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 1bga_1_C DATA FIRST_RESID 2 DATA SEQUENCE TIFQFPQDFM WGTATAAYQI EGAYQEDGRG LSIWDTFAHT PGKVFNGDNG DATA SEQUENCE NVACDSYHRY EEDIRLMKEL GIRTYRFSVS WPRIFPNGDG EVNQEGLDYY DATA SEQUENCE HRVVDLLNDN GIEPFCTLYH WDLPQALQDA GGWGNRRTIQ AFVQFAETMF DATA SEQUENCE REFHGKIQHW LTFNEPWCIA FLSNMLGVHA PGLTNLQTAI DVGHHLLVAH DATA SEQUENCE GLSVRRFREL GTSGQIGIAP NVSWAVPYST SEEDKAACAR TISLHSDWFL DATA SEQUENCE QPIYQGSYPQ FLVDWFAEQG ATVPIQDGDM DIIGEPIDMI GINYYSMSVN DATA SEQUENCE RFNPEAGFLQ SEEINMGLPV TDIGWPVESR GLYEVLHYLQ KYGNIDIYIT DATA SEQUENCE ENGACINDEV VNGKVQDDRR ISYMQQHLVQ VHRTIHDGLH VKGYMAWSLL DATA SEQUENCE DNFEWAEGYN MRFGMIHVDF RTQVRTPKES YYWYRNVVSN NWLETRR 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.489 174.700 -0.352 0.000 1.109 2 T CA 0.000 61.939 62.100 -0.269 0.000 1.349 2 T CB 0.000 68.635 68.868 -0.388 0.000 0.612 3 I N 2.755 123.019 120.570 -0.511 0.000 2.359 3 I HA 0.526 4.696 4.170 -0.000 0.000 0.294 3 I C -1.021 174.674 176.117 -0.703 0.000 0.987 3 I CA -0.785 60.305 61.300 -0.351 0.000 1.225 3 I CB 1.004 38.845 38.000 -0.266 0.000 1.366 3 I HN 0.570 nan 8.210 nan 0.000 0.466 4 F N 4.724 124.577 119.950 -0.162 0.000 2.430 4 F HA 0.324 4.851 4.527 -0.000 0.000 0.362 4 F C 0.245 175.924 175.800 -0.203 0.000 1.103 4 F CA -0.792 56.879 58.000 -0.548 0.000 1.045 4 F CB 1.132 39.764 39.000 -0.614 0.000 1.276 4 F HN 0.375 nan 8.300 nan 0.000 0.444 5 Q N 2.878 122.649 119.800 -0.049 0.000 2.286 5 Q HA 0.418 4.758 4.340 -0.000 0.000 0.257 5 Q C -1.356 174.774 176.000 0.217 0.000 0.941 5 Q CA 0.112 56.034 55.803 0.199 0.000 0.912 5 Q CB 0.553 29.338 28.738 0.078 0.000 1.192 5 Q HN 0.450 nan 8.270 nan 0.000 0.410 6 F N 4.488 124.629 119.950 0.319 0.000 2.408 6 F HA 0.516 5.043 4.527 -0.000 0.000 0.325 6 F C -1.668 174.237 175.800 0.174 0.000 1.082 6 F CA -2.266 55.843 58.000 0.182 0.000 1.032 6 F CB 0.876 39.901 39.000 0.042 0.000 1.259 6 F HN 0.567 nan 8.300 nan 0.000 0.503 7 P HA 0.027 nan 4.420 nan 0.000 0.268 7 P C 0.096 177.572 177.300 0.293 0.000 1.205 7 P CA -0.031 63.215 63.100 0.243 0.000 0.771 7 P CB 0.735 32.560 31.700 0.208 0.000 0.858 8 Q N 2.330 122.263 119.800 0.223 0.000 2.133 8 Q HA -0.244 4.096 4.340 -0.000 0.000 0.208 8 Q C 0.620 176.746 176.000 0.209 0.000 0.991 8 Q CA 2.126 58.052 55.803 0.206 0.000 0.867 8 Q CB -0.529 28.298 28.738 0.148 0.000 0.911 8 Q HN 0.393 nan 8.270 nan 0.000 0.417 9 D N -0.745 119.769 120.400 0.190 0.000 2.342 9 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 9 D C -0.564 175.829 176.300 0.156 0.000 1.101 9 D CA -0.176 53.919 54.000 0.159 0.000 0.837 9 D CB -0.305 40.565 40.800 0.118 0.000 0.938 9 D HN 0.182 nan 8.370 nan 0.000 0.508 10 F N 1.943 121.912 119.950 0.031 0.000 2.607 10 F HA 0.006 4.533 4.527 -0.000 0.000 0.374 10 F C 0.549 176.232 175.800 -0.195 0.000 1.104 10 F CA -0.015 57.917 58.000 -0.112 0.000 1.296 10 F CB 0.514 39.412 39.000 -0.169 0.000 1.085 10 F HN -0.189 nan 8.300 nan 0.000 0.584 11 M N 7.597 126.711 119.600 -0.811 0.000 2.063 11 M HA 0.235 4.715 4.480 -0.000 0.000 0.348 11 M C -1.671 174.270 176.300 -0.598 0.000 1.180 11 M CA -0.238 54.781 55.300 -0.469 0.000 1.059 11 M CB 0.411 32.898 32.600 -0.189 0.000 1.544 11 M HN 0.648 nan 8.290 nan 0.000 0.447 12 W N 3.996 125.248 121.300 -0.081 0.000 2.469 12 W HA 0.715 5.375 4.660 -0.000 0.000 0.320 12 W C 0.338 176.887 176.519 0.049 0.000 1.086 12 W CA -0.224 57.134 57.345 0.021 0.000 1.211 12 W CB 1.785 31.215 29.460 -0.049 0.000 1.298 12 W HN 0.794 nan 8.180 nan 0.000 0.525 13 G N 0.558 109.606 108.800 0.414 0.000 2.619 13 G HA2 0.666 4.626 3.960 -0.000 0.000 0.305 13 G HA3 0.666 4.626 3.960 -0.000 0.000 0.305 13 G C -1.069 174.032 174.900 0.334 0.000 1.330 13 G CA -0.684 44.591 45.100 0.293 0.000 0.789 13 G HN 0.441 nan 8.290 nan 0.000 0.487 14 T N -3.131 111.573 114.554 0.250 0.000 2.838 14 T HA 0.913 5.263 4.350 -0.000 0.000 0.292 14 T C -0.441 174.347 174.700 0.147 0.000 1.113 14 T CA -0.066 62.144 62.100 0.184 0.000 1.008 14 T CB 1.779 70.762 68.868 0.191 0.000 1.259 14 T HN 2.172 nan 8.240 nan 0.000 0.520 15 A N 0.639 123.480 122.820 0.035 0.000 2.587 15 A HA 0.991 5.311 4.320 -0.000 0.000 0.293 15 A C -0.145 177.294 177.584 -0.241 0.000 1.087 15 A CA -0.513 51.518 52.037 -0.009 0.000 0.692 15 A CB 1.501 20.620 19.000 0.198 0.000 1.291 15 A HN 1.749 nan 8.150 nan 0.000 0.407 16 T N -2.140 112.358 114.554 -0.093 0.000 2.762 16 T HA 0.889 5.239 4.350 -0.000 0.000 0.301 16 T C -0.525 174.239 174.700 0.107 0.000 1.299 16 T CA -0.142 61.889 62.100 -0.114 0.000 1.005 16 T CB 1.379 70.276 68.868 0.049 0.000 1.377 16 T HN 2.298 nan 8.240 nan 0.000 0.504 17 A N -0.185 122.656 122.820 0.034 0.000 2.414 17 A HA 0.903 5.223 4.320 -0.000 0.000 0.306 17 A C 1.227 178.796 177.584 -0.025 0.000 1.054 17 A CA -0.379 51.550 52.037 -0.180 0.000 0.724 17 A CB 1.160 19.704 19.000 -0.760 0.000 1.267 17 A HN 1.598 nan 8.150 nan 0.000 0.418 18 A N 0.940 123.818 122.820 0.097 0.000 1.859 18 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 18 A C 1.831 179.506 177.584 0.150 0.000 1.198 18 A CA 2.381 54.551 52.037 0.223 0.000 0.629 18 A CB -1.124 18.087 19.000 0.352 0.000 0.830 18 A HN 1.428 nan 8.150 nan 0.000 0.446 19 Y N 0.684 121.001 120.300 0.030 0.000 2.403 19 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 19 Y C 2.438 178.219 175.900 -0.198 0.000 1.143 19 Y CA 1.933 60.010 58.100 -0.038 0.000 1.257 19 Y CB -0.246 38.244 38.460 0.050 0.000 0.984 19 Y HN 0.488 nan 8.280 nan 0.000 0.550 20 Q N -0.672 118.919 119.800 -0.348 0.000 2.245 20 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 20 Q C 1.905 177.797 176.000 -0.180 0.000 0.955 20 Q CA 1.684 57.241 55.803 -0.410 0.000 0.870 20 Q CB 0.145 28.598 28.738 -0.476 0.000 0.945 20 Q HN 0.752 nan 8.270 nan 0.000 0.461 21 I N -3.492 117.027 120.570 -0.085 0.000 4.338 21 I HA 0.209 4.379 4.170 -0.000 0.000 0.315 21 I C 0.015 176.159 176.117 0.045 0.000 1.262 21 I CA -0.284 61.028 61.300 0.021 0.000 1.298 21 I CB 0.353 38.394 38.000 0.069 0.000 1.257 21 I HN -0.208 nan 8.210 nan 0.000 0.444 22 E N 2.845 123.077 120.200 0.053 0.000 2.376 22 E HA 0.379 4.729 4.350 -0.000 0.000 0.266 22 E C 0.016 176.605 176.600 -0.019 0.000 1.009 22 E CA 0.089 56.529 56.400 0.066 0.000 0.902 22 E CB 0.950 30.721 29.700 0.119 0.000 0.972 22 E HN 0.518 nan 8.360 nan 0.000 0.439 23 G N 1.792 110.587 108.800 -0.008 0.000 4.487 23 G HA2 0.480 4.440 3.960 -0.000 0.000 0.339 23 G HA3 0.480 4.440 3.960 -0.000 0.000 0.339 23 G C -0.251 174.639 174.900 -0.017 0.000 1.482 23 G CA -0.271 44.820 45.100 -0.014 0.000 1.069 23 G HN 0.465 nan 8.290 nan 0.000 0.515 24 A N 1.370 124.121 122.820 -0.115 0.000 3.411 24 A HA 0.389 4.709 4.320 -0.000 0.000 0.238 24 A C 0.406 177.875 177.584 -0.192 0.000 1.140 24 A CA -0.423 51.490 52.037 -0.206 0.000 0.980 24 A CB -0.656 17.954 19.000 -0.650 0.000 1.371 24 A HN 0.976 nan 8.150 nan 0.000 0.700 25 Y N -0.237 119.988 120.300 -0.124 0.000 2.403 25 Y HA -0.083 4.466 4.550 -0.000 0.000 0.291 25 Y C 1.283 177.164 175.900 -0.032 0.000 1.143 25 Y CA 2.373 60.453 58.100 -0.033 0.000 1.257 25 Y CB -0.079 38.429 38.460 0.080 0.000 0.984 25 Y HN 0.469 nan 8.280 nan 0.000 0.550 26 Q N 0.218 119.684 119.800 -0.557 0.000 2.189 26 Q HA 0.150 4.490 4.340 -0.000 0.000 0.223 26 Q C -0.164 175.671 176.000 -0.274 0.000 0.828 26 Q CA -0.179 55.334 55.803 -0.484 0.000 0.967 26 Q CB 0.753 29.122 28.738 -0.615 0.000 1.139 26 Q HN 0.521 nan 8.270 nan 0.000 0.497 27 E N 1.184 121.219 120.200 -0.274 0.000 2.373 27 E HA -0.022 4.328 4.350 -0.000 0.000 0.263 27 E C -0.555 175.926 176.600 -0.199 0.000 1.073 27 E CA -0.203 56.062 56.400 -0.226 0.000 0.894 27 E CB 0.519 30.044 29.700 -0.292 0.000 1.008 27 E HN 0.071 nan 8.360 nan 0.000 0.420 28 D N 2.477 122.832 120.400 -0.075 0.000 2.737 28 D HA -0.215 4.425 4.640 -0.000 0.000 0.233 28 D C 0.555 176.851 176.300 -0.007 0.000 1.155 28 D CA 1.469 55.468 54.000 -0.001 0.000 0.667 28 D CB -1.563 39.289 40.800 0.087 0.000 1.060 28 D HN 0.853 nan 8.370 nan 0.000 0.427 29 G N -0.053 108.728 108.800 -0.032 0.000 2.153 29 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.252 29 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.252 29 G C 0.338 175.228 174.900 -0.017 0.000 0.994 29 G CA 0.398 45.487 45.100 -0.018 0.000 0.698 29 G HN 0.680 nan 8.290 nan 0.000 0.521 30 R N 0.612 121.083 120.500 -0.047 0.000 2.489 30 R HA 0.455 4.795 4.340 -0.000 0.000 0.287 30 R C 1.068 177.359 176.300 -0.015 0.000 1.053 30 R CA 0.500 56.589 56.100 -0.018 0.000 1.036 30 R CB 0.053 30.324 30.300 -0.048 0.000 0.966 30 R HN 0.331 nan 8.270 nan 0.000 0.432 31 G N 3.665 112.474 108.800 0.015 0.000 2.477 31 G HA2 0.345 4.305 3.960 -0.000 0.000 0.304 31 G HA3 0.345 4.305 3.960 -0.000 0.000 0.304 31 G C -0.307 174.611 174.900 0.030 0.000 1.175 31 G CA -0.897 44.207 45.100 0.007 0.000 0.907 31 G HN 0.520 nan 8.290 nan 0.000 0.509 32 L N 0.764 122.008 121.223 0.035 0.000 2.439 32 L HA 0.336 4.676 4.340 -0.000 0.000 0.269 32 L C 1.150 178.030 176.870 0.017 0.000 1.179 32 L CA -0.329 54.554 54.840 0.072 0.000 0.828 32 L CB 1.175 43.290 42.059 0.093 0.000 1.106 32 L HN 0.654 nan 8.230 nan 0.000 0.467 33 S N 2.002 117.715 115.700 0.022 0.000 2.718 33 S HA 0.411 4.881 4.470 -0.000 0.000 0.300 33 S C 1.043 175.627 174.600 -0.027 0.000 1.117 33 S CA -0.874 57.320 58.200 -0.010 0.000 1.002 33 S CB 1.321 64.537 63.200 0.027 0.000 1.092 33 S HN 0.613 nan 8.310 nan 0.000 0.542 34 I N -2.696 117.856 120.570 -0.030 0.000 2.567 34 I HA 0.017 4.187 4.170 -0.000 0.000 0.257 34 I C 1.661 177.696 176.117 -0.136 0.000 1.184 34 I CA 0.959 62.206 61.300 -0.088 0.000 1.451 34 I CB -0.391 37.533 38.000 -0.125 0.000 1.089 34 I HN 0.640 nan 8.210 nan 0.000 0.441 35 W N 2.177 123.390 121.300 -0.146 0.000 2.476 35 W HA -0.045 4.614 4.660 -0.000 0.000 0.281 35 W C 1.995 178.319 176.519 -0.325 0.000 1.230 35 W CA 1.168 58.394 57.345 -0.199 0.000 1.287 35 W CB -0.082 29.171 29.460 -0.345 0.000 1.108 35 W HN 0.158 nan 8.180 nan 0.000 0.567 36 D N -0.909 119.365 120.400 -0.209 0.000 2.097 36 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 36 D C 2.108 178.194 176.300 -0.356 0.000 0.989 36 D CA 2.303 56.124 54.000 -0.297 0.000 0.827 36 D CB -0.630 40.143 40.800 -0.045 0.000 0.966 36 D HN -0.076 nan 8.370 nan 0.000 0.456 37 T N 0.231 114.735 114.554 -0.084 0.000 2.652 37 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 37 T C 1.637 176.359 174.700 0.036 0.000 1.039 37 T CA 0.876 62.984 62.100 0.013 