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 2j4o_1_A DATA FIRST_RESID 16 DATA SEQUENCE SWTDDLPLCH LSGVGSASNR SYSADGKGTE SHPPEDSWLK FRSENNCFLY DATA SEQUENCE GVFNGYDGNR VTNFVAQRLS AELLLGQLNA EHAEADVRRV LLQAFDVVER DATA SEQUENCE SFLESIDDAL AEKASLQSQL PEGVPQHQLP PQYQKILERL KTLEREISGG DATA SEQUENCE AMAVVAVLLN NKLYVANVGT NRALLCKSTV DGLQVTQLNV DHTTENEDEL DATA SEQUENCE FRLSQLGLDA GKIKQVGIIC GQESTRRIGD YKVKYGYTDI DLLSAAKSKP DATA SEQUENCE IIAEPEIHGA QPLDGVTGFL VLMSEGLYKA LEAAHGPGQA NQEIAAMIDT DATA SEQUENCE EFAKQTSLDA VAQAVVDRVK RIHSDTFASG GERARFCPRH EDMTLLVRNF DATA SEQUENCE GYPLGE 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.586 174.600 -0.024 0.000 1.055 16 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 16 S CB 0.000 63.126 63.200 -0.123 0.000 0.593 17 W N 0.308 121.566 121.300 -0.070 0.000 3.047 17 W HA 0.142 4.802 4.660 0.001 0.000 0.250 17 W C 0.720 177.173 176.519 -0.110 0.000 1.314 17 W CA 0.890 58.186 57.345 -0.083 0.000 1.540 17 W CB -1.112 28.292 29.460 -0.095 0.000 1.127 17 W HN 0.605 nan 8.180 nan 0.000 0.679 18 T N 1.731 115.665 114.554 -1.032 0.000 2.809 18 T HA -0.135 4.215 4.350 0.001 0.000 0.260 18 T C 1.264 175.698 174.700 -0.443 0.000 1.039 18 T CA 1.761 63.221 62.100 -1.065 0.000 1.141 18 T CB -0.292 68.132 68.868 -0.741 0.000 0.869 18 T HN -0.006 nan 8.240 nan 0.000 0.437 19 D N 1.679 121.933 120.400 -0.244 0.000 2.354 19 D HA -0.123 4.518 4.640 0.001 0.000 0.216 19 D C 1.687 177.954 176.300 -0.055 0.000 0.970 19 D CA 1.064 55.010 54.000 -0.090 0.000 0.905 19 D CB -0.173 40.586 40.800 -0.068 0.000 0.903 19 D HN 0.681 nan 8.370 nan 0.000 0.508 20 D N -0.218 120.121 120.400 -0.101 0.000 2.162 20 D HA -0.069 4.572 4.640 0.001 0.000 0.205 20 D C 1.081 177.367 176.300 -0.024 0.000 0.964 20 D CA 0.475 54.452 54.000 -0.039 0.000 0.847 20 D CB -0.100 40.701 40.800 0.001 0.000 0.988 20 D HN 0.149 nan 8.370 nan 0.000 0.480 21 L N 0.533 121.707 121.223 -0.083 0.000 2.313 21 L HA 0.383 4.723 4.340 0.001 0.000 0.268 21 L C -2.092 174.812 176.870 0.056 0.000 1.010 21 L CA -2.397 52.423 54.840 -0.034 0.000 0.814 21 L CB 1.409 43.436 42.059 -0.053 0.000 1.304 21 L HN -0.125 nan 8.230 nan 0.000 0.441 22 P HA -0.184 nan 4.420 nan 0.000 0.249 22 P C -0.965 176.514 177.300 0.299 0.000 1.084 22 P CA 0.977 64.172 63.100 0.157 0.000 0.773 22 P CB -0.064 31.695 31.700 0.099 0.000 0.666 23 L N 3.307 124.689 121.223 0.266 0.000 2.357 23 L HA 0.320 4.660 4.340 0.001 0.000 0.273 23 L C 1.168 178.215 176.870 0.295 0.000 1.080 23 L CA -0.810 54.189 54.840 0.265 0.000 0.803 23 L CB 1.524 43.695 42.059 0.186 0.000 1.174 23 L HN 0.473 nan 8.230 nan 0.000 0.443 24 C N 3.167 122.656 119.300 0.315 0.000 2.482 24 C HA 0.168 4.629 4.460 0.001 0.000 0.378 24 C C 1.749 176.907 174.990 0.279 0.000 1.284 24 C CA -0.637 58.621 59.018 0.401 0.000 1.826 24 C CB -0.605 27.424 27.740 0.483 0.000 2.473 24 C HN 0.909 nan 8.230 nan 0.000 0.562 25 H N 4.480 123.645 119.070 0.158 0.000 2.551 25 H HA 0.061 4.617 4.556 0.001 0.000 0.266 25 H C 0.942 176.292 175.328 0.036 0.000 0.977 25 H CA 0.582 56.680 56.048 0.083 0.000 1.163 25 H CB -0.318 29.493 29.762 0.082 0.000 1.381 25 H HN 0.742 nan 8.280 nan 0.000 0.581 26 L N 1.917 122.893 121.223 -0.412 0.000 2.685 26 L HA 0.182 4.522 4.340 0.001 0.000 0.233 26 L C 0.141 176.848 176.870 -0.272 0.000 1.173 26 L CA -0.177 54.443 54.840 -0.367 0.000 0.961 26 L CB 0.033 41.810 42.059 -0.470 0.000 1.217 26 L HN 0.225 nan 8.230 nan 0.000 0.478 27 S N -1.575 114.021 115.700 -0.175 0.000 2.618 27 S HA 0.890 5.360 4.470 0.001 0.000 0.277 27 S C -0.421 174.068 174.600 -0.185 0.000 1.138 27 S CA -0.522 57.549 58.200 -0.215 0.000 0.844 27 S CB 2.542 65.643 63.200 -0.165 0.000 1.127 27 S HN 0.041 nan 8.310 nan 0.000 0.474 28 G N -0.274 108.374 108.800 -0.254 0.000 2.660 28 G HA2 0.667 4.628 3.960 0.001 0.000 0.294 28 G HA3 0.667 4.628 3.960 0.001 0.000 0.294 28 G C -1.798 172.879 174.900 -0.371 0.000 1.369 28 G CA -0.814 44.118 45.100 -0.280 0.000 0.912 28 G HN 1.003 nan 8.290 nan 0.000 0.479 29 V N -0.481 119.161 119.914 -0.454 0.000 2.925 29 V HA 0.926 5.046 4.120 0.001 0.000 0.311 29 V C 0.392 176.220 176.094 -0.443 0.000 1.104 29 V CA -0.250 61.688 62.300 -0.604 0.000 0.954 29 V CB 2.112 33.182 31.823 -1.256 0.000 1.022 29 V HN 1.259 nan 8.190 nan 0.000 0.427 30 G N 1.532 110.117 108.800 -0.358 0.000 2.571 30 G HA2 0.825 4.786 3.960 0.001 0.000 0.304 30 G HA3 0.825 4.786 3.960 0.001 0.000 0.304 30 G C -0.857 173.941 174.900 -0.170 0.000 1.314 30 G CA -0.128 44.837 45.100 -0.224 0.000 0.975 30 G HN 1.129 nan 8.290 nan 0.000 0.485 31 S N -0.954 114.694 115.700 -0.087 0.000 2.615 31 S HA 0.929 5.399 4.470 0.001 0.000 0.269 31 S C -0.758 173.844 174.600 0.003 0.000 1.161 31 S CA -0.290 57.898 58.200 -0.020 0.000 0.817 31 S CB 1.721 64.961 63.200 0.066 0.000 1.131 31 S HN 2.384 nan 8.310 nan 0.000 0.467 32 A N 0.569 123.403 122.820 0.022 0.000 2.594 32 A HA 0.824 5.144 4.320 0.001 0.000 0.296 32 A C -0.343 177.270 177.584 0.048 0.000 1.061 32 A CA -0.271 51.784 52.037 0.031 0.000 0.689 32 A CB 1.197 20.206 19.000 0.015 0.000 1.280 32 A HN 1.596 nan 8.150 nan 0.000 0.406 33 S N 0.760 116.480 115.700 0.035 0.000 2.592 33 S HA 0.424 4.894 4.470 0.001 0.000 0.271 33 S C 0.635 175.200 174.600 -0.059 0.000 1.326 33 S CA 0.050 58.243 58.200 -0.011 0.000 1.024 33 S CB -0.030 63.145 63.200 -0.042 0.000 0.921 33 S HN 1.341 nan 8.310 nan 0.000 0.527 34 N N 2.778 121.369 118.700 -0.182 0.000 2.305 34 N HA 0.137 4.878 4.740 0.001 0.000 0.232 34 N C -0.555 174.626 175.510 -0.549 0.000 1.274 34 N CA 0.191 53.017 53.050 -0.373 0.000 0.870 34 N CB 0.221 38.390 38.487 -0.529 0.000 1.105 34 N HN 0.676 nan 8.380 nan 0.000 0.436 35 R N -0.596 119.389 120.500 -0.858 0.000 2.594 35 R HA 0.370 4.711 4.340 0.001 0.000 0.265 35 R C -1.567 174.252 176.300 -0.801 0.000 1.070 35 R CA -0.919 54.729 56.100 -0.754 0.000 0.909 35 R CB 1.956 31.803 30.300 -0.754 0.000 1.243 35 R HN 0.874 nan 8.270 nan 0.000 0.455 36 S N 1.407 116.775 115.700 -0.555 0.000 2.478 36 S HA 0.483 4.954 4.470 0.001 0.000 0.312 36 S C -0.716 173.633 174.600 -0.418 0.000 1.094 36 S CA -0.867 57.032 58.200 -0.502 0.000 1.081 36 S CB 0.702 63.742 63.200 -0.266 0.000 1.007 36 S HN 0.380 nan 8.310 nan 0.000 0.475 37 Y N 1.567 121.685 120.300 -0.304 0.000 2.359 37 Y HA 0.414 4.964 4.550 0.001 0.000 0.330 37 Y C 1.339 177.155 175.900 -0.140 0.000 1.143 37 Y CA -0.646 57.283 58.100 -0.285 0.000 1.318 37 Y CB 0.503 38.579 38.460 -0.640 0.000 1.234 37 Y HN 0.766 nan 8.280 nan 0.000 0.522 38 S N 1.810 117.601 115.700 0.150 0.000 2.562 38 S HA 0.313 4.784 4.470 0.001 0.000 0.281 38 S C 1.231 175.943 174.600 0.187 0.000 1.333 38 S CA -0.067 58.207 58.200 0.123 0.000 1.052 38 S CB 0.439 63.698 63.200 0.099 0.000 0.884 38 S HN 0.892 nan 8.310 nan 0.000 0.506 39 A N 4.222 127.129 122.820 0.145 0.000 1.842 39 A HA -0.101 4.219 4.320 0.001 0.000 0.217 39 A C 0.994 178.659 177.584 0.135 0.000 1.206 39 A CA 1.558 53.688 52.037 0.155 0.000 0.630 39 A CB -0.659 18.399 19.000 0.096 0.000 0.839 39 A HN 0.842 nan 8.150 nan 0.000 0.447 40 D N 1.043 121.497 120.400 0.091 0.000 2.608 40 D HA 0.334 4.974 4.640 0.001 0.000 0.224 40 D C 0.549 176.897 176.300 0.081 0.000 1.123 40 D CA 0.544 54.585 54.000 0.067 0.000 1.030 40 D CB -0.623 40.204 40.800 0.045 0.000 1.093 40 D HN 0.434 nan 8.370 nan 0.000 0.497 41 G N 1.937 110.807 108.800 0.117 0.000 2.502 41 G HA2 -0.135 3.825 3.960 0.001 0.000 0.280 41 G HA3 -0.135 3.825 3.960 0.001 0.000 0.280 41 G C 0.340 175.293 174.900 0.087 0.000 0.611 41 G CA 0.498 45.681 45.100 0.138 0.000 1.103 41 G HN 0.374 nan 8.290 nan 0.000 0.271 42 K N 0.814 121.267 120.400 0.089 0.000 2.095 42 K HA 0.460 4.780 4.320 0.001 0.000 0.325 42 K C -0.139 176.500 176.600 0.065 0.000 1.786 42 K CA 0.399 56.724 56.287 0.063 0.000 0.936 42 K CB -0.125 32.401 32.500 0.044 0.000 1.390 42 K HN 1.787 nan 8.250 nan 0.000 0.417 43 G N 0.831 109.678 108.800 0.079 0.000 2.453 43 G HA2 0.201 4.161 3.960 0.001 0.000 0.665 43 G HA3 0.201 4.161 3.960 0.001 0.000 0.665 43 G C -0.739 174.211 174.900 0.082 0.000 1.411 43 G CA -0.401 44.739 45.100 0.067 0.000 0.889 43 G HN 0.463 nan 8.290 nan 0.000 0.651 44 T N -1.477 113.109 114.554 0.053 0.000 2.888 44 T HA 0.874 5.225 4.350 0.001 0.000 0.288 44 T C -0.517 174.164 174.700 -0.033 0.000 1.063 44 T CA -0.786 61.324 62.100 0.017 0.000 1.010 44 T CB 2.923 71.798 68.868 0.012 0.000 1.214 44 T HN 0.665 nan 8.240 nan 0.000 0.533 45 E N -0.014 120.131 120.200 -0.090 0.000 2.293 45 E HA 0.661 5.011 4.350 0.001 0.000 0.270 45 E C -1.306 175.202 176.600 -0.154 0.000 0.879 45 E CA -0.951 55.395 56.400 -0.090 0.000 0.756 45 E CB 2.421 32.081 29.700 -0.066 0.000 1.208 45 E HN 0.629 nan 8.360 nan 0.000 0.428 46 S N 0.715 116.337 115.700 -0.129 0.000 2.546 46 S HA 0.400 4.870 4.470 0.001 0.000 0.274 46 S C -1.196 173.335 174.600 -0.114 0.000 1.121 46 S CA -0.922 57.157 58.200 -0.202 0.000 0.887 46 S CB 0.926 64.015 63.200 -0.185 0.000 1.094 46 S HN 0.601 nan 8.310 nan 0.000 0.474 47 H N -0.562 118.475 119.070 -0.055 0.000 2.615 47 H HA 0.741 5.297 4.556 0.001 0.000 0.346 47 H C -3.245 172.070 175.328 -0.021 0.000 1.200 47 H CA -2.675 53.354 56.048 -0.032 0.000 1.264 47 H CB -0.949 28.797 29.762 -0.027 0.000 1.699 47 H HN 0.188 nan 8.280 nan 0.000 0.567 48 P HA 0.060 nan 4.420 nan 0.000 0.265 48 P C -2.446 175.018 177.300 0.274 0.000 1.193 48 P CA -0.729 62.483 63.100 0.187 0.000 0.765 48 P CB -0.042 31.720 31.700 0.104 0.000 0.823 49 P HA 0.033 nan 4.420 nan 0.000 0.269 49 P C -0.306 177.074 177.300 0.133 0.000 1.209 49 P CA 0.429 63.606 63.100 0.128 0.000 0.776 49 P CB 0.834 32.577 31.700 0.072 0.000 0.876 50 E N -0.073 120.218 120.200 0.151 0.000 2.714 50 E HA 0.156 4.506 4.350 0.001 0.000 0.219 50 E C -0.404 176.268 176.600 0.120 0.000 0.979 50 E CA -0.248 56.218 56.400 0.110 0.000 1.092 50 E CB 0.355 30.115 29.700 0.099 0.000 1.049 50 E HN 0.426 nan 8.360 nan 0.000 0.487 51 D N 0.497 120.980 120.400 0.137 0.000 2.388 51 D HA 0.489 5.130 4.640 0.001 0.000 0.254 51 D C -0.281 176.130 176.300 0.186 0.000 1.111 51 D CA -0.138 53.968 54.000 0.177 0.000 0.993 51 D CB 1.598 42.505 40.800 0.178 0.000 1.118 51 D HN -0.102 nan 8.370 nan 0.000 0.502 52 S N -1.098 114.770 115.700 0.280 0.000 2.655 52 S HA 0.710 5.181 4.470 0.001 0.000 0.266 52 S C -1.880 172.984 174.600 0.439 0.000 1.149 52 S CA -0.784 57.533 58.200 0.195 0.000 0.818 52 S CB 0.582 63.816 63.200 0.056 0.000 1.130 52 S HN 0.508 nan 8.310 nan 0.000 0.476 53 W N 0.973 122.458 121.300 0.308 0.000 2.895 53 W HA 0.664 5.324 4.660 0.001 0.000 0.377 53 W C -2.345 174.294 176.519 0.200 0.000 1.191 53 W CA -0.948 56.538 57.345 0.235 0.000 1.179 53 W CB 0.271 29.765 29.460 0.056 0.000 1.469 53 W HN 0.954 nan 8.180 nan 0.000 0.577 54 L N -0.074 121.464 121.223 0.525 0.000 2.612 54 L HA 0.689 5.030 4.340 0.001 0.000 0.256 54 L C -1.316 175.651 176.870 0.162 0.000 0.949 54 L CA -1.345 53.589 54.840 0.158 0.000 0.867 54 L CB 1.941 44.039 42.059 0.065 0.000 1.417 54 L HN 0.454 nan 8.230 nan 0.000 0.414 55 K N 1.459 121.762 120.400 -0.162 0.000 2.705 55 K HA 0.707 5.028 4.320 0.001 0.000 0.238 55 K C -1.874 174.574 176.600 -0.253 0.000 0.996 55 K CA -0.378 55.923 56.287 0.024 0.000 1.007 55 K CB 0.975 33.627 32.500 0.253 0.000 1.206 55 K HN 0.381 nan 8.250 nan 0.000 0.488 56 F N 1.992 121.924 119.950 -0.031 0.000 2.532 56 F HA 0.496 5.023 4.527 0.001 0.000 0.321 56 F C 0.078 175.841 175.800 -0.061 0.000 1.089 56 F CA -0.942 57.048 58.000 -0.018 0.000 0.926 56 F CB 2.121 41.093 39.000 -0.047 0.000 1.168 56 F HN 0.410 nan 8.300 nan 0.000 0.459 57 R N 0.862 121.488 120.500 0.211 0.000 2.393 57 R HA 0.772 5.112 4.340 0.001 0.000 0.315 57 R C -0.989 175.229 176.300 -0.137 0.000 0.952 57 R CA -0.556 55.470 56.100 -0.124 0.000 0.842 57 R CB 1.670 32.002 30.300 0.054 0.000 1.163 57 R HN 0.680 nan 8.270 nan 0.000 0.450 58 S N 1.863 117.411 115.700 -0.253 0.000 2.648 58 S HA 0.355 4.826 4.470 0.001 0.000 0.305 58 S C -0.475 174.020 174.600 -0.175 0.000 1.094 58 S CA -0.899 57.212 58.200 -0.148 0.000 0.983 58 S CB 1.450 64.591 63.200 -0.097 0.000 1.101 58 S HN 0.646 nan 8.310 nan 0.000 0.514 59 E N 1.425 121.567 120.200 -0.096 0.000 2.721 59 E HA -0.049 4.302 4.350 0.001 0.000 0.284 59 E C 0.184 176.736 176.600 -0.080 0.000 1.053 59 E CA 1.157 57.515 56.400 -0.071 0.000 1.015 59 E CB -0.385 29.289 29.700 -0.042 0.000 1.051 59 E HN 0.711 nan 8.360 nan 0.000 0.465 60 N N 1.449 120.124 118.700 -0.042 0.000 2.701 60 N HA -0.261 4.479 4.740 0.001 0.000 0.252 60 N C -1.266 174.230 175.510 -0.022 0.000 1.002 60 N CA 1.090 54.129 53.050 -0.019 0.000 0.758 60 N CB -1.490 36.987 38.487 -0.017 0.000 0.937 60 N HN 0.531 nan 8.380 nan 0.000 0.538 61 N N -1.725 116.936 118.700 -0.066 0.000 2.637 61 N HA -0.207 4.533 4.740 0.001 0.000 0.287 61 N C -0.403 175.055 175.510 -0.087 0.000 1.130 61 N CA 1.276 54.258 53.050 -0.113 0.000 0.764 61 N CB -1.170 37.423 38.487 0.177 0.000 0.935 61 N HN 0.706 nan 8.380 nan 0.000 0.558 62 C N -0.094 119.016 119.300 -0.317 0.000 2.498 62 C HA 0.882 5.342 4.460 0.001 0.000 0.316 62 C C -0.457 174.306 174.990 -0.379 0.000 1.209 62 C CA -1.298 57.663 59.018 -0.094 0.000 1.518 62 C CB 0.657 28.380 27.740 -0.028 0.000 2.147 62 C HN 0.298 nan 8.230 nan 0.000 0.483 63 F N 2.320 122.324 119.950 0.090 0.000 2.561 63 F HA 0.804 5.331 4.527 0.001 0.000 0.321 63 F C -0.286 175.419 175.800 -0.158 0.000 1.065 63 F CA -1.068 56.900 58.000 -0.054 0.000 0.934 63 F CB 1.883 40.876 39.000 -0.013 0.000 1.215 63 F HN 0.616 nan 8.300 nan 0.000 0.471 64 L N 3.082 124.178 121.223 -0.213 0.000 2.376 64 L HA 0.620 4.960 4.340 0.001 0.000 0.275 64 L C -1.919 174.712 176.870 -0.399 0.000 0.987 64 L CA -0.764 53.995 54.840 -0.135 0.000 0.828 64 L CB 0.919 43.036 42.059 0.096 0.000 1.249 64 L HN 0.471 nan 8.230 nan 0.000 0.409 65 Y N 2.905 123.351 120.300 0.244 0.000 2.477 65 Y HA 0.871 5.421 4.550 0.001 0.000 0.347 65 Y C 0.512 176.495 175.900 0.138 0.000 0.981 65 Y CA -0.780 57.421 58.100 0.169 0.000 1.033 65 Y CB 2.651 41.181 38.460 0.116 0.000 1.245 65 Y HN 0.693 nan 8.280 nan 0.000 0.455 66 G N 0.529 109.463 108.800 0.223 0.000 2.720 66 G HA2 0.597 4.557 3.960 0.001 0.000 0.295 66 G HA3 0.597 4.557 3.960 0.001 0.000 0.295 66 G C -2.349 172.343 174.900 -0.346 0.000 1.437 66 G CA -0.769 44.271 45.100 -0.101 0.000 0.886 66 G HN 0.459 nan 8.290 nan 0.000 0.509 67 V N 0.955 120.499 119.914 -0.617 0.000 2.638 67 V HA 0.695 4.815 4.120 0.001 0.000 0.306 67 V C -1.186 174.508 176.094 -0.667 0.000 1.052 67 V CA -0.644 61.415 62.300 -0.403 0.000 0.885 67 V CB 1.386 33.154 31.823 -0.092 0.000 0.999 67 V HN 0.599 nan 8.190 nan 0.000 0.424 68 F N 2.666 122.716 119.950 0.166 0.000 2.532 68 F HA 0.503 5.030 4.527 0.001 0.000 0.321 68 F C 0.247 176.116 175.800 0.115 0.000 1.089 68 F CA -0.681 57.397 58.000 0.130 0.000 0.926 68 F CB 1.702 40.757 39.000 0.091 0.000 1.168 68 F HN 0.458 nan 8.300 nan 0.000 0.459 69 N N 1.304 120.164 118.700 0.268 0.000 2.479 69 N HA 0.559 5.300 4.740 0.001 0.000 0.261 69 N C -0.507 175.133 175.510 0.217 0.000 0.979 69 N CA -0.230 52.938 53.050 0.196 0.000 0.930 69 N CB 1.170 39.737 38.487 0.134 0.000 1.172 69 N HN 0.862 nan 8.380 nan 0.000 0.499 70 G N 1.559 110.467 108.800 0.181 0.000 2.521 70 G HA2 0.547 4.507 3.960 0.001 0.000 0.323 70 G HA3 0.547 4.507 3.960 0.001 0.000 0.323 70 G C -1.509 173.515 174.900 0.206 0.000 1.211 70 G CA -0.364 44.819 45.100 0.137 0.000 0.979 70 G HN 0.652 nan 8.290 nan 0.000 0.490 71 Y N -3.207 117.081 120.300 -0.020 0.000 2.592 71 Y HA 0.534 5.084 4.550 0.001 0.000 0.334 71 Y C -0.542 175.322 175.900 -0.059 0.000 1.136 71 Y CA -1.638 56.435 58.100 -0.045 0.000 1.042 71 Y CB 1.297 39.736 38.460 -0.035 0.000 1.325 71 Y HN 0.567 nan 8.280 nan 0.000 0.457 72 D N 1.038 121.403 120.400 -0.059 0.000 2.739 72 D HA 0.156 4.797 4.640 0.001 0.000 0.240 72 D C 0.339 176.563 176.300 -0.127 0.000 1.114 72 D CA 2.283 56.217 54.000 -0.110 0.000 0.695 72 D CB -1.168 39.532 40.800 -0.168 0.000 1.078 72 D HN 1.735 nan 8.370 nan 0.000 0.434 73 G N 0.358 109.091 108.800 -0.112 0.000 2.661 73 G HA2 -0.059 3.901 3.960 0.001 0.000 0.685 73 G HA3 -0.059 3.901 3.960 0.001 0.000 0.685 73 G C 0.217 175.072 174.900 -0.075 0.000 1.298 73 G CA -0.067 44.986 45.100 -0.078 0.000 0.855 73 G HN 0.510 nan 8.290 nan 0.000 0.560 74 N N -0.739 117.936 118.700 -0.042 0.000 2.235 74 N HA 0.063 4.804 4.740 0.001 0.000 0.231 74 N C 1.480 176.964 175.510 -0.043 0.000 1.177 74 N CA 0.032 53.060 53.050 -0.036 0.000 0.874 74 N CB 0.218 38.702 38.487 -0.006 0.000 1.097 74 N HN 0.672 nan 8.380 nan 0.000 0.518 75 R N -0.013 120.464 120.500 -0.039 0.000 2.075 75 R HA 0.064 4.404 4.340 0.001 0.000 0.232 75 R C 1.550 177.838 176.300 -0.021 0.000 1.126 75 R CA 1.176 57.276 56.100 -0.000 0.000 0.963 75 R CB -0.200 30.122 30.300 0.037 0.000 0.858 75 R HN 0.033 nan 8.270 nan 0.000 0.435 76 V N 0.810 120.633 119.914 -0.151 0.000 2.358 76 V HA -0.231 3.889 4.120 0.001 0.000 0.246 76 V C 2.731 178.715 176.094 -0.184 0.000 1.047 76 V CA 2.228 64.342 62.300 -0.310 0.000 1.035 76 V CB -0.643 30.824 31.823 -0.593 0.000 0.658 76 V HN 0.510 nan 8.190 nan 0.000 0.452 77 T N -0.020 114.449 114.554 -0.142 0.000 2.746 77 T HA -0.237 4.113 4.350 0.001 0.000 0.267 77 T C 1.768 176.328 174.700 -0.234 0.000 1.039 77 T CA 2.062 64.075 62.100 -0.145 0.000 1.142 77 T CB -0.421 68.434 68.868 -0.020 0.000 0.866 77 T HN 0.468 nan 8.240 nan 0.000 0.444 78 N N 0.331 118.948 118.700 -0.137 0.000 2.142 78 N HA -0.001 4.740 4.740 0.001 0.000 0.186 78 N C 1.507 176.950 175.510 -0.111 0.000 1.023 78 N CA 1.124 54.088 53.050 -0.143 0.000 0.852 78 N CB -0.734 37.708 38.487 -0.075 0.000 0.998 78 N HN 0.512 nan 8.380 nan 0.000 0.424 79 F N 2.063 121.916 119.950 -0.162 0.000 2.095 79 F HA -0.167 4.361 4.527 0.001 0.000 0.298 79 F C 2.161 177.862 175.800 -0.165 0.000 1.104 79 F CA 1.008 58.948 58.000 -0.099 0.000 1.232 79 F CB -0.350 38.639 39.000 -0.018 0.000 0.987 79 F HN -0.232 nan 8.300 nan 0.000 0.475 80 V N 0.537 120.458 119.914 0.011 0.000 2.295 80 V HA -0.314 3.807 4.120 0.001 0.000 0.246 80 V C 2.759 178.599 176.094 -0.423 0.000 1.049 80 V CA 1.833 64.027 62.300 -0.177 0.000 1.024 80 V CB -1.626 30.046 31.823 -0.250 0.000 0.648 80 V HN 0.491 nan 8.190 nan 0.000 0.447 81 A N -0.821 121.600 122.820 -0.664 0.000 1.883 81 A HA -0.279 4.042 4.320 0.001 0.000 0.217 81 A C 2.205 179.630 177.584 -0.266 0.000 1.186 81 A CA 1.900 53.574 52.037 -0.605 0.000 0.624 81 A CB -0.539 18.132 19.000 -0.549 0.000 0.822 81 A HN 0.546 nan 8.150 nan 0.000 0.444 82 Q N -1.088 118.557 119.800 -0.258 0.000 2.050 82 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 82 Q C 2.316 178.248 176.000 -0.114 0.000 0.980 82 Q CA 1.898 57.588 55.803 -0.187 0.000 0.840 82 Q CB -0.365 28.251 28.738 -0.204 0.000 0.898 82 Q HN 0.571 nan 8.270 nan 0.000 0.424 83 R N 0.522 120.872 120.500 -0.250 0.000 2.090 83 R HA -0.042 4.299 4.340 0.001 0.000 0.228 83 R C 2.068 178.318 176.300 -0.084 0.000 1.110 83 R CA 0.557 56.535 56.100 -0.203 0.000 0.973 83 R CB -0.705 29.369 30.300 -0.377 0.000 0.869 83 R HN 0.133 nan 8.270 nan 0.000 0.440 84 L N 0.250 121.406 121.223 -0.111 0.000 2.042 84 L HA -0.087 4.253 4.340 0.001 0.000 0.210 84 L C 2.001 178.885 176.870 0.024 0.000 1.076 84 L CA 1.803 56.591 54.840 -0.087 0.000 0.749 84 L CB -0.964 41.028 42.059 -0.113 0.000 0.893 84 L HN 0.152 nan 8.230 nan 0.000 0.432 85 S N -0.627 115.110 115.700 0.061 0.000 2.356 85 S HA -0.188 4.283 4.470 0.001 0.000 0.223 85 S C 2.082 176.847 174.600 0.275 0.000 1.032 85 S CA 1.169 59.442 58.200 0.122 0.000 1.005 85 S CB -0.477 62.707 63.200 -0.026 0.000 0.867 85 S HN 0.583 nan 8.310 nan 0.000 0.449 86 A N 1.319 124.353 122.820 0.357 0.000 1.972 86 A HA -0.084 4.237 4.320 0.001 0.000 0.219 86 A C 1.821 179.416 177.584 0.018 0.000 1.169 86 A CA 1.166 53.322 52.037 0.197 0.000 0.635 86 A CB -0.254 18.773 19.000 0.045 0.000 0.810 86 A HN 0.320 nan 8.150 nan 0.000 0.446 87 E N -1.012 119.206 120.200 0.030 0.000 2.479 87 E HA 0.215 4.566 4.350 0.001 0.000 0.193 87 E C 1.037 177.658 176.600 0.035 0.000 1.049 87 E CA 0.313 56.719 56.400 0.010 0.000 0.870 87 E CB 0.320 30.023 29.700 0.005 0.000 0.944 87 E HN 0.680 nan 8.360 nan 0.000 0.492 88 L N -1.092 120.167 121.223 0.059 0.000 3.017 88 L HA 0.205 4.546 4.340 0.001 0.000 0.265 88 L C 1.383 178.291 176.870 0.064 0.000 1.128 88 L CA 0.179 55.061 54.840 0.070 0.000 0.984 88 L CB 0.581 42.696 42.059 0.093 0.000 1.464 88 L HN -0.028 nan 8.230 nan 0.000 0.556 89 L N 0.428 121.697 121.223 0.077 0.000 2.769 89 L HA 0.241 4.581 4.340 0.001 0.000 0.240 89 L C 0.691 177.589 176.870 0.048 0.000 1.163 89 L CA 0.176 55.052 54.840 0.060 0.000 0.962 89 L CB 0.494 42.580 42.059 0.046 0.000 1.258 89 L HN 0.209 nan 8.230 nan 0.000 0.513 90 L N -0.036 121.193 121.223 0.009 0.000 3.094 90 L HA 0.413 4.754 4.340 0.001 0.000 0.254 90 L C 1.166 178.013 176.870 -0.038 0.000 1.298 90 L CA 0.143 54.953 54.840 -0.050 0.000 1.050 90 L CB 0.388 42.355 42.059 -0.154 0.000 1.420 90 L HN 0.336 nan 8.230 nan 0.000 0.548 91 G N -0.600 108.194 108.800 -0.011 0.000 2.238 91 G HA2 -0.302 3.659 3.960 0.001 0.000 0.217 91 G HA3 -0.302 3.659 3.960 0.001 0.000 0.217 91 G C 0.819 175.739 174.900 0.034 0.000 0.996 91 G CA 0.080 45.180 45.100 -0.000 0.000 0.632 91 G HN 0.373 nan 8.290 nan 0.000 0.503 92 Q N 0.125 119.948 119.800 0.037 0.000 2.308 92 Q HA 0.240 4.580 4.340 0.001 0.000 0.209 92 Q C 1.305 177.395 176.000 0.149 0.000 0.985 92 Q CA 1.012 56.857 55.803 0.071 0.000 0.881 92 Q CB -0.030 28.736 28.738 0.046 0.000 0.917 92 Q HN 0.675 nan 8.270 nan 0.000 0.443 93 L N 0.692 121.977 121.223 0.103 0.000 2.333 93 L HA 0.516 4.856 4.340 0.001 0.000 0.269 93 L C -0.874 175.967 176.870 -0.049 0.000 1.010 93 L CA -1.125 53.767 54.840 0.088 0.000 0.818 93 L CB 1.878 43.972 42.059 0.058 0.000 1.306 93 L HN 0.176 nan 8.230 nan 0.000 0.430 94 N N 0.265 118.837 118.700 -0.213 0.000 3.126 94 N HA 0.300 5.040 4.740 0.001 0.000 0.233 94 N C -1.198 174.128 175.510 -0.308 0.000 1.069 94 N CA -0.627 52.270 53.050 -0.255 0.000 1.071 94 N CB 1.173 39.498 38.487 -0.270 0.000 1.683 94 N HN 0.603 nan 8.380 nan 0.000 0.586 95 A N 1.394 124.141 122.820 -0.122 0.000 2.655 95 A HA 0.442 4.763 4.320 0.001 0.000 0.297 95 A C 0.306 177.854 177.584 -0.060 0.000 1.461 95 A CA 0.242 52.255 52.037 -0.041 0.000 1.146 95 A CB -0.781 18.242 19.000 0.038 0.000 1.108 95 A HN 0.836 nan 8.150 nan 0.000 0.550 96 E N -0.150 119.997 120.200 -0.088 0.000 1.898 96 E HA -0.030 4.321 4.350 0.001 0.000 0.203 96 E C 0.945 177.578 176.600 0.056 0.000 1.004 96 E CA 0.018 56.400 56.400 -0.030 0.000 1.292 96 E CB -0.213 29.444 29.700 -0.070 0.000 3.886 96 E HN 0.872 nan 8.360 nan 0.000 0.918 97 H N 1.659 120.747 119.070 0.030 0.000 2.319 97 H HA 0.089 4.645 4.556 0.001 0.000 0.299 97 H C 0.652 175.997 175.328 0.029 0.000 1.092 97 H CA 0.889 56.947 56.048 0.017 0.000 1.302 97 H CB 0.110 29.866 29.762 -0.010 0.000 1.373 97 H HN 0.219 nan 8.280 nan 0.000 0.497 98 A N 0.475 123.407 122.820 0.187 0.000 2.435 98 A HA -0.234 4.087 4.320 0.001 0.000 0.686 98 A C 1.028 178.698 177.584 0.143 0.000 0.138 98 A CA 0.652 52.786 52.037 0.161 0.000 0.024 98 A CB -1.276 17.795 19.000 0.118 0.000 3.974 98 A HN 0.675 nan 8.150 nan 0.000 0.548 99 E N 1.091 121.421 120.200 0.217 0.000 2.485 99 E HA -0.380 3.970 4.350 0.001 0.000 0.251 99 E C 2.152 178.801 176.600 0.081 0.000 1.042 99 E CA 3.811 60.349 56.400 0.231 0.000 1.158 99 E CB -0.530 29.316 29.700 0.243 0.000 1.065 99 E HN 2.123 nan 8.360 nan 0.000 0.502 100 A N 0.493 123.353 122.820 0.066 0.000 1.915 100 A HA -0.348 3.973 4.320 0.001 0.000 0.220 100 A C 1.830 179.405 177.584 -0.016 0.000 1.198 100 A CA 2.706 54.758 52.037 0.025 0.000 0.647 100 A CB -1.033 17.981 19.000 0.023 0.000 0.825 100 A HN 0.562 nan 8.150 nan 0.000 0.456 101 D N -0.805 119.577 120.400 -0.030 0.000 2.084 101 D HA -0.054 4.587 4.640 0.001 0.000 0.196 101 D C 1.945 178.171 176.300 -0.123 0.000 0.985 101 D CA 1.350 55.284 54.000 -0.109 0.000 0.826 101 D CB -0.405 40.299 40.800 -0.161 0.000 0.978 101 D HN 0.193 nan 8.370 nan 0.000 0.456 102 V N 0.905 120.754 119.914 -0.109 0.000 2.332 102 V HA -0.275 3.845 4.120 0.001 0.000 0.248 102 V C 2.289 178.282 176.094 -0.168 0.000 1.055 102 V CA 1.746 63.925 62.300 -0.201 0.000 1.038 102 V CB -0.478 31.005 31.823 -0.567 0.000 0.651 102 V HN 0.161 nan 8.190 nan 0.000 0.450 103 R N -0.347 120.081 120.500 -0.119 0.000 2.073 103 R HA -0.180 4.160 4.340 0.001 0.000 0.234 103 R C 2.531 178.815 176.300 -0.026 0.000 1.134 103 R CA 1.797 57.870 56.100 -0.045 0.000 0.952 103 R CB -0.488 29.809 30.300 -0.004 0.000 0.850 103 R HN 0.446 nan 8.270 nan 0.000 0.433 104 R N 0.912 121.390 120.500 -0.037 0.000 2.097 104 R HA -0.182 4.158 4.340 0.001 0.000 0.236 104 R C 2.132 178.427 176.300 -0.010 0.000 1.135 104 R CA 2.094 58.177 56.100 -0.028 0.000 0.934 104 R CB -0.523 29.744 30.300 -0.055 