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 3fzn_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.664 177.584 0.133 0.000 1.274 2 A CA 0.000 52.107 52.037 0.116 0.000 0.836 2 A CB 0.000 19.088 19.000 0.147 0.000 0.831 3 S N 0.009 115.802 115.700 0.155 0.000 2.614 3 S HA 0.450 4.921 4.470 0.000 0.000 0.265 3 S C 1.187 175.937 174.600 0.249 0.000 1.303 3 S CA 0.056 58.369 58.200 0.188 0.000 1.000 3 S CB 1.017 64.338 63.200 0.201 0.000 0.935 3 S HN 1.466 nan 8.310 nan 0.000 0.551 4 V N 1.647 121.717 119.914 0.260 0.000 2.332 4 V HA -0.209 3.911 4.120 0.000 0.000 0.248 4 V C 2.592 178.987 176.094 0.503 0.000 1.055 4 V CA 2.310 64.788 62.300 0.296 0.000 1.038 4 V CB -1.424 30.497 31.823 0.164 0.000 0.651 4 V HN 1.045 nan 8.190 nan 0.000 0.450 5 H N 0.808 120.181 119.070 0.505 0.000 2.290 5 H HA -0.162 4.394 4.556 0.000 0.000 0.298 5 H C 2.309 177.868 175.328 0.385 0.000 1.087 5 H CA 2.292 58.663 56.048 0.539 0.000 1.291 5 H CB -0.485 29.506 29.762 0.382 0.000 1.369 5 H HN 0.417 nan 8.280 nan 0.000 0.492 6 G N -0.646 108.446 108.800 0.486 0.000 2.402 6 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 6 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 6 G C 1.815 176.872 174.900 0.261 0.000 1.162 6 G CA 1.245 46.540 45.100 0.324 0.000 0.777 6 G HN 0.456 nan 8.290 nan 0.000 0.539 7 T N 0.939 115.673 114.554 0.299 0.000 2.788 7 T HA -0.105 4.245 4.350 0.000 0.000 0.268 7 T C 2.620 177.522 174.700 0.337 0.000 1.044 7 T CA 1.758 64.070 62.100 0.352 0.000 1.139 7 T CB -0.420 68.651 68.868 0.338 0.000 0.867 7 T HN 0.286 nan 8.240 nan 0.000 0.454 8 T N 0.843 115.570 114.554 0.290 0.000 2.777 8 T HA -0.039 4.311 4.350 0.000 0.000 0.266 8 T C 1.631 176.348 174.700 0.028 0.000 1.040 8 T CA 1.005 63.232 62.100 0.212 0.000 1.141 8 T CB -0.472 68.594 68.868 0.329 0.000 0.868 8 T HN 0.414 nan 8.240 nan 0.000 0.444 9 Y N 1.303 121.558 120.300 -0.075 0.000 2.274 9 Y HA -0.057 4.493 4.550 0.000 0.000 0.290 9 Y C 2.595 178.427 175.900 -0.113 0.000 1.145 9 Y CA 1.026 58.967 58.100 -0.265 0.000 1.203 9 Y CB -0.202 37.923 38.460 -0.557 0.000 0.984 9 Y HN 0.175 nan 8.280 nan 0.000 0.533 10 E N 0.393 120.605 120.200 0.021 0.000 2.106 10 E HA -0.175 4.175 4.350 0.000 0.000 0.192 10 E C 2.020 178.457 176.600 -0.272 0.000 0.984 10 E CA 0.830 57.105 56.400 -0.209 0.000 0.806 10 E CB -0.485 28.938 29.700 -0.462 0.000 0.750 10 E HN 0.352 nan 8.360 nan 0.000 0.458 11 L N 0.217 121.422 121.223 -0.030 0.000 2.017 11 L HA -0.123 4.217 4.340 0.000 0.000 0.208 11 L C 2.100 179.035 176.870 0.108 0.000 1.073 11 L CA 1.689 56.640 54.840 0.185 0.000 0.745 11 L CB -0.592 41.678 42.059 0.353 0.000 0.894 11 L HN 0.261 nan 8.230 nan 0.000 0.432 12 L N -0.309 120.967 121.223 0.088 0.000 1.989 12 L HA -0.256 4.084 4.340 0.000 0.000 0.211 12 L C 2.882 179.818 176.870 0.110 0.000 1.071 12 L CA 2.123 57.023 54.840 0.100 0.000 0.749 12 L CB -0.784 41.325 42.059 0.084 0.000 0.890 12 L HN 0.415 nan 8.230 nan 0.000 0.431 13 R N -0.233 120.355 120.500 0.147 0.000 2.096 13 R HA -0.119 4.222 4.340 0.000 0.000 0.235 13 R C 2.250 178.542 176.300 -0.014 0.000 1.127 13 R CA 0.901 57.018 56.100 0.029 0.000 0.968 13 R CB -0.502 29.830 30.300 0.052 0.000 0.861 13 R HN 0.214 nan 8.270 nan 0.000 0.440 14 R N 0.688 121.177 120.500 -0.019 0.000 2.148 14 R HA -0.014 4.326 4.340 0.000 0.000 0.227 14 R C 1.563 177.897 176.300 0.058 0.000 1.103 14 R CA 0.909 57.012 56.100 0.005 0.000 0.983 14 R CB -0.121 30.177 30.300 -0.004 0.000 0.874 14 R HN 0.442 nan 8.270 nan 0.000 0.451 15 Q N -0.464 119.376 119.800 0.066 0.000 2.320 15 Q HA 0.132 4.472 4.340 0.000 0.000 0.201 15 Q C 0.653 176.682 176.000 0.048 0.000 0.910 15 Q CA 0.485 56.330 55.803 0.071 0.000 0.946 15 Q CB 0.881 29.654 28.738 0.058 0.000 1.062 15 Q HN 0.537 nan 8.270 nan 0.000 0.503 16 G N 1.279 110.091 108.800 0.021 0.000 2.132 16 G HA2 -0.253 3.707 3.960 0.000 0.000 0.234 16 G HA3 -0.253 3.707 3.960 0.000 0.000 0.234 16 G C 0.105 174.997 174.900 -0.014 0.000 0.989 16 G CA -0.170 44.930 45.100 0.000 0.000 0.676 16 G HN 0.338 nan 8.290 nan 0.000 0.522 17 I N 1.545 122.099 120.570 -0.027 0.000 2.331 17 I HA 0.400 4.570 4.170 0.000 0.000 0.292 17 I C 0.621 176.547 176.117 -0.318 0.000 0.998 17 I CA -0.166 61.113 61.300 -0.035 0.000 1.267 17 I CB 1.396 39.437 38.000 0.068 0.000 1.386 17 I HN 0.231 nan 8.210 nan 0.000 0.476 18 D N 2.575 122.752 120.400 -0.371 0.000 2.539 18 D HA 0.084 4.724 4.640 0.000 0.000 0.232 18 D C -0.184 175.833 176.300 -0.472 0.000 1.256 18 D CA 0.005 53.526 54.000 -0.799 0.000 0.810 18 D CB 0.713 41.207 40.800 -0.510 0.000 1.090 18 D HN 0.315 nan 8.370 nan 0.000 0.519 19 T N 0.150 114.603 114.554 -0.168 0.000 2.916 19 T HA 0.485 4.835 4.350 0.000 0.000 0.298 19 T C -0.893 173.789 174.700 -0.031 0.000 1.031 19 T CA -0.536 61.459 62.100 -0.174 0.000 0.993 19 T CB 2.644 71.230 68.868 -0.470 0.000 1.045 19 T HN -0.135 nan 8.240 nan 0.000 0.454 20 V N 3.847 123.760 119.914 -0.003 0.000 2.350 20 V HA 0.483 4.603 4.120 0.000 0.000 0.285 20 V C -0.945 174.957 176.094 -0.320 0.000 1.014 20 V CA -0.855 61.565 62.300 0.200 0.000 0.831 20 V CB 0.565 32.748 31.823 0.601 0.000 1.000 20 V HN 0.804 nan 8.190 nan 0.000 0.433 21 F N 3.166 123.094 119.950 -0.038 0.000 2.411 21 F HA 0.769 5.296 4.527 0.000 0.000 0.350 21 F C 0.966 176.635 175.800 -0.218 0.000 1.114 21 F CA -0.054 57.812 58.000 -0.223 0.000 1.135 21 F CB 1.635 40.548 39.000 -0.146 0.000 1.120 21 F HN 0.586 nan 8.300 nan 0.000 0.495 22 G N 2.356 110.999 108.800 -0.262 0.000 2.677 22 G HA2 0.328 4.289 3.960 0.000 0.000 0.291 22 G HA3 0.328 4.289 3.960 0.000 0.000 0.291 22 G C -2.213 172.719 174.900 0.054 0.000 1.435 22 G CA -0.889 44.161 45.100 -0.083 0.000 0.826 22 G HN 0.541 nan 8.290 nan 0.000 0.491 23 N N 1.099 119.904 118.700 0.174 0.000 2.461 23 N HA 0.467 5.207 4.740 0.000 0.000 0.284 23 N C -2.798 172.823 175.510 0.185 0.000 1.049 23 N CA -1.228 51.928 53.050 0.177 0.000 0.889 23 N CB 3.411 41.961 38.487 0.105 0.000 1.365 23 N HN 0.324 nan 8.380 nan 0.000 0.499 24 P HA 0.494 nan 4.420 nan 0.000 0.278 24 P C -0.349 176.902 177.300 -0.083 0.000 1.266 24 P CA -0.060 63.086 63.100 0.077 0.000 0.807 24 P CB 1.829 33.533 31.700 0.007 0.000 1.094 25 G N -1.178 107.541 108.800 -0.136 0.000 2.550 25 G HA2 0.346 4.306 3.960 0.000 0.000 0.293 25 G HA3 0.346 4.306 3.960 0.000 0.000 0.293 25 G C 0.678 175.488 174.900 -0.151 0.000 1.402 25 G CA 0.115 44.961 45.100 -0.424 0.000 0.784 25 G HN 0.411 nan 8.290 nan 0.000 0.482 26 S N 0.015 115.637 115.700 -0.129 0.000 2.370 26 S HA -0.172 4.298 4.470 0.000 0.000 0.226 26 S C 1.705 176.270 174.600 -0.057 0.000 1.033 26 S CA 1.850 60.013 58.200 -0.063 0.000 1.011 26 S CB -0.333 62.835 63.200 -0.053 0.000 0.852 26 S HN 0.445 nan 8.310 nan 0.000 0.457 27 N N 1.891 120.694 118.700 0.171 0.000 2.520 27 N HA 0.004 4.744 4.740 0.000 0.000 0.185 27 N C 1.028 176.701 175.510 0.271 0.000 1.068 27 N CA 1.126 54.311 53.050 0.226 0.000 0.911 27 N CB -0.308 38.368 38.487 0.315 0.000 0.961 27 N HN 0.622 nan 8.380 nan 0.000 0.446 28 E N -0.443 119.888 120.200 0.219 0.000 2.476 28 E HA 0.216 4.566 4.350 0.000 0.000 0.199 28 E C 1.724 178.411 176.600 0.145 0.000 1.021 28 E CA -0.140 56.398 56.400 0.229 0.000 0.907 28 E CB 0.081 29.924 29.700 0.238 0.000 0.974 28 E HN 0.222 nan 8.360 nan 0.000 0.489 29 L N 0.997 122.251 121.223 0.051 0.000 2.042 29 L HA -0.112 4.228 4.340 0.000 0.000 0.210 29 L C -0.676 176.214 176.870 0.033 0.000 1.076 29 L CA 1.334 56.172 54.840 -0.003 0.000 0.749 29 L CB -1.235 40.787 42.059 -0.062 0.000 0.893 29 L HN 0.140 nan 8.230 nan 0.000 0.432 30 P HA -0.184 nan 4.420 nan 0.000 0.223 30 P C 1.340 178.708 177.300 0.113 0.000 1.151 30 P CA 1.141 64.355 63.100 0.189 0.000 0.787 30 P CB 0.004 31.954 31.700 0.416 0.000 0.788 31 F N -0.011 119.738 119.950 -0.335 0.000 2.219 31 F HA 0.032 4.559 4.527 0.000 0.000 0.294 31 F C 1.729 177.458 175.800 -0.119 0.000 1.086 31 F CA 1.245 58.825 58.000 -0.699 0.000 1.330 31 F CB -0.600 37.786 39.000 -1.024 0.000 1.047 31 F HN -0.277 nan 8.300 nan 0.000 0.495 32 L N 0.690 121.829 121.223 -0.141 0.000 2.375 32 L HA 0.006 4.346 4.340 0.000 0.000 0.215 32 L C 1.049 177.876 176.870 -0.071 0.000 1.108 32 L CA 0.048 54.794 54.840 -0.157 0.000 0.830 32 L CB -0.700 41.259 42.059 -0.166 0.000 0.959 32 L HN 0.030 nan 8.230 nan 0.000 0.457 33 K N -0.196 120.187 120.400 -0.029 0.000 2.336 33 K HA -0.052 4.268 4.320 0.000 0.000 0.262 33 K C -0.238 176.342 176.600 -0.034 0.000 0.992 33 K CA -0.208 56.053 56.287 -0.044 0.000 0.927 33 K CB 0.268 32.735 32.500 -0.056 0.000 0.956 33 K HN -0.047 nan 8.250 nan 0.000 0.495 34 D N -0.101 120.251 120.400 -0.080 0.000 2.751 34 D HA -0.224 4.417 4.640 0.000 0.000 0.233 34 D C -0.712 175.506 176.300 -0.138 0.000 1.149 34 D CA 0.844 54.775 54.000 -0.116 0.000 0.682 34 D CB -1.427 39.246 40.800 -0.211 0.000 1.068 34 D HN 0.486 nan 8.370 nan 0.000 0.429 35 F N 1.134 120.912 119.950 -0.287 0.000 2.602 35 F HA 0.199 4.727 4.527 0.000 0.000 0.385 35 F C -1.396 174.175 175.800 -0.383 0.000 1.063 35 F CA -1.456 56.293 58.000 -0.420 0.000 1.233 35 F CB 0.405 39.228 39.000 -0.294 0.000 1.067 35 F HN -0.159 nan 8.300 nan 0.000 0.564 36 P HA 0.053 nan 4.420 nan 0.000 0.268 36 P C 0.135 177.252 177.300 -0.306 0.000 1.205 36 P CA 0.036 62.778 63.100 -0.596 0.000 0.771 36 P CB 0.555 31.819 31.700 -0.728 0.000 0.858 37 E N 1.280 121.399 120.200 -0.134 0.000 2.338 37 E HA -0.154 4.196 4.350 0.000 0.000 0.197 37 E C 0.770 177.365 176.600 -0.009 0.000 1.007 37 E CA 0.928 57.304 56.400 -0.040 0.000 0.849 37 E CB -0.059 29.621 29.700 -0.032 0.000 0.774 37 E HN 0.606 nan 8.360 nan 0.000 0.506 38 D N -0.203 120.196 120.400 -0.001 0.000 2.340 38 D HA -0.051 4.589 4.640 0.000 0.000 0.220 38 D C 0.124 176.393 176.300 -0.052 0.000 1.039 38 D CA 0.025 54.017 54.000 -0.013 0.000 0.866 38 D CB -0.164 40.615 40.800 -0.034 0.000 0.913 38 D HN -0.042 nan 8.370 nan 0.000 0.523 39 F N 1.462 121.277 119.950 -0.224 0.000 2.440 39 F HA 0.451 4.978 4.527 0.000 0.000 0.328 39 F C 1.012 176.835 175.800 0.038 0.000 1.070 39 F CA -1.083 56.795 58.000 -0.204 0.000 1.011 39 F CB 1.365 40.024 39.000 -0.569 0.000 1.226 39 F HN -0.211 nan 8.300 nan 0.000 0.491 40 R N 1.277 121.945 120.500 0.280 0.000 2.670 40 R HA 0.540 4.880 4.340 0.000 0.000 0.289 40 R C -2.163 174.338 176.300 0.335 0.000 0.965 40 R CA -0.853 55.418 56.100 0.285 0.000 0.899 40 R CB 1.543 31.871 30.300 0.047 0.000 1.173 40 R HN 0.667 nan 8.270 nan 0.000 0.456 41 Y N 3.556 123.911 120.300 0.092 0.000 2.331 41 Y HA 0.429 4.979 4.550 0.000 0.000 0.338 41 Y C -0.803 174.991 175.900 -0.176 0.000 0.992 41 Y CA -1.222 56.809 58.100 -0.116 0.000 1.121 41 Y CB 1.389 39.619 38.460 -0.383 0.000 1.184 41 Y HN 0.534 nan 8.280 nan 0.000 0.469 42 I N 8.374 128.561 120.570 -0.638 0.000 2.359 42 I HA 0.162 4.332 4.170 0.000 0.000 0.284 42 I C -0.775 175.083 176.117 -0.432 0.000 1.018 42 I CA -0.795 60.113 61.300 -0.652 0.000 1.173 42 I CB 0.886 38.456 38.000 -0.718 0.000 1.326 42 I HN 0.504 nan 8.210 nan 0.000 0.462 43 L N 6.744 127.985 121.223 0.031 0.000 2.331 43 L HA 0.683 5.024 4.340 0.000 0.000 0.278 43 L C 0.101 177.157 176.870 0.310 0.000 1.106 43 L CA 0.291 55.279 54.840 0.247 0.000 0.824 43 L CB 1.030 43.418 42.059 0.548 0.000 1.142 43 L HN 0.699 nan 8.230 nan 0.000 0.443 44 A N 5.019 127.957 122.820 0.197 0.000 2.413 44 A HA 0.572 4.892 4.320 0.000 0.000 0.307 44 A C 0.389 178.027 177.584 0.091 0.000 1.087 44 A CA -0.645 51.505 52.037 0.188 0.000 0.750 44 A CB 1.085 20.150 19.000 0.109 0.000 1.296 44 A HN 0.851 nan 8.150 nan 0.000 0.423 45 L N -0.116 121.110 121.223 0.005 0.000 2.554 45 L HA 0.127 4.467 4.340 0.000 0.000 0.226 45 L C 0.917 177.753 176.870 -0.057 0.000 1.137 45 L CA 0.819 55.592 54.840 -0.111 0.000 0.863 45 L CB 0.005 41.909 42.059 -0.257 0.000 0.985 45 L HN 0.710 nan 8.230 nan 0.000 0.451 46 Q N -0.675 119.115 119.800 -0.017 0.000 2.435 46 Q HA 0.128 4.468 4.340 0.000 0.000 0.282 46 Q C -0.415 175.601 176.000 0.026 0.000 1.020 46 Q CA -0.278 55.528 55.803 0.006 0.000 0.820 46 Q CB 2.278 31.018 28.738 0.004 0.000 1.436 46 Q HN -0.020 nan 8.270 nan 0.000 0.395 47 E N 0.849 121.073 120.200 0.039 0.000 2.208 47 E HA -0.038 4.312 4.350 0.000 0.000 0.193 47 E C 1.468 178.091 176.600 0.037 0.000 0.988 47 E CA 1.315 57.743 56.400 0.047 0.000 0.828 47 E CB 0.093 29.829 29.700 0.060 0.000 0.763 47 E HN 0.640 nan 8.360 nan 0.000 0.478 48 A N 0.314 123.156 122.820 0.036 0.000 1.933 48 A HA -0.220 4.100 4.320 0.000 0.000 0.218 48 A C 2.263 179.862 177.584 0.024 0.000 1.175 48 A CA 1.416 53.475 52.037 0.037 0.000 0.628 48 A CB -0.906 18.125 19.000 0.053 0.000 0.814 48 A HN 0.430 nan 8.150 nan 0.000 0.444 49 C N -1.263 118.048 119.300 0.017 0.000 2.453 49 C HA -0.035 4.425 4.460 0.000 0.000 0.277 49 C C 2.638 177.623 174.990 -0.007 0.000 1.262 49 C CA 0.709 59.728 59.018 0.002 0.000 1.718 49 C CB -1.439 26.302 27.740 0.002 0.000 2.031 49 C HN 0.443 nan 8.230 nan 0.000 0.480 50 V N 1.267 121.189 119.914 0.014 0.000 2.250 50 V HA -0.248 3.873 4.120 0.000 0.000 0.250 50 V C 2.463 178.531 176.094 -0.043 0.000 1.060 50 V CA 2.470 64.780 62.300 0.017 0.000 1.030 50 V CB -0.840 31.011 31.823 0.048 0.000 0.643 50 V HN 0.489 nan 8.190 nan 0.000 0.445 51 V N 0.568 120.467 119.914 -0.025 0.000 2.453 51 V HA -0.091 4.029 4.120 0.000 0.000 0.247 51 V C 2.609 178.661 176.094 -0.070 0.000 1.048 51 V CA 1.895 64.171 62.300 -0.040 0.000 1.049 51 V CB -1.280 30.549 31.823 0.009 0.000 0.672 51 V HN 0.618 nan 8.190 nan 0.000 0.457 52 G N 0.165 108.934 108.800 -0.051 0.000 2.418 52 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 52 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 52 G C 1.577 176.356 174.900 -0.202 0.000 1.158 52 G CA 1.067 46.117 45.100 -0.084 0.000 0.771 52 G HN 0.479 nan 8.290 nan 0.000 0.545 53 I N 1.422 121.865 120.570 -0.212 0.000 2.142 53 I HA -0.202 3.968 4.170 0.000 0.000 0.240 53 I C 3.324 179.122 176.117 -0.532 0.000 1.078 53 I CA 1.099 62.230 61.300 -0.282 0.000 1.343 53 I CB -0.293 37.607 38.000 -0.168 0.000 1.046 53 I HN 0.242 nan 8.210 nan 0.000 0.405 54 A N 0.255 122.599 122.820 -0.793 0.000 1.908 54 A HA -0.305 4.015 4.320 0.000 0.000 0.218 54 A C 2.058 179.421 177.584 -0.369 0.000 1.181 54 A CA 2.313 53.726 52.037 -1.039 0.000 0.627 54 A CB -0.688 17.881 19.000 -0.718 0.000 0.818 54 A HN 0.458 nan 8.150 nan 0.000 0.445 55 D N -0.466 119.817 120.400 -0.195 0.000 2.097 55 D HA -0.072 4.568 4.640 0.000 0.000 0.195 55 D C 2.093 178.366 176.300 -0.045 0.000 0.989 55 D CA 1.728 55.712 54.000 -0.028 0.000 0.827 55 D CB -0.674 40.189 40.800 0.105 0.000 0.966 55 D HN 0.296 nan 8.370 nan 0.000 0.456 56 G N -0.997 107.713 108.800 -0.150 0.000 2.422 56 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 56 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 56 G C 1.690 176.482 174.900 -0.181 0.000 1.146 56 G CA 0.975 45.924 45.100 -0.251 0.000 0.769 56 G HN 0.393 nan 8.290 nan 0.000 0.547 57 Y N 1.941 122.098 120.300 -0.238 0.000 2.145 57 Y HA -0.039 4.511 4.550 0.000 0.000 0.286 57 Y C 2.937 178.793 175.900 -0.073 0.000 1.145 57 Y CA 1.661 59.679 58.100 -0.136 0.000 1.148 57 Y CB -0.348 38.042 38.460 -0.116 0.000 0.981 57 Y HN 0.248 nan 8.280 nan 0.000 0.507 58 A N 0.126 122.964 122.820 0.029 0.000 1.902 58 A HA -0.233 4.087 4.320 0.000 0.000 0.217 58 A C 2.121 179.681 177.584 -0.039 0.000 1.181 58 A CA 1.895 53.933 52.037 0.001 0.000 0.623 58 A CB -0.746 18.296 19.000 0.070 0.000 0.818 58 A HN 0.668 nan 8.150 nan 0.000 0.443 59 Q N -0.759 119.020 119.800 -0.035 0.000 2.050 59 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 59 Q C 2.450 178.467 176.000 0.029 0.000 0.980 59 Q CA 1.478 57.296 55.803 0.025 0.000 0.840 59 Q CB -0.357 28.407 28.738 0.043 0.000 0.898 59 Q HN 0.683 nan 8.270 nan 0.000 0.424 60 A N 1.076 123.836 122.820 -0.100 0.000 1.929 60 A HA -0.142 4.178 4.320 0.000 0.000 0.216 60 A C 2.224 179.762 177.584 -0.077 0.000 1.176 60 A CA 1.633 53.645 52.037 -0.040 0.000 0.628 60 A CB -0.427 18.499 19.000 -0.123 0.000 0.816 60 A HN 0.436 nan 8.150 nan 0.000 0.444 61 S N -1.367 114.216 115.700 -0.195 0.000 2.489 61 S HA 0.017 4.487 4.470 0.000 0.000 0.228 61 S C 0.872 175.412 174.600 -0.100 0.000 0.995 61 S CA 0.526 58.598 58.200 -0.214 0.000 0.934 61 S CB -0.319 62.619 63.200 -0.438 0.000 0.771 61 S HN 0.524 nan 8.310 nan 0.000 0.522 62 R N 1.076 121.546 120.500 -0.050 0.000 3.336 62 R HA -0.161 4.179 4.340 0.000 0.000 0.260 62 R C -0.495 175.805 176.300 -0.000 0.000 1.032 62 R CA 1.224 57.323 56.100 -0.002 0.000 0.693 62 R CB -2.142 28.165 30.300 0.013 0.000 1.134 62 R HN 0.874 nan 8.270 nan 0.000 0.433 63 K N -1.929 118.468 120.400 -0.004 0.000 2.579 63 K HA 0.574 4.895 4.320 0.000 0.000 0.284 63 K C -3.194 173.448 176.600 0.069 0.000 0.990 63 K CA -2.155 54.149 56.287 0.029 0.000 0.880 63 K CB 2.259 34.772 32.500 0.021 0.000 1.488 63 K HN -0.301 nan 8.250 nan 0.000 0.425 64 P HA 0.115 nan 4.420 nan 0.000 0.269 64 P C -1.183 176.258 177.300 0.234 0.000 1.215 64 P CA -0.263 62.923 63.100 0.144 0.000 0.780 64 P CB 0.840 32.620 31.700 0.133 0.000 0.898 65 A N 2.456 125.429 122.820 0.255 0.000 2.350 65 A HA 0.652 4.972 4.320 0.000 0.000 0.324 65 A C -1.379 176.416 177.584 0.352 0.000 1.118 65 A CA -0.539 51.718 52.037 0.367 0.000 0.783 65 A CB 0.556 19.733 19.000 0.294 0.000 1.236 65 A HN 0.469 nan 8.150 nan 0.000 0.457 66 F N 2.233 122.364 119.950 0.302 0.000 2.436 66 F HA 0.752 5.279 4.527 0.000 0.000 0.340 66 F C -0.641 175.335 175.800 0.294 0.000 1.113 66 F CA -0.726 57.425 58.000 0.251 0.000 1.022 66 F CB 0.937 40.078 39.000 0.234 0.000 1.128 66 F HN 0.424 nan 8.300 nan 0.000 0.466 67 I N 4.731 125.122 120.570 -0.298 0.000 2.608 67 I HA 0.326 4.496 4.170 0.000 0.000 0.295 67 I C -1.199 174.770 176.117 -0.247 0.000 1.049 67 I CA -0.820 60.431 61.300 -0.082 0.000 1.063 67 I CB 2.264 40.244 38.000 -0.033 0.000 1.248 67 I HN 0.555 nan 8.210 nan 0.000 0.424 68 N N 6.010 124.731 118.700 0.036 0.000 2.461 68 N HA 0.652 5.392 4.740 