0.000 1.153 37 T CB -0.565 68.315 68.868 0.020 0.000 0.863 37 T HN 0.080 nan 8.240 nan 0.000 0.428 38 F N 2.135 121.988 119.950 -0.162 0.000 2.069 38 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 38 F C 2.551 178.342 175.800 -0.016 0.000 1.113 38 F CA 1.094 58.988 58.000 -0.177 0.000 1.214 38 F CB -0.873 37.833 39.000 -0.489 0.000 0.978 38 F HN 0.151 nan 8.300 nan 0.000 0.474 39 A N -1.195 121.717 122.820 0.153 0.000 2.019 39 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 39 A C 1.714 179.351 177.584 0.089 0.000 1.164 39 A CA 1.665 53.806 52.037 0.174 0.000 0.644 39 A CB -1.083 18.090 19.000 0.289 0.000 0.805 39 A HN 0.570 nan 8.150 nan 0.000 0.449 40 H N 0.026 119.122 119.070 0.042 0.000 2.556 40 H HA 0.101 4.657 4.556 -0.000 0.000 0.268 40 H C -0.156 175.154 175.328 -0.028 0.000 0.996 40 H CA 0.687 56.738 56.048 0.004 0.000 1.157 40 H CB -0.460 29.314 29.762 0.020 0.000 1.355 40 H HN 0.273 nan 8.280 nan 0.000 0.597 41 T N 3.243 117.810 114.554 0.022 0.000 2.767 41 T HA 0.261 4.611 4.350 -0.000 0.000 0.288 41 T C -2.399 172.252 174.700 -0.083 0.000 0.963 41 T CA -1.523 60.545 62.100 -0.052 0.000 1.019 41 T CB 1.826 70.614 68.868 -0.133 0.000 0.923 41 T HN -0.016 nan 8.240 nan 0.000 0.468 42 P HA 0.239 nan 4.420 nan 0.000 0.264 42 P C 1.105 178.363 177.300 -0.069 0.000 1.193 42 P CA 0.821 63.892 63.100 -0.047 0.000 0.763 42 P CB 0.341 32.022 31.700 -0.031 0.000 0.810 43 G N 2.593 111.357 108.800 -0.060 0.000 2.225 43 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 43 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 43 G C 1.246 176.096 174.900 -0.083 0.000 0.988 43 G CA 0.064 45.135 45.100 -0.049 0.000 0.625 43 G HN 0.446 nan 8.290 nan 0.000 0.527 44 K N -0.206 120.071 120.400 -0.205 0.000 2.098 44 K HA 0.357 4.676 4.320 -0.000 0.000 0.203 44 K C 1.130 177.648 176.600 -0.137 0.000 1.051 44 K CA 1.043 57.077 56.287 -0.421 0.000 0.957 44 K CB 0.021 31.799 32.500 -1.202 0.000 0.738 44 K HN 0.441 nan 8.250 nan 0.000 0.447 45 V N 1.881 121.800 119.914 0.009 0.000 2.680 45 V HA 0.219 4.338 4.120 -0.000 0.000 0.309 45 V C -0.435 175.781 176.094 0.202 0.000 1.052 45 V CA -1.282 61.156 62.300 0.230 0.000 0.908 45 V CB 1.620 33.684 31.823 0.401 0.000 1.001 45 V HN 0.126 nan 8.190 nan 0.000 0.431 46 F N 5.175 125.195 119.950 0.117 0.000 2.612 46 F HA 0.039 4.566 4.527 -0.000 0.000 0.389 46 F C 1.457 177.313 175.800 0.093 0.000 1.055 46 F CA 1.385 59.438 58.000 0.088 0.000 1.232 46 F CB -0.338 38.704 39.000 0.070 0.000 1.044 46 F HN 0.874 nan 8.300 nan 0.000 0.560 47 N N 3.632 121.849 118.700 -0.806 0.000 2.778 47 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 47 N C 0.958 176.347 175.510 -0.201 0.000 1.069 47 N CA 0.813 53.484 53.050 -0.633 0.000 0.831 47 N CB -1.306 36.683 38.487 -0.830 0.000 1.142 47 N HN 1.530 nan 8.380 nan 0.000 0.573 48 G N -0.167 108.584 108.800 -0.080 0.000 2.168 48 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 48 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 48 G C -0.117 174.838 174.900 0.092 0.000 0.997 48 G CA 0.671 45.780 45.100 0.014 0.000 0.708 48 G HN 0.654 nan 8.290 nan 0.000 0.520 49 D N 0.670 121.164 120.400 0.156 0.000 2.362 49 D HA 0.462 5.102 4.640 -0.000 0.000 0.238 49 D C 0.925 177.390 176.300 0.274 0.000 1.212 49 D CA 1.071 55.235 54.000 0.272 0.000 0.902 49 D CB 0.638 41.668 40.800 0.382 0.000 1.180 49 D HN 0.772 nan 8.370 nan 0.000 0.445 50 N N -2.915 115.809 118.700 0.040 0.000 3.106 50 N HA 0.411 5.151 4.740 -0.000 0.000 0.253 50 N C 0.001 174.969 175.510 -0.903 0.000 1.506 50 N CA -0.985 51.789 53.050 -0.459 0.000 0.876 50 N CB 0.611 39.034 38.487 -0.106 0.000 1.452 50 N HN 0.200 nan 8.380 nan 0.000 0.542 51 G N -1.020 107.116 108.800 -1.106 0.000 3.448 51 G HA2 0.032 3.992 3.960 -0.000 0.000 0.261 51 G HA3 0.032 3.992 3.960 -0.000 0.000 0.261 51 G C 0.099 174.651 174.900 -0.581 0.000 1.173 51 G CA -0.306 44.101 45.100 -1.155 0.000 0.835 51 G HN 0.501 nan 8.290 nan 0.000 0.534 52 N N 0.440 118.886 118.700 -0.424 0.000 2.094 52 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 52 N C 2.000 177.472 175.510 -0.062 0.000 1.023 52 N CA 1.418 54.248 53.050 -0.367 0.000 0.857 52 N CB 0.013 38.262 38.487 -0.398 0.000 1.013 52 N HN 0.285 nan 8.380 nan 0.000 0.426 53 V N -0.960 118.900 119.914 -0.089 0.000 3.090 53 V HA 0.381 4.501 4.120 -0.000 0.000 0.237 53 V C 1.290 177.368 176.094 -0.026 0.000 1.209 53 V CA 0.624 62.912 62.300 -0.021 0.000 1.209 53 V CB -0.421 31.394 31.823 -0.014 0.000 0.971 53 V HN 0.392 nan 8.190 nan 0.000 0.477 54 A N 0.309 123.099 122.820 -0.050 0.000 5.318 54 A HA -0.403 3.917 4.320 -0.000 0.000 0.329 54 A C 1.495 179.181 177.584 0.171 0.000 1.789 54 A CA 2.189 54.269 52.037 0.072 0.000 0.711 54 A CB -1.990 16.997 19.000 -0.022 0.000 1.398 54 A HN 0.637 nan 8.150 nan 0.000 0.392 55 C N -0.291 119.122 119.300 0.188 0.000 2.791 55 C HA 0.474 4.934 4.460 -0.000 0.000 0.270 55 C C 0.974 176.027 174.990 0.105 0.000 1.257 55 C CA 0.926 60.048 59.018 0.174 0.000 1.699 55 C CB -0.952 26.874 27.740 0.143 0.000 1.904 55 C HN 1.027 nan 8.230 nan 0.000 0.603 56 D N 0.770 121.231 120.400 0.101 0.000 2.751 56 D HA -0.166 4.473 4.640 -0.000 0.000 0.233 56 D C 1.112 177.490 176.300 0.131 0.000 1.149 56 D CA 0.910 54.987 54.000 0.128 0.000 0.682 56 D CB -1.113 39.785 40.800 0.164 0.000 1.068 56 D HN 0.416 nan 8.370 nan 0.000 0.429 57 S N -1.148 114.624 115.700 0.120 0.000 2.507 57 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 57 S C 1.327 176.050 174.600 0.205 0.000 0.988 57 S CA 0.524 58.821 58.200 0.162 0.000 0.944 57 S CB -0.212 63.092 63.200 0.173 0.000 0.762 57 S HN 0.599 nan 8.310 nan 0.000 0.526 58 Y N 1.692 121.923 120.300 -0.114 0.000 2.274 58 Y HA -0.174 4.376 4.550 -0.000 0.000 0.290 58 Y C 1.840 177.606 175.900 -0.223 0.000 1.145 58 Y CA 1.689 59.510 58.100 -0.465 0.000 1.203 58 Y CB -0.156 37.843 38.460 -0.768 0.000 0.984 58 Y HN 0.449 nan 8.280 nan 0.000 0.533 59 H N -2.154 117.024 119.070 0.179 0.000 2.729 59 H HA 0.300 4.856 4.556 -0.000 0.000 0.263 59 H C 1.329 176.660 175.328 0.006 0.000 0.961 59 H CA 0.178 56.293 56.048 0.111 0.000 1.217 59 H CB 0.352 30.170 29.762 0.094 0.000 1.447 59 H HN 0.058 nan 8.280 nan 0.000 0.496 60 R N 1.042 121.622 120.500 0.133 0.000 2.427 60 R HA 0.038 4.378 4.340 -0.000 0.000 0.262 60 R C 0.713 176.976 176.300 -0.062 0.000 0.943 60 R CA -0.067 56.028 56.100 -0.008 0.000 1.081 60 R CB -0.047 30.267 30.300 0.023 0.000 1.166 60 R HN 0.482 nan 8.270 nan 0.000 0.534 61 Y N 0.413 120.723 120.300 0.017 0.000 2.241 61 Y HA -0.155 4.395 4.550 -0.000 0.000 0.286 61 Y C 1.357 177.219 175.900 -0.063 0.000 1.166 61 Y CA 1.063 59.151 58.100 -0.021 0.000 1.203 61 Y CB -0.449 38.006 38.460 -0.009 0.000 0.977 61 Y HN 0.007 nan 8.280 nan 0.000 0.529 62 E N 0.604 120.438 120.200 -0.611 0.000 2.077 62 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 62 E C 2.135 178.623 176.600 -0.186 0.000 0.989 62 E CA 1.259 57.437 56.400 -0.370 0.000 0.800 62 E CB -0.197 29.229 29.700 -0.458 0.000 0.746 62 E HN 0.769 nan 8.360 nan 0.000 0.452 63 E N 1.115 121.211 120.200 -0.173 0.000 2.047 63 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 63 E C 1.418 177.964 176.600 -0.089 0.000 0.987 63 E CA 1.374 57.708 56.400 -0.111 0.000 0.799 63 E CB 0.105 29.746 29.700 -0.098 0.000 0.752 63 E HN 0.109 nan 8.360 nan 0.000 0.449 64 D N 0.768 121.116 120.400 -0.087 0.000 2.123 64 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 64 D C 2.069 178.297 176.300 -0.120 0.000 0.992 64 D CA 1.144 55.090 54.000 -0.090 0.000 0.833 64 D CB -0.268 40.484 40.800 -0.080 0.000 0.954 64 D HN 0.345 nan 8.370 nan 0.000 0.455 65 I N 0.444 120.939 120.570 -0.124 0.000 2.394 65 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 65 I C 2.558 178.629 176.117 -0.078 0.000 1.136 65 I CA 0.639 61.860 61.300 -0.132 0.000 1.425 65 I CB -0.117 37.829 38.000 -0.090 0.000 1.079 65 I HN -0.063 nan 8.210 nan 0.000 0.425 66 R N 1.497 121.960 120.500 -0.061 0.000 2.075 66 R HA -0.133 4.206 4.340 -0.000 0.000 0.232 66 R C 2.308 178.604 176.300 -0.007 0.000 1.126 66 R CA 1.321 57.401 56.100 -0.034 0.000 0.963 66 R CB -0.187 30.089 30.300 -0.040 0.000 0.858 66 R HN 0.276 nan 8.270 nan 0.000 0.435 67 L N 1.084 122.302 121.223 -0.009 0.000 2.046 67 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 67 L C 2.742 179.686 176.870 0.123 0.000 1.077 67 L CA 1.762 56.634 54.840 0.054 0.000 0.747 67 L CB -0.436 41.622 42.059 -0.001 0.000 0.896 67 L HN 0.430 nan 8.230 nan 0.000 0.432 68 M N -1.313 118.303 119.600 0.027 0.000 2.557 68 M HA -0.083 4.397 4.480 -0.000 0.000 0.259 68 M C 1.953 178.243 176.300 -0.017 0.000 1.086 68 M CA 1.388 56.690 55.300 0.003 0.000 1.096 68 M CB -0.219 32.334 32.600 -0.079 0.000 1.424 68 M HN -0.081 nan 8.290 nan 0.000 0.488 69 K N 1.499 121.892 120.400 -0.011 0.000 2.116 69 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 69 K C 1.456 178.053 176.600 -0.006 0.000 1.052 69 K CA 1.642 57.923 56.287 -0.010 0.000 0.952 69 K CB -0.127 32.369 32.500 -0.008 0.000 0.729 69 K HN 0.579 nan 8.250 nan 0.000 0.446 70 E N -0.052 120.165 120.200 0.028 0.000 2.208 70 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 70 E C 1.504 178.086 176.600 -0.030 0.000 0.988 70 E CA 0.595 57.023 56.400 0.048 0.000 0.828 70 E CB -0.082 29.703 29.700 0.142 0.000 0.763 70 E HN 0.116 nan 8.360 nan 0.000 0.478 71 L N 0.134 121.289 121.223 -0.113 0.000 2.362 71 L HA 0.042 4.382 4.340 -0.000 0.000 0.219 71 L C 1.347 178.048 176.870 -0.283 0.000 1.134 71 L CA 1.700 56.320 54.840 -0.367 0.000 0.807 71 L CB -0.408 41.425 42.059 -0.377 0.000 0.927 71 L HN 0.248 nan 8.230 nan 0.000 0.447 72 G N -0.360 108.344 108.800 -0.161 0.000 2.160 72 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 72 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 72 G C 0.323 175.148 174.900 -0.126 0.000 1.008 72 G CA 0.418 45.434 45.100 -0.141 0.000 0.724 72 G HN 0.311 nan 8.290 nan 0.000 0.514 73 I N -0.144 120.373 120.570 -0.088 0.000 2.779 73 I HA 0.380 4.549 4.170 -0.000 0.000 0.285 73 I C 1.747 177.904 176.117 0.066 0.000 1.134 73 I CA -0.310 60.989 61.300 -0.003 0.000 1.398 73 I CB 0.718 38.745 38.000 0.045 0.000 1.404 73 I HN 0.206 nan 8.210 nan 0.000 0.587 74 R N 1.912 122.488 120.500 0.128 0.000 2.175 74 R HA 0.138 4.477 4.340 -0.000 0.000 0.202 74 R C -0.002 176.377 176.300 0.132 0.000 1.018 74 R CA 0.859 57.033 56.100 0.124 0.000 1.029 74 R CB -0.038 30.343 30.300 0.135 0.000 0.959 74 R HN 0.797 nan 8.270 