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 1aip_1_B DATA FIRST_RESID 9 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AALTYVTAAE NPXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXTAHV EYETAKRHYS HVDCPGHADY IKNMITGAAQ MDGAILVVSA DATA SEQUENCE ADGPMPQTRE HILLARQVGV PYIVVFMNKV DMVDDPELLD LVEMEVRDLL DATA SEQUENCE NQYEFPGDEV PVIRGSALLA LEQMHRNPKT RRGENEWVDK IWELLDAIDE DATA SEQUENCE YIPTPVRDVD KPFLMPVEDV FTITGRGTVA TGRIERGKVK VGDEVEIVGL DATA SEQUENCE APETRRTVVT GVEMHRKTLQ EGIAGDNVGV LLRGVSREEV ERGQVLAKPG DATA SEQUENCE SITPHTKFEA SVYVLKKEEG GRHTGFFSGY RPQFYFRTTD VTGVVQLPPG DATA SEQUENCE VEMVMPGDNV TFTVELIKPV ALEEGLRFAI REGGRTVGAG VVTKILE 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.596 176.600 -0.007 0.000 0.988 9 K CA 0.000 56.289 56.287 0.003 0.000 0.838 9 K CB 0.000 32.509 32.500 0.015 0.000 1.064 10 P HA -0.109 nan 4.420 nan 0.000 0.267 10 P C -1.130 176.146 177.300 -0.040 0.000 1.175 10 P CA 0.269 63.358 63.100 -0.018 0.000 0.763 10 P CB 0.235 31.919 31.700 -0.027 0.000 0.795 11 H N 1.217 120.227 119.070 -0.100 0.000 2.572 11 H HA 0.609 5.165 4.556 0.000 0.000 0.359 11 H C -1.312 173.961 175.328 -0.092 0.000 1.134 11 H CA -0.619 55.362 56.048 -0.112 0.000 1.187 11 H CB 1.454 31.154 29.762 -0.104 0.000 1.597 11 H HN 0.082 nan 8.280 nan 0.000 0.524 12 V N 4.014 123.773 119.914 -0.258 0.000 3.049 12 V HA 0.231 4.351 4.120 0.000 0.000 0.309 12 V C -0.735 175.422 176.094 0.105 0.000 1.148 12 V CA -0.991 61.330 62.300 0.036 0.000 0.990 12 V CB 2.417 34.291 31.823 0.085 0.000 1.039 12 V HN 0.786 nan 8.190 nan 0.000 0.430 13 N N 1.281 120.085 118.700 0.174 0.000 2.408 13 N HA 0.722 5.462 4.740 0.000 0.000 0.280 13 N C -0.942 174.639 175.510 0.119 0.000 1.002 13 N CA -0.462 52.675 53.050 0.146 0.000 0.907 13 N CB 2.114 40.675 38.487 0.123 0.000 1.161 13 N HN 0.648 nan 8.380 nan 0.000 0.488 14 V N -1.156 118.809 119.914 0.084 0.000 2.925 14 V HA 1.011 5.131 4.120 0.000 0.000 0.311 14 V C 0.123 176.234 176.094 0.028 0.000 1.104 14 V CA -0.820 61.507 62.300 0.045 0.000 0.954 14 V CB 1.549 33.370 31.823 -0.002 0.000 1.022 14 V HN 0.603 nan 8.190 nan 0.000 0.427 15 G N 1.112 109.912 108.800 -0.001 0.000 2.605 15 G HA2 0.767 4.727 3.960 0.000 0.000 0.296 15 G HA3 0.767 4.727 3.960 0.000 0.000 0.296 15 G C -0.564 174.298 174.900 -0.063 0.000 1.304 15 G CA -0.248 44.839 45.100 -0.021 0.000 0.941 15 G HN 1.312 nan 8.290 nan 0.000 0.475 16 T N -0.420 114.090 114.554 -0.073 0.000 2.779 16 T HA 0.663 5.013 4.350 0.000 0.000 0.280 16 T C -0.029 174.585 174.700 -0.145 0.000 0.987 16 T CA -0.663 61.377 62.100 -0.099 0.000 0.966 16 T CB 1.451 70.268 68.868 -0.084 0.000 0.933 16 T HN 0.918 nan 8.240 nan 0.000 0.442 17 I N -0.930 119.529 120.570 -0.184 0.000 2.828 17 I HA 0.975 5.145 4.170 0.000 0.000 0.302 17 I C -0.026 175.883 176.117 -0.347 0.000 1.101 17 I CA -0.726 60.388 61.300 -0.310 0.000 1.031 17 I CB 1.344 39.140 38.000 -0.340 0.000 1.231 17 I HN 1.182 nan 8.210 nan 0.000 0.427 18 G N 2.770 111.194 108.800 -0.627 0.000 2.351 18 G HA2 0.009 3.969 3.960 0.000 0.000 0.353 18 G HA3 0.009 3.969 3.960 0.000 0.000 0.353 18 G C -1.361 173.474 174.900 -0.109 0.000 1.358 18 G CA -0.912 43.993 45.100 -0.325 0.000 0.995 18 G HN 1.152 nan 8.290 nan 0.000 0.611 19 H N 0.327 119.393 119.070 -0.006 0.000 3.034 19 H HA 0.185 4.741 4.556 0.000 0.000 0.324 19 H C 2.004 177.259 175.328 -0.122 0.000 1.015 19 H CA 1.106 57.062 56.048 -0.152 0.000 1.429 19 H CB 1.295 30.704 29.762 -0.589 0.000 1.429 19 H HN 0.395 nan 8.280 nan 0.000 0.585 20 V N 3.789 123.654 119.914 -0.081 0.000 2.515 20 V HA -0.197 3.923 4.120 0.000 0.000 0.250 20 V C 1.576 177.760 176.094 0.150 0.000 1.058 20 V CA 1.719 64.029 62.300 0.016 0.000 1.064 20 V CB -0.204 31.584 31.823 -0.058 0.000 0.675 20 V HN 0.669 nan 8.190 nan 0.000 0.461 21 D N -0.858 119.750 120.400 0.347 0.000 2.352 21 D HA -0.035 4.605 4.640 0.000 0.000 0.232 21 D C 1.591 178.050 176.300 0.265 0.000 1.055 21 D CA 0.730 54.872 54.000 0.235 0.000 0.891 21 D CB -0.297 40.615 40.800 0.188 0.000 0.897 21 D HN 0.636 nan 8.370 nan 0.000 0.529 22 H N -1.080 118.057 119.070 0.112 0.000 2.551 22 H HA 0.220 4.776 4.556 0.000 0.000 0.271 22 H C 1.237 176.585 175.328 0.033 0.000 0.984 22 H CA 0.075 56.150 56.048 0.045 0.000 1.164 22 H CB 0.931 30.733 29.762 0.067 0.000 1.437 22 H HN 0.154 nan 8.280 nan 0.000 0.550 23 G N 2.384 111.269 108.800 0.142 0.000 2.136 23 G HA2 -0.361 3.599 3.960 0.000 0.000 0.242 23 G HA3 -0.361 3.599 3.960 0.000 0.000 0.242 23 G C 1.359 176.272 174.900 0.022 0.000 0.989 23 G CA 0.576 45.710 45.100 0.057 0.000 0.682 23 G HN 0.548 nan 8.290 nan 0.000 0.522 24 K N -0.639 119.780 120.400 0.032 0.000 2.160 24 K HA -0.132 4.188 4.320 0.000 0.000 0.206 24 K C 1.983 178.546 176.600 -0.061 0.000 1.047 24 K CA 1.982 58.256 56.287 -0.022 0.000 0.930 24 K CB -0.622 31.859 32.500 -0.031 0.000 0.720 24 K HN 0.307 nan 8.250 nan 0.000 0.450 25 T N 1.177 115.702 114.554 -0.047 0.000 2.737 25 T HA -0.084 4.266 4.350 0.000 0.000 0.265 25 T C 1.908 176.553 174.700 -0.090 0.000 1.038 25 T CA 1.876 63.940 62.100 -0.061 0.000 1.144 25 T CB -0.410 68.432 68.868 -0.043 0.000 0.866 25 T HN 0.382 nan 8.240 nan 0.000 0.434 26 T N 2.636 117.139 114.554 -0.085 0.000 2.708 26 T HA -0.038 4.312 4.350 0.000 0.000 0.266 26 T C 1.934 176.528 174.700 -0.177 0.000 1.037 26 T CA 0.959 62.987 62.100 -0.120 0.000 1.146 26 T CB -0.530 68.283 68.868 -0.091 0.000 0.865 26 T HN 0.143 nan 8.240 nan 0.000 0.435 27 L N 1.129 122.246 121.223 -0.177 0.000 2.042 27 L HA -0.118 4.222 4.340 0.000 0.000 0.210 27 L C 2.430 179.114 176.870 -0.311 0.000 1.076 27 L CA 1.863 56.530 54.840 -0.287 0.000 0.749 27 L CB -1.238 40.624 42.059 -0.328 0.000 0.893 27 L HN 0.174 nan 8.230 nan 0.000 0.432 28 T N -0.097 114.322 114.554 -0.225 0.000 2.684 28 T HA -0.200 4.150 4.350 0.000 0.000 0.267 28 T C 1.898 176.462 174.700 -0.227 0.000 1.036 28 T CA 1.588 63.572 62.100 -0.192 0.000 1.148 28 T CB -0.570 68.237 68.868 -0.101 0.000 0.863 28 T HN 0.578 nan 8.240 nan 0.000 0.436 29 A N 1.243 123.922 122.820 -0.235 0.000 1.933 29 A HA 0.131 4.451 4.320 0.000 0.000 0.218 29 A C 2.607 179.939 177.584 -0.421 0.000 1.175 29 A CA 1.883 53.729 52.037 -0.319 0.000 0.628 29 A CB -1.019 17.776 19.000 -0.342 0.000 0.814 29 A HN 0.519 nan 8.150 nan 0.000 0.444 30 A N -0.356 122.235 122.820 -0.381 0.000 1.933 30 A HA -0.007 4.313 4.320 0.000 0.000 0.218 30 A C 2.122 179.483 177.584 -0.372 0.000 1.175 30 A CA 1.434 53.254 52.037 -0.362 0.000 0.628 30 A CB -0.560 18.246 19.000 -0.323 0.000 0.814 30 A HN 0.464 nan 8.150 nan 0.000 0.444 31 L N -0.357 120.583 121.223 -0.472 0.000 2.083 31 L HA -0.170 4.170 4.340 0.000 0.000 0.209 31 L C 2.792 179.296 176.870 -0.609 0.000 1.083 31 L CA 1.773 56.205 54.840 -0.681 0.000 0.752 31 L CB -0.744 40.748 42.059 -0.945 0.000 0.899 31 L HN 0.415 nan 8.230 nan 0.000 0.433 32 T N -1.943 112.410 114.554 -0.336 0.000 2.701 32 T HA -0.177 4.173 4.350 0.000 0.000 0.263 32 T C 1.751 176.516 174.700 0.108 0.000 1.040 32 T CA 1.144 63.218 62.100 -0.043 0.000 1.147 32 T CB -0.437 68.505 68.868 0.123 0.000 0.865 32 T HN 0.101 nan 8.240 nan 0.000 0.426 33 Y N 1.171 121.380 120.300 -0.151 0.000 2.274 33 Y HA 0.006 4.556 4.550 0.000 0.000 0.290 33 Y C 2.607 178.441 175.900 -0.110 0.000 1.145 33 Y CA -0.669 57.368 58.100 -0.105 0.000 1.203 33 Y CB -1.141 37.247 38.460 -0.120 0.000 0.984 33 Y HN 0.032 nan 8.280 nan 0.000 0.533 34 V N -1.389 118.499 119.914 -0.042 0.000 2.453 34 V HA -0.230 3.890 4.120 0.000 0.000 0.247 34 V C 2.360 178.381 176.094 -0.122 0.000 1.048 34 V CA 2.294 64.512 62.300 -0.137 0.000 1.049 34 V CB -0.676 30.910 31.823 -0.395 0.000 0.672 34 V HN 0.375 nan 8.190 nan 0.000 0.457 35 T N -0.754 113.675 114.554 -0.207 0.000 3.043 35 T HA 0.058 4.408 4.350 0.000 0.000 0.263 35 T C 1.906 176.670 174.700 0.107 0.000 1.094 35 T CA 1.070 63.140 62.100 -0.050 0.000 1.127 35 T CB -0.109 68.709 68.868 -0.084 0.000 0.905 35 T HN 0.488 nan 8.240 nan 0.000 0.490 36 A N 1.265 124.120 122.820 0.058 0.000 1.917 36 A HA 0.114 4.434 4.320 0.000 0.000 0.219 36 A C 2.330 179.956 177.584 0.070 0.000 1.182 36 A CA 1.819 53.888 52.037 0.052 0.000 0.633 36 A CB -1.045 17.949 19.000 -0.010 0.000 0.819 36 A HN 0.613 nan 8.150 nan 0.000 0.448 37 A N -1.385 121.493 122.820 0.096 0.000 2.268 37 A HA 0.237 4.557 4.320 0.000 0.000 0.221 37 A C 1.206 178.872 177.584 0.136 0.000 1.287 37 A CA 0.817 52.916 52.037 0.103 0.000 0.902 37 A CB -0.214 18.851 19.000 0.108 0.000 0.877 37 A HN 0.491 nan 8.150 nan 0.000 0.487 38 E N -1.326 118.973 120.200 0.164 0.000 2.641 38 E HA 0.059 4.409 4.350 0.000 0.000 0.201 38 E C -0.900 175.778 176.600 0.131 0.000 0.921 38 E CA 0.067 56.562 56.400 0.158 0.000 1.551 38 E CB 0.221 30.080 29.700 0.265 0.000 1.640 38 E HN 0.573 nan 8.360 nan 0.000 0.906 39 N N 2.293 121.071 118.700 0.130 0.000 2.577 39 N HA 0.259 4.999 4.740 0.000 0.000 0.275 39 N C -2.653 172.906 175.510 0.081 0.000 1.091 39 N CA -0.985 52.128 53.050 0.106 0.000 0.843 39 N CB 1.847 40.409 38.487 0.124 0.000 1.295 39 N HN -0.167 nan 8.380 nan 0.000 0.530 66 A N 0.202 123.071 122.820 0.081 0.000 2.574 66 A HA 0.507 4.827 4.320 0.000 0.000 0.283 66 A C 0.509 178.047 177.584 -0.076 0.000 1.270 66 A CA -0.047 51.994 52.037 0.006 0.000 0.945 66 A CB -1.414 17.577 19.000 -0.015 0.000 1.127 66 A HN 1.192 nan 8.150 nan 0.000 0.522 67 H N -1.885 117.198 119.070 0.022 0.000 3.181 67 H HA 0.095 4.651 4.556 0.000 0.000 0.317 67 H C -0.455 174.899 175.328 0.044 0.000 1.026 67 H CA 0.519 56.587 56.048 0.034 0.000 1.281 67 H CB -0.118 29.668 29.762 0.040 0.000 1.150 67 H HN 0.065 nan 8.280 nan 0.000 0.607 68 V N 1.792 121.765 119.914 0.099 0.000 2.960 68 V HA 0.455 4.575 4.120 0.000 0.000 0.315 68 V C 0.116 176.296 176.094 0.143 0.000 1.087 68 V CA -0.955 61.388 62.300 0.071 0.000 0.982 68 V CB 1.881 33.756 31.823 0.087 0.000 1.039 68 V HN 0.932 nan 8.190 nan 0.000 0.437 69 E N 0.828 121.100 120.200 0.119 0.000 2.312 69 E HA 0.784 5.134 4.350 0.000 0.000 0.267 69 E C -1.955 174.672 176.600 0.045 0.000 0.894 69 E CA -0.573 55.842 56.400 0.025 0.000 0.773 69 E CB 2.587 32.352 29.700 0.109 0.000 1.241 69 E HN 0.719 nan 8.360 nan 0.000 0.432 70 Y N -0.813 119.408 120.300 -0.132 0.000 2.620 70 Y HA 0.461 5.011 4.550 0.000 0.000 0.331 70 Y C -1.723 174.065 175.900 -0.187 0.000 1.173 70 Y CA -1.217 56.807 58.100 -0.126 0.000 1.076 70 Y CB 0.758 39.173 38.460 -0.076 0.000 1.336 70 Y HN 0.454 nan 8.280 nan 0.000 0.459 71 E N 0.734 120.972 120.200 0.063 0.000 2.314 71 E HA 0.665 5.015 4.350 0.000 0.000 0.272 71 E C -0.951 175.770 176.600 0.202 0.000 0.884 71 E CA -1.006 55.415 56.400 0.036 0.000 0.753 71 E CB 2.719 32.346 29.700 -0.122 0.000 1.213 71 E HN 0.827 nan 8.360 nan 0.000 0.432 72 T N -0.748 113.961 114.554 0.258 0.000 2.924 72 T HA 0.559 4.909 4.350 0.000 0.000 0.301 72 T C 1.246 176.067 174.700 0.201 0.000 1.120 72 T CA -0.097 62.177 62.100 0.290 0.000 0.940 72 T CB 0.749 69.830 68.868 0.355 0.000 1.591 72 T HN 0.586 nan 8.240 nan 0.000 0.578 73 A N 0.529 123.468 122.820 0.198 0.000 1.872 73 A HA 0.054 4.374 4.320 0.000 0.000 0.214 73 A C 2.392 180.033 177.584 0.096 0.000 1.187 73 A CA 0.827 52.940 52.037 0.127 0.000 0.614 73 A CB -0.711 18.352 19.000 0.106 0.000 0.826 73 A HN 0.755 nan 8.150 nan 0.000 0.442 74 K N -0.291 120.174 120.400 0.107 0.000 1.991 74 K HA -0.017 4.303 4.320 0.000 0.000 0.207 74 K C 0.627 177.237 176.600 0.017 0.000 1.045 74 K CA 0.905 57.236 56.287 0.072 0.000 0.937 74 K CB -0.102 32.457 32.500 0.098 0.000 0.720 74 K HN 0.448 nan 8.250 nan 0.000 0.438 75 R N -0.371 120.106 120.500 -0.038 0.000 2.950 75 R HA 0.360 4.700 4.340 0.000 0.000 0.253 75 R C -0.674 175.382 176.300 -0.408 0.000 1.168 75 R CA -0.811 55.140 56.100 -0.248 0.000 1.014 75 R CB 1.211 31.252 30.300 -0.430 0.000 1.228 75 R HN 0.137 nan 8.270 nan 0.000 0.487 76 H N 0.005 118.693 119.070 -0.635 0.000 2.469 76 H HA 0.431 4.987 4.556 0.000 0.000 0.342 76 H C -1.416 173.280 175.328 -1.053 0.000 1.115 76 H CA -0.439 55.254 56.048 -0.593 0.000 1.204 76 H CB 0.835 30.412 29.762 -0.309 0.000 1.492 76 H HN 0.382 nan 8.280 nan 0.000 0.499 77 Y N 1.538 121.384 120.300 -0.756 0.000 2.536 77 Y HA 0.427 4.977 4.550 0.000 0.000 0.347 77 Y C -0.403 175.106 175.900 -0.653 0.000 1.000 77 Y CA -0.926 56.720 58.100 -0.758 0.000 1.051 77 Y CB 2.396 40.306 38.460 -0.915 0.000 1.259 77 Y HN 0.688 nan 8.280 nan 0.000 0.468 78 S N -1.034 114.561 115.700 -0.174 0.000 2.557 78 S HA 0.727 5.197 4.470 0.000 0.000 0.291 78 S C -0.860 173.753 174.600 0.021 0.000 1.116 78 S CA -0.771 57.441 58.200 0.019 0.000 0.992 78 S CB 0.236 63.551 63.200 0.193 0.000 1.028 78 S HN 0.992 nan 8.310 nan 0.000 0.484 79 H N 1.282 120.396 119.070 0.073 0.000 2.552 79 H HA 0.771 5.327 4.556 0.000 0.000 0.311 79 H C -0.057 175.336 175.328 0.109 0.000 1.071 79 H CA -0.918 55.184 56.048 0.090 0.000 1.307 79 H CB 0.490 30.326 29.762 0.124 