0.000 0.000 0.284 68 N C -1.675 173.918 175.510 0.137 0.000 1.049 68 N CA -0.355 52.749 53.050 0.090 0.000 0.889 68 N CB 1.128 39.819 38.487 0.340 0.000 1.365 68 N HN 0.452 nan 8.380 nan 0.000 0.499 69 L N 1.121 122.406 121.223 0.104 0.000 2.286 69 L HA 0.482 4.822 4.340 0.000 0.000 0.265 69 L C -0.465 176.519 176.870 0.190 0.000 1.012 69 L CA -1.224 53.704 54.840 0.147 0.000 0.818 69 L CB 1.495 43.631 42.059 0.128 0.000 1.337 69 L HN 0.576 nan 8.230 nan 0.000 0.438 70 H N 0.630 119.755 119.070 0.092 0.000 2.741 70 H HA 0.334 4.890 4.556 0.000 0.000 0.282 70 H C 0.301 175.681 175.328 0.087 0.000 1.122 70 H CA 0.760 56.861 56.048 0.088 0.000 1.293 70 H CB 0.532 30.339 29.762 0.075 0.000 1.415 70 H HN 0.711 nan 8.280 nan 0.000 0.472 71 S N 2.849 118.449 115.700 -0.166 0.000 3.144 71 S HA -0.371 4.100 4.470 0.000 0.000 0.629 71 S C 1.748 176.324 174.600 -0.040 0.000 2.962 71 S CA 1.546 59.646 58.200 -0.166 0.000 3.700 71 S CB -1.307 61.666 63.200 -0.378 0.000 0.286 71 S HN 1.059 nan 8.310 nan 0.000 1.464 72 A N 0.274 123.065 122.820 -0.047 0.000 1.929 72 A HA 0.372 4.693 4.320 0.000 0.000 0.216 72 A C 2.579 180.162 177.584 -0.001 0.000 1.176 72 A CA 2.237 54.269 52.037 -0.009 0.000 0.628 72 A CB -1.397 17.591 19.000 -0.019 0.000 0.816 72 A HN 1.645 nan 8.150 nan 0.000 0.444 73 A N -0.234 122.585 122.820 -0.002 0.000 1.877 73 A HA 0.127 4.447 4.320 0.000 0.000 0.216 73 A C 2.419 180.038 177.584 0.058 0.000 1.186 73 A CA 1.942 54.000 52.037 0.035 0.000 0.620 73 A CB -1.433 17.607 19.000 0.067 0.000 0.822 73 A HN 0.686 nan 8.150 nan 0.000 0.443 74 G N -1.130 107.723 108.800 0.089 0.000 2.421 74 G HA2 -0.160 3.800 3.960 0.000 0.000 0.216 74 G HA3 -0.160 3.800 3.960 0.000 0.000 0.216 74 G C 1.591 176.541 174.900 0.083 0.000 1.171 74 G CA 1.699 46.865 45.100 0.110 0.000 0.775 74 G HN 0.430 nan 8.290 nan 0.000 0.543 75 T N 0.991 115.594 114.554 0.082 0.000 2.708 75 T HA -0.057 4.293 4.350 0.000 0.000 0.266 75 T C 2.493 177.194 174.700 0.001 0.000 1.037 75 T CA 1.544 63.683 62.100 0.065 0.000 1.146 75 T CB -0.637 68.281 68.868 0.083 0.000 0.865 75 T HN 0.360 nan 8.240 nan 0.000 0.435 76 G N 1.949 110.746 108.800 -0.006 0.000 2.418 76 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 76 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 76 G C 1.628 176.526 174.900 -0.003 0.000 1.158 76 G CA 0.602 45.690 45.100 -0.021 0.000 0.771 76 G HN 0.381 nan 8.290 nan 0.000 0.545 77 N N 1.111 119.822 118.700 0.019 0.000 2.348 77 N HA -0.045 4.695 4.740 0.000 0.000 0.185 77 N C 2.017 177.543 175.510 0.027 0.000 1.019 77 N CA 1.053 54.119 53.050 0.027 0.000 0.880 77 N CB -0.209 38.301 38.487 0.039 0.000 0.965 77 N HN 0.339 nan 8.380 nan 0.000 0.437 78 A N -0.402 122.432 122.820 0.023 0.000 2.275 78 A HA 0.165 4.485 4.320 0.000 0.000 0.212 78 A C 1.823 179.409 177.584 0.004 0.000 1.201 78 A CA -0.011 52.039 52.037 0.022 0.000 0.843 78 A CB -0.055 18.966 19.000 0.034 0.000 0.873 78 A HN 0.038 nan 8.150 nan 0.000 0.492 79 M N -0.534 119.057 119.600 -0.016 0.000 2.319 79 M HA -0.051 4.429 4.480 0.000 0.000 0.265 79 M C 2.142 178.423 176.300 -0.032 0.000 1.068 79 M CA 1.349 56.625 55.300 -0.041 0.000 1.118 79 M CB -1.305 31.257 32.600 -0.064 0.000 1.395 79 M HN 0.498 nan 8.290 nan 0.000 0.435 80 G N 0.003 108.794 108.800 -0.016 0.000 2.402 80 G HA2 -0.062 3.898 3.960 0.000 0.000 0.216 80 G HA3 -0.062 3.898 3.960 0.000 0.000 0.216 80 G C 1.663 176.557 174.900 -0.010 0.000 1.162 80 G CA 1.020 46.108 45.100 -0.020 0.000 0.777 80 G HN 0.514 nan 8.290 nan 0.000 0.539 81 A N 0.777 123.606 122.820 0.015 0.000 1.908 81 A HA 0.017 4.337 4.320 0.000 0.000 0.218 81 A C 2.422 180.029 177.584 0.039 0.000 1.181 81 A CA 1.367 53.428 52.037 0.041 0.000 0.627 81 A CB -0.456 18.573 19.000 0.050 0.000 0.818 81 A HN 0.362 nan 8.150 nan 0.000 0.445 82 L N 0.446 121.685 121.223 0.026 0.000 2.131 82 L HA -0.210 4.130 4.340 0.000 0.000 0.210 82 L C 3.055 179.957 176.870 0.052 0.000 1.092 82 L CA 1.541 56.404 54.840 0.040 0.000 0.759 82 L CB -0.577 41.488 42.059 0.011 0.000 0.903 82 L HN 0.668 nan 8.230 nan 0.000 0.435 83 S N -0.056 115.648 115.700 0.008 0.000 2.359 83 S HA -0.205 4.265 4.470 0.000 0.000 0.224 83 S C 1.828 176.446 174.600 0.031 0.000 1.035 83 S CA 1.434 59.637 58.200 0.005 0.000 1.018 83 S CB -0.485 62.688 63.200 -0.045 0.000 0.876 83 S HN 0.423 nan 8.310 nan 0.000 0.448 84 N N 2.673 121.357 118.700 -0.027 0.000 2.120 84 N HA 0.016 4.756 4.740 0.000 0.000 0.188 84 N C 2.056 177.532 175.510 -0.057 0.000 1.024 84 N CA 1.583 54.571 53.050 -0.104 0.000 0.852 84 N CB -1.025 37.335 38.487 -0.212 0.000 1.003 84 N HN 0.649 nan 8.380 nan 0.000 0.424 85 A N 1.181 124.016 122.820 0.025 0.000 1.933 85 A HA -0.160 4.160 4.320 0.000 0.000 0.218 85 A C 2.067 179.706 177.584 0.091 0.000 1.175 85 A CA 0.981 53.052 52.037 0.058 0.000 0.628 85 A CB -1.008 18.049 19.000 0.094 0.000 0.814 85 A HN 0.593 nan 8.150 nan 0.000 0.444 86 W N 1.126 122.399 121.300 -0.046 0.000 2.355 86 W HA -0.205 4.455 4.660 0.000 0.000 0.309 86 W C 1.432 177.879 176.519 -0.120 0.000 1.206 86 W CA 2.025 59.344 57.345 -0.043 0.000 1.284 86 W CB -0.445 28.992 29.460 -0.038 0.000 1.145 86 W HN 0.400 nan 8.180 nan 0.000 0.502 87 N N 0.424 119.114 118.700 -0.016 0.000 2.309 87 N HA -0.153 4.587 4.740 0.000 0.000 0.182 87 N C 1.810 177.119 175.510 -0.335 0.000 1.018 87 N CA 2.097 55.030 53.050 -0.196 0.000 0.876 87 N CB -0.566 37.884 38.487 -0.062 0.000 0.972 87 N HN 0.142 nan 8.380 nan 0.000 0.434 88 S N -1.348 114.217 115.700 -0.225 0.000 2.593 88 S HA 0.052 4.522 4.470 0.000 0.000 0.217 88 S C -0.085 174.464 174.600 -0.085 0.000 0.966 88 S CA -0.194 57.918 58.200 -0.147 0.000 0.914 88 S CB -0.581 62.583 63.200 -0.061 0.000 0.776 88 S HN 0.428 nan 8.310 nan 0.000 0.523 89 H N 0.770 119.762 119.070 -0.130 0.000 2.770 89 H HA -0.126 4.430 4.556 0.000 0.000 0.309 89 H C -0.688 174.606 175.328 -0.056 0.000 1.206 89 H CA 0.368 56.328 56.048 -0.147 0.000 1.147 89 H CB -2.135 27.547 29.762 -0.133 0.000 1.422 89 H HN 0.357 nan 8.280 nan 0.000 0.420 90 S N 2.337 118.077 115.700 0.066 0.000 2.499 90 S HA 0.156 4.626 4.470 0.000 0.000 0.275 90 S C -1.847 172.801 174.600 0.080 0.000 1.257 90 S CA -1.075 57.170 58.200 0.076 0.000 1.050 90 S CB 1.109 64.353 63.200 0.073 0.000 0.937 90 S HN 0.197 nan 8.310 nan 0.000 0.490 91 P HA 0.196 nan 4.420 nan 0.000 0.252 91 P C -1.042 176.318 177.300 0.100 0.000 1.727 91 P CA -0.013 63.137 63.100 0.082 0.000 1.134 91 P CB -0.230 31.513 31.700 0.071 0.000 1.876 92 L N 4.192 125.477 121.223 0.104 0.000 2.296 92 L HA 0.493 4.833 4.340 0.000 0.000 0.286 92 L C 0.648 177.578 176.870 0.100 0.000 1.023 92 L CA -1.002 53.898 54.840 0.100 0.000 0.812 92 L CB 1.730 43.838 42.059 0.082 0.000 1.223 92 L HN 0.136 nan 8.230 nan 0.000 0.421 93 I N 4.096 124.712 120.570 0.076 0.000 2.310 93 I HA 0.203 4.373 4.170 0.000 0.000 0.287 93 I C -0.292 175.734 176.117 -0.152 0.000 1.073 93 I CA -0.421 60.895 61.300 0.026 0.000 1.216 93 I CB 1.333 39.395 38.000 0.104 0.000 1.415 93 I HN 0.226 nan 8.210 nan 0.000 0.480 94 V N 5.261 125.141 119.914 -0.057 0.000 2.364 94 V HA 0.322 4.442 4.120 0.000 0.000 0.272 94 V C 0.591 176.568 176.094 -0.194 0.000 1.036 94 V CA -0.436 61.818 62.300 -0.077 0.000 0.880 94 V CB 1.138 33.044 31.823 0.138 0.000 0.991 94 V HN 0.792 nan 8.190 nan 0.000 0.460 95 T N 2.288 116.638 114.554 -0.340 0.000 2.895 95 T HA 0.862 5.212 4.350 0.000 0.000 0.283 95 T C -0.362 174.201 174.700 -0.228 0.000 1.014 95 T CA -0.538 61.359 62.100 -0.339 0.000 1.037 95 T CB 1.983 70.644 68.868 -0.345 0.000 1.006 95 T HN 0.989 nan 8.240 nan 0.000 0.468 96 A N 1.780 124.446 122.820 -0.257 0.000 2.381 96 A HA 0.822 5.142 4.320 0.000 0.000 0.299 96 A C 0.341 177.907 177.584 -0.029 0.000 1.049 96 A CA -0.683 51.299 52.037 -0.092 0.000 0.715 96 A CB 1.176 20.162 19.000 -0.024 0.000 1.222 96 A HN 1.335 nan 8.150 nan 0.000 0.428 97 G N 0.622 109.470 108.800 0.080 0.000 2.406 97 G HA2 0.468 4.428 3.960 0.000 0.000 0.251 97 G HA3 0.468 4.428 3.960 0.000 0.000 0.251 97 G C -0.163 174.796 174.900 0.097 0.000 1.271 97 G CA 0.035 45.230 45.100 0.159 0.000 0.859 97 G HN 0.864 nan 8.290 nan 0.000 0.540 98 Q N 0.422 120.292 119.800 0.116 0.000 2.297 98 Q HA 0.336 4.676 4.340 0.000 0.000 0.268 98 Q C 0.246 176.327 176.000 0.136 0.000 1.045 98 Q CA -0.704 55.137 55.803 0.063 0.000 0.861 98 Q CB 1.120 29.856 28.738 -0.004 0.000 1.344 98 Q HN 0.499 nan 8.270 nan 0.000 0.452 99 Q N 0.447 120.298 119.800 0.084 0.000 2.540 99 Q HA 0.041 4.381 4.340 0.000 0.000 0.256 99 Q C -0.450 175.448 176.000 -0.170 0.000 1.084 99 Q CA 0.406 56.256 55.803 0.078 0.000 0.956 99 Q CB 0.503 29.268 28.738 0.045 0.000 1.303 99 Q HN 0.834 nan 8.270 nan 0.000 0.509 100 T N 0.882 115.148 114.554 -0.481 0.000 2.946 100 T HA -0.007 4.343 4.350 0.000 0.000 0.311 100 T C 1.374 175.913 174.700 -0.269 0.000 1.063 100 T CA 0.111 61.835 62.100 -0.627 0.000 1.139 100 T CB 0.356 68.805 68.868 -0.698 0.000 0.994 100 T HN 0.484 nan 8.240 nan 0.000 0.547 101 R N 3.209 123.578 120.500 -0.218 0.000 2.117 101 R HA -0.147 4.193 4.340 0.000 0.000 0.243 101 R C 2.586 178.827 176.300 -0.099 0.000 1.143 101 R CA 1.518 57.537 56.100 -0.134 0.000 0.968 101 R CB -0.594 29.638 30.300 -0.113 0.000 0.863 101 R HN 0.749 nan 8.270 nan 0.000 0.444 102 A N 0.466 123.227 122.820 -0.097 0.000 2.125 102 A HA -0.103 4.217 4.320 0.000 0.000 0.219 102 A C 1.829 179.386 177.584 -0.045 0.000 1.156 102 A CA 1.261 53.262 52.037 -0.060 0.000 0.671 102 A CB -0.197 18.773 19.000 -0.049 0.000 0.794 102 A HN 0.239 nan 8.150 nan 0.000 0.459 103 M N -1.562 118.007 119.600 -0.051 0.000 2.306 103 M HA 0.289 4.769 4.480 0.000 0.000 0.292 103 M C 1.271 177.557 176.300 -0.024 0.000 1.018 103 M CA 0.082 55.367 55.300 -0.025 0.000 1.007 103 M CB 0.134 32.731 32.600 -0.004 0.000 1.510 103 M HN 0.280 nan 8.290 nan 0.000 0.537 104 I N 0.729 121.274 120.570 -0.041 0.000 2.208 104 I HA -0.200 3.970 4.170 0.000 0.000 0.245 104 I C 2.483 178.583 176.117 -0.029 0.000 1.097 104 I CA 1.714 62.992 61.300 -0.037 0.000 1.363 104 I CB -0.622 37.346 38.000 -0.054 0.000 1.051 104 I HN 0.389 nan 8.210 nan 0.000 0.413 105 G N -0.168 108.615 108.800 -0.029 0.000 2.422 105 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 105 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 105 G C 1.667 176.557 174.900 -0.016 0.000 1.140 105 G CA 0.640 45.726 45.100 -0.024 0.000 0.775 105 G HN 0.305 nan 8.290 nan 0.000 0.545 106 V N 0.272 120.179 119.914 -0.012 0.000 3.380 106 V HA 0.120 4.240 4.120 0.000 0.000 0.268 106 V C 0.785 176.877 176.094 -0.003 0.000 1.168 106 V CA 1.042 63.339 62.300 -0.006 0.000 1.156 106 V CB -0.760 31.062 31.823 -0.002 0.000 0.785 106 V HN 0.637 nan 8.190 nan 0.000 0.487 107 E N -0.056 120.141 120.200 -0.006 0.000 2.271 107 E HA -0.217 4.134 4.350 0.000 0.000 0.223 107 E C 0.478 177.082 176.600 0.006 0.000 1.223 107 E CA 0.145 56.544 56.400 -0.003 0.000 0.704 107 E CB -1.559 28.137 29.700 -0.006 0.000 1.194 107 E HN 0.786 nan 8.360 nan 0.000 0.375 108 A N 0.652 123.480 122.820 0.013 0.000 2.536 108 A HA 0.197 4.517 4.320 0.000 0.000 0.234 108 A C 0.548 178.150 177.584 0.030 0.000 1.076 108 A CA -0.075 51.977 52.037 0.026 0.000 0.769 108 A CB 0.327 19.350 19.000 0.039 0.000 1.020 108 A HN 0.373 nan 8.150 nan 0.000 0.508 109 L N 0.876 122.122 121.223 0.037 0.000 2.573 109 L HA 0.037 4.377 4.340 0.000 0.000 0.290 109 L C 0.905 177.807 176.870 0.053 0.000 1.247 109 L CA 1.499 56.364 54.840 0.042 0.000 0.876 109 L CB -0.311 41.777 42.059 0.048 0.000 1.123 109 L HN 0.731 nan 8.230 nan 0.000 0.505 110 L N 1.596 122.840 121.223 0.036 0.000 4.937 110 L HA -0.239 4.101 4.340 0.000 0.000 0.422 110 L C 0.320 177.186 176.870 -0.006 0.000 1.059 110 L CA 0.424 55.269 54.840 0.007 0.000 1.111 110 L CB -2.656 39.436 42.059 0.055 0.000 2.033 110 L HN 0.751 nan 8.230 nan 0.000 0.708 111 T N 0.826 115.384 114.554 0.007 0.000 2.834 111 T HA 0.130 4.480 4.350 0.000 0.000 0.298 111 T C 0.700 175.389 174.700 -0.017 0.000 0.966 111 T CA -0.015 62.083 62.100 -0.003 0.000 1.141 111 T CB 0.901 69.767 68.868 -0.003 0.000 0.905 111 T HN 0.160 nan 8.240 nan 0.000 0.535 112 N N 3.999 122.687 118.700 -0.020 0.000 2.555 112 N HA 0.120 4.860 4.740 0.000 0.000 0.244 112 N C -0.488 175.011 175.510 -0.017 0.000 1.114 112 N CA -0.288 52.753 53.050 -0.015 0.000 0.963 112 N CB 0.161 38.651 38.487 0.004 0.000 1.276 112 N HN 0.287 nan 8.380 nan 0.000 0.510 113 V N 3.232 123.134 119.914 -0.021 0.000 2.585 113 V HA 0.006 4.126 4.120 0.000 0.000 0.296 113 V C 0.840 176.915 176.094 -0.031 0.000 1.035 113 V CA -0.157 62.127 62.300 -0.026 0.000 1.084 113 V CB 0.541 32.350 31.823 -0.024 0.000 0.953 113 V HN 0.736 nan 8.190 nan 0.000 0.483 114 D N 3.305 123.682 120.400 -0.038 0.000 2.689 114 D HA -0.243 4.397 4.640 0.000 0.000 0.237 114 D C 1.284 177.560 176.300 -0.041 0.000 1.148 114 D CA 0.942 54.915 54.000 -0.045 0.000 0.656 114 D CB -0.627 40.147 40.800 -0.044 0.000 1.050 114 D HN 0.822 nan 8.370 nan 0.000 0.426 115 A N 0.284 123.088 122.820 -0.026 0.000 1.948 115 A HA 0.033 4.353 4.320 0.000 0.000 0.220 115 A C 2.488 180.107 177.584 0.059 0.000 1.177 115 A CA 2.438 54.492 52.037 0.028 0.000 0.636 115 A CB -0.622 18.404 19.000 0.044 0.000 0.815 115 A HN 0.762 nan 8.150 nan 0.000 0.449 116 A N -0.283 122.535 122.820 -0.004 0.000 2.015 116 A HA -0.123 4.197 4.320 0.000 0.000 0.219 116 A C 1.762 179.306 177.584 -0.067 0.000 1.163 116 A CA 1.619 53.648 52.037 -0.014 0.000 0.646 116 A CB -0.476 18.464 19.000 -0.100 0.000 0.806 116 A HN 0.529 nan 8.150 nan 0.000 0.448 117 N N -0.466 118.186 118.700 -0.079 0.000 2.446 117 N HA -0.031 4.709 4.740 0.000 0.000 0.179 117 N C 1.398 176.825 175.510 -0.139 0.000 1.054 117 N CA 0.586 53.577 53.050 -0.099 0.000 0.905 117 N CB -0.346 38.094 38.487 -0.078 0.000 0.973 117 N HN 0.409 nan 8.380 nan 0.000 0.448 118 L N 2.299 123.425 121.223 -0.161 0.000 1.990 118 L HA -0.064 4.276 4.340 0.000 0.000 0.213 118 L C -0.993 175.715 176.870 -0.269 0.000 1.072 118 L CA 2.084 56.803 54.840 -0.200 0.000 0.755 118 L CB -1.314 40.629 42.059 -0.194 0.000 0.889 118 L HN 0.136 nan 8.230 nan 0.000 0.432 119 P HA -0.039 nan 4.420 nan 0.000 0.245 119 P C -0.117 177.029 177.300 -0.256 0.000 1.206 119 P CA 0.245 63.121 63.100 -0.373 0.000 0.781 119 P CB -0.037 31.315 31.700 -0.580 0.000 0.994 120 R N 2.064 122.431 120.500 -0.221 0.000 2.590 120 R HA 0.147 4.487 4.340 0.000 0.000 0.274 120 R C -1.383 174.798 176.300 -0.198 0.000 1.061 120 R CA -0.910 55.074 56.100 -0.194 0.000 1.081 120 R CB -0.253 29.958 30.300 -0.148 0.000 0.984 120 R HN 0.115 nan 8.270 nan 0.000 0.448 121 P HA 0.106 nan 4.420 nan 0.000 0.249 121 P C 0.122 177.089 177.300 -0.555 0.000 1.583 121 P CA 0.294 63.195 63.100 -0.332 0.000 0.988 121 P CB 0.292 31.804 31.700 -0.312 0.000 1.530 122 L N -0.096 120.874 121.223 -0.423 0.000 2.629 122 L HA 0.172 4.512 4.340 0.000 0.000 0.230 122 L C 0.781 177.547 176.870 -0.173 0.000 1.151 122 L CA -0.213 54.367 54.840 -0.433 0.000 0.924 122 L CB 0.183 42.111 42.059 -0.218 0.000 1.137 122 L HN -0.093 nan 8.230 nan 0.000 0.457 123 V N -5.280 114.555 119.914 -0.132 0.000 2.962 123 V HA 0.371 4.491 4.120 0.000 0.000 0.313 123 V C 0.622 176.910 176.094 0.323 0.000 1.099 123 V CA -1.042 61.368 62.300 0.184 0.000 0.971 123 V CB 2.162 34.055 31.823 0.118 0.000 1.028 123 V HN 0.024 nan 8.190 nan 0.000 0.430 124 K N 0.923 121.620 120.400 0.494 0.000 2.155 124 K HA 0.095 4.415 4.320 0.000 0.000 0.203 124 K C -0.226 176.620 176.600 0.411 0.000 1.052 124 K CA 1.676 58.240 56.287 0.462 0.000 0.948 124 K CB 0.164 32.869 32.500 0.341 0.000 0.728 124 K HN 0.751 nan 8.250 nan 0.000 0.448 125 W N -0.361 121.031 121.300 0.153 0.000 3.479 125 W HA 0.318 4.978 4.660 0.000 0.000 0.304 125 W C -1.735 174.874 176.519 0.151 0.000 1.243 125 W CA -0.649 56.769 57.345 0.120 0.000 1.202 125 W CB 1.843 31.353 29.460 0.083 0.000 1.346 125 W HN -0.337 nan 8.180 nan 0.000 0.539 126 S N 4.740 120.166 115.700 -0.457 0.000 2.572 126 S HA 0.723 5.193 4.470 0.000 0.000 0.274 126 S C -2.290 171.982 174.600 -0.547 0.000 1.150 126 S CA -0.338 57.666 58.200 -0.326 0.000 0.944 126 S CB 0.741 63.890 63.200 -0.084 0.000 1.071 126 S HN 0.528 nan 8.310 nan 0.000 0.479 127 Y N 2.073 121.984 120.300 -0.648 0.000 2.558 127 Y HA 0.538 5.088 4.550 0.000 0.000 0.333 127 Y C -1.304 174.411 175.900 -0.307 0.000 1.125 127 Y CA -0.607 57.134 58.100 -0.598 0.000 1.039 127 Y CB 1.695 39.499 38.460 -1.093 0.000 1.331 127 Y HN 0.715 nan 8.280 nan 0.000 0.456 128 E N 6.159 125.942 120.200 -0.695 0.000 2.218 128 E HA 0.490 4.840 4.350 0.000 0.000 0.263 128 E C -2.834 173.374 176.600 -0.653 0.000 0.879 128 E CA -2.464 53.649 56.400 -0.479 0.000 0.762 128 E CB 1.795 31.312 29.700 -0.305 0.000 1.166 128 E HN 0.319 nan 8.360 nan 0.000 0.415 129 P HA 0.095 nan 4.420 nan 0.000 0.271 129 P C -0.341 176.877 177.300 -0.138 0.000 1.218 129 P CA 0.003 63.026 63.100 -0.128 0.000 0.780 129 P CB 1.143 32.871 31.700 0.047 0.000 0.901 130 A N 1.461 124.244 122.820 -0.062 0.000 2.238 130 A HA 0.246 4.566 4.320 0.000 0.000 0.208 130 A C 0.595 178.156 177.584 -0.038 0.000 1.177 130 A CA 0.940 52.944 52.037 -0.056 0.000 0.804 130 A CB -0.585 18.404 19.000 -0.018 0.000 0.823 130 A HN 0.610 nan 8.150 nan 0.000 0.482 131 S N -3.952 111.732 115.700 -0.028 0.000 2.567 131 S HA 0.605 5.075 4.470 0.000 0.000 0.270 131 S C 0.629 175.200 174.600 -0.047 0.000 1.152 131 S CA -0.038 58.142 58.200 -0.034 0.000 0.835 131 S CB 1.031 64.224 63.200 -0.011 0.000 1.115 131 S HN 0.952 nan 8.310 nan 0.000 0.459 132 A N 1.537 124.319 122.820 -0.064 0.000 1.908 132 A HA 0.237 4.558 4.320 0.000 0.000 0.218 132 A C 2.263 179.819 177.584 -0.048 0.000 1.181 132 A CA 2.070 54.053 52.037 -0.090 0.000 0.627 132 A CB -1.538 17.416 19.000 -0.076 0.000 0.818 132 A HN 1.732 nan 8.150 nan 0.000 0.445 133 A N -0.712 122.103 122.820 -0.008 0.000 2.067 133 A HA -0.112 4.208 4.320 0.000 0.000 0.219 133 A C 1.907 179.516 177.584 0.042 0.000 1.158 133 A CA 1.526 53.576 