0.000 0.846 104 R HN 0.074 nan 8.270 nan 0.000 0.431 105 V N 1.461 121.357 119.914 -0.029 0.000 2.380 105 V HA -0.283 3.837 4.120 0.001 0.000 0.251 105 V C 2.421 178.560 176.094 0.074 0.000 1.063 105 V CA 1.917 64.221 62.300 0.006 0.000 1.055 105 V CB -0.407 31.413 31.823 -0.006 0.000 0.657 105 V HN 0.369 nan 8.190 nan 0.000 0.455 106 L N -1.362 119.913 121.223 0.087 0.000 2.056 106 L HA -0.155 4.186 4.340 0.001 0.000 0.207 106 L C 2.389 179.419 176.870 0.268 0.000 1.078 106 L CA 1.136 56.097 54.840 0.202 0.000 0.749 106 L CB -0.466 41.683 42.059 0.150 0.000 0.901 106 L HN 0.306 nan 8.230 nan 0.000 0.433 107 L N -0.415 120.884 121.223 0.126 0.000 2.083 107 L HA -0.235 4.106 4.340 0.001 0.000 0.209 107 L C 2.583 179.545 176.870 0.152 0.000 1.083 107 L CA 1.751 56.654 54.840 0.105 0.000 0.752 107 L CB -0.409 41.671 42.059 0.034 0.000 0.899 107 L HN 0.267 nan 8.230 nan 0.000 0.433 108 Q N -1.371 118.500 119.800 0.118 0.000 2.083 108 Q HA -0.099 4.242 4.340 0.001 0.000 0.198 108 Q C 2.284 178.361 176.000 0.129 0.000 0.969 108 Q CA 1.294 57.157 55.803 0.100 0.000 0.838 108 Q CB -0.334 28.437 28.738 0.055 0.000 0.900 108 Q HN 0.621 nan 8.270 nan 0.000 0.436 109 A N 0.453 123.363 122.820 0.150 0.000 1.933 109 A HA -0.165 4.156 4.320 0.001 0.000 0.218 109 A C 1.721 179.367 177.584 0.104 0.000 1.175 109 A CA 1.161 53.262 52.037 0.107 0.000 0.628 109 A CB -0.636 18.419 19.000 0.092 0.000 0.814 109 A HN 0.282 nan 8.150 nan 0.000 0.444 110 F N -0.137 119.866 119.950 0.088 0.000 2.259 110 F HA -0.058 4.470 4.527 0.001 0.000 0.298 110 F C 2.051 177.909 175.800 0.096 0.000 1.088 110 F CA 1.461 59.523 58.000 0.102 0.000 1.358 110 F CB -0.336 38.723 39.000 0.098 0.000 1.040 110 F HN 0.363 nan 8.300 nan 0.000 0.505 111 D N -0.063 120.485 120.400 0.247 0.000 2.117 111 D HA -0.142 4.498 4.640 0.001 0.000 0.198 111 D C 2.151 178.535 176.300 0.140 0.000 0.982 111 D CA 1.177 55.277 54.000 0.166 0.000 0.828 111 D CB -0.060 40.813 40.800 0.121 0.000 0.967 111 D HN 0.045 nan 8.370 nan 0.000 0.464 112 V N -0.144 119.843 119.914 0.122 0.000 2.427 112 V HA -0.182 3.939 4.120 0.001 0.000 0.248 112 V C 2.581 178.766 176.094 0.152 0.000 1.051 112 V CA 1.135 63.500 62.300 0.109 0.000 1.048 112 V CB -0.284 31.583 31.823 0.074 0.000 0.666 112 V HN 0.165 nan 8.190 nan 0.000 0.456 113 V N 0.190 120.190 119.914 0.143 0.000 2.295 113 V HA -0.277 3.843 4.120 0.001 0.000 0.246 113 V C 2.552 178.824 176.094 0.296 0.000 1.049 113 V CA 2.393 64.826 62.300 0.222 0.000 1.024 113 V CB -0.539 31.326 31.823 0.071 0.000 0.648 113 V HN 0.646 nan 8.190 nan 0.000 0.447 114 E N 0.491 120.817 120.200 0.211 0.000 2.047 114 E HA -0.199 4.151 4.350 0.001 0.000 0.191 114 E C 2.328 179.041 176.600 0.188 0.000 0.987 114 E CA 1.534 58.052 56.400 0.197 0.000 0.799 114 E CB -0.252 29.546 29.700 0.162 0.000 0.752 114 E HN 0.463 nan 8.360 nan 0.000 0.449 115 R N -0.010 120.582 120.500 0.154 0.000 2.073 115 R HA -0.095 4.245 4.340 0.001 0.000 0.234 115 R C 2.673 179.036 176.300 0.105 0.000 1.134 115 R CA 1.713 57.882 56.100 0.116 0.000 0.952 115 R CB -0.484 29.875 30.300 0.099 0.000 0.850 115 R HN 0.343 nan 8.270 nan 0.000 0.433 116 S N 0.175 115.975 115.700 0.166 0.000 2.447 116 S HA -0.139 4.332 4.470 0.001 0.000 0.233 116 S C 1.770 176.456 174.600 0.144 0.000 1.006 116 S CA 0.751 59.068 58.200 0.195 0.000 0.957 116 S CB -0.369 63.001 63.200 0.282 0.000 0.773 116 S HN 0.345 nan 8.310 nan 0.000 0.507 117 F N 2.594 122.499 119.950 -0.075 0.000 2.128 117 F HA 0.197 4.725 4.527 0.001 0.000 0.295 117 F C 1.835 177.456 175.800 -0.299 0.000 1.100 117 F CA 0.872 58.515 58.000 -0.595 0.000 1.260 117 F CB -0.481 38.105 39.000 -0.689 0.000 1.009 117 F HN 0.128 nan 8.300 nan 0.000 0.476 118 L N 0.141 121.137 121.223 -0.378 0.000 2.046 118 L HA -0.186 4.155 4.340 0.001 0.000 0.208 118 L C 2.606 179.333 176.870 -0.239 0.000 1.077 118 L CA 1.629 56.280 54.840 -0.315 0.000 0.747 118 L CB -0.903 41.154 42.059 -0.004 0.000 0.896 118 L HN 0.188 nan 8.230 nan 0.000 0.432 119 E N 0.533 120.647 120.200 -0.144 0.000 2.110 119 E HA -0.223 4.127 4.350 0.001 0.000 0.193 119 E C 2.264 178.775 176.600 -0.148 0.000 0.988 119 E CA 1.654 58.000 56.400 -0.089 0.000 0.804 119 E CB 0.016 29.702 29.700 -0.023 0.000 0.745 119 E HN 0.490 nan 8.360 nan 0.000 0.458 120 S N 0.375 115.932 115.700 -0.240 0.000 2.469 120 S HA -0.123 4.348 4.470 0.001 0.000 0.238 120 S C 1.989 176.427 174.600 -0.271 0.000 0.998 120 S CA 1.103 59.172 58.200 -0.218 0.000 0.957 120 S CB -0.663 62.418 63.200 -0.197 0.000 0.764 120 S HN 0.462 nan 8.310 nan 0.000 0.514 121 I N -3.121 117.224 120.570 -0.375 0.000 4.082 121 I HA 0.374 4.545 4.170 0.001 0.000 0.337 121 I C 1.287 177.294 176.117 -0.184 0.000 1.352 121 I CA -0.193 60.930 61.300 -0.295 0.000 1.097 121 I CB 0.014 37.773 38.000 -0.401 0.000 1.048 121 I HN -0.112 nan 8.210 nan 0.000 0.393 122 D N 2.794 123.108 120.400 -0.144 0.000 2.116 122 D HA -0.212 4.428 4.640 0.001 0.000 0.193 122 D C 1.431 177.671 176.300 -0.101 0.000 0.998 122 D CA 1.942 55.881 54.000 -0.102 0.000 0.836 122 D CB 0.050 40.801 40.800 -0.081 0.000 0.951 122 D HN 0.415 nan 8.370 nan 0.000 0.449 123 D N 0.228 120.573 120.400 -0.091 0.000 2.097 123 D HA -0.108 4.532 4.640 0.001 0.000 0.195 123 D C 1.993 178.243 176.300 -0.084 0.000 0.989 123 D CA 1.359 55.313 54.000 -0.077 0.000 0.827 123 D CB -0.454 40.309 40.800 -0.062 0.000 0.966 123 D HN 0.164 nan 8.370 nan 0.000 0.456 124 A N 0.500 123.261 122.820 -0.097 0.000 1.940 124 A HA -0.134 4.186 4.320 0.001 0.000 0.219 124 A C 2.378 179.887 177.584 -0.125 0.000 1.176 124 A CA 0.939 52.914 52.037 -0.103 0.000 0.631 124 A CB -0.786 18.146 19.000 -0.113 0.000 0.814 124 A HN 0.215 nan 8.150 nan 0.000 0.446 125 L N -0.933 120.202 121.223 -0.147 0.000 2.046 125 L HA -0.207 4.133 4.340 0.001 0.000 0.208 125 L C 3.107 179.906 176.870 -0.119 0.000 1.077 125 L CA 1.134 55.877 54.840 -0.163 0.000 0.747 125 L CB -0.454 41.512 42.059 -0.154 0.000 0.896 125 L HN 0.447 nan 8.230 nan 0.000 0.432 126 A N -0.521 122.239 122.820 -0.101 0.000 1.898 126 A HA -0.255 4.066 4.320 0.001 0.000 0.216 126 A C 2.248 179.793 177.584 -0.065 0.000 1.181 126 A CA 1.777 53.766 52.037 -0.080 0.000 0.620 126 A CB -0.492 18.464 19.000 -0.073 0.000 0.819 126 A HN 0.476 nan 8.150 nan 0.000 0.442 127 E N -0.105 120.056 120.200 -0.065 0.000 2.150 127 E HA -0.224 4.127 4.350 0.001 0.000 0.193 127 E C 2.040 178.610 176.600 -0.049 0.000 0.985 127 E CA 1.385 57.755 56.400 -0.050 0.000 0.814 127 E CB -0.114 29.557 29.700 -0.048 0.000 0.752 127 E HN 0.639 nan 8.360 nan 0.000 0.466 128 K N 0.201 120.562 120.400 -0.066 0.000 2.026 128 K HA -0.139 4.182 4.320 0.001 0.000 0.208 128 K C 2.073 178.646 176.600 -0.047 0.000 1.048 128 K CA 1.185 57.436 56.287 -0.061 0.000 0.929 128 K CB -0.203 32.241 32.500 -0.093 0.000 0.713 128 K HN 0.138 nan 8.250 nan 0.000 0.439 129 A N 0.681 123.469 122.820 -0.053 0.000 1.908 129 A HA -0.191 4.129 4.320 0.001 0.000 0.218 129 A C 2.196 179.760 177.584 -0.032 0.000 1.181 129 A CA 2.264 54.276 52.037 -0.042 0.000 0.627 129 A CB -0.995 17.975 19.000 -0.050 0.000 0.818 129 A HN 0.502 nan 8.150 nan 0.000 0.445 130 S N -0.701 114.980 115.700 -0.032 0.000 2.399 130 S HA -0.073 4.398 4.470 0.001 0.000 0.231 130 S C 1.908 176.501 174.600 -0.013 0.000 1.022 130 S CA 1.404 59.591 58.200 -0.023 0.000 0.983 130 S CB -0.454 62.731 63.200 -0.024 0.000 0.803 130 S HN 0.482 nan 8.310 nan 0.000 0.480 131 L N 0.655 121.870 121.223 -0.013 0.000 2.095 131 L HA -0.014 4.327 4.340 0.001 0.000 0.204 131 L C 2.908 179.777 176.870 -0.002 0.000 1.080 131 L CA 1.070 55.910 54.840 -0.001 0.000 0.759 131 L CB -0.518 41.540 42.059 -0.002 0.000 0.914 131 L HN 0.376 nan 8.230 nan 0.000 0.439 132 Q N -0.785 119.007 119.800 -0.014 0.000 2.170 132 Q HA -0.213 4.127 4.340 0.001 0.000 0.203 132 Q C 2.393 178.379 176.000 -0.023 0.000 0.976 132 Q CA 1.686 57.476 55.803 -0.021 0.000 0.858 132 Q CB -0.195 28.531 28.738 -0.020 0.000 0.907 132 Q HN 0.382 nan 8.270 nan 0.000 0.433 133 S N 0.611 116.301 115.700 -0.017 0.000 2.419 133 S HA -0.177 4.294 4.470 0.001 0.000 0.233 133 S C 1.643 176.240 174.600 -0.005 0.000 1.016 133 S CA 1.177 59.368 58.200 -0.015 0.000 0.974 133 S CB 0.046 63.239 63.200 -0.012 0.000 0.786 133 S HN 0.369 nan 8.310 nan 0.000 0.492 134 Q N -0.453 119.352 119.800 0.009 0.000 2.403 134 Q HA 0.275 4.616 4.340 0.001 0.000 0.203 134 Q C -0.617 175.405 176.000 0.036 0.000 0.932 134 Q CA -0.036 55.793 55.803 0.044 0.000 0.945 134 Q CB 0.263 29.043 28.738 0.070 0.000 1.045 134 Q HN 0.372 nan 8.270 nan 0.000 0.511 135 L N 2.086 123.283 121.223 -0.042 0.000 2.307 135 L HA 0.386 4.727 4.340 0.001 0.000 0.284 135 L C -2.397 174.349 176.870 -0.205 0.000 1.023 135 L CA -2.368 52.373 54.840 -0.166 0.000 0.810 135 L CB 1.079 43.067 42.059 -0.119 0.000 1.231 135 L HN -0.130 nan 8.230 nan 0.000 0.423 136 P HA 0.080 nan 4.420 nan 0.000 0.271 136 P C -0.666 176.533 177.300 -0.168 0.000 1.226 136 P CA -0.153 62.813 63.100 -0.222 0.000 0.765 136 P CB 0.695 32.237 31.700 -0.263 0.000 0.835 137 E N 1.618 121.754 120.200 -0.107 0.000 2.374 137 E HA 0.300 4.651 4.350 0.001 0.000 0.260 137 E C 0.910 177.466 176.600 -0.074 0.000 1.101 137 E CA 0.009 56.360 56.400 -0.081 0.000 0.907 137 E CB 0.108 29.775 29.700 -0.055 0.000 1.014 137 E HN 0.739 nan 8.360 nan 0.000 0.427 138 G N 1.670 110.432 108.800 -0.063 0.000 2.249 138 G HA2 -0.227 3.733 3.960 0.001 0.000 0.273 138 G HA3 -0.227 3.733 3.960 0.001 0.000 0.273 138 G C -0.281 174.577 174.900 -0.069 0.000 1.036 138 G CA 0.366 45.432 45.100 -0.056 0.000 0.824 138 G HN 0.332 nan 8.290 nan 0.000 0.504 139 V N 0.582 120.442 119.914 -0.090 0.000 2.448 139 V HA 0.501 4.621 4.120 0.001 0.000 0.295 139 V C -1.254 174.765 176.094 -0.127 0.000 1.025 139 V CA -1.703 60.533 62.300 -0.106 0.000 0.859 139 V CB 1.689 33.438 31.823 -0.124 0.000 0.988 139 V HN 0.182 nan 8.190 nan 0.000 0.431 140 P HA -0.169 nan 4.420 nan 0.000 0.273 140 P C 0.411 177.569 177.300 -0.237 0.000 1.159 140 P CA 0.483 63.410 63.100 -0.289 0.000 0.756 140 P CB 0.422 31.830 31.700 -0.487 0.000 0.753 141 Q N 1.620 121.290 119.800 -0.217 0.000 2.014 141 Q HA -0.166 4.175 4.340 0.001 0.000 0.207 141 Q C 1.236 177.202 176.000 -0.057 0.000 0.993 141 Q CA 2.023 57.779 55.803 -0.080 0.000 0.850 141 Q CB -1.205 27.530 28.738 -0.004 0.000 0.916 141 Q HN 0.807 nan 8.270 nan 0.000 0.417 142 H N -1.425 117.653 119.070 0.014 0.000 2.560 142 H HA 0.300 4.856 4.556 0.001 0.000 0.266 142 H C -0.053 175.288 175.328 0.022 0.000 1.585 142 H CA -0.553 55.507 56.048 0.020 0.000 1.570 142 H CB -0.045 29.728 29.762 0.018 0.000 1.687 142 H HN -0.160 nan 8.280 nan 0.000 0.837 143 Q N -0.644 119.350 119.800 0.325 0.000 2.385 143 Q HA -0.159 4.181 4.340 0.001 0.000 0.311 143 Q C -1.092 174.950 176.000 0.070 0.000 1.259 143 Q CA 0.738 56.668 55.803 0.211 0.000 0.921 143 Q CB -1.714 27.184 28.738 0.266 0.000 1.209 143 Q HN 0.570 nan 8.270 nan 0.000 0.473 144 L N 0.721 121.993 121.223 0.082 0.000 2.319 144 L HA 0.371 4.711 4.340 0.001 0.000 0.281 144 L C -1.963 175.016 176.870 0.183 0.000 1.005 144 L CA -1.969 52.928 54.840 0.096 0.000 0.828 144 L CB 1.655 43.746 42.059 0.054 0.000 1.227 144 L HN -0.109 nan 8.230 nan 0.000 0.415 145 P HA -0.118 nan 4.420 nan 0.000 0.264 145 P C -1.933 175.439 177.300 0.120 0.000 1.156 145 P CA -0.551 62.646 63.100 0.161 0.000 0.756 145 P CB 0.042 31.838 31.700 0.159 0.000 0.764 146 P HA -0.200 nan 4.420 nan 0.000 0.226 146 P C 0.994 178.284 177.300 -0.017 0.000 1.146 146 P CA 1.346 64.464 63.100 0.031 0.000 0.773 146 P CB 0.172 31.881 31.700 0.016 0.000 0.772 147 Q N -1.106 118.637 119.800 -0.096 0.000 2.224 147 Q HA -0.120 4.221 4.340 0.001 0.000 0.203 147 Q C 1.600 177.438 176.000 -0.270 0.000 0.970 147 Q CA 1.449 57.114 55.803 -0.229 0.000 0.865 147 Q CB -0.997 27.508 28.738 -0.387 0.000 0.922 147 Q HN 0.410 nan 8.270 nan 0.000 0.445 148 Y N -0.549 119.753 120.300 0.004 0.000 2.511 148 Y HA 0.024 4.575 4.550 0.001 0.000 0.279 148 Y C 1.838 177.739 175.900 0.003 0.000 1.157 148 Y CA 0.192 58.293 58.100 0.001 0.000 1.300 148 Y CB 0.202 38.662 38.460 -0.000 0.000 1.052 148 Y HN 0.061 nan 8.280 nan 0.000 0.529 149 Q N 0.579 120.447 119.800 0.113 0.000 2.124 149 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 149 Q C 2.003 178.035 176.000 0.055 0.000 0.977 149 Q CA 1.457 57.307 55.803 0.078 0.000 0.850 149 Q CB -0.090 28.680 28.738 0.054 0.000 0.901 149 Q HN 0.299 nan 8.270 nan 0.000 0.429 