 1.108 109 H CA 0.309 56.312 56.048 -0.076 0.000 1.201 109 H CB 2.168 31.880 29.762 -0.083 0.000 1.681 109 H HN 0.744 nan 8.280 nan 0.000 0.534 110 S N 2.315 117.802 115.700 -0.356 0.000 2.387 110 S HA -0.264 4.206 4.470 0.001 0.000 0.230 110 S C 2.060 176.646 174.600 -0.023 0.000 1.035 110 S CA 1.770 59.863 58.200 -0.178 0.000 1.014 110 S CB -0.508 62.557 63.200 -0.225 0.000 0.836 110 S HN 0.634 nan 8.310 nan 0.000 0.466 111 S N 2.545 118.331 115.700 0.144 0.000 2.442 111 S HA -0.060 4.411 4.470 0.001 0.000 0.236 111 S C 1.497 176.159 174.600 0.103 0.000 1.007 111 S CA 0.873 59.182 58.200 0.182 0.000 0.965 111 S CB -0.921 62.456 63.200 0.295 0.000 0.773 111 S HN 0.826 nan 8.310 nan 0.000 0.504 112 I N -1.438 119.190 120.570 0.096 0.000 3.914 112 I HA 0.432 4.602 4.170 0.001 0.000 0.333 112 I C 0.062 176.190 176.117 0.018 0.000 1.449 112 I CA -0.719 60.608 61.300 0.046 0.000 1.135 112 I CB -0.268 37.756 38.000 0.040 0.000 1.073 112 I HN 0.005 nan 8.210 nan 0.000 0.401 113 Q N 2.273 122.076 119.800 0.005 0.000 2.230 113 Q HA 0.455 4.795 4.340 0.001 0.000 0.248 113 Q C -2.335 173.658 176.000 -0.011 0.000 0.915 113 Q CA -1.899 53.895 55.803 -0.016 0.000 0.900 113 Q CB 0.833 29.555 28.738 -0.027 0.000 1.229 113 Q HN 0.066 nan 8.270 nan 0.000 0.439 114 P HA -0.094 nan 4.420 nan 0.000 0.259 114 P C 0.509 177.802 177.300 -0.011 0.000 1.163 114 P CA 1.298 64.390 63.100 -0.013 0.000 0.760 114 P CB 0.091 31.777 31.700 -0.022 0.000 0.762 115 G N 3.316 112.113 108.800 -0.005 0.000 2.166 115 G HA2 -0.181 3.779 3.960 0.001 0.000 0.260 115 G HA3 -0.181 3.779 3.960 0.001 0.000 0.260 115 G C 0.915 175.810 174.900 -0.008 0.000 0.986 115 G CA 0.509 45.605 45.100 -0.006 0.000 0.683 115 G HN 1.055 nan 8.290 nan 0.000 0.527 116 G N -1.259 107.537 108.800 -0.008 0.000 2.203 116 G HA2 -0.301 3.660 3.960 0.001 0.000 0.263 116 G HA3 -0.301 3.660 3.960 0.001 0.000 0.263 116 G C 0.432 175.314 174.900 -0.029 0.000 1.012 116 G CA 1.345 46.438 45.100 -0.012 0.000 0.749 116 G HN 1.134 nan 8.290 nan 0.000 0.512 117 Q N -0.268 119.515 119.800 -0.028 0.000 2.454 117 Q HA 0.551 4.891 4.340 0.001 0.000 0.247 117 Q C 0.994 176.963 176.000 -0.051 0.000 1.028 117 Q CA -0.033 55.749 55.803 -0.035 0.000 0.910 117 Q CB 0.620 29.343 28.738 -0.024 0.000 1.276 117 Q HN 0.793 nan 8.270 nan 0.000 0.489 118 A N 3.096 125.883 122.820 -0.055 0.000 2.540 118 A HA 0.178 4.498 4.320 0.001 0.000 0.239 118 A C -1.910 175.650 177.584 -0.040 0.000 1.061 118 A CA -0.848 51.152 52.037 -0.062 0.000 0.758 118 A CB -0.467 18.501 19.000 -0.054 0.000 0.991 118 A HN 0.473 nan 8.150 nan 0.000 0.502 119 P HA 0.375 nan 4.420 nan 0.000 0.275 119 P C -0.256 177.051 177.300 0.011 0.000 1.266 119 P CA -0.110 62.989 63.100 -0.002 0.000 0.793 119 P CB 0.756 32.453 31.700 -0.004 0.000 1.074 120 V N -3.610 116.333 119.914 0.048 0.000 2.994 120 V HA 0.892 5.013 4.120 0.001 0.000 0.318 120 V C -0.080 176.023 176.094 0.014 0.000 1.085 120 V CA -0.581 61.730 62.300 0.019 0.000 0.998 120 V CB 1.103 32.931 31.823 0.009 0.000 1.063 120 V HN 0.833 nan 8.190 nan 0.000 0.447 121 S N 0.433 116.127 115.700 -0.011 0.000 2.757 121 S HA 0.739 5.209 4.470 0.001 0.000 0.285 121 S C 0.941 175.463 174.600 -0.129 0.000 1.196 121 S CA 0.204 58.382 58.200 -0.037 0.000 0.856 121 S CB 1.088 64.247 63.200 -0.068 0.000 1.212 121 S HN 1.780 nan 8.310 nan 0.000 0.516 122 A N 0.781 123.346 122.820 -0.424 0.000 1.930 122 A HA 0.369 4.690 4.320 0.001 0.000 0.217 122 A C 0.927 178.294 177.584 -0.362 0.000 1.175 122 A CA 1.464 53.006 52.037 -0.825 0.000 0.627 122 A CB -0.640 17.544 19.000 -1.361 0.000 0.815 122 A HN 0.711 nan 8.150 nan 0.000 0.443 123 S N -3.215 112.338 115.700 -0.245 0.000 2.697 123 S HA 0.634 5.104 4.470 0.001 0.000 0.289 123 S C -0.432 174.107 174.600 -0.102 0.000 1.149 123 S CA -0.093 58.019 58.200 -0.147 0.000 0.850 123 S CB 1.764 64.880 63.200 -0.140 0.000 1.151 123 S HN 0.756 nan 8.310 nan 0.000 0.491 124 A N 1.620 124.395 122.820 -0.075 0.000 3.015 124 A HA 0.657 4.977 4.320 0.001 0.000 0.293 124 A C -0.869 176.682 177.584 -0.056 0.000 1.572 124 A CA -0.140 51.862 52.037 -0.059 0.000 1.274 124 A CB -1.044 17.928 19.000 -0.046 0.000 1.156 124 A HN 0.541 nan 8.150 nan 0.000 0.562 125 L N 1.278 122.464 121.223 -0.061 0.000 2.464 125 L HA 0.361 4.701 4.340 0.001 0.000 0.266 125 L C 0.054 176.894 176.870 -0.049 0.000 0.965 125 L CA -0.733 54.075 54.840 -0.054 0.000 0.833 125 L CB 1.777 43.800 42.059 -0.060 0.000 1.296 125 L HN 0.494 nan 8.230 nan 0.000 0.405 126 N N 1.292 119.968 118.700 -0.041 0.000 2.458 126 N HA 0.079 4.819 4.740 0.001 0.000 0.258 126 N C 0.898 176.388 175.510 -0.034 0.000 1.219 126 N CA 0.556 53.585 53.050 -0.035 0.000 0.902 126 N CB 1.923 40.392 38.487 -0.029 0.000 1.076 126 N HN 0.869 nan 8.380 nan 0.000 0.455 127 A N 3.684 126.485 122.820 -0.031 0.000 2.076 127 A HA -0.160 4.161 4.320 0.001 0.000 0.220 127 A C 0.714 178.286 177.584 -0.019 0.000 1.160 127 A CA 0.779 52.799 52.037 -0.028 0.000 0.653 127 A CB -0.279 18.707 19.000 -0.023 0.000 0.801 127 A HN 0.894 nan 8.150 nan 0.000 0.455 128 N N -0.955 117.735 118.700 -0.016 0.000 2.740 128 N HA -0.129 4.611 4.740 0.001 0.000 0.248 128 N C 0.046 175.555 175.510 -0.002 0.000 1.062 128 N CA 1.474 54.518 53.050 -0.010 0.000 0.704 128 N CB -1.545 36.934 38.487 -0.012 0.000 0.968 128 N HN 0.684 nan 8.380 nan 0.000 0.547 129 T N -1.606 112.947 114.554 -0.000 0.000 2.618 129 T HA 0.635 4.985 4.350 0.001 0.000 0.293 129 T C -0.862 173.840 174.700 0.003 0.000 1.093 129 T CA -0.605 61.501 62.100 0.009 0.000 1.061 129 T CB 1.368 70.249 68.868 0.021 0.000 1.498 129 T HN 0.147 nan 8.240 nan 0.000 0.494 130 R N 0.242 120.745 120.500 0.006 0.000 2.854 130 R HA 0.719 5.059 4.340 0.001 0.000 0.271 130 R C -0.808 175.451 176.300 -0.069 0.000 0.996 130 R CA -0.799 55.286 56.100 -0.024 0.000 0.961 130 R CB 1.919 32.208 30.300 -0.018 0.000 1.182 130 R HN 0.597 nan 8.270 nan 0.000 0.479 131 T N -0.924 113.526 114.554 -0.173 0.000 2.883 131 T HA 0.337 4.688 4.350 0.001 0.000 0.284 131 T C -0.944 173.551 174.700 -0.342 0.000 1.041 131 T CA -0.490 61.348 62.100 -0.436 0.000 1.007 131 T CB 1.604 70.095 68.868 -0.629 0.000 1.220 131 T HN 0.413 nan 8.240 nan 0.000 0.552 132 S N 1.905 117.349 115.700 -0.427 0.000 2.474 132 S HA 0.678 5.149 4.470 0.001 0.000 0.321 132 S C -1.015 173.525 174.600 -0.100 0.000 1.080 132 S CA -0.695 57.419 58.200 -0.144 0.000 1.106 132 S CB -0.031 63.154 63.200 -0.025 0.000 0.984 132 S HN 0.435 nan 8.310 nan 0.000 0.464 133 L N 3.863 125.027 121.223 -0.098 0.000 2.341 133 L HA 0.690 5.030 4.340 0.001 0.000 0.267 133 L C 0.445 177.294 176.870 -0.035 0.000 1.022 133 L CA -0.657 54.136 54.840 -0.078 0.000 0.844 133 L CB 0.966 42.934 42.059 -0.151 0.000 1.436 133 L HN 0.661 nan 8.230 nan 0.000 0.483 134 R N -0.273 120.209 120.500 -0.030 0.000 2.599 134 R HA 0.397 4.737 4.340 0.001 0.000 0.295 134 R C -1.157 175.129 176.300 -0.024 0.000 0.963 134 R CA -0.783 55.309 56.100 -0.013 0.000 0.883 134 R CB 1.690 31.992 30.300 0.003 0.000 1.171 134 R HN 0.736 nan 8.270 nan 0.000 0.450 135 D N 1.343 121.733 120.400 -0.018 0.000 2.440 135 D HA 0.100 4.740 4.640 0.001 0.000 0.269 135 D C 1.239 177.532 176.300 -0.012 0.000 1.249 135 D CA -0.093 53.896 54.000 -0.019 0.000 1.055 135 D CB 0.255 41.046 40.800 -0.015 0.000 1.104 135 D HN 0.499 nan 8.370 nan 0.000 0.561 136 E N -0.639 119.554 120.200 -0.010 0.000 2.118 136 E HA -0.224 4.127 4.350 0.001 0.000 0.195 136 E C 1.486 178.083 176.600 -0.004 0.000 0.992 136 E CA 1.782 58.178 56.400 -0.006 0.000 0.804 136 E CB -1.341 28.356 29.700 -0.005 0.000 0.741 136 E HN 0.671 nan 8.360 nan 0.000 0.458 137 N N -0.744 117.954 118.700 -0.004 0.000 2.383 137 N HA 0.343 5.083 4.740 0.001 0.000 0.192 137 N C 1.223 176.732 175.510 -0.001 0.000 1.141 137 N CA 0.256 53.304 53.050 -0.002 0.000 0.851 137 N CB 0.786 39.273 38.487 -0.001 0.000 0.976 137 N HN 0.521 nan 8.380 nan 0.000 0.465 138 G N 0.775 109.574 108.800 -0.001 0.000 2.168 138 G HA2 -0.332 3.628 3.960 0.001 0.000 0.257 138 G HA3 -0.332 3.628 3.960 0.001 0.000 0.257 138 G C -0.442 174.461 174.900 0.004 0.000 0.997 138 G CA 0.028 45.128 45.100 0.001 0.000 0.708 138 G HN 0.468 nan 8.290 nan 0.000 0.520 139 N N 0.396 119.099 118.700 0.005 0.000 2.513 139 N HA 0.598 5.339 4.740 0.001 0.000 0.274 139 N C 0.483 176.004 175.510 0.017 0.000 1.189 139 N CA -0.076 52.981 53.050 0.012 0.000 0.975 139 N CB 0.960 39.454 38.487 0.011 0.000 1.157 139 N HN 0.531 nan 8.380 nan 0.000 0.465 140 A N 1.561 124.402 122.820 0.036 0.000 2.440 140 A HA 0.465 4.786 4.320 0.001 0.000 0.251 140 A C 0.079 177.679 177.584 0.026 0.000 1.089 140 A CA -0.269 51.795 52.037 0.044 0.000 0.779 140 A CB -0.412 18.645 19.000 