0.000 1.416 79 H HN 0.799 nan 8.280 nan 0.000 0.464 80 V N 2.633 122.596 119.914 0.081 0.000 3.134 80 V HA 0.443 4.563 4.120 0.000 0.000 0.313 80 V C 0.052 176.184 176.094 0.062 0.000 1.069 80 V CA -0.589 61.765 62.300 0.090 0.000 1.048 80 V CB 1.818 33.709 31.823 0.114 0.000 1.119 80 V HN 1.035 nan 8.190 nan 0.000 0.461 81 D N -0.213 120.229 120.400 0.071 0.000 2.896 81 D HA 0.485 5.125 4.640 0.000 0.000 0.241 81 D C -1.370 174.955 176.300 0.041 0.000 1.188 81 D CA -0.235 53.782 54.000 0.029 0.000 0.879 81 D CB 1.516 42.329 40.800 0.022 0.000 1.553 81 D HN 0.610 nan 8.370 nan 0.000 0.515 82 C N 6.182 125.462 119.300 -0.034 0.000 2.317 82 C HA 0.420 4.880 4.460 0.000 0.000 0.306 82 C C -1.162 173.789 174.990 -0.065 0.000 1.087 82 C CA -0.883 58.104 59.018 -0.052 0.000 1.529 82 C CB 0.464 28.080 27.740 -0.206 0.000 1.880 82 C HN 0.562 nan 8.230 nan 0.000 0.417 83 P HA 0.184 nan 4.420 nan 0.000 0.232 83 P C 0.553 177.860 177.300 0.012 0.000 1.170 83 P CA 0.840 63.929 63.100 -0.018 0.000 0.824 83 P CB 0.711 32.407 31.700 -0.007 0.000 0.896 84 G N -0.839 107.990 108.800 0.049 0.000 2.591 84 G HA2 0.258 4.218 3.960 0.000 0.000 0.306 84 G HA3 0.258 4.218 3.960 0.000 0.000 0.306 84 G C 0.021 175.005 174.900 0.140 0.000 1.334 84 G CA -0.159 44.994 45.100 0.088 0.000 0.981 84 G HN -0.038 nan 8.290 nan 0.000 0.491 85 H N 2.129 121.233 119.070 0.057 0.000 2.326 85 H HA -0.024 4.532 4.556 0.000 0.000 0.301 85 H C 2.347 177.734 175.328 0.099 0.000 1.081 85 H CA 2.145 58.234 56.048 0.068 0.000 1.334 85 H CB -0.045 29.748 29.762 0.050 0.000 1.385 85 H HN 0.487 nan 8.280 nan 0.000 0.504 86 A N 0.778 123.812 122.820 0.356 0.000 1.826 86 A HA -0.169 4.151 4.320 0.000 0.000 0.214 86 A C 2.327 180.000 177.584 0.148 0.000 1.212 86 A CA 1.615 53.798 52.037 0.244 0.000 0.605 86 A CB -1.127 17.953 19.000 0.135 0.000 0.861 86 A HN 0.552 nan 8.150 nan 0.000 0.447 87 D N -1.860 118.600 120.400 0.101 0.000 2.370 87 D HA -0.307 4.333 4.640 0.000 0.000 0.190 87 D C 1.696 178.008 176.300 0.020 0.000 1.019 87 D CA 2.543 56.567 54.000 0.040 0.000 0.869 87 D CB -0.318 40.510 40.800 0.047 0.000 0.944 87 D HN 0.539 nan 8.370 nan 0.000 0.456 88 Y N 0.021 120.305 120.300 -0.027 0.000 2.092 88 Y HA -0.136 4.414 4.550 0.000 0.000 0.282 88 Y C 2.173 178.040 175.900 -0.055 0.000 1.126 88 Y CA 1.388 59.457 58.100 -0.052 0.000 1.111 88 Y CB -0.833 37.587 38.460 -0.067 0.000 0.987 88 Y HN 0.087 nan 8.280 nan 0.000 0.489 89 I N 1.577 122.288 120.570 0.235 0.000 2.290 89 I HA -0.377 3.793 4.170 0.000 0.000 0.253 89 I C 2.483 178.570 176.117 -0.049 0.000 1.112 89 I CA 1.769 63.152 61.300 0.137 0.000 1.377 89 I CB -0.843 37.280 38.000 0.205 0.000 1.060 89 I HN 0.406 nan 8.210 nan 0.000 0.428 90 K N 0.450 120.797 120.400 -0.089 0.000 1.985 90 K HA -0.238 4.082 4.320 0.000 0.000 0.210 90 K C 1.863 178.288 176.600 -0.293 0.000 1.047 90 K CA 2.331 58.499 56.287 -0.198 0.000 0.932 90 K CB -0.400 31.926 32.500 -0.289 0.000 0.716 90 K HN 0.516 nan 8.250 nan 0.000 0.439 91 N N 0.804 119.295 118.700 -0.348 0.000 2.166 91 N HA -0.169 4.571 4.740 0.000 0.000 0.186 91 N C 1.847 177.127 175.510 -0.383 0.000 1.019 91 N CA 1.211 54.039 53.050 -0.370 0.000 0.856 91 N CB -0.151 38.104 38.487 -0.388 0.000 0.993 91 N HN 0.222 nan 8.380 nan 0.000 0.426 92 M N 0.836 120.141 119.600 -0.493 0.000 2.346 92 M HA -0.112 4.368 4.480 0.000 0.000 0.263 92 M C 1.420 177.607 176.300 -0.189 0.000 1.064 92 M CA 1.493 56.584 55.300 -0.347 0.000 1.083 92 M CB -0.291 32.170 32.600 -0.232 0.000 1.399 92 M HN 0.248 nan 8.290 nan 0.000 0.435 93 I N -0.204 120.254 120.570 -0.186 0.000 2.429 93 I HA -0.154 4.016 4.170 0.000 0.000 0.247 93 I C 1.529 177.537 176.117 -0.182 0.000 1.099 93 I CA 1.305 62.510 61.300 -0.159 0.000 1.422 93 I CB -0.209 37.712 38.000 -0.132 0.000 1.112 93 I HN 0.308 nan 8.210 nan 0.000 0.430 94 T N -1.016 113.418 114.554 -0.199 0.000 3.609 94 T HA 0.225 4.575 4.350 0.000 0.000 0.245 94 T C 1.474 176.075 174.700 -0.165 0.000 0.980 94 T CA 0.351 62.342 62.100 -0.183 0.000 0.940 94 T CB -0.512 68.237 68.868 -0.198 0.000 1.105 94 T HN 0.598 nan 8.240 nan 0.000 0.627 95 G N 0.894 109.601 108.800 -0.155 0.000 2.413 95 G HA2 -0.393 3.567 3.960 0.000 0.000 0.259 95 G HA3 -0.393 3.567 3.960 0.000 0.000 0.259 95 G C 1.395 176.215 174.900 -0.133 0.000 1.003 95 G CA 0.718 45.740 45.100 -0.130 0.000 0.629 95 G HN 1.199 nan 8.290 nan 0.000 0.548 96 A N 1.141 123.868 122.820 -0.155 0.000 1.885 96 A HA 0.314 4.634 4.320 0.000 0.000 0.215 96 A C 2.135 179.628 177.584 -0.151 0.000 1.255 96 A CA 2.892 54.838 52.037 -0.152 0.000 0.692 96 A CB -1.176 17.721 19.000 -0.172 0.000 0.842 96 A HN 2.256 nan 8.150 nan 0.000 0.465 97 A N -2.376 120.317 122.820 -0.212 0.000 2.406 97 A HA 0.513 4.833 4.320 0.000 0.000 0.243 97 A C 0.191 177.725 177.584 -0.082 0.000 1.082 97 A CA 0.289 52.219 52.037 -0.178 0.000 0.786 97 A CB 0.333 19.082 19.000 -0.418 0.000 1.029 97 A HN 0.451 nan 8.150 nan 0.000 0.495 98 Q N 1.087 120.902 119.800 0.025 0.000 4.160 98 Q HA 0.137 4.477 4.340 0.000 0.000 0.159 98 Q C -1.068 174.989 176.000 0.096 0.000 0.806 98 Q CA 0.185 56.021 55.803 0.056 0.000 0.820 98 Q CB 0.222 28.965 28.738 0.009 0.000 1.555 98 Q HN 0.859 nan 8.270 nan 0.000 0.430 99 M N 1.659 121.349 119.600 0.151 0.000 2.356 99 M HA 0.032 4.512 4.480 0.000 0.000 0.348 99 M C 0.349 176.704 176.300 0.093 0.000 1.595 99 M CA 0.591 55.960 55.300 0.115 0.000 1.095 99 M CB 0.429 33.082 32.600 0.088 0.000 1.963 99 M HN 0.135 nan 8.290 nan 0.000 0.459 100 D N 2.221 122.678 120.400 0.096 0.000 2.355 100 D HA 0.189 4.829 4.640 0.000 0.000 0.218 100 D C 0.903 177.266 176.300 0.106 0.000 1.004 100 D CA 0.507 54.565 54.000 0.096 0.000 0.880 100 D CB 0.576 41.441 40.800 0.109 0.000 0.911 100 D HN 0.824 nan 8.370 nan 0.000 0.528 101 G N -0.566 108.293 108.800 0.099 0.000 2.387 101 G HA2 0.539 4.499 3.960 0.000 0.000 0.294 101 G HA3 0.539 4.499 3.960 0.000 0.000 0.294 101 G C -1.938 172.992 174.900 0.051 0.000 1.509 101 G CA -0.148 45.015 45.100 0.106 0.000 0.806 101 G HN 0.183 nan 8.290 nan 0.000 0.546 102 A N -0.302 122.532 122.820 0.023 0.000 2.539 102 A HA 0.848 5.168 4.320 0.000 0.000 0.296 102 A C -1.005 176.542 177.584 -0.062 0.000 1.073 102 A CA -0.655 51.359 52.037 -0.039 0.000 0.700 102 A CB 1.286 20.235 19.000 -0.086 0.000 1.296 102 A HN 0.961 nan 8.150 nan 0.000 0.405 103 I N 1.440 121.964 120.570 -0.077 0.000 2.354 103 I HA 0.360 4.530 4.170 0.000 0.000 0.292 103 I C -0.733 175.336 176.117 -0.079 0.000 0.989 103 I CA -0.673 60.579 61.300 -0.080 0.000 1.188 103 I CB 1.589 39.535 38.000 -0.091 0.000 1.342 103 I HN 0.525 nan 8.210 nan 0.000 0.457 104 L N 8.482 129.668 121.223 -0.061 0.000 2.257 104 L HA 0.434 4.774 4.340 0.000 0.000 0.290 104 L C -0.504 176.385 176.870 0.031 0.000 1.044 104 L CA -0.221 54.597 54.840 -0.037 0.000 0.810 104 L CB 1.288 43.319 42.059 -0.046 0.000 1.193 104 L HN 0.330 nan 8.230 nan 0.000 0.425 105 V N 6.614 126.558 119.914 0.051 0.000 2.304 105 V HA 0.448 4.568 4.120 0.000 0.000 0.269 105 V C -0.137 176.068 176.094 0.185 0.000 1.036 105 V CA -0.477 61.898 62.300 0.125 0.000 0.840 105 V CB 1.129 33.017 31.823 0.107 0.000 1.036 105 V HN 0.612 nan 8.190 nan 0.000 0.466 106 V N 2.852 122.840 119.914 0.123 0.000 2.680 106 V HA 0.737 4.857 4.120 0.000 0.000 0.309 106 V C 0.006 175.961 176.094 -0.233 0.000 1.052 106 V CA -0.309 62.051 62.300 0.100 0.000 0.908 106 V CB 2.254 34.123 31.823 0.075 0.000 1.001 106 V HN 0.694 nan 8.190 nan 0.000 0.431 107 S N 3.990 119.214 115.700 -0.793 0.000 2.499 107 S HA 0.579 5.049 4.470 0.000 0.000 0.275 107 S C 1.342 175.715 174.600 -0.378 0.000 1.257 107 S CA 0.075 57.891 58.200 -0.641 0.000 1.050 107 S CB 1.068 63.730 63.200 -0.897 0.000 0.937 107 S HN 1.665 nan 8.310 nan 0.000 0.490 108 A N 4.914 127.580 122.820 -0.258 0.000 2.067 108 A HA 0.152 4.472 4.320 0.000 0.000 0.219 108 A C 2.222 179.719 177.584 -0.145 0.000 1.158 108 A CA 1.516 53.446 52.037 -0.179 0.000 0.661 108 A CB -0.909 17.994 19.000 -0.162 0.000 0.801 108 A HN 1.091 nan 8.150 nan 0.000 0.452 109 A N -0.278 122.445 122.820 -0.161 0.000 1.929 109 A HA -0.082 4.238 4.320 0.000 0.000 0.216 109 A C 1.701 179.225 177.584 -0.100 0.000 1.176 109 A CA 1.746 53.712 52.037 -0.117 0.000 0.628 109 A CB -0.235 18.697 19.000 -0.113 0.000 0.816 109 A HN 0.426 nan 8.150 nan 0.000 0.444 110 D N -1.693 118.629 120.400 -0.131 0.000 2.323 110 D HA 0.355 4.995 4.640 0.000 0.000 0.218 110 D C 1.303 177.574 176.300 -0.048 0.000 0.973 110 D CA 1.414 55.372 54.000 -0.069 0.000 0.890 110 D CB 0.056 40.845 40.800 -0.018 0.000 1.011 110 D HN 0.617 nan 8.370 nan 0.000 0.499 111 G N 0.944 109.695 108.800 -0.081 0.000 2.698 111 G HA2 -0.168 3.792 3.960 0.000 0.000 0.225 111 G HA3 -0.168 3.792 3.960 0.000 0.000 0.225 111 G C -2.631 172.286 174.900 0.029 0.000 1.345 111 G CA -0.944 44.133 45.100 -0.038 0.000 0.871 111 G HN 0.004 nan 8.290 nan 0.000 0.540 112 P HA 0.374 nan 4.420 nan 0.000 0.269 112 P C 0.187 177.539 177.300 0.087 0.000 1.217 112 P CA 0.065 63.217 63.100 0.086 0.000 0.783 112 P CB 0.359 32.092 31.700 0.056 0.000 0.898 113 M N 3.176 122.827 119.600 0.086 0.000 2.537 113 M HA 0.262 4.742 4.480 0.000 0.000 0.324 113 M C -1.450 174.847 176.300 -0.005 0.000 1.187 113 M CA -2.751 52.571 55.300 0.036 0.000 0.993 113 M CB 1.025 33.643 32.600 0.030 0.000 1.666 113 M HN 0.166 nan 8.290 nan 0.000 0.461 114 P HA -0.204 nan 4.420 nan 0.000 0.216 114 P C 0.714 177.972 177.300 -0.071 0.000 1.154 114 P CA 1.835 64.923 63.100 -0.021 0.000 0.865 114 P CB 0.013 31.706 31.700 -0.011 0.000 0.789 115 Q N -0.887 118.835 119.800 -0.130 0.000 2.291 115 Q HA -0.087 4.253 4.340 0.000 0.000 0.206 115 Q C 2.129 177.822 176.000 -0.511 0.000 0.976 115 Q CA 1.575 57.204 55.803 -0.290 0.000 0.875 115 Q CB -1.632 26.902 28.738 -0.341 0.000 0.927 115 Q HN 0.233 nan 8.270 nan 0.000 0.450 116 T N 0.627 114.981 114.554 -0.332 0.000 2.778 116 T HA -0.255 4.095 4.350 0.000 0.000 0.269 116 T C 1.618 176.237 174.700 -0.135 0.000 1.050 116 T CA 1.613 63.595 62.100 -0.197 0.000 1.137 116 T CB -0.185 68.685 68.868 0.003 0.000 0.860 116 T HN 0.381 nan 8.240 nan 0.000 0.468 117 R N 0.806 121.244 120.500 -0.102 0.000 2.081 117 R HA -0.129 4.211 4.340 0.000 0.000 0.235 117 R C 2.146 178.354 176.300 -0.153 0.000 1.131 117 R CA 1.599 57.661 56.100 -0.063 0.000 0.960 117 R CB -0.073 30.251 30.300 0.041 0.000 0.856 117 R HN 0.250 nan 8.270 nan 0.000 0.436 118 E N -0.536 119.583 120.200 -0.135 0.000 2.152 118 E HA -0.127 4.223 4.350 0.000 0.000 0.192 118 E C 1.832 178.425 176.600 -0.012 0.000 0.983 118 E CA 1.073 57.431 56.400 -0.071 0.000 0.818 118 E CB -0.120 29.545 29.700 -0.059 0.000 0.758 118 E HN 0.441 nan 8.360 nan 0.000 0.467 119 H N 0.131 119.161 119.070 -0.066 0.000 2.256 119 H HA -0.051 4.505 4.556 0.000 0.000 0.299 119 H C 2.232 177.477 175.328 -0.137 0.000 1.071 119 H CA 1.377 57.370 56.048 -0.091 0.000 1.280 119 H CB -0.711 29.005 29.762 -0.077 0.000 1.370 119 H HN 0.154 nan 8.280 nan 0.000 0.490 120 I N 0.385 120.937 120.570 -0.029 0.000 2.194 120 I HA -0.289 3.881 4.170 0.000 0.000 0.246 120 I C 2.605 178.597 176.117 -0.208 0.000 1.093 120 I CA 0.969 62.189 61.300 -0.133 0.000 1.355 120 I CB -0.443 37.419 38.000 -0.230 0.000 1.046 120 I HN 0.089 nan 8.210 nan 0.000 0.413 121 L N -0.097 120.919 121.223 -0.344 0.000 2.051 121 L HA -0.276 4.064 4.340 0.000 0.000 0.214 121 L C 2.553 179.395 176.870 -0.047 0.000 1.076 121 L CA 1.286 55.983 54.840 -0.239 0.000 0.758 121 L CB -0.435 41.565 42.059 -0.099 0.000 0.890 121 L HN 0.300 nan 8.230 nan 0.000 0.433 122 L N -0.245 120.937 121.223 -0.068 0.000 1.989 122 L HA -0.208 4.132 4.340 0.000 0.000 0.211 122 L C 2.638 179.444 176.870 -0.107 0.000 1.071 122 L CA 2.176 56.904 54.840 -0.188 0.000 0.749 122 L CB -0.939 40.920 42.059 -0.333 0.000 0.890 122 L HN 0.197 nan 8.230 nan 0.000 0.431 123 A N -0.393 122.393 122.820 -0.057 0.000 1.884 123 A HA -0.334 3.986 4.320 0.000 0.000 0.219 123 A C 2.448 180.133 177.584 0.169 0.000 1.197 123 A CA 2.316 54.386 52.037 0.056 0.000 0.637 123 A CB -0.801 18.266 19.000 0.112 0.000 0.827 123 A HN 0.502 nan 8.150 nan 0.000 0.450 124 R N -0.110 120.503 120.500 0.189 0.000 2.096 124 R HA -0.189 4.151 4.340 0.000 0.000 0.240 124 R C 2.321 178.658 176.300 0.060 0.000 1.139 124 R CA 2.333 58.492 56.100 0.097 0.000 0.952 124 R CB -1.130 29.236 30.300 0.110 0.000 0.854 124 R HN 0.750 nan 8.270 nan 0.000 0.436 125 Q N -0.377 119.460 119.800 0.062 0.000 1.985 125 Q HA -0.151 4.189 4.340 0.000 0.000 0.207 125 Q C 1.938 177.972 176.000 0.057 0.000 0.996 125 Q CA 2.735 58.576 55.803 0.064 0.000 0.851 125 Q CB -0.245 28.539 28.738 0.077 0.000 0.921 125 Q HN 0.344 nan 8.270 nan 0.000 0.418 126 V N -1.840 118.102 119.914 0.047 0.000 2.913 126 V HA 0.120 4.240 4.120 0.000 0.000 0.260 126 V C 0.978 177.114 176.094 0.069 0.000 1.098 126 V CA 1.445 63.789 62.300 0.075 0.000 1.121 126 V CB -0.748 31.139 31.823 