52.037 0.021 0.000 0.661 133 A CB -0.431 18.583 19.000 0.022 0.000 0.801 133 A HN 0.679 nan 8.150 nan 0.000 0.452 134 E N -0.033 120.195 120.200 0.048 0.000 2.358 134 E HA -0.053 4.297 4.350 0.000 0.000 0.195 134 E C 1.570 178.249 176.600 0.132 0.000 1.010 134 E CA 0.706 57.173 56.400 0.111 0.000 0.856 134 E CB -0.088 29.698 29.700 0.143 0.000 0.795 134 E HN 0.360 nan 8.360 nan 0.000 0.504 135 V N 1.708 121.648 119.914 0.044 0.000 2.282 135 V HA -0.226 3.894 4.120 0.000 0.000 0.249 135 V C -0.727 175.425 176.094 0.096 0.000 1.057 135 V CA 2.255 64.560 62.300 0.008 0.000 1.032 135 V CB -1.394 30.310 31.823 -0.200 0.000 0.645 135 V HN 0.320 nan 8.190 nan 0.000 0.447 136 P HA -0.184 nan 4.420 nan 0.000 0.215 136 P C 1.718 179.121 177.300 0.172 0.000 1.153 136 P CA 1.596 64.799 63.100 0.171 0.000 0.853 136 P CB -0.241 31.567 31.700 0.180 0.000 0.788 137 H N -0.021 119.094 119.070 0.075 0.000 2.353 137 H HA -0.099 4.457 4.556 0.000 0.000 0.300 137 H C 1.718 177.085 175.328 0.064 0.000 1.090 137 H CA 1.717 57.797 56.048 0.053 0.000 1.327 137 H CB -0.231 29.550 29.762 0.031 0.000 1.383 137 H HN -0.019 nan 8.280 nan 0.000 0.508 138 A N 0.944 123.796 122.820 0.052 0.000 1.933 138 A HA -0.177 4.143 4.320 0.000 0.000 0.218 138 A C 2.458 180.111 177.584 0.115 0.000 1.175 138 A CA 1.645 53.740 52.037 0.097 0.000 0.628 138 A CB -0.648 18.546 19.000 0.324 0.000 0.814 138 A HN 0.478 nan 8.150 nan 0.000 0.444 139 M N -0.231 119.446 119.600 0.128 0.000 2.159 139 M HA -0.078 4.402 4.480 0.000 0.000 0.263 139 M C 2.279 178.621 176.300 0.072 0.000 1.063 139 M CA 1.966 57.355 55.300 0.149 0.000 1.110 139 M CB -0.501 32.214 32.600 0.190 0.000 1.374 139 M HN 0.395 nan 8.290 nan 0.000 0.411 140 S N -0.223 115.491 115.700 0.023 0.000 2.356 140 S HA -0.155 4.315 4.470 0.000 0.000 0.223 140 S C 2.044 176.600 174.600 -0.073 0.000 1.032 140 S CA 1.502 59.705 58.200 0.003 0.000 1.005 140 S CB -0.172 63.060 63.200 0.054 0.000 0.867 140 S HN 0.597 nan 8.310 nan 0.000 0.449 141 R N 0.728 121.070 120.500 -0.263 0.000 2.091 141 R HA -0.054 4.286 4.340 0.000 0.000 0.238 141 R C 2.667 178.706 176.300 -0.435 0.000 1.136 141 R CA 1.395 57.203 56.100 -0.487 0.000 0.959 141 R CB -0.675 29.078 30.300 -0.913 0.000 0.856 141 R HN 0.506 nan 8.270 nan 0.000 0.437 142 A N 1.351 124.060 122.820 -0.186 0.000 1.865 142 A HA -0.176 4.144 4.320 0.000 0.000 0.217 142 A C 2.191 179.780 177.584 0.008 0.000 1.191 142 A CA 1.417 53.497 52.037 0.072 0.000 0.623 142 A CB -0.589 18.571 19.000 0.267 0.000 0.826 142 A HN 0.198 nan 8.150 nan 0.000 0.444 143 I N -1.040 119.499 120.570 -0.051 0.000 2.163 143 I HA -0.293 3.877 4.170 0.000 0.000 0.243 143 I C 2.496 178.478 176.117 -0.225 0.000 1.085 143 I CA 1.512 62.732 61.300 -0.134 0.000 1.347 143 I CB -0.517 37.342 38.000 -0.235 0.000 1.044 143 I HN 0.417 nan 8.210 nan 0.000 0.408 144 H N -0.279 118.761 119.070 -0.050 0.000 2.395 144 H HA -0.012 4.544 4.556 0.000 0.000 0.299 144 H C 2.352 177.622 175.328 -0.096 0.000 1.070 144 H CA 1.103 57.103 56.048 -0.081 0.000 1.356 144 H CB -0.142 29.548 29.762 -0.120 0.000 1.401 144 H HN 0.242 nan 8.280 nan 0.000 0.524 145 M N 0.486 120.057 119.600 -0.049 0.000 2.159 145 M HA -0.067 4.413 4.480 0.000 0.000 0.263 145 M C 2.521 178.837 176.300 0.026 0.000 1.063 145 M CA 1.023 56.290 55.300 -0.055 0.000 1.110 145 M CB -0.988 31.534 32.600 -0.131 0.000 1.374 145 M HN 0.211 nan 8.290 nan 0.000 0.411 146 A N -0.785 122.064 122.820 0.048 0.000 1.969 146 A HA -0.068 4.252 4.320 0.000 0.000 0.218 146 A C 2.406 180.016 177.584 0.043 0.000 1.169 146 A CA 1.904 53.984 52.037 0.071 0.000 0.635 146 A CB -0.520 18.535 19.000 0.090 0.000 0.810 146 A HN 0.496 nan 8.150 nan 0.000 0.445 147 S N -0.734 114.984 115.700 0.030 0.000 2.458 147 S HA 0.224 4.694 4.470 0.000 0.000 0.223 147 S C 0.826 175.434 174.600 0.014 0.000 1.019 147 S CA -0.005 58.213 58.200 0.030 0.000 0.937 147 S CB -0.178 63.047 63.200 0.042 0.000 0.788 147 S HN 0.528 nan 8.310 nan 0.000 0.511 148 M N 1.969 121.571 119.600 0.003 0.000 2.238 148 M HA 0.273 4.753 4.480 0.000 0.000 0.347 148 M C 0.345 176.612 176.300 -0.055 0.000 1.173 148 M CA -0.390 54.894 55.300 -0.028 0.000 1.147 148 M CB 0.381 32.958 32.600 -0.038 0.000 1.547 148 M HN 0.156 nan 8.290 nan 0.000 0.455 149 A N 5.188 127.964 122.820 -0.074 0.000 2.511 149 A HA 0.343 4.663 4.320 0.000 0.000 0.242 149 A C -2.167 175.341 177.584 -0.127 0.000 1.069 149 A CA -1.060 50.906 52.037 -0.118 0.000 0.763 149 A CB -0.809 18.126 19.000 -0.108 0.000 1.001 149 A HN 0.526 nan 8.150 nan 0.000 0.498 150 P HA 0.138 nan 4.420 nan 0.000 0.282 150 P C -0.542 176.605 177.300 -0.254 0.000 1.262 150 P CA -0.092 62.795 63.100 -0.354 0.000 0.773 150 P CB 0.602 32.011 31.700 -0.485 0.000 0.879 151 Q N 1.202 120.878 119.800 -0.206 0.000 2.474 151 Q HA 0.498 4.838 4.340 0.000 0.000 0.256 151 Q C 0.711 176.698 176.000 -0.021 0.000 1.048 151 Q CA 0.352 56.115 55.803 -0.066 0.000 0.922 151 Q CB 0.432 29.160 28.738 -0.016 0.000 1.288 151 Q HN 0.743 nan 8.270 nan 0.000 0.484 152 G N 0.931 109.746 108.800 0.026 0.000 2.356 152 G HA2 0.312 4.272 3.960 0.000 0.000 0.294 152 G HA3 0.312 4.272 3.960 0.000 0.000 0.294 152 G C -3.098 171.882 174.900 0.133 0.000 1.423 152 G CA -0.927 44.206 45.100 0.055 0.000 0.806 152 G HN 0.371 nan 8.290 nan 0.000 0.527 153 P HA 0.466 nan 4.420 nan 0.000 0.275 153 P C 0.004 177.454 177.300 0.249 0.000 1.228 153 P CA -0.177 63.045 63.100 0.204 0.000 0.786 153 P CB 1.617 33.439 31.700 0.203 0.000 0.927 154 V N 0.436 120.490 119.914 0.232 0.000 3.102 154 V HA 0.685 4.805 4.120 0.000 0.000 0.312 154 V C -1.681 174.585 176.094 0.286 0.000 1.135 154 V CA -1.078 61.399 62.300 0.295 0.000 1.022 154 V CB 2.247 34.282 31.823 0.352 0.000 1.056 154 V HN 0.500 nan 8.190 nan 0.000 0.436 155 Y N 2.172 122.530 120.300 0.096 0.000 2.421 155 Y HA 0.825 5.375 4.550 0.000 0.000 0.339 155 Y C -1.429 174.451 175.900 -0.032 0.000 0.996 155 Y CA -1.095 57.007 58.100 0.005 0.000 1.046 155 Y CB 2.076 40.513 38.460 -0.038 0.000 1.226 155 Y HN 0.923 nan 8.280 nan 0.000 0.445 156 L N 5.305 126.265 121.223 -0.439 0.000 2.406 156 L HA 0.609 4.949 4.340 0.000 0.000 0.272 156 L C -1.095 175.445 176.870 -0.549 0.000 0.980 156 L CA -0.212 54.423 54.840 -0.341 0.000 0.831 156 L CB 1.939 43.961 42.059 -0.061 0.000 1.253 156 L HN 0.577 nan 8.230 nan 0.000 0.406 157 S N 4.290 119.726 115.700 -0.440 0.000 2.442 157 S HA 0.796 5.266 4.470 0.000 0.000 0.297 157 S C -1.000 173.495 174.600 -0.174 0.000 1.131 157 S CA -0.450 57.558 58.200 -0.319 0.000 1.092 157 S CB 0.785 63.859 63.200 -0.210 0.000 0.998 157 S HN 0.450 nan 8.310 nan 0.000 0.478 158 V N 7.853 127.708 119.914 -0.099 0.000 2.443 158 V HA 0.418 4.538 4.120 0.000 0.000 0.293 158 V C -2.413 173.657 176.094 -0.040 0.000 1.021 158 V CA -2.046 60.191 62.300 -0.105 0.000 0.848 158 V CB 1.538 33.291 31.823 -0.117 0.000 0.998 158 V HN 0.721 nan 8.190 nan 0.000 0.424 159 P HA -0.012 nan 4.420 nan 0.000 0.264 159 P C 0.286 177.581 177.300 -0.009 0.000 1.183 159 P CA 0.109 63.164 63.100 -0.076 0.000 0.763 159 P CB 0.208 31.820 31.700 -0.147 0.000 0.807 160 Y N 2.918 123.283 120.300 0.108 0.000 2.421 160 Y HA -0.145 4.405 4.550 0.000 0.000 0.292 160 Y C 1.391 177.430 175.900 0.232 0.000 1.136 160 Y CA 1.278 59.532 58.100 0.257 0.000 1.255 160 Y CB -1.211 37.406 38.460 0.260 0.000 0.991 160 Y HN 0.288 nan 8.280 nan 0.000 0.552 161 D N -0.579 119.782 120.400 -0.064 0.000 2.355 161 D HA -0.130 4.510 4.640 0.000 0.000 0.218 161 D C 0.697 177.007 176.300 0.016 0.000 1.004 161 D CA 0.710 54.709 54.000 -0.002 0.000 0.880 161 D CB -0.338 40.363 40.800 -0.165 0.000 0.911 161 D HN 0.357 nan 8.370 nan 0.000 0.528 162 D N 0.526 120.868 120.400 -0.096 0.000 2.183 162 D HA -0.094 4.546 4.640 0.000 0.000 0.203 162 D C 1.588 177.821 176.300 -0.113 0.000 0.969 162 D CA 0.675 54.552 54.000 -0.205 0.000 0.842 162 D CB -0.543 39.995 40.800 -0.436 0.000 0.957 162 D HN 0.425 nan 8.370 nan 0.000 0.484 163 W N 1.265 122.679 121.300 0.189 0.000 2.402 163 W HA -0.067 4.593 4.660 0.000 0.000 0.286 163 W C 1.635 178.281 176.519 0.212 0.000 1.221 163 W CA 0.348 57.844 57.345 0.253 0.000 1.257 163 W CB 0.003 29.677 29.460 0.358 0.000 1.120 163 W HN -0.120 nan 8.180 nan 0.000 0.551 164 D N -0.150 120.456 120.400 0.344 0.000 2.355 164 D HA -0.030 4.610 4.640 0.000 0.000 0.218 164 D C 0.952 177.340 176.300 0.147 0.000 1.004 164 D CA 0.721 54.850 54.000 0.216 0.000 0.880 164 D CB -0.123 40.778 40.800 0.169 0.000 0.911 164 D HN -0.030 nan 8.370 nan 0.000 0.528 165 K N 1.360 121.834 120.400 0.124 0.000 2.149 165 K HA 0.107 4.427 4.320 0.000 0.000 0.245 165 K C 0.160 176.815 176.600 0.091 0.000 1.024 165 K CA -0.272 56.063 56.287 0.079 0.000 0.899 165 K CB 0.543 33.066 32.500 0.038 0.000 1.038 165 K HN -0.059 nan 8.250 nan 0.000 0.496 166 D N 0.549 120.991 120.400 0.070 0.000 2.351 166 D HA 0.196 4.836 4.640 0.000 0.000 0.251 166 D C -0.116 176.230 176.300 0.077 0.000 1.137 166 D CA 0.007 54.052 54.000 0.075 0.000 0.879 166 D CB 1.002 41.836 40.800 0.057 0.000 1.181 166 D HN 0.437 nan 8.370 nan 0.000 0.448 167 A N 2.034 124.913 122.820 0.098 0.000 2.340 167 A HA 0.153 4.473 4.320 0.000 0.000 0.268 167 A C 0.266 177.897 177.584 0.078 0.000 1.100 167 A CA -0.570 51.527 52.037 0.099 0.000 0.803 167 A CB 0.546 19.629 19.000 0.139 0.000 1.043 167 A HN 0.447 nan 8.150 nan 0.000 0.488 168 D N 1.809 122.247 120.400 0.064 0.000 2.417 168 D HA 0.182 4.822 4.640 0.000 0.000 0.250 168 D C -1.470 174.866 176.300 0.061 0.000 1.166 168 D CA -1.518 52.513 54.000 0.051 0.000 0.881 168 D CB 1.051 41.871 40.800 0.033 0.000 1.164 168 D HN 0.137 nan 8.370 nan 0.000 0.467 169 P HA -0.137 nan 4.420 nan 0.000 0.219 169 P C 1.030 178.411 177.300 0.134 0.000 1.146 169 P CA 0.887 64.042 63.100 0.093 0.000 0.808 169 P CB 0.267 32.014 31.700 0.078 0.000 0.779 170 Q N -0.836 119.017 119.800 0.088 0.000 2.500 170 Q HA -0.008 4.332 4.340 0.000 0.000 0.213 170 Q C 1.918 177.877 176.000 -0.067 0.000 0.974 170 Q CA 0.825 56.664 55.803 0.059 0.000 0.918 170 Q CB -0.761 28.020 28.738 0.071 0.000 0.980 170 Q HN 0.286 nan 8.270 nan 0.000 0.505 171 S N 0.563 116.221 115.700 -0.069 0.000 2.469 171 S HA -0.148 4.322 4.470 0.000 0.000 0.238 171 S C 1.611 175.914 174.600 -0.495 0.000 0.998 171 S CA 0.971 59.073 58.200 -0.164 0.000 0.957 171 S CB -0.425 62.743 63.200 -0.054 0.000 0.764 171 S HN 0.620 nan 8.310 nan 0.000 0.514 172 H N 1.031 119.767 119.070 -0.556 0.000 2.426 172 H HA -0.143 4.413 4.556 0.000 0.000 0.298 172 H C 1.424 176.371 175.328 -0.636 0.000 1.107 172 H CA 1.651 57.161 56.048 -0.895 0.000 1.298 172 H CB -0.745 28.776 29.762 -0.402 0.000 1.377 172 H HN 0.517 nan 8.280 nan 0.000 0.519 173 H N 0.906 119.461 119.070 -0.858 0.000 2.518 173 H HA -0.020 4.536 4.556 0.000 0.000 0.289 173 H C 2.515 177.707 175.328 -0.226 0.000 1.051 173 H CA 1.055 56.816 56.048 -0.479 0.000 1.280 173 H CB 0.248 29.766 29.762 -0.407 0.000 1.380 173 H HN 0.414 nan 8.280 nan 0.000 0.566 174 L N -0.500 120.631 121.223 -0.153 0.000 2.156 174 L HA -0.114 4.226 4.340 0.000 0.000 0.208 174 L C 2.168 179.138 176.870 0.166 0.000 1.095 174 L CA 0.369 55.217 54.840 0.013 0.000 0.770 174 L CB -0.409 41.663 42.059 0.022 0.000 0.914 174 L HN 0.067 nan 8.230 nan 0.000 0.439 175 F N 0.546 120.566 119.950 0.117 0.000 2.095 175 F HA -0.226 4.301 4.527 0.000 0.000 0.298 175 F C 1.838 177.710 175.800 0.120 0.000 1.104 175 F CA 1.082 59.152 58.000 0.117 0.000 1.232 175 F CB -0.630 38.436 39.000 0.110 0.000 0.987 175 F HN 0.124 nan 8.300 nan 0.000 0.475 176 D N -0.374 120.207 120.400 0.303 0.000 2.424 176 D HA 0.068 4.709 4.640 0.000 0.000 0.220 176 D C 0.282 176.695 176.300 0.188 0.000 1.150 176 D CA -0.030 54.100 54.000 0.217 0.000 0.831 176 D CB -0.057 40.851 40.800 0.181 0.000 0.981 176 D HN 0.109 nan 8.370 nan 0.000 0.500 177 R N 1.070 121.686 120.500 0.193 0.000 2.484 177 R HA 0.079 4.419 4.340 0.000 0.000 0.293 177 R C 0.447 176.853 176.300 0.176 0.000 1.023 177 R CA 0.247 56.424 56.100 0.127 0.000 1.037 177 R CB 0.624 30.953 30.300 0.048 0.000 0.951 177 R HN 0.231 nan 8.270 nan 0.000 0.418 178 H N 2.767 121.850 119.070 0.021 0.000 2.466 178 H HA 0.339 4.895 4.556 0.000 0.000 0.338 178 H C -1.309 173.987 175.328 -0.054 0.000 1.091 178 H CA -0.767 55.298 56.048 0.028 0.000 1.207 178 H CB 1.314 31.096 29.762 0.034 0.000 1.466 178 H HN 0.212 nan 8.280 nan 0.000 0.493 179 V N 4.314 123.863 119.914 -0.608 0.000 2.444 179 V HA 0.179 4.299 4.120 0.000 0.000 0.294 179 V C 0.041 175.784 176.094 -0.585 0.000 1.022 179 V CA -0.653 61.330 62.300 -0.529 0.000 0.850 179 V CB 1.475 33.070 31.823 -0.381 0.000 0.992 179 V HN 0.763 nan 8.190 nan 0.000 0.426 180 S N 2.707 118.147 115.700 -0.433 0.000 2.472 180 S HA 0.551 5.021 4.470 0.000 0.000 0.303 180 S C 0.533 175.066 174.600 -0.112 0.000 1.099 180 S CA -0.002 58.066 58.200 -0.220 0.000 1.077 180 S CB 1.557 64.715 63.200 -0.070 0.000 1.031 180 S HN 0.961 nan 8.310 nan 0.000 0.487 181 S N 2.387 118.046 115.700 -0.067 0.000 2.741 181 S HA 0.204 4.674 4.470 0.000 0.000 0.247 181 S C 0.226 174.808 174.600 -0.030 0.000 1.050 181 S CA -0.457 57.713 58.200 -0.051 0.000 1.025 181 S CB 0.301 63.466 63.200 -0.058 0.000 0.897 181 S HN 0.510 nan 8.310 nan 0.000 0.508 182 S N 2.754 118.448 115.700 -0.011 0.000 4.139 182 S HA 0.423 4.893 4.470 0.000 0.000 0.215 182 S C 0.194 174.792 174.600 -0.002 0.000 1.390 182 S CA -0.398 57.803 58.200 0.001 0.000 0.885 182 S CB -1.141 62.073 63.200 0.023 0.000 1.560 182 S HN 0.648 nan 8.310 nan 0.000 0.449 183 V N 2.800 122.707 119.914 -0.012 0.000 2.815 183 V HA 0.981 5.101 4.120 0.000 0.000 0.314 183 V C -0.618 175.469 176.094 -0.012 0.000 1.064 183 V CA -1.323 60.969 62.300 -0.013 0.000 0.952 183 V CB 1.805 33.616 31.823 -0.020 0.000 1.020 183 V HN 0.722 nan 8.190 nan 0.000 0.439 184 R N 2.595 123.089 120.500 -0.009 0.000 2.855 184 R HA 0.781 5.121 4.340 0.000 0.000 0.266 184 R C -0.964 175.331 176.300 -0.009 0.000 1.034 184 R CA -1.057 55.038 56.100 -0.009 0.000 0.944 184 R CB 0.697 30.995 30.300 -0.004 0.000 1.219 184 R HN 0.767 nan 8.270 nan 0.000 0.474 185 L N 2.105 123.323 121.223 -0.009 0.000 2.525 185 L HA 0.149 4.489 4.340 0.000 0.000 0.278 185 L C -0.393 176.473 176.870 -0.006 0.000 1.218 185 L CA 0.533 55.368 54.840 -0.008 0.000 0.878 185 L CB -0.127 41.927 42.059 -0.008 0.000 1.127 185 L HN 0.928 nan 8.230 nan 0.000 0.492 186 N N 1.980 120.677 118.700 -0.006 0.000 2.329 186 N HA -0.072 4.668 4.740 0.000 0.000 0.237 186 N C 0.426 175.934 175.510 -0.003 0.000 1.258 186 N CA 0.131 53.178 53.050 -0.005 0.000 0.866 186 N CB 0.266 38.750 38.487 -0.005 0.000 1.102 186 N HN 0.593 nan 8.380 nan 0.000 0.440 187 D N 0.016 120.415 120.400 -0.002 0.000 2.116 187 D HA -0.266 4.374 4.640 0.000 0.000 0.193 187 D C 1.549 177.849 176.300 -0.000 0.000 0.998 187 D CA 1.434 55.434 54.000 -0.000 0.000 0.836 187 D CB -0.364 40.436 40.800 0.000 0.000 0.951 187 D HN 0.825 nan 8.370 nan 0.000 0.449 188 Q N 0.405 120.205 119.800 -0.001 0.000 2.061 188 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 188 Q C 1.217 177.217 176.000 -0.001 0.000 0.984 188 Q CA 1.664 57.467 55.803 -0.001 0.000 0.846 188 Q CB 0.107 28.844 28.738 -0.001 0.000 0.902 188 Q HN 0.162 nan 8.270 nan 0.000 0.421 189 D N 0.305 120.704 120.400 -0.002 0.000 2.194 189 D HA -0.106 4.534 4.640 0.000 0.000 0.204 189 D C 1.912 178.211 176.300 -0.002 0.000 0.964 189 D CA 0.402 54.401 54.000 -0.002 0.000 0.846 189 D CB -0.123 40.674 40.800 -0.004 0.000 0.962 189 D HN 0.216 nan 8.370 nan 0.000 0.490 190 L N 1.285 122.507 121.223 -0.001 0.000 2.083 190 L HA -0.164 4.176 4.340 0.000 0.000 0.209 190 L C 1.665 178.536 176.870 0.002 0.000 1.083 190 L CA 1.739 56.579 54.840 0.000 0.000 0.752 190 L CB -0.503 41.556 42.059 0.000 0.000 0.899 190 L HN -0.150 nan 8.230 nan 0.000 0.433 191 D N -0.774 119.627 120.400 0.002 0.000 2.144 191 D HA -0.205 4.435 4.640 0.000 0.000 0.199 191 D C 2.160 178.462 176.300 0.004 0.000 0.984 191 D CA 1.503 55.505 54.000 0.004 0.000 0.834 191 D CB -0.085 40.717 40.800 0.003 0.000 0.955 191 D HN 0.481 nan 8.370 nan 0.000 0.465 192 I N -0.176 120.395 120.570 0.003 0.000 2.179 192 I HA -0.206 3.964 4.170 0.000 0.000 0.242 192 I C 2.284 178.403 176.117 0.004 0.000 1.088 192 I CA 0.441 61.743 61.300 0.003 0.000 1.357 192 I CB -0.272 37.729 38.000 0.002 0.000 1.051 192 I HN 0.139 nan 8.210 nan 0.000 0.409 193 L N 0.626 121.851 121.223 0.003 0.000 2.013 193 L HA -0.192 4.148 4.340 0.000 0.000 0.212 193 L C 2.440 179.315 176.870 0.007 0.000 1.073 193 L CA 1.875 56.717 54.840 0.004 0.000 0.753 193 L CB -0.609 41.452 42.059 0.002 0.000 0.890 193 L HN 0.001 nan 8.230 nan 0.000 0.432 194 V N -0.195 119.724 119.914 0.008 0.000 2.332 194 V HA -0.331 3.789 4.120 0.000 0.000 0.248 194 V C 2.613 178.713 176.094 0.011 0.000 1.055 194 V CA 2.139 64.445 62.300 0.010 0.000 1.038 194 V CB -0.739 31.090 31.823 0.009 0.000 0.651 194 V HN 0.479 nan 8.190 nan 0.000 0.450 195 K N 0.173 120.579 120.400 0.009 0.000 2.103 195 K HA -0.166 4.154 4.320 0.000 0.000 0.207 195 K C 2.285 178.892 176.600 0.012 0.000 1.048 195 K CA 1.533 57.827 56.287 0.010 0.000 0.930 195 K CB -0.404 32.101 32.500 0.008 0.000 0.716 195 K HN 0.500 nan 8.250 nan 0.000 0.444 196 A N 1.325 124.152 122.820 0.012 0.000 1.930 196 A HA -0.096 4.224 4.320 0.000 0.000 0.217 196 A C 2.112 179.706 177.584 0.018 0.000 1.175 196 A CA 1.098 53.144 52.037 0.014 0.000 0.627 196 A CB -0.496 18.511 19.000 0.012 0.000 0.815 196 A HN 0.137 nan 8.150 nan 0.000 0.443 197 L N -0.320 120.914 121.223 0.017 0.000 2.056 197 L HA -0.166 4.174 4.340 0.000 0.000 0.207 197 L C 2.178 179.061 176.870 0.023 0.000 1.078 197 L CA 1.095 55.948 54.840 0.021 0.000 0.749 197 L CB -0.639 41.431 42.059 0.019 0.000 0.901 197 L HN 0.323 nan 8.230 nan 0.000 0.433 198 N N -0.370 118.342 118.700 0.020 0.000 2.223 198 N HA -0.124 4.616 4.740 0.000 0.000 0.185 198 N C 1.916 177.438 175.510 0.020 0.000 1.016 198 N CA 1.338 54.400 53.050 0.020 0.000 0.863 198 N CB -0.146 38.350 38.487 