0.095 0.000 1.022 140 A HN 0.733 nan 8.150 nan 0.000 0.492 141 I N -0.389 120.180 120.570 -0.001 0.000 2.686 141 I HA 0.602 4.772 4.170 0.001 0.000 0.295 141 I C -0.504 175.588 176.117 -0.041 0.000 1.114 141 I CA -1.258 60.032 61.300 -0.017 0.000 1.038 141 I CB 1.885 39.864 38.000 -0.035 0.000 1.238 141 I HN 0.385 nan 8.210 nan 0.000 0.420 142 R N 3.712 124.192 120.500 -0.033 0.000 2.390 142 R HA 0.695 5.036 4.340 0.001 0.000 0.291 142 R C -0.813 175.447 176.300 -0.067 0.000 1.070 142 R CA -0.696 55.374 56.100 -0.050 0.000 1.014 142 R CB 1.623 31.912 30.300 -0.018 0.000 1.007 142 R HN 0.591 nan 8.270 nan 0.000 0.466 143 V N 2.151 122.008 119.914 -0.095 0.000 2.841 143 V HA 0.141 4.262 4.120 0.001 0.000 0.310 143 V C -0.411 175.652 176.094 -0.052 0.000 1.090 143 V CA -1.125 61.114 62.300 -0.101 0.000 0.930 143 V CB 2.644 34.337 31.823 -0.216 0.000 1.014 143 V HN 0.578 nan 8.190 nan 0.000 0.425 144 D N 2.642 123.037 120.400 -0.008 0.000 2.455 144 D HA 0.261 4.902 4.640 0.001 0.000 0.241 144 D C 0.602 176.951 176.300 0.081 0.000 1.138 144 D CA 0.393 54.408 54.000 0.025 0.000 0.877 144 D CB 1.053 41.870 40.800 0.030 0.000 1.187 144 D HN 0.809 nan 8.370 nan 0.000 0.451 145 T N -0.695 113.883 114.554 0.041 0.000 2.904 145 T HA 0.331 4.681 4.350 0.001 0.000 0.290 145 T C 0.408 175.110 174.700 0.004 0.000 1.018 145 T CA -0.853 61.270 62.100 0.039 0.000 1.075 145 T CB 0.707 69.570 68.868 -0.008 0.000 0.986 145 T HN 0.134 nan 8.240 nan 0.000 0.523 146 T N 2.924 117.442 114.554 -0.061 0.000 2.907 146 T HA 0.270 4.620 4.350 0.001 0.000 0.298 146 T C 0.568 175.218 174.700 -0.083 0.000 1.017 146 T CA -0.443 61.574 62.100 -0.138 0.000 1.118 146 T CB 0.421 69.124 68.868 -0.275 0.000 0.948 146 T HN 0.757 nan 8.240 nan 0.000 0.531 147 T N 6.037 120.546 114.554 -0.076 0.000 2.888 147 T HA 0.261 4.611 4.350 0.001 0.000 0.301 147 T C -2.043 172.623 174.700 -0.058 0.000 1.001 147 T CA -0.759 61.307 62.100 -0.057 0.000 1.147 147 T CB 0.257 69.095 68.868 -0.050 0.000 0.931 147 T HN 0.411 nan 8.240 nan 0.000 0.541 148 P HA 0.358 nan 4.420 nan 0.000 0.282 148 P C -0.483 176.792 177.300 -0.042 0.000 1.259 148 P CA -0.992 62.082 63.100 -0.042 0.000 0.826 148 P CB 0.838 32.516 31.700 -0.037 0.000 1.064 149 R N 1.206 121.685 120.500 -0.034 0.000 2.340 149 R HA 0.530 4.871 4.340 0.001 0.000 0.300 149 R C -0.207 176.073 176.300 -0.033 0.000 1.069 149 R CA -0.494 55.587 56.100 -0.031 0.000 0.984 149 R CB 0.197 30.482 30.300 -0.024 0.000 1.003 149 R HN 0.573 nan 8.270 nan 0.000 0.459 150 A N 5.482 128.279 122.820 -0.038 0.000 2.450 150 A HA 0.190 4.510 4.320 0.001 0.000 0.255 150 A C 0.045 177.615 177.584 -0.023 0.000 1.096 150 A CA -0.407 51.603 52.037 -0.046 0.000 0.778 150 A CB 0.182 19.152 19.000 -0.051 0.000 1.031 150 A HN 0.778 nan 8.150 nan 0.000 0.494 151 L N 2.609 123.829 121.223 -0.006 0.000 2.490 151 L HA 0.061 4.402 4.340 0.001 0.000 0.274 151 L C 0.623 177.497 176.870 0.007 0.000 1.201 151 L CA -0.222 54.625 54.840 0.011 0.000 0.869 151 L CB 0.287 42.374 42.059 0.047 0.000 1.123 151 L HN 0.636 nan 8.230 nan 0.000 0.484 152 E N 2.204 122.403 120.200 -0.003 0.000 2.413 152 E HA -0.065 4.286 4.350 0.001 0.000 0.263 152 E C 0.827 177.424 176.600 -0.006 0.000 1.015 152 E CA -0.218 56.182 56.400 0.000 0.000 0.916 152 E CB 0.802 30.501 29.700 -0.002 0.000 0.947 152 E HN 0.401 nan 8.360 nan 0.000 0.440 153 L N 3.744 124.976 121.223 0.014 0.000 2.051 153 L HA -0.261 4.080 4.340 0.001 0.000 0.214 153 L C 1.281 178.146 176.870 -0.008 0.000 1.076 153 L CA 2.607 57.459 54.840 0.020 0.000 0.758 153 L CB -0.823 41.282 42.059 0.075 0.000 0.890 153 L HN 0.616 nan 8.230 nan 0.000 0.433 154 D N -2.497 117.904 120.400 0.002 0.000 2.363 154 D HA -0.112 4.528 4.640 0.001 0.000 0.226 154 D C 1.368 177.657 176.300 -0.018 0.000 1.020 154 D CA 0.568 54.568 54.000 0.001 0.000 0.892 154 D CB -0.250 40.556 40.800 0.009 0.000 0.900 154 D HN 0.533 nan 8.370 nan 0.000 0.531 155 E N 0.104 120.282 120.200 -0.036 0.000 2.474 155 E HA 0.043 4.393 4.350 0.001 0.000 0.194 155 E C 1.553 178.106 176.600 -0.078 0.000 1.041 155 E CA -0.132 56.242 56.400 -0.044 0.000 0.874 155 E CB 0.291 29.968 29.700 -0.037 0.000 0.914 155 E HN 0.365 nan 8.360 nan 0.000 0.498 156 I N 1.441 121.934 120.570 -0.128 0.000 2.202 156 I HA -0.121 4.049 4.170 0.001 0.000 0.242 156 I C -0.658 175.382 176.117 -0.128 0.000 1.091 156 I CA 1.123 62.289 61.300 -0.223 0.000 1.368 156 I CB -2.045 35.675 38.000 -0.466 0.000 1.058 156 I HN -0.008 nan 8.210 nan 0.000 0.410 157 P HA -0.142 nan 4.420 nan 0.000 0.216 157 P C 1.734 179.030 177.300 -0.008 0.000 1.150 157 P CA 1.795 64.886 63.100 -0.015 0.000 0.843 157 P CB -0.262 31.441 31.700 0.004 0.000 0.787 158 G N -0.213 108.576 108.800 -0.018 0.000 2.418 158 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 158 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 158 G C 1.377 176.275 174.900 -0.005 0.000 1.158 158 G CA 0.556 45.649 45.100 -0.011 0.000 0.771 158 G HN 0.137 nan 8.290 nan 0.000 0.545 159 I N 0.966 121.524 120.570 -0.021 0.000 2.179 159 I HA -0.104 4.066 4.170 0.001 0.000 0.242 159 I C 3.016 179.211 176.117 0.130 0.000 1.088 159 I CA 0.581 61.888 61.300 0.011 0.000 1.357 159 I CB -1.366 36.604 38.000 -0.050 0.000 1.051 159 I HN 0.035 nan 8.210 nan 0.000 0.409 160 V N 1.556 121.527 119.914 0.095 0.000 2.287 160 V HA -0.314 3.807 4.120 0.001 0.000 0.248 160 V C 2.365 178.547 176.094 0.147 0.000 1.053 160 V CA 2.325 64.708 62.300 0.139 0.000 1.027 160 V CB -1.102 30.753 31.823 0.054 0.000 0.646 160 V HN 0.437 nan 8.190 nan 0.000 0.447 161 N N 0.302 119.051 118.700 0.081 0.000 2.149 161 N HA -0.191 4.549 4.740 0.001 0.000 0.188 161 N C 1.440 176.987 175.510 0.062 0.000 1.019 161 N CA 1.665 54.753 53.050 0.063 0.000 0.857 161 N CB -0.226 38.281 38.487 0.034 0.000 0.997 161 N HN 0.470 nan 8.380 nan 0.000 0.426 162 D N -0.565 119.858 120.400 0.039 0.000 2.117 162 D HA -0.127 4.513 4.640 0.001 0.000 0.197 162 D C 1.586 177.862 176.300 -0.040 0.000 0.987 162 D CA 0.885 54.867 54.000 -0.030 0.000 0.829 162 D CB -0.473 40.268 40.800 -0.099 0.000 0.961 162 D HN 0.305 nan 8.370 nan 0.000 0.460 163 F N 1.071 121.046 119.950 0.041 0.000 2.126 163 F HA -0.106 4.422 4.527 0.001 0.000 0.299 163 F C 2.535 178.356 175.800 0.035 0.000 1.096 163 F CA 1.031 59.056 58.000 0.043 0.000 1.255 163 F CB -0.293 38.727 39.000 0.034 0.000 0.997 163 F HN -0.128 nan 8.300 nan 0.000 0.479 164 R N 0.252 120.875 120.500 0.205 0.000 2.070 164 R HA -0.247 4.093 4.340 0.001 0.000 0.233 164 R C 2.289 178.637 176.300 0.081 0.000 1.137 164 R CA 1.910 58.086 56.100 0.127 0.000 0.945 164 R CB -0.483 29.872 30.300 0.091 0.000 0.845 164 R HN 0.187 nan 8.270 nan 0.000 0.430 165 Q N 0.406 120.241 119.800 0.057 0.000 2.084 165 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 165 Q C 1.844 177.861 176.000 0.028 0.000 0.978 165 Q CA 2.268 58.090 55.803 0.031 0.000 0.844 165 Q CB -0.385 28.369 28.738 0.026 0.000 0.898 165 Q HN 0.481 nan 8.270 nan 0.000 0.426 166 A N -0.790 122.052 122.820 0.036 0.000 1.972 166 A HA -0.114 4.207 4.320 0.001 0.000 0.219 166 A C 2.253 179.854 177.584 0.028 0.000 1.169 166 A CA 1.551 53.605 52.037 0.028 0.000 0.635 166 A CB -0.656 18.345 19.000 0.002 0.000 0.810 166 A HN 0.272 nan 8.150 nan 0.000 0.446 167 V N -0.327 119.627 119.914 0.065 0.000 2.323 167 V HA -0.201 3.919 4.120 0.001 0.000 0.244 167 V C 3.060 179.135 176.094 -0.031 0.000 1.041 167 V CA 1.757 64.110 62.300 0.089 0.000 1.025 167 V CB -1.151 30.776 31.823 0.174 0.000 0.656 167 V HN 0.608 nan 8.190 nan 0.000 0.451 168 A N 0.746 123.525 122.820 -0.067 0.000 1.917 168 A HA -0.270 4.050 4.320 0.001 0.000 0.219 168 A C 2.017 179.505 177.584 -0.161 0.000 1.182 168 A CA 2.278 54.214 52.037 -0.169 0.000 0.633 168 A CB -0.736 18.206 19.000 -0.096 0.000 0.819 168 A HN 0.615 nan 8.150 nan 0.000 0.448 169 N N 0.486 119.148 118.700 -0.064 0.000 2.166 169 N HA -0.084 4.656 4.740 0.001 0.000 0.186 169 N C 1.837 177.348 175.510 0.002 0.000 1.019 169 N CA 1.502 54.540 53.050 -0.021 0.000 0.856 169 N CB -0.674 37.830 38.487 0.027 0.000 0.993 169 N HN 0.496 nan 8.380 nan 0.000 0.426 170 A N 1.621 124.441 122.820 0.000 0.000 1.883 170 A HA -0.183 4.138 4.320 0.001 0.000 0.217 170 A C 2.268 179.914 177.584 0.103 0.000 1.186 170 A CA 1.682 53.801 52.037 0.137 0.000 0.624 170 A CB -0.594 18.470 19.000 0.105 0.000 0.822 170 A HN 0.332 nan 8.150 nan 0.000 0.444 171 R N -0.080 120.227 120.500 -0.322 0.000 2.092 171 R HA -0.169 4.171 4.340 0.001 0.000 0.231 171 R C 2.127 178.269 176.300 -0.263 0.000 1.119 171 R CA 1.794 57.503 56.100 -0.651 0.000 0.970 171 R CB -0.358 28.915 30.300 -1.712 0.000 0.864 171 R HN 0.706 nan 8.270 nan 0.000 0.440 172 E