0.107 0.000 0.714 126 V HN 0.615 nan 8.190 nan 0.000 0.487 127 G N 0.269 109.109 108.800 0.067 0.000 2.291 127 G HA2 -0.175 3.786 3.960 0.000 0.000 0.271 127 G HA3 -0.175 3.786 3.960 0.000 0.000 0.271 127 G C -0.116 174.845 174.900 0.102 0.000 1.099 127 G CA 0.061 45.200 45.100 0.063 0.000 0.919 127 G HN 0.977 nan 8.290 nan 0.000 0.496 128 V N 0.692 120.707 119.914 0.169 0.000 2.617 128 V HA 0.045 4.166 4.120 0.000 0.000 0.304 128 V C 0.364 176.582 176.094 0.206 0.000 1.040 128 V CA 0.045 62.443 62.300 0.164 0.000 1.149 128 V CB 0.902 32.800 31.823 0.126 0.000 0.914 128 V HN 0.349 nan 8.190 nan 0.000 0.487 129 P HA -0.116 nan 4.420 nan 0.000 0.213 129 P C -0.414 176.883 177.300 -0.004 0.000 1.176 129 P CA 1.582 64.687 63.100 0.009 0.000 0.919 129 P CB 0.121 31.833 31.700 0.021 0.000 0.791 130 Y N -2.984 117.426 120.300 0.182 0.000 2.625 130 Y HA 0.526 5.076 4.550 0.000 0.000 0.338 130 Y C -0.147 175.825 175.900 0.121 0.000 1.123 130 Y CA -1.700 56.531 58.100 0.218 0.000 1.046 130 Y CB 1.214 39.771 38.460 0.162 0.000 1.299 130 Y HN -0.277 nan 8.280 nan 0.000 0.464 131 I N 1.853 122.634 120.570 0.353 0.000 2.689 131 I HA 0.638 4.808 4.170 0.000 0.000 0.299 131 I C -1.133 174.920 176.117 -0.106 0.000 1.059 131 I CA -1.138 60.154 61.300 -0.014 0.000 1.055 131 I CB 2.192 39.987 38.000 -0.342 0.000 1.243 131 I HN 0.149 nan 8.210 nan 0.000 0.425 132 V N 5.316 125.144 119.914 -0.143 0.000 2.823 132 V HA 0.537 4.657 4.120 0.000 0.000 0.312 132 V C -0.399 175.608 176.094 -0.145 0.000 1.072 132 V CA -0.679 61.483 62.300 -0.230 0.000 0.937 132 V CB 2.609 34.343 31.823 -0.147 0.000 1.013 132 V HN 0.395 nan 8.190 nan 0.000 0.430 133 V N 3.263 123.098 119.914 -0.132 0.000 2.715 133 V HA 0.559 4.679 4.120 0.000 0.000 0.310 133 V C -1.079 175.045 176.094 0.049 0.000 1.054 133 V CA -0.620 61.651 62.300 -0.049 0.000 0.928 133 V CB 1.865 33.641 31.823 -0.078 0.000 1.007 133 V HN 0.716 nan 8.190 nan 0.000 0.437 134 F N 4.420 124.313 119.950 -0.094 0.000 2.610 134 F HA 0.571 5.098 4.527 0.000 0.000 0.355 134 F C -0.079 175.678 175.800 -0.071 0.000 1.140 134 F CA -0.695 57.256 58.000 -0.082 0.000 1.037 134 F CB 1.533 40.479 39.000 -0.089 0.000 1.287 134 F HN 0.414 nan 8.300 nan 0.000 0.457 135 M N 5.296 124.588 119.600 -0.513 0.000 2.618 135 M HA 0.098 4.578 4.480 0.000 0.000 0.322 135 M C 0.148 176.047 176.300 -0.668 0.000 1.471 135 M CA 0.011 55.049 55.300 -0.437 0.000 1.450 135 M CB -0.274 32.144 32.600 -0.304 0.000 1.444 135 M HN 0.585 nan 8.290 nan 0.000 0.471 136 N N 2.345 120.771 118.700 -0.455 0.000 2.294 136 N HA 0.099 4.839 4.740 0.000 0.000 0.248 136 N C -0.222 175.140 175.510 -0.247 0.000 1.300 136 N CA 0.357 53.228 53.050 -0.299 0.000 0.925 136 N CB 0.561 39.081 38.487 0.054 0.000 1.188 136 N HN 0.468 nan 8.380 nan 0.000 0.512 137 K N -1.213 119.072 120.400 -0.191 0.000 3.012 137 K HA -0.174 4.146 4.320 0.000 0.000 0.259 137 K C 0.534 177.017 176.600 -0.195 0.000 0.989 137 K CA 0.307 56.474 56.287 -0.200 0.000 0.728 137 K CB -1.681 30.717 32.500 -0.169 0.000 1.260 137 K HN 0.265 nan 8.250 nan 0.000 0.480 138 V N 1.197 120.991 119.914 -0.200 0.000 2.970 138 V HA -0.196 3.924 4.120 0.000 0.000 0.260 138 V C 2.170 178.233 176.094 -0.052 0.000 1.100 138 V CA 2.171 64.402 62.300 -0.114 0.000 1.122 138 V CB -0.225 31.558 31.823 -0.066 0.000 0.721 138 V HN 0.559 nan 8.190 nan 0.000 0.483 139 D N -0.688 119.626 120.400 -0.142 0.000 2.347 139 D HA -0.146 4.494 4.640 0.000 0.000 0.215 139 D C 1.335 177.599 176.300 -0.059 0.000 0.976 139 D CA 0.628 54.581 54.000 -0.079 0.000 0.884 139 D CB -0.044 40.571 40.800 -0.310 0.000 0.915 139 D HN 0.465 nan 8.370 nan 0.000 0.526 140 M N 1.620 121.166 119.600 -0.089 0.000 2.853 140 M HA 0.218 4.698 4.480 0.000 0.000 0.274 140 M C -0.212 176.056 176.300 -0.053 0.000 1.289 140 M CA -0.224 55.034 55.300 -0.069 0.000 1.031 140 M CB 1.232 33.780 32.600 -0.087 0.000 1.352 140 M HN -0.077 nan 8.290 nan 0.000 0.485 141 V N 0.139 120.032 119.914 -0.035 0.000 2.624 141 V HA 0.215 4.335 4.120 0.000 0.000 0.294 141 V C -0.278 175.810 176.094 -0.011 0.000 1.077 141 V CA -0.594 61.689 62.300 -0.030 0.000 0.905 141 V CB 1.482 33.278 31.823 -0.044 0.000 1.025 141 V HN 0.468 nan 8.190 nan 0.000 0.440 142 D N 3.896 124.291 120.400 -0.009 0.000 2.075 142 D HA -0.074 4.566 4.640 0.000 0.000 0.196 142 D C 0.759 177.057 176.300 -0.004 0.000 0.985 142 D CA 1.152 55.151 54.000 -0.001 0.000 0.834 142 D CB -0.214 40.584 40.800 -0.003 0.000 0.987 142 D HN 0.629 nan 8.370 nan 0.000 0.452 143 D N 0.452 120.846 120.400 -0.009 0.000 2.401 143 D HA 0.072 4.712 4.640 0.000 0.000 0.254 143 D C -1.762 174.530 176.300 -0.014 0.000 1.192 143 D CA -1.881 52.112 54.000 -0.011 0.000 0.885 143 D CB 1.383 42.175 40.800 -0.012 0.000 1.147 143 D HN -0.024 nan 8.370 nan 0.000 0.478 144 P HA 0.079 nan 4.420 nan 0.000 0.249 144 P C 0.499 177.788 177.300 -0.019 0.000 1.229 144 P CA 0.383 63.474 63.100 -0.016 0.000 0.788 144 P CB 0.389 32.081 31.700 -0.013 0.000 1.072 145 E N -0.587 119.603 120.200 -0.017 0.000 2.122 145 E HA -0.031 4.319 4.350 0.000 0.000 0.190 145 E C 1.604 178.193 176.600 -0.019 0.000 0.977 145 E CA 0.397 56.788 56.400 -0.016 0.000 0.820 145 E CB -0.426 29.266 29.700 -0.013 0.000 0.770 145 E HN 0.143 nan 8.360 nan 0.000 0.462 146 L N 1.290 122.500 121.223 -0.021 0.000 1.989 146 L HA -0.211 4.129 4.340 0.000 0.000 0.211 146 L C 2.261 179.112 176.870 -0.032 0.000 1.071 146 L CA 1.459 56.284 54.840 -0.025 0.000 0.749 146 L CB -0.466 41.576 42.059 -0.028 0.000 0.890 146 L HN 0.141 nan 8.230 nan 0.000 0.431 147 L N -0.934 120.267 121.223 -0.037 0.000 1.997 147 L HA -0.324 4.016 4.340 0.000 0.000 0.216 147 L C 2.264 179.109 176.870 -0.042 0.000 1.074 147 L CA 1.855 56.666 54.840 -0.047 0.000 0.763 147 L CB -1.212 40.819 42.059 -0.048 0.000 0.890 147 L HN 0.380 nan 8.230 nan 0.000 0.434 148 D N 0.178 120.559 120.400 -0.032 0.000 2.158 148 D HA -0.199 4.441 4.640 0.000 0.000 0.197 148 D C 2.107 178.394 176.300 -0.023 0.000 0.995 148 D CA 1.443 55.427 54.000 -0.026 0.000 0.846 148 D CB -0.054 40.734 40.800 -0.020 0.000 0.941 148 D HN 0.228 nan 8.370 nan 0.000 0.456 149 L N 1.118 122.328 121.223 -0.021 0.000 1.973 149 L HA -0.155 4.185 4.340 0.000 0.000 0.208 149 L C 2.396 179.255 176.870 -0.018 0.000 1.073 149 L CA 1.427 56.258 54.840 -0.016 0.000 0.746 149 L CB -0.915 41.134 42.059 -0.015 0.000 0.891 149 L HN -0.149 nan 8.230 nan 0.000 0.433 150 V N 0.502 120.400 119.914 -0.027 0.000 2.250 150 V HA -0.417 3.703 4.120 0.000 0.000 0.253 150 V C 2.687 178.766 176.094 -0.026 0.000 1.065 150 V CA 2.408 64.690 62.300 -0.030 0.000 1.039 150 V CB -1.143 30.649 31.823 -0.051 0.000 0.647 150 V HN 0.715 nan 8.190 nan 0.000 0.446 151 E N -0.663 119.517 120.200 -0.034 0.000 2.085 151 E HA -0.304 4.046 4.350 0.000 0.000 0.194 151 E C 2.186 178.777 176.600 -0.015 0.000 0.994 151 E CA 1.926 58.306 56.400 -0.033 0.000 0.801 151 E CB -0.168 29.507 29.700 -0.041 0.000 0.743 151 E HN 0.546 nan 8.360 nan 0.000 0.453 152 M N 0.867 120.461 119.600 -0.010 0.000 2.080 152 M HA -0.209 4.271 4.480 0.000 0.000 0.260 152 M C 1.908 178.215 176.300 0.011 0.000 1.068 152 M CA 1.761 57.061 55.300 0.001 0.000 1.109 152 M CB -0.016 32.584 32.600 -0.000 0.000 1.342 152 M HN 0.119 nan 8.290 nan 0.000 0.405 153 E N -0.948 119.258 120.200 0.010 0.000 2.013 153 E HA -0.234 4.116 4.350 0.000 0.000 0.202 153 E C 1.872 178.492 176.600 0.034 0.000 1.018 153 E CA 2.023 58.435 56.400 0.021 0.000 0.834 153 E CB -0.507 29.203 29.700 0.016 0.000 0.770 153 E HN 0.311 nan 8.360 nan 0.000 0.459 154 V N 1.683 121.613 119.914 0.026 0.000 2.231 154 V HA -0.360 3.760 4.120 0.000 0.000 0.250 154 V C 2.354 178.476 176.094 0.047 0.000 1.058 154 V CA 2.155 64.476 62.300 0.034 0.000 1.022 154 V CB -0.789 31.039 31.823 0.010 0.000 0.640 154 V HN 0.287 nan 8.190 nan 0.000 0.445 155 R N 0.064 120.582 120.500 0.030 0.000 2.162 155 R HA -0.319 4.021 4.340 0.000 0.000 0.245 155 R C 2.140 178.483 176.300 0.072 0.000 1.129 155 R CA 2.528 58.652 56.100 0.040 0.000 0.940 155 R CB -1.037 29.278 30.300 0.024 0.000 0.875 155 R HN 0.761 nan 8.270 nan 0.000 0.437 156 D N 0.485 120.922 120.400 0.063 0.000 2.104 156 D HA -0.148 4.492 4.640 0.000 0.000 0.194 156 D C 2.100 178.465 176.300 0.107 0.000 0.994 156 D CA 1.027 55.070 54.000 0.071 0.000 0.830 156 D CB -0.145 40.685 40.800 0.051 0.000 0.959 156 D HN 0.142 nan 8.370 nan 0.000 0.452 157 L N -0.404 120.891 121.223 0.120 0.000 2.051 157 L HA -0.238 4.102 4.340 0.000 0.000 0.214 157 L C 2.471 179.518 176.870 0.295 0.000 1.076 157 L CA 1.147 56.099 54.840 0.188 0.000 0.758 157 L CB -0.341 41.810 42.059 0.155 0.000 0.890 157 L HN 0.255 nan 8.230 nan 0.000 0.433 158 L N -0.860 120.511 121.223 0.246 0.000 2.093 158 L HA -0.188 4.152 4.340 0.000 0.000 0.208 158 L C 2.279 179.367 176.870 0.363 0.000 1.085 158 L CA 1.080 56.129 54.840 0.348 0.000 0.755 158 L CB -0.830 41.381 42.059 0.253 0.000 0.904 158 L HN 0.262 nan 8.230 nan 0.000 0.435 159 N N 0.169 119.006 118.700 0.228 0.000 2.137 159 N HA -0.236 4.504 4.740 0.000 0.000 0.190 159 N C 1.863 177.434 175.510 0.102 0.000 1.017 159 N CA 1.300 54.444 53.050 0.158 0.000 0.859 159 N CB -0.270 38.278 38.487 0.100 0.000 1.002 159 N HN 0.531 nan 8.380 nan 0.000 0.428 160 Q N -0.676 119.170 119.800 0.077 0.000 2.297 160 Q HA -0.124 4.216 4.340 0.000 0.000 0.208 160 Q C 0.214 176.016 176.000 -0.330 0.000 0.981 160 Q CA 1.075 56.795 55.803 -0.139 0.000 0.876 160 Q CB -0.035 28.582 28.738 -0.202 0.000 0.921 160 Q HN 0.545 nan 8.270 nan 0.000 0.446 161 Y N -0.326 120.027 120.300 0.088 0.000 2.736 161 Y HA 0.134 4.684 4.550 0.000 0.000 0.293 161 Y C -0.065 175.781 175.900 -0.089 0.000 1.062 161 Y CA -0.379 57.747 58.100 0.044 0.000 1.247 161 Y CB 0.463 39.000 38.460 0.129 0.000 1.200 161 Y HN 0.005 nan 8.280 nan 0.000 0.552 162 E N -2.361 117.848 120.200 0.015 0.000 3.975 162 E HA -0.265 4.085 4.350 0.000 0.000 0.342 162 E C -0.442 176.129 176.600 -0.049 0.000 0.677 162 E CA 0.776 57.134 56.400 -0.070 0.000 1.238 162 E CB -1.902 27.693 29.700 -0.176 0.000 1.665 162 E HN 0.355 nan 8.360 nan 0.000 0.429 163 F N 2.706 122.760 119.950 0.173 0.000 2.429 163 F HA 0.218 4.745 4.527 0.000 0.000 0.348 163 F C -1.329 174.591 175.800 0.201 0.000 1.109 163 F CA -1.832 56.295 58.000 0.212 0.000 1.232 163 F CB 0.168 39.298 39.000 0.217 0.000 1.157 163 F HN -0.264 nan 8.300 nan 0.000 0.564 164 P HA 0.039 nan 4.420 nan 0.000 0.252 164 P C 0.883 178.322 177.300 0.232 0.000 1.694 164 P CA 0.287 63.572 63.100 0.309 0.000 1.163 164 P CB -0.085 31.818 31.700 0.339 0.000 1.934 165 G N 2.653 111.572 108.800 0.199 0.000 2.485 165 G HA2 -0.243 3.717 3.960 0.000 0.000 0.221 165 G HA3 -0.243 3.717 3.960 0.000 0.000 0.221 165 G C 0.965 175.907 174.900 0.070 0.000 1.115 165 G CA 0.580 45.757 45.100 0.129 0.000 0.751 165 G HN 0.335 nan 8.290 nan 0.000 0.567 166 D N 0.538 120.983 120.400 0.076 0.000 2.201 166 D HA -0.008 4.632 4.640 0.000 0.000 0.209 166 D C 2.133 178.457 176.300 0.040 0.000 0.961 166 D CA 0.684 54.712 54.000 0.047 0.000 0.861 166 D CB -0.172 40.658 40.800 0.052 0.000 0.997 166 D HN 0.235 nan 8.370 nan 0.000 0.486 167 E N 0.964 121.211 120.200 0.077 0.000 2.268 167 E HA 0.001 4.351 4.350 0.000 0.000 0.195 167 E C 0.602 177.243 176.600 0.069 0.000 0.995 167 E CA 0.017 56.477 56.400 0.101 0.000 0.836 167 E CB 0.078 29.868 29.700 0.150 0.000 0.763 167 E HN 0.015 nan 8.360 nan 0.000 0.491 168 V N 3.394 123.276 119.914 -0.052 0.000 2.655 168 V HA 0.074 4.194 4.120 0.000 0.000 0.300 168 V C -2.036 173.829 176.094 -0.381 0.000 1.044 168 V CA -1.216 60.826 62.300 -0.430 0.000 1.095 168 V CB 0.753 32.403 31.823 -0.288 0.000 0.952 168 V HN 0.121 nan 8.190 nan 0.000 0.485 169 P HA 0.291 nan 4.420 nan 0.000 0.285 169 P C -1.107 176.063 177.300 -0.218 0.000 1.259 169 P CA -0.223 62.700 63.100 -0.295 0.000 0.794 169 P CB 1.422 32.948 31.700 -0.291 0.000 0.940 170 V N 5.286 125.122 119.914 -0.130 0.000 2.349 170 V HA 0.206 4.326 4.120 0.000 0.000 0.284 170 V C 0.295 176.343 176.094 -0.077 0.000 1.014 170 V CA -0.609 61.631 62.300 -0.101 0.000 0.826 170 V CB 1.048 32.815 31.823 -0.093 0.000 1.009 170 V HN 0.377 nan 8.190 nan 0.000 0.431 171 I N 5.046 125.588 120.570 -0.046 0.000 2.428 171 I HA 0.456 4.626 4.170 0.000 0.000 0.289 171 I C 0.516 176.499 176.117 -0.224 0.000 1.019 171 I CA -0.183 61.102 61.300 -0.025 0.000 1.351 171 I CB 1.043 39.153 38.000 0.182 0.000 1.412 171 I HN 0.462 nan 8.210 nan 0.000 0.513 172 R N 3.414 123.798 120.500 -0.192 0.000 2.387 172 R HA 0.807 5.147 4.340 0.000 0.000 0.314 172 R C 0.053 176.233 176.300 -0.200 0.000 0.958 172 R CA -0.378 55.554 56.100 -0.279 0.000 0.846 172 R CB 1.755 31.976 30.300 -0.131 0.000 1.147 172 R HN 0.919 nan 8.270 nan 0.000 0.447 173 G N -0.414 108.160 108.800 -0.376 0.000 2.494 173 G HA2 0.369 4.329 3.960 0.000 0.000 0.308 173 G HA3 0.369 4.329 3.960 0.000 0.000 0.308 173 G C -1.534 173.316 174.900 -0.083 