nan 0.000 0.480 75 T N -2.958 111.688 114.554 0.154 0.000 2.883 75 T HA 0.403 4.753 4.350 -0.000 0.000 0.296 75 T C -1.539 173.318 174.700 0.262 0.000 1.117 75 T CA -0.760 61.452 62.100 0.188 0.000 1.006 75 T CB 2.077 71.039 68.868 0.156 0.000 1.191 75 T HN 0.063 nan 8.240 nan 0.000 0.508 76 Y N 0.910 121.299 120.300 0.149 0.000 2.329 76 Y HA 0.627 5.177 4.550 -0.000 0.000 0.328 76 Y C -0.415 175.644 175.900 0.265 0.000 0.992 76 Y CA -1.433 56.764 58.100 0.162 0.000 1.151 76 Y CB 1.593 40.132 38.460 0.133 0.000 1.150 76 Y HN 0.961 nan 8.280 nan 0.000 0.450 77 R N 6.860 127.243 120.500 -0.195 0.000 2.265 77 R HA 0.567 4.907 4.340 -0.000 0.000 0.319 77 R C -1.614 174.421 176.300 -0.442 0.000 1.006 77 R CA -0.352 55.609 56.100 -0.231 0.000 0.880 77 R CB 0.430 30.607 30.300 -0.206 0.000 1.077 77 R HN 0.599 nan 8.270 nan 0.000 0.454 78 F N 0.654 120.316 119.950 -0.480 0.000 2.629 78 F HA 0.604 5.131 4.527 -0.000 0.000 0.316 78 F C -0.895 174.839 175.800 -0.109 0.000 1.081 78 F CA -1.187 56.595 58.000 -0.363 0.000 0.954 78 F CB 1.298 40.056 39.000 -0.403 0.000 1.337 78 F HN 0.409 nan 8.300 nan 0.000 0.474 79 S N 0.785 116.497 115.700 0.021 0.000 2.638 79 S HA 0.840 5.310 4.470 -0.000 0.000 0.298 79 S C -1.172 173.480 174.600 0.086 0.000 1.111 79 S CA -0.662 57.530 58.200 -0.013 0.000 1.027 79 S CB 1.674 64.952 63.200 0.129 0.000 1.064 79 S HN 0.752 nan 8.310 nan 0.000 0.525 80 V N 2.269 122.179 119.914 -0.007 0.000 2.439 80 V HA 0.475 4.595 4.120 -0.000 0.000 0.282 80 V C 0.556 176.797 176.094 0.247 0.000 1.039 80 V CA -0.674 61.562 62.300 -0.106 0.000 0.913 80 V CB 1.442 33.150 31.823 -0.192 0.000 0.983 80 V HN 0.998 nan 8.190 nan 0.000 0.460 81 S N 5.168 121.093 115.700 0.376 0.000 2.416 81 S HA 0.048 4.518 4.470 -0.000 0.000 0.302 81 S C 0.727 175.551 174.600 0.374 0.000 1.120 81 S CA -0.480 57.972 58.200 0.420 0.000 1.067 81 S CB -0.192 63.287 63.200 0.466 0.000 1.057 81 S HN 0.796 nan 8.310 nan 0.000 0.518 82 W N 7.608 128.888 121.300 -0.033 0.000 2.302 82 W HA -0.064 4.596 4.660 -0.000 0.000 0.320 82 W C -1.326 175.103 176.519 -0.151 0.000 1.241 82 W CA 1.368 58.417 57.345 -0.493 0.000 1.264 82 W CB -1.740 27.371 29.460 -0.582 0.000 1.154 82 W HN 0.591 nan 8.180 nan 0.000 0.483 83 P HA -0.130 nan 4.420 nan 0.000 0.236 83 P C 1.307 178.685 177.300 0.129 0.000 1.172 83 P CA 1.430 64.566 63.100 0.061 0.000 0.759 83 P CB -0.317 31.391 31.700 0.012 0.000 0.843 84 R N -0.924 119.703 120.500 0.211 0.000 2.189 84 R HA 0.122 4.462 4.340 -0.000 0.000 0.203 84 R C 2.018 178.438 176.300 0.201 0.000 1.012 84 R CA 0.430 56.661 56.100 0.219 0.000 1.015 84 R CB 0.000 30.514 30.300 0.356 0.000 0.938 84 R HN 0.161 nan 8.270 nan 0.000 0.472 85 I N -0.537 120.163 120.570 0.217 0.000 2.429 85 I HA -0.010 4.160 4.170 -0.000 0.000 0.247 85 I C 0.338 176.281 176.117 -0.290 0.000 1.099 85 I CA 1.157 62.484 61.300 0.044 0.000 1.422 85 I CB -0.199 37.941 38.000 0.233 0.000 1.112 85 I HN -0.094 nan 8.210 nan 0.000 0.430 86 F N 1.444 121.542 119.950 0.246 0.000 2.686 86 F HA 0.382 4.909 4.527 -0.000 0.000 0.365 86 F C -1.736 174.095 175.800 0.053 0.000 1.196 86 F CA -2.079 56.026 58.000 0.176 0.000 1.198 86 F CB 0.635 39.797 39.000 0.270 0.000 1.454 86 F HN -0.163 nan 8.300 nan 0.000 0.539 87 P HA -0.238 nan 4.420 nan 0.000 0.217 87 P C 1.475 178.783 177.300 0.012 0.000 1.148 87 P CA 1.535 64.669 63.100 0.057 0.000 0.834 87 P CB 0.328 32.057 31.700 0.048 0.000 0.783 88 N N -2.096 116.634 118.700 0.050 0.000 2.395 88 N HA 0.010 4.750 4.740 -0.000 0.000 0.175 88 N C 1.380 176.844 175.510 -0.077 0.000 1.029 88 N CA 1.517 54.564 53.050 -0.005 0.000 0.897 88 N CB -0.185 38.322 38.487 0.035 0.000 0.991 88 N HN 0.119 nan 8.380 nan 0.000 0.441 89 G N -0.580 108.206 108.800 -0.023 0.000 2.308 89 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 89 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 89 G C 0.831 175.731 174.900 0.001 0.000 1.032 89 G CA 0.484 45.493 45.100 -0.150 0.000 0.623 89 G HN 0.431 nan 8.290 nan 0.000 0.506 90 D N 0.417 120.802 120.400 -0.025 0.000 2.482 90 D HA 0.296 4.936 4.640 -0.000 0.000 0.251 90 D C 2.039 178.323 176.300 -0.026 0.000 1.073 90 D CA 1.310 55.267 54.000 -0.072 0.000 0.892 90 D CB -0.209 40.559 40.800 -0.054 0.000 1.202 90 D HN 0.563 nan 8.370 nan 0.000 0.496 91 G N 1.098 109.953 108.800 0.092 0.000 2.313 91 G HA2 0.004 3.963 3.960 -0.000 0.000 0.283 91 G HA3 0.004 3.963 3.960 -0.000 0.000 0.283 91 G C 0.397 175.474 174.900 0.295 0.000 1.476 91 G CA -0.112 45.079 45.100 0.153 0.000 1.054 91 G HN 0.152 nan 8.290 nan 0.000 0.550 92 E N -0.517 119.845 120.200 0.269 0.000 2.318 92 E HA 0.304 4.654 4.350 -0.000 0.000 0.265 92 E C -0.219 176.545 176.600 0.272 0.000 1.069 92 E CA -0.716 55.856 56.400 0.286 0.000 0.893 92 E CB 1.283 31.073 29.700 0.151 0.000 1.076 92 E HN 0.125 nan 8.360 nan 0.000 0.414 93 V N 2.053 122.053 119.914 0.143 0.000 2.740 93 V HA -0.012 4.108 4.120 -0.000 0.000 0.303 93 V C 0.620 176.646 176.094 -0.113 0.000 1.054 93 V CA -0.478 61.671 62.300 -0.252 0.000 1.106 93 V CB 0.156 31.878 31.823 -0.168 0.000 0.957 93 V HN 0.663 nan 8.190 nan 0.000 0.486 94 N N 3.048 121.657 118.700 -0.152 0.000 2.500 94 N HA 0.133 4.872 4.740 -0.000 0.000 0.236 94 N C 0.710 176.232 175.510 0.020 0.000 1.022 94 N CA -0.313 52.724 53.050 -0.022 0.000 0.935 94 N CB 1.468 39.960 38.487 0.009 0.000 1.147 94 N HN 0.698 nan 8.380 nan 0.000 0.512 95 Q N 2.482 122.306 119.800 0.040 0.000 2.226 95 Q HA -0.109 4.230 4.340 -0.000 0.000 0.204 95 Q C 1.103 177.172 176.000 0.116 0.000 0.975 95 Q CA 1.637 57.485 55.803 0.074 0.000 0.866 95 Q CB 0.122 28.894 28.738 0.056 0.000 0.915 95 Q HN 0.700 nan 8.270 nan 0.000 0.440 96 E N -1.367 118.898 120.200 0.108 0.000 2.077 96 E HA -0.092 4.257 4.350 -0.000 0.000 0.193 96 E C 1.706 178.424 176.600 0.197 0.000 0.989 96 E CA 1.322 57.804 56.400 0.137 0.000 0.800 96 E CB -0.594 29.176 29.700 0.116 0.000 0.746 96 E HN 0.534 nan 8.360 nan 0.000 0.452 97 G N 0.390 109.312 108.800 0.203 0.000 2.421 97 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 97 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 97 G C 1.508 176.646 174.900 0.397 0.000 1.171 97 G CA 0.717 45.995 45.100 0.298 0.000 0.775 97 G HN 0.192 nan 8.290 nan 0.000 0.543 98 L N 0.491 121.924 121.223 0.350 0.000 2.083 98 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 98 L C 2.554 179.698 176.870 0.457 0.000 1.083 98 L CA 1.162 56.262 54.840 0.434 0.000 0.752 98 L CB -0.370 41.882 42.059 0.322 0.000 0.899 98 L HN 0.118 nan 8.230 nan 0.000 0.433 99 D N -0.840 119.763 120.400 0.338 0.000 2.123 99 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 99 D C 1.860 178.265 176.300 0.174 0.000 0.992 99 D CA 1.285 55.451 54.000 0.277 0.000 0.833 99 D CB -0.272 40.627 40.800 0.165 0.000 0.954 99 D HN 0.311 nan 8.370 nan 0.000 0.455 100 Y N 0.974 121.245 120.300 -0.049 0.000 2.097 100 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 100 Y C 2.002 177.656 175.900 -0.409 0.000 1.152 100 Y CA 1.512 59.394 58.100 -0.365 0.000 1.136 100 Y CB -0.914 37.231 38.460 -0.525 0.000 0.975 100 Y HN -0.028 nan 8.280 nan 0.000 0.498 101 Y N -0.612 119.519 120.300 -0.282 0.000 2.403 101 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 101 Y C 2.490 178.292 175.900 -0.163 0.000 1.143 101 Y CA 1.787 59.642 58.100 -0.409 0.000 1.257 101 Y CB -0.899 37.423 38.460 -0.230 0.000 0.984 101 Y HN 0.355 nan 8.280 nan 0.000 0.550 102 H N -1.045 118.176 119.070 0.253 0.000 2.395 102 H HA -0.018 4.537 4.556 -0.000 0.000 0.299 102 H C 2.208 177.540 175.328 0.007 0.000 1.070 102 H CA 1.092 57.286 56.048 0.244 0.000 1.356 102 H CB 0.141 29.970 29.762 0.112 0.000 1.401 102 H HN 0.140 nan 8.280 nan 0.000 0.524 103 R N -0.063 120.411 120.500 -0.042 0.000 2.073 103 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 103 R C 2.219 178.357 176.300 -0.270 0.000 1.134 103 R CA 1.396 57.407 56.100 -0.149 0.000 0.952 103 R CB -0.357 29.786 30.300 -0.262 0.000 0.850 103 R HN 0.147 nan 8.270 nan 0.000 0.433 104 V N 0.571 120.135 119.914 -0.584 0.000 2.237 104 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 104 V C 2.419 178.354 176.094 -0.264 0.000 1.046 104 V CA 1.751 63.729 62.300 -0.537 0.000 1.007 104 V CB -0.478 30.853 31.823 -0.820 0.000 0.638 104 V HN 0.112 nan 8.190 nan 0.000 0.445 105 V N 0.422 120.209 119.914 -0.211 0.000 2.332 105 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 105 V C 2.311 178.422 176.094 0.028 0.000 1.055 105 V CA 2.321 64.582 62.300 -0.063 0.000 1.038 105 V CB -0.805 31.057 31.823 0.064 0.000 0.651 105 V HN 0.572 nan 8.190 nan 0.000 0.450 106 D N -0.331 120.108 120.400 0.064 0.000 2.117 106 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 106 D C 1.964 178.291 176.300 0.045 0.000 0.987 106 D CA 0.984 55.028 54.000 0.073 0.000 0.829 106 D CB -0.319 40.531 40.800 0.085 0.000 0.961 106 D HN 0.267 nan 8.370 nan 0.000 0.460 107 L N 0.706 121.948 121.223 0.032 0.000 2.017 107 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 107 L C 2.300 179.181 176.870 0.018 0.000 1.073 107 L CA 1.267 56.130 54.840 0.038 0.000 0.745 107 L CB -0.791 41.316 42.059 0.079 0.000 0.894 107 L HN 0.049 nan 8.230 nan 0.000 0.432 108 L N -0.750 120.473 121.223 0.000 0.000 1.989 108 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 108 L C 2.363 179.254 176.870 0.035 0.000 1.071 108 L CA 1.454 56.301 54.840 0.011 0.000 0.749 108 L CB -0.809 41.264 42.059 0.024 0.000 0.890 108 L HN 0.350 nan 8.230 nan 0.000 0.431 109 N N -0.007 118.719 118.700 0.042 0.000 2.104 109 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 109 N C 1.459 176.993 175.510 0.040 0.000 1.024 109 N CA 1.480 54.559 53.050 0.048 0.000 0.853 109 N CB -0.442 38.078 38.487 0.055 0.000 1.008 109 N HN 0.312 nan 8.380 nan 0.000 0.424 110 D N 0.627 121.048 120.400 0.035 0.000 2.182 110 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 110 D C 0.856 177.171 176.300 0.025 0.000 0.986 110 D CA 0.774 54.791 54.000 0.029 0.000 0.847 110 D CB -0.275 40.541 40.800 0.028 0.000 0.942 110 D HN 0.287 nan 8.370 nan 0.000 0.467 111 N N -0.221 118.493 118.700 0.024 0.000 2.268 111 N HA 0.085 4.825 4.740 -0.000 0.000 0.204 111 N C 0.923 176.449 175.510 0.027 0.000 1.124 111 N CA 0.485 53.546 53.050 0.019 0.000 0.838 111 N CB 1.118 39.610 38.487 0.007 0.000 0.994 111 N HN 0.129 nan 8.380 nan 0.000 0.489 112 G N 1.478 110.300 108.800 0.037 0.000 2.179 112 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 112 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 