N 0.212 120.298 120.200 -0.191 0.000 2.058 172 E HA -0.193 4.158 4.350 0.001 0.000 0.194 172 E C 1.638 178.219 176.600 -0.031 0.000 0.997 172 E CA 1.427 57.772 56.400 -0.092 0.000 0.801 172 E CB -0.188 29.476 29.700 -0.061 0.000 0.746 172 E HN 0.497 nan 8.360 nan 0.000 0.450 173 A N -0.432 122.396 122.820 0.014 0.000 2.216 173 A HA 0.130 4.450 4.320 0.001 0.000 0.214 173 A C 1.840 179.359 177.584 -0.108 0.000 1.160 173 A CA 1.367 53.409 52.037 0.008 0.000 0.725 173 A CB -0.453 18.613 19.000 0.111 0.000 0.784 173 A HN 0.594 nan 8.150 nan 0.000 0.472 174 G N -2.283 106.487 108.800 -0.050 0.000 2.238 174 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 174 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 174 G C 0.124 175.060 174.900 0.061 0.000 0.996 174 G CA -0.146 44.944 45.100 -0.017 0.000 0.632 174 G HN 0.332 nan 8.290 nan 0.000 0.503 175 F N 2.310 122.337 119.950 0.129 0.000 2.628 175 F HA 0.220 4.749 4.527 0.004 0.000 0.362 175 F C 1.611 177.550 175.800 0.231 0.000 1.148 175 F CA 0.961 59.028 58.000 0.111 0.000 1.352 175 F CB 0.489 39.493 39.000 0.007 0.000 1.081 175 F HN 0.016 nan 8.300 nan 0.000 0.605 176 D N 1.761 122.356 120.400 0.324 0.000 2.249 176 D HA 0.099 4.739 4.640 0.001 0.000 0.205 176 D C 0.446 176.740 176.300 -0.011 0.000 0.962 176 D CA 1.117 55.218 54.000 0.169 0.000 0.860 176 D CB 0.387 41.254 40.800 0.113 0.000 0.955 176 D HN 0.236 nan 8.370 nan 0.000 0.505 177 L N -0.512 120.723 121.223 0.019 0.000 2.491 177 L HA 0.468 4.809 4.340 0.001 0.000 0.254 177 L C -1.027 175.807 176.870 -0.060 0.000 1.048 177 L CA -0.978 53.788 54.840 -0.123 0.000 0.855 177 L CB 2.927 44.954 42.059 -0.053 0.000 1.466 177 L HN -0.396 nan 8.230 nan 0.000 0.409 178 V N 0.525 120.371 119.914 -0.113 0.000 2.588 178 V HA 0.341 4.461 4.120 0.001 0.000 0.304 178 V C -0.761 175.249 176.094 -0.140 0.000 1.042 178 V CA -0.483 61.759 62.300 -0.098 0.000 0.877 178 V CB 2.043 33.871 31.823 0.009 0.000 0.996 178 V HN 0.739 nan 8.190 nan 0.000 0.425 179 E N 4.634 124.761 120.200 -0.121 0.000 2.113 179 E HA 0.488 4.838 4.350 0.001 0.000 0.273 179 E C -1.112 175.445 176.600 -0.072 0.000 0.924 179 E CA -0.616 55.722 56.400 -0.103 0.000 0.764 179 E CB 1.184 30.892 29.700 0.013 0.000 1.104 179 E HN 0.613 nan 8.360 nan 0.000 0.406 180 L N 4.467 125.642 121.223 -0.080 0.000 2.361 180 L HA 0.113 4.454 4.340 0.001 0.000 0.278 180 L C 0.387 177.287 176.870 0.051 0.000 1.113 180 L CA -0.390 54.444 54.840 -0.010 0.000 0.849 180 L CB 0.286 42.274 42.059 -0.119 0.000 1.155 180 L HN 0.536 nan 8.230 nan 0.000 0.452 181 H N 2.960 122.073 119.070 0.073 0.000 3.109 181 H HA 0.077 4.634 4.556 0.001 0.000 0.266 181 H C 0.336 175.731 175.328 0.112 0.000 1.334 181 H CA -0.014 56.080 56.048 0.075 0.000 1.456 181 H CB 0.874 30.735 29.762 0.167 0.000 1.587 181 H HN 0.528 nan 8.280 nan 0.000 0.500 182 S N 3.003 118.843 115.700 0.233 0.000 2.588 182 S HA 0.581 5.051 4.470 0.001 0.000 0.245 182 S C 0.010 174.607 174.600 -0.005 0.000 1.021 182 S CA 0.050 58.315 58.200 0.108 0.000 1.006 182 S CB -0.465 62.735 63.200 -0.000 0.000 0.830 182 S HN 0.739 nan 8.310 nan 0.000 0.468 183 A N -0.038 122.812 122.820 0.050 0.000 2.443 183 A HA 0.741 5.061 4.320 0.001 0.000 0.278 183 A C 0.029 177.583 177.584 -0.049 0.000 1.252 183 A CA -0.501 51.340 52.037 -0.328 0.000 0.816 183 A CB 0.161 18.806 19.000 -0.592 0.000 1.369 183 A HN 0.690 nan 8.150 nan 0.000 0.446 184 H N -1.103 117.910 119.070 -0.095 0.000 2.921 184 H HA -0.210 4.346 4.556 0.001 0.000 0.281 184 H C 1.223 176.520 175.328 -0.051 0.000 1.165 184 H CA 1.119 57.234 56.048 0.111 0.000 1.151 184 H CB -1.456 28.527 29.762 0.369 0.000 1.311 184 H HN 2.265 nan 8.280 nan 0.000 0.361 185 G N -1.498 107.573 108.800 0.453 0.000 2.153 185 G HA2 -0.372 3.588 3.960 0.001 0.000 0.252 185 G HA3 -0.372 3.588 3.960 0.001 0.000 0.252 185 G C 0.044 174.841 174.900 -0.172 0.000 0.994 185 G CA 0.695 45.855 45.100 0.100 0.000 0.698 185 G HN 0.552 nan 8.290 nan 0.000 0.521 186 Y N -1.461 118.961 120.300 0.204 0.000 2.314 186 Y HA 0.564 5.115 4.550 0.001 0.000 0.359 186 Y C 1.849 177.846 175.900 0.162 0.000 1.360 186 Y CA -0.439 57.728 58.100 0.113 0.000 1.697 186 Y CB -0.295 38.166 38.460 0.002 0.000 1.630 186 Y HN 0.019 nan 8.280 nan 0.000 0.583 187 L N 0.251 121.687 121.223 0.355 0.000 2.013 187 L HA -0.217 4.124 4.340 0.001 0.000 0.212 187 L C 1.849 178.933 176.870 0.357 0.000 1.073 187 L CA 1.734 56.757 54.840 0.304 0.000 0.753 187 L CB -0.864 41.334 42.059 0.232 0.000 0.890 187 L HN 0.668 nan 8.230 nan 0.000 0.432 188 L N -1.636 119.775 121.223 0.313 0.000 2.093 188 L HA -0.258 4.083 4.340 0.001 0.000 0.208 188 L C 2.590 179.652 176.870 0.319 0.000 1.085 188 L CA 1.641 56.626 54.840 0.241 0.000 0.755 188 L CB -0.747 41.385 42.059 0.122 0.000 0.904 188 L HN 0.491 nan 8.230 nan 0.000 0.435 189 H N -0.265 118.909 119.070 0.175 0.000 2.428 189 H HA -0.127 4.429 4.556 0.001 0.000 0.296 189 H C 2.240 177.646 175.328 0.129 0.000 1.062 189 H CA 0.929 57.055 56.048 0.130 0.000 1.350 189 H CB 0.411 30.227 29.762 0.090 0.000 1.403 189 H HN 0.395 nan 8.280 nan 0.000 0.533 190 Q N -0.275 119.604 119.800 0.132 0.000 2.135 190 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 190 Q C 1.836 177.803 176.000 -0.055 0.000 0.981 190 Q CA 1.696 57.489 55.803 -0.018 0.000 0.856 190 Q CB -0.031 28.711 28.738 0.007 0.000 0.902 190 Q HN 0.433 nan 8.270 nan 0.000 0.425 191 F N -0.059 119.910 119.950 0.031 0.000 2.206 191 F HA -0.113 4.414 4.527 0.001 0.000 0.298 191 F C 1.844 177.680 175.800 0.060 0.000 1.090 191 F CA 0.861 58.891 58.000 0.051 0.000 1.323 191 F CB -0.057 38.989 39.000 0.077 0.000 1.028 191 F HN 0.018 nan 8.300 nan 0.000 0.492 192 L N -1.286 120.090 121.223 0.255 0.000 2.201 192 L HA -0.092 4.248 4.340 0.001 0.000 0.212 192 L C 1.174 178.109 176.870 0.109 0.000 1.105 192 L CA 0.507 55.473 54.840 0.210 0.000 0.775 192 L CB -0.365 41.866 42.059 0.287 0.000 0.913 192 L HN -0.047 nan 8.230 nan 0.000 0.440 193 S N -0.717 114.983 115.700 0.001 0.000 2.475 193 S HA 0.226 4.696 4.470 0.001 0.000 0.281 193 S C -1.521 173.048 174.600 -0.052 0.000 1.198 193 S CA -1.689 56.476 58.200 -0.058 0.000 1.063 193 S CB 1.168 64.247 63.200 -0.201 0.000 0.972 193 S HN -0.129 nan 8.310 nan 0.000 0.486 194 P HA -0.162 nan 4.420 nan 0.000 0.216 194 P C 1.777 179.045 177.300 -0.052 0.000 1.153 194 P CA 1.388 64.468 63.100 -0.034 0.000 0.858 194 P CB -0.136 31.552 31.700 -0.020 0.000 0.789 195 S N -0.259 115.408 115.700 -0.055 0.000 2.387 195 S HA -0.174 4.297 4.470 0.001 0.000 0.230 195 S C 1.870 176.422 174.600 -0.079 0.000 1.035 195 S CA 2.298 60.462 58.200 -0.060 0.000 1.014 195 S CB -1.162 62.005 63.200 -0.055 0.000 0.836 195 S HN 0.311 nan 8.310 nan 0.000 0.466 196 S N -0.222 115.414 115.700 -0.107 0.000 2.512 196 S HA 0.308 4.779 4.470 0.001 0.000 0.216 196 S C 0.350 174.854 174.600 -0.160 0.000 1.006 196 S CA -0.417 57.707 58.200 -0.126 0.000 0.915 196 S CB -0.318 62.797 63.200 -0.141 0.000 0.824 196 S HN 0.492 nan 8.310 nan 0.000 0.497 197 N N 2.298 120.907 118.700 -0.151 0.000 2.501 197 N HA 0.300 5.040 4.740 0.001 0.000 0.245 197 N C -0.674 174.769 175.510 -0.111 0.000 0.974 197 N CA -0.136 52.805 53.050 -0.181 0.000 0.941 197 N CB 1.115 39.498 38.487 -0.173 0.000 1.122 197 N HN 0.333 nan 8.380 nan 0.000 0.507 198 Q N 1.949 121.684 119.800 -0.108 0.000 2.182 198 Q HA 0.275 4.616 4.340 0.001 0.000 0.270 198 Q C -0.214 175.754 176.000 -0.054 0.000 0.861 198 Q CA -0.325 55.437 55.803 -0.068 0.000 1.098 198 Q CB 0.875 29.577 28.738 -0.060 0.000 1.188 198 Q HN 0.347 nan 8.270 nan 0.000 0.464 199 R N 0.365 120.832 120.500 -0.055 0.000 2.679 199 R HA 0.143 4.483 4.340 0.001 0.000 0.269 199 R C 1.088 177.393 176.300 0.008 0.000 1.076 199 R CA 0.666 56.757 56.100 -0.016 0.000 1.160 199 R CB 0.460 30.771 30.300 0.018 0.000 1.054 199 R HN 0.138 nan 8.270 nan 0.000 0.507 200 T N -3.768 110.798 114.554 0.021 0.000 3.040 200 T HA 0.026 4.376 4.350 0.001 0.000 0.266 200 T C 0.241 174.961 174.700 0.034 0.000 1.005 200 T CA -0.439 61.672 62.100 0.018 0.000 0.906 200 T CB -0.128 68.744 68.868 0.007 0.000 1.082 200 T HN 0.656 nan 8.240 nan 0.000 0.531 201 D N 1.859 122.298 120.400 0.064 0.000 2.398 201 D HA 0.001 4.642 4.640 0.001 0.000 0.264 201 D C 1.615 177.961 176.300 0.078 0.000 1.263 201 D CA -0.539 53.514 54.000 0.087 0.000 1.037 201 D CB 0.419 41.304 40.800 0.141 0.000 1.101 201 D HN 0.155 nan 8.370 nan 0.000 0.551 202 Q N -0.972 118.861 119.800 0.054 0.000 2.541 202 Q HA -0.151 4.189 4.340 0.001 0.000 0.215 202 Q C 0.595 176.486 176.000 -0.181 0.000 0.977 202 Q CA 1.071 56.822 55.803 -0.087 0.000 0.934 202 Q CB -0.589 28.045 28.738 -0.174 0.000 0.988 202 Q HN 0.652 nan 8.270 nan 