150 K N -0.257 120.164 120.400 0.036 0.000 2.147 150 K HA -0.101 4.219 4.320 0.001 0.000 0.205 150 K C 1.894 178.515 176.600 0.035 0.000 1.049 150 K CA 0.962 57.263 56.287 0.024 0.000 0.936 150 K CB -0.103 32.401 32.500 0.007 0.000 0.722 150 K HN 0.245 nan 8.250 nan 0.000 0.446 151 I N 0.801 121.407 120.570 0.059 0.000 2.193 151 I HA -0.283 3.887 4.170 0.001 0.000 0.240 151 I C 2.122 178.269 176.117 0.050 0.000 1.084 151 I CA 0.704 62.042 61.300 0.064 0.000 1.365 151 I CB -0.177 37.891 38.000 0.113 0.000 1.064 151 I HN 0.108 nan 8.210 nan 0.000 0.410 152 L N 0.769 122.028 121.223 0.061 0.000 2.021 152 L HA -0.273 4.068 4.340 0.001 0.000 0.215 152 L C 2.534 179.422 176.870 0.029 0.000 1.074 152 L CA 2.054 56.918 54.840 0.041 0.000 0.760 152 L CB -1.303 40.784 42.059 0.047 0.000 0.889 152 L HN 0.384 nan 8.230 nan 0.000 0.433 153 E N -0.835 119.383 120.200 0.030 0.000 2.031 153 E HA -0.273 4.077 4.350 0.001 0.000 0.193 153 E C 2.209 178.818 176.600 0.015 0.000 0.994 153 E CA 1.127 57.540 56.400 0.022 0.000 0.800 153 E CB -0.120 29.592 29.700 0.020 0.000 0.752 153 E HN 0.178 nan 8.360 nan 0.000 0.447 154 R N 1.277 121.785 120.500 0.014 0.000 2.127 154 R HA -0.110 4.231 4.340 0.001 0.000 0.238 154 R C 2.043 178.344 176.300 0.001 0.000 1.134 154 R CA 1.100 57.204 56.100 0.006 0.000 0.975 154 R CB -0.569 29.735 30.300 0.006 0.000 0.865 154 R HN 0.194 nan 8.270 nan 0.000 0.447 155 L N 0.293 121.519 121.223 0.005 0.000 2.109 155 L HA -0.097 4.244 4.340 0.001 0.000 0.207 155 L C 2.510 179.381 176.870 0.002 0.000 1.086 155 L CA 1.635 56.475 54.840 -0.001 0.000 0.760 155 L CB -0.434 41.627 42.059 0.004 0.000 0.910 155 L HN 0.290 nan 8.230 nan 0.000 0.437 156 K N -0.350 120.055 120.400 0.009 0.000 2.057 156 K HA -0.163 4.158 4.320 0.001 0.000 0.206 156 K C 1.864 178.469 176.600 0.008 0.000 1.050 156 K CA 1.891 58.186 56.287 0.013 0.000 0.935 156 K CB -0.191 32.318 32.500 0.016 0.000 0.715 156 K HN 0.121 nan 8.250 nan 0.000 0.439 157 T N 2.061 116.618 114.554 0.004 0.000 2.788 157 T HA -0.081 4.269 4.350 0.001 0.000 0.268 157 T C 1.815 176.511 174.700 -0.006 0.000 1.044 157 T CA 1.401 63.502 62.100 0.001 0.000 1.139 157 T CB -0.094 68.774 68.868 0.000 0.000 0.867 157 T HN 0.182 nan 8.240 nan 0.000 0.454 158 L N 0.474 121.687 121.223 -0.016 0.000 2.156 158 L HA -0.004 4.337 4.340 0.001 0.000 0.208 158 L C 2.751 179.596 176.870 -0.041 0.000 1.095 158 L CA 0.956 55.775 54.840 -0.036 0.000 0.770 158 L CB -0.396 41.632 42.059 -0.052 0.000 0.914 158 L HN 0.172 nan 8.230 nan 0.000 0.439 159 E N 0.793 120.982 120.200 -0.019 0.000 2.110 159 E HA -0.187 4.164 4.350 0.001 0.000 0.193 159 E C 2.258 178.874 176.600 0.027 0.000 0.988 159 E CA 1.346 57.750 56.400 0.006 0.000 0.804 159 E CB 0.062 29.784 29.700 0.036 0.000 0.745 159 E HN 0.237 nan 8.360 nan 0.000 0.458 160 R N -0.032 120.479 120.500 0.018 0.000 2.115 160 R HA -0.051 4.290 4.340 0.001 0.000 0.230 160 R C 2.301 178.614 176.300 0.022 0.000 1.111 160 R CA 1.359 57.472 56.100 0.021 0.000 0.976 160 R CB -0.130 30.178 30.300 0.014 0.000 0.870 160 R HN 0.281 nan 8.270 nan 0.000 0.445 161 E N 0.649 120.853 120.200 0.007 0.000 2.106 161 E HA -0.147 4.204 4.350 0.001 0.000 0.192 161 E C 2.001 178.608 176.600 0.012 0.000 0.984 161 E CA 1.268 57.672 56.400 0.006 0.000 0.806 161 E CB 0.011 29.701 29.700 -0.017 0.000 0.750 161 E HN 0.465 nan 8.360 nan 0.000 0.458 162 I N -1.973 118.586 120.570 -0.018 0.000 3.228 162 I HA 0.095 4.266 4.170 0.001 0.000 0.279 162 I C 0.820 177.030 176.117 0.155 0.000 1.221 162 I CA -0.110 61.173 61.300 -0.028 0.000 1.458 162 I CB 0.313 38.161 38.000 -0.253 0.000 1.105 162 I HN -0.243 nan 8.210 nan 0.000 0.445 163 S N 1.420 117.218 115.700 0.164 0.000 2.579 163 S HA 0.588 5.058 4.470 0.001 0.000 0.275 163 S C 0.297 174.935 174.600 0.064 0.000 1.345 163 S CA 0.419 58.739 58.200 0.199 0.000 1.031 163 S CB 0.839 64.112 63.200 0.121 0.000 0.892 163 S HN 0.826 nan 8.310 nan 0.000 0.529 164 G N -0.129 108.625 108.800 -0.076 0.000 2.453 164 G HA2 0.438 4.399 3.960 0.001 0.000 0.665 164 G HA3 0.438 4.399 3.960 0.001 0.000 0.665 164 G C -0.644 173.962 174.900 -0.490 0.000 1.411 164 G CA -0.504 44.417 45.100 -0.299 0.000 0.889 164 G HN 1.022 nan 8.290 nan 0.000 0.651 165 G N -1.012 107.312 108.800 -0.794 0.000 2.695 165 G HA2 1.156 5.117 3.960 0.001 0.000 0.290 165 G HA3 1.156 5.117 3.960 0.001 0.000 0.290 165 G C -0.549 174.120 174.900 -0.385 0.000 1.410 165 G CA 0.384 45.070 45.100 -0.690 0.000 0.844 165 G HN 2.339 nan 8.290 nan 0.000 0.478 166 A N -0.256 122.531 122.820 -0.056 0.000 2.566 166 A HA 0.750 5.071 4.320 0.001 0.000 0.297 166 A C -1.211 176.502 177.584 0.214 0.000 1.059 166 A CA -0.551 51.548 52.037 0.104 0.000 0.691 166 A CB 1.829 20.847 19.000 0.030 0.000 1.282 166 A HN 0.628 nan 8.150 nan 0.000 0.401 167 M N 0.963 120.719 119.600 0.261 0.000 2.537 167 M HA 0.823 5.303 4.480 0.001 0.000 0.324 167 M C 0.086 176.571 176.300 0.308 0.000 1.187 167 M CA 0.060 55.514 55.300 0.256 0.000 0.993 167 M CB 2.008 34.729 32.600 0.200 0.000 1.666 167 M HN 1.385 nan 8.290 nan 0.000 0.461 168 A N 1.322 124.334 122.820 0.320 0.000 2.549 168 A HA 0.848 5.168 4.320 0.001 0.000 0.297 168 A C -1.807 175.910 177.584 0.222 0.000 1.061 168 A CA -0.784 51.438 52.037 0.309 0.000 0.690 168 A CB 1.755 21.129 19.000 0.624 0.000 1.287 168 A HN 0.716 nan 8.150 nan 0.000 0.402 169 V N 2.657 122.603 119.914 0.053 0.000 2.525 169 V HA 0.720 4.841 4.120 0.001 0.000 0.299 169 V C -1.272 174.858 176.094 0.060 0.000 1.034 169 V CA -0.310 62.043 62.300 0.088 0.000 0.863 169 V CB 1.545 33.397 31.823 0.049 0.000 0.999 169 V HN 0.943 nan 8.190 nan 0.000 0.423 170 V N 5.560 125.600 119.914 0.209 0.000 2.823 170 V HA 0.976 5.097 4.120 0.001 0.000 0.312 170 V C 0.015 176.275 176.094 0.276 0.000 1.072 170 V CA -0.104 62.352 62.300 0.259 0.000 0.937 170 V CB 1.962 34.045 31.823 0.433 0.000 1.013 170 V HN 1.177 nan 8.190 nan 0.000 0.430 171 A N 2.995 126.000 122.820 0.308 0.000 2.422 171 A HA 0.915 5.236 4.320 0.001 0.000 0.302 171 A C -0.944 176.877 177.584 0.395 0.000 1.041 171 A CA -0.564 51.679 52.037 0.343 0.000 0.708 171 A CB 1.965 21.162 19.000 0.328 0.000 1.257 171 A HN 1.506 nan 8.150 nan 0.000 0.414 172 V N -0.049 120.105 119.914 0.399 0.000 2.680 172 V HA 0.864 4.984 4.120 0.001 0.000 0.309 172 V C -0.992 175.386 176.094 0.472 0.000 1.052 172 V CA -0.895 61.636 62.300 0.386 0.000 0.908 172 V CB 1.523 33.526 31.823 0.300 0.000 1.001 172 V HN 0.808 nan 8.190 nan 0.000 0.431 173 L N 4.602 126.109 121.223 0.473 0.000 2.318 173 L HA 0.590 4.931 4.340 0.001 0.000 0.277 173 L C -0.674 176.464 176.870 0.447 0.000 1.008 173 L CA -0.145 54.985 54.840 0.484 0.000 0.846 173 L CB 1.059 43.469 42.059 0.584 0.000 1.220 173 L HN 0.754 nan 8.230 nan 0.000 0.423 174 L N 4.822 126.294 121.223 0.414 0.000 2.305 174 L HA 0.416 4.756 4.340 0.001 0.000 0.284 174 L C -0.034 176.997 176.870 0.269 0.000 1.013 174 L CA -0.726 54.306 54.840 0.320 0.000 0.819 174 L CB 1.159 43.418 42.059 0.334 0.000 1.227 174 L HN 0.654 nan 8.230 nan 0.000 0.417 175 N N 3.649 122.477 118.700 0.213 0.000 2.724 175 N HA -0.264 4.476 4.740 0.001 0.000 0.293 175 N C 0.544 176.135 175.510 0.135 0.000 1.090 175 N CA 0.882 54.032 53.050 0.166 0.000 0.793 175 N CB -0.598 37.959 38.487 0.116 0.000 0.958 175 N HN 0.718 nan 8.380 nan 0.000 0.575 176 N N -0.919 117.865 118.700 0.141 0.000 2.650 176 N HA -0.238 4.502 4.740 0.001 0.000 0.249 176 N C -0.938 174.564 175.510 -0.013 0.000 1.155 176 N CA 1.468 54.551 53.050 0.056 0.000 0.747 176 N CB -0.229 38.270 38.487 0.021 0.000 1.132 176 N HN 0.578 nan 8.380 nan 0.000 0.564 177 K N 0.042 120.457 120.400 0.024 0.000 2.292 177 K HA 0.450 4.771 4.320 0.001 0.000 0.257 177 K C -0.808 175.700 176.600 -0.154 0.000 0.940 177 K CA -0.926 55.287 56.287 -0.123 0.000 0.811 177 K CB 1.885 34.317 32.500 -0.114 0.000 1.120 177 K HN 0.059 nan 8.250 nan 0.000 0.428 178 L N 3.882 124.933 121.223 -0.287 0.000 2.296 178 L HA 0.430 4.770 4.340 0.001 0.000 0.286 178 L C -1.691 175.017 176.870 -0.271 0.000 1.023 178 L CA -0.239 54.524 54.840 -0.129 0.000 0.812 178 L CB 0.491 42.524 42.059 -0.045 0.000 1.223 178 L HN 0.433 nan 8.230 nan 0.000 0.421 179 Y N 3.728 124.116 120.300 0.146 0.000 2.429 179 Y HA 0.723 5.273 4.550 0.001 0.000 0.342 179 Y C -0.351 175.648 175.900 0.165 0.000 1.004 179 Y CA -1.057 57.127 58.100 0.140 0.000 1.075 179 Y CB 2.072 40.613 38.460 0.135 0.000 1.214 179 Y HN 0.275 nan 8.280 nan 0.000 0.455 180 V N 2.369 122.468 119.914 0.307 0.000 2.487 180 V HA 0.813 4.934 4.120 0.001 0.000 0.298 180 V C -0.506 175.734 176.094 0.243 0.000 1.028 180 V CA -0.948 61.508 62.300 0.261 0.000 0.860 180 V CB 1.455 33.399 31.823 0.201 0.000 0.991 180 V HN 0.888 nan 8.190 nan 0.000 0.427 181 A N 4.004 126.944 122.820 0.200 0.000 2.303 181 A HA 0.834 5.155 4.320 0.001 0.000 0.320 181 A C -0.555 177.064 177.584 0.059 0.000 1.192 181 A CA -0.537 51.526 52.037 0.042 0.000 0.821 181 A CB 0.879 19.868 19.000 -0.019 0.000 1.188 181 A HN 0.817 nan 8.150 nan 0.000 0.492 182 N N 1.137 119.854 118.700 0.029 0.000 2.249 182 N HA 0.588 5.329 4.740 0.001 0.000 0.296 182 N C -1.805 173.808 175.510 0.172 0.000 1.051 182 N CA -0.288 52.838 53.050 0.126 0.000 0.815 182 N CB 2.035 40.616 38.487 0.157 0.000 1.487 182 N HN 0.273 nan 8.380 nan 0.000 0.475 183 V N 3.045 123.095 119.914 0.227 0.000 2.398 183 V HA 0.867 4.987 4.120 0.001 0.000 0.282 183 V C 0.737 177.020 176.094 0.315 0.000 1.014 183 V CA 0.291 62.754 62.300 0.271 0.000 0.838 183 V CB 0.156 32.130 31.823 0.251 0.000 1.018 183 V HN 1.050 nan 8.190 nan 0.000 0.432 184 G N 4.351 113.429 108.800 0.462 0.000 2.384 184 G HA2 -0.066 3.895 3.960 0.001 0.000 0.200 184 G HA3 -0.066 3.895 3.960 0.001 0.000 0.200 184 G C 0.383 175.370 174.900 0.145 0.000 1.205 184 G CA 0.259 45.523 45.100 0.274 0.000 1.116 184 G HN 1.162 nan 8.290 nan 0.000 0.547 185 T N -1.232 113.396 114.554 0.124 0.000 3.129 185 T HA 0.377 4.727 4.350 0.001 0.000 0.267 185 T C 0.585 175.401 174.700 0.192 0.000 1.018 185 T CA 0.598 62.775 62.100 0.127 0.000 0.903 185 T CB -0.392 68.566 68.868 0.151 0.000 1.067 185 T HN 0.621 nan 8.240 nan 0.000 0.549 186 N N 1.167 119.953 118.700 0.144 0.000 2.381 186 N HA 0.455 5.195 4.740 0.001 0.000 0.254 186 N C -0.254 175.332 175.510 0.128 0.000 1.264 186 N CA -0.602 52.542 53.050 0.156 0.000 0.942 186 N CB 0.635 39.175 38.487 0.088 0.000 1.190 186 N HN 0.210 nan 8.380 nan 0.000 0.495 187 R N -0.164 120.404 120.500 0.114 0.000 2.771 187 R HA 0.667 5.008 4.340 0.001 0.000 0.274 187 R C -1.474 174.827 176.300 0.002 0.000 0.987 187 R CA -0.888 55.223 56.100 0.017 0.000 0.908 187 R CB 1.981 32.250 30.300 -0.052 0.000 1.213 187 R HN 0.500 nan 8.270 nan 0.000 0.468 188 A N 2.993 125.792 122.820 -0.034 0.000 2.330 188 A HA 0.683 5.003 4.320 0.001 0.000 0.313 188 A C -0.974 176.573 177.584 -0.062 0.000 1.124 188 A CA -0.646 51.376 52.037 -0.026 0.000 0.774 188 A CB 0.814 19.812 19.000 -0.004 0.000 1.198 188 A HN 0.531 nan 8.150 nan 0.000 0.465 189 L N 2.840 124.030 121.223 -0.055 0.000 2.385 189 L HA 0.491 4.831 4.340 0.001 0.000 0.273 189 L C -0.735 176.068 176.870 -0.112 0.000 0.990 189 L CA -0.488 54.297 54.840 -0.092 0.000 0.821 189 L CB 1.930 43.939 42.059 -0.084 0.000 1.279 189 L HN 0.608 nan 8.230 nan 0.000 0.412 190 L N 3.021 124.156 121.223 -0.147 0.000 2.265 190 L HA 0.431 4.771 4.340 0.001 0.000 0.289 190 L C -1.036 175.655 176.870 -0.297 0.000 1.033 190 L CA -0.308 54.427 54.840 -0.175 0.000 0.814 190 L CB 1.223 43.197 42.059 -0.141 0.000 1.203 190 L HN 0.752 nan 8.230 nan 0.000 0.423 191 C N 4.867 123.861 119.300 -0.509 0.000 2.239 191 C HA 0.337 4.798 4.460 0.001 0.000 0.323 191 C C 0.352 174.961 174.990 -0.635 0.000 1.205 191 C CA -0.925 57.652 59.018 -0.736 0.000 1.584 191 C CB 0.535 27.379 27.740 -1.493 0.000 2.201 191 C HN 0.642 nan 8.230 nan 0.000 0.475 192 K N 2.167 122.335 120.400 -0.386 0.000 2.240 192 K HA 0.362 4.683 4.320 0.001 0.000 0.271 192 K C -0.026 176.448 176.600 -0.210 0.000 1.018 192 K CA 0.086 56.212 56.287 -0.268 0.000 0.874 192 K CB 0.863 33.250 32.500 -0.189 0.000 1.098 192 K HN 0.635 nan 8.250 nan 0.000 0.458 193 S N 3.050 118.657 115.700 -0.155 0.000 2.448 193 S HA 0.160 4.630 4.470 0.001 0.000 0.279 193 S C 0.247 174.838 174.600 -0.015 0.000 1.195 193 S CA -0.438 57.744 58.200 -0.031 0.000 1.051 193 S CB 0.268 63.562 63.200 0.156 0.000 0.948 193 S HN 0.755 nan 8.310 nan 0.000 0.493 194 T N 1.552 116.095 114.554 -0.018 0.000 2.628 194 T HA 0.645 4.995 4.350 0.001 0.000 0.223 194 T C -0.006 174.691 174.700 -0.005 0.000 0.959 194 T CA -0.064 62.023 62.100 -0.020 0.000 1.113 194 T CB 0.154 69.001 68.868 -0.036 0.000 2.140 194 T HN 0.963 nan 8.240 nan 0.000 0.516 195 V N -1.082 118.825 119.914 -0.011 0.000 2.439 195 V HA 0.734 4.854 4.120 0.001 0.000 0.277 195 V C -1.117 174.970 176.094 -0.012 0.000 1.008 195 V CA -0.626 61.670 62.300 -0.007 0.000 0.846 195 V CB 0.451 32.269 31.823 -0.009 0.000 1.031 195 V HN 0.938 nan 8.190 nan 0.000 0.441 196 D N 2.321 122.716 120.400 -0.009 0.000 4.432 196 D HA 0.154 4.795 4.640 0.001 0.000 0.104 196 D C 0.670 176.964 176.300 -0.010 0.000 0.397 196 D CA 1.215 55.208 54.000 -0.012 0.000 0.577 196 D CB -0.239 40.549 40.800 -0.019 0.000 1.641 196 D HN 1.526 nan 8.370 nan 0.000 0.021 197 G N 0.554 109.351 108.800 -0.004 0.000 2.384 197 G HA2 -0.001 3.960 3.960 0.001 0.000 0.204 197 G HA3 -0.001 3.960 3.960 0.001 0.000 0.204 197 G C -1.603 173.291 174.900 -0.011 0.000 1.237 197 G CA -0.373 44.729 45.100 0.003 0.000 1.060 197 G HN 0.211 nan 8.290 nan 0.000 0.514 198 L N 1.189 122.400 121.223 -0.020 0.000 2.257 198 L HA 0.631 4.972 4.340 0.001 0.000 0.290 198 L C 0.609 177.419 176.870 -0.101 0.000 1.044 198 L CA -0.220 54.576 54.840 -0.073 0.000 0.810 198 L CB 1.391 43.412 42.059 -0.064 0.000 1.193 198 L HN 0.696 nan 8.230 nan 0.000 0.425 199 Q N 3.998 123.719 119.800 -0.132 0.000 2.296 199 Q HA 0.458 4.798 4.340 0.001 0.000 0.257 199 Q C -1.517 174.382 176.000 -0.169 0.000 0.942 199 Q CA -0.596 55.131 55.803 -0.127 0.000 0.939 199 Q CB 1.280 29.951 28.738 -0.112 0.000 1.198 199 Q HN 0.536 nan 8.270 nan 0.000 0.429 200 V N 4.029 123.857 119.914 -0.143 0.000 2.370 200 V HA 0.446 4.566 4.120 0.001 0.000 0.283 200 V C -0.217 175.796 176.094 -0.134 0.000 1.023 200 V CA -0.570 61.635 62.300 -0.158 0.000 0.857 200 V CB 1.432 33.179 31.823 -0.127 0.000 0.985 200 V HN 0.916 nan 8.190 nan 0.000 0.443 201 T N 1.642 116.108 114.554 -0.146 0.000 2.881 201 T HA 0.457 4.808 4.350 0.001 0.000 0.291 201 T C -0.642 173.975 174.700 -0.138 0.000 0.990 201 T CA -0.658 61.364 62.100 -0.131 0.000 0.976 201 T CB 1.572 70.366 68.868 -0.124 0.000 0.970 201 T HN 0.618 nan 8.240 nan 0.000 0.438 202 Q N 3.314 123.030 119.800 -0.141 0.000 2.296 202 Q HA 0.276 4.617 4.340 0.001 0.000 0.263 202 Q C 0.574 176.464 176.000 -0.182 0.000 1.026 202 Q CA -0.508 55.202 55.803 -0.155 0.000 0.912 202 Q CB 0.448 29.085 28.738 -0.168 0.000 1.198 202 Q HN 0.789 nan 8.270 nan 0.000 0.407 203 L N 2.974 124.087 121.223 -0.183 0.000 2.201 203 L HA -0.089 4.251 4.340 0.001 0.000 0.212 203 L C 1.154 177.725 176.870 -0.499 0.000 1.105 203 L CA 0.515 55.213 54.840 -0.237 0.000 0.775 203 L CB -0.601 41.376 42.059 -0.137 0.000 0.913 203 L HN 0.695 nan 8.230 nan 0.000 0.440 204 N N -0.628 117.808 118.700 -0.440 0.000 2.741 204 N HA 0.373 5.113 4.740 0.001 0.000 0.310 204 N C -0.836 174.461 175.510 -0.355 0.000 1.295 204 N CA -0.469 52.228 53.050 -0.588 0.000 0.893 204 N CB 2.205 40.579 38.487 -0.189 0.000 1.247 204 N HN -0.243 nan 8.380 nan 0.000 0.596 205 V N 0.272 120.041 119.914 -0.242 0.000 2.680 205 V HA 0.223 4.344 4.120 0.001 0.000 0.309 205 V C -0.892 175.019 176.094 -0.305 0.000 1.052 205 V CA -0.885 61.295 62.300 -0.200 0.000 0.908 205 V CB 1.661 33.433 31.823 -0.086 0.000 1.001 205 V HN 0.610 nan 8.190 nan 0.000 0.431 206 D N 1.790 122.066 120.400 -0.205 0.000 2.383 206 D HA 0.184 4.824 4.640 0.001 0.000 0.252 206 D C -0.085 176.122 176.300 -0.155 0.000 1.166 206 D CA 0.247 54.147 54.000 -0.167 0.000 0.879 206 D CB 0.334 41.100 40.800 -0.056 0.000 1.164 206 D HN 0.576 nan 8.370 nan 0.000 0.462 207 H N 0.760 119.860 119.070 0.050 0.000 2.969 207 H HA 0.359 4.916 4.556 0.001 0.000 0.269 207 H C 0.545 175.892 175.328 0.032 0.000 1.223 207 H CA -0.287 55.786 56.048 0.041 0.000 1.400 207 H CB 0.299 30.086 29.762 0.042 0.000 1.500 207 H HN 0.335 nan 8.280 nan 0.000 0.486 208 T N -1.886 112.742 114.554 0.123 0.000 2.754 208 T HA 0.090 4.441 4.350 0.001 0.000 0.296 208 T C 1.430 176.166 174.700 0.061 0.000 1.205 208 T CA -0.353 61.792 62.100 0.074 0.000 1.009 208 T CB 1.003 69.902 68.868 0.052 0.000 1.368 208 T HN 0.383 nan 8.240 nan 0.000 0.509 209 T N -1.437 113.142 114.554 0.041 0.000 2.929 209 T HA -0.019 4.332 4.350 0.001 0.000 0.271 209 T C 1.342 176.064 174.700 0.036 0.000 1.085 209 T CA 1.428 63.548 62.100 0.035 0.000 1.125 209 T CB -0.600 68.282 68.868 0.024 0.000 0.874 209 T HN 0.742 nan 8.240 nan 0.000 0.494 210 E N 1.258 121.478 120.200 0.032 0.000 2.274 210 E HA 0.028 4.378 4.350 0.001 0.000 0.194 210 E C 0.818 177.435 176.600 0.028 0.000 0.996 210 E CA -0.045 56.369 56.400 0.024 0.000 0.840 210 E CB 0.001 29.710 29.700 0.016 0.000 0.772 210 E HN 0.398 nan 8.360 nan 0.000 0.491 211 N N 1.900 120.626 118.700 0.043 0.000 2.405 211 N HA -0.063 4.678 4.740 0.001 0.000 0.260 211 N C 0.444 175.994 175.510 0.067 0.000 1.152 211 N CA 0.353 53.436 53.050 0.054 0.000 0.948 211 N CB 0.699 39.237 38.487 0.086 0.000 1.111 211 N HN 0.122 nan 8.380 nan 0.000 0.485 212 E N 2.391 122.624 120.200 0.054 0.000 2.097 212 E HA -0.214 4.136 4.350 0.001 0.000 0.196 212 E C 0.336 177.000 176.600 0.108 0.000 1.000 212 E CA 1.318 57.755 56.400 0.062 0.000 0.804 212 E CB 0.168 29.884 29.700 0.028 0.000 0.740 212 E HN 0.644 nan 8.360 nan 0.000 0.454 213 D N 0.538 121.003 120.400 0.107 0.000 2.178 213 D HA -0.138 4.503 4.640 0.001 0.000 0.201 213 D C 1.835 178.242 176.300 0.177 0.000 0.980 213 D CA 0.828 54.923 54.000 0.158 0.000 0.842 213 D CB -0.076 40.799 40.800 0.125 0.000 0.948 213 D HN 0.141 nan 8.370 nan 0.000 0.472 214 E N 0.330 120.609 120.200 0.132 0.000 2.112 214 E HA -0.032 4.318 4.350 0.001 0.000 0.190 214 E C 2.301 178.946 176.600 0.075 0.000 0.979 214 E CA -0.057 56.398 56.400 0.092 0.000 0.814 214 E CB -0.141 29.621 29.700 0.104 0.000 0.762 214 E HN 0.296 nan 8.360 nan 0.000 0.460 215 L N 0.263 121.544 121.223 0.097 0.000 2.093 215 L HA -0.156 4.185 4.340 0.001 0.000 0.208 215 L C 2.344 179.289 176.870 0.126 0.000 1.085 215 L CA 1.015 55.907 54.840 0.087 0.000 0.755 215 L CB -0.331 41.779 42.059 0.086 0.000 0.904 215 L HN 0.084 nan 8.230 nan 0.000 0.435 216 F N 1.101 121.053 119.950 0.004 0.000 2.051 216 F HA -0.244 4.283 4.527 0.001 0.000 0.296 216 F C 2.814 178.611 175.800 -0.005 0.000 1.122 216 F CA 1.861 59.862 58.000 0.001 0.000 1.201 216 F CB -0.614 38.388 39.000 0.003 0.000 0.978 216 F HN -0.041 nan 8.300 nan 0.000 0.472 217 R N 0.452 120.873 120.500 -0.131 0.000 2.113 217 R HA -0.216 4.125 4.340 0.001 0.000 0.244 217 R C 2.328 178.502 176.300 -0.210 0.000 1.142 217 R CA 2.350 58.312 56.100 -0.231 0.000 0.953 217 R CB -0.690 29.558 30.300 -0.087 0.000 0.860 217 R HN 0.465 nan 8.270 nan 0.000 0.438 218 L N 0.471 121.624 121.223 -0.116 0.000 2.131 218 L HA -0.151 4.190 4.340 0.001 0.000 0.210 218 L C 2.639 179.448 176.870 -0.102 0.000 1.092 218 L CA 1.555 56.338 54.840 -0.095 0.000 0.759 218 L CB -0.448 41.584 42.059 -0.046 0.000 0.903 218 L HN 0.383 nan 8.230 nan 0.000 0.435 219 S N -1.326 114.307 115.700 -0.111 0.000 2.395 219 S HA -0.137 4.334 4.470 0.001 0.000 0.225 219 S C 1.839 176.347 174.600 -0.154 0.000 1.027 219 S CA 0.301 58.448 58.200 -0.088 0.000 0.965 219 S CB -0.281 62.908 63.200 -0.018 0.000 0.812 219 S HN 0.376 nan 8.310 nan 0.000 0.482 220 Q N 0.880 120.495 119.800 -0.308 0.000 2.443 220 Q HA 0.127 4.467 4.340 0.001 0.000 0.213 220 Q C 1.649 177.543 176.000 -0.177 0.000 0.982 220 Q CA 0.730 56.344 55.803 -0.315 0.000 0.894 220 Q CB -0.413 28.025 28.738 -0.500 0.000 0.947 220 Q HN 0.624 nan 8.270 nan 0.000 0.480 221 L N -1.431 119.707 121.223 -0.142 0.000 2.640 221 L HA 0.205 4.545 4.340 0.001 0.000 0.230 221 L C 1.021 177.858 176.870 -0.054 0.000 1.123 221 L CA 0.406 55.190 54.840 -0.094 0.000 0.900 221 L CB 0.261 42.257 42.059 -0.106 0.000 1.146 221 L HN 0.265 nan 8.230 nan 0.000 0.484 222 G N 0.663 109.432 108.800 -0.051 0.000 2.141 222 G HA2 -0.228 3.732 3.960 0.001 0.000 0.231 222 G HA3 -0.228 3.732 3.960 0.001 0.000 0.231 222 G C 0.021 174.915 174.900 -0.010 0.000 0.984 222 G CA -0.367 44.720 45.100 -0.021 0.000 0.660 222 G HN 0.169 nan 8.290 nan 0.000 0.525 223 L N 0.813 122.023 121.223 -0.021 0.000 2.357 223 L HA 0.444 4.785 4.340 0.001 0.000 0.273 223 L C 0.364 177.233 176.870 -0.002 0.000 1.080 223 L CA -0.782 54.053 54.840 -0.007 0.000 0.803 223 L CB 1.201 43.250 42.059 -0.017 0.000 1.174 223 L HN 0.201 nan 8.230 nan 0.000 0.443 224 D N 2.047 122.452 120.400 0.008 0.000 2.383 224 D HA 0.166 4.806 4.640 0.001 0.000 0.245 224 D C 0.895 177.204 176.300 0.015 0.000 1.263 224 D CA 0.112 54.120 54.000 0.013 0.000 0.936 224 D CB 1.437 42.246 40.800 0.015 0.000 1.053 224 D HN 0.568 nan 8.370 nan 0.000 0.507 225 A N 3.891 126.722 122.820 0.019 0.000 1.917 225 A HA -0.114 4.207 4.320 0.001 0.000 0.219 225 A C 2.171 179.770 177.584 0.026 0.000 1.182 225 A CA 1.924 53.977 52.037 0.026 0.000 0.633 225 A CB -1.218 17.808 19.000 0.043 0.000 0.819 225 A HN 0.653 nan 8.150 nan 0.000 0.448 226 G N -0.328 108.487 108.800 0.025 0.000 2.553 226 G HA2 -0.353 3.608 3.960 0.001 0.000 0.218 226 G HA3 -0.353 3.608 3.960 0.001 0.000 0.218 226 G C 1.652 176.564 174.900 0.019 0.000 1.195 226 G CA 1.707 46.820 45.100 0.022 0.000 0.779 226 G HN 0.475 nan 8.290 nan 0.000 0.577 227 K N 0.545 120.956 120.400 0.018 0.000 2.026 227 K HA -0.011 4.309 4.320 0.001 0.000 0.208 227 K C 2.551 179.161 176.600 0.016 0.000 1.048 227 K CA 1.255 57.552 56.287 0.017 0.000 0.929 227 K CB -0.623 31.887 32.500 0.016 0.000 0.713 227 K HN 0.638 nan 8.250 nan 0.000 0.439 228 I N -1.469 119.110 120.570 0.015 0.000 2.286 228 I HA -0.228 3.943 4.170 0.001 0.000 0.248 228 I C 2.174 178.300 176.117 0.016 0.000 1.115 228 I CA 1.513 62.821 61.300 0.014 0.000 1.392 228 I CB -0.303 37.703 38.000 0.010 0.000 1.065 228 I HN 0.011 nan 8.210 nan 0.000 0.418 229 K N 1.039 121.451 120.400 0.019 0.000 2.097 229 K HA -0.282 4.038 4.320 0.001 0.000 0.206 229 K C 2.367 178.978 176.600 0.018 0.000 1.049 229 K CA 2.060 58.359 56.287 0.021 0.000 0.933 229 K CB -0.175 32.339 32.500 0.024 0.000 0.717 229 K HN 0.584 nan 8.250 nan 0.000 0.442 230 Q N 0.219 120.029 119.800 0.017 0.000 2.079 230 Q HA -0.113 4.228 4.340 0.001 0.000 0.200 230 Q C 1.863 177.873 176.000 0.016 0.000 0.974 230 Q CA 1.518 57.331 55.803 0.017 0.000 0.840 230 Q CB 0.180 28.928 28.738 0.017 0.000 0.898 230 Q HN 0.179 nan 8.270 nan 0.000 0.430 231 V N 0.037 119.960 119.914 0.015 0.000 2.453 231 V HA -0.059 4.061 4.120 0.001 0.000 0.247 231 V C 1.673 177.775 176.094 0.013 0.000 1.048 231 V CA 1.326 63.635 62.300 0.014 0.000 1.049 231 V CB -0.962 30.869 31.823 0.012 0.000 0.672 231 V HN 0.723 nan 8.190 nan 0.000 0.457 232 G N 0.385 109.192 108.800 0.012 0.000 2.212 232 G HA2 -0.318 3.642 3.960 0.001 0.000 0.267 232 G HA3 -0.318 3.642 3.960 0.001 0.000 0.267 232 G C 0.029 174.932 174.900 0.005 0.000 1.002 232 G CA 0.973 46.080 45.100 0.011 0.000 0.729 232 G HN 0.572 nan 8.290 nan 0.000 0.517 233 I N -0.511 120.058 120.570 -0.001 0.000 2.710 233 I HA 0.526 4.696 4.170 0.001 0.000 0.290 233 I C -1.004 175.102 176.117 -0.018 0.000 1.318 233 I CA -1.361 59.931 61.300 -0.014 0.000 1.045 233 I CB 1.513 39.504 38.000 -0.014 0.000 1.307 233 I HN -0.013 nan 8.210 nan 0.000 0.424 234 I N 7.045 127.595 120.570 -0.033 0.000 2.359 234 I HA 0.304 4.475 4.170 0.001 0.000 0.284 234 I C -0.002 176.085 176.117 -0.049 0.000 1.018 234 I CA -0.683 60.599 61.300 -0.030 0.000 1.173 234 I CB 1.216 39.200 38.000 -0.026 0.000 1.326 234 I HN 0.700 nan 8.210 nan 0.000 0.462 235 C N 5.714 124.995 119.300 -0.031 0.000 3.268 235 C HA -0.134 4.327 4.460 0.001 0.000 0.277 235 C C 1.698 176.650 174.990 -0.064 0.000 1.259 235 C CA 0.600 59.599 59.018 -0.032 0.000 2.353 235 C CB -2.487 25.243 27.740 -0.017 0.000 1.482 235 C HN 1.313 nan 8.230 nan 0.000 0.513 236 G N -0.077 108.688 108.800 -0.058 0.000 2.196 236 G HA2 -0.265 3.695 3.960 0.001 0.000 0.268 236 G HA3 -0.265 3.695 3.960 0.001 0.000 0.268 236 G C -0.091 174.723 174.900 -0.143 0.000 0.975 236 G CA 1.081 46.135 45.100 -0.076 0.000 0.648 236 G HN 0.792 nan 8.290 nan 0.000 0.538 237 Q N -0.859 118.828 119.800 -0.188 0.000 2.375 237 Q HA 0.496 4.837 4.340 0.001 0.000 0.271 237 Q C 0.717 176.634 176.000 -0.139 0.000 1.074 237 Q CA -0.587 55.067 55.803 -0.248 0.000 0.808 237 Q CB 1.786 30.219 28.738 -0.509 0.000 1.327 237 Q HN 0.470 nan 8.270 nan 0.000 0.441 238 E N 0.485 120.627 