112 G C 0.014 174.950 174.900 0.060 0.000 1.010 112 G CA 0.058 45.186 45.100 0.046 0.000 0.736 112 G HN 0.355 nan 8.290 nan 0.000 0.513 113 I N 0.672 121.280 120.570 0.064 0.000 2.339 113 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 113 I C 0.373 176.560 176.117 0.117 0.000 0.994 113 I CA -0.671 60.684 61.300 0.091 0.000 1.191 113 I CB 1.264 39.312 38.000 0.080 0.000 1.343 113 I HN 0.100 nan 8.210 nan 0.000 0.458 114 E N 7.941 128.226 120.200 0.140 0.000 2.257 114 E HA 0.203 4.553 4.350 -0.000 0.000 0.278 114 E C -2.337 174.384 176.600 0.203 0.000 1.049 114 E CA -1.724 54.772 56.400 0.160 0.000 0.876 114 E CB 0.321 30.136 29.700 0.190 0.000 1.035 114 E HN 0.264 nan 8.360 nan 0.000 0.419 115 P HA 0.006 nan 4.420 nan 0.000 0.271 115 P C -1.088 176.292 177.300 0.133 0.000 1.216 115 P CA 0.065 63.316 63.100 0.253 0.000 0.776 115 P CB 0.325 32.145 31.700 0.200 0.000 0.881 116 F N 3.549 123.474 119.950 -0.041 0.000 2.532 116 F HA 0.319 4.846 4.527 0.000 0.000 0.365 116 F C -0.503 174.996 175.800 -0.502 0.000 1.112 116 F CA -0.881 56.985 58.000 -0.225 0.000 1.082 116 F CB 0.463 39.336 39.000 -0.211 0.000 1.319 116 F HN 0.254 nan 8.300 nan 0.000 0.457 117 C N 4.447 123.402 119.300 -0.575 0.000 2.394 117 C HA 0.566 5.026 4.460 -0.000 0.000 0.362 117 C C 0.302 175.055 174.990 -0.395 0.000 1.268 117 C CA 0.065 58.575 59.018 -0.847 0.000 1.828 117 C CB -0.804 26.365 27.740 -0.952 0.000 2.442 117 C HN 0.834 nan 8.230 nan 0.000 0.549 118 T N 8.369 122.682 114.554 -0.401 0.000 2.781 118 T HA 0.237 4.587 4.350 -0.000 0.000 0.305 118 T C 1.314 175.975 174.700 -0.065 0.000 1.001 118 T CA -0.288 61.749 62.100 -0.104 0.000 0.950 118 T CB 0.883 69.746 68.868 -0.008 0.000 0.955 118 T HN 0.631 nan 8.240 nan 0.000 0.471 119 L N 1.971 123.200 121.223 0.011 0.000 2.017 119 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 119 L C 0.533 177.609 176.870 0.344 0.000 1.073 119 L CA 1.274 56.128 54.840 0.024 0.000 0.745 119 L CB -0.123 41.860 42.059 -0.126 0.000 0.894 119 L HN 0.580 nan 8.230 nan 0.000 0.432 120 Y N -0.441 119.957 120.300 0.163 0.000 2.345 120 Y HA 0.295 4.845 4.550 -0.000 0.000 0.331 120 Y C -0.171 175.904 175.900 0.290 0.000 0.959 120 Y CA -0.815 57.464 58.100 0.298 0.000 1.204 120 Y CB 0.440 38.955 38.460 0.092 0.000 1.135 120 Y HN -0.007 nan 8.280 nan 0.000 0.477 121 H N 7.103 126.093 119.070 -0.134 0.000 2.471 121 H HA 0.142 4.698 4.556 -0.000 0.000 0.234 121 H C -0.701 174.445 175.328 -0.304 0.000 1.388 121 H CA -0.373 55.534 56.048 -0.236 0.000 1.198 121 H CB -0.193 29.457 29.762 -0.187 0.000 1.714 121 H HN 0.991 nan 8.280 nan 0.000 0.536 122 W N -0.164 120.854 121.300 -0.470 0.000 1.446 122 W HA -0.237 4.423 4.660 -0.000 0.000 0.238 122 W C 0.076 176.624 176.519 0.049 0.000 0.976 122 W CA 0.811 58.047 57.345 -0.181 0.000 0.404 122 W CB -2.277 27.163 29.460 -0.033 0.000 1.980 122 W HN 0.514 nan 8.180 nan 0.000 1.274 123 D N 1.279 121.785 120.400 0.178 0.000 2.713 123 D HA 0.392 5.032 4.640 -0.000 0.000 0.229 123 D C 0.265 176.721 176.300 0.260 0.000 1.136 123 D CA -0.232 53.928 54.000 0.267 0.000 1.010 123 D CB -0.489 40.467 40.800 0.260 0.000 1.084 123 D HN 0.080 nan 8.370 nan 0.000 0.495 124 L N 1.048 122.469 121.223 0.331 0.000 2.455 124 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 124 L C -2.404 174.363 176.870 -0.171 0.000 1.174 124 L CA -1.546 53.388 54.840 0.157 0.000 0.869 124 L CB 0.386 42.581 42.059 0.226 0.000 1.130 124 L HN 0.005 nan 8.230 nan 0.000 0.474 125 P HA 0.001 nan 4.420 nan 0.000 0.264 125 P C -0.194 176.943 177.300 -0.272 0.000 1.193 125 P CA 0.047 62.915 63.100 -0.388 0.000 0.763 125 P CB 0.712 32.054 31.700 -0.597 0.000 0.810 126 Q N 5.032 124.739 119.800 -0.154 0.000 2.152 126 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 126 Q C 1.946 177.870 176.000 -0.128 0.000 0.985 126 Q CA 2.536 58.272 55.803 -0.112 0.000 0.863 126 Q CB -1.193 27.512 28.738 -0.055 0.000 0.904 126 Q HN 0.511 nan 8.270 nan 0.000 0.422 127 A N 0.141 122.879 122.820 -0.136 0.000 1.892 127 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 127 A C 2.130 179.622 177.584 -0.153 0.000 1.188 127 A CA 1.802 53.764 52.037 -0.124 0.000 0.631 127 A CB -0.919 18.013 19.000 -0.114 0.000 0.822 127 A HN 0.476 nan 8.150 nan 0.000 0.447 128 L N -1.381 119.705 121.223 -0.228 0.000 2.141 128 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 128 L C 2.804 179.544 176.870 -0.216 0.000 1.094 128 L CA 1.549 56.235 54.840 -0.256 0.000 0.763 128 L CB -0.468 41.348 42.059 -0.405 0.000 0.908 128 L HN 0.470 nan 8.230 nan 0.000 0.437 129 Q N 0.378 120.060 119.800 -0.196 0.000 2.167 129 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 129 Q C 1.689 177.625 176.000 -0.107 0.000 0.970 129 Q CA 1.553 57.269 55.803 -0.145 0.000 0.855 129 Q CB -0.087 28.579 28.738 -0.120 0.000 0.911 129 Q HN 0.370 nan 8.270 nan 0.000 0.438 130 D N -0.298 120.042 120.400 -0.099 0.000 2.144 130 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 130 D C 1.057 177.315 176.300 -0.071 0.000 0.984 130 D CA 1.478 55.434 54.000 -0.074 0.000 0.834 130 D CB -0.209 40.552 40.800 -0.065 0.000 0.955 130 D HN 0.407 nan 8.370 nan 0.000 0.465 131 A N -0.681 122.087 122.820 -0.087 0.000 2.259 131 A HA 0.431 4.751 4.320 -0.000 0.000 0.208 131 A C 1.688 179.228 177.584 -0.074 0.000 1.201 131 A CA 1.137 53.128 52.037 -0.077 0.000 0.824 131 A CB 0.004 18.952 19.000 -0.087 0.000 0.838 131 A HN 0.286 nan 8.150 nan 0.000 0.485 132 G N -2.891 105.863 108.800 -0.077 0.000 2.255 132 G HA2 0.232 4.192 3.960 -0.000 0.000 0.196 132 G HA3 0.232 4.192 3.960 -0.000 0.000 0.196 132 G C 1.477 176.337 174.900 -0.067 0.000 0.998 132 G CA 0.537 45.601 45.100 -0.059 0.000 0.656 132 G HN 2.110 nan 8.290 nan 0.000 0.490 133 G N -0.312 108.410 108.800 -0.130 0.000 2.566 133 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.280 133 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.280 133 G C 0.840 175.634 174.900 -0.178 0.000 1.225 133 G CA 0.934 45.913 45.100 -0.203 0.000 0.966 133 G HN 1.039 nan 8.290 nan 0.000 0.560 134 W N 1.547 122.854 121.300 0.011 0.000 2.721 134 W HA 0.261 4.921 4.660 -0.000 0.000 0.245 134 W C 2.573 179.177 176.519 0.142 0.000 1.276 134 W CA 0.603 57.974 57.345 0.045 0.000 1.342 134 W CB -0.156 29.283 29.460 -0.036 0.000 1.135 134 W HN 0.712 nan 8.180 nan 0.000 0.654 135 G N -0.404 108.544 108.800 0.246 0.000 2.650 135 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.214 135 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.214 135 G C 0.427 175.481 174.900 0.257 0.000 1.136 135 G CA 0.036 45.273 45.100 0.227 0.000 0.789 135 G HN -0.007 nan 8.290 nan 0.000 0.536 136 N N 0.186 118.956 118.700 0.117 0.000 2.424 136 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 136 N C 1.180 176.607 175.510 -0.138 0.000 0.985 136 N CA -0.586 52.453 53.050 -0.019 0.000 0.921 136 N CB 1.121 39.578 38.487 -0.050 0.000 1.149 136 N HN 0.021 nan 8.380 nan 0.000 0.492 137 R N 1.933 122.259 120.500 -0.290 0.000 2.303 137 R HA -0.044 4.296 4.340 -0.000 0.000 0.225 137 R C 1.573 177.793 176.300 -0.132 0.000 1.114 137 R CA 0.727 56.628 56.100 -0.331 0.000 1.007 137 R CB 0.156 30.274 30.300 -0.304 0.000 0.861 137 R HN 0.516 nan 8.270 nan 0.000 0.471 138 R N 0.187 120.627 120.500 -0.101 0.000 2.148 138 R HA -0.076 4.264 4.340 -0.000 0.000 0.227 138 R C 1.475 177.740 176.300 -0.058 0.000 1.103 138 R CA 1.403 57.463 56.100 -0.065 0.000 0.983 138 R CB -0.014 30.247 30.300 -0.065 0.000 0.874 138 R HN 0.160 nan 8.270 nan 0.000 0.451 139 T N 1.149 115.638 114.554 -0.109 0.000 2.833 139 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 139 T C 1.778 176.467 174.700 -0.018 0.000 1.054 139 T CA 1.021 63.010 62.100 -0.185 0.000 1.135 139 T CB -0.069 68.506 68.868 -0.489 0.000 0.869 139 T HN 0.210 nan 8.240 nan 0.000 0.466 140 I N 1.092 121.722 120.570 0.100 0.000 2.208 140 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 140 I C 2.765 179.025 176.117 0.238 0.000 1.097 140 I CA 1.457 62.924 61.300 0.278 0.000 1.363 140 I CB -0.423 37.679 38.000 0.170 0.000 1.051 140 I HN 0.324 nan 8.210 nan 0.000 0.413 141 Q N 0.522 120.392 119.800 0.117 0.000 2.083 141 Q HA -0.131 4.209 4.340 -0.000 0.000 0.198 141 Q C 2.518 178.564 176.000 0.077 0.000 0.969 141 Q CA 1.509 57.357 55.803 0.076 0.000 0.838 141 Q CB -0.252 28.500 28.738 0.023 0.000 0.900 141 Q HN 0.567 nan 8.270 nan 0.000 0.436 142 A N 0.761 123.645 122.820 0.107 0.000 1.908 142 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 142 A C 1.878 179.603 177.584 0.235 0.000 1.181 142 A CA 1.281 53.415 52.037 0.162 0.000 0.627 142 A CB -0.828 18.309 19.000 0.228 0.000 0.818 142 A HN 0.439 nan 8.150 nan 0.000 0.445 143 F N 0.725 120.774 119.950 0.165 0.000 2.102 143 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 143 F C 2.251 178.010 175.800 -0.069 0.000 1.105 143 F CA 1.977 59.949 58.000 -0.048 0.000 1.239 143 F CB -0.248 38.897 39.000 0.242 0.000 0.991 143 F HN 0.028 nan 8.300 nan 0.000 0.474 144 V N 0.587 120.537 119.914 0.060 0.000 2.392 144 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 144 V C 2.396 178.364 176.094 -0.209 0.000 1.059 144 V CA 2.232 64.493 62.300 -0.065 0.000 1.051 144 V CB -0.949 30.906 31.823 0.053 0.000 0.658 144 V HN 0.493 nan 8.190 nan 0.000 0.455 145 Q N -0.605 119.093 119.800 -0.170 0.000 2.050 145 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 145 Q C 2.241 178.127 176.000 -0.190 0.000 0.980 145 Q CA 2.094 57.782 55.803 -0.191 0.000 0.840 145 Q CB -0.244 28.331 28.738 -0.271 0.000 0.898 145 Q HN 0.578 nan 8.270 nan 0.000 0.424 146 F N 1.110 120.781 119.950 -0.466 0.000 2.065 146 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 146 F C 2.068 177.517 175.800 -0.586 0.000 1.112 146 F CA 1.678 59.408 58.000 -0.450 0.000 1.212 146 F CB -1.046 37.312 39.000 -1.070 0.000 0.975 146 F HN 0.156 nan 8.300 nan 0.000 0.476 147 A N 0.204 122.342 122.820 -1.137 0.000 1.883 147 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 147 A C 2.164 178.947 177.584 -1.336 0.000 1.186 147 A CA 2.012 53.192 52.037 -1.428 0.000 0.624 147 A CB -1.091 17.212 19.000 -1.162 0.000 0.822 147 A HN 0.592 nan 8.150 nan 0.000 0.444 148 E N -0.927 118.864 120.200 -0.682 0.000 2.058 148 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 148 E C 2.140 178.625 176.600 -0.192 0.000 0.997 148 E CA 1.689 57.900 56.400 -0.314 0.000 0.801 148 E CB -0.445 29.182 29.700 -0.121 0.000 0.746 148 E HN 0.624 nan 8.360 nan 0.000 0.450 149 T N 