0.000 0.521 203 Y N 0.532 120.890 120.300 0.096 0.000 2.457 203 Y HA 0.435 4.985 4.550 0.001 0.000 0.263 203 Y C 1.200 177.194 175.900 0.157 0.000 1.164 203 Y CA 0.121 58.325 58.100 0.174 0.000 1.274 203 Y CB 0.942 39.582 38.460 0.300 0.000 1.097 203 Y HN 0.172 nan 8.280 nan 0.000 0.523 204 G N -1.634 107.259 108.800 0.155 0.000 2.605 204 G HA2 0.546 4.506 3.960 0.001 0.000 0.296 204 G HA3 0.546 4.506 3.960 0.001 0.000 0.296 204 G C 0.188 175.104 174.900 0.027 0.000 1.304 204 G CA -0.179 44.965 45.100 0.075 0.000 0.941 204 G HN 0.359 nan 8.290 nan 0.000 0.475 205 G N 0.046 108.850 108.800 0.005 0.000 2.848 205 G HA2 0.042 4.002 3.960 0.001 0.000 0.246 205 G HA3 0.042 4.002 3.960 0.001 0.000 0.246 205 G C 1.028 175.913 174.900 -0.024 0.000 1.374 205 G CA 0.744 45.837 45.100 -0.012 0.000 0.982 205 G HN 2.310 nan 8.290 nan 0.000 0.563 206 S N 0.256 115.931 115.700 -0.041 0.000 2.563 206 S HA 0.331 4.802 4.470 0.001 0.000 0.269 206 S C 1.608 176.156 174.600 -0.086 0.000 1.364 206 S CA 0.832 58.988 58.200 -0.073 0.000 1.010 206 S CB 1.508 64.653 63.200 -0.093 0.000 0.877 206 S HN 2.090 nan 8.310 nan 0.000 0.549 207 V N 1.623 121.447 119.914 -0.149 0.000 2.343 207 V HA -0.153 3.967 4.120 0.001 0.000 0.247 207 V C 2.365 178.327 176.094 -0.219 0.000 1.051 207 V CA 2.623 64.817 62.300 -0.177 0.000 1.036 207 V CB -1.253 30.409 31.823 -0.269 0.000 0.654 207 V HN 0.968 nan 8.190 nan 0.000 0.451 208 E N 0.674 120.654 120.200 -0.366 0.000 2.118 208 E HA -0.214 4.137 4.350 0.001 0.000 0.195 208 E C 2.019 178.606 176.600 -0.022 0.000 0.992 208 E CA 1.818 58.112 56.400 -0.176 0.000 0.804 208 E CB -0.393 29.217 29.700 -0.151 0.000 0.741 208 E HN 0.598 nan 8.360 nan 0.000 0.458 209 N N 0.129 118.800 118.700 -0.047 0.000 2.270 209 N HA -0.052 4.689 4.740 0.001 0.000 0.181 209 N C 1.457 177.007 175.510 0.067 0.000 1.016 209 N CA 0.803 53.837 53.050 -0.026 0.000 0.870 209 N CB 0.005 38.476 38.487 -0.027 0.000 0.979 209 N HN 0.118 nan 8.380 nan 0.000 0.431 210 R N 0.099 120.652 120.500 0.089 0.000 2.119 210 R HA 0.160 4.501 4.340 0.001 0.000 0.222 210 R C 1.686 178.118 176.300 0.220 0.000 1.088 210 R CA 1.020 57.223 56.100 0.172 0.000 0.984 210 R CB -0.090 30.278 30.300 0.113 0.000 0.884 210 R HN 0.122 nan 8.270 nan 0.000 0.447 211 A N 0.950 123.881 122.820 0.185 0.000 2.208 211 A HA -0.032 4.289 4.320 0.001 0.000 0.209 211 A C 1.956 179.624 177.584 0.140 0.000 1.161 211 A CA 0.222 52.377 52.037 0.197 0.000 0.782 211 A CB -0.308 18.877 19.000 0.308 0.000 0.816 211 A HN 0.166 nan 8.150 nan 0.000 0.477 212 R N -0.528 120.039 120.500 0.111 0.000 2.083 212 R HA -0.183 4.157 4.340 0.001 0.000 0.237 212 R C 1.995 178.356 176.300 0.100 0.000 1.137 212 R CA 1.942 58.066 56.100 0.040 0.000 0.951 212 R CB -0.395 29.798 30.300 -0.178 0.000 0.851 212 R HN 0.460 nan 8.270 nan 0.000 0.434 213 L N 0.416 121.734 121.223 0.158 0.000 2.017 213 L HA -0.123 4.218 4.340 0.001 0.000 0.208 213 L C 2.218 179.036 176.870 -0.086 0.000 1.073 213 L CA 1.611 56.448 54.840 -0.005 0.000 0.745 213 L CB -0.781 41.014 42.059 -0.440 0.000 0.894 213 L HN 0.091 nan 8.230 nan 0.000 0.432 214 V N -0.528 119.348 119.914 -0.064 0.000 2.343 214 V HA -0.271 3.849 4.120 0.001 0.000 0.247 214 V C 2.508 178.547 176.094 -0.092 0.000 1.051 214 V CA 2.156 64.395 62.300 -0.102 0.000 1.036 214 V CB -0.217 31.579 31.823 -0.045 0.000 0.654 214 V HN 0.523 nan 8.190 nan 0.000 0.451 215 L N -0.456 120.746 121.223 -0.035 0.000 2.156 215 L HA -0.125 4.216 4.340 0.001 0.000 0.208 215 L C 2.506 179.357 176.870 -0.033 0.000 1.095 215 L CA 1.645 56.464 54.840 -0.035 0.000 0.770 215 L CB -0.479 41.573 42.059 -0.012 0.000 0.914 215 L HN 0.382 nan 8.230 nan 0.000 0.439 216 E N -0.587 119.603 120.200 -0.017 0.000 2.152 216 E HA -0.155 4.195 4.350 0.001 0.000 0.192 216 E C 2.262 178.841 176.600 -0.035 0.000 0.983 216 E CA 0.925 57.322 56.400 -0.005 0.000 0.818 216 E CB 0.078 29.802 29.700 0.039 0.000 0.758 216 E HN 0.260 nan 8.360 nan 0.000 0.467 217 V N 0.653 120.508 119.914 -0.099 0.000 2.358 217 V HA -0.206 3.914 4.120 0.001 0.000 0.246 217 V C 2.244 178.263 176.094 -0.124 0.000 1.047 217 V CA 1.155 63.357 62.300 -0.163 0.000 1.035 217 V CB -0.204 31.354 31.823 -0.441 0.000 0.658 217 V HN 0.139 nan 8.190 nan 0.000 0.452 218 V N 0.204 120.048 119.914 -0.117 0.000 2.358 218 V HA -0.219 3.902 4.120 0.001 0.000 0.246 218 V C 2.252 178.320 176.094 -0.044 0.000 1.047 218 V CA 2.114 64.361 62.300 -0.088 0.000 1.035 218 V CB -0.591 31.182 31.823 -0.083 0.000 0.658 218 V HN 0.567 nan 8.190 nan 0.000 0.452 219 D N 0.392 120.774 120.400 -0.030 0.000 2.144 219 D HA -0.084 4.557 4.640 0.001 0.000 0.200 219 D C 2.229 178.534 176.300 0.009 0.000 0.978 219 D CA 1.516 55.511 54.000 -0.009 0.000 0.833 219 D CB -0.319 40.478 40.800 -0.004 0.000 0.961 219 D HN 0.430 nan 8.370 nan 0.000 0.470 220 A N 0.893 123.721 122.820 0.012 0.000 1.902 220 A HA -0.148 4.173 4.320 0.001 0.000 0.217 220 A C 2.432 180.048 177.584 0.053 0.000 1.181 220 A CA 2.132 54.190 52.037 0.035 0.000 0.623 220 A CB -0.738 18.289 19.000 0.045 0.000 0.818 220 A HN 0.252 nan 8.150 nan 0.000 0.443 221 V N -3.616 116.327 119.914 0.049 0.000 2.951 221 V HA -0.118 4.002 4.120 0.001 0.000 0.255 221 V C 2.152 178.299 176.094 0.087 0.000 1.088 221 V CA 1.437 63.787 62.300 0.084 0.000 1.109 221 V CB -1.378 30.494 31.823 0.082 0.000 0.724 221 V HN 0.517 nan 8.190 nan 0.000 0.471 222 C N 1.183 120.508 119.300 0.042 0.000 2.440 222 C HA -0.098 4.363 4.460 0.001 0.000 0.278 222 C C 2.753 177.779 174.990 0.060 0.000 1.295 222 C CA 1.665 60.705 59.018 0.035 0.000 1.738 222 C CB -1.719 26.022 27.740 0.001 0.000 1.987 222 C HN 0.796 nan 8.230 nan 0.000 0.492 223 N N 0.992 119.725 118.700 0.055 0.000 2.120 223 N HA -0.185 4.555 4.740 0.001 0.000 0.188 223 N C 1.777 177.337 175.510 0.083 0.000 1.024 223 N CA 1.653 54.737 53.050 0.058 0.000 0.852 223 N CB -0.197 38.316 38.487 0.043 0.000 1.003 223 N HN 0.511 nan 8.380 nan 0.000 0.424 224 E N -0.564 119.694 120.200 0.098 0.000 2.106 224 E HA -0.131 4.220 4.350 0.001 0.000 0.192 224 E C 1.059 177.753 176.600 0.157 0.000 0.984 224 E CA 1.210 57.669 56.400 0.099 0.000 0.806 224 E CB -0.124 29.632 29.700 0.094 0.000 0.750 224 E HN 0.464 nan 8.360 nan 0.000 0.458 225 W N -0.913 120.389 121.300 0.003 0.000 4.480 225 W HA 0.545 5.205 4.660 0.001 0.000 0.244 225 W C -0.352 176.165 176.519 -0.005 0.000 3.451 225 W CA 0.494 57.839 57.345 0.001 0.000 1.187 225 W CB 0.232 29.692 29.460 0.000 0.000 2.108 225 W HN -0.118 nan 8.180 nan 0.000 0.356 226 S N -0.805 114.993 115.700 0.163 0.000 2.543 226 S HA 0.505 4.975 4.470 0.001 0.000 0.274 226 S C 0.321 174.859 174.600 -0.104 0.000 1.149 226 S CA 0.093 58.280 58.200 -0.022 0.000 0.866 226 S CB 1.040 64.178 63.200 -0.104 0.000 1.111 226 S HN 0.602 nan 8.310 nan 0.000 0.457 227 A N 2.290 125.066 122.820 -0.073 0.000 1.986 227 A HA -0.084 4.236 4.320 0.001 0.000 0.220 227 A C 1.407 178.911 177.584 -0.133 0.000 1.171 227 A CA 2.166 54.151 52.037 -0.088 0.000 0.640 227 A CB -0.759 18.205 19.000 -0.059 0.000 0.811 227 A HN 0.849 nan 8.150 nan 0.000 0.451 228 D N -0.800 119.510 120.400 -0.150 0.000 2.350 228 D HA -0.062 4.578 4.640 0.001 0.000 0.216 228 D C 1.553 177.696 176.300 -0.261 0.000 0.968 228 D CA 0.583 54.483 54.000 -0.165 0.000 0.894 228 D CB -0.071 40.642 40.800 -0.146 0.000 0.909 228 D HN 0.342 nan 8.370 nan 0.000 0.520 229 R N -0.095 120.168 120.500 -0.395 0.000 2.397 229 R HA 0.188 4.528 4.340 0.001 0.000 0.241 229 R C 0.221 176.288 176.300 -0.388 0.000 0.914 229 R CA -0.153 55.599 56.100 -0.579 0.000 1.071 229 R CB 1.355 30.879 30.300 -1.292 0.000 1.116 229 R HN 0.094 nan 8.270 nan 0.000 0.524 230 I N 0.725 121.124 120.570 -0.286 0.000 2.378 230 I HA 0.387 4.557 4.170 0.001 0.000 0.291 230 I C 0.662 176.529 176.117 -0.417 0.000 0.992 230 I CA -0.611 60.531 61.300 -0.264 0.000 1.154 230 I CB 1.344 39.244 38.000 -0.167 0.000 1.315 230 I HN -0.048 nan 8.210 nan 0.000 0.448 231 G N 6.037 114.449 108.800 -0.646 0.000 2.568 231 G HA2 0.810 4.770 3.960 0.001 0.000 0.313 231 G HA3 0.810 4.770 3.960 0.001 0.000 0.313 231 G C -1.353 173.198 174.900 -0.582 0.000 1.227 231 G CA -0.563 43.812 45.100 -1.208 0.000 0.979 231 G HN 0.528 nan 8.290 nan 0.000 0.486 232 I N -0.422 119.903 120.570 -0.408 0.000 2.656 232 I HA 0.560 4.730 4.170 0.001 0.000 0.292 232 I C -0.806 175.257 176.117 -0.090 0.000 1.144 232 I CA -1.078 60.108 61.300 -0.191 0.000 1.038 232 I CB 2.175 40.071 38.000 -0.173 0.000 1.244 232 I HN 0.498 nan 8.210 nan 0.000 0.420 233 R N 7.008 127.442 120.500 -0.109 0.000 2.255 233 R HA 0.659 4.999 4.340 0.001 0.000 0.326 233 R C -1.337 174.831 176.300 -0.219 0.000 0.986 233 R CA -0.512 55.465 56.100 -0.204 0.000 