0.000 1.263 173 G CA -0.429 44.695 45.100 0.040 0.000 0.840 173 G HN 0.379 nan 8.290 nan 0.000 0.479 174 S N -1.020 114.706 115.700 0.043 0.000 2.776 174 S HA 0.581 5.051 4.470 0.000 0.000 0.284 174 S C 0.967 175.554 174.600 -0.022 0.000 1.160 174 S CA 0.728 58.819 58.200 -0.181 0.000 1.051 174 S CB 1.045 63.813 63.200 -0.721 0.000 1.037 174 S HN 1.690 nan 8.310 nan 0.000 0.485 175 A N 4.775 127.644 122.820 0.080 0.000 1.902 175 A HA 0.015 4.335 4.320 0.000 0.000 0.217 175 A C 1.950 179.462 177.584 -0.121 0.000 1.181 175 A CA 1.384 53.400 52.037 -0.036 0.000 0.623 175 A CB -0.722 18.242 19.000 -0.061 0.000 0.818 175 A HN 0.793 nan 8.150 nan 0.000 0.443 176 L N 0.154 121.296 121.223 -0.136 0.000 1.956 176 L HA -0.180 4.160 4.340 0.000 0.000 0.216 176 L C 2.397 179.167 176.870 -0.168 0.000 1.073 176 L CA 2.000 56.751 54.840 -0.148 0.000 0.762 176 L CB -1.030 40.943 42.059 -0.144 0.000 0.889 176 L HN 0.444 nan 8.230 nan 0.000 0.433 177 L N -0.711 120.356 121.223 -0.260 0.000 2.042 177 L HA -0.214 4.127 4.340 0.000 0.000 0.210 177 L C 2.651 179.473 176.870 -0.081 0.000 1.076 177 L CA 1.310 55.997 54.840 -0.254 0.000 0.749 177 L CB -1.039 40.611 42.059 -0.681 0.000 0.893 177 L HN 0.402 nan 8.230 nan 0.000 0.432 178 A N -0.109 122.682 122.820 -0.047 0.000 1.940 178 A HA -0.226 4.094 4.320 0.000 0.000 0.219 178 A C 2.210 179.761 177.584 -0.054 0.000 1.176 178 A CA 1.763 53.828 52.037 0.046 0.000 0.631 178 A CB -0.583 18.441 19.000 0.040 0.000 0.814 178 A HN 0.322 nan 8.150 nan 0.000 0.446 179 L N 0.106 121.239 121.223 -0.150 0.000 2.044 179 L HA -0.055 4.285 4.340 0.000 0.000 0.205 179 L C 2.166 178.854 176.870 -0.302 0.000 1.075 179 L CA 2.197 56.861 54.840 -0.293 0.000 0.747 179 L CB -0.990 40.855 42.059 -0.356 0.000 0.903 179 L HN 0.522 nan 8.230 nan 0.000 0.435 180 E N -0.855 119.268 120.200 -0.128 0.000 2.130 180 E HA -0.339 4.011 4.350 0.000 0.000 0.196 180 E C 2.038 178.673 176.600 0.060 0.000 0.998 180 E CA 1.440 57.851 56.400 0.017 0.000 0.806 180 E CB -0.137 29.582 29.700 0.032 0.000 0.738 180 E HN 0.505 nan 8.360 nan 0.000 0.459 181 Q N 0.440 120.266 119.800 0.044 0.000 2.079 181 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 181 Q C 1.950 177.999 176.000 0.081 0.000 0.974 181 Q CA 1.424 57.277 55.803 0.083 0.000 0.840 181 Q CB -0.016 28.790 28.738 0.113 0.000 0.898 181 Q HN 0.128 nan 8.270 nan 0.000 0.430 182 M N -0.256 119.371 119.600 0.045 0.000 2.296 182 M HA -0.097 4.383 4.480 0.000 0.000 0.265 182 M C 1.765 178.160 176.300 0.158 0.000 1.064 182 M CA 1.384 56.734 55.300 0.084 0.000 1.109 182 M CB -1.113 31.545 32.600 0.097 0.000 1.396 182 M HN 0.301 nan 8.290 nan 0.000 0.430 183 H N -0.109 119.055 119.070 0.155 0.000 2.333 183 H HA 0.057 4.613 4.556 0.000 0.000 0.302 183 H C 2.297 177.671 175.328 0.077 0.000 1.075 183 H CA 1.328 57.459 56.048 0.138 0.000 1.348 183 H CB -0.108 29.718 29.762 0.107 0.000 1.393 183 H HN 0.334 nan 8.280 nan 0.000 0.509 184 R N 0.111 120.731 120.500 0.201 0.000 2.062 184 R HA -0.062 4.278 4.340 0.000 0.000 0.231 184 R C 0.449 176.803 176.300 0.089 0.000 1.136 184 R CA 1.156 57.327 56.100 0.119 0.000 0.948 184 R CB 0.011 30.369 30.300 0.097 0.000 0.845 184 R HN 0.059 nan 8.270 nan 0.000 0.430 185 N N 0.255 119.008 118.700 0.087 0.000 2.776 185 N HA 0.161 4.901 4.740 0.000 0.000 0.245 185 N C -2.326 173.219 175.510 0.059 0.000 1.121 185 N CA -2.329 50.759 53.050 0.063 0.000 0.852 185 N CB 1.431 39.953 38.487 0.058 0.000 1.142 185 N HN -0.206 nan 8.380 nan 0.000 0.514 186 P HA -0.115 nan 4.420 nan 0.000 0.220 186 P C 0.794 178.096 177.300 0.004 0.000 1.144 186 P CA 1.538 64.635 63.100 -0.005 0.000 0.800 186 P CB 0.282 31.952 31.700 -0.051 0.000 0.772 187 K N -1.122 119.291 120.400 0.023 0.000 2.404 187 K HA 0.160 4.480 4.320 0.000 0.000 0.194 187 K C 0.888 177.521 176.600 0.054 0.000 1.023 187 K CA 0.389 56.695 56.287 0.032 0.000 1.094 187 K CB -1.439 31.074 32.500 0.022 0.000 0.841 187 K HN 0.129 nan 8.250 nan 0.000 0.523 188 T N 2.116 116.710 114.554 0.067 0.000 2.898 188 T HA 0.133 4.483 4.350 0.000 0.000 0.331 188 T C 0.401 175.168 174.700 0.113 0.000 1.085 188 T CA 0.461 62.611 62.100 0.083 0.000 1.129 188 T CB 0.171 69.098 68.868 0.098 0.000 1.054 188 T HN 0.643 nan 8.240 nan 0.000 0.540 189 R N 0.204 120.760 120.500 0.094 0.000 2.885 189 R HA 0.633 4.973 4.340 0.000 0.000 0.260 189 R C -0.689 175.622 176.300 0.018 0.000 1.107 189 R CA -1.357 54.792 56.100 0.081 0.000 0.978 189 R CB 0.654 30.959 30.300 0.009 0.000 1.227 189 R HN 0.280 nan 8.270 nan 0.000 0.473 190 R N 0.551 120.941 120.500 -0.182 0.000 2.583 190 R HA 0.095 4.435 4.340 0.000 0.000 0.274 190 R C 0.909 177.109 176.300 -0.166 0.000 0.998 190 R CA 1.998 57.885 56.100 -0.356 0.000 1.081 190 R CB -0.475 29.431 30.300 -0.656 0.000 0.940 190 R HN 0.838 nan 8.270 nan 0.000 0.413 191 G N 2.779 111.513 108.800 -0.110 0.000 2.347 191 G HA2 -0.372 3.588 3.960 0.000 0.000 0.247 191 G HA3 -0.372 3.588 3.960 0.000 0.000 0.247 191 G C 0.970 175.846 174.900 -0.040 0.000 1.037 191 G CA 0.536 45.593 45.100 -0.072 0.000 0.622 191 G HN 0.640 nan 8.290 nan 0.000 0.521 192 E N 0.412 120.600 120.200 -0.020 0.000 2.007 192 E HA -0.059 4.291 4.350 0.000 0.000 0.194 192 E C 1.250 177.853 176.600 0.005 0.000 0.999 192 E CA 0.861 57.260 56.400 -0.002 0.000 0.811 192 E CB -0.054 29.656 29.700 0.018 0.000 0.762 192 E HN 0.530 nan 8.360 nan 0.000 0.450 193 N N 0.572 119.292 118.700 0.034 0.000 2.473 193 N HA -0.049 4.691 4.740 0.000 0.000 0.291 193 N C 0.511 176.014 175.510 -0.012 0.000 1.083 193 N CA 0.056 53.125 53.050 0.031 0.000 0.951 193 N CB 1.652 40.195 38.487 0.094 0.000 1.164 193 N HN 0.098 nan 8.380 nan 0.000 0.480 194 E N 2.942 123.062 120.200 -0.135 0.000 2.077 194 E HA -0.158 4.192 4.350 0.000 0.000 0.193 194 E C 0.916 177.343 176.600 -0.288 0.000 0.989 194 E CA 1.376 57.590 56.400 -0.311 0.000 0.800 194 E CB 0.008 29.350 29.700 -0.597 0.000 0.746 194 E HN 0.727 nan 8.360 nan 0.000 0.452 195 W N 0.074 121.402 121.300 0.046 0.000 2.467 195 W HA -0.052 4.608 4.660 0.000 0.000 0.275 195 W C 2.212 178.771 176.519 0.066 0.000 1.239 195 W CA -0.004 57.371 57.345 0.050 0.000 1.266 195 W CB -0.000 29.478 29.460 0.031 0.000 1.112 195 W HN -0.041 nan 8.180 nan 0.000 0.576 196 V N 0.321 120.391 119.914 0.260 0.000 2.453 196 V HA -0.250 3.870 4.120 0.000 0.000 0.247 196 V C 1.578 177.859 176.094 0.311 0.000 1.048 196 V CA 1.867 64.300 62.300 0.223 0.000 1.049 196 V CB -0.747 31.213 31.823 0.229 0.000 0.672 196 V HN 0.020 nan 8.190 nan 0.000 0.457 197 D N 0.044 120.597 120.400 0.255 0.000 2.178 197 D HA -0.114 4.526 4.640 0.000 0.000 0.201 197 D C 2.229 178.671 176.300 0.236 0.000 0.980 197 D CA 0.844 54.995 54.000 0.251 0.000 0.842 197 D CB -0.127 40.723 40.800 0.083 0.000 0.948 197 D HN 0.307 nan 8.370 nan 0.000 0.472 198 K N 0.345 120.864 120.400 0.198 0.000 2.103 198 K HA -0.010 4.310 4.320 0.000 0.000 0.204 198 K C 2.014 178.746 176.600 0.221 0.000 1.052 198 K CA 0.288 56.703 56.287 0.213 0.000 0.945 198 K CB -0.095 32.571 32.500 0.276 0.000 0.722 198 K HN 0.214 nan 8.250 nan 0.000 0.443 199 I N -0.646 120.009 120.570 0.142 0.000 2.361 199 I HA -0.225 3.945 4.170 0.000 0.000 0.251 199 I C 2.066 178.082 176.117 -0.168 0.000 1.133 199 I CA 1.084 62.329 61.300 -0.092 0.000 1.413 199 I CB -1.115 36.731 38.000 -0.257 0.000 1.073 199 I HN 0.191 nan 8.210 nan 0.000 0.424 200 W N 1.639 122.936 121.300 -0.006 0.000 2.407 200 W HA -0.104 4.556 4.660 0.000 0.000 0.305 200 W C 2.617 179.137 176.519 0.002 0.000 1.196 200 W CA 0.676 58.014 57.345 -0.011 0.000 1.311 200 W CB -0.378 29.082 29.460 -0.001 0.000 1.135 200 W HN 0.122 nan 8.180 nan 0.000 0.514 201 E N 0.082 120.434 120.200 0.253 0.000 2.147 201 E HA -0.304 4.046 4.350 0.000 0.000 0.199 201 E C 1.949 178.617 176.600 0.112 0.000 1.005 201 E CA 1.738 58.233 56.400 0.158 0.000 0.810 201 E CB -0.490 29.287 29.700 0.128 0.000 0.736 201 E HN 0.202 nan 8.360 nan 0.000 0.460 202 L N 0.622 121.895 121.223 0.083 0.000 2.023 202 L HA -0.134 4.206 4.340 0.000 0.000 0.205 202 L C 2.133 178.979 176.870 -0.041 0.000 1.073 202 L CA 1.418 56.265 54.840 0.012 0.000 0.745 202 L CB -0.399 41.625 42.059 -0.058 0.000 0.900 202 L HN 0.087 nan 8.230 nan 0.000 0.435 203 L N -0.170 121.000 121.223 -0.088 0.000 2.043 203 L HA -0.278 4.062 4.340 0.000 0.000 0.212 203 L C 2.316 179.224 176.870 0.062 0.000 1.075 203 L CA 1.584 56.372 54.840 -0.087 0.000 0.752 203 L CB -0.924 41.032 42.059 -0.171 0.000 0.891 203 L HN 0.358 nan 8.230 nan 0.000 0.432 204 D N 0.024 120.510 120.400 0.142 0.000 2.087 204 D HA -0.198 4.443 4.640 0.000 0.000 0.192 204 D C 2.261 178.626 176.300 0.109 0.000 0.993 204 D CA 1.615 55.707 54.000 0.153 0.000 0.828 204 D CB -0.314 40.579 40.800 0.155 0.000 0.968 204 D HN 0.328 nan 8.370 nan 0.000 0.448 205 A N 1.028 123.893 122.820 0.076 0.000 1.940 205 A HA -0.242 4.078 4.320 0.000 0.000 0.221 205 A C 2.420 180.057 177.584 0.088 0.000 1.190 205 A CA 1.425 53.497 52.037 0.058 0.000 0.647 205 A CB -0.933 18.068 19.000 0.002 0.000 0.821 205 A HN 0.247 nan 8.150 nan 0.000 0.457 206 I N -0.395 120.206 120.570 0.052 0.000 2.076 206 I HA -0.282 3.888 4.170 0.000 0.000 0.237 206 I C 2.146 178.350 176.117 0.145 0.000 1.059 206 I CA 1.740 63.074 61.300 0.057 0.000 1.317 206 I CB -0.692 37.255 38.000 -0.088 0.000 1.037 206 I HN 0.274 nan 8.210 nan 0.000 0.398 207 D N 0.700 121.200 120.400 0.167 0.000 2.157 207 D HA -0.200 4.440 4.640 0.000 0.000 0.191 207 D C 1.960 178.361 176.300 0.168 0.000 1.004 207 D CA 1.433 55.560 54.000 0.211 0.000 0.854 207 D CB -0.282 40.636 40.800 0.197 0.000 0.936 207 D HN 0.460 nan 8.370 nan 0.000 0.446 208 E N 0.072 120.363 120.200 0.151 0.000 1.999 208 E HA -0.147 4.203 4.350 0.000 0.000 0.198 208 E C 2.128 178.819 176.600 0.152 0.000 0.960 208 E CA 0.142 56.624 56.400 0.136 0.000 0.870 208 E CB -1.269 28.509 29.700 0.129 0.000 0.827 208 E HN 0.274 nan 8.360 nan 0.000 0.511 209 Y N 1.608 121.924 120.300 0.027 0.000 2.100 209 Y HA -0.246 4.305 4.550 0.000 0.000 0.267 209 Y C 1.094 177.034 175.900 0.067 0.000 1.250 209 Y CA 1.229 59.321 58.100 -0.013 0.000 1.105 209 Y CB -0.237 38.173 38.460 -0.082 0.000 0.924 209 Y HN 0.033 nan 8.280 nan 0.000 0.508 210 I N 3.570 124.274 120.570 0.222 0.000 2.671 210 I HA -0.023 4.147 4.170 0.000 0.000 0.285 210 I C -2.129 174.073 176.117 0.143 0.000 1.148 210 I CA -2.275 59.148 61.300 0.204 0.000 1.386 210 I CB -0.433 37.700 38.000 0.222 0.000 1.406 210 I HN 0.090 nan 8.210 nan 0.000 0.540 211 P HA 0.130 nan 4.420 nan 0.000 0.271 211 P C -0.422 176.933 177.300 0.093 0.000 1.218 211 P CA -0.191 62.962 63.100 0.087 0.000 0.780 211 P CB 0.310 32.044 31.700 0.056 0.000 0.901 212 T N 3.459 118.059 114.554 0.077 0.000 2.897 212 T HA 0.320 4.670 4.350 0.000 0.000 0.294 212 T C -1.915 172.818 174.700 0.055 0.000 1.004 212 T CA -1.183 60.960 62.100 0.072 0.000 1.106 212 T CB -0.540 68.362 68.868 0.057 0.000 0.949 212 T HN 0.363 nan 8.240 nan 0.000 0.520 213 P HA 0.030 nan 4.420 nan 0.000 0.271 213 P C -0.701 176.617 177.300 0.030 0.000 1.212 213 P CA -0.286 62.840 63.100 0.043 0.000 0.788 213 P CB 0.339 32.067 31.700 0.047 0.000 0.865 214 V N 3.136 123.063 119.914 0.022 0.000 2.318 214 V HA 0.177 4.297 4.120 0.000 0.000 0.271 214 V C 1.347 177.450 176.094 0.015 0.000 1.030 214 V CA -0.434 61.876 62.300 0.017 0.000 0.844 214 V CB 0.185 32.015 31.823 0.012 0.000 1.015 214 V HN 0.507 nan 8.190 nan 0.000 0.460 215 R N 2.772 123.281 120.500 0.015 0.000 2.862 215 R HA -0.055 4.285 4.340 0.000 0.000 0.267 215 R C 0.816 177.122 176.300 0.010 0.000 0.995 215 R CA 0.244 56.351 56.100 0.011 0.000 1.140 215 R CB 0.374 30.681 30.300 0.011 0.000 1.031 215 R HN 0.704 nan 8.270 nan 0.000 0.459 216 D N 0.873 121.277 120.400 0.007 0.000 2.113 216 D HA -0.143 4.497 4.640 0.000 0.000 0.206 216 D C 1.779 178.091 176.300 0.020 0.000 0.979 216 D CA 1.793 55.799 54.000 0.009 0.000 0.862 216 D CB -0.464 40.337 40.800 0.002 0.000 1.013 216 D HN 0.462 nan 8.370 nan 0.000 0.455 217 V N 0.443 120.371 119.914 0.023 0.000 2.736 217 V HA -0.222 3.898 4.120 0.000 0.000 0.262 217 V C 1.228 177.344 176.094 0.037 0.000 1.114 217 V CA 1.984 64.305 62.300 0.035 0.000 1.133 217 V CB -0.486 31.353 31.823 0.027 0.000 0.703 217 V HN -0.056 nan 8.190 nan 0.000 0.495 218 D N 0.113 120.529 120.400 0.027 0.000 2.249 218 D HA 0.064 4.704 4.640 0.000 0.000 0.205 218 D C 1.016 177.334 176.300 0.030 0.000 0.962 218 D CA 0.729 54.745 54.000 0.026 0.000 0.860 218 D CB -0.026 40.785 40.800 0.019 0.000 0.955 218 D HN 0.592 nan 8.370 nan 0.000 0.505 219 K N 1.321 121.738 120.400 0.029 0.000 2.295 219 K HA 0.215 4.535 4.320 0.000 0.000 0.270 219 K C -2.413 174.214 176.600 0.045 0.000 1.011 219 K CA -1.470 54.833 56.287 0.027 0.000 0.953 219 K CB 0.254 32.762 32.500 0.014 0.000 0.956 219 K HN -0.139 nan 8.250 nan 0.000 0.477 220 P HA -0.182 nan 4.420 nan 0.000 0.266 220 P C -0.555 176.799 177.300 0.090 0.000 1.180 