0.016 0.000 0.983 198 N HN 0.184 nan 8.380 nan 0.000 0.429 199 S N 0.177 115.889 115.700 0.019 0.000 2.496 199 S HA 0.211 4.681 4.470 0.000 0.000 0.224 199 S C 0.891 175.505 174.600 0.023 0.000 0.996 199 S CA -0.197 58.015 58.200 0.019 0.000 0.927 199 S CB 0.045 63.254 63.200 0.016 0.000 0.774 199 S HN 0.431 nan 8.310 nan 0.000 0.524 200 A N 1.992 124.829 122.820 0.028 0.000 2.540 200 A HA 0.281 4.601 4.320 0.000 0.000 0.239 200 A C 1.353 178.960 177.584 0.039 0.000 1.061 200 A CA 0.189 52.248 52.037 0.036 0.000 0.758 200 A CB 0.165 19.192 19.000 0.045 0.000 0.991 200 A HN 0.417 nan 8.150 nan 0.000 0.502 201 S N 0.915 116.639 115.700 0.039 0.000 2.478 201 S HA 0.047 4.517 4.470 0.000 0.000 0.222 201 S C 0.642 175.271 174.600 0.049 0.000 1.008 201 S CA 0.754 58.975 58.200 0.035 0.000 0.928 201 S CB -0.069 63.144 63.200 0.022 0.000 0.781 201 S HN 0.786 nan 8.310 nan 0.000 0.518 202 N N 1.782 120.528 118.700 0.076 0.000 2.732 202 N HA 0.334 5.074 4.740 0.000 0.000 0.230 202 N C -3.301 172.363 175.510 0.257 0.000 1.487 202 N CA -1.470 51.659 53.050 0.133 0.000 0.765 202 N CB 1.288 39.812 38.487 0.060 0.000 1.384 202 N HN 0.124 nan 8.380 nan 0.000 0.530 203 P HA 0.373 nan 4.420 nan 0.000 0.274 203 P C -0.976 176.355 177.300 0.052 0.000 1.231 203 P CA -0.305 62.865 63.100 0.117 0.000 0.790 203 P CB 1.550 33.288 31.700 0.063 0.000 0.951 204 A N 2.591 125.379 122.820 -0.055 0.000 2.454 204 A HA 0.779 5.099 4.320 0.000 0.000 0.302 204 A C -0.796 176.768 177.584 -0.034 0.000 1.079 204 A CA -0.839 51.111 52.037 -0.144 0.000 0.731 204 A CB 1.136 19.910 19.000 -0.375 0.000 1.299 204 A HN 0.451 nan 8.150 nan 0.000 0.413 205 I N 0.932 121.495 120.570 -0.012 0.000 2.509 205 I HA 0.529 4.699 4.170 0.000 0.000 0.293 205 I C -1.022 175.117 176.117 0.036 0.000 1.020 205 I CA -0.961 60.333 61.300 -0.010 0.000 1.088 205 I CB 2.252 40.210 38.000 -0.070 0.000 1.267 205 I HN 0.315 nan 8.210 nan 0.000 0.430 206 V N 6.837 126.780 119.914 0.048 0.000 2.483 206 V HA 0.487 4.607 4.120 0.000 0.000 0.297 206 V C -0.302 175.826 176.094 0.057 0.000 1.027 206 V CA -0.520 61.822 62.300 0.069 0.000 0.855 206 V CB 1.859 33.742 31.823 0.101 0.000 0.995 206 V HN 0.458 nan 8.190 nan 0.000 0.424 207 L N 3.917 125.165 121.223 0.042 0.000 2.334 207 L HA 0.922 5.262 4.340 0.000 0.000 0.276 207 L C 0.699 177.613 176.870 0.073 0.000 1.014 207 L CA -0.285 54.591 54.840 0.060 0.000 0.815 207 L CB 1.991 44.094 42.059 0.072 0.000 1.268 207 L HN 0.760 nan 8.230 nan 0.000 0.428 208 G N 0.781 109.629 108.800 0.080 0.000 3.108 208 G HA2 0.538 4.498 3.960 0.000 0.000 0.268 208 G HA3 0.538 4.498 3.960 0.000 0.000 0.268 208 G C -2.234 172.726 174.900 0.101 0.000 1.361 208 G CA -0.901 44.250 45.100 0.084 0.000 1.047 208 G HN 0.397 nan 8.290 nan 0.000 0.540 209 P HA -0.019 nan 4.420 nan 0.000 0.221 209 P C 0.557 177.927 177.300 0.116 0.000 1.150 209 P CA 0.889 64.063 63.100 0.124 0.000 0.800 209 P CB 0.331 32.104 31.700 0.122 0.000 0.787 210 D N -0.356 120.111 120.400 0.111 0.000 2.310 210 D HA -0.057 4.583 4.640 0.000 0.000 0.212 210 D C 2.000 178.341 176.300 0.069 0.000 0.965 210 D CA 0.539 54.596 54.000 0.095 0.000 0.879 210 D CB -0.263 40.587 40.800 0.083 0.000 0.921 210 D HN 0.050 nan 8.370 nan 0.000 0.510 211 V N 1.081 121.039 119.914 0.074 0.000 2.295 211 V HA -0.240 3.880 4.120 0.000 0.000 0.246 211 V C 2.194 178.328 176.094 0.067 0.000 1.049 211 V CA 1.894 64.235 62.300 0.069 0.000 1.024 211 V CB -0.336 31.539 31.823 0.086 0.000 0.648 211 V HN 0.076 nan 8.190 nan 0.000 0.447 212 D N -0.025 120.422 120.400 0.079 0.000 2.117 212 D HA -0.090 4.551 4.640 0.000 0.000 0.198 212 D C 2.124 178.469 176.300 0.074 0.000 0.982 212 D CA 1.312 55.353 54.000 0.069 0.000 0.828 212 D CB -0.168 40.671 40.800 0.065 0.000 0.967 212 D HN 0.339 nan 8.370 nan 0.000 0.464 213 A N 0.401 123.275 122.820 0.090 0.000 1.940 213 A HA -0.044 4.276 4.320 0.000 0.000 0.219 213 A C 2.248 179.867 177.584 0.058 0.000 1.176 213 A CA 2.107 54.197 52.037 0.089 0.000 0.631 213 A CB -0.880 18.178 19.000 0.096 0.000 0.814 213 A HN 0.319 nan 8.150 nan 0.000 0.446 214 A N -1.624 121.224 122.820 0.047 0.000 2.208 214 A HA 0.181 4.501 4.320 0.000 0.000 0.209 214 A C 1.008 178.608 177.584 0.028 0.000 1.161 214 A CA 0.768 52.824 52.037 0.031 0.000 0.782 214 A CB -0.426 18.589 19.000 0.024 0.000 0.816 214 A HN 0.550 nan 8.150 nan 0.000 0.477 215 N N -1.956 116.763 118.700 0.032 0.000 2.727 215 N HA -0.219 4.521 4.740 0.000 0.000 0.249 215 N C 0.552 176.072 175.510 0.016 0.000 1.048 215 N CA 0.878 53.940 53.050 0.021 0.000 0.714 215 N CB -1.329 37.166 38.487 0.014 0.000 0.959 215 N HN 0.612 nan 8.380 nan 0.000 0.544 216 A N -0.790 122.045 122.820 0.025 0.000 2.307 216 A HA 0.143 4.463 4.320 0.000 0.000 0.218 216 A C 1.691 179.291 177.584 0.027 0.000 1.228 216 A CA 0.501 52.553 52.037 0.025 0.000 0.857 216 A CB 0.012 19.032 19.000 0.032 0.000 0.897 216 A HN 0.468 nan 8.150 nan 0.000 0.495 217 N N 1.682 120.392 118.700 0.016 0.000 2.043 217 N HA -0.163 4.577 4.740 0.000 0.000 0.193 217 N C 1.832 177.312 175.510 -0.050 0.000 1.037 217 N CA 1.881 54.930 53.050 -0.001 0.000 0.851 217 N CB -0.460 38.005 38.487 -0.038 0.000 1.027 217 N HN 0.445 nan 8.380 nan 0.000 0.422 218 A N 0.992 123.777 122.820 -0.058 0.000 1.902 218 A HA -0.160 4.160 4.320 0.000 0.000 0.217 218 A C 1.679 179.243 177.584 -0.035 0.000 1.181 218 A CA 1.671 53.666 52.037 -0.070 0.000 0.623 218 A CB -0.519 18.451 19.000 -0.051 0.000 0.818 218 A HN 0.150 nan 8.150 nan 0.000 0.443 219 D N -0.340 120.057 120.400 -0.006 0.000 2.117 219 D HA -0.128 4.512 4.640 0.000 0.000 0.197 219 D C 2.035 178.357 176.300 0.037 0.000 0.987 219 D CA 1.459 55.468 54.000 0.014 0.000 0.829 219 D CB -0.591 40.219 40.800 0.017 0.000 0.961 219 D HN 0.460 nan 8.370 nan 0.000 0.460 220 C N 0.375 119.713 119.300 0.064 0.000 2.425 220 C HA -0.068 4.392 4.460 0.000 0.000 0.277 220 C C 2.948 178.060 174.990 0.203 0.000 1.280 220 C CA 0.060 59.158 59.018 0.134 0.000 1.744 220 C CB -0.826 27.031 27.740 0.194 0.000 1.989 220 C HN 0.170 nan 8.230 nan 0.000 0.491 221 V N 0.927 120.891 119.914 0.083 0.000 2.287 221 V HA -0.300 3.820 4.120 0.000 0.000 0.248 221 V C 2.472 178.578 176.094 0.021 0.000 1.053 221 V CA 2.457 64.719 62.300 -0.064 0.000 1.027 221 V CB -0.675 30.942 31.823 -0.344 0.000 0.646 221 V HN 0.550 nan 8.190 nan 0.000 0.447 222 M N -0.120 119.493 119.600 0.023 0.000 2.117 222 M HA -0.134 4.346 4.480 0.000 0.000 0.262 222 M C 1.863 178.195 176.300 0.053 0.000 1.065 222 M CA 1.899 57.222 55.300 0.038 0.000 1.114 222 M CB -0.731 31.884 32.600 0.024 0.000 1.361 222 M HN 0.260 nan 8.290 nan 0.000 0.408 223 L N 0.601 121.858 121.223 0.056 0.000 2.012 223 L HA -0.052 4.288 4.340 0.000 0.000 0.210 223 L C 2.393 179.297 176.870 0.057 0.000 1.073 223 L CA 2.423 57.294 54.840 0.051 0.000 0.748 223 L CB -1.450 40.637 42.059 0.047 0.000 0.891 223 L HN 0.391 nan 8.230 nan 0.000 0.431 224 A N -0.962 121.904 122.820 0.076 0.000 1.902 224 A HA -0.238 4.082 4.320 0.000 0.000 0.217 224 A C 2.160 179.803 177.584 0.099 0.000 1.181 224 A CA 1.881 53.959 52.037 0.069 0.000 0.623 224 A CB -0.649 18.403 19.000 0.086 0.000 0.818 224 A HN 0.631 nan 8.150 nan 0.000 0.443 225 E N -0.731 119.545 120.200 0.125 0.000 2.077 225 E HA -0.165 4.186 4.350 0.000 0.000 0.193 225 E C 2.361 179.010 176.600 0.082 0.000 0.989 225 E CA 0.797 57.276 56.400 0.132 0.000 0.800 225 E CB -0.164 29.622 29.700 0.143 0.000 0.746 225 E HN 0.367 nan 8.360 nan 0.000 0.452 226 R N 0.492 121.030 120.500 0.064 0.000 2.083 226 R HA -0.095 4.245 4.340 0.000 0.000 0.237 226 R C 2.300 178.626 176.300 0.043 0.000 1.137 226 R CA 1.003 57.131 56.100 0.047 0.000 0.951 226 R CB -0.455 29.868 30.300 0.039 0.000 0.851 226 R HN 0.264 nan 8.270 nan 0.000 0.434 227 L N 0.972 122.221 121.223 0.044 0.000 2.558 227 L HA 0.043 4.383 4.340 0.000 0.000 0.225 227 L C 0.180 177.076 176.870 0.044 0.000 1.128 227 L CA 0.103 54.967 54.840 0.040 0.000 0.868 227 L CB -0.034 42.045 42.059 0.034 0.000 1.006 227 L HN 0.047 nan 8.230 nan 0.000 0.454 228 K N -0.159 120.272 120.400 0.052 0.000 3.096 228 K HA -0.171 4.149 4.320 0.000 0.000 0.266 228 K C -0.047 176.581 176.600 0.046 0.000 1.043 228 K CA 0.857 57.177 56.287 0.054 0.000 0.758 228 K CB -2.021 30.506 32.500 0.046 0.000 1.260 228 K HN 0.327 nan 8.250 nan 0.000 0.481 229 A N 1.151 123.990 122.820 0.032 0.000 2.330 229 A HA 0.661 4.981 4.320 0.000 0.000 0.327 229 A C -2.111 175.433 177.584 -0.067 0.000 1.155 229 A CA -1.492 50.544 52.037 -0.002 0.000 0.803 229 A CB 1.023 20.016 19.000 -0.013 0.000 1.208 229 A HN -0.029 nan 8.150 nan 0.000 0.477 230 P HA 0.290 nan 4.420 nan 0.000 0.272 230 P C -0.715 176.338 177.300 -0.412 0.000 1.223 230 P CA 0.017 62.924 63.100 -0.321 0.000 0.784 230 P CB 0.970 32.412 31.700 -0.430 0.000 0.923 231 V N 3.299 122.853 119.914 -0.599 0.000 2.531 231 V HA 0.379 4.499 4.120 0.000 0.000 0.301 231 V C -0.242 175.440 176.094 -0.686 0.000 1.034 231 V CA -0.465 61.499 62.300 -0.561 0.000 0.865 231 V CB 1.908 33.201 31.823 -0.883 0.000 0.995 231 V HN 0.609 nan 8.190 nan 0.000 0.424 232 W N 2.671 123.744 121.300 -0.379 0.000 2.719 232 W HA 0.671 5.331 4.660 0.000 0.000 0.352 232 W C -0.514 175.832 176.519 -0.289 0.000 1.085 232 W CA -0.742 56.351 57.345 -0.420 0.000 1.187 232 W CB 2.175 31.412 29.460 -0.373 0.000 1.417 232 W HN 0.366 nan 8.180 nan 0.000 0.557 233 V N 2.770 122.633 119.914 -0.085 0.000 2.481 233 V HA 0.594 4.714 4.120 0.000 0.000 0.286 233 V C 0.311 176.298 176.094 -0.178 0.000 1.042 233 V CA -0.406 61.834 62.300 -0.100 0.000 0.928 233 V CB 0.859 32.568 31.823 -0.191 0.000 0.986 233 V HN 0.572 nan 8.190 nan 0.000 0.462 234 A N 9.476 132.234 122.820 -0.104 0.000 2.466 234 A HA 0.509 4.829 4.320 0.000 0.000 0.238 234 A C -2.197 175.280 177.584 -0.179 0.000 1.074 234 A CA -0.834 51.127 52.037 -0.126 0.000 0.774 234 A CB -0.313 18.710 19.000 0.038 0.000 1.015 234 A HN 0.780 nan 8.150 nan 0.000 0.498 235 P HA 0.111 nan 4.420 nan 0.000 0.271 235 P C -0.065 177.183 177.300 -0.086 0.000 1.233 235 P CA 0.427 63.423 63.100 -0.174 0.000 0.789 235 P CB 0.574 32.188 31.700 -0.144 0.000 0.951 236 S N -1.993 113.660 115.700 -0.079 0.000 3.641 236 S HA -0.173 4.297 4.470 0.000 0.000 0.346 236 S C 0.604 175.226 174.600 0.037 0.000 1.074 236 S CA 0.706 58.905 58.200 -0.002 0.000 1.026 236 S CB -2.190 61.072 63.200 0.104 0.000 0.908 236 S HN 0.936 nan 8.310 nan 0.000 0.479 237 A N 0.915 123.709 122.820 -0.043 0.000 2.537 237 A HA 0.414 4.734 4.320 0.000 0.000 0.260 237 A C -0.551 177.259 177.584 0.377 0.000 1.082 237 A CA -0.705 51.404 52.037 0.120 0.000 0.765 237 A CB 0.091 19.117 19.000 0.043 0.000 1.019 237 A HN 0.292 nan 8.150 nan 0.000 0.507 238 P HA 0.024 nan 4.420 nan 0.000 0.231 238 P C 0.224 177.745 177.300 0.369 0.000 1.168 238 P CA 0.948 64.273 63.100 0.376 0.000 0.779 238 P CB 0.312 32.121 31.700 0.182 0.000 0.844 239 R N -2.584 118.139 120.500 0.372 0.000 2.781 239 R HA 0.556 4.896 4.340 0.000 0.000 0.269 239 R C -1.401 175.117 176.300 0.364 0.000 1.025 239 R CA -0.820 55.438 56.100 0.263 0.000 0.914 239 R CB 1.153 31.511 30.300 0.097 0.000 1.236 239 R HN -0.150 nan 8.270 nan 0.000 0.465 240 C N 2.993 122.421 119.300 0.213 0.000 2.251 240 C HA 0.508 4.968 4.460 0.000 0.000 0.323 240 C C -1.655 173.415 174.990 0.135 0.000 1.241 240 C CA -1.901 57.245 59.018 0.214 0.000 1.601 240 C CB 0.630 28.349 27.740 -0.035 0.000 2.251 240 C HN 0.633 nan 8.230 nan 0.000 0.488 241 P HA 0.211 nan 4.420 nan 0.000 0.268 241 P C -0.290 177.135 177.300 0.208 0.000 1.329 241 P CA 0.278 63.476 63.100 0.163 0.000 0.899 241 P CB 0.121 31.927 31.700 0.176 0.000 1.378 242 F N 1.440 121.352 119.950 -0.065 0.000 2.665 242 F HA 0.461 4.988 4.527 0.000 0.000 0.308 242 F C -2.663 172.936 175.800 -0.336 0.000 1.112 242 F CA -2.382 55.516 58.000 -0.169 0.000 0.972 242 F CB 1.915 40.851 39.000 -0.107 0.000 1.295 242 F HN -0.350 nan 8.300 nan 0.000 0.440 243 P HA 0.094 nan 4.420 nan 0.000 0.266 243 P C 0.427 177.473 177.300 -0.423 0.000 1.215 243 P CA 0.174 63.026 63.100 -0.412 0.000 0.763 243 P CB 0.632 32.108 31.700 -0.373 0.000 0.806 244 T N 0.338 114.630 114.554 -0.436 0.000 3.118 244 T HA 0.035 4.385 4.350 0.000 0.000 0.260 244 T C 1.062 175.729 174.700 -0.054 0.000 1.139 244 T CA 0.487 62.249 62.100 -0.564 0.000 1.085 244 T CB -0.228 68.473 68.868 -0.278 0.000 0.934 244 T HN 0.217 nan 8.240 nan 0.000 0.518 245 R N 0.431 120.921 120.500 -0.018 0.000 2.543 245 R HA 0.202 4.542 4.340 0.000 0.000 0.323 245 R C 0.238 176.591 176.300 0.088 0.000 1.002 245 R CA -0.365 55.774 56.100 0.066 0.000 1.106 245 R CB -0.256 30.055 30.300 0.018 0.000 1.280 245 R HN 0.571 nan 8.270 nan 0.000 0.549 246 H N 3.059 122.147 119.070 0.029 0.000 2.897 246 H HA 0.034 4.590 4.556 0.000 0.000 0.347 246 H C -1.431 173.987 175.328 0.150 0.000 1.068 246 H CA -0.921 55.169 56.048 0.071 0.000 1.426 246 H CB 1.605 31.407 29.762 0.066 0.000 1.410 246 H HN -0.143 nan 8.280 nan 0.000 0.597 247 P HA -0.095 nan 4.420 nan 0.000 0.222 247 P C 1.346 178.735 177.300 0.149 0.000 1.147 247 P CA 0.905 64.000 63.100 -0.008 0.000 0.790 247 P CB -0.063 31.565 31.700 -0.119 0.000 0.780 248 C N -2.268 117.294 119.300 0.436 0.000 2.500 248 C HA 0.128 4.588 4.460 0.000 0.000 0.273 248 C C 1.247 176.266 174.990 0.048 0.000 1.428 248 C CA -0.523 58.637 59.018 0.236 0.000 1.766 248 C CB -2.018 25.881 27.740 0.266 0.000 1.817 248 C HN 0.092 nan 8.230 nan 0.000 0.543 249 F N 2.064 122.040 119.950 0.043 0.000 2.504 249 F HA 0.270 4.797 4.527 0.000 0.000 0.369 249 F C 1.240 176.872 175.800 -0.280 0.000 1.082 249 F CA -0.078 57.848 58.000 -0.123 0.000 1.216 249 F CB 0.427 39.506 39.000 0.131 0.000 1.108 249 F HN -0.038 nan 8.300 nan 0.000 0.554 250 R N 3.665 123.487 120.500 -1.130 0.000 2.476 250 R HA 0.342 4.682 4.340 0.000 0.000 0.276 250 R C 0.583 176.243 176.300 -1.068 0.000 0.941 250 R CA 0.367 55.794 56.100 -1.123 0.000 1.088 250 R CB -0.039 29.242 30.300 -1.699 0.000 1.216 250 R HN 0.957 nan 8.270 nan 0.000 0.533 251 G N 1.194 109.038 108.800 -1.594 0.000 2.610 251 G HA2 -0.242 3.718 3.960 0.000 0.000 0.304 251 G HA3 -0.242 3.718 3.960 0.000 0.000 0.304 251 G C -1.161 173.378 174.900 -0.601 0.000 1.309 251 G CA -0.642 43.917 45.100 -0.901 0.000 0.906 251 G HN 0.151 nan 8.290 nan 0.000 0.521 252 L N 0.822 121.732 121.223 -0.521 0.000 2.360 252 L HA 0.681 5.021 4.340 0.000 0.000 0.276 252 L C 1.134 177.797 176.870 -0.344 0.000 1.121 252 L CA -0.093 54.361 54.840 -0.643 0.000 0.845 252 L CB 0.479 41.919 42.059 -1.031 0.000 1.143 252 L HN 0.585 nan 8.230 nan 0.000 0.452 253 M N 7.900 127.320 119.600 -0.300 0.000 2.228 253 M HA 0.250 4.730 4.480 0.000 0.000 0.351 253 M C -1.929 174.217 176.300 -0.257 0.000 1.233 253 M CA -1.530 53.595 55.300 -0.292 0.000 1.129 253 M CB 0.341 32.690 32.600 -0.418 0.000 1.604 253 M HN 0.481 nan 8.290 nan 0.000 0.457 254 P HA 0.076 nan 4.420 nan 0.000 0.269 254 P C -0.841 176.410 177.300 -0.083 0.000 1.209 254 P CA -0.214 62.804 63.100 -0.136 0.000 0.776 254 P CB 0.477 32.111 31.700 -0.109 0.000 0.876 255 A N 2.441 125.259 122.820 -0.003 0.000 3.135 255 A HA 0.533 4.853 4.320 0.000 0.000 0.253 255 A C 0.733 178.464 177.584 0.244 0.000 1.638 255 A CA -0.041 52.071 52.037 0.124 0.000 1.295 255 A CB -1.197 17.911 19.000 0.180 0.000 1.106 255 A HN 0.634 nan 8.150 nan 0.000 0.648 256 G N -0.671 108.247 108.800 0.197 0.000 2.638 256 G HA2 0.486 4.446 3.960 0.000 0.000 0.302 256 G HA3 0.486 4.446 3.960 0.000 0.000 0.302 256 G C 0.535 175.423 174.900 -0.020 0.000 1.365 256 G CA -0.631 44.514 45.100 0.075 0.000 0.987 256 G HN 0.162 nan 8.290 nan 0.000 0.495 257 I N 1.486 121.841 120.570 -0.358 0.000 2.099 257 I HA -0.226 3.944 4.170 0.000 0.000 0.239 257 I C 3.066 179.084 176.117 -0.166 0.000 1.066 257 I CA 1.958 63.001 61.300 -0.429 0.000 1.324 257 I CB -0.081 37.569 38.000 -0.584 0.000 1.037 257 I HN 0.557 nan 8.210 nan 0.000 0.401 258 A N 0.522 123.224 122.820 -0.197 0.000 1.898 258 A HA -0.129 4.191 4.320 0.000 0.000 0.216 258 A C 2.528 180.043 177.584 -0.116 0.000 1.181 258 A CA 1.736 53.682 52.037 -0.151 0.000 0.620 258 A CB -0.917 17.984 19.000 -0.166 0.000 0.819 258 A HN 0.448 nan 8.150 nan 0.000 0.442 259 A N 0.018 122.772 122.820 -0.111 0.000 1.908 259 A HA -0.145 4.175 4.320 0.000 0.000 0.218 259 A C 2.129 179.622 177.584 -0.153 0.000 1.181 259 A CA 1.702 53.670 52.037 -0.114 0.000 0.627 259 A CB -0.609 18.331 19.000 -0.100 0.000 0.818 259 A HN 0.511 nan 8.150 nan 0.000 0.445 260 I N 0.499 120.984 120.570 -0.143 0.000 2.286 260 I HA -0.216 3.954 4.170 0.000 0.000 0.245 260 I C 2.837 178.841 176.117 -0.189 0.000 1.104 260 I CA 1.442 62.601 61.300 -0.235 0.000 1.397 260 I CB -0.238 37.611 38.000 -0.252 0.000 1.072 260 I HN 0.510 nan 8.210 nan 0.000 0.417 261 S N 0.209 115.861 115.700 -0.079 0.000 2.402 261 S HA -0.261 4.209 4.470 0.000 0.000 0.229 261 S C 1.922 176.472 174.600 -0.084 0.000 1.021 261 S CA 1.077 59.248 58.200 -0.048 0.000 0.974 261 S CB -0.391 62.803 63.200 -0.010 0.000 0.800 261 S HN 0.353 nan 8.310 nan 0.000 0.484 262 Q N 1.554 121.291 119.800 -0.103 0.000 2.079 262 Q HA 0.135 4.475 4.340 0.000 0.000 0.200 262 Q C 2.004 177.934 176.000 -0.117 0.000 0.974 262 Q CA 1.469 57.215 55.803 -0.095 0.000 0.840 262 Q CB -0.776 27.910 28.738 -0.088 0.000 0.898 262 Q HN 0.655 nan 8.270 nan 0.000 0.430 263 L N -0.412 120.689 121.223 -0.203 0.000 2.079 263 L HA -0.154 4.186 4.340 0.000 0.000 0.210 263 L C 1.917 178.609 176.870 -0.297 0.000 1.081 263 L CA 0.937 55.592 54.840 -0.308 0.000 0.752 263 L CB -0.306 41.378 42.059 -0.624 0.000 0.896 263 L HN 0.264 nan 8.230 nan 0.000 0.433 264 L N -0.734 120.335 121.223 -0.257 0.000 2.591 264 L HA 0.025 4.365 4.340 0.000 0.000 0.228 264 L C 1.077 177.984 176.870 0.062 0.000 1.133 264 L CA -0.197 54.580 54.840 -0.105 0.000 0.880 264 L CB -0.314 41.664 42.059 -0.134 0.000 1.033 264 L HN 0.223 nan 8.230 nan 0.000 0.450 265 E N 0.730 120.929 120.200 -0.001 0.000 2.415 265 E HA 0.128 4.478 4.350 0.000 0.000 0.263 265 E C 1.141 