0.847 233 R CB 1.346 31.405 30.300 -0.401 0.000 1.111 233 R HN 0.501 nan 8.270 nan 0.000 0.452 234 V N 1.291 121.071 119.914 -0.223 0.000 2.815 234 V HA 0.667 4.788 4.120 0.001 0.000 0.314 234 V C -0.312 175.596 176.094 -0.311 0.000 1.064 234 V CA -0.687 61.471 62.300 -0.236 0.000 0.952 234 V CB 2.070 33.813 31.823 -0.134 0.000 1.020 234 V HN 0.818 nan 8.190 nan 0.000 0.439 235 S N 1.657 117.081 115.700 -0.460 0.000 2.060 235 S HA 0.506 4.976 4.470 0.001 0.000 0.156 235 S C -2.092 172.381 174.600 -0.211 0.000 1.690 235 S CA -0.930 56.933 58.200 -0.563 0.000 1.238 235 S CB 0.984 63.306 63.200 -1.463 0.000 1.150 235 S HN 0.765 nan 8.310 nan 0.000 0.437 236 P HA 0.282 nan 4.420 nan 0.000 0.245 236 P C -0.182 177.217 177.300 0.166 0.000 1.203 236 P CA 0.098 63.272 63.100 0.123 0.000 0.792 236 P CB 0.195 31.962 31.700 0.112 0.000 0.997 237 I N 0.350 121.066 120.570 0.243 0.000 2.355 237 I HA 0.546 4.717 4.170 0.001 0.000 0.288 237 I C 1.119 177.433 176.117 0.328 0.000 0.999 237 I CA -0.023 61.365 61.300 0.145 0.000 1.163 237 I CB 0.296 38.268 38.000 -0.047 0.000 1.316 237 I HN 0.165 nan 8.210 nan 0.000 0.454 238 G N 5.637 114.555 108.800 0.195 0.000 2.378 238 G HA2 -0.101 3.859 3.960 0.001 0.000 0.198 238 G HA3 -0.101 3.859 3.960 0.001 0.000 0.198 238 G C -0.674 174.255 174.900 0.047 0.000 1.223 238 G CA -0.809 44.330 45.100 0.066 0.000 1.088 238 G HN 0.512 nan 8.290 nan 0.000 0.530 239 T N 0.561 114.972 114.554 -0.239 0.000 2.841 239 T HA 0.686 5.037 4.350 0.001 0.000 0.283 239 T C -1.212 173.185 174.700 -0.505 0.000 1.000 239 T CA -0.078 61.922 62.100 -0.166 0.000 0.977 239 T CB 1.243 70.058 68.868 -0.089 0.000 0.979 239 T HN 0.593 nan 8.240 nan 0.000 0.446 240 F N 1.711 121.746 119.950 0.141 0.000 2.562 240 F HA 0.361 4.889 4.527 0.001 0.000 0.319 240 F C 0.785 176.639 175.800 0.090 0.000 1.154 240 F CA -0.965 57.118 58.000 0.139 0.000 0.931 240 F CB 1.723 40.874 39.000 0.251 0.000 1.198 240 F HN 0.547 nan 8.300 nan 0.000 0.444 241 Q N 2.787 122.690 119.800 0.171 0.000 2.416 241 Q HA -0.347 3.993 4.340 0.001 0.000 0.319 241 Q C -0.011 176.024 176.000 0.059 0.000 1.318 241 Q CA 0.733 56.594 55.803 0.098 0.000 0.915 241 Q CB -1.119 27.666 28.738 0.079 0.000 1.184 241 Q HN 0.841 nan 8.270 nan 0.000 0.444 242 N N -2.620 116.108 118.700 0.046 0.000 2.878 242 N HA -0.155 4.585 4.740 0.001 0.000 0.247 242 N C -0.997 174.520 175.510 0.011 0.000 1.021 242 N CA 1.220 54.280 53.050 0.018 0.000 0.873 242 N CB -0.903 37.586 38.487 0.004 0.000 1.128 242 N HN 0.261 nan 8.380 nan 0.000 0.571 243 V N 1.761 121.702 119.914 0.045 0.000 2.313 243 V HA 0.260 4.381 4.120 0.001 0.000 0.278 243 V C 0.475 176.616 176.094 0.079 0.000 1.017 243 V CA -0.932 61.362 62.300 -0.009 0.000 0.823 243 V CB 1.595 33.352 31.823 -0.110 0.000 1.010 243 V HN 0.216 nan 8.190 nan 0.000 0.443 244 D N 3.536 123.959 120.400 0.037 0.000 2.478 244 D HA 0.140 4.780 4.640 0.001 0.000 0.269 244 D C 0.334 176.692 176.300 0.096 0.000 1.232 244 D CA -0.748 53.303 54.000 0.086 0.000 1.059 244 D CB 0.750 41.572 40.800 0.037 0.000 1.104 244 D HN 0.246 nan 8.370 nan 0.000 0.566 245 N N -0.978 117.799 118.700 0.128 0.000 2.238 245 N HA 0.291 5.031 4.740 0.001 0.000 0.222 245 N C 0.587 176.137 175.510 0.066 0.000 1.133 245 N CA 0.510 53.642 53.050 0.137 0.000 0.854 245 N CB 0.608 39.212 38.487 0.195 0.000 1.041 245 N HN 0.754 nan 8.380 nan 0.000 0.510 246 G N 1.850 110.670 108.800 0.033 0.000 2.725 246 G HA2 -0.222 3.739 3.960 0.001 0.000 0.220 246 G HA3 -0.222 3.739 3.960 0.001 0.000 0.220 246 G C -2.080 172.824 174.900 0.005 0.000 1.357 246 G CA -0.574 44.533 45.100 0.012 0.000 0.866 246 G HN 0.100 nan 8.290 nan 0.000 0.548 247 P HA 0.161 nan 4.420 nan 0.000 0.235 247 P C 0.544 177.838 177.300 -0.011 0.000 1.177 247 P CA 0.829 63.924 63.100 -0.009 0.000 0.785 247 P CB 0.217 31.911 31.700 -0.011 0.000 0.885 248 N N 0.460 119.156 118.700 -0.007 0.000 2.735 248 N HA 0.023 4.763 4.740 0.001 0.000 0.312 248 N C 0.957 176.462 175.510 -0.007 0.000 1.843 248 N CA -0.009 53.035 53.050 -0.010 0.000 0.945 248 N CB 0.407 38.891 38.487 -0.004 0.000 1.299 248 N HN 0.395 nan 8.380 nan 0.000 0.489 249 E N 0.201 120.388 120.200 -0.020 0.000 2.153 249 E HA -0.248 4.103 4.350 0.001 0.000 0.194 249 E C 1.293 177.863 176.600 -0.050 0.000 0.988 249 E CA 1.109 57.500 56.400 -0.015 0.000 0.811 249 E CB 0.153 29.840 29.700 -0.021 0.000 0.746 249 E HN 0.462 nan 8.360 nan 0.000 0.466 250 E N 1.204 121.335 120.200 -0.115 0.000 2.015 250 E HA -0.151 4.199 4.350 0.001 0.000 0.191 250 E C 2.167 178.801 176.600 0.057 0.000 0.991 250 E CA 1.187 57.493 56.400 -0.156 0.000 0.802 250 E CB -0.217 29.344 29.700 -0.232 0.000 0.759 250 E HN 0.330 nan 8.360 nan 0.000 0.447 251 A N 0.950 123.801 122.820 0.051 0.000 1.972 251 A HA -0.197 4.123 4.320 0.001 0.000 0.219 251 A C 1.706 179.366 177.584 0.126 0.000 1.169 251 A CA 1.885 53.977 52.037 0.092 0.000 0.635 251 A CB -0.501 18.535 19.000 0.059 0.000 0.810 251 A HN 0.308 nan 8.150 nan 0.000 0.446 252 D N -0.195 120.266 120.400 0.103 0.000 2.269 252 D HA 0.086 4.726 4.640 0.001 0.000 0.208 252 D C 2.112 178.528 176.300 0.193 0.000 0.963 252 D CA 1.147 55.231 54.000 0.141 0.000 0.864 252 D CB -0.232 40.623 40.800 0.091 0.000 0.936 252 D HN 0.436 nan 8.370 nan 0.000 0.505 253 A N 0.492 123.410 122.820 0.164 0.000 1.872 253 A HA -0.065 4.256 4.320 0.001 0.000 0.214 253 A C 2.258 179.938 177.584 0.161 0.000 1.187 253 A CA 0.724 52.867 52.037 0.177 0.000 0.614 253 A CB -0.720 18.424 19.000 0.240 0.000 0.826 253 A HN 0.191 nan 8.150 nan 0.000 0.442 254 L N -1.812 119.523 121.223 0.186 0.000 2.131 254 L HA -0.192 4.148 4.340 0.001 0.000 0.210 254 L C 2.549 179.473 176.870 0.090 0.000 1.092 254 L CA 1.648 56.556 54.840 0.114 0.000 0.759 254 L CB -0.758 41.375 42.059 0.124 0.000 0.903 254 L HN 0.588 nan 8.230 nan 0.000 0.435 255 Y N 1.013 121.341 120.300 0.047 0.000 2.030 255 Y HA -0.345 4.205 4.550 0.001 0.000 0.274 255 Y C 2.433 178.350 175.900 0.029 0.000 1.153 255 Y CA 2.025 60.145 58.100 0.034 0.000 1.115 255 Y CB -0.512 37.968 38.460 0.033 0.000 0.969 255 Y HN 0.034 nan 8.280 nan 0.000 0.488 256 L N 0.332 121.492 121.223 -0.106 0.000 2.127 256 L HA -0.192 4.149 4.340 0.001 0.000 0.211 256 L C 2.196 178.961 176.870 -0.175 0.000 1.089 256 L CA 1.755 56.486 54.840 -0.181 0.000 0.757 256 L CB -0.707 41.366 42.059 0.023 0.000 0.899 256 L HN 0.444 nan 8.230 nan 0.000 0.434 257 I N -0.913 119.595 120.570 -0.103 0.000 2.353 257 I HA -0.242 3.928 4.170 0.001 0.000 0.248 257 I C 2.336 178.422 176.117 -0.051 0.000 1.119 257 I CA 1.086 62.338 61.300 -0.080 0.000 1.417 257 I CB -0.296 37.658 38.000 -0.077 0.000 1.078 257 I HN 0.310 nan 8.210 nan 0.000 0.421 258 E N 0.626 120.763 120.200 -0.105 0.000 2.058 258 E HA -0.230 4.121 4.350 0.001 0.000 0.194 258 E C 2.114 178.631 176.600 -0.138 0.000 0.997 258 E CA 1.106 57.442 56.400 -0.107 0.000 0.801 258 E CB 0.005 29.642 29.700 -0.105 0.000 0.746 258 E HN 0.360 nan 8.360 nan 0.000 0.450 259 E N 0.565 120.606 120.200 -0.265 0.000 2.118 259 E HA -0.174 4.176 4.350 0.001 0.000 0.195 259 E C 2.224 178.760 176.600 -0.106 0.000 0.992 259 E CA 0.784 57.049 56.400 -0.226 0.000 0.804 259 E CB -0.178 29.306 29.700 -0.359 0.000 0.741 259 E HN 0.333 nan 8.360 nan 0.000 0.458 260 L N 0.285 121.468 121.223 -0.066 0.000 2.093 260 L HA -0.101 4.240 4.340 0.001 0.000 0.208 260 L C 2.490 179.424 176.870 0.107 0.000 1.085 260 L CA 0.909 55.764 54.840 0.025 0.000 0.755 260 L CB -0.437 41.642 42.059 0.033 0.000 0.904 260 L HN 0.049 nan 8.230 nan 0.000 0.435 261 A N 0.227 123.110 122.820 0.105 0.000 1.933 261 A HA -0.223 4.097 4.320 0.001 0.000 0.218 261 A C 2.291 179.847 177.584 -0.046 0.000 1.175 261 A CA 1.593 53.619 52.037 -0.018 0.000 0.628 261 A CB -0.336 18.605 19.000 -0.098 0.000 0.814 261 A HN 0.314 nan 8.150 nan 0.000 0.444 262 K N -0.816 119.566 120.400 -0.029 0.000 2.152 262 K HA -0.157 4.164 4.320 0.001 0.000 0.206 262 K C 1.879 178.463 176.600 -0.027 0.000 1.048 262 K CA 1.563 57.835 56.287 -0.026 0.000 0.933 262 K CB -0.140 32.341 32.500 -0.032 0.000 0.721 262 K HN 0.228 nan 8.250 nan 0.000 0.447 263 R N -0.254 120.231 120.500 -0.024 0.000 2.323 263 R HA 0.040 4.381 4.340 0.001 0.000 0.198 263 R C 0.900 177.180 176.300 -0.034 0.000 0.988 263 R CA 0.648 56.733 56.100 -0.025 0.000 1.041 263 R CB -0.246 30.041 30.300 -0.022 0.000 0.926 263 R HN 0.376 nan 8.270 nan 0.000 0.476 264 G N 1.875 110.643 108.800 -0.052 0.000 2.341 264 G HA2 -0.305 3.655 3.960 0.001 0.000 0.292 264 G HA3 -0.305 3.655 3.960 0.001 0.000 0.292 264 G C 0.393 175.250 174.900 -0.071 0.000 1.021 264 G CA 0.637 45.686 45.100 -0.086 0.000 0.905 264 G HN 0.516 nan 8.290 nan 0.000 0.508 265 I N -3.255 