1.252 115.737 114.554 -0.115 0.000 2.665 149 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 149 T C 1.819 176.540 174.700 0.035 0.000 1.035 149 T CA 1.377 63.509 62.100 0.053 0.000 1.151 149 T CB -0.082 68.945 68.868 0.265 0.000 0.862 149 T HN 0.091 nan 8.240 nan 0.000 0.438 150 M N 0.269 119.797 119.600 -0.121 0.000 2.132 150 M HA 0.053 4.533 4.480 -0.000 0.000 0.263 150 M C 2.082 178.565 176.300 0.304 0.000 1.065 150 M CA 1.327 56.683 55.300 0.094 0.000 1.122 150 M CB -1.389 31.090 32.600 -0.202 0.000 1.365 150 M HN 0.202 nan 8.290 nan 0.000 0.411 151 F N 0.947 120.840 119.950 -0.095 0.000 2.126 151 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 151 F C 2.582 178.385 175.800 0.004 0.000 1.096 151 F CA 1.218 59.081 58.000 -0.227 0.000 1.255 151 F CB -1.218 37.565 39.000 -0.360 0.000 0.997 151 F HN 0.220 nan 8.300 nan 0.000 0.479 152 R N -0.245 120.365 120.500 0.183 0.000 2.075 152 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 152 R C 2.069 178.448 176.300 0.131 0.000 1.114 152 R CA 0.945 57.108 56.100 0.106 0.000 0.972 152 R CB -0.364 29.962 30.300 0.043 0.000 0.869 152 R HN 0.143 nan 8.270 nan 0.000 0.437 153 E N 0.326 120.602 120.200 0.127 0.000 2.077 153 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 153 E C 0.974 177.466 176.600 -0.180 0.000 0.989 153 E CA 1.261 57.644 56.400 -0.028 0.000 0.800 153 E CB 0.057 29.703 29.700 -0.090 0.000 0.746 153 E HN 0.271 nan 8.360 nan 0.000 0.452 154 F N -0.176 119.962 119.950 0.313 0.000 2.684 154 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 154 F C 1.607 177.631 175.800 0.373 0.000 1.120 154 F CA -0.347 57.843 58.000 0.317 0.000 1.332 154 F CB -0.294 38.859 39.000 0.254 0.000 0.986 154 F HN 0.113 nan 8.300 nan 0.000 0.524 155 H N 0.845 120.108 119.070 0.322 0.000 2.699 155 H HA -0.253 4.303 4.556 -0.000 0.000 0.288 155 H C 2.073 177.531 175.328 0.217 0.000 1.055 155 H CA 1.855 58.042 56.048 0.232 0.000 1.125 155 H CB -0.434 29.379 29.762 0.086 0.000 1.520 155 H HN 0.355 nan 8.280 nan 0.000 0.747 156 G N -0.539 108.103 108.800 -0.263 0.000 3.155 156 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.213 156 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.213 156 G C 1.251 176.124 174.900 -0.046 0.000 1.196 156 G CA -0.034 44.901 45.100 -0.275 0.000 0.846 156 G HN 0.464 nan 8.290 nan 0.000 0.516 157 K N -0.660 119.786 120.400 0.076 0.000 2.335 157 K HA 0.297 4.617 4.320 -0.000 0.000 0.195 157 K C 0.348 176.976 176.600 0.046 0.000 1.058 157 K CA 0.294 56.648 56.287 0.111 0.000 0.988 157 K CB 0.716 33.366 32.500 0.250 0.000 0.880 157 K HN 0.254 nan 8.250 nan 0.000 0.513 158 I N 1.463 122.033 120.570 0.000 0.000 2.474 158 I HA 0.134 4.303 4.170 -0.000 0.000 0.294 158 I C 0.342 176.313 176.117 -0.244 0.000 1.005 158 I CA -0.501 60.636 61.300 -0.272 0.000 1.113 158 I CB 1.991 39.520 38.000 -0.785 0.000 1.289 158 I HN -0.028 nan 8.210 nan 0.000 0.436 159 Q N 3.937 123.510 119.800 -0.378 0.000 2.189 159 Q HA 0.278 4.618 4.340 -0.000 0.000 0.223 159 Q C -0.487 175.011 176.000 -0.836 0.000 0.828 159 Q CA 0.265 55.805 55.803 -0.439 0.000 0.967 159 Q CB 1.037 29.491 28.738 -0.473 0.000 1.139 159 Q HN 0.569 nan 8.270 nan 0.000 0.497 160 H N -1.052 117.641 119.070 -0.628 0.000 2.782 160 H HA 0.332 4.888 4.556 0.000 0.000 0.347 160 H C -1.180 173.588 175.328 -0.934 0.000 1.038 160 H CA -0.472 55.035 56.048 -0.902 0.000 1.255 160 H CB 0.838 29.531 29.762 -1.782 0.000 1.623 160 H HN -0.041 nan 8.280 nan 0.000 0.525 161 W N 2.703 123.728 121.300 -0.458 0.000 2.936 161 W HA 0.620 5.280 4.660 -0.000 0.000 0.338 161 W C -0.911 175.493 176.519 -0.191 0.000 1.121 161 W CA -0.621 56.554 57.345 -0.284 0.000 1.209 161 W CB 1.712 31.021 29.460 -0.251 0.000 1.420 161 W HN 0.249 nan 8.180 nan 0.000 0.516 162 L N 1.938 123.264 121.223 0.172 0.000 2.408 162 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 162 L C 1.178 178.137 176.870 0.148 0.000 0.986 162 L CA -0.653 54.280 54.840 0.155 0.000 0.820 162 L CB 2.432 44.590 42.059 0.164 0.000 1.303 162 L HN 0.721 nan 8.230 nan 0.000 0.411 163 T N -0.582 114.072 114.554 0.167 0.000 2.684 163 T HA 0.114 4.464 4.350 -0.000 0.000 0.253 163 T C 0.384 174.957 174.700 -0.210 0.000 1.057 163 T CA 0.919 63.075 62.100 0.094 0.000 1.162 163 T CB -0.094 68.981 68.868 0.345 0.000 0.868 163 T HN 0.130 nan 8.240 nan 0.000 0.409 164 F N 1.569 121.582 119.950 0.103 0.000 2.522 164 F HA 0.527 5.054 4.527 -0.000 0.000 0.324 164 F C 0.194 176.022 175.800 0.047 0.000 1.077 164 F CA -1.488 56.555 58.000 0.072 0.000 0.944 164 F CB 1.527 40.442 39.000 -0.142 0.000 1.175 164 F HN 0.182 nan 8.300 nan 0.000 0.468 165 N N 2.215 121.054 118.700 0.231 0.000 2.443 165 N HA 0.166 4.906 4.740 -0.000 0.000 0.269 165 N C -1.216 174.399 175.510 0.175 0.000 0.985 165 N CA -0.118 52.963 53.050 0.053 0.000 0.921 165 N CB 0.918 39.229 38.487 -0.293 0.000 1.195 165 N HN 0.806 nan 8.380 nan 0.000 0.492 166 E N 1.595 121.870 120.200 0.124 0.000 2.313 166 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 166 E C -2.037 174.546 176.600 -0.028 0.000 1.406 166 E CA -0.194 56.290 56.400 0.141 0.000 0.668 166 E CB -0.783 29.114 29.700 0.328 0.000 1.135 166 E HN 0.582 nan 8.360 nan 0.000 0.375 167 P HA -0.197 nan 4.420 nan 0.000 0.217 167 P C 1.176 178.119 177.300 -0.595 0.000 1.148 167 P CA 1.256 63.920 63.100 -0.727 0.000 0.828 167 P CB -0.004 30.782 31.700 -1.524 0.000 0.783 168 W N -0.220 120.816 121.300 -0.440 0.000 2.355 168 W HA -0.231 4.429 4.660 -0.000 0.000 0.309 168 W C 2.051 178.492 176.519 -0.129 0.000 1.206 168 W CA 1.447 58.779 57.345 -0.023 0.000 1.284 168 W CB -0.985 28.339 29.460 -0.227 0.000 1.145 168 W HN -0.071 nan 8.180 nan 0.000 0.502 169 C N 0.100 119.312 119.300 -0.148 0.000 2.446 169 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 169 C C 2.681 177.247 174.990 -0.707 0.000 1.275 169 C CA 1.100 59.835 59.018 -0.471 0.000 1.727 169 C CB -1.480 26.009 27.740 -0.418 0.000 2.010 169 C HN 0.345 nan 8.230 nan 0.000 0.486 170 I N 1.359 121.540 120.570 -0.649 0.000 2.208 170 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 170 I C 2.653 178.457 176.117 -0.522 0.000 1.097 170 I CA 1.837 62.795 61.300 -0.570 0.000 1.363 170 I CB -0.480 37.293 38.000 -0.378 0.000 1.051 170 I HN 0.334 nan 8.210 nan 0.000 0.413 171 A N 0.471 122.951 122.820 -0.566 0.000 1.859 171 A HA 0.001 4.321 4.320 -0.000 0.000 0.212 171 A C 1.954 178.992 177.584 -0.909 0.000 1.238 171 A CA 0.852 52.467 52.037 -0.703 0.000 0.613 171 A CB -0.907 17.660 19.000 -0.721 0.000 0.904 171 A HN 0.243 nan 8.150 nan 0.000 0.457 172 F N -0.592 118.926 119.950 -0.721 0.000 2.187 172 F HA 0.043 4.570 4.527 -0.000 0.000 0.295 172 F C 2.027 177.306 175.800 -0.868 0.000 1.091 172 F CA 0.997 58.487 58.000 -0.850 0.000 1.308 172 F CB -0.518 37.897 39.000 -0.975 0.000 1.030 172 F HN 0.225 nan 8.300 nan 0.000 0.487 173 L N -0.462 120.193 121.223 -0.947 0.000 2.093 173 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 173 L C 2.251 178.832 176.870 -0.482 0.000 1.085 173 L CA 1.726 56.159 54.840 -0.679 0.000 0.755 173 L CB -0.870 40.775 42.059 -0.691 0.000 0.904 173 L HN -0.024 nan 8.230 nan 0.000 0.435 174 S N -0.295 115.096 115.700 -0.517 0.000 2.395 174 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 174 S C 1.556 175.924 174.600 -0.387 0.000 1.027 174 S CA 1.150 59.086 58.200 -0.440 0.000 0.965 174 S CB -0.236 62.689 63.200 -0.458 0.000 0.812 174 S HN 0.551 nan 8.310 nan 0.000 0.482 175 N N -0.192 118.259 118.700 -0.414 0.000 2.250 175 N HA 0.223 4.963 4.740 -0.000 0.000 0.190 175 N C 1.306 176.601 175.510 -0.358 0.000 1.116 175 N CA 0.287 53.120 53.050 -0.360 0.000 0.881 175 N CB 0.338 38.602 38.487 -0.370 0.000 1.006 175 N HN 0.286 nan 8.380 nan 0.000 0.491 176 M N 0.215 119.572 119.600 -0.406 0.000 2.858 176 M HA 0.265 4.745 4.480 -0.000 0.000 0.255 176 M C 1.251 177.353 176.300 -0.330 0.000 1.336 176 M CA 1.172 56.218 55.300 -0.423 0.000 1.220 176 M CB -0.000 32.247 32.600 -0.588 0.000 1.252 176 M HN -0.116 nan 8.290 nan 0.000 0.538 177 L N -0.453 120.606 121.223 -0.275 0.000 2.477 177 L HA 0.358 4.698 4.340 -0.000 0.000 0.220 177 L C 1.320 178.127 176.870 -0.105 0.000 1.106 177 L CA 0.493 55.245 54.840 -0.147 0.000 0.851 177 L CB -0.601 41.411 42.059 -0.077 0.000 0.994 177 L HN 0.612 nan 8.230 nan 0.000 0.462 178 G N 0.241 108.951 108.800 -0.151 0.000 2.187 178 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 178 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 178 G C 0.779 175.686 174.900 0.012 0.000 1.000 178 G CA 0.543 45.589 45.100 -0.089 0.000 0.718 178 G HN 0.195 nan 8.290 nan 0.000 0.519 179 V N -0.769 119.137 119.914 -0.014 0.000 2.788 179 V HA 0.118 4.238 4.120 -0.000 0.000 0.251 179 V C 1.326 177.585 176.094 0.275 0.000 1.068 179 V CA 1.655 64.039 62.300 0.140 0.000 1.090 179 V CB -0.248 31.607 31.823 0.053 0.000 0.710 179 V HN 0.659 nan 8.190 nan 0.000 0.467 180 H N -1.393 117.512 119.070 -0.275 0.000 2.710 180 H HA 0.659 5.215 4.556 -0.000 0.000 0.361 180 H C 0.168 174.683 175.328 -1.355 0.000 1.175 180 H CA -0.655 55.044 56.048 -0.581 0.000 1.206 180 H CB 1.689 31.267 29.762 -0.308 0.000 1.750 180 H HN 0.335 nan 8.280 nan 0.000 0.553 181 A N 2.308 123.879 122.820 -2.081 0.000 2.531 181 A HA 0.030 4.350 4.320 -0.000 0.000 0.236 181 A C -1.586 175.502 177.584 -0.827 0.000 1.062 181 A CA -0.879 50.086 52.037 -1.786 0.000 0.760 181 A CB -0.143 17.734 19.000 -1.872 0.000 0.995 181 A HN 0.594 nan 8.150 nan 0.000 0.501 182 P HA 0.066 nan 4.420 nan 0.000 0.249 182 P C 0.807 177.892 177.300 -0.359 0.000 1.241 182 P CA 1.013 63.852 63.100 -0.434 0.000 0.781 182 P CB -0.066 31.502 31.700 -0.222 0.000 1.088 183 G N 0.021 108.532 108.800 -0.481 0.000 2.198 183 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 183 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 183 G C -0.100 174.742 174.900 -0.098 0.000 1.042 183 G CA -0.212 44.781 45.100 -0.178 0.000 0.791 183 G HN 0.297 nan 8.290 nan 0.000 0.502 184 L N -0.169 120.953 121.223 -0.169 0.000 2.439 184 L HA 0.739 5.079 4.340 -0.000 0.000 0.259 184 L C 1.137 177.908 176.870 -0.165 0.000 1.129 184 L CA -0.001 54.752 54.840 -0.144 0.000 0.803 184 L CB 1.499 43.463 42.059 -0.158 0.000 1.161 184 L HN 0.351 nan 8.230 nan 0.000 0.462 185 T N -1.855 112.610 114.554 -0.149 0.000 3.542 185 T HA 0.290 4.640 4.350 -0.000 0.000 0.276 185 T C -0.562 174.032 174.700 -0.177 0.000 1.412 185 T CA -0.689 61.311 62.100 -0.166 0.000 1.664 185 T CB -0.287 68.513 68.868 -0.113 