220 P CA 0.209 63.348 63.100 0.065 0.000 0.765 220 P CB 0.272 31.993 31.700 0.036 0.000 0.806 221 F N 4.217 124.164 119.950 -0.006 0.000 2.490 221 F HA 0.439 4.966 4.527 0.000 0.000 0.336 221 F C -0.100 175.695 175.800 -0.009 0.000 1.178 221 F CA 0.081 58.076 58.000 -0.008 0.000 1.301 221 F CB 0.126 39.120 39.000 -0.010 0.000 1.175 221 F HN 0.213 nan 8.300 nan 0.000 0.593 222 L N 6.830 127.163 121.223 -1.482 0.000 2.781 222 L HA 0.369 4.709 4.340 0.000 0.000 0.256 222 L C -2.068 174.217 176.870 -0.974 0.000 0.930 222 L CA -0.418 53.741 54.840 -1.136 0.000 0.967 222 L CB 1.435 43.225 42.059 -0.448 0.000 1.551 222 L HN 0.835 nan 8.230 nan 0.000 0.445 223 M N 6.673 125.875 119.600 -0.663 0.000 2.322 223 M HA 0.548 5.028 4.480 0.000 0.000 0.286 223 M C -2.981 173.241 176.300 -0.129 0.000 1.111 223 M CA -1.410 53.734 55.300 -0.260 0.000 0.941 223 M CB 3.329 35.909 32.600 -0.033 0.000 1.671 223 M HN 0.278 nan 8.290 nan 0.000 0.470 224 P HA 0.242 nan 4.420 nan 0.000 0.287 224 P C -0.738 176.558 177.300 -0.008 0.000 1.294 224 P CA -0.298 62.786 63.100 -0.027 0.000 0.776 224 P CB 0.844 32.544 31.700 0.000 0.000 0.889 225 V N 4.592 124.499 119.914 -0.011 0.000 2.572 225 V HA 0.022 4.142 4.120 0.000 0.000 0.291 225 V C 1.559 177.649 176.094 -0.006 0.000 1.039 225 V CA 0.615 62.904 62.300 -0.019 0.000 1.055 225 V CB 0.240 32.041 31.823 -0.036 0.000 0.969 225 V HN 0.575 nan 8.190 nan 0.000 0.482 226 E N 1.918 122.110 120.200 -0.013 0.000 2.134 226 E HA 0.136 4.486 4.350 0.000 0.000 0.194 226 E C -0.211 176.382 176.600 -0.012 0.000 0.937 226 E CA 0.144 56.551 56.400 0.011 0.000 0.874 226 E CB 0.458 30.176 29.700 0.030 0.000 0.853 226 E HN 0.731 nan 8.360 nan 0.000 0.471 227 D N -0.057 120.306 120.400 -0.062 0.000 2.477 227 D HA 0.484 5.124 4.640 0.000 0.000 0.234 227 D C -1.036 175.031 176.300 -0.389 0.000 1.048 227 D CA -0.490 53.437 54.000 -0.122 0.000 0.959 227 D CB 3.037 43.862 40.800 0.042 0.000 1.408 227 D HN -0.188 nan 8.370 nan 0.000 0.496 228 V N 1.427 121.034 119.914 -0.511 0.000 2.817 228 V HA 0.484 4.604 4.120 0.000 0.000 0.303 228 V C -1.027 174.752 176.094 -0.525 0.000 1.151 228 V CA -0.650 61.272 62.300 -0.632 0.000 0.929 228 V CB 1.497 33.165 31.823 -0.259 0.000 1.030 228 V HN 0.597 nan 8.190 nan 0.000 0.427 229 F N 0.833 120.788 119.950 0.009 0.000 3.750 229 F HA 0.940 5.467 4.527 0.000 0.000 0.327 229 F C 0.049 175.853 175.800 0.006 0.000 1.225 229 F CA -0.635 57.370 58.000 0.007 0.000 0.928 229 F CB 0.995 40.000 39.000 0.008 0.000 1.670 229 F HN 0.453 nan 8.300 nan 0.000 0.521 230 T N -0.660 114.123 114.554 0.382 0.000 2.792 230 T HA 0.680 5.030 4.350 0.000 0.000 0.303 230 T C -1.444 173.354 174.700 0.163 0.000 1.310 230 T CA -0.538 61.684 62.100 0.204 0.000 1.007 230 T CB 2.323 71.257 68.868 0.110 0.000 1.335 230 T HN 0.587 nan 8.240 nan 0.000 0.504 231 I N 2.497 123.130 120.570 0.105 0.000 2.926 231 I HA 0.197 4.367 4.170 0.000 0.000 0.295 231 I C 0.568 176.709 176.117 0.040 0.000 1.463 231 I CA -0.307 61.030 61.300 0.062 0.000 0.892 231 I CB -0.073 37.968 38.000 0.067 0.000 1.874 231 I HN 1.120 nan 8.210 nan 0.000 0.620 232 T N 0.523 115.096 114.554 0.033 0.000 2.076 232 T HA -0.059 4.291 4.350 0.000 0.000 0.264 232 T C 1.392 176.104 174.700 0.020 0.000 1.051 232 T CA 1.034 63.148 62.100 0.023 0.000 2.020 232 T CB -0.409 68.468 68.868 0.014 0.000 1.024 232 T HN 1.240 nan 8.240 nan 0.000 0.392 233 G N 3.404 112.215 108.800 0.019 0.000 2.299 233 G HA2 -0.329 3.631 3.960 0.000 0.000 0.237 233 G HA3 -0.329 3.631 3.960 0.000 0.000 0.237 233 G C 1.223 176.133 174.900 0.017 0.000 1.027 233 G CA 0.429 45.538 45.100 0.015 0.000 0.619 233 G HN 0.738 nan 8.290 nan 0.000 0.513 234 R N 0.980 121.494 120.500 0.023 0.000 2.057 234 R HA 0.456 4.796 4.340 0.000 0.000 0.224 234 R C 1.598 177.913 176.300 0.025 0.000 1.136 234 R CA 2.042 58.157 56.100 0.025 0.000 0.968 234 R CB -0.809 29.512 30.300 0.034 0.000 0.863 234 R HN 1.714 nan 8.270 nan 0.000 0.433 235 G N -0.346 108.473 108.800 0.032 0.000 2.315 235 G HA2 -0.153 3.807 3.960 0.000 0.000 0.296 235 G HA3 -0.153 3.807 3.960 0.000 0.000 0.296 235 G C -0.983 173.939 174.900 0.037 0.000 1.289 235 G CA -0.384 44.732 45.100 0.027 0.000 0.996 235 G HN 0.201 nan 8.290 nan 0.000 0.487 236 T N -1.613 112.954 114.554 0.022 0.000 2.832 236 T HA 0.630 4.980 4.350 0.000 0.000 0.296 236 T C -0.084 174.612 174.700 -0.006 0.000 0.968 236 T CA -0.466 61.642 62.100 0.014 0.000 1.107 236 T CB 1.648 70.512 68.868 -0.006 0.000 0.916 236 T HN 1.254 nan 8.240 nan 0.000 0.517 237 V N 2.198 122.098 119.914 -0.023 0.000 2.604 237 V HA 0.795 4.915 4.120 0.000 0.000 0.305 237 V C 0.007 175.934 176.094 -0.278 0.000 1.043 237 V CA -1.007 61.250 62.300 -0.071 0.000 0.888 237 V CB 1.703 33.562 31.823 0.060 0.000 0.995 237 V HN 1.282 nan 8.190 nan 0.000 0.429 238 A N 2.671 125.368 122.820 -0.207 0.000 2.343 238 A HA 0.803 5.123 4.320 0.000 0.000 0.308 238 A C -0.014 177.479 177.584 -0.151 0.000 1.092 238 A CA -0.234 51.654 52.037 -0.248 0.000 0.751 238 A CB 1.577 20.490 19.000 -0.146 0.000 1.203 238 A HN 0.932 nan 8.150 nan 0.000 0.452 239 T N -0.047 114.407 114.554 -0.167 0.000 2.862 239 T HA 0.855 5.205 4.350 0.000 0.000 0.276 239 T C 0.366 175.053 174.700 -0.020 0.000 0.974 239 T CA 0.124 62.196 62.100 -0.046 0.000 0.966 239 T CB 1.474 70.354 68.868 0.021 0.000 1.072 239 T HN 2.461 nan 8.240 nan 0.000 0.538 240 G N 0.264 109.067 108.800 0.005 0.000 2.337 240 G HA2 0.299 4.259 3.960 0.000 0.000 0.310 240 G HA3 0.299 4.259 3.960 0.000 0.000 0.310 240 G C -1.370 173.540 174.900 0.015 0.000 1.534 240 G CA -1.068 44.039 45.100 0.011 0.000 0.982 240 G HN 0.848 nan 8.290 nan 0.000 0.672 241 R N 0.964 121.470 120.500 0.011 0.000 2.254 241 R HA 0.538 4.878 4.340 0.000 0.000 0.318 241 R C 0.603 176.913 176.300 0.016 0.000 1.031 241 R CA -0.736 55.369 56.100 0.009 0.000 0.905 241 R CB 0.313 30.613 30.300 -0.000 0.000 1.050 241 R HN 0.479 nan 8.270 nan 0.000 0.456 242 I N 3.831 124.429 120.570 0.047 0.000 2.710 242 I HA -0.092 4.078 4.170 0.000 0.000 0.286 242 I C 1.442 177.565 176.117 0.010 0.000 1.181 242 I CA 0.489 61.831 61.300 0.069 0.000 1.430 242 I CB 0.910 39.019 38.000 0.181 0.000 1.367 242 I HN 0.810 nan 8.210 nan 0.000 0.577 243 E N 5.626 125.797 120.200 -0.048 0.000 2.127 243 E HA 0.042 4.392 4.350 0.000 0.000 0.191 243 E C 0.320 176.901 176.600 -0.033 0.000 0.964 243 E CA 0.339 56.708 56.400 -0.051 0.000 0.832 243 E CB 0.602 30.253 29.700 -0.082 0.000 0.790 243 E HN 0.705 nan 8.360 nan 0.000 0.465 244 R N -1.706 118.770 120.500 -0.040 0.000 2.716 244 R HA 0.536 4.876 4.340 0.000 0.000 0.271 244 R C -0.229 176.123 176.300 0.086 0.000 1.028 244 R CA -0.344 55.761 56.100 0.007 0.000 0.883 244 R CB 1.024 31.314 30.300 -0.017 0.000 1.250 244 R HN 0.133 nan 8.270 nan 0.000 0.465 245 G N 1.070 109.938 108.800 0.114 0.000 2.782 245 G HA2 -0.157 3.803 3.960 0.000 0.000 0.228 245 G HA3 -0.157 3.803 3.960 0.000 0.000 0.228 245 G C -1.286 173.741 174.900 0.211 0.000 1.372 245 G CA -0.170 45.041 45.100 0.185 0.000 0.862 245 G HN 0.741 nan 8.290 nan 0.000 0.547 246 K N -1.629 118.856 120.400 0.142 0.000 2.378 246 K HA 0.858 5.178 4.320 0.000 0.000 0.244 246 K C -1.058 175.435 176.600 -0.177 0.000 1.039 246 K CA -0.849 55.448 56.287 0.016 0.000 0.863 246 K CB 2.982 35.478 32.500 -0.006 0.000 1.326 246 K HN 1.282 nan 8.250 nan 0.000 0.460 247 V N 1.806 121.570 119.914 -0.249 0.000 2.839 247 V HA 0.188 4.308 4.120 0.000 0.000 0.284 247 V C -1.326 174.628 176.094 -0.234 0.000 1.397 247 V CA -0.623 61.444 62.300 -0.387 0.000 0.938 247 V CB 1.636 32.925 31.823 -0.889 0.000 1.112 247 V HN 0.855 nan 8.190 nan 0.000 0.443 248 K N 5.082 125.378 120.400 -0.174 0.000 2.264 248 K HA 0.738 5.058 4.320 0.000 0.000 0.272 248 K C -0.404 176.131 176.600 -0.108 0.000 1.003 248 K CA -0.376 55.843 56.287 -0.112 0.000 1.266 248 K CB 0.866 33.321 32.500 -0.076 0.000 1.820 248 K HN 0.450 nan 8.250 nan 0.000 0.818 249 V N -0.518 119.352 119.914 -0.073 0.000 2.834 249 V HA 0.429 4.549 4.120 0.000 0.000 0.313 249 V C 1.130 177.192 176.094 -0.053 0.000 1.060 249 V CA 0.233 62.496 62.300 -0.060 0.000 0.989 249 V CB 0.516 32.314 31.823 -0.040 0.000 1.041 249 V HN 1.056 nan 8.190 nan 0.000 0.459 250 G N 1.679 110.452 108.800 -0.045 0.000 2.212 250 G HA2 -0.209 3.751 3.960 0.000 0.000 0.266 250 G HA3 -0.209 3.751 3.960 0.000 0.000 0.266 250 G C -0.027 174.848 174.900 -0.041 0.000 0.978 250 G CA 0.260 45.339 45.100 -0.036 0.000 0.632 250 G HN 0.698 nan 8.290 nan 0.000 0.537 251 D N 0.800 121.164 120.400 -0.060 0.000 2.414 251 D HA 0.451 5.091 4.640 0.000 0.000 0.242 251 D C 0.613 176.885 176.300 -0.047 0.000 1.129 251 D CA 0.121 54.081 54.000 -0.067 0.000 0.885 251 D CB 1.034 41.762 40.800 -0.119 0.000 1.198 251 D HN 0.520 nan 8.370 nan 0.000 0.437 252 E N 0.930 121.114 120.200 -0.027 0.000 2.259 252 E HA 0.435 4.785 4.350 0.000 0.000 0.281 252 E C -1.121 175.486 176.600 0.012 0.000 1.027 252 E CA -0.515 55.880 56.400 -0.008 0.000 0.838 252 E CB 0.991 30.690 29.700 -0.002 0.000 1.066 252 E HN 0.113 nan 8.360 nan 0.000 0.401 253 V N 3.340 123.268 119.914 0.024 0.000 3.158 253 V HA 0.538 4.658 4.120 0.000 0.000 0.311 253 V C -1.256 174.866 176.094 0.046 0.000 1.181 253 V CA -0.587 61.750 62.300 0.063 0.000 1.054 253 V CB 2.295 34.175 31.823 0.095 0.000 1.085 253 V HN 0.875 nan 8.190 nan 0.000 0.446 254 E N 1.207 121.439 120.200 0.054 0.000 2.288 254 E HA 0.575 4.925 4.350 0.000 0.000 0.268 254 E C -1.442 175.165 176.600 0.010 0.000 0.885 254 E CA -0.585 55.827 56.400 0.020 0.000 0.767 254 E CB 2.228 31.932 29.700 0.006 0.000 1.220 254 E HN 0.569 nan 8.360 nan 0.000 0.427 255 I N 3.655 124.220 120.570 -0.008 0.000 2.412 255 I HA 0.236 4.406 4.170 0.000 0.000 0.279 255 I C -0.795 175.299 176.117 -0.039 0.000 1.063 255 I CA -0.667 60.621 61.300 -0.020 0.000 1.193 255 I CB 0.880 38.869 38.000 -0.019 0.000 1.370 255 I HN 0.125 nan 8.210 nan 0.000 0.479 256 V N 4.498 124.381 119.914 -0.051 0.000 2.539 256 V HA 0.918 5.038 4.120 0.000 0.000 0.292 256 V C 0.610 176.656 176.094 -0.080 0.000 1.045 256 V CA -0.545 61.711 62.300 -0.073 0.000 0.945 256 V CB 1.076 32.847 31.823 -0.086 0.000 0.993 256 V HN 0.971 nan 8.190 nan 0.000 0.464 257 G N 2.379 111.124 108.800 -0.092 0.000 2.742 257 G HA2 0.124 4.084 3.960 0.000 0.000 0.686 257 G HA3 0.124 4.084 3.960 0.000 0.000 0.686 257 G C -0.287 174.569 174.900 -0.074 0.000 1.220 257 G CA -0.421 44.623 45.100 -0.093 0.000 0.783 257 G HN 1.281 nan 8.290 nan 0.000 0.646 258 L N -1.463 119.715 121.223 -0.076 0.000 3.832 258 L HA -0.310 4.030 4.340 0.000 0.000 0.359 258 L C 2.100 178.938 176.870 -0.053 0.000 2.750 258 L CA 2.269 57.074 54.840 -0.058 0.000 2.342 258 L CB -1.761 40.271 42.059 -0.044 0.000 2.206 258 L HN 2.398 nan 8.230 nan 0.000 0.725 259 A N 1.057 123.847 122.820 -0.052 0.000 2.406 259 A HA 0.428 4.748 4.320 0.000 0.000 0.243 259 A C -0.713 176.841 177.584 -0.050 0.000 1.082 259 A CA -0.040 51.970 52.037 -0.045 0.000 0.786 259 A CB -0.211 18.765 19.000 -0.041 0.000 1.029 259 A HN 0.343 nan 8.150 nan 0.000 0.495 260 P HA -0.015 nan 4.420 nan 0.000 0.223 260 P C 0.000 177.272 177.300 -0.046 0.000 1.151 260 P CA 1.164 64.238 63.100 -0.042 0.000 0.787 260 P CB 0.285 31.965 31.700 -0.033 0.000 0.788 261 E N -1.478 118.694 120.200 -0.046 0.000 2.383 261 E HA 0.272 4.622 4.350 0.000 0.000 0.275 261 E C -0.843 175.727 176.600 -0.049 0.000 0.918 261 E CA -0.634 55.738 56.400 -0.047 0.000 0.764 261 E CB 1.639 31.318 29.700 -0.036 0.000 1.252 261 E HN -0.313 nan 8.360 nan 0.000 0.449 262 T N 2.346 116.868 114.554 -0.053 0.000 2.776 262 T HA 0.162 4.512 4.350 0.000 0.000 0.292 262 T C 0.169 174.848 174.700 -0.035 0.000 0.921 262 T CA -0.070 62.000 62.100 -0.050 0.000 1.038 262 T CB 0.031 68.864 68.868 -0.058 0.000 0.910 262 T HN 0.098 nan 8.240 nan 0.000 0.536 263 R N 2.420 122.902 120.500 -0.030 0.000 2.531 263 R HA 0.503 4.843 4.340 0.000 0.000 0.273 263 R C 0.228 176.519 176.300 -0.015 0.000 1.070 263 R CA -0.648 55.439 56.100 -0.021 0.000 1.112 263 R CB 0.590 30.878 30.300 -0.020 0.000 1.049 263 R HN 0.602 nan 8.270 nan 0.000 0.508 264 R N 0.032 120.526 120.500 -0.010 0.000 2.621 264 R HA 0.419 4.759 4.340 0.000 0.000 0.284 264 R C -0.894 175.405 176.300 -0.003 0.000 0.998 264 R CA -0.649 55.448 56.100 -0.004 0.000 0.895 264 R CB 1.703 32.001 30.300 -0.003 0.000 1.195 264 R HN 0.745 nan 8.270 nan 0.000 0.450 265 T N -1.176 113.379 114.554 0.001 0.000 2.570 265 T HA 0.703 5.053 4.350 0.000 0.000 0.239 265 T C -0.788 173.911 174.700 -0.001 0.000 0.829 265 T CA -0.437 61.662 62.100 -0.002 0.000 1.264 265 T CB 0.745 69.611 68.868 -0.003 0.000 1.546 265 T HN 0.339 nan 8.240 nan 0.000 0.465 266 V N 0.763 120.674 119.914 -0.005 0.000 2.971 266 V HA 0.547 4.667 4.120 0.000 0.000 0.309 266 V C -0.428 175.656 176.094 -0.016 0.000 1.130 266 V CA -1.011 61.282 62.300 -0.011 0.000 0.964 266 V CB 2.319 34.135 31.823 -0.013 0.000 