120.200 -0.097 0.000 2.190 238 E HA 0.032 4.382 4.350 0.001 0.000 0.191 238 E C 0.186 176.777 176.600 -0.016 0.000 0.978 238 E CA 0.086 56.463 56.400 -0.038 0.000 0.839 238 E CB 0.470 30.164 29.700 -0.009 0.000 0.787 238 E HN 0.399 nan 8.360 nan 0.000 0.473 239 S N 0.487 116.174 115.700 -0.022 0.000 2.558 239 S HA -0.042 4.429 4.470 0.001 0.000 0.293 239 S C 1.113 175.730 174.600 0.028 0.000 1.292 239 S CA 0.338 58.558 58.200 0.032 0.000 1.063 239 S CB 0.642 63.868 63.200 0.043 0.000 0.831 239 S HN 0.336 nan 8.310 nan 0.000 0.499 240 T N 2.712 117.306 114.554 0.067 0.000 3.069 240 T HA 0.331 4.682 4.350 0.001 0.000 0.252 240 T C 0.465 175.166 174.700 0.001 0.000 1.053 240 T CA -0.162 61.955 62.100 0.028 0.000 0.964 240 T CB 0.059 68.948 68.868 0.035 0.000 1.005 240 T HN 0.519 nan 8.240 nan 0.000 0.532 241 R N 1.074 121.594 120.500 0.035 0.000 2.532 241 R HA 0.704 5.045 4.340 0.001 0.000 0.297 241 R C -0.900 175.449 176.300 0.081 0.000 0.984 241 R CA -0.660 55.436 56.100 -0.007 0.000 0.884 241 R CB 2.073 32.278 30.300 -0.158 0.000 1.182 241 R HN 0.254 nan 8.270 nan 0.000 0.442 242 R N 2.501 123.049 120.500 0.080 0.000 2.739 242 R HA 0.506 4.846 4.340 0.001 0.000 0.271 242 R C -0.702 175.662 176.300 0.107 0.000 1.010 242 R CA -0.909 55.270 56.100 0.132 0.000 0.897 242 R CB 1.873 32.274 30.300 0.169 0.000 1.236 242 R HN 0.390 nan 8.270 nan 0.000 0.466 243 I N 1.598 122.231 120.570 0.104 0.000 2.392 243 I HA 0.448 4.619 4.170 0.001 0.000 0.295 243 I C 1.041 177.092 176.117 -0.110 0.000 0.985 243 I CA 0.290 61.612 61.300 0.038 0.000 1.221 243 I CB 1.483 39.519 38.000 0.060 0.000 1.366 243 I HN 0.948 nan 8.210 nan 0.000 0.467 244 G N 5.040 113.763 108.800 -0.129 0.000 2.539 244 G HA2 -0.291 3.669 3.960 0.001 0.000 0.256 244 G HA3 -0.291 3.669 3.960 0.001 0.000 0.256 244 G C -0.167 174.703 174.900 -0.050 0.000 1.233 244 G CA 0.237 45.212 45.100 -0.210 0.000 0.936 244 G HN 1.001 nan 8.290 nan 0.000 0.571 245 D N -1.816 118.548 120.400 -0.060 0.000 4.044 245 D HA -0.105 4.535 4.640 0.001 0.000 0.242 245 D C 0.802 177.076 176.300 -0.043 0.000 1.076 245 D CA 1.774 55.737 54.000 -0.060 0.000 1.171 245 D CB -1.258 39.517 40.800 -0.041 0.000 0.866 245 D HN 1.732 nan 8.370 nan 0.000 0.413 246 Y N 2.509 122.807 120.300 -0.004 0.000 2.207 246 Y HA -0.131 4.420 4.550 0.001 0.000 0.287 246 Y C 2.076 177.974 175.900 -0.002 0.000 1.156 246 Y CA 1.682 59.729 58.100 -0.088 0.000 1.182 246 Y CB -0.386 38.103 38.460 0.047 0.000 0.979 246 Y HN 0.270 nan 8.280 nan 0.000 0.521 247 K N 0.668 120.542 120.400 -0.876 0.000 2.044 247 K HA -0.178 4.142 4.320 0.001 0.000 0.210 247 K C 2.102 178.621 176.600 -0.136 0.000 1.049 247 K CA 2.625 58.574 56.287 -0.564 0.000 0.927 247 K CB -0.489 31.706 32.500 -0.507 0.000 0.713 247 K HN 0.516 nan 8.250 nan 0.000 0.443 248 V N -1.840 118.035 119.914 -0.066 0.000 3.174 248 V HA 0.067 4.188 4.120 0.001 0.000 0.254 248 V C 1.650 177.825 176.094 0.134 0.000 1.120 248 V CA 0.679 63.017 62.300 0.062 0.000 1.114 248 V CB -0.015 31.834 31.823 0.044 0.000 0.756 248 V HN 0.047 nan 8.190 nan 0.000 0.467 249 K N -0.029 120.376 120.400 0.009 0.000 2.167 249 K HA 0.061 4.381 4.320 0.001 0.000 0.203 249 K C 1.842 178.530 176.600 0.147 0.000 1.052 249 K CA 1.580 57.847 56.287 -0.032 0.000 0.956 249 K CB -0.225 32.086 32.500 -0.316 0.000 0.735 249 K HN 0.660 nan 8.250 nan 0.000 0.451 250 Y N -0.944 119.473 120.300 0.195 0.000 2.581 250 Y HA 0.261 4.811 4.550 0.001 0.000 0.271 250 Y C 1.951 177.833 175.900 -0.029 0.000 1.100 250 Y CA 0.088 58.252 58.100 0.106 0.000 1.281 250 Y CB -0.291 38.242 38.460 0.121 0.000 1.237 250 Y HN -0.019 nan 8.280 nan 0.000 0.514 251 G N -0.628 108.265 108.800 0.156 0.000 3.609 251 G HA2 0.027 3.987 3.960 0.001 0.000 0.280 251 G HA3 0.027 3.987 3.960 0.001 0.000 0.280 251 G C 0.918 175.812 174.900 -0.010 0.000 1.155 251 G CA -0.076 45.039 45.100 0.024 0.000 0.876 251 G HN 0.478 nan 8.290 nan 0.000 0.535 252 Y N 0.259 120.586 120.300 0.046 0.000 2.181 252 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 252 Y C 2.612 178.525 175.900 0.022 0.000 1.146 252 Y CA 1.488 59.602 58.100 0.023 0.000 1.164 252 Y CB -1.188 37.283 38.460 0.019 0.000 0.982 252 Y HN 0.135 nan 8.280 nan 0.000 0.515 253 T N -2.538 111.802 114.554 -0.357 0.000 2.869 253 T HA -0.211 4.139 4.350 0.001 0.000 0.270 253 T C 0.935 175.602 174.700 -0.055 0.000 1.082 253 T CA 1.591 63.594 62.100 -0.162 0.000 1.123 253 T CB -0.604 68.104 68.868 -0.268 0.000 0.856 253 T HN 0.501 nan 8.240 nan 0.000 0.499 254 D N 0.794 121.162 120.400 -0.053 0.000 2.358 254 D HA 0.286 4.927 4.640 0.001 0.000 0.224 254 D C 0.022 176.329 176.300 0.012 0.000 1.123 254 D CA 0.062 54.052 54.000 -0.016 0.000 0.833 254 D CB 0.222 41.011 40.800 -0.018 0.000 0.946 254 D HN 0.524 nan 8.370 nan 0.000 0.505 255 I N 1.623 122.214 120.570 0.036 0.000 2.537 255 I HA 0.020 4.191 4.170 0.001 0.000 0.276 255 I C 0.781 176.925 176.117 0.046 0.000 1.063 255 I CA -0.604 60.721 61.300 0.042 0.000 1.144 255 I CB 1.620 39.653 38.000 0.056 0.000 1.252 255 I HN -0.328 nan 8.210 nan 0.000 0.480 256 D N 3.380 123.799 120.400 0.031 0.000 2.973 256 D HA -0.306 4.334 4.640 0.001 0.000 0.203 256 D C 1.898 178.219 176.300 0.034 0.000 1.096 256 D CA 1.714 55.731 54.000 0.029 0.000 0.876 256 D CB -0.051 40.761 40.800 0.021 0.000 0.979 256 D HN 0.393 nan 8.370 nan 0.000 0.495 257 L N 0.029 121.271 121.223 0.031 0.000 2.189 257 L HA -0.133 4.208 4.340 0.001 0.000 0.214 257 L C 2.115 179.007 176.870 0.036 0.000 1.097 257 L CA 1.474 56.331 54.840 0.028 0.000 0.764 257 L CB -0.198 41.874 42.059 0.021 0.000 0.900 257 L HN 0.149 nan 8.230 nan 0.000 0.436 258 L N -2.587 118.671 121.223 0.059 0.000 2.878 258 L HA 0.137 4.477 4.340 0.001 0.000 0.253 258 L C 2.172 179.125 176.870 0.139 0.000 1.135 258 L CA 0.639 55.531 54.840 0.086 0.000 0.943 258 L CB -0.299 41.828 42.059 0.113 0.000 1.307 258 L HN 0.162 nan 8.230 nan 0.000 0.545 259 S N 1.327 117.091 115.700 0.107 0.000 2.428 259 S HA -0.299 4.171 4.470 0.001 0.000 0.240 259 S C 1.925 176.582 174.600 0.095 0.000 1.036 259 S CA 1.438 59.693 58.200 0.092 0.000 1.009 259 S CB -0.398 62.830 63.200 0.047 0.000 0.803 259 S HN 0.420 nan 8.310 nan 0.000 0.486 260 A N 1.520 124.390 122.820 0.083 0.000 2.123 260 A HA 0.669 4.989 4.320 0.001 0.000 0.214 260 A C 1.308 178.943 177.584 0.084 0.000 1.152 260 A CA 0.414 52.491 52.037 0.067 0.000 0.728 260 A CB -0.943 18.081 19.000 0.039 0.000 0.814 260 A HN 0.973 nan 8.150 nan 0.000 0.464 261 A N 0.917 123.806 122.820 0.114 0.000 2.565 261 A HA 0.258 4.578 4.320 0.001 0.000 0.237 261 A C 1.044 178.721 177.584 0.154 0.000 1.053 261 A CA 0.725 52.810 52.037 0.081 0.000 0.755 261 A CB -0.048 18.934 19.000 -0.030 0.000 0.980 261 A HN 0.604 nan 8.150 nan 0.000 0.506 262 K N 1.127 121.570 120.400 0.071 0.000 2.372 262 K HA 0.358 4.678 4.320 0.001 0.000 0.200 262 K C 0.235 176.886 176.600 0.087 0.000 1.022 262 K CA 0.507 56.844 56.287 0.084 0.000 1.125 262 K CB 0.198 32.719 32.500 0.034 0.000 0.855 262 K HN 0.436 nan 8.250 nan 0.000 0.524 263 S N 0.380 116.105 115.700 0.041 0.000 2.587 263 S HA 0.222 4.692 4.470 0.001 0.000 0.269 263 S C -1.651 172.782 174.600 -0.278 0.000 1.154 263 S CA -0.978 57.215 58.200 -0.012 0.000 0.824 263 S CB 1.066 64.242 63.200 -0.041 0.000 1.118 263 S HN 0.257 nan 8.310 nan 0.000 0.462 264 K N 2.988 123.211 120.400 -0.295 0.000 2.405 264 K HA 0.061 4.382 4.320 0.001 0.000 0.273 264 K C -1.545 174.780 176.600 -0.459 0.000 1.116 264 K CA -0.624 55.319 56.287 -0.573 0.000 1.155 264 K CB 0.369 32.753 32.500 -0.193 0.000 0.858 264 K HN 0.398 nan 8.250 nan 0.000 0.477 265 P HA -0.119 nan 4.420 nan 0.000 0.217 265 P C 0.227 177.413 177.300 -0.191 0.000 1.154 265 P CA 1.140 64.062 63.100 -0.296 0.000 0.841 265 P CB 0.282 31.830 31.700 -0.254 0.000 0.788 266 I N 2.253 122.716 120.570 -0.178 0.000 2.297 266 I HA 0.212 4.383 4.170 0.001 0.000 0.291 266 I C 0.909 176.976 176.117 -0.084 0.000 1.033 266 I CA -0.922 60.320 61.300 -0.096 0.000 1.253 266 I CB 0.568 38.538 38.000 -0.050 0.000 1.396 266 I HN -0.110 nan 8.210 nan 0.000 0.476 267 I N 2.559 123.083 120.570 -0.077 0.000 2.947 267 I HA 0.740 4.911 4.170 0.001 0.000 0.314 267 I C 0.720 176.824 176.117 -0.022 0.000 1.028 267 I CA -0.667 60.599 61.300 -0.056 0.000 1.077 267 I CB 1.950 39.905 38.000 -0.075 0.000 1.274 267 I HN 0.489 nan 8.210 nan 0.000 0.485 268 A N 1.459 124.287 122.820 0.013 0.000 2.390 268 A HA 0.194 4.514 4.320 0.001 0.000 0.232 268 A C 0.719 178.349 177.584 0.077 0.000 1.233 268 A CA -0.124 51.957 52.037 0.072 0.000 0.907 268 A CB -0.331 18.736 19.000 0.111 0.000 0.967 268 A HN 0.837 nan 8.150 nan 0.000 0.512 269 E N 2.250 122.451 120.200 0.002 0.000 2.344 269 E HA 0.194 4.544 4.350 0.001 0.000 0.270 269 E C -2.356 174.170 176.600 -0.123 0.000 1.021 269 E CA -1.829 54.551 56.400 -0.033 0.000 0.887 269 E CB 0.972 30.641 29.700 -0.051 0.000 0.997 269 E HN 0.244 nan 8.360 nan 0.000 0.429 270 P HA 0.113 nan 4.420 nan 0.000 0.281 270 P C -1.128 176.041 177.300 -0.218 0.000 1.249 270 P CA -0.266 62.619 63.100 -0.357 0.000 0.810 270 P CB 1.051 32.185 31.700 -0.943 0.000 1.008 271 E N 2.170 122.306 120.200 -0.106 0.000 2.197 271 E HA 0.362 4.712 4.350 0.001 0.000 0.281 271 E C -0.587 175.846 176.600 -0.277 0.000 0.995 271 E CA -0.698 55.624 56.400 -0.130 0.000 0.808 271 E CB 0.478 30.228 29.700 0.082 0.000 1.093 271 E HN 0.255 nan 8.360 nan 0.000 0.394 272 I N 4.383 124.752 120.570 -0.334 0.000 2.412 272 I HA 0.263 4.433 4.170 0.001 0.000 0.296 272 I C -0.149 175.736 176.117 -0.388 0.000 0.987 272 I CA -0.655 60.499 61.300 -0.244 0.000 1.180 272 I CB 1.255 39.200 38.000 -0.092 0.000 1.340 272 I HN 0.611 nan 8.210 nan 0.000 0.455 273 H N 3.708 122.825 119.070 0.079 0.000 2.481 273 H HA 0.328 4.884 4.556 0.001 0.000 0.333 273 H C 1.063 176.434 175.328 0.071 0.000 1.066 273 H CA 0.281 56.367 56.048 0.062 0.000 1.209 273 H CB 1.838 31.620 29.762 0.034 0.000 1.445 273 H HN 0.885 nan 8.280 nan 0.000 0.488 274 G N 3.343 112.237 108.800 0.156 0.000 2.669 274 G HA2 -0.214 3.747 3.960 0.001 0.000 0.365 274 G HA3 -0.214 3.747 3.960 0.001 0.000 0.365 274 G C -0.030 174.908 174.900 0.064 0.000 1.119 274 G CA 1.628 46.780 45.100 0.086 0.000 0.908 274 G HN 1.442 nan 8.290 nan 0.000 0.615 275 A N -2.856 119.919 122.820 -0.075 0.000 0.909 275 A HA 0.478 4.798 4.320 0.001 0.000 0.189 275 A C -0.672 176.754 177.584 -0.263 0.000 0.906 275 A CA 0.249 52.070 52.037 -0.359 0.000 0.541 275 A CB -0.162 18.711 19.000 -0.212 0.000 0.393 275 A HN 0.822 nan 8.150 nan 0.000 0.323 276 Q N 3.121 122.746 119.800 -0.291 0.000 2.278 276 Q HA 0.491 4.831 4.340 0.001 0.000 0.257 276 Q C -2.470 173.397 176.000 -0.222 0.000 0.928 276 Q CA -1.614 54.065 55.803 -0.207 0.000 0.932 276 Q CB 2.230 30.862 28.738 -0.178 0.000 1.221 276 Q HN 0.640 nan 8.270 nan 0.000 0.434 277 P HA 0.195 nan 4.420 nan 0.000 0.284 277 P C -0.317 176.867 177.300 -0.193 0.000 1.253 277 P CA -0.258 62.750 63.100 -0.153 0.000 0.800 277 P CB 1.022 32.658 31.700 -0.108 0.000 0.961 278 L N 1.180 122.281 121.223 -0.204 0.000 3.069 278 L HA 0.275 4.615 4.340 0.001 0.000 0.271 278 L C 0.398 177.151 176.870 -0.196 0.000 1.201 278 L CA 0.001 54.666 54.840 -0.290 0.000 1.015 278 L CB 0.032 41.806 42.059 -0.475 0.000 1.371 278 L HN 0.176 nan 8.230 nan 0.000 0.574 279 D N 1.214 121.543 120.400 -0.119 0.000 2.390 279 D HA 0.277 4.917 4.640 0.001 0.000 0.249 279 D C 1.272 177.529 176.300 -0.072 0.000 1.144 279 D CA 1.132 55.088 54.000 -0.072 0.000 0.880 279 D CB 1.487 42.261 40.800 -0.043 0.000 1.182 279 D HN 0.284 nan 8.370 nan 0.000 0.451 280 G N 1.485 110.254 108.800 -0.052 0.000 2.166 280 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 280 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 280 G C 0.372 175.237 174.900 -0.058 0.000 0.986 280 G CA 0.571 45.645 45.100 -0.042 0.000 0.683 280 G HN 0.556 nan 8.290 nan 0.000 0.527 281 V N -0.096 119.761 119.914 -0.095 0.000 2.539 281 V HA 0.861 4.982 4.120 0.001 0.000 0.292 281 V C 0.135 176.193 176.094 -0.061 0.000 1.045 281 V CA 0.447 62.680 62.300 -0.111 0.000 0.945 281 V CB 2.047 33.752 31.823 -0.198 0.000 0.993 281 V HN 0.318 nan 8.190 nan 0.000 0.464 282 T N 5.233 119.773 114.554 -0.024 0.000 2.841 282 T HA 0.863 5.213 4.350 0.001 0.000 0.285 282 T C 0.044 174.760 174.700 0.026 0.000 0.991 282 T CA 0.411 62.547 62.100 0.059 0.000 0.966 282 T CB 1.051 69.971 68.868 0.086 0.000 0.962 282 T HN 1.514 nan 8.240 nan 0.000 