177.699 176.600 -0.070 0.000 0.995 265 E CA 0.826 57.214 56.400 -0.020 0.000 0.915 265 E CB 0.411 30.088 29.700 -0.038 0.000 0.951 265 E HN 0.305 nan 8.360 nan 0.000 0.449 266 G N 4.115 112.865 108.800 -0.084 0.000 2.195 266 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 266 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 266 G C -0.118 174.646 174.900 -0.227 0.000 0.984 266 G CA 0.098 45.099 45.100 -0.164 0.000 0.633 266 G HN 0.713 nan 8.290 nan 0.000 0.525 267 H N 1.635 120.714 119.070 0.015 0.000 2.594 267 H HA 0.275 4.831 4.556 0.000 0.000 0.304 267 H C 1.162 176.501 175.328 0.019 0.000 1.068 267 H CA 0.284 56.348 56.048 0.027 0.000 1.308 267 H CB 1.462 31.248 29.762 0.040 0.000 1.409 267 H HN 0.464 nan 8.280 nan 0.000 0.460 268 D N 2.321 122.793 120.400 0.120 0.000 2.194 268 D HA -0.066 4.574 4.640 0.000 0.000 0.204 268 D C 0.461 176.804 176.300 0.072 0.000 0.964 268 D CA 0.467 54.511 54.000 0.072 0.000 0.846 268 D CB 0.430 41.258 40.800 0.047 0.000 0.962 268 D HN 0.110 nan 8.370 nan 0.000 0.490 269 V N 0.996 120.962 119.914 0.086 0.000 2.577 269 V HA 0.360 4.481 4.120 0.000 0.000 0.303 269 V C -0.515 175.616 176.094 0.061 0.000 1.042 269 V CA -1.002 61.335 62.300 0.061 0.000 0.872 269 V CB 2.542 34.392 31.823 0.046 0.000 0.998 269 V HN -0.083 nan 8.190 nan 0.000 0.423 270 V N 5.830 125.772 119.914 0.045 0.000 2.409 270 V HA 0.471 4.591 4.120 0.000 0.000 0.291 270 V C -0.544 175.567 176.094 0.028 0.000 1.020 270 V CA -0.565 61.754 62.300 0.032 0.000 0.848 270 V CB 1.711 33.557 31.823 0.039 0.000 0.990 270 V HN 0.668 nan 8.190 nan 0.000 0.430 271 L N 7.331 128.567 121.223 0.023 0.000 2.265 271 L HA 0.651 4.991 4.340 0.000 0.000 0.289 271 L C -0.395 176.491 176.870 0.027 0.000 1.033 271 L CA 0.165 55.016 54.840 0.018 0.000 0.814 271 L CB 1.488 43.555 42.059 0.013 0.000 1.203 271 L HN 0.445 nan 8.230 nan 0.000 0.423 272 V N 6.778 126.706 119.914 0.024 0.000 2.435 272 V HA 0.504 4.624 4.120 0.000 0.000 0.290 272 V C 0.085 176.188 176.094 0.016 0.000 1.030 272 V CA -0.431 61.893 62.300 0.039 0.000 0.881 272 V CB 1.492 33.334 31.823 0.032 0.000 0.983 272 V HN 0.592 nan 8.190 nan 0.000 0.445 273 I N 3.471 124.059 120.570 0.030 0.000 2.447 273 I HA 0.611 4.781 4.170 0.000 0.000 0.287 273 I C 0.937 177.075 176.117 0.035 0.000 1.023 273 I CA -0.408 60.907 61.300 0.024 0.000 1.083 273 I CB 1.714 39.731 38.000 0.029 0.000 1.245 273 I HN 0.842 nan 8.210 nan 0.000 0.434 274 G N 4.347 113.162 108.800 0.025 0.000 2.147 274 G HA2 -0.071 3.889 3.960 0.000 0.000 0.244 274 G HA3 -0.071 3.889 3.960 0.000 0.000 0.244 274 G C -0.035 174.898 174.900 0.055 0.000 1.005 274 G CA 0.180 45.304 45.100 0.040 0.000 0.713 274 G HN 1.018 nan 8.290 nan 0.000 0.515 275 A N -0.515 122.328 122.820 0.039 0.000 2.454 275 A HA 0.964 5.284 4.320 0.000 0.000 0.302 275 A C -2.611 174.967 177.584 -0.010 0.000 1.079 275 A CA -1.422 50.640 52.037 0.041 0.000 0.731 275 A CB 1.883 20.933 19.000 0.082 0.000 1.299 275 A HN 0.117 nan 8.150 nan 0.000 0.413 276 P HA 0.349 nan 4.420 nan 0.000 0.272 276 P C -0.724 176.456 177.300 -0.201 0.000 1.223 276 P CA -0.182 62.865 63.100 -0.087 0.000 0.784 276 P CB 0.718 32.384 31.700 -0.058 0.000 0.923 277 V N 3.242 122.924 119.914 -0.387 0.000 2.275 277 V HA 0.353 4.473 4.120 0.000 0.000 0.272 277 V C -0.410 175.340 176.094 -0.575 0.000 1.028 277 V CA 0.021 61.788 62.300 -0.889 0.000 0.810 277 V CB -0.969 30.346 31.823 -0.848 0.000 1.043 277 V HN 0.370 nan 8.190 nan 0.000 0.453 278 F N 2.243 121.927 119.950 -0.443 0.000 2.611 278 F HA 0.624 5.151 4.527 0.000 0.000 0.324 278 F C 0.528 175.961 175.800 -0.612 0.000 1.061 278 F CA -1.379 56.272 58.000 -0.582 0.000 0.954 278 F CB 1.785 40.306 39.000 -0.799 0.000 1.301 278 F HN 0.170 nan 8.300 nan 0.000 0.482 279 R N 1.645 122.063 120.500 -0.137 0.000 3.710 279 R HA 0.233 4.573 4.340 0.000 0.000 0.201 279 R C -1.326 174.977 176.300 0.005 0.000 1.641 279 R CA -0.117 55.949 56.100 -0.056 0.000 1.390 279 R CB -1.246 29.057 30.300 0.005 0.000 1.341 279 R HN 0.357 nan 8.270 nan 0.000 0.728 280 Y N -0.083 120.324 120.300 0.177 0.000 2.385 280 Y HA 0.070 4.620 4.550 0.000 0.000 0.346 280 Y C 1.717 177.760 175.900 0.239 0.000 1.270 280 Y CA 0.494 58.708 58.100 0.189 0.000 1.472 280 Y CB 0.451 39.039 38.460 0.213 0.000 1.354 280 Y HN 0.495 nan 8.280 nan 0.000 0.611 281 H N -1.155 118.104 119.070 0.316 0.000 2.984 281 H HA 0.116 4.672 4.556 0.000 0.000 0.137 281 H C 0.071 175.588 175.328 0.316 0.000 1.110 281 H CA -0.143 56.063 56.048 0.264 0.000 1.070 281 H CB 0.424 30.322 29.762 0.226 0.000 1.019 281 H HN 0.644 nan 8.280 nan 0.000 0.291 282 Q N 1.399 121.405 119.800 0.344 0.000 2.432 282 Q HA -0.105 4.235 4.340 0.000 0.000 0.264 282 Q C -1.045 175.129 176.000 0.289 0.000 1.035 282 Q CA 0.041 56.013 55.803 0.281 0.000 0.908 282 Q CB 0.535 29.317 28.738 0.074 0.000 1.280 282 Q HN 0.464 nan 8.270 nan 0.000 0.455 283 Y N 1.773 122.140 120.300 0.113 0.000 2.452 283 Y HA 0.211 4.761 4.550 0.000 0.000 0.348 283 Y C -0.953 174.931 175.900 -0.027 0.000 0.985 283 Y CA -1.039 57.084 58.100 0.038 0.000 1.214 283 Y CB 0.718 39.209 38.460 0.052 0.000 1.136 283 Y HN 0.759 nan 8.280 nan 0.000 0.523 284 D N 8.890 129.081 120.400 -0.348 0.000 2.513 284 D HA 0.277 4.917 4.640 0.000 0.000 0.295 284 D C -2.996 173.018 176.300 -0.478 0.000 1.202 284 D CA -2.071 51.724 54.000 -0.342 0.000 0.849 284 D CB 0.788 41.482 40.800 -0.177 0.000 1.116 284 D HN 0.232 nan 8.370 nan 0.000 0.502 285 P HA 0.460 nan 4.420 nan 0.000 0.272 285 P C 0.426 177.504 177.300 -0.370 0.000 1.223 285 P CA 0.211 62.939 63.100 -0.621 0.000 0.784 285 P CB 1.705 32.993 31.700 -0.686 0.000 0.923 286 G N 1.287 109.886 108.800 -0.334 0.000 2.404 286 G HA2 0.079 4.039 3.960 0.000 0.000 0.253 286 G HA3 0.079 4.039 3.960 0.000 0.000 0.253 286 G C -1.605 173.124 174.900 -0.286 0.000 1.253 286 G CA -0.688 44.259 45.100 -0.254 0.000 0.917 286 G HN 0.462 nan 8.290 nan 0.000 0.480 287 Q N -0.361 119.320 119.800 -0.199 0.000 2.288 287 Q HA 0.435 4.775 4.340 0.000 0.000 0.254 287 Q C 0.301 176.234 176.000 -0.111 0.000 0.932 287 Q CA -0.519 55.191 55.803 -0.154 0.000 0.902 287 Q CB 1.260 29.959 28.738 -0.066 0.000 1.203 287 Q HN 0.508 nan 8.270 nan 0.000 0.415 288 Y N 1.229 121.538 120.300 0.016 0.000 2.200 288 Y HA -0.044 4.506 4.550 0.000 0.000 0.290 288 Y C 0.532 176.486 175.900 0.091 0.000 1.137 288 Y CA 0.933 59.079 58.100 0.077 0.000 1.163 288 Y CB 0.355 38.873 38.460 0.096 0.000 0.988 288 Y HN 0.400 nan 8.280 nan 0.000 0.518 289 L N -0.644 120.700 121.223 0.202 0.000 2.434 289 L HA 0.357 4.697 4.340 0.000 0.000 0.260 289 L C -0.520 176.386 176.870 0.061 0.000 0.983 289 L CA -1.114 53.796 54.840 0.118 0.000 0.820 289 L CB 2.663 44.789 42.059 0.112 0.000 1.361 289 L HN -0.262 nan 8.230 nan 0.000 0.410 290 K N 1.450 121.870 120.400 0.032 0.000 2.107 290 K HA 0.396 4.716 4.320 0.000 0.000 0.251 290 K C -2.333 174.277 176.600 0.018 0.000 1.012 290 K CA -1.513 54.781 56.287 0.012 0.000 0.920 290 K CB 0.459 32.956 32.500 -0.005 0.000 1.033 290 K HN 0.249 nan 8.250 nan 0.000 0.478 291 P HA 0.003 nan 4.420 nan 0.000 0.269 291 P C 0.341 177.648 177.300 0.011 0.000 1.215 291 P CA 0.308 63.414 63.100 0.011 0.000 0.780 291 P CB 0.450 32.152 31.700 0.004 0.000 0.898 292 G N 0.758 109.567 108.800 0.014 0.000 2.168 292 G HA2 -0.214 3.746 3.960 0.000 0.000 0.263 292 G HA3 -0.214 3.746 3.960 0.000 0.000 0.263 292 G C 0.125 175.039 174.900 0.023 0.000 0.977 292 G CA 0.337 45.445 45.100 0.014 0.000 0.659 292 G HN 0.661 nan 8.290 nan 0.000 0.533 293 T N 0.676 115.248 114.554 0.031 0.000 2.758 293 T HA 0.562 4.912 4.350 0.000 0.000 0.285 293 T C 0.245 174.970 174.700 0.042 0.000 0.981 293 T CA -0.499 61.629 62.100 0.046 0.000 0.965 293 T CB 1.678 70.579 68.868 0.055 0.000 0.927 293 T HN 0.475 nan 8.240 nan 0.000 0.448 294 R N 3.650 124.174 120.500 0.040 0.000 2.407 294 R HA 0.635 4.975 4.340 0.000 0.000 0.303 294 R C -1.167 175.150 176.300 0.029 0.000 0.981 294 R CA -0.709 55.408 56.100 0.029 0.000 0.905 294 R CB 0.825 31.139 30.300 0.023 0.000 1.099 294 R HN 0.558 nan 8.270 nan 0.000 0.459 295 L N 5.645 126.878 121.223 0.017 0.000 2.329 295 L HA 0.577 4.917 4.340 0.000 0.000 0.279 295 L C -1.215 175.647 176.870 -0.014 0.000 1.014 295 L CA -0.631 54.213 54.840 0.007 0.000 0.814 295 L CB 1.454 43.511 42.059 -0.003 0.000 1.257 295 L HN 0.644 nan 8.230 nan 0.000 0.424 296 I N 3.807 124.368 120.570 -0.014 0.000 2.478 296 I HA 0.316 4.486 4.170 0.000 0.000 0.287 296 I C -0.606 175.492 176.117 -0.033 0.000 1.042 296 I CA -0.338 60.948 61.300 -0.023 0.000 1.067 296 I CB 2.056 40.050 38.000 -0.009 0.000 1.233 296 I HN 0.529 nan 8.210 nan 0.000 0.431 297 S N 5.948 121.615 115.700 -0.054 0.000 2.454 297 S HA 0.669 5.139 4.470 0.000 0.000 0.306 297 S C -0.772 173.801 174.600 -0.046 0.000 1.100 297 S CA -0.476 57.685 58.200 -0.064 0.000 1.087 297 S CB 1.313 64.444 63.200 -0.114 0.000 1.019 297 S HN 0.324 nan 8.310 nan 0.000 0.480 298 V N 4.531 124.426 119.914 -0.032 0.000 2.370 298 V HA 0.673 4.793 4.120 0.000 0.000 0.283 298 V C 0.381 176.458 176.094 -0.028 0.000 1.023 298 V CA -0.455 61.829 62.300 -0.026 0.000 0.857 298 V CB 1.173 32.988 31.823 -0.013 0.000 0.985 298 V HN 0.958 nan 8.190 nan 0.000 0.443 299 T N 3.077 117.609 114.554 -0.036 0.000 2.916 299 T HA 0.238 4.588 4.350 0.000 0.000 0.305 299 T C 0.737 175.404 174.700 -0.056 0.000 1.119 299 T CA -0.103 61.974 62.100 -0.039 0.000 1.008 299 T CB 1.356 70.199 68.868 -0.043 0.000 1.129 299 T HN 0.882 nan 8.240 nan 0.000 0.480 300 C N 1.760 121.011 119.300 -0.082 0.000 2.626 300 C HA 0.454 4.914 4.460 0.000 0.000 0.266 300 C C 0.460 175.354 174.990 -0.159 0.000 1.317 300 C CA -0.392 58.551 59.018 -0.126 0.000 1.716 300 C CB -1.460 26.176 27.740 -0.173 0.000 1.819 300 C HN 0.749 nan 8.230 nan 0.000 0.578 301 D N 0.972 121.298 120.400 -0.123 0.000 2.471 301 D HA 0.366 5.006 4.640 0.000 0.000 0.245 301 D C -1.919 174.354 176.300 -0.045 0.000 1.116 301 D CA -1.945 51.993 54.000 -0.104 0.000 0.853 301 D CB 1.963 42.725 40.800 -0.063 0.000 1.123 301 D HN -0.078 nan 8.370 nan 0.000 0.540 302 P HA -0.072 nan 4.420 nan 0.000 0.218 302 P C 1.710 179.011 177.300 0.002 0.000 1.148 302 P CA 0.759 63.849 63.100 -0.016 0.000 0.822 302 P CB 0.386 32.082 31.700 -0.008 0.000 0.784 303 L N -0.600 120.638 121.223 0.025 0.000 2.083 303 L HA -0.180 4.160 4.340 0.000 0.000 0.209 303 L C 2.378 179.266 176.870 0.029 0.000 1.083 303 L CA 1.538 56.409 54.840 0.052 0.000 0.752 303 L CB -0.830 41.296 42.059 0.113 0.000 0.899 303 L HN 0.050 nan 8.230 nan 0.000 0.433 304 E N 0.137 120.345 120.200 0.013 0.000 2.047 304 E HA -0.194 4.156 4.350 0.000 0.000 0.191 304 E C 2.352 178.923 176.600 -0.048 0.000 0.987 304 E CA 1.100 57.490 56.400 -0.017 0.000 0.799 304 E CB -0.166 29.526 29.700 -0.013 0.000 0.752 304 E HN 0.490 nan 8.360 nan 0.000 0.449 305 A N 1.541 124.335 122.820 -0.043 0.000 1.902 305 A HA -0.139 4.181 4.320 0.000 0.000 0.217 305 A C 2.384 179.938 177.584 -0.051 0.000 1.181 305 A CA 1.756 53.760 52.037 -0.055 0.000 0.623 305 A CB -0.623 18.351 19.000 -0.044 0.000 0.818 305 A HN 0.294 nan 8.150 nan 0.000 0.443 306 A N 0.547 123.349 122.820 -0.030 0.000 1.930 306 A HA -0.146 4.174 4.320 0.000 0.000 0.217 306 A C 2.199 179.764 177.584 -0.031 0.000 1.175 306 A CA 1.643 53.666 52.037 -0.023 0.000 0.627 306 A CB -0.425 18.573 19.000 -0.003 0.000 0.815 306 A HN 0.720 nan 8.150 nan 0.000 0.443 307 R N -0.696 119.784 120.500 -0.034 0.000 2.280 307 R HA 0.449 4.789 4.340 0.000 0.000 0.195 307 R C 0.827 177.077 176.300 -0.084 0.000 0.935 307 R CA 0.574 56.651 56.100 -0.038 0.000 1.033 307 R CB -0.489 29.806 30.300 -0.009 0.000 0.964 307 R HN 0.260 nan 8.270 nan 0.000 0.489 308 A N 3.261 126.009 122.820 -0.121 0.000 2.566 308 A HA 0.135 4.455 4.320 0.000 0.000 0.245 308 A C -1.572 175.889 177.584 -0.207 0.000 1.056 308 A CA -1.051 50.869 52.037 -0.196 0.000 0.757 308 A CB 0.134 19.006 19.000 -0.213 0.000 0.979 308 A HN 0.284 nan 8.150 nan 0.000 0.508 309 P HA 0.069 nan 4.420 nan 0.000 0.245 309 P C -0.176 176.957 177.300 -0.279 0.000 1.212 309 P CA 0.712 63.590 63.100 -0.370 0.000 0.774 309 P CB -0.070 31.135 31.700 -0.825 0.000 0.999 310 M N -2.846 116.619 119.600 -0.226 0.000 2.603 310 M HA 0.633 5.113 4.480 0.000 0.000 0.275 310 M C -0.496 175.737 176.300 -0.112 0.000 1.226 310 M CA -0.244 54.983 55.300 -0.121 0.000 0.870 310 M CB 1.283 33.844 32.600 -0.066 0.000 1.716 310 M HN 0.043 nan 8.290 nan 0.000 0.482 311 G N 1.774 110.536 108.800 -0.065 0.000 2.746 311 G HA2 -0.024 3.937 3.960 0.000 0.000 0.685 311 G HA3 -0.024 3.937 3.960 0.000 0.000 0.685 311 G C -1.510 173.357 174.900 -0.056 0.000 1.350 311 G CA -0.354 44.711 45.100 -0.057 0.000 0.837 311 G HN 0.987 nan 8.290 nan 0.000 0.564 312 D N 0.076 120.450 120.400 -0.043 0.000 2.354 312 D HA 0.735 5.375 4.640 0.000 0.000 0.247 312 D C 0.735 177.005 176.300 -0.050 0.000 1.138 312 D CA 1.082 55.059 54.000 -0.039 0.000 0.958 312 D CB 1.564 42.349 40.800 -0.025 0.000 1.144 312 D HN 1.311 nan 8.370 nan 0.000 0.458 313 A N 0.570 123.363 122.820 -0.045 0.000 2.572 313 A HA 0.718 5.038 4.320 0.000 0.000 0.295 313 A C -1.194 176.368 177.584 -0.036 0.000 1.072 313 A CA -0.608 51.400 52.037 -0.049 0.000 0.691 313 A CB 1.116 20.081 19.000 -0.060 0.000 1.291 313 A HN 0.444 nan 8.150 nan 0.000 0.404 314 I N 1.302 121.851 120.570 -0.035 0.000 2.478 314 I HA 0.381 4.551 4.170 0.000 0.000 0.287 314 I C -0.869 175.229 176.117 -0.032 0.000 1.042 314 I CA -0.833 60.450 61.300 -0.029 0.000 1.067 314 I CB 2.250 40.236 38.000 -0.022 0.000 1.233 314 I HN 0.316 nan 8.210 nan 0.000 0.431 315 V N 5.960 125.855 119.914 -0.032 0.000 2.348 315 V HA 0.854 4.974 4.120 0.000 0.000 0.270 315 V C 0.303 176.375 176.094 -0.037 0.000 1.037 315 V CA -0.038 62.239 62.300 -0.038 0.000 0.872 315 V CB 0.554 32.354 31.823 -0.038 0.000 1.002 315 V HN 0.894 nan 8.190 nan 0.000 0.464 316 A N 3.739 126.535 122.820 -0.040 0.000 2.536 316 A HA 0.613 4.933 4.320 0.000 0.000 0.293 316 A C -1.184 176.376 177.584 -0.040 0.000 1.119 316 A CA -0.766 51.249 52.037 -0.036 0.000 0.654 316 A CB 0.963 19.948 19.000 -0.025 0.000 1.291 316 A HN 0.692 nan 8.150 nan 0.000 0.439 317 D N 0.008 120.388 120.400 -0.033 0.000 2.390 317 D HA 0.341 4.981 4.640 0.000 0.000 0.249 317 D C 1.054 177.343 176.300 -0.019 0.000 1.144 317 D CA -0.405 53.577 54.000 -0.030 0.000 0.880 317 D CB 0.372 41.159 40.800 -0.021 0.000 1.182 317 D HN 0.271 nan 8.370 nan 0.000 0.451 318 I N 3.701 124.260 120.570 -0.018 0.000 2.252 318 I HA -0.037 4.133 4.170 0.000 0.000 0.245 318 I C 2.348 178.468 176.117 0.005 0.000 1.102 318 I CA 1.060 62.358 61.300 -0.003 0.000 1.385 318 I CB -1.670 36.332 38.000 0.004 0.000 1.064 318 I HN 0.690 nan 8.210 nan 0.000 0.414 319 G N 0.848 109.651 108.800 0.006 0.000 2.446 319 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 319 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 319 G C 1.864 176.769 174.900 0.008 0.000 1.168 319 G CA 1.176 46.281 45.100 0.010 0.000 0.771 319 G HN 0.485 nan 8.290 nan 0.000 0.551 320 A N 0.286 123.108 122.820 0.004 0.000 1.902 320 A HA 0.029 4.349 4.320 0.000 0.000 0.217 320 A C 2.447 180.033 177.584 0.004 0.000 1.181 320 A CA 2.024 54.064 52.037 0.004 0.000 0.623 320 A CB -0.325 18.676 19.000 0.001 0.000 0.818 320 A HN 0.306 nan 8.150 nan 0.000 0.443 321 M N -0.598 119.003 119.600 0.002 0.000 2.200 321 M HA -0.041 4.439 4.480 0.000 0.000 0.265 321 M C 2.527 178.832 176.300 0.008 0.000 1.066 321 M CA 1.450 56.752 55.300 0.003 0.000 1.127 321 M CB -1.419 31.180 32.600 -0.001 0.000 1.379 321 M HN 0.491 nan 8.290 nan 0.000 0.420 322 A N -0.513 122.315 122.820 0.012 0.000 1.902 322 A HA -0.163 4.157 4.320 0.000 0.000 0.217 322 A C 2.486 180.080 177.584 0.017 0.000 1.181 322 A CA 2.314 54.363 52.037 0.019 0.000 0.623 322 A CB -0.962 18.053 19.000 0.025 0.000 0.818 322 A HN 0.485 nan 8.150 nan 0.000 0.443 323 S N -0.465 115.243 115.700 0.013 0.000 2.356 323 S HA -0.047 4.423 4.470 0.000 0.000 0.223 323 S C 2.214 176.820 174.600 0.011 0.000 1.032 323 S CA 1.663 59.870 58.200 0.011 0.000 1.005 323 S CB -0.535 62.670 63.200 0.009 0.000 0.867 323 S HN 0.835 nan 8.310 nan 0.000 0.449 324 A N 1.505 124.330 122.820 0.009 0.000 1.883 324 A HA 0.013 4.333 4.320 0.000 0.000 0.217 324 A C 2.259 179.849 177.584 0.010 0.000 1.186 324 A CA 1.631 53.673 52.037 0.008 0.000 0.624 324 A CB -0.945 18.059 19.000 0.006 0.000 0.822 324 A HN 0.578 nan 8.150 nan 0.000 0.444 325 L N -0.791 120.439 121.223 0.011 0.000 2.046 325 L HA -0.197 4.143 4.340 0.000 0.000 0.208 325 L C 3.100 179.980 176.870 0.017 0.000 1.077 325 L CA 1.092 55.940 54.840 0.014 0.000 0.747 325 L CB -0.582 41.486 42.059 0.015 0.000 0.896 325 L HN 0.437 nan 8.230 nan 0.000 0.432 326 A N -0.054 122.777 122.820 0.019 0.000 1.978 326 A HA -0.205 4.115 4.320 0.000 0.000 0.220 326 A C 2.009 179.604 177.584 0.018 0.000 1.170 326 A CA 1.856 53.906 52.037 0.022 0.000 0.636 326 A CB -0.502 18.511 19.000 0.022 0.000 0.810 326 A HN 0.492 nan 8.150 nan 0.000 0.448 327 N N -0.825 117.884 118.700 0.014 0.000 2.424 327 N HA 0.120 4.860 4.740 0.000 0.000 0.178 327 N C 1.347 176.864 175.510 0.012 0.000 1.060 327 N CA 0.623 53.681 53.050 0.012 0.000 0.901 327 N CB 0.154 38.647 38.487 0.010 0.000 0.979 327 N HN 0.475 nan 8.380 nan 0.000 0.451 328 L N 0.694 121.925 121.223 0.012 0.000 2.470 328 L HA 0.136 4.476 4.340 0.000 0.000 0.219 328 L C 0.780 177.658 176.870 0.013 0.000 1.071 328 L CA 0.009 54.856 54.840 0.011 0.000 0.850 328 L CB 0.123 42.188 42.059 0.010 0.000 1.040 328 L HN -0.103 nan 8.230 nan 0.000 0.475 329 V N -1.378 118.545 119.914 0.015 0.000 2.811 329 V HA 0.135 4.255 4.120 0.000 0.000 0.302 329 V C 0.232 176.337 176.094 0.018 0.000 1.063 329 V CA -0.905 61.405 62.300 0.017 0.000 1.088 329 V CB 0.465 32.300 31.823 0.020 0.000 0.982 329 V HN 0.161 nan 8.190 nan 0.000 0.485 330 E N 1.538 121.748 120.200 0.018 0.000 2.392 330 E HA 0.214 4.564 4.350 0.000 0.000 0.259 330 E C -0.288 176.324 176.600 0.021 0.000 1.108 