1.029 266 V HN 0.877 nan 8.190 nan 0.000 0.427 267 V N 2.906 122.803 119.914 -0.029 0.000 2.655 267 V HA 0.172 4.292 4.120 0.000 0.000 0.300 267 V C 1.061 177.138 176.094 -0.029 0.000 1.044 267 V CA 0.493 62.772 62.300 -0.036 0.000 1.095 267 V CB 1.067 32.850 31.823 -0.067 0.000 0.952 267 V HN 1.077 nan 8.190 nan 0.000 0.485 268 T N 2.051 116.592 114.554 -0.021 0.000 3.182 268 T HA 0.542 4.892 4.350 0.000 0.000 0.277 268 T C 0.415 175.107 174.700 -0.013 0.000 1.013 268 T CA 0.344 62.435 62.100 -0.015 0.000 0.900 268 T CB 0.257 69.121 68.868 -0.007 0.000 1.098 268 T HN 1.237 nan 8.240 nan 0.000 0.543 269 G N 0.372 109.160 108.800 -0.021 0.000 2.352 269 G HA2 0.397 4.357 3.960 0.000 0.000 0.303 269 G HA3 0.397 4.357 3.960 0.000 0.000 0.303 269 G C -1.874 173.014 174.900 -0.021 0.000 1.593 269 G CA -0.802 44.288 45.100 -0.017 0.000 0.963 269 G HN 0.157 nan 8.290 nan 0.000 0.685 270 V N 0.298 120.199 119.914 -0.021 0.000 2.914 270 V HA 0.935 5.055 4.120 0.000 0.000 0.314 270 V C -0.175 175.915 176.094 -0.007 0.000 1.084 270 V CA -0.651 61.636 62.300 -0.023 0.000 0.963 270 V CB 2.155 33.953 31.823 -0.042 0.000 1.025 270 V HN 1.102 nan 8.190 nan 0.000 0.432 271 E N 2.510 122.709 120.200 -0.001 0.000 2.506 271 E HA 0.375 4.725 4.350 0.000 0.000 0.308 271 E C -1.648 174.954 176.600 0.003 0.000 0.931 271 E CA -0.467 55.939 56.400 0.010 0.000 0.800 271 E CB 1.665 31.379 29.700 0.025 0.000 1.292 271 E HN 0.732 nan 8.360 nan 0.000 0.401 272 M N 4.205 123.806 119.600 0.002 0.000 2.268 272 M HA 0.347 4.827 4.480 0.000 0.000 0.344 272 M C -0.467 175.849 176.300 0.027 0.000 1.106 272 M CA -0.068 55.206 55.300 -0.043 0.000 1.010 272 M CB 0.511 33.082 32.600 -0.048 0.000 1.649 272 M HN 0.923 nan 8.290 nan 0.000 0.443 273 H N 1.317 120.404 119.070 0.029 0.000 2.776 273 H HA -0.220 4.336 4.556 0.000 0.000 0.300 273 H C 0.326 175.668 175.328 0.023 0.000 1.161 273 H CA 1.233 57.296 56.048 0.025 0.000 1.147 273 H CB -1.683 28.089 29.762 0.018 0.000 1.366 273 H HN 0.946 nan 8.280 nan 0.000 0.397 274 R N -2.662 117.901 120.500 0.106 0.000 3.209 274 R HA 0.043 4.383 4.340 0.000 0.000 0.252 274 R C 0.083 176.423 176.300 0.067 0.000 0.958 274 R CA 2.351 58.497 56.100 0.076 0.000 0.651 274 R CB -2.972 27.368 30.300 0.067 0.000 1.142 274 R HN 1.444 nan 8.270 nan 0.000 0.441 275 K N 0.269 120.706 120.400 0.062 0.000 2.865 275 K HA 0.597 4.917 4.320 0.000 0.000 0.259 275 K C 0.376 176.998 176.600 0.037 0.000 1.236 275 K CA 0.198 56.514 56.287 0.048 0.000 1.024 275 K CB -0.685 31.850 32.500 0.058 0.000 1.344 275 K HN 1.580 nan 8.250 nan 0.000 0.558 276 T N 1.637 116.206 114.554 0.025 0.000 2.288 276 T HA -0.133 4.217 4.350 0.000 0.000 0.206 276 T C 0.286 174.993 174.700 0.012 0.000 1.007 276 T CA 0.641 62.749 62.100 0.015 0.000 1.345 276 T CB -0.207 68.668 68.868 0.010 0.000 0.995 276 T HN 0.585 nan 8.240 nan 0.000 0.401 277 L N 3.169 124.394 121.223 0.003 0.000 2.381 277 L HA 0.246 4.586 4.340 0.000 0.000 0.268 277 L C 1.752 178.615 176.870 -0.012 0.000 0.997 277 L CA -0.972 53.867 54.840 -0.002 0.000 0.818 277 L CB 1.797 43.853 42.059 -0.005 0.000 1.310 277 L HN 0.793 nan 8.230 nan 0.000 0.416 278 Q N 1.664 121.458 119.800 -0.010 0.000 2.030 278 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 278 Q C 0.057 176.040 176.000 -0.028 0.000 0.986 278 Q CA 1.354 57.147 55.803 -0.016 0.000 0.843 278 Q CB 0.179 28.910 28.738 -0.011 0.000 0.904 278 Q HN 0.546 nan 8.270 nan 0.000 0.420 279 E N -0.720 119.463 120.200 -0.029 0.000 2.352 279 E HA 0.469 4.819 4.350 0.000 0.000 0.280 279 E C -1.573 175.004 176.600 -0.039 0.000 0.930 279 E CA -0.437 55.936 56.400 -0.045 0.000 0.765 279 E CB 2.084 31.760 29.700 -0.041 0.000 1.219 279 E HN 0.240 nan 8.360 nan 0.000 0.434 280 G N 3.234 111.998 108.800 -0.059 0.000 2.372 280 G HA2 0.624 4.584 3.960 0.000 0.000 0.323 280 G HA3 0.624 4.584 3.960 0.000 0.000 0.323 280 G C -0.338 174.553 174.900 -0.015 0.000 1.152 280 G CA -0.519 44.560 45.100 -0.035 0.000 0.906 280 G HN 0.480 nan 8.290 nan 0.000 0.460 281 I N -0.295 120.285 120.570 0.018 0.000 2.957 281 I HA 0.847 5.017 4.170 0.000 0.000 0.310 281 I C 0.603 176.760 176.117 0.066 0.000 1.063 281 I CA -1.571 59.756 61.300 0.044 0.000 1.033 281 I CB 2.106 40.121 38.000 0.025 0.000 1.230 281 I HN 0.616 nan 8.210 nan 0.000 0.447 282 A N 2.485 125.351 122.820 0.078 0.000 2.600 282 A HA 0.349 4.669 4.320 0.000 0.000 0.244 282 A C 1.337 178.940 177.584 0.031 0.000 1.016 282 A CA 0.988 53.061 52.037 0.060 0.000 0.778 282 A CB -1.284 17.741 19.000 0.042 0.000 0.920 282 A HN 2.155 nan 8.150 nan 0.000 0.513 283 G N 2.022 110.836 108.800 0.023 0.000 2.157 283 G HA2 -0.159 3.801 3.960 0.000 0.000 0.239 283 G HA3 -0.159 3.801 3.960 0.000 0.000 0.239 283 G C -0.282 174.622 174.900 0.006 0.000 0.982 283 G CA 0.262 45.366 45.100 0.008 0.000 0.650 283 G HN 0.866 nan 8.290 nan 0.000 0.527 284 D N 0.838 121.247 120.400 0.014 0.000 2.280 284 D HA 0.323 4.963 4.640 0.000 0.000 0.236 284 D C -0.056 176.234 176.300 -0.017 0.000 1.082 284 D CA -0.457 53.541 54.000 -0.003 0.000 0.834 284 D CB 0.640 41.443 40.800 0.006 0.000 1.100 284 D HN 0.045 nan 8.370 nan 0.000 0.486 285 N N 2.219 120.884 118.700 -0.059 0.000 2.421 285 N HA 0.103 4.843 4.740 0.000 0.000 0.260 285 N C -0.080 175.373 175.510 -0.096 0.000 1.173 285 N CA 0.029 53.035 53.050 -0.074 0.000 0.960 285 N CB 0.563 38.982 38.487 -0.113 0.000 1.273 285 N HN 0.269 nan 8.380 nan 0.000 0.497 286 V N 0.032 119.925 119.914 -0.036 0.000 3.184 286 V HA 1.025 5.145 4.120 0.000 0.000 0.308 286 V C 0.305 176.400 176.094 0.001 0.000 1.243 286 V CA -0.792 61.493 62.300 -0.025 0.000 1.058 286 V CB 1.548 33.369 31.823 -0.003 0.000 1.183 286 V HN 0.396 nan 8.190 nan 0.000 0.471 287 G N -0.742 108.064 108.800 0.010 0.000 2.719 287 G HA2 0.660 4.620 3.960 0.000 0.000 0.298 287 G HA3 0.660 4.620 3.960 0.000 0.000 0.298 287 G C -1.771 173.136 174.900 0.012 0.000 1.411 287 G CA -0.468 44.644 45.100 0.018 0.000 0.991 287 G HN 1.198 nan 8.290 nan 0.000 0.509 288 V N 1.978 121.892 119.914 0.000 0.000 2.733 288 V HA 0.573 4.693 4.120 0.000 0.000 0.306 288 V C -0.005 176.082 176.094 -0.010 0.000 1.084 288 V CA -0.812 61.486 62.300 -0.003 0.000 0.905 288 V CB 1.560 33.384 31.823 0.001 0.000 1.010 288 V HN 0.902 nan 8.190 nan 0.000 0.424 289 L N 3.631 124.851 121.223 -0.004 0.000 2.360 289 L HA 0.858 5.198 4.340 0.000 0.000 0.271 289 L C -0.957 175.908 176.870 -0.007 0.000 1.057 289 L CA -0.675 54.163 54.840 -0.003 0.000 0.803 289 L CB 1.040 43.104 42.059 0.009 0.000 1.207 289 L HN 0.291 nan 8.230 nan 0.000 0.445 290 L N 0.689 121.907 121.223 -0.007 0.000 2.350 290 L HA 0.609 4.949 4.340 0.000 0.000 0.260 290 L C -0.321 176.546 176.870 -0.005 0.000 1.015 290 L CA -0.738 54.098 54.840 -0.007 0.000 0.821 290 L CB 1.633 43.688 42.059 -0.007 0.000 1.370 290 L HN 0.705 nan 8.230 nan 0.000 0.416 291 R N 0.296 120.792 120.500 -0.005 0.000 2.221 291 R HA 0.511 4.851 4.340 0.000 0.000 0.327 291 R C 0.579 176.876 176.300 -0.004 0.000 1.033 291 R CA 0.282 56.380 56.100 -0.004 0.000 0.887 291 R CB 0.868 31.165 30.300 -0.005 0.000 1.057 291 R HN 0.981 nan 8.270 nan 0.000 0.455 292 G N 1.642 110.440 108.800 -0.003 0.000 2.248 292 G HA2 -0.215 3.745 3.960 0.000 0.000 0.263 292 G HA3 -0.215 3.745 3.960 0.000 0.000 0.263 292 G C -0.259 174.638 174.900 -0.005 0.000 1.082 292 G CA 0.160 45.258 45.100 -0.004 0.000 0.863 292 G HN 0.583 nan 8.290 nan 0.000 0.495 293 V N -1.817 118.094 119.914 -0.005 0.000 2.445 293 V HA 0.850 4.970 4.120 0.000 0.000 0.283 293 V C 0.571 176.662 176.094 -0.006 0.000 1.014 293 V CA -0.261 62.035 62.300 -0.008 0.000 0.852 293 V CB 0.718 32.534 31.823 -0.011 0.000 1.021 293 V HN 1.550 nan 8.190 nan 0.000 0.435 294 S N 4.570 120.267 115.700 -0.006 0.000 2.598 294 S HA 0.230 4.700 4.470 0.000 0.000 0.256 294 S C 1.152 175.749 174.600 -0.004 0.000 1.350 294 S CA 0.222 58.421 58.200 -0.002 0.000 0.984 294 S CB 0.945 64.144 63.200 -0.002 0.000 0.930 294 S HN 0.956 nan 8.310 nan 0.000 0.577 295 R N 0.707 121.208 120.500 0.002 0.000 2.148 295 R HA -0.029 4.311 4.340 0.000 0.000 0.223 295 R C 2.317 178.614 176.300 -0.005 0.000 1.088 295 R CA 1.760 57.862 56.100 0.003 0.000 0.985 295 R CB -1.327 28.986 30.300 0.022 0.000 0.880 295 R HN 0.941 nan 8.270 nan 0.000 0.451 296 E N 0.891 121.090 120.200 -0.003 0.000 2.358 296 E HA -0.072 4.278 4.350 0.000 0.000 0.195 296 E C 1.436 178.028 176.600 -0.013 0.000 1.010 296 E CA 0.788 57.184 56.400 -0.006 0.000 0.856 296 E CB -0.330 29.368 29.700 -0.003 0.000 0.795 296 E HN 0.625 nan 8.360 nan 0.000 0.504 297 E N -0.735 119.456 120.200 -0.015 0.000 2.502 297 E HA 0.219 4.569 4.350 0.000 0.000 0.194 297 E C -0.452 176.132 176.600 -0.026 0.000 1.062 297 E CA -0.025 56.364 56.400 -0.019 0.000 0.867 297 E CB 0.641 30.331 29.700 -0.016 0.000 0.888 297 E HN 0.295 nan 8.360 nan 0.000 0.510 298 V N 0.923 120.819 119.914 -0.031 0.000 3.048 298 V HA 0.267 4.387 4.120 0.000 0.000 0.303 298 V C -1.363 174.702 176.094 -0.049 0.000 1.214 298 V CA -0.925 61.350 62.300 -0.041 0.000 0.984 298 V CB 2.462 34.255 31.823 -0.049 0.000 1.054 298 V HN 0.173 nan 8.190 nan 0.000 0.430 299 E N 1.230 121.401 120.200 -0.050 0.000 2.422 299 E HA 0.481 4.831 4.350 0.000 0.000 0.280 299 E C -0.703 175.871 176.600 -0.042 0.000 1.091 299 E CA -1.159 55.212 56.400 -0.049 0.000 0.849 299 E CB 0.722 30.403 29.700 -0.032 0.000 1.353 299 E HN 0.680 nan 8.360 nan 0.000 0.449 300 R N 0.178 120.657 120.500 -0.035 0.000 2.678 300 R HA 0.243 4.583 4.340 0.000 0.000 0.264 300 R C 0.914 177.209 176.300 -0.008 0.000 0.995 300 R CA 1.928 58.017 56.100 -0.017 0.000 1.098 300 R CB -0.397 29.900 30.300 -0.005 0.000 0.949 300 R HN 1.029 nan 8.270 nan 0.000 0.422 301 G N 1.396 110.204 108.800 0.013 0.000 2.454 301 G HA2 -0.345 3.615 3.960 0.000 0.000 0.225 301 G HA3 -0.345 3.615 3.960 0.000 0.000 0.225 301 G C 0.199 175.105 174.900 0.011 0.000 1.138 301 G CA 0.329 45.445 45.100 0.026 0.000 0.667 301 G HN 0.681 nan 8.290 nan 0.000 0.512 302 Q N -0.021 119.771 119.800 -0.014 0.000 2.651 302 Q HA 0.559 4.899 4.340 0.000 0.000 0.224 302 Q C -0.328 175.655 176.000 -0.029 0.000 1.094 302 Q CA 0.737 56.523 55.803 -0.029 0.000 1.018 302 Q CB 1.404 30.120 28.738 -0.035 0.000 1.292 302 Q HN 0.626 nan 8.270 nan 0.000 0.588 303 V N 1.631 121.519 119.914 -0.043 0.000 3.048 303 V HA 0.456 4.576 4.120 0.000 0.000 0.303 303 V C -1.700 174.359 176.094 -0.058 0.000 1.214 303 V CA -0.798 61.469 62.300 -0.055 0.000 0.984 303 V CB 2.094 33.875 31.823 -0.070 0.000 1.054 303 V HN 0.607 nan 8.190 nan 0.000 0.430 304 L N 3.581 124.768 121.223 -0.061 0.000 2.362 304 L HA 1.089 5.429 4.340 0.000 0.000 0.275 304 L C -0.522 176.293 176.870 -0.091 0.000 0.998 304 L CA -0.419 54.413 54.840 -0.013 0.000 0.820 304 L CB 1.320 43.429 42.059 0.083 0.000 1.270 304 L HN 0.828 nan 8.230 nan 0.000 0.415 305 A N 2.746 125.550 122.820 -0.026 0.000 2.581 305 A HA 0.470 4.790 4.320 0.000 0.000 0.290 305 A C -0.892 176.769 177.584 0.129 0.000 1.119 305 A CA -0.914 51.085 52.037 -0.064 0.000 0.670 305 A CB 1.339 20.211 19.000 -0.213 0.000 1.280 305 A HN 0.811 nan 8.150 nan 0.000 0.425 306 K N 0.803 121.311 120.400 0.181 0.000 2.477 306 K HA 0.124 4.444 4.320 0.000 0.000 0.275 306 K C -2.317 174.323 176.600 0.068 0.000 1.054 306 K CA -0.461 55.914 56.287 0.145 0.000 1.135 306 K CB -0.132 32.441 32.500 0.121 0.000 0.854 306 K HN 0.295 nan 8.250 nan 0.000 0.484 307 P HA -0.067 nan 4.420 nan 0.000 0.263 307 P C 0.525 177.834 177.300 0.016 0.000 1.175 307 P CA 1.175 64.291 63.100 0.027 0.000 0.761 307 P CB 0.658 32.372 31.700 0.022 0.000 0.794 308 G N 2.209 111.011 108.800 0.004 0.000 2.284 308 G HA2 -0.356 3.604 3.960 0.000 0.000 0.261 308 G HA3 -0.356 3.604 3.960 0.000 0.000 0.261 308 G C 1.671 176.572 174.900 0.003 0.000 0.997 308 G CA 0.697 45.798 45.100 0.002 0.000 0.621 308 G HN 0.483 nan 8.290 nan 0.000 0.534 309 S N -0.514 115.189 115.700 0.005 0.000 2.359 309 S HA 0.088 4.558 4.470 0.000 0.000 0.223 309 S C 1.150 175.747 174.600 -0.004 0.000 1.039 309 S CA 1.463 59.665 58.200 0.003 0.000 1.042 309 S CB -0.047 63.154 63.200 0.001 0.000 0.915 309 S HN 0.760 nan 8.310 nan 0.000 0.439 310 I N 0.463 121.024 120.570 -0.015 0.000 2.828 310 I HA 0.375 4.545 4.170 0.000 0.000 0.302 310 I C -0.894 175.206 176.117 -0.029 0.000 1.101 310 I CA -0.548 60.745 61.300 -0.012 0.000 1.031 310 I CB 2.262 40.242 38.000 -0.033 0.000 1.231 310 I HN 0.235 nan 8.210 nan 0.000 0.427 311 T N 3.131 117.677 114.554 -0.013 0.000 2.926 311 T HA 0.665 5.015 4.350 0.000 0.000 0.289 311 T C -2.873 171.624 174.700 -0.338 0.000 1.054 311 T CA -1.963 60.052 62.100 -0.142 0.000 1.015 311 T CB 1.600 70.386 68.868 -0.136 0.000 1.167 311 T HN 0.330 nan 8.240 nan 0.000 0.526 312 P HA 0.583 nan 4.420 nan 0.000 0.288 312 P C -1.331 175.493 177.300 -0.794 0.000 1.267 312 P CA -0.295 62.530 63.100 -0.459 0.000 0.815 312 P CB 0.660 32.197 31.700 -0.272 0.000 0.989 313 H