0.000 0.863 185 T HN 0.533 nan 8.240 nan 0.000 0.661 186 N N 2.301 120.869 118.700 -0.220 0.000 2.500 186 N HA 0.257 4.997 4.740 -0.000 0.000 0.291 186 N C 0.540 175.884 175.510 -0.276 0.000 1.092 186 N CA -0.567 52.358 53.050 -0.209 0.000 0.890 186 N CB 2.237 40.626 38.487 -0.164 0.000 1.466 186 N HN 0.340 nan 8.380 nan 0.000 0.507 187 L N 2.397 123.450 121.223 -0.284 0.000 1.971 187 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 187 L C 2.187 178.856 176.870 -0.334 0.000 1.072 187 L CA 1.931 56.562 54.840 -0.348 0.000 0.758 187 L CB -0.076 41.816 42.059 -0.279 0.000 0.889 187 L HN 0.664 nan 8.230 nan 0.000 0.433 188 Q N -0.491 119.165 119.800 -0.239 0.000 2.096 188 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 188 Q C 1.904 177.773 176.000 -0.217 0.000 0.982 188 Q CA 2.689 58.371 55.803 -0.201 0.000 0.850 188 Q CB -0.406 28.252 28.738 -0.133 0.000 0.901 188 Q HN 0.441 nan 8.270 nan 0.000 0.422 189 T N 0.167 114.591 114.554 -0.216 0.000 2.746 189 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 189 T C 1.705 176.225 174.700 -0.300 0.000 1.039 189 T CA 1.400 63.374 62.100 -0.209 0.000 1.142 189 T CB -0.607 68.150 68.868 -0.186 0.000 0.866 189 T HN 0.476 nan 8.240 nan 0.000 0.444 190 A N 1.152 123.720 122.820 -0.420 0.000 1.902 190 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 190 A C 2.287 179.446 177.584 -0.709 0.000 1.181 190 A CA 1.224 52.861 52.037 -0.668 0.000 0.623 190 A CB -0.769 17.728 19.000 -0.837 0.000 0.818 190 A HN 0.530 nan 8.150 nan 0.000 0.443 191 I N -0.143 120.121 120.570 -0.510 0.000 2.252 191 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 191 I C 1.812 177.820 176.117 -0.180 0.000 1.102 191 I CA 1.367 62.501 61.300 -0.277 0.000 1.385 191 I CB -0.488 37.391 38.000 -0.203 0.000 1.064 191 I HN 0.250 nan 8.210 nan 0.000 0.414 192 D N 0.660 120.913 120.400 -0.245 0.000 2.097 192 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 192 D C 2.390 178.449 176.300 -0.402 0.000 0.989 192 D CA 1.166 54.965 54.000 -0.335 0.000 0.827 192 D CB -0.429 40.243 40.800 -0.212 0.000 0.966 192 D HN 0.127 nan 8.370 nan 0.000 0.456 193 V N 1.140 120.905 119.914 -0.248 0.000 2.287 193 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 193 V C 2.580 178.518 176.094 -0.259 0.000 1.053 193 V CA 2.138 64.328 62.300 -0.182 0.000 1.027 193 V CB -1.138 30.546 31.823 -0.233 0.000 0.646 193 V HN 0.256 nan 8.190 nan 0.000 0.447 194 G N -1.115 107.564 108.800 -0.202 0.000 2.446 194 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 194 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 194 G C 1.485 176.455 174.900 0.116 0.000 1.168 194 G CA 1.404 46.556 45.100 0.086 0.000 0.771 194 G HN 0.639 nan 8.290 nan 0.000 0.551 195 H N 0.024 119.076 119.070 -0.029 0.000 2.357 195 H HA -0.003 4.553 4.556 -0.000 0.000 0.301 195 H C 2.345 177.669 175.328 -0.008 0.000 1.082 195 H CA 1.883 57.929 56.048 -0.004 0.000 1.342 195 H CB -0.383 29.339 29.762 -0.068 0.000 1.389 195 H HN 0.609 nan 8.280 nan 0.000 0.511 196 H N -0.912 118.110 119.070 -0.079 0.000 2.423 196 H HA -0.060 4.496 4.556 -0.000 0.000 0.297 196 H C 2.129 177.315 175.328 -0.236 0.000 1.075 196 H CA 0.905 56.904 56.048 -0.081 0.000 1.342 196 H CB 0.141 29.997 29.762 0.156 0.000 1.395 196 H HN 0.386 nan 8.280 nan 0.000 0.530 197 L N -0.341 120.588 121.223 -0.489 0.000 2.156 197 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 197 L C 1.800 178.194 176.870 -0.793 0.000 1.095 197 L CA 1.381 55.506 54.840 -1.193 0.000 0.770 197 L CB -0.708 40.250 42.059 -1.834 0.000 0.914 197 L HN 0.177 nan 8.230 nan 0.000 0.439 198 L N -0.697 120.278 121.223 -0.414 0.000 2.056 198 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 198 L C 2.579 179.380 176.870 -0.115 0.000 1.078 198 L CA 0.901 55.618 54.840 -0.205 0.000 0.749 198 L CB -0.484 41.496 42.059 -0.131 0.000 0.901 198 L HN 0.190 nan 8.230 nan 0.000 0.433 199 V N 0.044 119.850 119.914 -0.180 0.000 2.295 199 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 199 V C 2.766 178.868 176.094 0.013 0.000 1.049 199 V CA 1.757 64.002 62.300 -0.091 0.000 1.024 199 V CB -0.925 30.838 31.823 -0.099 0.000 0.648 199 V HN 0.474 nan 8.190 nan 0.000 0.447 200 A N -0.372 122.476 122.820 0.046 0.000 1.908 200 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 200 A C 2.261 179.987 177.584 0.237 0.000 1.181 200 A CA 2.210 54.365 52.037 0.198 0.000 0.627 200 A CB -0.964 18.183 19.000 0.246 0.000 0.818 200 A HN 0.757 nan 8.150 nan 0.000 0.445 201 H N -0.264 118.873 119.070 0.111 0.000 2.290 201 H HA -0.131 4.425 4.556 0.000 0.000 0.298 201 H C 2.294 177.684 175.328 0.103 0.000 1.087 201 H CA 2.127 58.286 56.048 0.185 0.000 1.291 201 H CB -0.708 29.101 29.762 0.078 0.000 1.369 201 H HN 0.366 nan 8.280 nan 0.000 0.492 202 G N 1.488 110.175 108.800 -0.188 0.000 2.491 202 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 202 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 202 G C 2.157 176.980 174.900 -0.128 0.000 1.180 202 G CA 1.080 46.050 45.100 -0.215 0.000 0.774 202 G HN 0.397 nan 8.290 nan 0.000 0.562 203 L N 0.730 121.940 121.223 -0.022 0.000 2.042 203 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 203 L C 3.226 180.126 176.870 0.051 0.000 1.076 203 L CA 1.435 56.290 54.840 0.026 0.000 0.749 203 L CB -0.426 41.676 42.059 0.071 0.000 0.893 203 L HN 0.199 nan 8.230 nan 0.000 0.432 204 S N -0.633 115.125 115.700 0.096 0.000 2.399 204 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 204 S C 2.007 176.706 174.600 0.164 0.000 1.022 204 S CA 1.117 59.422 58.200 0.174 0.000 0.983 204 S CB -0.204 63.160 63.200 0.273 0.000 0.803 204 S HN 0.184 nan 8.310 nan 0.000 0.480 205 V N 2.005 121.893 119.914 -0.043 0.000 2.358 205 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 205 V C 2.553 178.641 176.094 -0.009 0.000 1.047 205 V CA 1.401 63.638 62.300 -0.105 0.000 1.035 205 V CB -0.580 31.092 31.823 -0.252 0.000 0.658 205 V HN 0.373 nan 8.190 nan 0.000 0.452 206 R N -0.024 120.467 120.500 -0.016 0.000 2.082 206 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 206 R C 2.572 178.882 176.300 0.017 0.000 1.136 206 R CA 1.391 57.489 56.100 -0.004 0.000 0.935 206 R CB -0.464 29.833 30.300 -0.006 0.000 0.842 206 R HN 0.363 nan 8.270 nan 0.000 0.430 207 R N 0.170 120.707 120.500 0.060 0.000 2.117 207 R HA -0.150 4.190 4.340 -0.000 0.000 0.243 207 R C 2.075 178.397 176.300 0.037 0.000 1.143 207 R CA 1.160 57.307 56.100 0.078 0.000 0.968 207 R CB -1.018 29.369 30.300 0.145 0.000 0.863 207 R HN 0.256 nan 8.270 nan 0.000 0.444 208 F N 2.065 121.898 119.950 -0.194 0.000 2.095 208 F HA -0.217 4.310 4.527 0.000 0.000 0.298 208 F C 2.335 177.910 175.800 -0.374 0.000 1.104 208 F CA 1.586 59.212 58.000 -0.623 0.000 1.232 208 F CB 0.035 38.518 39.000 -0.861 0.000 0.987 208 F HN -0.132 nan 8.300 nan 0.000 0.475 209 R N 0.733 121.187 120.500 -0.077 0.000 2.062 209 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 209 R C 2.116 178.328 176.300 -0.145 0.000 1.136 209 R CA 1.882 57.922 56.100 -0.101 0.000 0.948 209 R CB -1.156 29.132 30.300 -0.020 0.000 0.845 209 R HN 0.444 nan 8.270 nan 0.000 0.430 210 E N 0.791 120.928 120.200 -0.105 0.000 2.077 210 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 210 E C 2.022 178.543 176.600 -0.132 0.000 0.989 210 E CA 0.904 57.248 56.400 -0.094 0.000 0.800 210 E CB -0.155 29.511 29.700 -0.056 0.000 0.746 210 E HN 0.216 nan 8.360 nan 0.000 0.452 211 L N -0.213 120.906 121.223 -0.173 0.000 2.465 211 L HA 0.050 4.390 4.340 -0.000 0.000 0.224 211 L C 1.362 178.052 176.870 -0.299 0.000 1.145 211 L CA 0.409 55.123 54.840 -0.211 0.000 0.834 211 L CB -0.353 41.591 42.059 -0.192 0.000 0.944 211 L HN 0.308 nan 8.230 nan 0.000 0.451 212 G N 0.667 109.272 108.800 -0.325 0.000 2.249 212 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.273 212 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.273 212 G C 0.323 174.997 174.900 -0.377 0.000 1.036 212 G CA 0.394 45.308 45.100 -0.310 0.000 0.824 212 G HN 0.295 nan 8.290 nan 0.000 0.504 213 T N 1.092 115.252 114.554 -0.656 0.000 2.937 213 T HA 0.427 4.777 4.350 -0.000 0.000 0.316 213 T C 1.243 175.664 174.700 -0.466 0.000 1.079 213 T CA 0.534 62.285 62.100 -0.583 0.000 1.131 213 T CB 0.994 69.129 68.868 -1.223 0.000 1.000 213 T HN 1.257 nan 8.240 nan 0.000 0.549 214 S N 1.349 117.021 115.700 -0.047 0.000 2.580 214 S HA 0.643 5.113 4.470 -0.000 0.000 0.274 214 S C 0.744 175.434 174.600 0.150 0.000 1.329 214 S CA -0.145 58.014 58.200 -0.068 0.000 1.036 214 S CB 0.674 63.728 63.200 -0.243 0.000 0.919 214 S HN 1.502 nan 8.310 nan 0.000 0.515 215 G N 1.727 110.594 108.800 0.113 0.000 2.548 215 G HA2 0.029 3.989 3.960 -0.000 0.000 0.208 215 G HA3 0.029 3.989 3.960 -0.000 0.000 0.208 215 G C -0.970 174.086 174.900 0.260 0.000 1.308 215 G CA -0.251 44.938 45.100 0.148 0.000 0.924 215 G HN 1.335 nan 8.290 nan 0.000 0.540 216 Q N -1.068 118.798 119.800 0.110 0.000 2.399 216 Q HA 0.861 5.201 4.340 -0.000 0.000 0.276 216 Q C -0.574 175.333 176.000 -0.156 0.000 1.098 216 Q CA -1.141 54.675 55.803 0.022 0.000 0.827 216 Q CB 2.908 31.652 28.738 0.010 0.000 1.386 216 Q HN 1.244 nan 8.270 nan 0.000 0.443 217 I N -0.068 120.308 120.570 -0.324 0.000 2.802 217 I HA 0.796 4.965 4.170 -0.000 0.000 0.298 217 I C -1.073 174.958 176.117 -0.143 0.000 1.176 217 I CA -0.517 60.535 61.300 -0.412 0.000 1.025 217 I CB 2.238 39.575 38.000 -1.105 0.000 1.243 217 I HN 0.935 nan 8.210 nan 0.000 0.424 218 G N 6.003 114.797 108.800 -0.010 0.000 2.731 218 G HA2 0.546 4.506 3.960 -0.000 0.000 0.309 218 G HA3 0.546 4.506 3.960 -0.000 0.000 0.309 218 G C -2.133 172.861 174.900 0.156 0.000 1.273 218 G CA -0.558 44.605 45.100 0.105 0.000 0.798 218 G HN 0.680 nan 8.290 nan 0.000 0.509 219 I N -0.603 120.037 120.570 0.116 0.000 2.828 219 I HA 0.717 4.887 4.170 -0.000 0.000 0.302 219 I C -0.740 175.431 176.117 0.091 0.000 1.101 219 I CA -1.409 59.931 61.300 0.067 0.000 1.031 219 I CB 2.296 40.196 38.000 -0.167 0.000 1.231 219 I HN 0.757 nan 8.210 nan 0.000 0.427 220 A N 7.893 130.768 122.820 0.092 0.000 2.802 220 A HA 0.599 4.919 4.320 -0.000 0.000 0.344 220 A C -2.747 174.890 177.584 0.089 0.000 1.215 220 A CA -1.470 50.628 52.037 0.101 0.000 0.821 220 A CB -0.098 18.959 19.000 0.096 0.000 1.099 220 A HN 0.394 nan 8.150 nan 0.000 0.479 221 P HA 0.120 nan 4.420 nan 0.000 0.275 221 P C -0.754 176.654 177.300 0.180 0.000 1.228 221 P CA -0.254 62.914 63.100 0.113 0.000 0.786 221 P CB 0.969 32.770 31.700 0.169 0.000 0.927 222 N N 1.868 