117.301 120.570 -0.023 0.000 3.194 265 I HA 0.561 4.732 4.170 0.001 0.000 0.283 265 I C 1.621 177.750 176.117 0.021 0.000 1.199 265 I CA -0.156 61.137 61.300 -0.013 0.000 1.328 265 I CB 0.328 38.327 38.000 -0.002 0.000 1.404 265 I HN 0.130 nan 8.210 nan 0.000 0.618 266 A N 3.461 126.267 122.820 -0.023 0.000 1.877 266 A HA -0.004 4.316 4.320 0.001 0.000 0.216 266 A C 0.743 178.479 177.584 0.253 0.000 1.186 266 A CA 1.707 53.775 52.037 0.051 0.000 0.620 266 A CB -0.650 18.357 19.000 0.013 0.000 0.822 266 A HN 0.933 nan 8.150 nan 0.000 0.443 267 Y N -4.334 116.067 120.300 0.168 0.000 2.581 267 Y HA 0.646 5.196 4.550 0.000 0.000 0.337 267 Y C -1.341 174.562 175.900 0.004 0.000 1.108 267 Y CA -1.763 56.440 58.100 0.173 0.000 1.033 267 Y CB 0.951 39.450 38.460 0.066 0.000 1.318 267 Y HN 0.052 nan 8.280 nan 0.000 0.459 268 L N 3.979 125.216 121.223 0.024 0.000 2.294 268 L HA 0.442 4.783 4.340 0.001 0.000 0.283 268 L C -1.214 175.680 176.870 0.041 0.000 1.015 268 L CA -0.316 54.351 54.840 -0.288 0.000 0.831 268 L CB 0.747 42.213 42.059 -0.988 0.000 1.217 268 L HN 0.904 nan 8.230 nan 0.000 0.420 269 H N 6.329 125.416 119.070 0.030 0.000 2.641 269 H HA 0.431 4.987 4.556 0.000 0.000 0.295 269 H C -0.873 174.403 175.328 -0.086 0.000 1.070 269 H CA -0.867 55.172 56.048 -0.016 0.000 1.257 269 H CB 0.724 30.535 29.762 0.081 0.000 1.393 269 H HN 0.601 nan 8.280 nan 0.000 0.464 270 M N 3.955 123.631 119.600 0.126 0.000 2.084 270 M HA 0.096 4.576 4.480 0.001 0.000 0.351 270 M C 0.115 176.425 176.300 0.017 0.000 1.240 270 M CA -0.287 55.050 55.300 0.061 0.000 1.083 270 M CB 1.437 34.137 32.600 0.166 0.000 1.593 270 M HN 0.407 nan 8.290 nan 0.000 0.463 271 S N 3.975 119.627 115.700 -0.080 0.000 2.430 271 S HA 0.308 4.778 4.470 0.001 0.000 0.289 271 S C -0.415 174.258 174.600 0.122 0.000 1.143 271 S CA -0.610 57.566 58.200 -0.039 0.000 1.067 271 S CB 0.485 63.612 63.200 -0.121 0.000 0.964 271 S HN 0.687 nan 8.310 nan 0.000 0.485 272 E N 2.463 122.759 120.200 0.160 0.000 2.222 272 E HA 0.692 5.043 4.350 0.001 0.000 0.267 272 E C -0.026 176.765 176.600 0.318 0.000 0.963 272 E CA -0.594 55.925 56.400 0.199 0.000 0.837 272 E CB 1.758 31.389 29.700 -0.115 0.000 1.183 272 E HN 0.953 nan 8.360 nan 0.000 0.403 279 K N 2.253 122.662 120.400 0.016 0.000 2.322 279 K HA 0.778 5.098 4.320 0.001 0.000 0.283 279 K C -1.691 174.967 176.600 0.097 0.000 1.042 279 K CA -1.020 55.292 56.287 0.040 0.000 0.958 279 K CB -0.248 32.267 32.500 0.025 0.000 0.984 279 K HN 0.565 nan 8.250 nan 0.000 0.473 280 P HA 0.205 nan 4.420 nan 0.000 0.274 280 P C -0.799 176.666 177.300 0.275 0.000 1.246 280 P CA -0.558 62.629 63.100 0.144 0.000 0.795 280 P CB 0.168 31.912 31.700 0.073 0.000 1.006 281 Y N 0.142 120.489 120.300 0.079 0.000 2.402 281 Y HA 0.168 4.718 4.550 0.001 0.000 0.333 281 Y C 1.363 177.340 175.900 0.127 0.000 1.076 281 Y CA -1.022 57.164 58.100 0.143 0.000 1.299 281 Y CB -0.143 38.462 38.460 0.241 0.000 1.197 281 Y HN 0.280 nan 8.280 nan 0.000 0.517 282 S N 2.222 118.068 115.700 0.244 0.000 2.562 282 S HA 0.040 4.511 4.470 0.001 0.000 0.281 282 S C 1.055 175.782 174.600 0.211 0.000 1.333 282 S CA -0.519 57.788 58.200 0.178 0.000 1.052 282 S CB 0.786 64.063 63.200 0.128 0.000 0.884 282 S HN 0.774 nan 8.310 nan 0.000 0.506 283 E N 2.266 122.550 120.200 0.141 0.000 2.085 283 E HA -0.205 4.145 4.350 0.001 0.000 0.194 283 E C 2.383 179.045 176.600 0.104 0.000 0.994 283 E CA 1.349 57.817 56.400 0.113 0.000 0.801 283 E CB -0.518 29.225 29.700 0.072 0.000 0.743 283 E HN 0.877 nan 8.360 nan 0.000 0.453 284 A N 1.470 124.353 122.820 0.104 0.000 1.859 284 A HA -0.271 4.049 4.320 0.001 0.000 0.218 284 A C 2.013 179.670 177.584 0.122 0.000 1.209 284 A CA 1.870 53.965 52.037 0.096 0.000 0.639 284 A CB -1.152 17.905 19.000 0.094 0.000 0.835 284 A HN 0.389 nan 8.150 nan 0.000 0.450 285 F N 0.773 120.724 119.950 0.002 0.000 2.063 285 F HA -0.250 4.277 4.527 0.001 0.000 0.298 285 F C 2.469 178.269 175.800 -0.000 0.000 1.109 285 F CA 2.276 60.259 58.000 -0.027 0.000 1.212 285 F CB -0.433 38.509 39.000 -0.097 0.000 0.973 285 F HN 0.168 nan 8.300 nan 0.000 0.480 286 R N -0.380 120.107 120.500 -0.022 0.000 2.103 286 R HA -0.218 4.122 4.340 0.001 0.000 0.242 286 R C 2.291 178.518 176.300 -0.121 0.000 1.142 286 R CA 1.596 57.643 56.100 -0.088 0.000 0.960 286 R CB -0.602 29.755 30.300 0.096 0.000 0.858 286 R HN 0.387 nan 8.270 nan 0.000 0.439 287 Q N 0.761 120.529 119.800 -0.054 0.000 2.167 287 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 287 Q C 1.774 177.732 176.000 -0.071 0.000 0.970 287 Q CA 1.433 57.213 55.803 -0.039 0.000 0.855 287 Q CB 0.103 28.840 28.738 -0.001 0.000 0.911 287 Q HN 0.338 nan 8.270 nan 0.000 0.438 288 K N -0.517 119.813 120.400 -0.116 0.000 2.057 288 K HA -0.070 4.250 4.320 0.001 0.000 0.206 288 K C 2.166 178.661 176.600 -0.176 0.000 1.050 288 K CA 1.069 57.287 56.287 -0.115 0.000 0.935 288 K CB -0.005 32.446 32.500 -0.082 0.000 0.715 288 K HN -0.018 nan 8.250 nan 0.000 0.439 289 V N 1.511 121.226 119.914 -0.332 0.000 2.233 289 V HA -0.258 3.862 4.120 0.001 0.000 0.247 289 V C 2.361 178.387 176.094 -0.113 0.000 1.050 289 V CA 1.657 63.787 62.300 -0.283 0.000 1.010 289 V CB -0.457 31.126 31.823 -0.400 0.000 0.637 289 V HN 0.254 nan 8.190 nan 0.000 0.444 290 R N 0.071 120.523 120.500 -0.080 0.000 2.170 290 R HA -0.178 4.163 4.340 0.001 0.000 0.242 290 R C 2.126 178.425 176.300 -0.001 0.000 1.145 290 R CA 1.621 57.717 56.100 -0.008 0.000 0.984 290 R CB -0.662 29.637 30.300 -0.003 0.000 0.869 290 R HN 0.675 nan 8.270 nan 0.000 0.455 291 E N -0.883 119.303 120.200 -0.023 0.000 2.216 291 E HA -0.059 4.291 4.350 0.001 0.000 0.192 291 E C 1.721 178.304 176.600 -0.028 0.000 0.988 291 E CA 0.700 57.103 56.400 0.005 0.000 0.834 291 E CB 0.214 29.913 29.700 -0.002 0.000 0.772 291 E HN 0.225 nan 8.360 nan 0.000 0.479 292 R N -1.301 119.140 120.500 -0.098 0.000 2.225 292 R HA 0.140 4.481 4.340 0.001 0.000 0.194 292 R C -0.080 176.015 176.300 -0.342 0.000 0.957 292 R CA -0.082 55.925 56.100 -0.155 0.000 1.042 292 R CB 0.500 30.755 30.300 -0.075 0.000 1.004 292 R HN -0.032 nan 8.270 nan 0.000 0.509 293 F N 0.679 120.369 119.950 -0.435 0.000 2.458 293 F HA 0.275 4.802 4.527 0.000 0.000 0.336 293 F C 0.736 176.276 175.800 -0.432 0.000 1.114 293 F CA -0.725 57.011 58.000 -0.439 0.000 0.987 293 F CB 1.089 39.960 39.000 -0.216 0.000 1.130 293 F HN -0.019 nan 8.300 nan 0.000 0.458 294 H N 3.350 122.022 119.070 -0.663 0.000 2.740 294 H HA 0.266 4.822 4.556 0.000 0.000 0.265 294 H C 1.158 176.227 175.328 -0.432 0.000 0.978 294 H CA 0.475 56.281 56.048 -0.403 0.000 1.198 294 H CB 0.115 29.695 29.762 -0.303 0.000 1.467 294 H HN 0.694 nan 8.280 nan 0.000 0.511 295 G N 0.755 109.056 108.800 -0.831 0.000 2.494 295 G HA2 0.261 4.222 3.960 0.001 0.000 0.270 295 G HA3 0.261 4.222 3.960 0.001 0.000 0.270 295 G C -0.216 174.819 174.900 0.225 0.000 1.423 295 G CA -0.436 44.516 45.100 -0.246 0.000 1.055 295 G HN 0.055 nan 8.290 nan 0.000 0.536 296 V N 0.466 120.558 119.914 0.297 0.000 2.521 296 V HA 0.139 4.260 4.120 0.001 0.000 0.286 296 V C 0.272 176.516 176.094 0.249 0.000 1.034 296 V CA 0.354 62.788 62.300 0.224 0.000 1.045 296 V CB 0.624 32.545 31.823 0.163 0.000 0.974 296 V HN 0.326 nan 8.190 nan 0.000 0.480 297 I N 6.846 127.476 120.570 0.100 0.000 2.321 297 I HA 0.428 4.598 4.170 0.001 0.000 0.291 297 I C -0.214 175.814 176.117 -0.149 0.000 0.998 297 I CA -0.159 61.137 61.300 -0.006 0.000 1.227 297 I CB 1.179 39.182 38.000 0.004 0.000 1.368 297 I HN 0.410 nan 8.210 nan 0.000 0.466 298 I N 5.580 126.023 120.570 -0.211 0.000 2.362 298 I HA 0.445 4.615 4.170 0.001 0.000 0.289 298 I C 0.626 176.565 176.117 -0.297 0.000 0.994 298 I CA -0.388 60.665 61.300 -0.412 0.000 1.158 298 I CB 1.691 39.274 38.000 -0.695 0.000 1.315 298 I HN 0.590 nan 8.210 nan 0.000 0.451 299 G N 4.276 112.811 108.800 -0.442 0.000 2.389 299 G HA2 0.819 4.779 3.960 0.001 0.000 0.328 299 G HA3 0.819 4.779 3.960 0.001 0.000 0.328 299 G C -0.965 173.419 174.900 -0.860 0.000 1.133 299 G CA -0.373 44.431 45.100 -0.493 0.000 0.891 299 G HN 0.801 nan 8.290 nan 0.000 0.485 300 A N -0.413 122.104 122.820 -0.504 0.000 2.609 300 A HA 0.989 5.310 4.320 0.001 0.000 0.291 300 A C -0.051 177.593 177.584 0.100 0.000 1.096 300 A CA -0.065 51.769 52.037 -0.338 0.000 0.684 300 A CB 1.410 20.392 19.000 -0.031 0.000 1.282 300 A HN 2.579 nan 8.150 nan 0.000 0.412 301 G N -0.605 108.314 108.800 0.199 0.000 2.768 301 G HA2 0.550 4.510 3.960 0.001 0.000 0.666 301 G HA3 0.550 4.510 3.960 0.001 0.000 0.666 301 G C 0.667 175.711 174.900 0.240 0.000 1.162 301 G CA 0.849 46.085 45.100 0.226 0.000 1.226 301 G HN 2.673 nan 8.290 nan 0.000 0.535 302 A N 0.379 123.317 