N -0.687 118.311 119.070 -0.120 0.000 2.966 313 H HA 0.521 5.077 4.556 0.000 0.000 0.330 313 H C 0.635 175.911 175.328 -0.087 0.000 1.292 313 H CA -0.493 55.505 56.048 -0.085 0.000 1.127 313 H CB 1.617 31.339 29.762 -0.067 0.000 1.863 313 H HN 0.328 nan 8.280 nan 0.000 0.543 314 T N -3.513 111.111 114.554 0.116 0.000 3.010 314 T HA 0.345 4.695 4.350 0.000 0.000 0.253 314 T C 0.586 175.362 174.700 0.126 0.000 0.939 314 T CA 0.224 62.361 62.100 0.062 0.000 0.910 314 T CB 0.070 68.944 68.868 0.010 0.000 1.226 314 T HN 0.596 nan 8.240 nan 0.000 0.508 315 K N 1.350 121.835 120.400 0.141 0.000 2.244 315 K HA 0.778 5.098 4.320 0.000 0.000 0.260 315 K C -0.798 175.921 176.600 0.199 0.000 0.951 315 K CA -1.133 55.212 56.287 0.097 0.000 0.826 315 K CB 0.722 33.243 32.500 0.034 0.000 1.108 315 K HN 0.581 nan 8.250 nan 0.000 0.433 316 F N -1.554 118.390 119.950 -0.010 0.000 2.779 316 F HA 0.690 5.217 4.527 0.000 0.000 0.316 316 F C -0.510 175.328 175.800 0.063 0.000 1.164 316 F CA -1.225 56.776 58.000 0.001 0.000 0.924 316 F CB 1.270 40.259 39.000 -0.019 0.000 1.348 316 F HN 0.532 nan 8.300 nan 0.000 0.467 317 E N 0.905 121.240 120.200 0.225 0.000 2.207 317 E HA 0.810 5.160 4.350 0.000 0.000 0.270 317 E C -1.442 175.342 176.600 0.308 0.000 0.927 317 E CA -1.200 55.282 56.400 0.136 0.000 0.799 317 E CB 2.065 31.832 29.700 0.112 0.000 1.172 317 E HN 1.056 nan 8.360 nan 0.000 0.404 318 A N 1.909 124.830 122.820 0.169 0.000 2.605 318 A HA 0.431 4.752 4.320 0.000 0.000 0.294 318 A C -1.257 176.325 177.584 -0.004 0.000 1.062 318 A CA -0.616 51.561 52.037 0.235 0.000 0.682 318 A CB 1.843 21.207 19.000 0.607 0.000 1.278 318 A HN 0.405 nan 8.150 nan 0.000 0.410 319 S N 0.556 116.276 115.700 0.032 0.000 2.480 319 S HA 0.716 5.186 4.470 0.000 0.000 0.286 319 S C -0.323 174.238 174.600 -0.066 0.000 1.180 319 S CA -0.302 57.877 58.200 -0.037 0.000 1.075 319 S CB 0.366 63.577 63.200 0.017 0.000 0.996 319 S HN 1.257 nan 8.310 nan 0.000 0.487 320 V N 4.039 123.896 119.914 -0.095 0.000 3.164 320 V HA 0.657 4.777 4.120 0.000 0.000 0.313 320 V C -1.411 174.738 176.094 0.091 0.000 1.188 320 V CA -0.946 61.334 62.300 -0.033 0.000 1.058 320 V CB 1.829 33.639 31.823 -0.021 0.000 1.110 320 V HN 0.877 nan 8.190 nan 0.000 0.453 321 Y N 0.016 120.307 120.300 -0.015 0.000 2.362 321 Y HA 0.695 5.245 4.550 0.000 0.000 0.326 321 Y C -1.104 174.820 175.900 0.039 0.000 1.083 321 Y CA -0.703 57.400 58.100 0.005 0.000 1.073 321 Y CB 1.715 40.153 38.460 -0.037 0.000 1.211 321 Y HN 0.377 nan 8.280 nan 0.000 0.433 322 V N 7.252 126.789 119.914 -0.629 0.000 2.465 322 V HA 0.240 4.360 4.120 0.000 0.000 0.279 322 V C -0.067 175.547 176.094 -0.799 0.000 1.045 322 V CA -0.656 61.376 62.300 -0.447 0.000 0.938 322 V CB 0.968 32.708 31.823 -0.139 0.000 0.986 322 V HN 0.644 nan 8.190 nan 0.000 0.467 323 L N 6.014 127.019 121.223 -0.364 0.000 2.453 323 L HA 0.184 4.524 4.340 0.000 0.000 0.272 323 L C 0.876 177.656 176.870 -0.150 0.000 1.182 323 L CA 0.647 55.387 54.840 -0.167 0.000 0.858 323 L CB 0.027 42.084 42.059 -0.003 0.000 1.120 323 L HN 0.576 nan 8.230 nan 0.000 0.474 324 K N 2.608 122.963 120.400 -0.074 0.000 2.230 324 K HA -0.002 4.318 4.320 0.000 0.000 0.253 324 K C 0.969 177.517 176.600 -0.087 0.000 1.008 324 K CA -0.425 55.821 56.287 -0.069 0.000 0.910 324 K CB 0.562 33.056 32.500 -0.009 0.000 0.994 324 K HN 0.431 nan 8.250 nan 0.000 0.495 325 K N 1.494 121.821 120.400 -0.122 0.000 2.103 325 K HA -0.220 4.100 4.320 0.000 0.000 0.207 325 K C 1.231 177.736 176.600 -0.159 0.000 1.048 325 K CA 1.860 58.020 56.287 -0.211 0.000 0.930 325 K CB 0.134 32.486 32.500 -0.246 0.000 0.716 325 K HN 0.466 nan 8.250 nan 0.000 0.444 326 E N 0.917 121.066 120.200 -0.084 0.000 2.072 326 E HA -0.140 4.210 4.350 0.000 0.000 0.191 326 E C 1.128 177.710 176.600 -0.029 0.000 0.985 326 E CA 1.420 57.793 56.400 -0.046 0.000 0.801 326 E CB 0.024 29.711 29.700 -0.021 0.000 0.750 326 E HN 0.432 nan 8.360 nan 0.000 0.452 327 E N -0.121 120.069 120.200 -0.016 0.000 2.505 327 E HA 0.067 4.417 4.350 0.000 0.000 0.197 327 E C 0.646 177.241 176.600 -0.008 0.000 1.111 327 E CA 0.306 56.709 56.400 0.006 0.000 0.887 327 E CB -0.086 29.642 29.700 0.048 0.000 0.913 327 E HN 0.389 nan 8.360 nan 0.000 0.517 328 G N 0.835 109.611 108.800 -0.039 0.000 2.159 328 G HA2 -0.280 3.680 3.960 0.000 0.000 0.256 328 G HA3 -0.280 3.680 3.960 0.000 0.000 0.256 328 G C 0.580 175.449 174.900 -0.051 0.000 0.977 328 G CA -0.160 44.916 45.100 -0.040 0.000 0.652 328 G HN 0.530 nan 8.290 nan 0.000 0.531 329 G N -0.705 108.052 108.800 -0.072 0.000 2.553 329 G HA2 0.531 4.491 3.960 0.000 0.000 0.278 329 G HA3 0.531 4.491 3.960 0.000 0.000 0.278 329 G C 0.596 175.436 174.900 -0.100 0.000 1.349 329 G CA -0.294 44.767 45.100 -0.065 0.000 1.037 329 G HN 0.576 nan 8.290 nan 0.000 0.508 330 R N -1.463 119.009 120.500 -0.047 0.000 2.919 330 R HA 0.021 4.361 4.340 0.000 0.000 0.271 330 R C 1.137 177.382 176.300 -0.093 0.000 0.995 330 R CA 0.127 56.225 56.100 -0.003 0.000 1.158 330 R CB 0.165 30.480 30.300 0.025 0.000 1.071 330 R HN 0.666 nan 8.270 nan 0.000 0.476 331 H N -0.854 118.210 119.070 -0.010 0.000 2.557 331 H HA 0.060 4.616 4.556 0.000 0.000 0.281 331 H C 0.544 175.857 175.328 -0.025 0.000 0.990 331 H CA 1.099 57.139 56.048 -0.013 0.000 1.278 331 H CB 0.823 30.582 29.762 -0.005 0.000 1.451 331 H HN 0.601 nan 8.280 nan 0.000 0.516 332 T N -1.618 112.984 114.554 0.080 0.000 2.762 332 T HA 0.580 4.930 4.350 0.000 0.000 0.272 332 T C 0.833 175.497 174.700 -0.059 0.000 0.982 332 T CA -0.614 61.488 62.100 0.003 0.000 1.013 332 T CB 1.893 70.766 68.868 0.010 0.000 1.309 332 T HN 0.156 nan 8.240 nan 0.000 0.572 333 G N -0.576 108.132 108.800 -0.154 0.000 2.702 333 G HA2 0.743 4.703 3.960 0.000 0.000 0.254 333 G HA3 0.743 4.703 3.960 0.000 0.000 0.254 333 G C -1.175 173.509 174.900 -0.361 0.000 1.380 333 G CA -1.081 43.836 45.100 -0.305 0.000 1.042 333 G HN 0.962 nan 8.290 nan 0.000 0.557 334 F N -3.175 116.337 119.950 -0.729 0.000 2.741 334 F HA 0.781 5.308 4.527 0.000 0.000 0.313 334 F C -1.724 173.512 175.800 -0.940 0.000 1.153 334 F CA -1.916 55.584 58.000 -0.835 0.000 0.931 334 F CB 1.059 39.508 39.000 -0.918 0.000 1.335 334 F HN 0.393 nan 8.300 nan 0.000 0.460 335 F N -0.544 119.429 119.950 0.039 0.000 2.740 335 F HA 0.697 5.224 4.527 0.000 0.000 0.357 335 F C 0.429 176.298 175.800 0.115 0.000 1.141 335 F CA -1.611 56.389 58.000 -0.001 0.000 1.044 335 F CB 0.820 39.812 39.000 -0.014 0.000 1.430 335 F HN 0.509 nan 8.300 nan 0.000 0.518 336 S N 0.094 115.961 115.700 0.277 0.000 2.558 336 S HA 0.367 4.837 4.470 0.000 0.000 0.288 336 S C 0.903 175.611 174.600 0.179 0.000 1.318 336 S CA 0.980 59.280 58.200 0.167 0.000 1.056 336 S CB 0.173 63.438 63.200 0.108 0.000 0.853 336 S HN 1.144 nan 8.310 nan 0.000 0.505 337 G N 1.709 110.594 108.800 0.141 0.000 2.259 337 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 337 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 337 G C 0.016 175.020 174.900 0.173 0.000 1.001 337 G CA -0.151 45.026 45.100 0.128 0.000 0.627 337 G HN 0.728 nan 8.290 nan 0.000 0.501 338 Y N 2.545 122.875 120.300 0.050 0.000 2.969 338 Y HA 0.302 4.852 4.550 0.000 0.000 0.339 338 Y C 0.927 176.805 175.900 -0.036 0.000 1.272 338 Y CA 0.509 58.594 58.100 -0.025 0.000 1.577 338 Y CB 0.289 38.647 38.460 -0.171 0.000 1.234 338 Y HN 0.403 nan 8.280 nan 0.000 0.590 339 R N 8.519 128.893 120.500 -0.211 0.000 2.443 339 R HA 0.398 4.738 4.340 0.000 0.000 0.287 339 R C -2.821 173.263 176.300 -0.360 0.000 1.425 339 R CA -1.528 54.446 56.100 -0.210 0.000 1.300 339 R CB 0.598 30.865 30.300 -0.056 0.000 1.129 339 R HN 0.500 nan 8.270 nan 0.000 0.577 340 P HA 0.355 nan 4.420 nan 0.000 0.348 340 P C -1.246 176.000 177.300 -0.091 0.000 1.239 340 P CA -0.551 62.272 63.100 -0.461 0.000 0.783 340 P CB 1.062 32.209 31.700 -0.921 0.000 1.515 341 Q N -0.509 119.162 119.800 -0.214 0.000 2.293 341 Q HA 0.479 4.819 4.340 0.000 0.000 0.261 341 Q C -1.217 174.694 176.000 -0.149 0.000 0.960 341 Q CA -0.110 55.687 55.803 -0.009 0.000 0.882 341 Q CB 1.048 29.764 28.738 -0.036 0.000 1.275 341 Q HN 0.352 nan 8.270 nan 0.000 0.445 342 F N 1.984 121.943 119.950 0.015 0.000 2.443 342 F HA 0.177 4.704 4.527 0.000 0.000 0.369 342 F C -0.275 175.508 175.800 -0.029 0.000 1.090 342 F CA -1.265 56.718 58.000 -0.028 0.000 1.129 342 F CB 0.337 39.281 39.000 -0.093 0.000 1.367 342 F HN 0.391 nan 8.300 nan 0.000 0.465 343 Y N 3.439 123.748 120.300 0.015 0.000 2.754 343 Y HA 0.138 4.688 4.550 0.000 0.000 0.349 343 Y C -0.799 175.059 175.900 -0.070 0.000 1.179 343 Y CA -0.769 57.342 58.100 0.019 0.000 1.538 343 Y CB -0.268 38.200 38.460 0.013 0.000 1.200 343 Y HN 0.368 nan 8.280 nan 0.000 0.522 344 F N 7.141 127.359 119.950 0.447 0.000 2.318 344 F HA 0.354 4.881 4.527 0.000 0.000 0.356 344 F C 0.850 176.800 175.800 0.250 0.000 1.109 344 F CA -0.358 57.802 58.000 0.267 0.000 1.234 344 F CB 0.232 39.297 39.000 0.107 0.000 1.545 344 F HN 0.652 nan 8.300 nan 0.000 0.534 345 R N -0.868 119.829 120.500 0.328 0.000 1.305 345 R HA -0.243 4.097 4.340 0.000 0.000 0.021 345 R C 1.615 178.145 176.300 0.384 0.000 0.959 345 R CA 1.918 58.138 56.100 0.200 0.000 1.968 345 R CB -1.419 28.983 30.300 0.170 0.000 0.170 345 R HN 0.519 nan 8.270 nan 0.000 0.730 346 T N -2.352 112.464 114.554 0.436 0.000 2.964 346 T HA 0.115 4.465 4.350 0.000 0.000 0.249 346 T C 1.016 175.812 174.700 0.160 0.000 1.000 346 T CA 0.679 63.013 62.100 0.389 0.000 0.992 346 T CB 0.364 69.329 68.868 0.162 0.000 1.087 346 T HN 0.578 nan 8.240 nan 0.000 0.489 347 T N 0.753 115.385 114.554 0.131 0.000 2.753 347 T HA 0.429 4.779 4.350 0.000 0.000 0.309 347 T C -1.003 173.560 174.700 -0.229 0.000 1.043 347 T CA -0.109 61.976 62.100 -0.025 0.000 0.964 347 T CB 0.692 69.613 68.868 0.089 0.000 1.206 347 T HN 0.146 nan 8.240 nan 0.000 0.528 348 D N -0.149 120.190 120.400 -0.102 0.000 2.914 348 D HA 0.335 4.975 4.640 0.000 0.000 0.236 348 D C -1.015 175.311 176.300 0.043 0.000 1.405 348 D CA -0.299 53.654 54.000 -0.079 0.000 0.900 348 D CB 0.531 41.186 40.800 -0.241 0.000 1.518 348 D HN 0.488 nan 8.370 nan 0.000 0.548 349 V N 0.922 120.928 119.914 0.153 0.000 2.904 349 V HA 0.531 4.651 4.120 0.000 0.000 0.305 349 V C 0.821 177.018 176.094 0.172 0.000 1.067 349 V CA -0.110 62.265 62.300 0.125 0.000 1.044 349 V CB 1.933 33.815 31.823 0.099 0.000 1.050 349 V HN 0.381 nan 8.190 nan 0.000 0.475 350 T N 2.133 116.735 114.554 0.080 0.000 2.875 350 T HA 0.712 5.062 4.350 0.000 0.000 0.284 350 T C 0.147 174.829 174.700 -0.030 0.000 0.995 350 T CA -0.006 62.145 62.100 0.084 0.000 1.060 350 T CB 1.446 70.334 68.868 0.034 0.000 0.967 350 T HN 1.103 nan 8.240 nan 0.000 0.476 351 G N 0.347 109.137 108.800 -0.017 0.000 2.660 351 G HA2 0.594 4.554 3.960 0.000 0.000 0.290 351 G HA3 0.594 4.554 3.960 0.000 0.000 0.290 351 G C -1.318 173.561 174.900 -0.034 0.000 1.432 351 G CA -0.738 44.250 45.100 -0.186 0.000 0.807 351 G HN 0.837 nan 8.290 nan 0.000 0.485 352 V N -1.004 118.870 119.914 -0.066 0.000 2.448 352 V HA 0.762 4.882 4.120 0.000 0.000 0.295 352 V C 0.267 176.348 176.094 -0.021 0.000 1.025 352 V CA -1.065 61.226 62.300 -0.016 0.000 0.859 352 V CB 1.032 32.848 31.823 -0.012 0.000 0.988 352 V HN 0.661 nan 8.190 nan 0.000 0.431 353 V N 3.535 123.443 119.914 -0.011 0.000 2.775 353 V HA 0.401 4.521 4.120 0.000 0.000 0.299 353 V C 0.169 176.225 176.094 -0.063 0.000 1.062 353 V CA 0.009 62.236 62.300 -0.123 0.000 1.063 353 V CB 1.216 32.866 31.823 -0.288 0.000 0.994 353 V HN 1.003 nan 8.190 nan 0.000 0.483 354 Q N 3.652 123.418 119.800 -0.058 0.000 2.616 354 Q HA 0.435 4.775 4.340 0.000 0.000 0.250 354 Q C -0.939 175.104 176.000 0.073 0.000 0.991 354 Q CA -0.216 55.600 55.803 0.021 0.000 0.707 354 Q CB 0.836 29.594 28.738 0.033 0.000 1.247 354 Q HN 0.721 nan 8.270 nan 0.000 0.491 355 L N 5.391 126.649 121.223 0.058 0.000 2.540 355 L HA 0.247 4.587 4.340 0.000 0.000 0.276 355 L C -1.659 175.278 176.870 0.112 0.000 1.212 355 L CA -1.094 53.811 54.840 0.109 0.000 0.893 355 L CB 0.038 42.139 42.059 0.070 0.000 1.138 355 L HN 0.451 nan 8.230 nan 0.000 0.491 356 P HA 0.322 nan 4.420 nan 0.000 0.279 356 P C -2.663 174.680 177.300 0.071 0.000 1.276 356 P CA -2.008 61.150 63.100 0.097 0.000 0.801 356 P CB -0.138 31.626 31.700 0.106 0.000 1.127 357 P HA 0.105 nan 4.420 nan 0.000 0.265 357 P C 1.016 178.340 177.300 0.041 0.000 1.193 357 P CA 1.299 64.424 63.100 0.042 0.000 0.765 357 P CB -0.254 31.467 31.700 0.035 0.000 0.823 358 G N 1.166 109.986 108.800 0.034 0.000 2.284 358 G HA2 -0.200 3.760 3.960 0.000 0.000 0.230 358 G HA3 -0.200 3.760 3.960 0.000 0.000 0.230 358 G C -0.129 174.788 174.900 0.028 0.000 1.021 358 G CA -0.117 45.000 45.100 0.029 0.000 0.619 358 G HN 0.555 nan 8.290 nan 0.000 0.510 359 V N 1.277 121.214 119.914 0.038 0.000 2.370 359 V HA 0.558 4.678 4.120 0.000 0.000 0.283 359 V C 0.840 176.955 176.094 0.035 0.000 1.023 359 V CA 