330 E CA -0.354 56.056 56.400 0.017 0.000 0.916 330 E CB 0.724 30.434 29.700 0.016 0.000 0.989 330 E HN 0.894 nan 8.360 nan 0.000 0.432 331 E N 1.534 121.746 120.200 0.020 0.000 2.217 331 E HA 0.019 4.370 4.350 0.000 0.000 0.279 331 E C -0.716 175.897 176.600 0.022 0.000 1.068 331 E CA -0.022 56.392 56.400 0.023 0.000 0.882 331 E CB 0.647 30.359 29.700 0.021 0.000 1.039 331 E HN 0.310 nan 8.360 nan 0.000 0.418 332 S N 3.005 118.720 115.700 0.026 0.000 2.576 332 S HA 0.068 4.538 4.470 0.000 0.000 0.276 332 S C 0.870 175.484 174.600 0.023 0.000 1.339 332 S CA 0.076 58.292 58.200 0.025 0.000 1.039 332 S CB 0.511 63.729 63.200 0.030 0.000 0.902 332 S HN 0.617 nan 8.310 nan 0.000 0.516 333 S N 3.831 119.543 115.700 0.020 0.000 2.593 333 S HA 0.213 4.683 4.470 0.000 0.000 0.217 333 S C 0.709 175.320 174.600 0.018 0.000 0.966 333 S CA -0.324 57.886 58.200 0.018 0.000 0.914 333 S CB -0.113 63.096 63.200 0.014 0.000 0.776 333 S HN 0.666 nan 8.310 nan 0.000 0.523 334 R N 1.284 121.797 120.500 0.022 0.000 2.652 334 R HA 0.331 4.671 4.340 0.000 0.000 0.271 334 R C -0.130 176.184 176.300 0.023 0.000 1.129 334 R CA -0.290 55.825 56.100 0.023 0.000 1.200 334 R CB 0.274 30.592 30.300 0.030 0.000 1.146 334 R HN 0.424 nan 8.270 nan 0.000 0.581 335 Q N 0.847 120.660 119.800 0.022 0.000 2.259 335 Q HA 0.224 4.564 4.340 0.000 0.000 0.249 335 Q C -0.660 175.355 176.000 0.025 0.000 0.914 335 Q CA -0.660 55.155 55.803 0.020 0.000 0.904 335 Q CB 0.985 29.731 28.738 0.014 0.000 1.213 335 Q HN 0.256 nan 8.270 nan 0.000 0.428 336 L N 3.768 125.005 121.223 0.024 0.000 2.490 336 L HA 0.177 4.517 4.340 0.000 0.000 0.274 336 L C -2.227 174.657 176.870 0.022 0.000 1.201 336 L CA -1.138 53.720 54.840 0.031 0.000 0.869 336 L CB 0.189 42.264 42.059 0.027 0.000 1.123 336 L HN 0.474 nan 8.230 nan 0.000 0.484 337 P HA 0.035 nan 4.420 nan 0.000 0.266 337 P C -0.992 176.308 177.300 -0.000 0.000 1.193 337 P CA 0.056 63.161 63.100 0.009 0.000 0.770 337 P CB 0.192 31.889 31.700 -0.004 0.000 0.836 338 T N 1.760 116.310 114.554 -0.008 0.000 2.884 338 T HA 0.395 4.745 4.350 0.000 0.000 0.298 338 T C 0.488 175.179 174.700 -0.015 0.000 0.998 338 T CA -0.385 61.708 62.100 -0.012 0.000 1.124 338 T CB 0.491 69.353 68.868 -0.010 0.000 0.931 338 T HN 0.453 nan 8.240 nan 0.000 0.531 339 A N 2.603 125.416 122.820 -0.013 0.000 2.483 339 A HA 0.555 4.875 4.320 0.000 0.000 0.238 339 A C 0.906 178.488 177.584 -0.004 0.000 1.070 339 A CA -0.504 51.532 52.037 -0.002 0.000 0.770 339 A CB -0.285 18.713 19.000 -0.003 0.000 1.008 339 A HN 1.132 nan 8.150 nan 0.000 0.497 340 A N 3.595 126.415 122.820 0.000 0.000 2.498 340 A HA 0.503 4.824 4.320 0.000 0.000 0.239 340 A C -1.606 175.982 177.584 0.007 0.000 1.068 340 A CA -0.750 51.282 52.037 -0.007 0.000 0.766 340 A CB -0.755 18.238 19.000 -0.011 0.000 1.003 340 A HN 0.749 nan 8.150 nan 0.000 0.497 341 P HA 0.191 nan 4.420 nan 0.000 0.272 341 P C -0.350 176.958 177.300 0.013 0.000 1.230 341 P CA -0.404 62.700 63.100 0.006 0.000 0.788 341 P CB 0.390 32.092 31.700 0.003 0.000 0.949 342 E N 1.695 121.904 120.200 0.014 0.000 2.413 342 E HA 0.117 4.467 4.350 0.000 0.000 0.263 342 E C -1.660 174.950 176.600 0.018 0.000 1.015 342 E CA -1.028 55.383 56.400 0.018 0.000 0.916 342 E CB -0.595 29.115 29.700 0.016 0.000 0.947 342 E HN 0.408 nan 8.360 nan 0.000 0.440 343 P HA 0.132 nan 4.420 nan 0.000 0.272 343 P C -0.746 176.566 177.300 0.019 0.000 1.223 343 P CA -0.343 62.770 63.100 0.021 0.000 0.784 343 P CB 0.591 32.308 31.700 0.029 0.000 0.923 344 A N 2.075 124.904 122.820 0.015 0.000 2.386 344 A HA 0.211 4.531 4.320 0.000 0.000 0.248 344 A C 0.433 178.025 177.584 0.012 0.000 1.082 344 A CA -0.438 51.605 52.037 0.011 0.000 0.789 344 A CB -0.026 18.976 19.000 0.005 0.000 1.025 344 A HN 0.591 nan 8.150 nan 0.000 0.490 345 K N 1.778 122.184 120.400 0.010 0.000 2.276 345 K HA 0.410 4.730 4.320 0.000 0.000 0.285 345 K C -0.108 176.487 176.600 -0.007 0.000 1.062 345 K CA -0.437 55.855 56.287 0.009 0.000 0.918 345 K CB 0.490 32.998 32.500 0.013 0.000 1.055 345 K HN 0.666 nan 8.250 nan 0.000 0.477 346 V N 1.227 121.128 119.914 -0.022 0.000 2.834 346 V HA 0.232 4.352 4.120 0.000 0.000 0.301 346 V C -0.202 175.848 176.094 -0.073 0.000 1.066 346 V CA -0.782 61.474 62.300 -0.073 0.000 1.052 346 V CB 1.077 32.813 31.823 -0.144 0.000 1.021 346 V HN 0.696 nan 8.190 nan 0.000 0.480 347 D N 2.692 123.039 120.400 -0.089 0.000 2.443 347 D HA 0.367 5.007 4.640 0.000 0.000 0.239 347 D C -0.181 176.115 176.300 -0.006 0.000 1.136 347 D CA 0.672 54.649 54.000 -0.037 0.000 0.879 347 D CB 1.171 41.958 40.800 -0.023 0.000 1.195 347 D HN 0.806 nan 8.370 nan 0.000 0.443 348 Q N 1.925 121.767 119.800 0.070 0.000 2.269 348 Q HA 0.241 4.581 4.340 0.000 0.000 0.263 348 Q C -1.448 174.613 176.000 0.101 0.000 0.983 348 Q CA -0.779 55.117 55.803 0.155 0.000 0.777 348 Q CB 1.222 30.044 28.738 0.141 0.000 1.273 348 Q HN 0.377 nan 8.270 nan 0.000 0.440 349 D N 2.096 122.559 120.400 0.104 0.000 2.478 349 D HA 0.370 5.010 4.640 0.000 0.000 0.274 349 D C 0.140 176.464 176.300 0.040 0.000 1.234 349 D CA -0.107 53.929 54.000 0.060 0.000 1.069 349 D CB 0.449 41.282 40.800 0.055 0.000 1.113 349 D HN 0.481 nan 8.370 nan 0.000 0.571 350 A N -1.099 121.737 122.820 0.027 0.000 2.276 350 A HA 0.468 4.788 4.320 0.000 0.000 0.212 350 A C 0.981 178.570 177.584 0.008 0.000 1.230 350 A CA 0.519 52.567 52.037 0.017 0.000 0.844 350 A CB -1.055 17.954 19.000 0.016 0.000 0.860 350 A HN 0.565 nan 8.150 nan 0.000 0.486 351 G N -0.654 108.147 108.800 0.001 0.000 3.099 351 G HA2 0.440 4.400 3.960 0.000 0.000 0.151 351 G HA3 0.440 4.400 3.960 0.000 0.000 0.151 351 G C -0.057 174.822 174.900 -0.035 0.000 1.265 351 G CA -0.988 44.105 45.100 -0.013 0.000 0.981 351 G HN 0.398 nan 8.290 nan 0.000 0.601 352 R N -0.189 120.276 120.500 -0.057 0.000 2.698 352 R HA 0.159 4.499 4.340 0.000 0.000 0.266 352 R C -0.406 175.808 176.300 -0.144 0.000 1.026 352 R CA -0.360 55.690 56.100 -0.084 0.000 1.102 352 R CB 0.258 30.508 30.300 -0.082 0.000 0.978 352 R HN 0.083 nan 8.270 nan 0.000 0.436 353 L N 3.950 125.102 121.223 -0.118 0.000 2.331 353 L HA 0.153 4.493 4.340 0.000 0.000 0.278 353 L C 0.738 177.509 176.870 -0.165 0.000 1.106 353 L CA 0.179 54.953 54.840 -0.110 0.000 0.824 353 L CB 0.582 42.601 42.059 -0.067 0.000 1.142 353 L HN 0.491 nan 8.230 nan 0.000 0.443 354 H N 4.724 123.788 119.070 -0.010 0.000 2.732 354 H HA 0.081 4.637 4.556 0.000 0.000 0.351 354 H C -1.423 173.882 175.328 -0.038 0.000 1.090 354 H CA -1.364 54.684 56.048 -0.001 0.000 1.431 354 H CB 0.886 30.659 29.762 0.019 0.000 1.447 354 H HN 0.342 nan 8.280 nan 0.000 0.582 355 P HA -0.189 nan 4.420 nan 0.000 0.216 355 P C 1.106 178.380 177.300 -0.044 0.000 1.154 355 P CA 1.467 64.537 63.100 -0.051 0.000 0.865 355 P CB 0.385 32.154 31.700 0.116 0.000 0.789 356 E N -1.146 119.144 120.200 0.151 0.000 2.097 356 E HA -0.167 4.183 4.350 0.000 0.000 0.196 356 E C 1.957 178.618 176.600 0.101 0.000 1.000 356 E CA 1.927 58.435 56.400 0.181 0.000 0.804 356 E CB -1.387 28.387 29.700 0.123 0.000 0.740 356 E HN 0.277 nan 8.360 nan 0.000 0.454 357 T N 0.212 114.806 114.554 0.067 0.000 2.746 357 T HA -0.134 4.217 4.350 0.000 0.000 0.267 357 T C 2.024 176.706 174.700 -0.031 0.000 1.039 357 T CA 1.267 63.388 62.100 0.036 0.000 1.142 357 T CB -0.347 68.557 68.868 0.060 0.000 0.866 357 T HN -0.018 nan 8.240 nan 0.000 0.444 358 V N 1.016 120.841 119.914 -0.148 0.000 2.287 358 V HA -0.150 3.970 4.120 0.000 0.000 0.248 358 V C 2.183 178.138 176.094 -0.233 0.000 1.053 358 V CA 1.699 63.843 62.300 -0.258 0.000 1.027 358 V CB -0.869 30.686 31.823 -0.446 0.000 0.646 358 V HN 0.377 nan 8.190 nan 0.000 0.447 359 F N 0.556 120.514 119.950 0.013 0.000 2.186 359 F HA -0.097 4.430 4.527 0.000 0.000 0.299 359 F C 2.253 178.042 175.800 -0.018 0.000 1.090 359 F CA 1.284 59.270 58.000 -0.024 0.000 1.307 359 F CB -0.932 38.041 39.000 -0.045 0.000 1.019 359 F HN 0.195 nan 8.300 nan 0.000 0.489 360 D N -0.357 120.130 120.400 0.145 0.000 2.117 360 D HA -0.123 4.517 4.640 0.000 0.000 0.197 360 D C 2.302 178.643 176.300 0.067 0.000 0.987 360 D CA 1.841 55.895 54.000 0.091 0.000 0.829 360 D CB -0.759 40.082 40.800 0.069 0.000 0.961 360 D HN 0.175 nan 8.370 nan 0.000 0.460 361 T N 1.060 115.644 114.554 0.049 0.000 2.708 361 T HA -0.083 4.267 4.350 0.000 0.000 0.266 361 T C 2.248 176.985 174.700 0.062 0.000 1.037 361 T CA 0.581 62.706 62.100 0.041 0.000 1.146 361 T CB -0.381 68.498 68.868 0.019 0.000 0.865 361 T HN 0.108 nan 8.240 nan 0.000 0.435 362 L N 1.407 122.679 121.223 0.082 0.000 2.013 362 L HA -0.175 4.165 4.340 0.000 0.000 0.212 362 L C 2.756 179.717 176.870 0.152 0.000 1.073 362 L CA 1.367 56.292 54.840 0.141 0.000 0.753 362 L CB -0.668 41.514 42.059 0.206 0.000 0.890 362 L HN 0.390 nan 8.230 nan 0.000 0.432 363 N N -0.172 118.599 118.700 0.118 0.000 2.166 363 N HA -0.210 4.530 4.740 0.000 0.000 0.186 363 N C 1.302 176.858 175.510 0.078 0.000 1.019 363 N CA 1.552 54.660 53.050 0.097 0.000 0.856 363 N CB 0.061 38.583 38.487 0.058 0.000 0.993 363 N HN 0.316 nan 8.380 nan 0.000 0.426 364 D N 0.162 120.601 120.400 0.064 0.000 2.178 364 D HA -0.065 4.575 4.640 0.000 0.000 0.202 364 D C 1.732 178.059 176.300 0.045 0.000 0.974 364 D CA 0.990 55.019 54.000 0.047 0.000 0.841 364 D CB 0.057 40.880 40.800 0.039 0.000 0.953 364 D HN 0.440 nan 8.370 nan 0.000 0.478 365 M N -0.209 119.424 119.600 0.055 0.000 2.571 365 M HA 0.216 4.696 4.480 0.000 0.000 0.259 365 M C 0.846 177.172 176.300 0.043 0.000 1.205 365 M CA -0.078 55.249 55.300 0.044 0.000 1.138 365 M CB 0.678 33.303 32.600 0.042 0.000 1.329 365 M HN -0.190 nan 8.290 nan 0.000 0.503 366 A N 2.355 125.216 122.820 0.068 0.000 2.386 366 A HA 0.430 4.750 4.320 0.000 0.000 0.248 366 A C -2.136 175.462 177.584 0.023 0.000 1.082 366 A CA -1.149 50.918 52.037 0.050 0.000 0.789 366 A CB -0.675 18.388 19.000 0.106 0.000 1.025 366 A HN 0.109 nan 8.150 nan 0.000 0.490 367 P HA 0.068 nan 4.420 nan 0.000 0.269 367 P C 0.163 177.454 177.300 -0.016 0.000 1.215 367 P CA 0.090 63.178 63.100 -0.020 0.000 0.780 367 P CB 0.534 32.209 31.700 -0.041 0.000 0.898 368 E N 1.773 121.967 120.200 -0.009 0.000 2.265 368 E HA -0.219 4.131 4.350 0.000 0.000 0.196 368 E C 0.848 177.436 176.600 -0.020 0.000 0.996 368 E CA 1.342 57.739 56.400 -0.005 0.000 0.832 368 E CB -0.816 28.878 29.700 -0.009 0.000 0.756 368 E HN 0.406 nan 8.360 nan 0.000 0.491 369 N N 0.878 119.555 118.700 -0.038 0.000 2.273 369 N HA 0.196 4.936 4.740 0.000 0.000 0.231 369 N C -0.186 175.270 175.510 -0.090 0.000 1.134 369 N CA 0.136 53.155 53.050 -0.051 0.000 0.856 369 N CB 0.123 38.585 38.487 -0.042 0.000 1.068 369 N HN 0.271 nan 8.380 nan 0.000 0.510 370 A N 0.787 123.523 122.820 -0.140 0.000 2.492 370 A HA 0.374 4.694 4.320 0.000 0.000 0.236 370 A C 0.097 177.491 177.584 -0.316 0.000 1.078 370 A CA 0.047 51.912 52.037 -0.287 0.000 0.773 370 A CB 0.020 18.735 19.000 -0.475 0.000 1.023 370 A HN 0.418 nan 8.150 nan 0.000 0.504 371 I N 0.793 121.159 120.570 -0.339 0.000 2.436 371 I HA 0.334 4.504 4.170 0.000 0.000 0.289 371 I C -1.264 174.696 176.117 -0.263 0.000 1.010 371 I CA -0.278 60.909 61.300 -0.188 0.000 1.098 371 I CB 1.448 39.437 38.000 -0.017 0.000 1.266 371 I HN 0.595 nan 8.210 nan 0.000 0.434 372 Y N 6.084 126.410 120.300 0.044 0.000 2.387 372 Y HA 0.632 5.182 4.550 0.000 0.000 0.336 372 Y C -0.406 175.501 175.900 0.013 0.000 1.067 372 Y CA -0.744 57.378 58.100 0.037 0.000 1.114 372 Y CB 1.483 39.977 38.460 0.056 0.000 1.208 372 Y HN 0.310 nan 8.280 nan 0.000 0.458 373 L N 2.781 124.102 121.223 0.163 0.000 2.362 373 L HA 0.460 4.800 4.340 0.000 0.000 0.271 373 L C -0.622 176.305 176.870 0.095 0.000 1.002 373 L CA -0.659 54.225 54.840 0.075 0.000 0.818 373 L CB 1.622 43.729 42.059 0.080 0.000 1.298 373 L HN 0.552 nan 8.230 nan 0.000 0.420 374 N N 1.475 120.210 118.700 0.057 0.000 2.443 374 N HA 0.307 5.047 4.740 0.000 0.000 0.269 374 N C -0.775 174.917 175.510 0.303 0.000 0.985 374 N CA -0.200 52.978 53.050 0.212 0.000 0.921 374 N CB 1.285 39.937 38.487 0.275 0.000 1.195 374 N HN 0.691 nan 8.380 nan 0.000 0.492 375 E N 1.788 122.142 120.200 0.256 0.000 3.843 375 E HA 0.137 4.487 4.350 0.000 0.000 0.189 375 E C -1.254 175.482 176.600 0.227 0.000 1.013 375 E CA -0.091 56.444 56.400 0.224 0.000 1.395 375 E CB 0.232 30.022 29.700 0.149 0.000 1.136 375 E HN 0.342 nan 8.360 nan 0.000 0.444 376 S N 0.308 116.169 115.700 0.268 0.000 2.475 376 S HA 0.098 4.568 4.470 0.000 0.000 0.249 376 S C 1.188 175.946 174.600 0.264 0.000 1.298 376 S CA -0.240 58.109 58.200 0.248 0.000 1.125 376 S CB 0.434 63.795 63.200 0.268 0.000 1.054 376 S HN 0.398 nan 8.310 nan 0.000 0.484 377 T N 0.678 115.382 114.554 0.250 0.000 2.995 377 T HA -0.092 4.258 4.350 0.000 0.000 0.269 377 T C 1.753 176.567 174.700 0.190 0.000 1.091 377 T CA 1.211 63.467 62.100 0.260 0.000 1.128 377 T CB -0.362 68.653 68.868 0.245 0.000 0.891 377 T HN 0.637 nan 8.240 nan 0.000 0.492 378 S N 1.377 117.176 115.700 0.165 0.000 2.575 378 S HA 0.052 4.522 4.470 0.000 0.000 0.215 378 S C 1.699 176.345 174.600 0.078 0.000 0.966 378 S CA 0.377 58.633 58.200 0.093 0.000 0.911 378 S CB -0.541 62.731 63.200 0.121 0.000 0.780 378 S HN 0.702 nan 8.310 nan 0.000 0.514 379 T N -3.002 111.643 114.554 0.150 0.000 3.084 379 T HA 0.228 4.578 4.350 0.000 0.000 0.270 379 T C 1.223 175.997 174.700 0.123 0.000 1.008 379 T CA 0.210 62.431 62.100 0.200 0.000 0.900 379 T CB -0.163 68.936 68.868 0.384 0.000 1.084 379 T HN 0.167 nan 8.240 nan 0.000 0.538 380 T N 2.297 116.903 114.554 0.088 0.000 2.684 380 T HA -0.001 4.349 4.350 0.000 0.000 0.267 380 T C 2.413 177.146 174.700 0.055 0.000 1.036 380 T CA 1.567 63.711 62.100 0.074 0.000 1.148 380 T CB -0.696 68.215 68.868 0.072 0.000 0.863 380 T HN 0.621 nan 8.240 nan 0.000 0.436 381 A N 1.429 124.252 122.820 0.004 0.000 1.908 381 A HA -0.161 4.159 4.320 0.000 0.000 0.218 381 A C 2.393 179.976 177.584 -0.002 0.000 1.181 381 A CA 1.274 53.306 52.037 -0.009 0.000 0.627 381 A CB -0.530 18.436 19.000 -0.057 0.000 0.818 381 A HN 0.312 nan 8.150 nan 0.000 0.445 382 Q N -1.078 118.710 119.800 -0.020 0.000 2.119 382 Q HA -0.138 4.202 4.340 0.000 0.000 0.201 382 Q C 2.107 177.957 176.000 -0.249 0.000 0.972 382 Q CA 1.554 57.341 55.803 -0.027 0.000 0.847 382 Q CB -0.527 28.279 28.738 0.114 0.000 0.903 382 Q HN 0.811 nan 8.270 nan 0.000 0.433 383 M N -1.089 118.135 119.600 -0.626 0.000 2.082 383 M HA -0.228 4.253 4.480 0.000 0.000 0.258 383 M C 1.593 177.574 176.300 -0.532 0.000 1.069 383 M CA 1.790 56.435 55.300 -1.092 0.000 1.102 383 M CB -0.236 31.740 32.600 -1.039 0.000 1.336 383 M HN 0.215 nan 8.290 nan 0.000 0.404 384 W N 0.535 121.614 121.300 -0.369 0.000 2.374 384 W HA -0.182 4.479 4.660 0.000 0.000 0.288 384 W C 2.383 178.809 176.519 -0.154 0.000 1.218 384 W CA 1.387 58.572 57.345 -0.266 0.000 1.245 384 W CB -0.225 29.099 29.460 -0.228 0.000 1.126 384 W HN 0.360 nan 8.180 nan 0.000 0.545 385 Q N -0.711 119.132 119.800 0.071 0.000 2.230 385 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 385 Q C 1.932 177.941 176.000 0.015 0.000 0.963 385 Q CA 1.046 56.883 55.803 0.057 0.000 0.866 385 Q CB -0.096 28.663 28.738 0.034 0.000 0.931 385 Q HN 0.287 nan 8.270 nan 0.000 0.452 386 R N -0.652 119.817 120.500 -0.051 0.000 2.335 386 R HA 0.236 4.577 4.340 0.000 0.000 0.210 386 R C -0.162 176.100 176.300 -0.063 0.000 0.892 386 R CA -0.049 56.038 56.100 -0.023 0.000 1.048 386 R CB 0.697 31.026 30.300 0.049 0.000 1.067 386 R HN 0.079 nan 8.270 nan 0.000 0.524 387 L N 1.592 122.711 121.223 -0.173 0.000 2.272 387 L HA 0.277 4.617 4.340 0.000 0.000 0.289 387 L C -0.291 176.499 176.870 -0.133 0.000 1.032 387 L CA -0.482 54.231 54.840 -0.211 0.000 0.810 387 L CB 1.426 43.189 42.059 -0.492 0.000 1.205 387 L HN 0.095 nan 8.230 nan 0.000 0.422 388 N N 4.790 123.458 118.700 -0.054 0.000 2.402 388 N HA 0.272 5.012 4.740 0.000 0.000 0.252 388 N C -0.779 174.714 175.510 -0.029 0.000 1.118 388 N CA -0.363 52.665 53.050 -0.037 0.000 0.945 388 N CB 0.487 38.970 38.487 -0.008 0.000 1.147 388 N HN 0.559 nan 8.380 nan 0.000 0.495 389 M N 3.579 123.129 119.600 -0.083 0.000 2.060 389 M HA 0.230 4.710 4.480 0.000 0.000 0.342 389 M C 0.804 177.039 176.300 -0.107 0.000 1.031 389 M CA -0.412 54.847 55.300 -0.069 0.000 0.981 389 M CB 1.470 33.999 32.600 -0.118 0.000 1.376 389 M HN 0.461 nan 8.290 nan 0.000 0.397 390 R N 0.474 120.928 120.500 -0.076 0.000 2.200 390 R HA 0.140 4.480 4.340 0.000 0.000 0.208 390 R C 0.224 176.459 176.300 -0.108 0.000 1.033 390 R CA 0.672 56.713 56.100 -0.097 0.000 1.000 390 R CB 0.244 30.504 30.300 -0.066 0.000 0.906 390 R HN 0.595 nan 8.270 nan 0.000 0.462 391 N N 0.591 119.241 118.700 -0.083 0.000 2.362 391 N HA 0.326 5.066 4.740 0.000 0.000 0.299 391 N C -2.699 172.773 175.510 -0.063 0.000 1.170 391 N CA -1.752 51.256 53.050 -0.070 0.000 0.825 391 N CB 1.450 39.908 38.487 -0.047 0.000 1.299 391 N HN -0.241 nan 8.380 nan 0.000 0.502 392 P HA 0.112 nan 4.420 nan 0.000 0.271 392 P C 0.568 177.861 177.300 -0.012 0.000 1.233 392 P CA 0.327 63.409 63.100 -0.030 0.000 0.789 392 P CB 0.264 31.954 31.700 -0.017 0.000 0.951 393 G N 0.364 109.160 108.800 -0.005 0.000 2.249 393 G HA2 -0.262 3.699 3.960 0.000 0.000 0.273 393 G HA3 -0.262 3.699 3.960 0.000 0.000 0.273 393 G C 0.690 175.593 174.900 0.005 0.000 1.036 393 G CA 0.476 45.593 45.100 0.029 0.000 0.824 393 G HN 0.453 nan 8.290 nan 0.000 0.504 394 S N -1.569 114.096 115.700 -0.058 0.000 2.540 394 S HA 0.392 4.863 4.470 0.000 0.000 0.218 394 S C -0.031 174.601 174.600 0.053 0.000 0.977 394 S CA 0.310 58.509 58.200 -0.002 0.000 0.918 394 S CB 0.479 63.682 63.200 0.005 0.000 0.806 394 S HN 0.775 nan 8.310 nan 0.000 0.496 395 Y N 0.629 120.742 120.300 -0.312 0.000 2.482 395 Y HA 0.544 5.094 4.550 0.000 0.000 0.334 395 Y C -2.187 173.396 175.900 -0.529 0.000 1.091 395 Y CA -1.337 56.602 58.100 -0.267 0.000 1.027 395 Y CB 1.013 39.291 38.460 -0.304 0.000 1.306 395 Y HN 0.043 nan 8.280 nan 0.000 0.446 396 Y N 6.425 126.506 120.300 -0.364 0.000 2.457 396 Y HA 0.585 5.135 4.550 0.000 0.000 0.343 396 Y C -1.405 174.389 175.900 -0.177 0.000 0.994 396 Y CA -1.197 56.836 58.100 -0.111 0.000 1.031 396 Y CB 2.163 40.724 38.460 0.169 0.000 1.246 396 Y HN 0.595 nan 8.280 nan 0.000 0.449 397 F N 2.693 122.627 119.950 -0.027 0.000 2.591 397 F HA 0.587 5.114 4.527 0.000 0.000 0.309 397 F C -0.386 175.336 175.800 -0.130 0.000 1.098 397 F CA -1.720 56.283 58.000 0.005 0.000 0.937 397 F CB 0.974 40.027 39.000 0.088 0.000 1.250 397 F HN 0.739 nan 8.300 nan 0.000 0.447 398 C N 4.089 122.840 119.300 -0.916 0.000 2.409 398 C HA 0.436 4.896 4.460 0.000 0.000 0.398 398 C C 1.525 176.103 174.990 -0.688 0.000 1.507 398 C CA 0.026 58.446 59.018 -0.996 0.000 1.460 398 C CB -1.041 26.272 27.740 -0.712 0.000 2.472 398 C HN 1.024 nan 8.230 nan 0.000 0.614 399 A N 3.249 125.772 122.820 -0.496 0.000 2.014 399 A HA 0.327 4.648 4.320 0.000 0.000 0.218 399 A C 2.164 179.675 177.584 -0.123 0.000 1.163 399 A CA 1.393 53.317 52.037 -0.188 0.000 0.652 399 A CB -0.367 18.527 19.000 -0.177 0.000 0.808 399 A HN 1.581 nan 8.150 nan 0.000 0.449 400 A N -1.870 120.842 122.820 -0.180 0.000 2.465 400 A HA 0.467 4.787 4.320 0.000 0.000 0.255 400 A C 1.555 179.044 177.584 -0.158 0.000 1.274 400 A CA 0.907 52.874 52.037 -0.117 0.000 0.920 400 A CB -0.772 18.180 19.000 -0.079 0.000 1.033 400 A HN 1.734 nan 8.150 nan 0.000 0.516 401 G N -0.893 107.766 108.800 -0.235 0.000 2.168 401 G HA2 -0.109 3.851 3.960 0.000 0.000 0.257 401 G HA3 -0.109 3.851 3.960 0.000 0.000 0.257 401 G C 0.655 175.406 174.900 -0.250 0.000 0.997 401 G CA 0.287 45.236 45.100 -0.251 0.000 0.708 401 G HN 1.455 nan 8.290 nan 0.000 0.520 402 G N 0.003 108.654 108.800 -0.249 0.000 2.338 402 G HA2 0.584 4.544 3.960 0.000 0.000 0.295 402 G HA3 0.584 4.544 3.960 0.000 0.000 0.295 402 G C 0.469 175.221 174.900 -0.247 0.000 1.132 402 G CA -0.625 44.342 45.100 -0.221 0.000 0.922 402 G HN 0.571 nan 8.290 nan 0.000 0.427 403 L N 1.782 122.782 121.223 -0.372 0.000 2.452 403 L HA 0.470 4.810 4.340 0.000 0.000 0.267 403 L C 1.512 178.185 176.870 -0.328 0.000 1.188 403 L CA 0.692 55.275 54.840 -0.428 0.000 0.821 403 L CB 1.028 42.637 42.059 -0.751 0.000 1.102 403 L HN 0.834 nan 8.230 nan 0.000 0.470 404 G N 1.258 110.012 108.800 -0.077 0.000 2.179 404 G HA2 -0.313 3.647 3.960 0.000 0.000 0.220 404 G HA3 -0.313 3.647 3.960 0.000 0.000 0.220 404 G C 0.255 175.209 174.900 0.092 0.000 0.990 404 G CA 0.313 45.462 45.100 0.082 0.000 0.646 404 G HN 0.634 nan 8.290 nan 0.000 0.517 405 F N 1.694 121.605 119.950 -0.065 0.000 2.147 405 F HA 0.491 5.018 4.527 0.000 0.000 0.291 405 F C 2.503 178.287 175.800 -0.027 0.000 1.093 405 F CA 2.097 60.058 58.000 -0.065 0.000 1.263 405 F CB -0.434 38.495 39.000 -0.118 0.000 1.036 405 F HN 0.231 nan 8.300 nan 0.000 0.481 406 A N 0.795 123.561 122.820 -0.089 0.000 1.930 406 A HA -0.094 4.226 4.320 0.000 0.000 0.217 406 A C 2.273 179.779 177.584 -0.130 0.000 1.175 406 A CA 1.564 53.488 52.037 -0.188 0.000 0.627 406 A CB -1.211 17.834 19.000 0.076 0.000 0.815 406 A HN 0.580 nan 8.150 nan 0.000 0.443 407 L N 0.223 121.443 121.223 -0.004 0.000 1.961 407 L HA -0.076 4.264 4.340 0.000 0.000 0.210 407 L C -0.396 176.514 176.870 0.066 0.000 1.072 407 L CA 1.913 56.819 54.840 0.111 0.000 0.749 407 L CB -0.738 41.363 42.059 0.070 0.000 0.889 407 L HN 0.249 nan 8.230 nan 0.000 0.432 408 P HA -0.157 nan 4.420 nan 0.000 0.216 408 P C 1.302 178.487 177.300 -0.191 0.000 1.153 408 P CA 1.994 65.046 63.100 -0.080 0.000 0.848 408 P CB -0.123 31.526 31.700 -0.086 0.000 0.787 409 A N 0.718 123.284 122.820 -0.424 0.000 1.940 409 A HA -0.095 4.225 4.320 0.000 0.000 0.219 409 A C 2.493 179.859 177.584 -0.364 0.000 1.176 409 A CA 2.191 53.880 52.037 -0.579 0.000 0.631 409 A CB -1.545 16.610 19.000 -1.408 0.000 0.814 409 A HN 0.240 nan 8.150 nan 0.000 0.446 410 A N -0.121 122.550 122.820 -0.248 0.000 1.972 410 A HA -0.059 4.261 4.320 0.000 0.000 0.219 410 A C 2.070 179.583 177.584 -0.117 0.000 1.169 410 A CA 1.456 53.395 52.037 -0.164 0.000 0.635 410 A CB -0.561 18.363 19.000 -0.128 0.000 0.810 410 A HN 0.526 nan 8.150 nan 0.000 0.446 411 I N -0.523 120.025 120.570 -0.038 0.000 2.252 411 I HA -0.160 4.010 4.170 0.000 0.000 0.245 411 I C 2.674 178.787 176.117 -0.007 0.000 1.102 411 I CA 1.103 62.412 61.300 0.014 0.000 1.385 411 I CB -0.586 37.467 38.000 0.089 0.000 1.064 411 I HN 0.382 nan 8.210 nan 0.000 0.414 412 G N 0.519 109.288 108.800 -0.052 0.000 2.408 412 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 412 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 412 G C 1.720 176.637 174.900 0.028 0.000 1.150 412 G CA 0.665 45.765 45.100 -0.000 0.000 0.776 412 G HN 0.216 nan 8.290 nan 0.000 0.542 413 V N 0.644 120.495 119.914 -0.105 0.000 2.295 413 V HA -0.237 3.883 4.120 0.000 0.000 0.246 413 V C 2.777 178.840 176.094 -0.051 0.000 1.049 413 V CA 2.292 64.514 62.300 -0.131 0.000 1.024 413 V CB -0.486 31.208 31.823 -0.214 0.000 0.648 413 V HN 0.424 nan 8.190 nan 0.000 0.447 414 Q N -0.227 119.545 119.800 -0.046 0.000 2.124 414 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 414 Q C 1.936 177.948 176.000 0.020 0.000 0.977 414 Q CA 1.698 57.483 55.803 -0.030 0.000 0.850 414 Q CB -0.517 28.187 28.738 -0.056 0.000 0.901 414 Q HN 0.551 nan 8.270 nan 0.000 0.429 415 L N -0.153 121.113 121.223 0.072 0.000 2.083 415 L HA -0.011 4.329 4.340 0.000 0.000 0.209 415 L C 1.985 178.967 176.870 0.187 0.000 1.083 415 L CA 2.133 57.054 54.840 0.135 0.000 0.752 415 L CB -0.831 41.334 42.059 0.176 0.000 0.899 415 L HN 0.245 nan 8.230 nan 0.000 0.433 416 A N -1.724 121.194 122.820 0.163 0.000 2.016 416 A HA -0.003 4.317 4.320 0.000 0.000 0.217 416 A C 1.144 178.713 177.584 -0.025 0.000 1.162 416 A CA 0.915 52.954 52.037 0.003 0.000 0.662 416 A CB -0.165 18.696 19.000 -0.231 0.000 0.812 416 A HN 0.436 nan 8.150 nan 0.000 0.450 417 E N -0.539 119.656 120.200 -0.009 0.000 3.651 417 E HA 0.162 4.513 4.350 0.000 0.000 0.220 417 E C -2.194 174.399 176.600 -0.012 0.000 1.222 417 E CA -1.522 54.868 56.400 -0.017 0.000 1.114 417 E CB 0.866 30.553 29.700 -0.021 0.000 1.278 417 E HN 0.339 nan 8.360 nan 0.000 0.412 418 P HA -0.116 nan 4.420 nan 0.000 0.222 418 P C 0.717 178.009 177.300 -0.013 0.000 1.147 418 P CA 1.013 64.112 63.100 -0.002 0.000 0.790 418 P CB 0.563 32.268 31.700 0.008 0.000 0.780 419 E N -0.575 119.615 120.200 -0.016 0.000 2.474 419 E HA 0.102 4.452 4.350 0.000 0.000 0.195 419 E C 0.528 177.110 176.600 -0.030 0.000 1.039 419 E CA 0.109 56.497 56.400 -0.021 0.000 0.881 419 E CB 0.241 29.930 29.700 -0.017 0.000 0.970 419 E HN 0.389 nan 8.360 nan 0.000 0.486 420 R N 1.165 121.643 120.500 -0.037 0.000 2.437 420 R HA 0.243 4.583 4.340 0.000 0.000 0.310 420 R C -0.252 176.005 176.300 -0.072 0.000 0.955 420 R CA -0.784 55.284 56.100 -0.053 0.000 0.851 420 R CB 1.383 31.655 30.300 -0.047 0.000 1.161 420 R HN -0.145 nan 8.270 nan 0.000 0.446 421 Q N 2.459 122.203 119.800 -0.092 0.000 2.281 421 Q HA 0.125 4.465 4.340 0.000 0.000 0.267 421 Q C -0.881 175.022 176.000 -0.161 0.000 1.053 421 Q CA 0.054 55.789 55.803 -0.114 0.000 0.905 421 Q CB 0.976 29.649 28.738 -0.109 0.000 1.195 421 Q HN 0.382 nan 8.270 nan 0.000 0.398 422 V N 6.814 126.636 119.914 -0.153 0.000 2.498 422 V HA 0.370 4.490 4.120 0.000 0.000 0.279 422 V C 0.128 176.100 176.094 -0.205 0.000 1.048 422 V CA -0.319 61.876 62.300 -0.175 0.000 0.967 422 V CB 0.878 32.609 31.823 -0.152 0.000 0.988 422 V HN 0.724 nan 8.190 nan 0.000 0.473 423 I N 4.347 124.803 120.570 -0.190 0.000 2.468 423 I HA 0.581 4.751 4.170 0.000 0.000 0.284 423 I C 0.114 176.235 176.117 0.006 0.000 1.038 423 I CA -0.472 60.763 61.300 -0.109 0.000 1.083 423 I CB 1.699 39.665 38.000 -0.056 0.000 1.223 423 I HN 0.633 nan 8.210 nan 0.000 0.443 424 A N 6.689 129.484 122.820 -0.041 0.000 2.249 424 A HA 0.693 5.013 4.320 0.000 0.000 0.314 424 A C -0.383 177.282 177.584 0.134 0.000 1.290 424 A CA -0.437 51.632 52.037 0.053 0.000 0.893 424 A CB 0.685 19.698 19.000 0.022 0.000 1.165 424 A HN 0.454 nan 8.150 nan 0.000 0.530 425 V N 4.956 124.981 119.914 0.185 0.000 2.333 425 V HA 0.388 4.508 4.120 0.000 0.000 0.274 425 V C -0.228 175.979 176.094 0.188 0.000 1.028 425 V CA 0.102 62.521 62.300 0.198 0.000 0.851 425 V CB 0.165 32.161 31.823 0.290 0.000 1.000 425 V HN 0.718 nan 8.190 nan 0.000 0.456 426 I N 3.614 124.269 120.570 0.142 0.000 2.533 426 I HA 0.576 4.746 4.170 0.000 0.000 0.290 426 I C 0.889 177.051 176.117 0.076 0.000 1.056 426 I CA -0.488 60.890 61.300 0.129 0.000 1.057 426 I CB 2.084 40.162 38.000 0.129 0.000 1.240 426 I HN 0.650 nan 8.210 nan 0.000 0.423 427 G N 2.813 111.682 108.800 0.115 0.000 2.569 427 G HA2 0.072 4.033 3.960 0.000 0.000 0.249 427 G HA3 0.072 4.033 3.960 0.000 0.000 0.249 427 G C 0.814 175.742 174.900 0.047 0.000 1.216 427 G CA -0.228 44.929 45.100 0.096 0.000 0.845 427 G HN 0.822 nan 8.290 nan 0.000 0.568 428 D N 0.473 120.881 120.400 0.012 0.000 2.144 428 D HA -0.115 4.525 4.640 0.000 0.000 0.199 428 D C 2.157 178.628 176.300 0.284 0.000 0.984 428 D CA 1.455 55.475 54.000 0.034 0.000 0.834 428 D CB -0.869 40.020 40.800 0.148 0.000 0.955 428 D HN 0.469 nan 8.370 nan 0.000 0.465 429 G N 0.255 109.231 108.800 0.293 0.000 2.404 429 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 429 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 429 G C 1.860 177.084 174.900 0.539 0.000 1.174 429 G CA 0.935 46.307 45.100 0.455 0.000 0.780 429 G HN 0.351 nan 8.290 nan 0.000 0.537 430 S N 1.065 117.044 115.700 0.465 0.000 2.419 430 S HA 0.002 4.472 4.470 0.000 0.000 0.233 430 S C 2.703 177.548 174.600 0.408 0.000 1.016 430 S CA 1.030 59.499 58.200 0.449 0.000 0.974 430 S CB -0.276 63.072 63.200 0.246 0.000 0.786 430 S HN 0.574 nan 8.310 nan 0.000 0.492 431 A N 2.579 125.575 122.820 0.293 0.000 2.019 431 A HA -0.131 4.189 4.320 0.000 0.000 0.219 431 A C 1.855 179.597 177.584 0.263 0.000 1.164 431 A CA 1.302 53.483 52.037 0.240 0.000 0.644 431 A CB -0.456 18.662 19.000 0.196 0.000 0.805 431 A HN 0.509 nan 8.150 nan 0.000 0.449 432 N N -1.365 117.487 118.700 0.254 0.000 2.354 432 N HA -0.094 4.646 4.740 0.000 0.000 0.179 432 N C 1.358 176.904 175.510 0.060 0.000 1.021 432 N CA 1.134 54.252 53.050 0.113 0.000 0.887 432 N CB -0.394 38.093 38.487 -0.001 0.000 0.974 432 N HN 0.641 nan 8.380 nan 0.000 0.437 433 Y N 1.405 121.774 120.300 0.114 0.000 2.165 433 Y HA -0.048 4.502 4.550 0.000 0.000 0.286 433 Y C 1.536 177.471 175.900 0.057 0.000 1.155 433 Y CA 0.950 59.098 58.100 0.081 0.000 1.164 433 Y CB 0.001 38.504 38.460 0.071 0.000 0.978 433 Y HN -0.087 nan 8.280 nan 0.000 0.513 434 S N -0.680 115.140 115.700 0.199 0.000 2.668 434 S HA 0.143 4.613 4.470 0.000 0.000 0.244 434 S C 1.147 175.778 174.600 0.053 0.000 1.140 434 S CA -0.314 57.947 58.200 0.102 0.000 1.134 434 S CB -0.116 63.133 63.200 0.082 0.000 0.954 434 S HN 0.227 nan 8.310 nan 0.000 0.490 435 I N 2.757 123.370 120.570 0.073 0.000 2.264 435 I HA -0.185 3.985 4.170 0.000 0.000 0.248 435 I C 2.348 178.453 176.117 -0.020 0.000 1.111 435 I CA 1.740 63.084 61.300 0.074 0.000 1.382 435 I CB -0.230 37.859 38.000 0.147 0.000 1.060 435 I HN 0.471 nan 8.210 nan 0.000 0.418 436 S N 0.612 116.245 115.700 -0.112 0.000 2.500 436 S HA -0.053 4.417 4.470 0.000 0.000 0.239 436 S C 2.189 176.548 174.600 -0.401 0.000 0.989 436 S CA 0.639 58.531 58.200 -0.514 0.000 0.951 436 S CB -0.915 62.081 63.200 -0.339 0.000 0.759 436 S HN 0.488 nan 8.310 nan 0.000 0.523 437 A N 2.170 124.892 122.820 -0.162 0.000 2.024 437 A HA 0.057 4.377 4.320 0.000 0.000 0.220 437 A C 2.177 179.726 177.584 -0.058 0.000 1.164 437 A CA 1.360 53.357 52.037 -0.066 0.000 0.643 437 A CB -0.884 18.098 19.000 -0.030 0.000 0.806 437 A HN 0.586 nan 8.150 nan 0.000 0.451 438 L N -2.631 118.504 121.223 -0.145 0.000 2.089 438 L HA -0.264 4.076 4.340 0.000 0.000 0.213 438 L C 2.453 179.343 176.870 0.033 0.000 1.079 438 L CA 1.883 56.657 54.840 -0.109 0.000 0.758 438 L CB -0.536 41.479 42.059 -0.073 0.000 0.891 438 L HN 0.765 nan 8.230 nan 0.000 0.433 439 W N 0.892 122.060 121.300 -0.221 0.000 2.342 439 W HA -0.241 4.419 4.660 0.000 0.000 0.297 439 W C 2.538 179.070 176.519 0.022 0.000 1.213 439 W CA 2.221 59.517 57.345 -0.082 0.000 1.251 439 W CB -0.306 29.031 29.460 -0.205 0.000 1.136 439 W HN -0.007 nan 8.180 nan 0.000 0.526 440 T N 0.267 114.922 114.554 0.169 0.000 2.821 440 T HA -0.167 4.183 4.350 0.000 0.000 0.267 440 T C 1.954 176.725 174.700 0.117 0.000 1.046 440 T CA 1.800 63.997 62.100 0.162 0.000 1.139 440 T CB -0.862 68.146 68.868 0.233 0.000 0.871 440 T HN 0.246 nan 8.240 nan 0.000 0.454 441 A N 1.476 124.357 122.820 0.102 0.000 1.902 441 A HA 0.144 4.464 4.320 0.000 0.000 0.217 441 A C 2.630 180.237 177.584 0.039 0.000 1.181 441 A CA 1.830 53.940 52.037 0.123 0.000 0.623 441 A CB -1.082 18.060 19.000 0.236 0.000 0.818 441 A HN 0.504 nan 8.150 nan 0.000 0.443 442 A N -1.164 121.628 122.820 -0.046 0.000 1.858 442 A HA -0.174 4.146 4.320 0.000 0.000 0.216 442 A C 2.139 179.559 177.584 -0.273 0.000 1.190 442 A CA 1.633 53.592 52.037 -0.131 0.000 0.617 442 A CB -0.512 18.409 19.000 -0.132 0.000 0.827 442 A HN 0.476 nan 8.150 nan 0.000 0.443 443 Q N -1.308 118.172 119.800 -0.534 0.000 2.124 443 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 443 Q C 1.236 176.873 176.000 -0.605 0.000 0.977 443 Q CA 1.485 56.849 55.803 -0.732 0.000 0.850 443 Q CB -0.319 27.650 28.738 -1.281 0.000 0.901 443 Q HN 0.887 nan 8.270 nan 0.000 0.429 444 Y N 0.191 120.368 120.300 -0.205 0.000 2.468 444 Y HA 0.175 4.725 4.550 0.000 0.000 0.268 444 Y C 0.475 176.333 175.900 -0.069 0.000 1.177 444 Y CA -0.384 57.650 58.100 -0.110 0.000 1.265 444 Y CB -0.068 38.345 38.460 -0.078 0.000 1.103 444 Y HN 0.194 nan 8.280 nan 0.000 0.522 445 N N 1.487 120.195 118.700 0.014 0.000 2.705 445 N HA -0.227 4.513 4.740 0.000 0.000 0.255 445 N C -0.895 174.642 175.510 0.045 0.000 1.008 445 N CA 0.004 53.064 53.050 0.016 0.000 0.742 445 N CB -0.916 37.569 38.487 -0.005 0.000 0.906 445 N HN 0.326 nan 8.380 nan 0.000 0.541 446 I N 1.831 122.441 120.570 0.068 0.000 2.301 446 I HA 0.180 4.350 4.170 0.000 0.000 0.292 446 I C -1.519 174.621 176.117 0.038 0.000 1.046 446 I CA -1.731 59.603 61.300 0.057 0.000 1.282 446 I CB 1.173 39.216 38.000 0.073 0.000 1.409 446 I HN 0.027 nan 8.210 nan 0.000 0.484 447 P HA 0.080 nan 4.420 nan 0.000 0.235 447 P C -0.070 177.185 177.300 -0.076 0.000 1.725 447 P CA -0.265 62.826 63.100 -0.014 0.000 0.894 447 P CB -0.447 31.244 31.700 -0.014 0.000 1.704 448 T N 1.445 115.921 114.554 -0.129 0.000 2.940 448 T HA 0.143 4.493 4.350 0.000 0.000 0.309 448 T C 0.791 175.222 174.700 -0.447 0.000 1.056 448 T CA 0.579 62.469 62.100 -0.351 0.000 1.137 448 T CB 0.463 69.001 68.868 -0.550 0.000 0.976 448 T HN 0.094 nan 8.240 nan 0.000 0.547 449 I N 3.222 123.530 120.570 -0.437 0.000 2.336 449 I HA 0.345 4.515 4.170 0.000 0.000 0.292 449 I C -0.666 175.195 176.117 -0.426 0.000 0.991 449 I CA -0.578 60.545 61.300 -0.296 0.000 1.227 449 I CB 0.769 38.695 38.000 -0.124 0.000 1.366 449 I HN 0.498 nan 8.210 nan 0.000 0.466 450 F N 5.886 125.852 119.950 0.026 0.000 2.388 450 F HA 0.411 4.938 4.527 0.000 0.000 0.358 450 F C 0.030 175.841 175.800 0.019 0.000 1.122 450 F CA -0.870 57.146 58.000 0.027 0.000 1.056 450 F CB 1.306 40.324 39.000 0.031 0.000 1.155 450 F HN 0.015 nan 8.300 nan 0.000 0.461 451 V N 5.677 125.683 119.914 0.154 0.000 2.294 451 V HA 0.281 4.401 4.120 0.000 0.000 0.272 451 V C 0.033 176.153 176.094 0.044 0.000 1.027 451 V CA -0.621 61.729 62.300 0.083 0.000 0.823 451 V CB 0.663 32.525 31.823 0.065 0.000 1.030 451 V HN 0.432 nan 8.190 nan 0.000 0.457 452 I N 5.891 126.447 120.570 -0.023 0.000 2.352 452 I HA 0.285 4.455 4.170 0.000 0.000 0.290 452 I C 0.331 176.366 176.117 -0.137 0.000 1.036 452 I CA -0.205 61.002 61.300 -0.155 0.000 1.336 452 I CB 1.192 38.939 38.000 -0.421 0.000 1.407 452 I HN 0.445 nan 8.210 nan 0.000 0.497 453 M N 5.796 125.339 119.600 -0.095 0.000 2.319 453 M HA 0.135 4.615 4.480 0.000 0.000 0.343 453 M C 0.191 176.458 176.300 -0.056 0.000 1.364 453 M CA -0.135 55.132 55.300 -0.054 0.000 1.292 453 M CB -0.688 31.913 32.600 0.002 0.000 1.432 453 M HN 0.355 nan 8.290 nan 0.000 0.448 454 N N 3.666 122.333 118.700 -0.055 0.000 2.602 454 N HA 0.094 4.834 4.740 0.000 0.000 0.238 454 N C 0.294 175.826 175.510 0.035 0.000 1.084 454 N CA -0.050 52.999 53.050 -0.001 0.000 0.952 454 N CB 0.340 38.856 38.487 0.048 0.000 1.244 454 N HN 0.440 nan 8.380 nan 0.000 0.512 455 N N 2.267 120.997 118.700 0.051 0.000 2.236 455 N HA 0.137 4.877 4.740 0.000 0.000 0.196 455 N C 1.035 176.581 175.510 0.060 0.000 1.114 455 N CA 0.353 53.436 53.050 0.055 0.000 0.859 455 N CB -0.006 38.521 38.487 0.068 0.000 0.982 455 N HN 0.442 nan 8.380 nan 0.000 0.493 456 G N -1.428 107.412 108.800 0.067 0.000 2.162 456 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 456 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 456 G C 0.021 174.925 174.900 0.007 0.000 0.976 456 G CA 0.784 45.911 45.100 0.046 0.000 0.655 456 G HN 0.808 nan 8.290 nan 0.000 0.533 457 T N -1.758 112.808 114.554 0.019 0.000 2.802 457 T HA 0.518 4.868 4.350 0.000 0.000 0.311 457 T C -1.306 173.441 174.700 0.078 0.000 1.405 457 T CA -0.546 61.556 62.100 0.003 0.000 1.016 457 T CB 0.860 69.772 68.868 0.074 0.000 1.352 457 T HN 0.337 nan 8.240 nan 0.000 0.498 458 Y N 2.559 122.939 120.300 0.134 0.000 2.570 458 Y HA 0.322 4.872 4.550 0.000 0.000 0.336 458 Y C 1.657 177.655 175.900 0.163 0.000 1.284 458 Y CA -0.388 57.804 58.100 0.152 0.000 1.761 458 Y CB -0.187 38.362 38.460 0.148 0.000 1.724 458 Y HN 0.830 nan 8.280 nan 0.000 0.455 459 G N 1.345 110.325 108.800 0.300 0.000 2.446 459 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 459 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 459 G C 1.832 176.909 174.900 0.294 0.000 1.168 459 G CA 0.938 46.192 45.100 0.256 0.000 0.771 459 G HN 0.628 nan 8.290 nan 0.000 0.551 460 A N 0.305 123.293 122.820 0.279 0.000 1.933 460 A HA 0.098 4.418 