122.820 0.197 0.000 2.745 302 A HA -0.184 4.136 4.320 0.001 0.000 0.296 302 A C 0.572 178.249 177.584 0.155 0.000 1.500 302 A CA 1.705 53.836 52.037 0.157 0.000 0.766 302 A CB -2.090 16.962 19.000 0.086 0.000 1.030 302 A HN 1.988 nan 8.150 nan 0.000 0.489 303 Y N 0.030 120.359 120.300 0.049 0.000 2.301 303 Y HA 0.452 5.003 4.550 0.001 0.000 0.328 303 Y C 1.544 177.589 175.900 0.242 0.000 1.242 303 Y CA 0.926 59.050 58.100 0.041 0.000 1.323 303 Y CB 0.973 39.324 38.460 -0.182 0.000 1.266 303 Y HN 0.634 nan 8.280 nan 0.000 0.527 304 T N -1.596 113.142 114.554 0.307 0.000 2.950 304 T HA 0.581 4.931 4.350 0.001 0.000 0.288 304 T C 0.870 175.795 174.700 0.375 0.000 1.035 304 T CA -0.421 61.859 62.100 0.300 0.000 1.028 304 T CB 1.628 70.563 68.868 0.112 0.000 1.109 304 T HN 0.722 nan 8.240 nan 0.000 0.514 305 A N 0.189 123.155 122.820 0.243 0.000 1.940 305 A HA -0.106 4.214 4.320 0.001 0.000 0.219 305 A C 2.200 179.861 177.584 0.129 0.000 1.176 305 A CA 2.007 54.161 52.037 0.195 0.000 0.631 305 A CB -1.057 17.973 19.000 0.050 0.000 0.814 305 A HN 1.026 nan 8.150 nan 0.000 0.446 306 E N -0.068 120.186 120.200 0.090 0.000 2.072 306 E HA -0.224 4.126 4.350 0.001 0.000 0.190 306 E C 2.084 178.709 176.600 0.042 0.000 0.982 306 E CA 1.356 57.789 56.400 0.055 0.000 0.803 306 E CB -0.191 29.530 29.700 0.035 0.000 0.755 306 E HN 0.643 nan 8.360 nan 0.000 0.453 307 K N 0.259 120.679 120.400 0.034 0.000 2.103 307 K HA -0.142 4.178 4.320 0.001 0.000 0.207 307 K C 1.960 178.576 176.600 0.027 0.000 1.048 307 K CA 1.273 57.542 56.287 -0.031 0.000 0.930 307 K CB -0.170 32.228 32.500 -0.170 0.000 0.716 307 K HN 0.153 nan 8.250 nan 0.000 0.444 308 A N 0.927 123.827 122.820 0.133 0.000 1.897 308 A HA -0.140 4.180 4.320 0.001 0.000 0.215 308 A C 1.983 179.593 177.584 0.044 0.000 1.181 308 A CA 1.602 53.730 52.037 0.151 0.000 0.620 308 A CB -0.502 18.586 19.000 0.148 0.000 0.821 308 A HN 0.490 nan 8.150 nan 0.000 0.443 309 E N 0.572 120.793 120.200 0.035 0.000 2.106 309 E HA -0.177 4.174 4.350 0.001 0.000 0.192 309 E C 1.528 178.133 176.600 0.008 0.000 0.984 309 E CA 1.567 57.971 56.400 0.006 0.000 0.806 309 E CB -0.298 29.414 29.700 0.020 0.000 0.750 309 E HN 0.604 nan 8.360 nan 0.000 0.458 310 D N -0.451 119.958 120.400 0.015 0.000 2.119 310 D HA -0.162 4.478 4.640 0.001 0.000 0.199 310 D C 1.956 178.262 176.300 0.010 0.000 0.987 310 D CA 1.923 55.928 54.000 0.009 0.000 0.858 310 D CB -0.348 40.454 40.800 0.003 0.000 1.008 310 D HN 0.223 nan 8.370 nan 0.000 0.450 311 L N 0.216 121.448 121.223 0.016 0.000 2.123 311 L HA -0.256 4.085 4.340 0.001 0.000 0.217 311 L C 2.654 179.529 176.870 0.008 0.000 1.081 311 L CA 0.992 55.846 54.840 0.025 0.000 0.772 311 L CB -0.530 41.566 42.059 0.061 0.000 0.890 311 L HN 0.316 nan 8.230 nan 0.000 0.437 312 I N -0.610 119.955 120.570 -0.008 0.000 2.163 312 I HA -0.200 3.970 4.170 0.001 0.000 0.240 312 I C 2.681 178.786 176.117 -0.020 0.000 1.081 312 I CA 1.515 62.795 61.300 -0.034 0.000 1.353 312 I CB -0.991 36.970 38.000 -0.065 0.000 1.054 312 I HN 0.303 nan 8.210 nan 0.000 0.407 313 G N 0.998 109.791 108.800 -0.011 0.000 2.469 313 G HA2 -0.249 3.711 3.960 0.001 0.000 0.220 313 G HA3 -0.249 3.711 3.960 0.001 0.000 0.220 313 G C 1.626 176.526 174.900 0.001 0.000 1.136 313 G CA 0.573 45.671 45.100 -0.003 0.000 0.759 313 G HN 0.353 nan 8.290 nan 0.000 0.562 314 K N 0.322 120.724 120.400 0.004 0.000 2.555 314 K HA 0.154 4.474 4.320 0.001 0.000 0.193 314 K C 1.609 178.213 176.600 0.007 0.000 1.032 314 K CA 0.356 56.648 56.287 0.008 0.000 1.004 314 K CB -0.032 32.476 32.500 0.013 0.000 0.804 314 K HN 0.344 nan 8.250 nan 0.000 0.496 315 G N 1.572 110.373 108.800 0.001 0.000 2.225 315 G HA2 -0.266 3.694 3.960 0.001 0.000 0.267 315 G HA3 -0.266 3.694 3.960 0.001 0.000 0.267 315 G C 0.550 175.453 174.900 0.005 0.000 1.024 315 G CA 0.208 45.308 45.100 0.000 0.000 0.784 315 G HN 0.299 nan 8.290 nan 0.000 0.507 316 L N -0.654 120.573 121.223 0.007 0.000 2.408 316 L HA 0.447 4.788 4.340 0.001 0.000 0.215 316 L C 1.677 178.552 176.870 0.007 0.000 1.081 316 L CA 0.887 55.735 54.840 0.013 0.000 0.840 316 L CB -0.049 42.028 42.059 0.029 0.000 1.002 316 L HN 0.618 nan 8.230 nan 0.000 0.468 317 I N -5.398 115.165 120.570 -0.011 0.000 3.174 317 I HA 0.394 4.565 4.170 0.001 0.000 0.313 317 I C -0.576 175.489 176.117 -0.086 0.000 1.155 317 I CA -0.752 60.518 61.300 -0.050 0.000 0.977 317 I CB 2.260 40.216 38.000 -0.073 0.000 1.248 317 I HN -0.209 nan 8.210 nan 0.000 0.453 318 D N 1.619 121.936 120.400 -0.139 0.000 2.454 318 D HA 0.451 5.091 4.640 0.001 0.000 0.214 318 D C 0.393 176.513 176.300 -0.300 0.000 1.088 318 D CA 0.517 54.419 54.000 -0.163 0.000 0.855 318 D CB 1.706 42.441 40.800 -0.108 0.000 1.025 318 D HN 0.695 nan 8.370 nan 0.000 0.502 319 A N 0.117 122.671 122.820 -0.443 0.000 2.564 319 A HA 0.590 4.910 4.320 0.001 0.000 0.291 319 A C -1.860 175.269 177.584 -0.759 0.000 1.102 319 A CA -0.585 51.019 52.037 -0.722 0.000 0.660 319 A CB 1.828 20.058 19.000 -1.283 0.000 1.283 319 A HN -0.055 nan 8.150 nan 0.000 0.430 320 V N -0.215 119.188 119.914 -0.851 0.000 2.760 320 V HA 0.806 4.927 4.120 0.001 0.000 0.309 320 V C -0.265 175.348 176.094 -0.802 0.000 1.077 320 V CA 0.118 61.883 62.300 -0.892 0.000 0.910 320 V CB 1.551 32.819 31.823 -0.924 0.000 1.008 320 V HN 2.184 nan 8.190 nan 0.000 0.424 321 A N 6.172 128.579 122.820 -0.689 0.000 2.290 321 A HA 0.855 5.175 4.320 0.001 0.000 0.310 321 A C -1.035 176.310 177.584 -0.399 0.000 1.202 321 A CA -0.327 51.508 52.037 -0.337 0.000 0.837 321 A CB 0.403 19.321 19.000 -0.136 0.000 1.139 321 A HN 0.762 nan 8.150 nan 0.000 0.509 322 F N 1.880 121.897 119.950 0.112 0.000 2.420 322 F HA 0.529 5.056 4.527 0.000 0.000 0.342 322 F C 1.303 177.204 175.800 0.167 0.000 1.113 322 F CA 0.388 58.467 58.000 0.132 0.000 1.059 322 F CB 2.061 41.130 39.000 0.115 0.000 1.128 322 F HN 0.694 nan 8.300 nan 0.000 0.475 323 G N 2.726 111.680 108.800 0.256 0.000 2.618 323 G HA2 -0.003 3.958 3.960 0.001 0.000 0.222 323 G HA3 -0.003 3.958 3.960 0.001 0.000 0.222 323 G C 1.510 176.457 174.900 0.079 0.000 1.520 323 G CA -0.136 45.051 45.100 0.144 0.000 0.930 323 G HN 0.549 nan 8.290 nan 0.000 0.547 324 R N 0.651 121.159 120.500 0.013 0.000 2.113 324 R HA -0.095 4.245 4.340 0.001 0.000 0.244 324 R C 2.167 178.448 176.300 -0.033 0.000 1.142 324 R CA 1.739 57.803 56.100 -0.062 0.000 0.953 324 R CB -0.386 29.948 30.300 0.057 0.000 0.860 324 R HN 0.264 nan 8.270 nan 0.000 0.438 325 D N -0.402 120.000 120.400 0.004 0.000 2.182 325 D HA -0.183 4.457 4.640 0.001 0.000 0.201 325 D C 1.611 177.791 176.300 -0.200 0.000 0.986 325 D CA 1.297 55.225 54.000 -0.118 0.000 0.847 325 D CB -0.199 40.478 40.800 -0.205 0.000 0.942 325 D HN 0.254 nan 8.370 nan 0.000 0.467 326 Y N 0.680 120.939 120.300 -0.069 0.000 2.337 326 Y HA 0.040 4.591 4.550 0.001 0.000 0.293 326 Y C 2.315 178.106 175.900 -0.182 0.000 1.123 326 Y CA 0.179 58.219 58.100 -0.100 0.000 1.201 326 Y CB -0.211 38.232 38.460 -0.028 0.000 1.011 326 Y HN -0.066 nan 8.280 nan 0.000 0.545 327 I N -0.797 119.754 120.570 -0.032 0.000 2.194 327 I HA -0.366 3.804 4.170 0.001 0.000 0.246 327 I C 2.264 178.076 176.117 -0.509 0.000 1.093 327 I CA 1.683 62.907 61.300 -0.126 0.000 1.355 327 I CB -0.383 37.495 38.000 -0.202 0.000 1.046 327 I HN 0.182 nan 8.210 nan 0.000 0.413 328 A N -0.592 121.854 122.820 -0.624 0.000 2.238 328 A HA 0.127 4.448 4.320 0.001 0.000 0.210 328 A C 0.555 177.806 177.584 -0.555 0.000 1.179 328 A CA 0.203 51.538 52.037 -1.170 0.000 0.827 328 A CB -0.033 18.626 19.000 -0.568 0.000 0.856 328 A HN 0.372 nan 8.150 nan 0.000 0.488 329 N N 0.078 118.575 118.700 -0.338 0.000 2.648 329 N HA 0.204 4.944 4.740 0.001 0.000 0.261 329 N C -2.681 172.723 175.510 -0.178 0.000 1.138 329 N CA -1.036 51.884 53.050 -0.217 0.000 0.804 329 N CB 1.778 40.109 38.487 -0.260 0.000 1.237 329 N HN -0.098 nan 8.380 nan 0.000 0.532 330 P HA -0.144 nan 4.420 nan 0.000 0.216 330 P C 0.428 177.741 177.300 0.021 0.000 1.153 330 P CA 1.569 64.666 63.100 -0.005 0.000 0.858 330 P CB 0.174 31.870 31.700 -0.005 0.000 0.789 331 D N -0.877 119.500 120.400 -0.038 0.000 2.894 331 D HA 0.024 4.664 4.640 0.001 0.000 0.248 331 D C 1.335 177.573 176.300 -0.102 0.000 1.291 331 D CA -0.521 53.461 54.000 -0.030 0.000 0.840 331 D CB -0.651 40.136 40.800 -0.021 0.000 1.044 331 D HN -0.014 nan 8.370 nan 0.000 0.484 332 L N 0.200 121.271 121.223 -0.254 0.000 2.129 332 L HA -0.191 4.149 4.340 0.001 0.000 0.212 332 L C 1.875 178.628 176.870 -0.196 0.000 1.087 332 L CA 1.384 55.985 54.840 -0.398 0.000 0.757 332 L CB -0.266 41.221 42.059 -0.952 0.000 0.896 332 L HN 0.050 nan 8.230 nan 0.000 0.434 333 V N -0.345 119.546 119.914 -0.038 0.000 