0.438 283 G N 2.477 111.317 108.800 0.066 0.000 2.441 283 G HA2 0.454 4.415 3.960 0.001 0.000 0.222 283 G HA3 0.454 4.415 3.960 0.001 0.000 0.222 283 G C -2.100 172.810 174.900 0.017 0.000 1.254 283 G CA -0.401 44.578 45.100 -0.202 0.000 0.959 283 G HN 0.899 nan 8.290 nan 0.000 0.474 284 F N -1.558 118.305 119.950 -0.145 0.000 2.713 284 F HA 0.849 5.377 4.527 0.001 0.000 0.311 284 F C -1.296 174.483 175.800 -0.036 0.000 1.141 284 F CA -1.436 56.483 58.000 -0.134 0.000 0.939 284 F CB 1.604 40.486 39.000 -0.196 0.000 1.325 284 F HN 0.737 nan 8.300 nan 0.000 0.453 285 L N 2.414 123.653 121.223 0.027 0.000 2.317 285 L HA 0.870 5.211 4.340 0.001 0.000 0.281 285 L C -1.467 175.432 176.870 0.047 0.000 1.024 285 L CA -0.676 54.184 54.840 0.033 0.000 0.810 285 L CB 1.763 43.846 42.059 0.040 0.000 1.240 285 L HN 0.628 nan 8.230 nan 0.000 0.427 286 V N 6.270 126.214 119.914 0.050 0.000 2.459 286 V HA 0.503 4.624 4.120 0.001 0.000 0.295 286 V C -0.228 175.866 176.094 0.000 0.000 1.029 286 V CA -0.522 61.809 62.300 0.053 0.000 0.874 286 V CB 1.658 33.540 31.823 0.098 0.000 0.985 286 V HN 0.645 nan 8.190 nan 0.000 0.438 287 L N 6.417 127.627 121.223 -0.021 0.000 2.356 287 L HA 0.754 5.095 4.340 0.001 0.000 0.277 287 L C -0.404 176.462 176.870 -0.007 0.000 0.996 287 L CA -0.406 54.428 54.840 -0.009 0.000 0.822 287 L CB 1.711 43.763 42.059 -0.012 0.000 1.256 287 L HN 0.744 nan 8.230 nan 0.000 0.413 288 M N 1.450 121.066 119.600 0.027 0.000 2.531 288 M HA 0.632 5.113 4.480 0.001 0.000 0.286 288 M C -0.579 175.766 176.300 0.076 0.000 1.232 288 M CA -0.588 54.739 55.300 0.045 0.000 0.877 288 M CB 2.390 35.035 32.600 0.075 0.000 1.726 288 M HN 0.439 nan 8.290 nan 0.000 0.463 289 S N -0.276 115.449 115.700 0.042 0.000 2.632 289 S HA 0.230 4.701 4.470 0.001 0.000 0.271 289 S C 0.657 175.200 174.600 -0.095 0.000 1.260 289 S CA -0.112 58.098 58.200 0.017 0.000 1.010 289 S CB 1.590 64.802 63.200 0.021 0.000 0.965 289 S HN 1.000 nan 8.310 nan 0.000 0.534 290 E N 1.834 121.927 120.200 -0.179 0.000 2.171 290 E HA -0.158 4.193 4.350 0.001 0.000 0.197 290 E C 1.881 178.101 176.600 -0.634 0.000 0.997 290 E CA 1.402 57.455 56.400 -0.579 0.000 0.810 290 E CB -0.950 28.573 29.700 -0.295 0.000 0.738 290 E HN 0.930 nan 8.360 nan 0.000 0.467 291 G N 1.152 109.778 108.800 -0.289 0.000 2.422 291 G HA2 -0.241 3.719 3.960 0.001 0.000 0.218 291 G HA3 -0.241 3.719 3.960 0.001 0.000 0.218 291 G C 1.463 176.231 174.900 -0.220 0.000 1.140 291 G CA 0.709 45.685 45.100 -0.206 0.000 0.775 291 G HN 0.273 nan 8.290 nan 0.000 0.545 292 L N 0.564 121.673 121.223 -0.190 0.000 1.976 292 L HA -0.055 4.286 4.340 0.001 0.000 0.209 292 L C 2.774 179.600 176.870 -0.072 0.000 1.071 292 L CA 2.167 56.934 54.840 -0.122 0.000 0.746 292 L CB -0.943 41.088 42.059 -0.046 0.000 0.890 292 L HN 0.522 nan 8.230 nan 0.000 0.432 293 Y N -1.332 118.946 120.300 -0.038 0.000 2.314 293 Y HA -0.012 4.539 4.550 0.001 0.000 0.293 293 Y C 2.138 178.026 175.900 -0.020 0.000 1.129 293 Y CA 0.981 59.063 58.100 -0.028 0.000 1.201 293 Y CB -1.149 37.298 38.460 -0.022 0.000 0.999 293 Y HN 0.062 nan 8.280 nan 0.000 0.541 294 K N 0.680 120.948 120.400 -0.221 0.000 2.283 294 K HA -0.021 4.299 4.320 0.001 0.000 0.202 294 K C 2.248 178.852 176.600 0.007 0.000 1.048 294 K CA 0.883 57.127 56.287 -0.071 0.000 0.948 294 K CB -0.188 32.199 32.500 -0.188 0.000 0.742 294 K HN 0.535 nan 8.250 nan 0.000 0.458 295 A N 1.238 124.037 122.820 -0.034 0.000 1.898 295 A HA -0.049 4.272 4.320 0.001 0.000 0.214 295 A C 2.043 179.688 177.584 0.101 0.000 1.183 295 A CA 0.604 52.655 52.037 0.023 0.000 0.622 295 A CB -0.355 18.510 19.000 -0.224 0.000 0.824 295 A HN 0.148 nan 8.150 nan 0.000 0.444 296 L N -0.167 121.071 121.223 0.025 0.000 1.994 296 L HA -0.201 4.139 4.340 0.001 0.000 0.208 296 L C 2.556 179.442 176.870 0.028 0.000 1.071 296 L CA 1.926 56.754 54.840 -0.020 0.000 0.745 296 L CB -0.512 41.549 42.059 0.004 0.000 0.892 296 L HN 0.530 nan 8.230 nan 0.000 0.431 297 E N -0.364 119.886 120.200 0.083 0.000 2.204 297 E HA -0.190 4.161 4.350 0.001 0.000 0.195 297 E C 2.043 178.674 176.600 0.051 0.000 0.990 297 E CA 0.938 57.385 56.400 0.079 0.000 0.821 297 E CB -0.061 29.691 29.700 0.087 0.000 0.750 297 E HN 0.527 nan 8.360 nan 0.000 0.477 298 A N 1.300 124.170 122.820 0.085 0.000 2.014 298 A HA 0.053 4.374 4.320 0.001 0.000 0.218 298 A C 2.284 179.950 177.584 0.136 0.000 1.163 298 A CA 1.357 53.455 52.037 0.101 0.000 0.652 298 A CB -0.189 18.937 19.000 0.210 0.000 0.808 298 A HN 0.273 nan 8.150 nan 0.000 0.449 299 A N -1.389 121.499 122.820 0.113 0.000 1.887 299 A HA 0.029 4.350 4.320 0.001 0.000 0.212 299 A C 1.835 179.544 177.584 0.209 0.000 1.198 299 A CA 1.176 53.270 52.037 0.096 0.000 0.628 299 A CB -0.568 18.408 19.000 -0.040 0.000 0.847 299 A HN 0.682 nan 8.150 nan 0.000 0.449 300 H N -1.237 117.872 119.070 0.066 0.000 2.575 300 H HA 0.386 4.943 4.556 0.001 0.000 0.267 300 H C 0.937 176.277 175.328 0.019 0.000 0.966 300 H CA -0.164 55.910 56.048 0.043 0.000 1.165 300 H CB 0.403 30.189 29.762 0.039 0.000 1.433 300 H HN 0.715 nan 8.280 nan 0.000 0.544 301 G N 1.491 110.358 108.800 0.111 0.000 2.662 301 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 301 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 301 G C -2.843 172.061 174.900 0.007 0.000 1.271 301 G CA -1.402 43.707 45.100 0.015 0.000 0.816 301 G HN -0.069 nan 8.290 nan 0.000 0.608 302 P HA 0.290 nan 4.420 nan 0.000 0.263 302 P C 1.266 178.559 177.300 -0.012 0.000 1.168 302 P CA 2.213 65.297 63.100 -0.027 0.000 0.759 302 P CB 0.396 32.071 31.700 -0.042 0.000 0.782 303 G N 2.428 111.219 108.800 -0.016 0.000 2.200 303 G HA2 -0.323 3.638 3.960 0.001 0.000 0.267 303 G HA3 -0.323 3.638 3.960 0.001 0.000 0.267 303 G C 1.039 175.926 174.900 -0.020 0.000 0.993 303 G CA 0.210 45.291 45.100 -0.030 0.000 0.701 303 G HN 0.509 nan 8.290 nan 0.000 0.524 304 Q N -0.618 119.188 119.800 0.010 0.000 2.269 304 Q HA 0.288 4.629 4.340 0.001 0.000 0.201 304 Q C 2.930 178.953 176.000 0.037 0.000 0.946 304 Q CA 1.362 57.183 55.803 0.031 0.000 0.877 304 Q CB -0.532 28.253 28.738 0.078 0.000 0.963 304 Q HN 0.800 nan 8.270 nan 0.000 0.472 305 A N 2.104 124.943 122.820 0.032 0.000 1.892 305 A HA -0.261 4.059 4.320 0.001 0.000 0.218 305 A C 1.895 179.480 177.584 0.002 0.000 1.188 305 A CA 1.842 53.901 52.037 0.036 0.000 0.631 305 A CB -0.563 18.480 19.000 0.071 0.000 0.822 305 A HN 0.311 nan 8.150 nan 0.000 0.447 306 N N 0.343 119.010 118.700 -0.056 0.000 2.043 306 N HA -0.223 4.517 4.740 0.001 0.000 0.193 306 N C 2.031 177.527 175.510 -0.023 0.000 1.037 306 N CA 2.001 55.015 53.050 -0.061 0.000 0.851 306 N CB -0.711 37.712 38.487 -0.106 0.000 1.027 306 N HN 0.847 nan 8.380 nan 0.000 0.422 307 Q N 0.698 120.486 119.800 -0.020 0.000 2.050 307 Q HA -0.096 4.244 4.340 0.001 0.000 0.202 307 Q C 1.624 177.639 176.000 0.025 0.000 0.980 307 Q CA 1.304 57.103 55.803 -0.006 0.000 0.840 307 Q CB -0.487 28.245 28.738 -0.010 0.000 0.898 307 Q HN 0.412 nan 8.270 nan 0.000 0.424 308 E N 0.876 121.101 120.200 0.041 0.000 2.051 308 E HA -0.145 4.206 4.350 0.001 0.000 0.192 308 E C 2.097 178.738 176.600 0.068 0.000 0.991 308 E CA 1.283 57.724 56.400 0.069 0.000 0.799 308 E CB -0.120 29.646 29.700 0.110 0.000 0.748 308 E HN 0.392 nan 8.360 nan 0.000 0.449 309 I N 0.979 121.585 120.570 0.059 0.000 2.226 309 I HA -0.271 3.900 4.170 0.001 0.000 0.245 309 I C 2.494 178.665 176.117 0.089 0.000 1.100 309 I CA 0.972 62.309 61.300 0.060 0.000 1.374 309 I CB -0.218 37.815 38.000 0.054 0.000 1.057 309 I HN 0.084 nan 8.210 nan 0.000 0.413 310 A N 0.509 123.387 122.820 0.096 0.000 1.933 310 A HA -0.158 4.163 4.320 0.001 0.000 0.218 310 A C 2.498 180.191 177.584 0.183 0.000 1.175 310 A CA 1.822 53.960 52.037 0.169 0.000 0.628 310 A CB -0.769 18.272 19.000 0.068 0.000 0.814 310 A HN 0.438 nan 8.150 nan 0.000 0.444 311 A N -0.646 122.241 122.820 0.111 0.000 1.930 311 A HA -0.041 4.280 4.320 0.001 0.000 0.217 311 A C 2.221 179.867 177.584 0.103 0.000 1.175 311 A CA 1.624 53.724 52.037 0.104 0.000 0.627 311 A CB -0.501 18.541 19.000 0.070 0.000 0.815 311 A HN 0.518 nan 8.150 nan 0.000 0.443 312 M N -0.717 118.932 119.600 0.082 0.000 2.117 312 M HA -0.095 4.386 4.480 0.001 0.000 0.262 312 M C 2.018 178.347 176.300 0.048 0.000 1.065 312 M CA 1.516 56.850 55.300 0.056 0.000 1.114 312 M CB -0.485 32.138 32.600 0.037 0.000 1.361 312 M HN 0.385 nan 8.290 nan 0.000 0.408 313 I N -0.136 120.469 120.570 0.058 0.000 2.252 313 I HA -0.280 3.890 4.170 0.001 0.000 0.245 313 I C 2.229 178.412 176.117 0.111 0.000 1.102 313 I CA 1.056 62.356 61.300 -0.001 0.000 1.385 313 I CB -0.475 37.483 38.000 -0.072 0.000 1.064 313 I HN 0.280 nan 8.210 nan 0.000 0.414 314 D N 0.711 121.230 120.400 0.198 0.000 2.092 314 D HA -0.184 4.457 4.640 0.001 0.000 0.193 314 D C 2.111 178.566 176.300 0.259 0.000 0.994 314 D CA 1.902 56.081 54.000 0.298 0.000 0.828 314 D CB -0.114 40.844 40.800 0.263 0.000 0.963 314 D HN 0.178 nan 8.370 nan 0.000 0.450 315 T N 1.028 115.675 114.554 0.155 0.000 2.607 315 T HA -0.160 4.190 4.350 0.001 0.000 0.267 315 T C 1.626 176.376 174.700 0.084 0.000 1.049 315 T CA 1.491 63.652 62.100 0.101 0.000 1.162 315 T CB -0.265 68.641 68.868 0.064 0.000 0.863 315 T HN 0.196 nan 8.240 nan 0.000 0.424 316 E N 0.490 120.717 120.200 0.045 0.000 2.204 316 E HA -0.042 4.308 4.350 0.001 0.000 0.195 316 E C 1.852 178.429 176.600 -0.038 0.000 0.990 316 E CA 0.610 56.994 56.400 -0.028 0.000 0.821 316 E CB -0.488 29.151 29.700 -0.101 0.000 0.750 316 E HN 0.511 nan 8.360 nan 0.000 0.477 317 F N 1.095 121.002 119.950 -0.071 0.000 2.250 317 F HA -0.189 4.339 4.527 0.001 0.000 0.301 317 F C 2.289 178.047 175.800 -0.070 0.000 1.077 317 F CA 1.224 59.183 58.000 -0.068 0.000 1.348 317 F CB -0.124 38.892 39.000 0.027 0.000 1.040 317 F HN 0.016 nan 8.300 nan 0.000 0.509 318 A N -0.674 122.225 122.820 0.132 0.000 1.975 318 A HA -0.073 4.247 4.320 0.001 0.000 0.215 318 A C 2.121 179.711 177.584 0.010 0.000 1.170 318 A CA 1.048 53.115 52.037 0.049 0.000 0.656 318 A CB -0.236 18.782 19.000 0.030 0.000 0.821 318 A HN 0.329 nan 8.150 nan 0.000 0.449 319 K N -0.424 119.973 120.400 -0.006 0.000 2.063 319 K HA 0.060 4.381 4.320 0.001 0.000 0.204 319 K C 0.280 176.851 176.600 -0.048 0.000 1.039 319 K CA 0.208 56.480 56.287 -0.025 0.000 0.957 319 K CB -0.207 32.277 32.500 -0.027 0.000 0.764 319 K HN 0.313 nan 8.250 nan 0.000 0.447 320 Q N 1.024 120.775 119.800 -0.082 0.000 2.479 320 Q HA -0.034 4.306 4.340 0.001 0.000 0.267 320 Q C 0.942 176.880 176.000 -0.103 0.000 1.071 320 Q CA 0.815 56.552 55.803 -0.110 0.000 0.935 320 Q CB 0.550 29.184 28.738 -0.173 0.000 1.295 320 Q HN 0.406 nan 8.270 nan 0.000 0.476 321 T N -3.406 111.092 114.554 -0.093 0.000 3.092 321 T HA 0.249 4.600 4.350 0.001 0.000 0.258 321 T C 0.404 175.051 174.700 -0.088 0.000 1.031 321 T CA 0.157 62.212 62.100 -0.074 0.000 0.925 321 T CB 0.106 68.945 68.868 -0.049 0.000 1.036 321 T HN 0.491 nan 8.240 nan 0.000 0.544 322 S N -0.302 115.319 115.700 -0.132 0.000 2.596 322 S HA 0.566 5.036 4.470 0.001 0.000 0.270 322 S C 0.340 174.799 174.600 -0.234 0.000 1.155 322 S CA -1.037 57.078 58.200 -0.143 0.000 0.827 322 S CB 0.918 64.054 63.200 -0.107 0.000 1.130 322 S HN 0.067 nan 8.310 nan 0.000 0.467 323 L N 0.825 121.899 121.223 -0.247 0.000 2.291 323 L HA 0.018 4.358 4.340 0.001 0.000 0.214 323 L C 1.777 178.459 176.870 -0.313 0.000 1.120 323 L CA 0.971 55.600 54.840 -0.351 0.000 0.799 323 L CB -0.506 41.375 42.059 -0.297 0.000 0.925 323 L HN 0.716 nan 8.230 nan 0.000 0.446 324 D N 0.602 120.861 120.400 -0.236 0.000 2.097 324 D HA -0.142 4.499 4.640 0.001 0.000 0.197 324 D C 2.254 178.431 176.300 -0.204 0.000 0.984 324 D CA 1.529 55.398 54.000 -0.219 0.000 0.826 324 D CB 0.128 40.830 40.800 -0.164 0.000 0.973 324 D HN 0.315 nan 8.370 nan 0.000 0.460 325 A N 1.155 123.865 122.820 -0.183 0.000 1.902 325 A HA -0.133 4.188 4.320 0.001 0.000 0.217 325 A C 2.600 180.064 177.584 -0.200 0.000 1.181 325 A CA 1.155 53.095 52.037 -0.161 0.000 0.623 325 A CB -0.849 18.070 19.000 -0.135 0.000 0.818 325 A HN 0.107 nan 8.150 nan 0.000 0.443 326 V N -0.036 119.708 119.914 -0.283 0.000 2.219 326 V HA -0.332 3.788 4.120 0.001 0.000 0.248 326 V C 3.092 179.015 176.094 -0.284 0.000 1.053 326 V CA 2.340 64.428 62.300 -0.353 0.000 1.009 326 V CB -1.380 30.062 31.823 -0.635 0.000 0.636 326 V HN 0.637 nan 8.190 nan 0.000 0.445 327 A N -0.894 121.750 122.820 -0.294 0.000 1.908 327 A HA -0.310 4.011 4.320 0.001 0.000 0.218 327 A C 2.158 179.633 177.584 -0.182 0.000 1.181 327 A CA 2.310 54.204 52.037 -0.239 0.000 0.627 327 A CB -0.576 18.263 19.000 -0.267 0.000 0.818 327 A HN 0.572 nan 8.150 nan 0.000 0.445 328 Q N -0.374 119.323 119.800 -0.172 0.000 2.123 328 Q HA 0.059 4.399 4.340 0.001 0.000 0.199 328 Q C 2.043 177.982 176.000 -0.102 0.000 0.966 328 Q CA 1.830 57.557 55.803 -0.126 0.000 0.845 328 Q CB -0.571 28.101 28.738 -0.111 0.000 0.907 328 Q HN 0.556 nan 8.270 nan 0.000 0.439 329 A N -0.595 122.159 122.820 -0.110 0.000 1.902 329 A HA -0.145 4.176 4.320 0.001 0.000 0.217 329 A C 2.234 179.774 177.584 -0.074 0.000 1.181 329 A CA 1.717 53.704 52.037 -0.084 0.000 0.623 329 A CB -0.867 18.079 19.000 -0.091 0.000 0.818 329 A HN 0.268 nan 8.150 nan 0.000 0.443 330 V N -0.407 119.453 119.914 -0.090 0.000 2.343 330 V HA -0.224 3.896 4.120 0.001 0.000 0.247 330 V C 2.573 178.627 176.094 -0.066 0.000 1.051 330 V CA 1.926 64.185 62.300 -0.069 0.000 1.036 330 V CB -0.804 30.975 31.823 -0.074 0.000 0.654 330 V HN 0.372 nan 8.190 nan 0.000 0.451 331 V N 0.321 120.186 119.914 -0.081 0.000 2.287 331 V HA -0.277 3.844 4.120 0.001 0.000 0.248 331 V C 2.313 178.363 176.094 -0.074 0.000 1.053 331 V CA 2.254 64.504 62.300 -0.083 0.000 1.027 331 V CB -0.745 31.027 31.823 -0.085 0.000 0.646 331 V HN 0.565 nan 8.190 nan 0.000 0.447 332 D N -0.392 119.973 120.400 -0.058 0.000 2.123 332 D HA -0.181 4.460 4.640 0.001 0.000 0.196 332 D C 2.307 178.590 176.300 -0.029 0.000 0.992 332 D CA 1.289 55.267 54.000 -0.037 0.000 0.833 332 D CB -0.265 40.517 40.800 -0.030 0.000 0.954 332 D HN 0.333 nan 8.370 nan 0.000 0.455 333 R N 0.460 120.942 120.500 -0.031 0.000 2.073 333 R HA -0.103 4.238 4.340 0.001 0.000 0.234 333 R C 2.285 178.571 176.300 -0.023 0.000 1.134 333 R CA 0.870 56.960 56.100 -0.017 0.000 0.952 333 R CB -0.186 30.106 30.300 -0.013 0.000 0.850 333 R HN 0.018 nan 8.270 nan 0.000 0.433 334 V N 2.220 122.105 119.914 -0.048 0.000 2.407 334 V HA -0.274 3.847 4.120 0.001 0.000 0.248 334 V C 2.081 178.131 176.094 -0.072 0.000 1.055 334 V CA 2.182 64.439 62.300 -0.071 0.000 1.049 334 V CB -0.475 31.291 31.823 -0.096 0.000 0.662 334 V HN 0.487 nan 8.190 nan 0.000 0.455 335 K N 0.547 120.894 120.400 -0.087 0.000 2.228 335 K HA -0.139 4.181 4.320 0.001 0.000 0.202 335 K C 2.244 178.892 176.600 0.080 0.000 1.051 335 K CA 1.159 57.410 56.287 -0.060 0.000 0.960 335 K CB -0.215 32.237 32.500 -0.081 0.000 0.743 335 K HN 0.308 nan 8.250 nan 0.000 0.458 336 R N 1.526 122.053 120.500 0.046 0.000 2.073 336 R HA 0.033 4.374 4.340 0.001 0.000 0.229 336 R C 2.259 178.595 176.300 0.060 0.000 1.120 336 R CA 0.868 57.001 56.100 0.056 0.000 0.967 336 R CB -0.227 30.092 30.300 0.032 0.000 0.862 336 R HN 0.147 nan 8.270 nan 0.000 0.436 337 I N 0.289 120.883 120.570 0.040 0.000 2.151 337 I HA -0.385 3.785 4.170 0.001 0.000 0.243 337 I C 2.637 178.787 176.117 0.055 0.000 1.080 337 I CA 1.704 63.018 61.300 0.023 0.000 1.339 337 I CB -0.591 37.367 38.000 -0.070 0.000 1.039 337 I HN 0.422 nan 8.210 nan 0.000 0.409 338 H N 0.081 119.151 119.070 0.000 0.000 2.321 338 H HA -0.171 4.386 4.556 0.001 0.000 0.300 338 H C 2.470 177.886 175.328 0.147 0.000 1.087 338 H CA 2.061 58.163 56.048 0.091 0.000 1.319 338 H CB 0.074 29.896 29.762 0.100 0.000 1.379 338 H HN 0.227 nan 8.280 nan 0.000 0.501 339 S N -0.132 115.723 115.700 0.259 0.000 2.356 339 S HA -0.139 4.332 4.470 0.001 0.000 0.223 339 S C 1.710 176.253 174.600 -0.095 0.000 1.032 339 S CA 1.616 59.785 58.200 -0.052 0.000 1.005 339 S CB -0.189 63.014 63.200 0.005 0.000 0.867 339 S HN 0.452 nan 8.310 nan 0.000 0.449 340 D N 0.673 121.066 120.400 -0.012 0.000 2.097 340 D HA -0.061 4.580 4.640 0.001 0.000 0.195 340 D C 2.130 178.421 176.300 -0.015 0.000 0.989 340 D CA 1.624 55.615 54.000 -0.014 0.000 0.827 340 D CB -1.038 39.769 40.800 0.012 0.000 0.966 340 D HN 0.397 nan 8.370 nan 0.000 0.456 341 T N 0.535 115.091 114.554 0.004 0.000 2.699 341 T HA -0.204 4.147 4.350 0.001 0.000 0.268 341 T C 1.724 176.427 174.700 0.006 0.000 1.036 341 T CA 1.020 63.126 62.100 0.010 0.000 1.147 341 T CB -0.482 68.395 68.868 0.016 0.000 0.862 341 T HN 0.145 nan 8.240 nan 0.000 0.446 342 F N 1.997 121.842 119.950 -0.176 0.000 2.113 342 F HA 0.102 4.630 4.527 0.001 0.000 0.297 342 F C 2.461 178.173 175.800 -0.148 0.000 1.103 342 F CA 0.879 58.784 58.000 -0.158 0.000 1.248 342 F CB -0.777 38.100 39.000 -0.204 0.000 0.999 342 F HN 0.135 nan 8.300 nan 0.000 0.475 343 A N 0.181 122.943 122.820 -0.096 0.000 1.892 343 A HA -0.201 4.119 4.320 0.001 0.000 0.218 343 A C 2.186 179.658 177.584 -0.186 0.000 1.188 343 A CA 2.154 54.096 52.037 -0.159 0.000 0.631 343 A CB -1.507 17.447 19.000 -0.078 0.000 0.822 343 A HN 0.576 nan 8.150 nan 0.000 0.447 344 S N -1.552 114.070 115.700 -0.131 0.000 2.110 344 S HA 0.385 4.856 4.470 0.001 0.000 0.152 344 S C 1.334 175.838 174.600 -0.160 0.000 1.404 344 S CA 1.160 59.295 58.200 -0.109 0.000 2.390 344 S CB -0.596 62.567 63.200 -0.062 0.000 0.276 344 S HN 1.569 nan 8.310 nan 0.000 0.349 345 G N -1.058 107.664 108.800 -0.129 0.000 4.589 345 G HA2 0.291 4.251 3.960 0.001 0.000 0.218 345 G HA3 0.291 4.251 3.960 0.001 0.000 0.218 345 G C 0.299 175.139 174.900 -0.100 0.000 0.678 345 G CA -0.071 44.937 45.100 -0.152 0.000 0.859 345 G HN 1.019 nan 8.290 nan 0.000 0.650 346 G N 1.178 109.941 108.800 -0.062 0.000 2.588 346 G HA2 0.472 4.432 3.960 0.001 0.000 0.297 346 G HA3 0.472 4.432 3.960 0.001 0.000 0.297 346 G C 0.681 175.570 174.900 -0.018 0.000 0.874 346 G CA 1.296 46.376 45.100 -0.033 0.000 1.607 346 G HN 0.861 nan 8.290 nan 0.000 0.486 347 E N 1.758 121.932 120.200 -0.042 0.000 3.673 347 E HA -0.424 3.927 4.350 0.001 0.000 0.332 347 E C 2.053 178.605 176.600 -0.080 0.000 1.360 347 E CA 2.352 58.723 56.400 -0.047 0.000 1.757 347 E CB -1.130 28.588 29.700 0.031 0.000 1.646 347 E HN 0.424 nan 8.360 nan 0.000 0.353 348 R N 0.906 121.454 120.500 0.080 0.000 2.295 348 R HA -0.230 4.111 4.340 0.001 0.000 0.265 348 R C 2.271 178.630 176.300 0.098 0.000 1.203 348 R CA 1.556 57.804 56.100 0.247 0.000 1.023 348 R CB -0.902 29.567 30.300 0.282 0.000 0.880 348 R HN 0.497 nan 8.270 nan 0.000 0.481 349 A N 2.325 125.135 122.820 -0.017 0.000 1.917 349 A HA -0.260 4.061 4.320 0.001 0.000 0.219 349 A C 2.213 179.814 177.584 0.027 0.000 1.182 349 A CA 1.893 53.921 52.037 -0.015 0.000 0.633 349 A CB -0.547 18.358 19.000 -0.159 0.000 0.819 349 A HN 0.543 nan 8.150 nan 0.000 0.448 350 R N -1.891 118.500 120.500 -0.182 0.000 2.200 350 R HA -0.090 4.251 4.340 0.001 0.000 0.234 350 R C 1.103 177.315 176.300 -0.148 0.000 1.127 350 R CA 1.727 57.695 56.100 -0.220 0.000 0.989 350 R CB -0.631 29.399 30.300 -0.450 0.000 0.869 350 R HN 0.429 nan 8.270 nan 0.000 0.459 351 F N 0.344 120.359 119.950 0.109 0.000 2.789 351 F HA 0.184 4.711 4.527 0.001 0.000 0.300 351 F C 0.771 176.641 175.800 0.116 0.000 1.132 351 F CA -0.739 57.321 58.000 0.100 0.000 1.404 351 F CB 0.402 39.449 39.000 0.078 0.000 1.114 351 F HN 0.032 nan 8.300 nan 0.000 0.584 352 C N 1.906 121.362 119.300 0.260 0.000 2.667 352 C HA 0.263 4.723 4.460 0.001 0.000 0.261 352 C C -0.936 174.176 174.990 0.204 0.000 1.590 352 C CA -1.039 58.045 59.018 0.110 0.000 1.668 352 C CB -0.646 26.847 27.740 -0.412 0.000 2.962 352 C HN 0.126 nan 8.230 nan 0.000 0.525 353 P HA -0.088 nan 4.420 nan 0.000 0.229 353 P C 0.336 177.461 177.300 -0.291 0.000 1.160 353 P CA 1.358 64.391 63.100 -0.113 0.000 0.777 353 P CB 0.606 32.344 31.700 0.063 0.000 0.814 354 R N -0.912 119.508 120.500 -0.135 0.000 2.752 354 R HA 0.494 4.835 4.340 0.001 0.000 0.277 354 R C -1.449 174.744 176.300 -0.178 0.000 1.024 354 R CA -0.806 55.053 56.100 -0.401 0.000 0.866 354 R CB 0.609 30.718 30.300 -0.318 0.000 1.278 354 R HN 0.046 nan 8.270 nan 0.000 0.473 355 H N -1.720 117.104 119.070 -0.409 0.000 3.008 355 H HA 0.567 5.123 4.556 0.001 0.000 0.354 355 H C -1.252 173.904 175.328 -0.286 0.000 1.252 355 H CA -1.035 54.773 56.048 -0.400 0.000 1.117 355 H CB 1.609 30.915 29.762 -0.759 0.000 1.857 355 H HN 0.570 nan 8.280 nan 0.000 0.547 356 E N 0.334 120.554 120.200 0.033 0.000 2.302 356 E HA 0.187 4.537 4.350 0.001 0.000 0.255 356 E C -0.398 176.250 176.600 0.081 0.000 1.099 356 E CA -0.664 55.740 56.400 0.007 0.000 0.929 356 E CB 0.663 30.359 29.700 -0.006 0.000 1.203 356 E HN 0.669 nan 8.360 nan 0.000 0.459 357 D N 0.947 121.366 120.400 0.033 0.000 2.449 357 D HA 0.057 4.698 4.640 0.001 0.000 0.236 357 D C -0.007 176.308 176.300 0.025 0.000 1.149 357 D CA 0.856 54.882 54.000 0.044 0.000 0.878 357 D CB 0.417 41.260 40.800 0.073 0.000 1.198 357 D HN 0.186 nan 8.370 nan 0.000 0.446 358 M N 0.864 120.475 119.600 0.018 0.000 2.393 358 M HA 0.326 4.806 4.480 0.001 0.000 0.299 358 M C -0.666 175.636 176.300 0.003 0.000 1.103 358 M CA -0.567 54.719 55.300 -0.023 0.000 0.910 358 M CB 2.546 35.096 32.600 -0.083 0.000 1.659 358 M HN 0.032 nan 8.290 nan 0.000 0.445 359 T N 3.112 117.667 114.554 0.001 0.000 2.952 359 T HA 0.704 5.055 4.350 0.001 0.000 0.305 359 T C -1.658 173.014 174.700 -0.046 0.000 1.064 359 T CA -0.596 61.504 62.100 0.000 0.000 1.008 359 T CB 2.084 71.009 68.868 0.096 0.000 1.078 359 T HN 0.558 nan 8.240 nan 0.000 0.459 360 L N 3.765 124.919 121.223 -0.114 0.000 2.441 360 L HA 0.727 5.068 4.340 0.001 0.000 0.270 360 L C -1.647 175.099 176.870 -0.206 0.000 0.973 360 L CA -0.661 54.106 54.840 -0.121 0.000 0.842 360 L CB 1.458 43.453 42.059 -0.108 0.000 1.239 360 L HN 0.724 nan 8.230 nan 0.000 0.406 361 L N 5.710 126.824 121.223 -0.182 0.000 2.329 361 L HA 0.846 5.187 4.340 0.001 0.000 0.279 361 L C -1.402 175.348 176.870 -0.200 0.000 1.014 361 L CA -0.633 54.063 54.840 -0.239 0.000 0.814 361 L CB 1.897 43.846 42.059 -0.184 0.000 1.257 361 L HN 0.477 nan 8.230 nan 0.000 0.424 362 V N 4.361 124.125 119.914 -0.250 0.000 2.531 362 V HA 0.540 4.661 4.120 0.001 0.000 0.301 362 V C -0.607 175.296 176.094 -0.318 0.000 1.034 362 V CA -0.669 61.499 62.300 -0.221 0.000 0.865 362 V CB 1.707 33.385 31.823 -0.241 0.000 0.995 362 V HN 0.719 nan 8.190 nan 0.000 0.424 363 R N 4.104 124.364 120.500 -0.400 0.000 2.343 363 R HA 0.443 4.783 4.340 0.001 0.000 0.320 363 R C -0.539 175.355 176.300 -0.677 0.000 0.956 363 R CA -0.528 55.178 56.100 -0.655 0.000 0.836 363 R CB 0.725 30.431 30.300 -0.989 0.000 1.151 363 R HN 0.700 nan 8.270 nan 0.000 0.450 364 N N 3.291 121.685 118.700 -0.510 0.000 2.499 364 N HA 0.224 4.964 4.740 0.001 0.000 0.281 364 N C -1.335 173.880 175.510 -0.492 0.000 1.098 364 N CA -0.156 52.708 53.050 -0.310 0.000 0.979 364 N CB 0.368 38.857 38.487 0.004 0.000 1.121 364 N HN 0.452 nan 8.380 nan 0.000 0.466 365 F N 1.662 121.639 119.950 0.045 0.000 2.471 365 F HA 0.364 4.892 4.527 0.001 0.000 0.318 365 F C 1.374 177.193 175.800 0.033 0.000 1.308 365 F CA -0.773 57.224 58.000 -0.004 0.000 1.162 365 F CB 0.516 39.488 39.000 -0.047 0.000 1.383 365 F HN 0.689 nan 8.300 nan 0.000 0.552 366 G N 0.011 108.925 108.800 0.189 0.000 2.168 366 G HA2 -0.374 3.586 3.960 0.001 0.000 0.263 366 G HA3 -0.374 3.586 3.960 0.001 0.000 0.263 366 G C 0.154 175.146 174.900 0.153 0.000 0.977 366 G CA -0.153 45.033 45.100 0.143 0.000 0.659 366 G HN 0.427 nan 8.290 nan 0.000 0.533 367 Y N 1.914 122.200 120.300 -0.023 0.000 2.511 367 Y HA 0.456 5.007 4.550 0.001 0.000 0.332 367 Y C -1.670 174.176 175.900 -0.090 0.000 1.177 367 Y CA -1.860 56.144 58.100 -0.160 0.000 1.422 367 Y CB 0.731 38.909 38.460 -0.471 0.000 1.271 367 Y HN 0.071 nan 8.280 nan 0.000 0.550 368 P HA 0.098 nan 4.420 nan 0.000 0.271 368 P C -1.377 175.922 177.300 -0.002 0.000 1.216 368 P CA -0.142 62.850 63.100 -0.180 0.000 0.771 368 P CB 0.588 32.129 31.700 -0.265 0.000 0.864 369 L N 3.568 124.856 121.223 0.108 0.000 2.345 369 L HA 0.518 4.859 4.340 0.001 0.000 0.274 369 L C 1.114 178.010 176.870 0.044 0.000 0.999 369 L CA 0.300 55.240 54.840 0.167 0.000 0.849 369 L CB 0.229 42.361 42.059 0.122 0.000 1.220 369 L HN 0.671 nan 8.230 nan 0.000 0.422 370 G N 3.215 112.033 108.800 0.031 0.000 2.674 370 G HA2 -0.152 3.809 3.960 0.001 0.000 0.367 370 G HA3 -0.152 3.809 3.960 0.001 0.000 0.367 370 G C 0.259 175.153 174.900 -0.010 0.000 1.087 370 G CA 2.065 47.163 45.100 -0.003 0.000 0.898 370 G HN 1.363 nan 8.290 nan 0.000 0.652 371 E N 0.000 120.193 120.200 -0.012 0.000 2.725 371 E HA 0.000 4.351 4.350 0.001 0.000 0.291 371 E CA 0.000 nan 56.400 nan 0.000 0.976 371 E CB 0.000 nan 29.700 nan 0.000 0.812 371 E HN 0.000 nan 8.360 nan 0.000 0.440