4.320 0.000 0.000 0.218 460 A C 2.437 180.253 177.584 0.386 0.000 1.175 460 A CA 1.246 53.460 52.037 0.295 0.000 0.628 460 A CB -0.358 18.782 19.000 0.233 0.000 0.814 460 A HN 0.373 nan 8.150 nan 0.000 0.444 461 L N -1.300 120.109 121.223 0.309 0.000 2.027 461 L HA -0.161 4.179 4.340 0.000 0.000 0.206 461 L C 2.909 179.970 176.870 0.318 0.000 1.074 461 L CA 1.277 56.284 54.840 0.278 0.000 0.745 461 L CB -0.417 41.757 42.059 0.193 0.000 0.898 461 L HN 0.383 nan 8.230 nan 0.000 0.433 462 R N -1.124 119.555 120.500 0.297 0.000 2.091 462 R HA -0.261 4.079 4.340 0.000 0.000 0.238 462 R C 2.064 178.523 176.300 0.266 0.000 1.136 462 R CA 2.215 58.463 56.100 0.246 0.000 0.959 462 R CB -0.531 29.898 30.300 0.216 0.000 0.856 462 R HN 0.421 nan 8.270 nan 0.000 0.437 463 W N 0.455 121.850 121.300 0.159 0.000 2.355 463 W HA -0.205 4.455 4.660 0.000 0.000 0.309 463 W C 1.832 178.424 176.519 0.121 0.000 1.206 463 W CA 1.306 58.725 57.345 0.123 0.000 1.284 463 W CB -0.471 29.061 29.460 0.120 0.000 1.145 463 W HN -0.044 nan 8.180 nan 0.000 0.502 464 F N 0.679 120.859 119.950 0.383 0.000 2.095 464 F HA -0.214 4.314 4.527 0.000 0.000 0.298 464 F C 2.482 178.287 175.800 0.008 0.000 1.104 464 F CA 2.598 60.724 58.000 0.210 0.000 1.232 464 F CB -0.969 38.172 39.000 0.236 0.000 0.987 464 F HN -0.044 nan 8.300 nan 0.000 0.475 465 A N -0.152 122.820 122.820 0.253 0.000 1.902 465 A HA -0.093 4.227 4.320 0.000 0.000 0.217 465 A C 2.493 180.075 177.584 -0.004 0.000 1.181 465 A CA 1.719 53.835 52.037 0.131 0.000 0.623 465 A CB -1.718 17.359 19.000 0.127 0.000 0.818 465 A HN 0.452 nan 8.150 nan 0.000 0.443 466 G N -0.591 108.160 108.800 -0.081 0.000 2.440 466 G HA2 -0.128 3.832 3.960 0.000 0.000 0.218 466 G HA3 -0.128 3.832 3.960 0.000 0.000 0.218 466 G C 1.504 176.236 174.900 -0.279 0.000 1.154 466 G CA 1.239 46.234 45.100 -0.176 0.000 0.767 466 G HN 0.322 nan 8.290 nan 0.000 0.552 467 V N 0.954 120.597 119.914 -0.452 0.000 2.343 467 V HA -0.083 4.038 4.120 0.000 0.000 0.247 467 V C 2.700 178.640 176.094 -0.258 0.000 1.051 467 V CA 1.353 63.366 62.300 -0.478 0.000 1.036 467 V CB -0.294 31.082 31.823 -0.744 0.000 0.654 467 V HN 0.356 nan 8.190 nan 0.000 0.451 468 L N -0.484 120.641 121.223 -0.163 0.000 2.599 468 L HA 0.097 4.438 4.340 0.000 0.000 0.230 468 L C 0.986 177.830 176.870 -0.043 0.000 1.141 468 L CA 0.354 55.157 54.840 -0.061 0.000 0.877 468 L CB -0.594 41.484 42.059 0.033 0.000 1.009 468 L HN 0.406 nan 8.230 nan 0.000 0.447 469 E N -0.212 119.949 120.200 -0.066 0.000 2.403 469 E HA -0.233 4.117 4.350 0.000 0.000 0.241 469 E C 0.406 177.000 176.600 -0.009 0.000 1.201 469 E CA 0.388 56.762 56.400 -0.042 0.000 0.721 469 E CB -1.094 28.580 29.700 -0.044 0.000 1.245 469 E HN 0.511 nan 8.360 nan 0.000 0.392 470 A N 1.663 124.490 122.820 0.011 0.000 2.444 470 A HA 0.204 4.524 4.320 0.000 0.000 0.273 470 A C 0.600 178.202 177.584 0.031 0.000 1.136 470 A CA 0.062 52.118 52.037 0.032 0.000 0.799 470 A CB 0.394 19.430 19.000 0.061 0.000 1.081 470 A HN 0.141 nan 8.150 nan 0.000 0.509 471 E N 1.905 122.121 120.200 0.026 0.000 2.232 471 E HA 0.267 4.617 4.350 0.000 0.000 0.264 471 E C -0.273 176.345 176.600 0.030 0.000 0.973 471 E CA -1.006 55.408 56.400 0.025 0.000 0.849 471 E CB 0.632 30.341 29.700 0.016 0.000 1.198 471 E HN 0.654 nan 8.360 nan 0.000 0.407 472 N N -0.466 118.253 118.700 0.031 0.000 2.735 472 N HA -0.145 4.595 4.740 0.000 0.000 0.248 472 N C -0.777 174.756 175.510 0.040 0.000 1.083 472 N CA 0.464 53.534 53.050 0.032 0.000 0.703 472 N CB -1.344 37.159 38.487 0.026 0.000 1.005 472 N HN 0.163 nan 8.380 nan 0.000 0.550 473 V N 1.869 121.812 119.914 0.050 0.000 2.432 473 V HA 0.307 4.427 4.120 0.000 0.000 0.271 473 V C -0.914 175.220 176.094 0.065 0.000 1.046 473 V CA -0.946 61.389 62.300 0.060 0.000 0.945 473 V CB 1.152 33.020 31.823 0.074 0.000 0.992 473 V HN 0.122 nan 8.190 nan 0.000 0.471 474 P HA 0.420 nan 4.420 nan 0.000 0.278 474 P C 0.592 177.947 177.300 0.092 0.000 1.258 474 P CA 0.270 63.409 63.100 0.066 0.000 0.811 474 P CB 1.245 32.977 31.700 0.053 0.000 1.063 475 G N 0.293 109.151 108.800 0.097 0.000 2.137 475 G HA2 -0.216 3.744 3.960 0.000 0.000 0.237 475 G HA3 -0.216 3.744 3.960 0.000 0.000 0.237 475 G C 0.537 175.570 174.900 0.222 0.000 1.002 475 G CA 0.237 45.420 45.100 0.137 0.000 0.702 475 G HN 0.482 nan 8.290 nan 0.000 0.515 476 L N -0.563 120.769 121.223 0.182 0.000 2.509 476 L HA 0.255 4.595 4.340 0.000 0.000 0.222 476 L C 0.336 177.270 176.870 0.107 0.000 1.123 476 L CA 0.381 55.369 54.840 0.247 0.000 0.856 476 L CB -0.073 42.103 42.059 0.194 0.000 0.985 476 L HN 0.136 nan 8.230 nan 0.000 0.456 477 D N 0.311 120.709 120.400 -0.003 0.000 2.252 477 D HA 0.334 4.974 4.640 0.000 0.000 0.245 477 D C -0.010 176.177 176.300 -0.188 0.000 1.009 477 D CA -0.115 53.831 54.000 -0.090 0.000 0.870 477 D CB 3.120 43.907 40.800 -0.021 0.000 1.251 477 D HN -0.199 nan 8.370 nan 0.000 0.460 478 V N -0.864 118.915 119.914 -0.225 0.000 2.454 478 V HA 0.357 4.477 4.120 0.000 0.000 0.255 478 V C -2.490 173.546 176.094 -0.097 0.000 1.009 478 V CA -1.367 60.806 62.300 -0.212 0.000 1.149 478 V CB 0.358 31.973 31.823 -0.346 0.000 1.418 478 V HN 0.310 nan 8.190 nan 0.000 0.567 479 P HA 0.407 nan 4.420 nan 0.000 0.274 479 P C 0.861 178.129 177.300 -0.054 0.000 1.246 479 P CA 1.118 64.195 63.100 -0.038 0.000 0.795 479 P CB 1.310 32.994 31.700 -0.027 0.000 1.006 480 G N 0.520 109.291 108.800 -0.049 0.000 2.182 480 G HA2 -0.190 3.770 3.960 0.000 0.000 0.248 480 G HA3 -0.190 3.770 3.960 0.000 0.000 0.248 480 G C -0.126 174.700 174.900 -0.123 0.000 1.042 480 G CA -0.167 44.891 45.100 -0.070 0.000 0.775 480 G HN 0.495 nan 8.290 nan 0.000 0.501 481 I N 0.481 120.945 120.570 -0.176 0.000 2.354 481 I HA 0.335 4.505 4.170 0.000 0.000 0.292 481 I C -0.576 175.288 176.117 -0.421 0.000 0.989 481 I CA -0.807 60.265 61.300 -0.380 0.000 1.188 481 I CB 1.752 39.385 38.000 -0.613 0.000 1.342 481 I HN 0.022 nan 8.210 nan 0.000 0.457 482 D N 6.257 126.434 120.400 -0.372 0.000 2.473 482 D HA 0.225 4.865 4.640 0.000 0.000 0.226 482 D C 0.514 176.676 176.300 -0.230 0.000 1.089 482 D CA -0.371 53.507 54.000 -0.203 0.000 0.883 482 D CB 0.586 41.320 40.800 -0.110 0.000 1.029 482 D HN 0.294 nan 8.370 nan 0.000 0.517 483 F N 1.923 121.877 119.950 0.007 0.000 2.234 483 F HA 0.023 4.550 4.527 0.000 0.000 0.299 483 F C 2.411 178.220 175.800 0.015 0.000 1.087 483 F CA 0.566 58.575 58.000 0.014 0.000 1.340 483 F CB -0.020 38.995 39.000 0.026 0.000 1.031 483 F HN 0.246 nan 8.300 nan 0.000 0.500 484 R N 0.132 120.731 120.500 0.165 0.000 2.096 484 R HA -0.113 4.227 4.340 0.000 0.000 0.235 484 R C 2.444 178.773 176.300 0.049 0.000 1.127 484 R CA 1.164 57.323 56.100 0.099 0.000 0.968 484 R CB -0.742 29.604 30.300 0.076 0.000 0.861 484 R HN 0.297 nan 8.270 nan 0.000 0.440 485 A N 1.278 124.103 122.820 0.009 0.000 1.898 485 A HA -0.104 4.216 4.320 0.000 0.000 0.216 485 A C 2.186 179.743 177.584 -0.044 0.000 1.181 485 A CA 1.012 53.032 52.037 -0.028 0.000 0.620 485 A CB -0.467 18.499 19.000 -0.057 0.000 0.819 485 A HN 0.154 nan 8.150 nan 0.000 0.442 486 L N -0.662 120.537 121.223 -0.040 0.000 2.012 486 L HA -0.232 4.108 4.340 0.000 0.000 0.210 486 L C 3.126 180.016 176.870 0.033 0.000 1.073 486 L CA 1.175 55.999 54.840 -0.027 0.000 0.748 486 L CB -0.672 41.397 42.059 0.016 0.000 0.891 486 L HN 0.438 nan 8.230 nan 0.000 0.431 487 A N 0.319 123.188 122.820 0.080 0.000 1.883 487 A HA -0.293 4.027 4.320 0.000 0.000 0.217 487 A C 2.408 180.038 177.584 0.076 0.000 1.186 487 A CA 2.246 54.341 52.037 0.096 0.000 0.624 487 A CB -0.568 18.489 19.000 0.095 0.000 0.822 487 A HN 0.376 nan 8.150 nan 0.000 0.444 488 K N -0.621 119.801 120.400 0.037 0.000 2.063 488 K HA -0.128 4.192 4.320 0.000 0.000 0.208 488 K C 2.005 178.598 176.600 -0.012 0.000 1.048 488 K CA 1.548 57.846 56.287 0.019 0.000 0.928 488 K CB -0.648 31.854 32.500 0.003 0.000 0.713 488 K HN 0.378 nan 8.250 nan 0.000 0.442 489 G N -0.258 108.488 108.800 -0.090 0.000 2.475 489 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 489 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 489 G C 0.717 175.467 174.900 -0.251 0.000 1.125 489 G CA 0.977 45.933 45.100 -0.240 0.000 0.755 489 G HN 0.381 nan 8.290 nan 0.000 0.565 490 Y N -0.130 120.233 120.300 0.104 0.000 2.555 490 Y HA 0.410 4.961 4.550 0.000 0.000 0.259 490 Y C 1.830 177.821 175.900 0.151 0.000 1.179 490 Y CA -0.747 57.471 58.100 0.197 0.000 1.230 490 Y CB 0.395 38.974 38.460 0.198 0.000 1.146 490 Y HN 0.281 nan 8.280 nan 0.000 0.526 491 G N 0.237 109.149 108.800 0.187 0.000 2.132 491 G HA2 -0.227 3.733 3.960 0.000 0.000 0.234 491 G HA3 -0.227 3.733 3.960 0.000 0.000 0.234 491 G C -0.378 174.568 174.900 0.076 0.000 0.989 491 G CA 0.175 45.337 45.100 0.104 0.000 0.676 491 G HN 0.105 nan 8.290 nan 0.000 0.522 492 V N 1.052 121.025 119.914 0.099 0.000 2.427 492 V HA 0.450 4.570 4.120 0.000 0.000 0.286 492 V C 0.922 177.067 176.094 0.086 0.000 1.034 492 V CA -0.555 61.802 62.300 0.095 0.000 0.893 492 V CB 1.801 33.689 31.823 0.109 0.000 0.982 492 V HN 0.529 nan 8.190 nan 0.000 0.452 493 Q N 2.744 122.593 119.800 0.081 0.000 2.349 493 Q HA 0.370 4.710 4.340 0.000 0.000 0.287 493 Q C -0.217 175.832 176.000 0.083 0.000 1.044 493 Q CA 0.124 55.968 55.803 0.070 0.000 0.918 493 Q CB 0.758 29.533 28.738 0.061 0.000 1.242 493 Q HN 0.939 nan 8.270 nan 0.000 0.405 494 A N 5.806 128.668 122.820 0.069 0.000 2.357 494 A HA 0.594 4.914 4.320 0.000 0.000 0.295 494 A C -1.199 176.423 177.584 0.064 0.000 1.121 494 A CA -0.689 51.394 52.037 0.076 0.000 0.742 494 A CB 0.735 19.778 19.000 0.072 0.000 1.181 494 A HN 0.733 nan 8.150 nan 0.000 0.454 495 L N 1.759 123.022 121.223 0.068 0.000 2.303 495 L HA 0.687 5.028 4.340 0.000 0.000 0.266 495 L C 0.180 177.083 176.870 0.054 0.000 1.011 495 L CA -1.010 53.862 54.840 0.054 0.000 0.818 495 L CB 2.274 44.362 42.059 0.048 0.000 1.326 495 L HN 0.872 nan 8.230 nan 0.000 0.435 496 K N 0.547 120.973 120.400 0.043 0.000 2.340 496 K HA 0.909 5.229 4.320 0.000 0.000 0.244 496 K C -1.298 175.319 176.600 0.028 0.000 0.973 496 K CA -0.825 55.486 56.287 0.040 0.000 0.828 496 K CB 2.438 34.962 32.500 0.039 0.000 1.226 496 K HN 0.584 nan 8.250 nan 0.000 0.437 497 A N 2.201 125.034 122.820 0.022 0.000 2.569 497 A HA 0.292 4.612 4.320 0.000 0.000 0.282 497 A C -1.005 176.582 177.584 0.005 0.000 1.165 497 A CA -0.725 51.318 52.037 0.011 0.000 0.747 497 A CB 0.738 19.740 19.000 0.004 0.000 1.215 497 A HN 0.808 nan 8.150 nan 0.000 0.431 498 D N 0.893 121.297 120.400 0.007 0.000 2.360 498 D HA 0.089 4.729 4.640 0.000 0.000 0.210 498 D C 0.260 176.558 176.300 -0.004 0.000 1.047 498 D CA 1.025 55.027 54.000 0.003 0.000 0.854 498 D CB 0.455 41.260 40.800 0.008 0.000 0.936 498 D HN 0.793 nan 8.370 nan 0.000 0.514 499 N N -1.321 117.378 118.700 -0.003 0.000 3.039 499 N HA 0.088 4.828 4.740 0.000 0.000 0.257 499 N C 0.223 175.733 175.510 -0.001 0.000 1.497 499 N CA -0.734 52.314 53.050 -0.003 0.000 0.861 499 N CB 1.023 39.512 38.487 0.002 0.000 1.479 499 N HN -0.221 nan 8.380 nan 0.000 0.547 500 L N -0.041 121.185 121.223 0.004 0.000 2.046 500 L HA 0.067 4.407 4.340 0.000 0.000 0.208 500 L C 1.673 178.549 176.870 0.009 0.000 1.077 500 L CA 1.977 56.822 54.840 0.008 0.000 0.747 500 L CB -0.843 41.226 42.059 0.016 0.000 0.896 500 L HN 0.630 nan 8.230 nan 0.000 0.432 501 E N -0.306 119.901 120.200 0.010 0.000 2.110 501 E HA -0.246 4.104 4.350 0.000 0.000 0.193 501 E C 2.168 178.775 176.600 0.010 0.000 0.988 501 E CA 1.371 57.777 56.400 0.011 0.000 0.804 501 E CB -0.265 29.442 29.700 0.011 0.000 0.745 501 E HN 0.691 nan 8.360 nan 0.000 0.458 502 Q N 0.134 119.939 119.800 0.009 0.000 2.124 502 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 502 Q C 2.312 178.318 176.000 0.010 0.000 0.977 502 Q CA 0.836 56.645 55.803 0.011 0.000 0.850 502 Q CB -0.180 28.564 28.738 0.011 0.000 0.901 502 Q HN 0.131 nan 8.270 nan 0.000 0.429 503 L N 1.312 122.539 121.223 0.006 0.000 2.017 503 L HA -0.201 4.140 4.340 0.000 0.000 0.208 503 L C 1.863 178.738 176.870 0.010 0.000 1.073 503 L CA 1.885 56.727 54.840 0.004 0.000 0.745 503 L CB -0.223 41.833 42.059 -0.005 0.000 0.894 503 L HN -0.020 nan 8.230 nan 0.000 0.432 504 K N -0.688 119.719 120.400 0.011 0.000 2.057 504 K HA -0.093 4.227 4.320 0.000 0.000 0.207 504 K C 1.999 178.608 176.600 0.015 0.000 1.049 504 K CA 1.227 57.522 56.287 0.014 0.000 0.931 504 K CB -0.706 31.803 32.500 0.014 0.000 0.714 504 K HN 0.564 nan 8.250 nan 0.000 0.440 505 G N 0.503 109.311 108.800 0.014 0.000 2.404 505 G HA2 -0.222 3.738 3.960 0.000 0.000 0.215 505 G HA3 -0.222 3.738 3.960 0.000 0.000 0.215 505 G C 1.540 176.450 174.900 0.016 0.000 1.174 505 G CA 0.800 45.909 45.100 0.014 0.000 0.780 505 G HN 0.179 nan 8.290 nan 0.000 0.537 506 S N 0.448 116.158 115.700 0.017 0.000 2.382 506 S HA -0.012 4.458 4.470 0.000 0.000 0.228 506 S C 2.304 176.917 174.600 0.022 0.000 1.027 506 S CA 0.760 58.973 58.200 0.021 0.000 0.991 506 S CB -0.244 62.971 63.200 0.024 0.000 0.823 506 S HN 0.288 nan 8.310 nan 0.000 0.469 507 L N 0.852 122.087 121.223 0.020 0.000 2.046 507 L HA -0.160 4.180 4.340 0.000 0.000 0.208 507 L C 2.775 179.655 176.870 0.017 0.000 1.077 507 L CA 1.214 56.066 54.840 0.021 0.000 0.747 507 L CB -0.413 41.661 42.059 0.025 0.000 0.896 507 L HN 0.272 nan 8.230 nan 0.000 0.432 508 Q N 0.267 120.076 119.800 0.016 0.000 2.084 508 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 508 Q C 2.015 178.021 176.000 0.011 0.000 0.978 508 Q CA 1.726 57.536 55.803 0.013 0.000 0.844 508 Q CB 0.021 28.767 28.738 0.012 0.000 0.898 508 Q HN 0.436 nan 8.270 nan 0.000 0.426 509 E N -0.672 119.536 120.200 0.013 0.000 2.051 509 E HA -0.185 4.165 4.350 0.000 0.000 0.192 509 E C 1.907 178.515 176.600 0.013 0.000 0.991 509 E CA 0.920 57.328 56.400 0.014 0.000 0.799 509 E CB -0.244 29.466 29.700 0.017 0.000 0.748 509 E HN 0.452 nan 8.360 nan 0.000 0.449 510 A N 1.351 124.180 122.820 0.015 0.000 1.902 510 A HA -0.167 4.153 4.320 0.000 0.000 0.217 510 A C 2.214 179.797 177.584 -0.000 0.000 1.181 510 A CA 1.090 53.134 52.037 0.012 0.000 0.623 510 A CB -0.682 18.327 19.000 0.016 0.000 0.818 510 A HN 0.135 nan 8.150 nan 0.000 0.443 511 L N 0.336 121.558 121.223 -0.002 0.000 2.131 511 L HA -0.163 4.177 4.340 0.000 0.000 0.210 511 L C 2.757 179.622 176.870 -0.008 0.000 1.092 511 L CA 1.576 56.410 54.840 -0.010 0.000 0.759 511 L CB -0.360 41.696 42.059 -0.006 0.000 0.903 511 L HN 0.614 nan 8.230 nan 0.000 0.435 512 S N -0.663 115.036 115.700 -0.002 0.000 2.558 512 S HA 0.217 4.687 4.470 0.000 0.000 0.217 512 S C 0.990 175.590 174.600 0.000 0.000 0.975 512 S CA -0.036 58.163 58.200 -0.001 0.000 0.912 512 S CB -0.146 63.055 63.200 0.002 0.000 0.776 512 S HN 0.216 nan 8.310 nan 0.000 0.526 513 A N 1.629 124.449 122.820 0.001 0.000 2.386 513 A HA 0.473 4.793 4.320 0.000 0.000 0.248 513 A C 1.012 178.597 177.584 0.002 0.000 1.082 513 A CA -0.473 51.567 52.037 0.005 0.000 0.789 513 A CB 0.413 19.420 19.000 0.012 0.000 1.025 513 A HN 0.420 nan 8.150 nan 0.000 0.490 514 K N 0.955 121.358 120.400 0.005 0.000 2.361 514 K HA 0.135 4.456 4.320 0.000 0.000 0.194 514 K C 0.897 177.501 176.600 0.006 0.000 1.032 514 K CA 0.708 56.997 56.287 0.003 0.000 1.048 514 K CB 0.614 33.115 32.500 0.002 0.000 0.842 514 K HN 0.766 nan 8.250 nan 0.000 0.526 515 G N 2.142 110.950 108.800 0.013 0.000 2.932 515 G HA2 0.370 4.331 3.960 0.000 0.000 0.283 515 G HA3 0.370 4.331 3.960 0.000 0.000 0.283 515 G C -2.902 172.020 174.900 0.038 0.000 1.336 515 G CA -1.338 43.776 45.100 0.023 0.000 1.056 515 G HN -0.219 nan 8.290 nan 0.000 0.522 516 P HA 0.325 nan 4.420 nan 0.000 0.269 516 P C -0.789 176.595 177.300 0.141 0.000 1.209 516 P CA -0.123 63.051 63.100 0.124 0.000 0.776 516 P CB 1.531 33.368 31.700 0.228 0.000 0.876 517 V N 3.793 123.805 119.914 0.163 0.000 2.686 517 V HA 0.334 4.454 4.120 0.000 0.000 0.306 517 V C 0.004 176.251 176.094 0.255 0.000 1.065 517 V CA -0.753 61.641 62.300 0.156 0.000 0.894 517 V CB 2.028 33.900 31.823 0.082 0.000 1.004 517 V HN 0.454 nan 8.190 nan 0.000 0.424 518 L N 5.926 127.291 121.223 0.237 0.000 2.307 518 L HA 0.698 5.038 4.340 0.000 0.000 0.284 518 L C -0.939 176.016 176.870 0.141 0.000 1.023 518 L CA -0.245 54.736 54.840 0.236 0.000 0.810 518 L CB 1.150 43.312 42.059 0.173 0.000 1.231 518 L HN 0.597 nan 8.230 nan 0.000 0.423 519 I N 4.731 125.372 120.570 0.118 0.000 2.382 519 I HA 0.293 4.463 4.170 0.000 0.000 0.286 519 I C -0.267 175.879 176.117 0.048 0.000 1.002 519 I CA -0.418 60.925 61.300 0.072 0.000 1.135 519 I CB 1.720 39.751 38.000 0.053 0.000 1.288 519 I HN 0.615 nan 8.210 nan 0.000 0.448 520 E N 6.683 126.914 120.200 0.050 0.000 2.105 520 E HA 0.317 4.667 4.350 0.000 0.000 0.285 520 E C -1.209 175.400 176.600 0.016 0.000 1.055 520 E CA -0.502 55.916 56.400 0.030 0.000 0.843 520 E CB 1.015 30.780 29.700 0.108 0.000 1.067 520 E HN 0.373 nan 8.360 nan 0.000 0.398 521 V N 3.970 123.873 119.914 -0.018 0.000 2.407 521 V HA 0.103 4.223 4.120 0.000 0.000 0.278 521 V C 0.389 176.473 176.094 -0.017 0.000 1.037 521 V CA -0.630 61.659 62.300 -0.020 0.000 0.900 521 V CB 1.429 33.227 31.823 -0.041 0.000 0.983 521 V HN 0.597 nan 8.190 nan 0.000 0.459 522 S N 4.330 120.025 115.700 -0.008 0.000 2.414 522 S HA 0.350 4.820 4.470 0.000 0.000 0.290 522 S C 0.393 174.976 174.600 -0.028 0.000 1.160 522 S CA -0.468 57.729 58.200 -0.005 0.000 1.069 522 S CB -0.222 62.978 63.200 0.000 0.000 1.012 522 S HN 1.006 nan 8.310 nan 0.000 0.510 523 T N 1.734 116.272 114.554 -0.026 0.000 2.945 523 T HA 0.663 5.013 4.350 0.000 0.000 0.286 523 T C 0.725 175.399 174.700 -0.044 0.000 1.025 523 T CA -0.734 61.339 62.100 -0.045 0.000 1.039 523 T CB 0.999 69.848 68.868 -0.030 0.000 1.068 523 T HN 0.552 nan 8.240 nan 0.000 0.497 524 V N 0.000 119.864 119.914 -0.084 0.000 2.409 524 V HA 0.000 4.120 4.120 0.000 0.000 0.244 524 V CA 0.000 62.252 62.300 -0.080 0.000 1.235 524 V CB 0.000 31.713 31.823 -0.183 0.000 1.184 524 V HN 0.000 nan 8.190 nan 0.000 0.556