2.307 333 V HA -0.288 3.832 4.120 0.001 0.000 0.245 333 V C 2.745 178.901 176.094 0.103 0.000 1.045 333 V CA 1.664 64.045 62.300 0.136 0.000 1.024 333 V CB -1.019 30.930 31.823 0.210 0.000 0.651 333 V HN 0.625 nan 8.190 nan 0.000 0.449 334 A N -0.088 122.738 122.820 0.010 0.000 1.908 334 A HA -0.253 4.068 4.320 0.001 0.000 0.218 334 A C 2.325 179.865 177.584 -0.072 0.000 1.181 334 A CA 1.998 54.004 52.037 -0.051 0.000 0.627 334 A CB -0.508 18.466 19.000 -0.042 0.000 0.818 334 A HN 0.544 nan 8.150 nan 0.000 0.445 335 R N -0.492 119.969 120.500 -0.066 0.000 2.081 335 R HA -0.024 4.317 4.340 0.001 0.000 0.235 335 R C 2.063 178.330 176.300 -0.054 0.000 1.131 335 R CA 1.443 57.499 56.100 -0.074 0.000 0.960 335 R CB -0.569 29.671 30.300 -0.101 0.000 0.856 335 R HN 0.511 nan 8.270 nan 0.000 0.436 336 L N 1.368 122.582 121.223 -0.016 0.000 2.083 336 L HA -0.221 4.119 4.340 0.001 0.000 0.209 336 L C 2.632 179.589 176.870 0.144 0.000 1.083 336 L CA 1.444 56.337 54.840 0.088 0.000 0.752 336 L CB -0.605 41.549 42.059 0.157 0.000 0.899 336 L HN 0.353 nan 8.230 nan 0.000 0.433 337 Q N 0.021 119.777 119.800 -0.073 0.000 2.378 337 Q HA -0.123 4.217 4.340 0.001 0.000 0.205 337 Q C 1.396 177.258 176.000 -0.231 0.000 0.954 337 Q CA 0.872 56.401 55.803 -0.456 0.000 0.901 337 Q CB -0.071 27.995 28.738 -1.121 0.000 0.981 337 Q HN 0.396 nan 8.270 nan 0.000 0.483 338 K N 0.812 121.131 120.400 -0.135 0.000 2.372 338 K HA 0.152 4.472 4.320 0.001 0.000 0.200 338 K C -0.426 176.140 176.600 -0.057 0.000 1.022 338 K CA -0.214 56.017 56.287 -0.094 0.000 1.125 338 K CB 0.527 32.977 32.500 -0.082 0.000 0.855 338 K HN 0.074 nan 8.250 nan 0.000 0.524 339 K N 0.465 120.840 120.400 -0.041 0.000 3.078 339 K HA -0.229 4.091 4.320 0.001 0.000 0.261 339 K C -0.211 176.370 176.600 -0.031 0.000 0.947 339 K CA 0.418 56.692 56.287 -0.023 0.000 0.702 339 K CB -1.748 30.745 32.500 -0.012 0.000 1.318 339 K HN 0.298 nan 8.250 nan 0.000 0.473 340 A N 1.076 123.871 122.820 -0.042 0.000 2.351 340 A HA 0.466 4.786 4.320 0.001 0.000 0.257 340 A C 0.792 178.352 177.584 -0.040 0.000 1.087 340 A CA 0.302 52.316 52.037 -0.039 0.000 0.798 340 A CB 0.266 19.240 19.000 -0.043 0.000 1.033 340 A HN 0.489 nan 8.150 nan 0.000 0.488 341 E N 0.547 120.729 120.200 -0.030 0.000 2.436 341 E HA 0.440 4.791 4.350 0.001 0.000 0.262 341 E C -0.386 176.192 176.600 -0.036 0.000 1.063 341 E CA 0.129 56.513 56.400 -0.027 0.000 0.944 341 E CB -0.056 29.635 29.700 -0.014 0.000 0.950 341 E HN 0.626 nan 8.360 nan 0.000 0.444 342 L N 2.009 123.209 121.223 -0.038 0.000 2.331 342 L HA 0.372 4.712 4.340 0.001 0.000 0.275 342 L C 0.395 177.260 176.870 -0.009 0.000 1.022 342 L CA -1.307 53.504 54.840 -0.048 0.000 0.812 342 L CB 1.656 43.666 42.059 -0.083 0.000 1.257 342 L HN 0.572 nan 8.230 nan 0.000 0.435 343 N N 1.727 120.434 118.700 0.012 0.000 2.395 343 N HA 0.110 4.850 4.740 0.001 0.000 0.246 343 N C -2.328 173.239 175.510 0.095 0.000 1.246 343 N CA -0.779 52.319 53.050 0.081 0.000 0.879 343 N CB -0.065 38.531 38.487 0.182 0.000 1.098 343 N HN 0.322 nan 8.380 nan 0.000 0.444 344 P HA 0.100 nan 4.420 nan 0.000 0.271 344 P C -0.397 177.030 177.300 0.213 0.000 1.216 344 P CA -0.025 63.147 63.100 0.119 0.000 0.776 344 P CB 0.562 32.316 31.700 0.090 0.000 0.881 345 Q N 1.720 121.631 119.800 0.185 0.000 2.293 345 Q HA 0.290 4.630 4.340 0.001 0.000 0.251 345 Q C 0.074 176.208 176.000 0.222 0.000 0.930 345 Q CA -0.071 55.894 55.803 0.271 0.000 0.893 345 Q CB 0.882 29.775 28.738 0.260 0.000 1.215 345 Q HN 0.270 nan 8.270 nan 0.000 0.425 346 R N 2.965 123.652 120.500 0.311 0.000 2.664 346 R HA 0.183 4.523 4.340 0.001 0.000 0.281 346 R C -1.969 174.165 176.300 -0.278 0.000 1.383 346 R CA -1.632 54.502 56.100 0.057 0.000 1.563 346 R CB 0.615 30.954 30.300 0.065 0.000 1.131 346 R HN 0.472 nan 8.270 nan 0.000 0.599 347 P HA -0.258 nan 4.420 nan 0.000 0.217 347 P C 1.059 177.916 177.300 -0.738 0.000 1.148 347 P CA 1.171 63.396 63.100 -1.458 0.000 0.828 347 P CB 0.266 31.524 31.700 -0.737 0.000 0.783 348 E N 0.284 120.285 120.200 -0.331 0.000 2.401 348 E HA -0.108 4.242 4.350 0.001 0.000 0.199 348 E C 0.782 177.340 176.600 -0.070 0.000 1.023 348 E CA 1.465 57.781 56.400 -0.140 0.000 0.859 348 E CB -0.790 28.864 29.700 -0.078 0.000 0.780 348 E HN 0.350 nan 8.360 nan 0.000 0.523 349 S N -0.833 114.824 115.700 -0.073 0.000 2.664 349 S HA 0.225 4.695 4.470 0.001 0.000 0.245 349 S C 0.941 175.639 174.600 0.165 0.000 1.019 349 S CA -0.716 57.512 58.200 0.047 0.000 0.996 349 S CB -0.380 62.853 63.200 0.055 0.000 0.878 349 S HN -0.042 nan 8.310 nan 0.000 0.493 350 F N 2.021 121.916 119.950 -0.090 0.000 2.134 350 F HA 0.164 4.691 4.527 0.001 0.000 0.299 350 F C 0.441 176.050 175.800 -0.318 0.000 1.097 350 F CA -0.134 57.703 58.000 -0.272 0.000 1.264 350 F CB -0.744 37.910 39.000 -0.576 0.000 1.001 350 F HN 0.287 nan 8.300 nan 0.000 0.479 351 Y N -0.380 120.063 120.300 0.239 0.000 2.331 351 Y HA 0.540 5.091 4.550 0.000 0.000 0.338 351 Y C 0.853 176.781 175.900 0.046 0.000 0.992 351 Y CA -0.919 57.256 58.100 0.124 0.000 1.121 351 Y CB 0.750 39.305 38.460 0.158 0.000 1.184 351 Y HN 0.279 nan 8.280 nan 0.000 0.469 352 G N 1.026 109.910 108.800 0.140 0.000 2.796 352 G HA2 0.338 4.298 3.960 0.001 0.000 0.226 352 G HA3 0.338 4.298 3.960 0.001 0.000 0.226 352 G C 0.168 175.052 174.900 -0.027 0.000 1.381 352 G CA -0.162 44.964 45.100 0.043 0.000 0.867 352 G HN 1.843 nan 8.290 nan 0.000 0.552 353 G N -1.894 106.886 108.800 -0.032 0.000 2.527 353 G HA2 0.516 4.477 3.960 0.001 0.000 0.227 353 G HA3 0.516 4.477 3.960 0.001 0.000 0.227 353 G C 1.145 175.997 174.900 -0.080 0.000 1.291 353 G CA 0.980 46.056 45.100 -0.040 0.000 0.904 353 G HN 2.720 nan 8.290 nan 0.000 0.577 354 G N -2.532 106.239 108.800 -0.049 0.000 3.259 354 G HA2 0.749 4.709 3.960 0.001 0.000 0.178 354 G HA3 0.749 4.709 3.960 0.001 0.000 0.178 354 G C 1.380 176.309 174.900 0.048 0.000 1.129 354 G CA 1.315 46.399 45.100 -0.027 0.000 0.816 354 G HN 1.985 nan 8.290 nan 0.000 0.634 355 A N -0.792 122.093 122.820 0.107 0.000 2.076 355 A HA 0.083 4.404 4.320 0.001 0.000 0.220 355 A C 1.219 178.886 177.584 0.138 0.000 1.160 355 A CA 1.527 53.670 52.037 0.176 0.000 0.653 355 A CB -0.538 18.528 19.000 0.110 0.000 0.801 355 A HN 0.553 nan 8.150 nan 0.000 0.455 356 E N -0.530 119.712 120.200 0.069 0.000 2.351 356 E HA 0.346 4.697 4.350 0.001 0.000 0.266 356 E C 1.035 177.656 176.600 0.036 0.000 1.031 356 E CA 0.462 56.874 56.400 0.020 0.000 0.911 356 E CB -0.093 29.604 29.700 -0.005 0.000 0.986 356 E HN 0.672 nan 8.360 nan 0.000 0.446 357 G N 3.559 112.332 108.800 -0.045 0.000 2.153 357 G HA2 -0.330 3.630 3.960 0.001 0.000 0.252 357 G HA3 -0.330 3.630 3.960 0.001 0.000 0.252 357 G C -0.043 175.071 174.900 0.357 0.000 0.994 357 G CA 0.680 45.774 45.100 -0.010 0.000 0.698 357 G HN 0.655 nan 8.290 nan 0.000 0.521 358 Y N -0.041 120.346 120.300 0.145 0.000 3.105 358 Y HA 0.227 4.778 4.550 0.000 0.000 0.216 358 Y C 2.468 178.556 175.900 0.313 0.000 0.943 358 Y CA 2.084 60.301 58.100 0.195 0.000 1.535 358 Y CB 0.032 38.497 38.460 0.009 0.000 1.475 358 Y HN 0.411 nan 8.280 nan 0.000 0.435 359 T N -1.666 112.962 114.554 0.125 0.000 3.069 359 T HA 0.132 4.482 4.350 0.001 0.000 0.252 359 T C 0.335 175.081 174.700 0.077 0.000 1.053 359 T CA 0.491 62.618 62.100 0.044 0.000 0.964 359 T CB -0.123 68.748 68.868 0.005 0.000 1.005 359 T HN 0.421 nan 8.240 nan 0.000 0.532 360 D N -0.187 120.256 120.400 0.072 0.000 2.424 360 D HA 0.051 4.691 4.640 0.001 0.000 0.220 360 D C -0.546 175.737 176.300 -0.028 0.000 1.150 360 D CA -0.686 53.314 54.000 0.000 0.000 0.831 360 D CB -0.666 40.102 40.800 -0.053 0.000 0.981 360 D HN 0.395 nan 8.370 nan 0.000 0.500 361 Y N 1.673 121.997 120.300 0.040 0.000 2.365 361 Y HA 0.366 4.916 4.550 0.000 0.000 0.340 361 Y C -1.871 174.035 175.900 0.010 0.000 1.016 361 Y CA -1.997 56.122 58.100 0.032 0.000 1.196 361 Y CB 0.986 39.472 38.460 0.043 0.000 1.167 361 Y HN -0.057 nan 8.280 nan 0.000 0.509 362 P HA 0.206 nan 4.420 nan 0.000 0.279 362 P C -0.639 176.696 177.300 0.060 0.000 1.252 362 P CA -0.700 62.446 63.100 0.076 0.000 0.811 362 P CB 1.245 32.974 31.700 0.048 0.000 1.035 363 S N 1.046 116.765 115.700 0.031 0.000 2.681 363 S HA 0.400 4.870 4.470 0.001 0.000 0.270 363 S C 0.493 175.095 174.600 0.003 0.000 1.209 363 S CA -0.598 57.608 58.200 0.010 0.000 0.988 363 S CB -0.086 63.116 63.200 0.004 0.000 1.006 363 S HN 0.200 nan 8.310 nan 0.000 0.558 364 L N 0.000 121.217 121.223 -0.010 0.000 2.949 364 L HA 0.000 4.340 4.340 0.001 0.000 0.249 364 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 364 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 364 L HN 0.000 nan 8.230 nan 0.000 0.502