120.699 118.700 0.219 0.000 2.488 222 N HA 0.148 4.888 4.740 -0.000 0.000 0.274 222 N C -0.641 175.060 175.510 0.317 0.000 1.111 222 N CA -0.417 52.793 53.050 0.267 0.000 0.974 222 N CB 0.708 39.377 38.487 0.302 0.000 1.089 222 N HN 0.094 nan 8.380 nan 0.000 0.465 223 V N 1.385 121.448 119.914 0.249 0.000 2.472 223 V HA 0.392 4.512 4.120 -0.000 0.000 0.290 223 V C 0.311 176.418 176.094 0.022 0.000 1.037 223 V CA -0.475 61.952 62.300 0.212 0.000 0.908 223 V CB 1.361 33.345 31.823 0.268 0.000 0.985 223 V HN 0.992 nan 8.190 nan 0.000 0.454 224 S N 5.244 120.846 115.700 -0.164 0.000 2.607 224 S HA 0.720 5.190 4.470 -0.000 0.000 0.303 224 S C -1.137 173.486 174.600 0.038 0.000 1.086 224 S CA -0.678 57.303 58.200 -0.366 0.000 0.995 224 S CB 2.077 64.659 63.200 -1.030 0.000 1.084 224 S HN 0.846 nan 8.310 nan 0.000 0.507 225 W N 1.087 122.278 121.300 -0.181 0.000 3.326 225 W HA 0.567 5.227 4.660 -0.000 0.000 0.333 225 W C -1.652 174.801 176.519 -0.111 0.000 1.108 225 W CA -0.672 56.605 57.345 -0.113 0.000 1.245 225 W CB 1.866 31.345 29.460 0.033 0.000 1.331 225 W HN 1.097 nan 8.180 nan 0.000 0.464 226 A N 4.313 126.655 122.820 -0.796 0.000 2.386 226 A HA 0.801 5.121 4.320 -0.000 0.000 0.311 226 A C -1.996 175.194 177.584 -0.657 0.000 1.068 226 A CA -0.525 51.189 52.037 -0.538 0.000 0.743 226 A CB 2.163 20.923 19.000 -0.400 0.000 1.258 226 A HN 0.298 nan 8.150 nan 0.000 0.429 227 V N 3.887 123.601 119.914 -0.333 0.000 2.604 227 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 227 V C -2.235 173.793 176.094 -0.111 0.000 1.043 227 V CA -1.799 60.374 62.300 -0.213 0.000 0.888 227 V CB 2.413 34.202 31.823 -0.057 0.000 0.995 227 V HN 0.862 nan 8.190 nan 0.000 0.429 228 P HA 0.056 nan 4.420 nan 0.000 0.271 228 P C -0.167 177.157 177.300 0.040 0.000 1.216 228 P CA 0.092 63.177 63.100 -0.025 0.000 0.776 228 P CB 0.960 32.634 31.700 -0.043 0.000 0.881 229 Y N 3.303 123.579 120.300 -0.040 0.000 2.133 229 Y HA -0.123 4.427 4.550 -0.000 0.000 0.287 229 Y C 1.466 177.358 175.900 -0.014 0.000 1.134 229 Y CA 1.906 59.993 58.100 -0.022 0.000 1.133 229 Y CB -0.109 38.342 38.460 -0.016 0.000 0.987 229 Y HN 0.474 nan 8.280 nan 0.000 0.502 230 S N -1.643 114.102 115.700 0.076 0.000 2.747 230 S HA 0.250 4.720 4.470 -0.000 0.000 0.300 230 S C 0.835 175.426 174.600 -0.016 0.000 1.121 230 S CA -0.089 58.103 58.200 -0.014 0.000 0.995 230 S CB 1.225 64.468 63.200 0.070 0.000 1.113 230 S HN 0.337 nan 8.310 nan 0.000 0.547 231 T N -0.838 113.699 114.554 -0.029 0.000 3.148 231 T HA 0.162 4.512 4.350 -0.000 0.000 0.253 231 T C 0.932 175.620 174.700 -0.019 0.000 1.134 231 T CA 0.200 62.283 62.100 -0.028 0.000 1.051 231 T CB -1.063 67.785 68.868 -0.032 0.000 0.959 231 T HN 0.876 nan 8.240 nan 0.000 0.525 232 S N 0.800 116.499 115.700 -0.003 0.000 2.568 232 S HA 0.162 4.632 4.470 -0.000 0.000 0.282 232 S C 1.068 175.652 174.600 -0.026 0.000 1.338 232 S CA -0.483 57.714 58.200 -0.005 0.000 1.045 232 S CB 1.237 64.450 63.200 0.022 0.000 0.873 232 S HN 0.194 nan 8.310 nan 0.000 0.516 233 E N 1.357 121.531 120.200 -0.044 0.000 2.150 233 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 233 E C 2.098 178.643 176.600 -0.091 0.000 0.985 233 E CA 1.812 58.171 56.400 -0.068 0.000 0.814 233 E CB -0.229 29.429 29.700 -0.070 0.000 0.752 233 E HN 0.948 nan 8.360 nan 0.000 0.466 234 E N -0.130 120.012 120.200 -0.097 0.000 2.072 234 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 234 E C 1.193 177.769 176.600 -0.041 0.000 0.985 234 E CA 1.406 57.709 56.400 -0.161 0.000 0.801 234 E CB -0.248 29.289 29.700 -0.272 0.000 0.750 234 E HN 0.115 nan 8.360 nan 0.000 0.452 235 D N 1.306 121.721 120.400 0.026 0.000 2.144 235 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 235 D C 1.808 178.089 176.300 -0.031 0.000 0.978 235 D CA 1.206 55.234 54.000 0.047 0.000 0.833 235 D CB -0.172 40.667 40.800 0.066 0.000 0.961 235 D HN 0.224 nan 8.370 nan 0.000 0.470 236 K N 0.536 120.901 120.400 -0.060 0.000 2.057 236 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 236 K C 1.940 178.459 176.600 -0.135 0.000 1.049 236 K CA 1.286 57.512 56.287 -0.101 0.000 0.931 236 K CB -0.017 32.427 32.500 -0.093 0.000 0.714 236 K HN 0.043 nan 8.250 nan 0.000 0.440 237 A N 1.017 123.758 122.820 -0.131 0.000 1.898 237 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 237 A C 2.338 179.829 177.584 -0.156 0.000 1.181 237 A CA 1.698 53.642 52.037 -0.155 0.000 0.620 237 A CB -0.825 18.085 19.000 -0.149 0.000 0.819 237 A HN 0.472 nan 8.150 nan 0.000 0.442 238 A N -0.795 121.955 122.820 -0.118 0.000 1.908 238 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 238 A C 2.295 179.769 177.584 -0.183 0.000 1.181 238 A CA 1.871 53.834 52.037 -0.123 0.000 0.627 238 A CB -1.337 17.666 19.000 0.006 0.000 0.818 238 A HN 0.621 nan 8.150 nan 0.000 0.445 239 C N -1.182 118.008 119.300 -0.182 0.000 2.435 239 C HA 0.151 4.611 4.460 -0.000 0.000 0.279 239 C C 3.284 178.114 174.990 -0.268 0.000 1.321 239 C CA 0.486 59.349 59.018 -0.258 0.000 1.752 239 C CB -1.358 26.205 27.740 -0.295 0.000 1.959 239 C HN 0.710 nan 8.230 nan 0.000 0.500 240 A N 0.885 123.587 122.820 -0.198 0.000 1.902 240 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 240 A C 2.263 179.897 177.584 0.084 0.000 1.181 240 A CA 1.315 53.286 52.037 -0.110 0.000 0.623 240 A CB -0.474 18.388 19.000 -0.229 0.000 0.818 240 A HN 0.656 nan 8.150 nan 0.000 0.443 241 R N -0.999 119.497 120.500 -0.007 0.000 2.073 241 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 241 R C 2.308 178.452 176.300 -0.260 0.000 1.134 241 R CA 1.802 57.777 56.100 -0.208 0.000 0.952 241 R CB -0.888 29.069 30.300 -0.572 0.000 0.850 241 R HN 0.509 nan 8.270 nan 0.000 0.433 242 T N 1.566 115.961 114.554 -0.266 0.000 2.684 242 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 242 T C 1.954 176.519 174.700 -0.225 0.000 1.036 242 T CA 1.337 63.278 62.100 -0.267 0.000 1.148 242 T CB -0.164 68.530 68.868 -0.289 0.000 0.863 242 T HN 0.143 nan 8.240 nan 0.000 0.436 243 I N 0.897 121.332 120.570 -0.226 0.000 2.163 243 I HA -0.144 4.026 4.170 -0.000 0.000 0.240 243 I C 2.703 178.844 176.117 0.040 0.000 1.081 243 I CA 1.002 62.192 61.300 -0.182 0.000 1.353 243 I CB -0.357 37.424 38.000 -0.364 0.000 1.054 243 I HN 0.157 nan 8.210 nan 0.000 0.407 244 S N 0.798 116.575 115.700 0.127 0.000 2.399 244 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 244 S C 1.887 176.629 174.600 0.236 0.000 1.022 244 S CA 1.046 59.412 58.200 0.278 0.000 0.983 244 S CB -0.354 63.102 63.200 0.426 0.000 0.803 244 S HN 0.267 nan 8.310 nan 0.000 0.480 245 L N 1.106 122.370 121.223 0.067 0.000 2.141 245 L HA -0.032 4.307 4.340 -0.000 0.000 0.209 245 L C 1.870 178.954 176.870 0.357 0.000 1.094 245 L CA 1.867 56.726 54.840 0.032 0.000 0.763 245 L CB -0.657 41.280 42.059 -0.203 0.000 0.908 245 L HN 0.242 nan 8.230 nan 0.000 0.437 246 H N -1.659 117.501 119.070 0.149 0.000 2.333 246 H HA -0.022 4.534 4.556 -0.000 0.000 0.302 246 H C 2.267 177.887 175.328 0.487 0.000 1.075 246 H CA 1.738 57.922 56.048 0.227 0.000 1.348 246 H CB 0.123 29.804 29.762 -0.134 0.000 1.393 246 H HN 0.526 nan 8.280 nan 0.000 0.509 247 S N -0.900 115.120 115.700 0.532 0.000 2.694 247 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 247 S C 1.631 176.530 174.600 0.498 0.000 1.012 247 S CA 0.238 58.748 58.200 0.516 0.000 0.896 247 S CB 0.039 63.516 63.200 0.462 0.000 0.838 247 S HN 0.199 nan 8.310 nan 0.000 0.604 248 D N 0.806 121.504 120.400 0.496 0.000 2.158 248 D HA -0.127 4.512 4.640 -0.000 0.000 0.197 248 D C 1.346 177.834 176.300 0.314 0.000 0.995 248 D CA 1.026 55.301 54.000 0.458 0.000 0.846 248 D CB -0.387 40.707 40.800 0.489 0.000 0.941 248 D HN 0.513 nan 8.370 nan 0.000 0.456 249 W N 0.084 121.443 121.300 0.097 0.000 2.364 249 W HA -0.138 4.522 4.660 0.000 0.000 0.281 249 W C 1.615 177.939 176.519 -0.325 0.000 1.219 249 W CA 0.982 58.270 57.345 -0.095 0.000 1.220 249 W CB -0.292 29.033 29.460 -0.226 0.000 1.127 249 W HN -0.067 nan 8.180 nan 0.000 0.556 250 F N -2.250 117.848 119.950 0.247 0.000 2.653 250 F HA 0.149 4.676 4.527 -0.000 0.000 0.288 250 F C 1.855 177.601 175.800 -0.091 0.000 1.121 250 F CA 0.519 58.545 58.000 0.042 0.000 1.384 250 F CB -0.731 38.330 39.000 0.102 0.000 1.115 250 F HN -0.318 nan 8.300 nan 0.000 0.599 251 L N -0.480 120.808 121.223 0.107 0.000 2.249 251 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 251 L C 2.404 179.148 176.870 -0.211 0.000 1.090 251 L CA 0.782 55.563 54.840 -0.097 0.000 0.802 251 L CB -0.450 41.466 42.059 -0.237 0.000 0.947 251 L HN 0.174 nan 8.230 nan 0.000 0.453 252 Q N 0.516 120.284 119.800 -0.054 0.000 2.079 252 Q HA -0.155 4.184 4.340 -0.000 0.000 0.200 252 Q C -0.547 175.398 176.000 -0.093 0.000 0.974 252 Q CA 1.522 57.360 55.803 0.059 0.000 0.840 252 Q CB -0.455 28.365 28.738 0.138 0.000 0.898 252 Q HN 0.286 nan 8.270 nan 0.000 0.430 253 P HA -0.150 nan 4.420 nan 0.000 0.216 253 P C 0.967 178.137 177.300 -0.216 0.000 1.153 253 P CA 1.224 64.103 63.100 -0.368 0.000 0.848 253 P CB -0.037 31.259 31.700 -0.673 0.000 0.787 254 I N -2.746 117.694 120.570 -0.216 0.000 2.226 254 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 254 I C 1.940 177.868 176.117 -0.314 0.000 1.100 254 I CA 1.783 62.929 61.300 -0.256 0.000 1.374 254 I CB -0.451 37.343 38.000 -0.344 0.000 1.057 254 I HN -0.017 nan 8.210 nan 0.000 0.413 255 Y N -0.179 120.040 120.300 -0.135 0.000 2.479 255 Y HA 0.061 4.611 4.550 -0.000 0.000 0.283 255 Y C 1.952 177.865 175.900 0.022 0.000 1.109 255 Y CA 0.392 58.458 58.100 -0.056 0.000 1.239 255 Y CB 0.235 38.638 38.460 -0.095 0.000 1.108 255 Y HN 0.114 nan 8.280 nan 0.000 0.548 256 Q N -0.965 118.932 119.800 0.162 0.000 2.171 256 Q HA 0.269 4.609 4.340 -0.000 0.000 0.218 256 Q C 1.103 177.130 176.000 0.046 0.000 0.822 256 Q CA 0.366 56.245 55.803 0.127 0.000 0.987 256 Q CB 1.298 30.141 28.738 0.175 0.000 1.144 256 Q HN 0.450 nan 8.270 nan 0.000 0.494 257 G N 1.743 110.538 108.800 -0.007 0.000 2.168 257 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 257 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 257 G C 0.111 174.980 174.900 -0.052 0.000 0.997 257 G CA 0.661 45.741 45.100 -0.035 0.000 0.708 257 G HN 0.473 nan 8.290 nan 0.000 0.520 258 S N -1.873 113.776 115.700 -0.085 0.000 2.588 258 S HA 0.710 5.180 4.470 -0.000 0.000 0.269 258 S C -0.850 173.648 174.600 -0.170 0.000 1.157 258 S CA -1.197 56.958 58.200 -0.076 0.000 0.824 258 S CB 1.661 64.872 63.200 0.018 0.000 1.126 258 S HN 0.474 nan 