0.215 62.533 62.300 0.031 0.000 0.857 359 V CB 1.413 33.267 31.823 0.052 0.000 0.985 359 V HN 0.457 nan 8.190 nan 0.000 0.443 360 E N 3.786 124.002 120.200 0.026 0.000 2.290 360 E HA 0.312 4.662 4.350 0.000 0.000 0.199 360 E C 0.384 177.055 176.600 0.117 0.000 0.912 360 E CA 0.225 56.670 56.400 0.075 0.000 0.924 360 E CB 1.004 30.750 29.700 0.075 0.000 0.901 360 E HN 0.688 nan 8.360 nan 0.000 0.487 361 M N 0.562 120.136 119.600 -0.044 0.000 2.520 361 M HA 0.441 4.921 4.480 0.000 0.000 0.283 361 M C -2.048 173.985 176.300 -0.445 0.000 1.237 361 M CA -0.765 54.347 55.300 -0.313 0.000 0.885 361 M CB 2.307 34.755 32.600 -0.254 0.000 1.727 361 M HN -0.241 nan 8.290 nan 0.000 0.468 362 V N 3.774 123.209 119.914 -0.798 0.000 2.604 362 V HA 0.601 4.721 4.120 0.000 0.000 0.305 362 V C -0.510 175.176 176.094 -0.681 0.000 1.043 362 V CA -0.562 61.294 62.300 -0.741 0.000 0.888 362 V CB 1.940 33.153 31.823 -1.016 0.000 0.995 362 V HN 0.985 nan 8.190 nan 0.000 0.429 363 M N 4.455 123.830 119.600 -0.374 0.000 2.724 363 M HA 0.559 5.039 4.480 0.000 0.000 0.310 363 M C -2.798 173.398 176.300 -0.175 0.000 1.217 363 M CA -2.020 53.127 55.300 -0.254 0.000 0.894 363 M CB 2.012 34.502 32.600 -0.184 0.000 1.719 363 M HN 0.284 nan 8.290 nan 0.000 0.479 364 P HA 0.069 nan 4.420 nan 0.000 0.262 364 P C 0.708 177.915 177.300 -0.155 0.000 1.182 364 P CA 1.152 64.171 63.100 -0.135 0.000 0.761 364 P CB 0.354 31.989 31.700 -0.108 0.000 0.795 365 G N 2.001 110.641 108.800 -0.266 0.000 2.234 365 G HA2 -0.193 3.767 3.960 0.000 0.000 0.235 365 G HA3 -0.193 3.767 3.960 0.000 0.000 0.235 365 G C 0.060 174.868 174.900 -0.154 0.000 0.997 365 G CA -0.292 44.686 45.100 -0.203 0.000 0.623 365 G HN 0.495 nan 8.290 nan 0.000 0.514 366 D N 0.936 121.233 120.400 -0.170 0.000 2.382 366 D HA 0.372 5.012 4.640 0.000 0.000 0.240 366 D C 0.465 176.757 176.300 -0.013 0.000 1.146 366 D CA 0.307 54.263 54.000 -0.074 0.000 0.897 366 D CB 0.303 41.048 40.800 -0.091 0.000 1.197 366 D HN 0.387 nan 8.370 nan 0.000 0.432 367 N N 0.255 118.995 118.700 0.066 0.000 2.417 367 N HA 0.441 5.181 4.740 0.000 0.000 0.274 367 N C -1.121 174.431 175.510 0.070 0.000 0.987 367 N CA -0.533 52.586 53.050 0.115 0.000 0.912 367 N CB 1.639 40.206 38.487 0.133 0.000 1.177 367 N HN 0.040 nan 8.380 nan 0.000 0.490 368 V N 0.607 120.559 119.914 0.063 0.000 3.165 368 V HA 0.592 4.712 4.120 0.000 0.000 0.309 368 V C -0.367 175.706 176.094 -0.035 0.000 1.267 368 V CA -0.673 61.660 62.300 0.056 0.000 1.067 368 V CB 2.271 34.195 31.823 0.169 0.000 1.082 368 V HN 0.534 nan 8.190 nan 0.000 0.451 369 T N 2.808 117.352 114.554 -0.016 0.000 3.170 369 T HA 0.716 5.067 4.350 0.000 0.000 0.315 369 T C -1.142 173.577 174.700 0.032 0.000 0.967 369 T CA -0.201 61.850 62.100 -0.081 0.000 1.024 369 T CB 0.657 69.532 68.868 0.011 0.000 1.018 369 T HN 0.683 nan 8.240 nan 0.000 0.449 370 F N -0.534 119.486 119.950 0.118 0.000 2.664 370 F HA 0.858 5.385 4.527 0.000 0.000 0.317 370 F C 0.102 175.919 175.800 0.030 0.000 1.108 370 F CA -1.446 56.605 58.000 0.085 0.000 0.957 370 F CB 0.371 39.443 39.000 0.121 0.000 1.365 370 F HN 0.391 nan 8.300 nan 0.000 0.475 371 T N -0.376 114.377 114.554 0.333 0.000 2.918 371 T HA 0.806 5.156 4.350 0.000 0.000 0.283 371 T C -0.724 173.996 174.700 0.034 0.000 1.001 371 T CA -0.662 61.490 62.100 0.086 0.000 1.041 371 T CB 1.671 70.556 68.868 0.029 0.000 1.028 371 T HN 0.708 nan 8.240 nan 0.000 0.511 372 V N 0.748 120.462 119.914 -0.333 0.000 3.049 372 V HA 0.629 4.750 4.120 0.000 0.000 0.309 372 V C -0.737 175.129 176.094 -0.380 0.000 1.148 372 V CA -0.906 61.156 62.300 -0.398 0.000 0.990 372 V CB 2.108 33.548 31.823 -0.639 0.000 1.039 372 V HN 1.075 nan 8.190 nan 0.000 0.430 373 E N 2.427 122.493 120.200 -0.224 0.000 2.263 373 E HA 0.676 5.026 4.350 0.000 0.000 0.268 373 E C -1.938 174.576 176.600 -0.142 0.000 0.884 373 E CA -0.551 55.772 56.400 -0.129 0.000 0.766 373 E CB 1.970 31.625 29.700 -0.074 0.000 1.196 373 E HN 0.562 nan 8.360 nan 0.000 0.416 374 L N 4.212 125.369 121.223 -0.109 0.000 2.332 374 L HA 0.496 4.836 4.340 0.000 0.000 0.269 374 L C 1.678 178.503 176.870 -0.075 0.000 1.016 374 L CA -0.619 54.144 54.840 -0.128 0.000 0.809 374 L CB 0.971 42.944 42.059 -0.145 0.000 1.280 374 L HN 0.663 nan 8.230 nan 0.000 0.447 375 I N -2.043 118.489 120.570 -0.064 0.000 2.252 375 I HA -0.013 4.157 4.170 0.000 0.000 0.245 375 I C 0.405 176.496 176.117 -0.043 0.000 1.102 375 I CA 1.237 62.511 61.300 -0.043 0.000 1.385 375 I CB -0.324 37.657 38.000 -0.032 0.000 1.064 375 I HN 0.447 nan 8.210 nan 0.000 0.414 376 K N 1.501 121.870 120.400 -0.052 0.000 2.259 376 K HA 0.525 4.845 4.320 0.000 0.000 0.249 376 K C -2.574 173.979 176.600 -0.078 0.000 0.942 376 K CA -2.068 54.185 56.287 -0.056 0.000 0.816 376 K CB 1.500 33.970 32.500 -0.050 0.000 1.155 376 K HN -0.099 nan 8.250 nan 0.000 0.428 377 P HA 0.164 nan 4.420 nan 0.000 0.272 377 P C -0.861 176.351 177.300 -0.148 0.000 1.230 377 P CA -0.431 62.603 63.100 -0.110 0.000 0.788 377 P CB 0.646 32.279 31.700 -0.111 0.000 0.949 378 V N 0.171 119.966 119.914 -0.198 0.000 3.087 378 V HA 0.551 4.671 4.120 0.000 0.000 0.306 378 V C -0.334 175.607 176.094 -0.254 0.000 1.187 378 V CA -1.219 60.928 62.300 -0.255 0.000 0.999 378 V CB 2.070 33.642 31.823 -0.419 0.000 1.049 378 V HN 0.626 nan 8.190 nan 0.000 0.431 379 A N 4.509 127.198 122.820 -0.218 0.000 2.473 379 A HA 0.610 4.930 4.320 0.000 0.000 0.282 379 A C -0.512 176.961 177.584 -0.186 0.000 1.163 379 A CA 0.380 52.317 52.037 -0.167 0.000 0.827 379 A CB -0.641 18.283 19.000 -0.127 0.000 1.098 379 A HN 0.684 nan 8.150 nan 0.000 0.515 380 L N 2.688 123.855 121.223 -0.094 0.000 2.354 380 L HA 0.702 5.042 4.340 0.000 0.000 0.269 380 L C 0.025 176.872 176.870 -0.038 0.000 1.005 380 L CA -0.587 54.172 54.840 -0.135 0.000 0.819 380 L CB 2.159 44.074 42.059 -0.241 0.000 1.311 380 L HN 0.920 nan 8.230 nan 0.000 0.423 381 E N 0.577 120.734 120.200 -0.071 0.000 2.352 381 E HA 0.353 4.703 4.350 0.000 0.000 0.280 381 E C -1.395 175.191 176.600 -0.022 0.000 0.930 381 E CA -0.967 55.411 56.400 -0.037 0.000 0.765 381 E CB 1.862 31.552 29.700 -0.017 0.000 1.219 381 E HN 0.422 nan 8.360 nan 0.000 0.434 382 E N 0.310 120.503 120.200 -0.013 0.000 2.481 382 E HA 0.197 4.547 4.350 0.000 0.000 0.263 382 E C 0.952 177.570 176.600 0.029 0.000 0.992 382 E CA 2.300 58.710 56.400 0.017 0.000 0.938 382 E CB 0.408 30.116 29.700 0.014 0.000 0.933 382 E HN 0.848 nan 8.360 nan 0.000 0.453 383 G N 2.577 111.408 108.800 0.051 0.000 2.268 383 G HA2 -0.301 3.659 3.960 0.000 0.000 0.240 383 G HA3 -0.301 3.659 3.960 0.000 0.000 0.240 383 G C 0.008 174.944 174.900 0.059 0.000 1.010 383 G CA 0.115 45.242 45.100 0.045 0.000 0.618 383 G HN 0.518 nan 8.290 nan 0.000 0.516 384 L N 2.732 124.005 121.223 0.084 0.000 2.562 384 L HA 0.572 4.912 4.340 0.000 0.000 0.271 384 L C 0.901 177.901 176.870 0.217 0.000 1.167 384 L CA -0.069 54.852 54.840 0.134 0.000 0.917 384 L CB 0.053 42.197 42.059 0.141 0.000 1.187 384 L HN 0.385 nan 8.230 nan 0.000 0.482 385 R N 4.079 124.654 120.500 0.126 0.000 2.583 385 R HA 0.642 4.982 4.340 0.000 0.000 0.268 385 R C -0.745 175.624 176.300 0.115 0.000 1.101 385 R CA 0.075 56.186 56.100 0.019 0.000 1.180 385 R CB 0.683 30.937 30.300 -0.076 0.000 1.128 385 R HN 0.774 nan 8.270 nan 0.000 0.568 386 F N -1.768 118.106 119.950 -0.127 0.000 3.250 386 F HA 0.736 5.263 4.527 0.000 0.000 0.326 386 F C -1.924 173.757 175.800 -0.198 0.000 1.154 386 F CA -1.128 56.699 58.000 -0.289 0.000 0.870 386 F CB 0.774 39.328 39.000 -0.745 0.000 1.476 386 F HN 0.562 nan 8.300 nan 0.000 0.491 387 A N 0.366 123.279 122.820 0.156 0.000 2.587 387 A HA 0.866 5.186 4.320 0.000 0.000 0.293 387 A C -1.884 175.784 177.584 0.139 0.000 1.087 387 A CA -0.812 51.268 52.037 0.072 0.000 0.692 387 A CB 1.568 20.565 19.000 -0.004 0.000 1.291 387 A HN 0.793 nan 8.150 nan 0.000 0.407 388 I N 0.694 121.269 120.570 0.009 0.000 2.646 388 I HA 0.735 4.905 4.170 0.000 0.000 0.299 388 I C 0.100 176.153 176.117 -0.106 0.000 1.036 388 I CA -0.514 60.686 61.300 -0.167 0.000 1.074 388 I CB 2.261 40.099 38.000 -0.270 0.000 1.258 388 I HN 0.887 nan 8.210 nan 0.000 0.430 389 R N 2.917 123.332 120.500 -0.142 0.000 2.710 389 R HA 0.571 4.911 4.340 0.000 0.000 0.270 389 R C -1.607 174.642 176.300 -0.086 0.000 1.021 389 R CA -0.939 55.120 56.100 -0.068 0.000 0.889 389 R CB 1.753 32.051 30.300 -0.005 0.000 1.243 389 R HN 0.482 nan 8.270 nan 0.000 0.464 390 E N 0.978 121.157 120.200 -0.035 0.000 2.376 390 E HA 0.262 4.612 4.350 0.000 0.000 0.236 390 E C -0.500 176.099 176.600 -0.002 0.000 0.962 390 E CA -0.265 56.123 56.400 -0.021 0.000 0.768 390 E CB 1.436 31.152 29.700 0.028 0.000 1.236 390 E HN 0.946 nan 8.360 nan 0.000 0.431 391 G N 1.801 110.594 108.800 -0.012 0.000 2.422 391 G HA2 -0.225 3.735 3.960 0.000 0.000 0.290 391 G HA3 -0.225 3.735 3.960 0.000 0.000 0.290 391 G C 0.899 175.804 174.900 0.007 0.000 1.059 391 G CA 0.272 45.371 45.100 -0.002 0.000 1.242 391 G HN 0.934 nan 8.290 nan 0.000 0.520 392 G N -0.568 108.235 108.800 0.006 0.000 2.530 392 G HA2 0.066 4.026 3.960 0.000 0.000 0.247 392 G HA3 0.066 4.026 3.960 0.000 0.000 0.247 392 G C 1.091 176.011 174.900 0.033 0.000 1.067 392 G CA 1.935 47.048 45.100 0.022 0.000 0.650 392 G HN 2.397 nan 8.290 nan 0.000 0.531 393 R N 1.176 121.692 120.500 0.027 0.000 2.370 393 R HA 0.611 4.951 4.340 0.000 0.000 0.309 393 R C 0.561 176.875 176.300 0.024 0.000 1.059 393 R CA 0.865 56.983 56.100 0.030 0.000 0.981 393 R CB -0.369 29.952 30.300 0.035 0.000 0.972 393 R HN 0.681 nan 8.270 nan 0.000 0.437 394 T N 2.279 116.849 114.554 0.027 0.000 2.834 394 T HA 0.292 4.642 4.350 0.000 0.000 0.298 394 T C 1.620 176.326 174.700 0.010 0.000 0.966 394 T CA 0.374 62.485 62.100 0.019 0.000 1.141 394 T CB 0.977 69.858 68.868 0.022 0.000 0.905 394 T HN 0.822 nan 8.240 nan 0.000 0.535 395 V N 0.787 120.699 119.914 -0.002 0.000 3.635 395 V HA 0.646 4.766 4.120 0.000 0.000 0.266 395 V C 0.771 176.860 176.094 -0.009 0.000 1.316 395 V CA 0.567 62.865 62.300 -0.003 0.000 1.060 395 V CB -0.119 31.710 31.823 0.009 0.000 0.820 395 V HN 0.910 nan 8.190 nan 0.000 0.447 396 G N -0.877 107.921 108.800 -0.003 0.000 2.645 396 G HA2 0.852 4.812 3.960 0.000 0.000 0.292 396 G HA3 0.852 4.812 3.960 0.000 0.000 0.292 396 G C -1.570 173.338 174.900 0.013 0.000 1.415 396 G CA -0.272 44.836 45.100 0.014 0.000 0.785 396 G HN 1.238 nan 8.290 nan 0.000 0.483 397 A N -1.302 121.518 122.820 0.001 0.000 2.547 397 A HA 0.924 5.244 4.320 0.000 0.000 0.298 397 A C -0.124 177.279 177.584 -0.301 0.000 1.062 397 A CA 0.441 52.383 52.037 -0.157 0.000 0.748 397 A CB 1.342 20.276 19.000 -0.110 0.000 1.288 397 A HN 2.250 nan 8.150 nan 0.000 0.396 398 G N -0.600 107.685 108.800 -0.858 0.000 2.911 398 G HA2 0.929 4.889 3.960 0.000 0.000 0.299 398 G HA3 0.929 4.889 3.960 0.000 0.000 0.299 398 G C -0.780 173.501 174.900 -1.032 0.000 1.283 398 G CA 0.086 44.712 45.100 -0.790 0.000 0.805 398 G HN 2.249 nan 8.290 nan 0.000 0.548 399 V N -2.186 117.491 119.914 -0.395 0.000 3.012 399 V HA 0.770 4.890 4.120 0.000 0.000 0.307 399 V C -0.537 175.740 176.094 0.305 0.000 1.166 399 V CA -0.977 61.301 62.300 -0.037 0.000 0.974 399 V CB 1.481 33.280 31.823 -0.039 0.000 1.040 399 V HN 0.793 nan 8.190 nan 0.000 0.428 400 V N 3.880 124.021 119.914 0.378 0.000 2.555 400 V HA 0.350 4.470 4.120 0.000 0.000 0.286 400 V C 1.640 177.852 176.094 0.197 0.000 1.044 400 V CA 0.824 63.317 62.300 0.322 0.000 1.026 400 V CB 0.782 32.681 31.823 0.127 0.000 0.981 400 V HN 1.229 nan 8.190 nan 0.000 0.480 401 T N 0.834 115.512 114.554 0.206 0.000 2.971 401 T HA 0.305 4.655 4.350 0.000 0.000 0.252 401 T C 0.307 175.068 174.700 0.101 0.000 1.022 401 T CA -0.071 62.105 62.100 0.127 0.000 0.980 401 T CB 0.242 69.176 68.868 0.111 0.000 1.044 401 T HN 0.523 nan 8.240 nan 0.000 0.501 402 K N 0.394 120.872 120.400 0.128 0.000 2.589 402 K HA 0.498 4.818 4.320 0.000 0.000 0.265 402 K C -1.948 174.707 176.600 0.091 0.000 0.935 402 K CA -0.847 55.489 56.287 0.081 0.000 0.850 402 K CB 1.599 34.141 32.500 0.070 0.000 1.372 402 K HN -0.000 nan 8.250 nan 0.000 0.420 403 I N 6.253 126.820 120.570 -0.005 0.000 2.385 403 I HA 0.239 4.409 4.170 0.000 0.000 0.294 403 I C 0.696 176.777 176.117 -0.061 0.000 0.988 403 I CA -0.267 60.979 61.300 -0.090 0.000 1.265 403 I CB 1.132 38.933 38.000 -0.330 0.000 1.388 403 I HN 0.738 nan 8.210 nan 0.000 0.480 404 L N 2.952 124.164 121.223 -0.019 0.000 2.670 404 L HA 0.313 4.653 4.340 0.000 0.000 0.177 404 L C 0.546 177.422 176.870 0.010 0.000 1.181 404 L CA 0.137 54.979 54.840 0.004 0.000 0.856 404 L CB -0.086 41.991 42.059 0.030 0.000 1.205 404 L HN 0.433 nan 8.230 nan 0.000 0.506 405 E N 0.000 120.227 120.200 0.044 0.000 2.725 405 E HA 0.000 4.350 4.350 0.000 0.000 0.291 405 E CA 0.000 56.448 56.400 0.080 0.000 0.976 405 E CB 0.000 29.732 29.700 0.053 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440