8.310 nan 0.000 0.464 259 Y N 0.879 121.088 120.300 -0.152 0.000 2.335 259 Y HA 0.476 5.026 4.550 -0.000 0.000 0.323 259 Y C -2.387 173.455 175.900 -0.096 0.000 1.224 259 Y CA -1.852 56.069 58.100 -0.299 0.000 1.241 259 Y CB 0.745 38.927 38.460 -0.463 0.000 1.235 259 Y HN 0.424 nan 8.280 nan 0.000 0.492 260 P HA -0.035 nan 4.420 nan 0.000 0.260 260 P C 0.106 177.547 177.300 0.235 0.000 1.207 260 P CA 0.303 63.559 63.100 0.260 0.000 0.780 260 P CB 0.737 32.630 31.700 0.323 0.000 0.789 261 Q N 4.665 124.613 119.800 0.247 0.000 2.112 261 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 261 Q C 1.488 177.618 176.000 0.216 0.000 0.987 261 Q CA 2.110 58.035 55.803 0.203 0.000 0.858 261 Q CB -0.960 27.880 28.738 0.170 0.000 0.905 261 Q HN 0.548 nan 8.270 nan 0.000 0.420 262 F N -1.237 118.755 119.950 0.071 0.000 2.202 262 F HA -0.071 4.456 4.527 -0.000 0.000 0.301 262 F C 1.513 177.334 175.800 0.034 0.000 1.082 262 F CA 1.031 59.058 58.000 0.046 0.000 1.313 262 F CB -0.719 38.283 39.000 0.004 0.000 1.024 262 F HN 0.083 nan 8.300 nan 0.000 0.495 263 L N -0.165 120.646 121.223 -0.687 0.000 2.179 263 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 263 L C 2.507 179.193 176.870 -0.307 0.000 1.096 263 L CA 0.360 54.746 54.840 -0.757 0.000 0.779 263 L CB -0.397 41.212 42.059 -0.750 0.000 0.922 263 L HN 0.092 nan 8.230 nan 0.000 0.443 264 V N -0.044 119.894 119.914 0.041 0.000 2.295 264 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 264 V C 2.036 178.192 176.094 0.105 0.000 1.049 264 V CA 1.927 64.325 62.300 0.163 0.000 1.024 264 V CB -0.459 31.452 31.823 0.146 0.000 0.648 264 V HN 0.448 nan 8.190 nan 0.000 0.447 265 D N -1.154 119.295 120.400 0.082 0.000 2.144 265 D HA -0.198 4.442 4.640 -0.000 0.000 0.200 265 D C 1.822 178.163 176.300 0.068 0.000 0.978 265 D CA 1.099 55.148 54.000 0.083 0.000 0.833 265 D CB -0.331 40.533 40.800 0.107 0.000 0.961 265 D HN 0.621 nan 8.370 nan 0.000 0.470 266 W N 0.870 122.067 121.300 -0.171 0.000 2.333 266 W HA -0.246 4.414 4.660 -0.000 0.000 0.316 266 W C 1.572 178.033 176.519 -0.097 0.000 1.215 266 W CA 0.944 58.156 57.345 -0.222 0.000 1.278 266 W CB -0.413 28.759 29.460 -0.480 0.000 1.154 266 W HN -0.090 nan 8.180 nan 0.000 0.486 267 F N 1.000 121.015 119.950 0.108 0.000 2.234 267 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 267 F C 2.723 178.498 175.800 -0.041 0.000 1.087 267 F CA 1.356 59.370 58.000 0.022 0.000 1.340 267 F CB -1.700 37.335 39.000 0.059 0.000 1.031 267 F HN -0.100 nan 8.300 nan 0.000 0.500 268 A N 0.088 122.995 122.820 0.145 0.000 1.940 268 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 268 A C 2.142 179.723 177.584 -0.006 0.000 1.176 268 A CA 1.581 53.654 52.037 0.060 0.000 0.631 268 A CB -0.518 18.510 19.000 0.047 0.000 0.814 268 A HN 0.229 nan 8.150 nan 0.000 0.446 269 E N 0.202 120.361 120.200 -0.069 0.000 2.265 269 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 269 E C 1.540 178.059 176.600 -0.135 0.000 0.996 269 E CA 1.009 57.327 56.400 -0.136 0.000 0.832 269 E CB -0.342 29.201 29.700 -0.263 0.000 0.756 269 E HN 0.802 nan 8.360 nan 0.000 0.491 270 Q N -0.657 119.082 119.800 -0.101 0.000 2.280 270 Q HA 0.219 4.559 4.340 -0.000 0.000 0.201 270 Q C 0.624 176.606 176.000 -0.029 0.000 0.890 270 Q CA 0.341 56.107 55.803 -0.062 0.000 0.947 270 Q CB 0.763 29.495 28.738 -0.009 0.000 1.081 270 Q HN 0.338 nan 8.270 nan 0.000 0.502 271 G N 0.687 109.473 108.800 -0.023 0.000 2.143 271 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.249 271 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.249 271 G C 0.091 174.979 174.900 -0.020 0.000 0.981 271 G CA 0.153 45.239 45.100 -0.022 0.000 0.665 271 G HN 0.498 nan 8.290 nan 0.000 0.528 272 A N -0.201 122.618 122.820 -0.001 0.000 2.325 272 A HA 0.989 5.309 4.320 -0.000 0.000 0.333 272 A C 0.291 177.886 177.584 0.018 0.000 1.155 272 A CA 0.576 52.599 52.037 -0.024 0.000 0.814 272 A CB 1.424 20.370 19.000 -0.090 0.000 1.206 272 A HN 1.670 nan 8.150 nan 0.000 0.482 273 T N -1.240 113.305 114.554 -0.015 0.000 2.909 273 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 273 T C -0.597 174.064 174.700 -0.064 0.000 1.073 273 T CA -0.676 61.418 62.100 -0.011 0.000 0.999 273 T CB 0.968 69.825 68.868 -0.018 0.000 1.098 273 T HN 0.633 nan 8.240 nan 0.000 0.477 274 V N 3.853 123.701 119.914 -0.110 0.000 2.521 274 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 274 V C -1.523 174.413 176.094 -0.264 0.000 1.034 274 V CA -1.381 60.769 62.300 -0.250 0.000 1.045 274 V CB 0.307 31.820 31.823 -0.516 0.000 0.974 274 V HN 0.826 nan 8.190 nan 0.000 0.480 275 P HA 0.230 nan 4.420 nan 0.000 0.230 275 P C -0.274 176.918 177.300 -0.180 0.000 1.791 275 P CA 0.042 63.068 63.100 -0.124 0.000 1.020 275 P CB -0.166 31.543 31.700 0.015 0.000 1.977 276 I N 1.325 121.743 120.570 -0.254 0.000 2.352 276 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 276 I C 0.990 177.134 176.117 0.044 0.000 1.036 276 I CA -0.291 60.926 61.300 -0.138 0.000 1.336 276 I CB 0.517 38.448 38.000 -0.115 0.000 1.407 276 I HN 0.084 nan 8.210 nan 0.000 0.497 277 Q N 4.165 124.050 119.800 0.142 0.000 2.193 277 Q HA 0.259 4.598 4.340 -0.000 0.000 0.246 277 Q C -0.882 175.173 176.000 0.091 0.000 0.959 277 Q CA -1.050 54.815 55.803 0.103 0.000 0.904 277 Q CB 1.441 30.247 28.738 0.113 0.000 1.238 277 Q HN 0.454 nan 8.270 nan 0.000 0.469 278 D N 0.036 120.473 120.400 0.062 0.000 2.443 278 D HA 0.166 4.806 4.640 -0.000 0.000 0.239 278 D C 1.031 177.364 176.300 0.055 0.000 1.136 278 D CA 1.545 55.575 54.000 0.051 0.000 0.879 278 D CB 0.673 41.495 40.800 0.036 0.000 1.195 278 D HN 0.804 nan 8.370 nan 0.000 0.443 279 G N 2.382 111.212 108.800 0.050 0.000 2.284 279 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.247 279 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.247 279 G C 1.081 176.013 174.900 0.053 0.000 1.012 279 G CA 0.485 45.611 45.100 0.043 0.000 0.618 279 G HN 0.498 nan 8.290 nan 0.000 0.521 280 D N 0.590 121.042 120.400 0.086 0.000 2.088 280 D HA -0.090 4.550 4.640 -0.000 0.000 0.191 280 D C 2.745 179.093 176.300 0.079 0.000 0.992 280 D CA 1.717 55.783 54.000 0.110 0.000 0.831 280 D CB -0.257 40.695 40.800 0.253 0.000 0.973 280 D HN 0.344 nan 8.370 nan 0.000 0.447 281 M N 0.859 120.514 119.600 0.091 0.000 2.195 281 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 281 M C 1.432 177.735 176.300 0.004 0.000 1.066 281 M CA 1.180 56.502 55.300 0.037 0.000 1.089 281 M CB -0.928 31.691 32.600 0.033 0.000 1.377 281 M HN 0.015 nan 8.290 nan 0.000 0.411 282 D N 0.273 120.681 120.400 0.014 0.000 2.144 282 D HA -0.022 4.618 4.640 -0.000 0.000 0.200 282 D C 2.223 178.518 176.300 -0.008 0.000 0.978 282 D CA 0.993 54.994 54.000 0.003 0.000 0.833 282 D CB -0.059 40.747 40.800 0.010 0.000 0.961 282 D HN 0.376 nan 8.370 nan 0.000 0.470 283 I N 0.795 121.364 120.570 -0.002 0.000 2.202 283 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 283 I C 2.366 178.466 176.117 -0.028 0.000 1.091 283 I CA 0.703 61.995 61.300 -0.013 0.000 1.368 283 I CB -0.113 37.886 38.000 -0.003 0.000 1.058 283 I HN -0.067 nan 8.210 nan 0.000 0.410 284 I N 0.783 121.336 120.570 -0.027 0.000 2.361 284 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 284 I C 2.275 178.368 176.117 -0.039 0.000 1.133 284 I CA 1.413 62.697 61.300 -0.028 0.000 1.413 284 I CB -0.754 37.203 38.000 -0.070 0.000 1.073 284 I HN 0.260 nan 8.210 nan 0.000 0.424 285 G N 0.509 109.276 108.800 -0.056 0.000 2.990 285 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.206 285 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.206 285 G C 0.445 175.301 174.900 -0.073 0.000 1.169 285 G CA -0.189 44.868 45.100 -0.072 0.000 0.819 285 G HN 0.235 nan 8.290 nan 0.000 0.517 286 E N 1.611 121.770 120.200 -0.068 0.000 2.493 286 E HA 0.162 4.512 4.350 -0.000 0.000 0.255 286 E C -2.079 174.468 176.600 -0.088 0.000 0.999 286 E CA -1.681 54.675 56.400 -0.075 0.000 0.934 286 E CB 0.393 30.032 29.700 -0.102 0.000 0.940 286 E HN 0.049 nan 8.360 nan 0.000 0.473 287 P HA 0.012 nan 4.420 nan 0.000 0.261 287 P C -0.718 176.548 177.300 -0.057 0.000 1.183 287 P CA 0.482 63.547 63.100 -0.058 0.000 0.761 287 P CB 0.132 31.824 31.700 -0.014 0.000 0.785 288 I N -0.761 119.770 120.570 -0.065 0.000 2.648 288 I HA 0.438 4.608 4.170 -0.000 0.000 0.304 288 I C 0.415 176.558 176.117 0.043 0.000 1.009 288 I CA -0.785 60.502 61.300 -0.021 0.000 1.114 288 I CB 2.054 40.058 38.000 0.006 0.000 1.293 288 I HN 0.050 nan 8.210 nan 0.000 0.449 289 D N 3.854 124.280 120.400 0.043 0.000 2.234 289 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 289 D C 0.650 177.047 176.300 0.161 0.000 0.962 289 D CA 1.532 55.585 54.000 0.088 0.000 0.855 289 D CB 0.269 41.103 40.800 0.057 0.000 0.951 289 D HN 0.637 nan 8.370 nan 0.000 0.500 290 M N -0.570 119.143 119.600 0.189 0.000 3.196 290 M HA 0.307 4.786 4.480 -0.000 0.000 0.279 290 M C -2.026 174.434 176.300 0.266 0.000 1.173 290 M CA -0.931 54.533 55.300 0.274 0.000 0.820 290 M CB 1.821 34.663 32.600 0.402 0.000 1.621 290 M HN -0.125 nan 8.290 nan 0.000 0.521 291 I N -0.822 119.928 120.570 0.300 0.000 2.934 291 I HA 0.979 5.149 4.170 -0.000 0.000 0.306 291 I C -0.179 176.105 176.117 0.278 0.000 1.110 291 I CA -0.832 60.621 61.300 0.254 0.000 1.019 291 I CB 2.409 40.551 38.000 0.235 0.000 1.227 291 I HN 0.838 nan 8.210 nan 0.000 0.434 292 G N 4.358 113.288 108.800 0.217 0.000 2.400 292 G HA2 0.679 4.639 3.960 -0.000 0.000 0.333 292 G HA3 0.679 4.639 3.960 -0.000 0.000 0.333 292 G C -0.941 174.054 174.900 0.158 0.000 1.143 292 G CA -0.531 44.681 45.100 0.186 0.000 0.914 292 G HN 0.412 nan 8.290 nan 0.000 0.480 293 I N 1.782 122.439 120.570 0.146 0.000 2.436 293 I HA 0.326 4.495 4.170 -0.000 0.000 0.289 293 I C -1.075 175.119 176.117 0.129 0.000 1.010 293 I CA -1.343 60.048 61.300 0.151 0.000 1.098 293 I CB 1.840 39.932 38.000 0.153 0.000 1.266 293 I HN 0.296 nan 8.210 nan 0.000 0.434 294 N N 6.535 125.321 118.700 0.143 0.000 2.446 294 N HA 0.333 5.072 4.740 -0.000 0.000 0.265 294 N C -1.195 174.393 175.510 0.131 0.000 0.975 294 N CA -0.314 52.793 53.050 0.095 0.000 0.928 294 N CB 1.633 40.203 38.487 0.139 0.000 1.160 294 N HN 0.458 nan 8.380 nan 0.000 0.495 295 Y N 1.869 122.089 120.300 -0.133 0.000 2.425 295 Y HA 0.403 4.953 4.550 -0.000 0.000 0.344 295 Y C -0.680 175.083 175.900 -0.229 0.000 0.969 295 Y CA -0.509 57.562 58.100 -0.048 0.000 1.052 295 Y CB 1.067 39.564 38.460 0.062 0.000 1.215 295 Y HN 0.521 nan 8.280 nan 0.000 0.451 296 Y N 1.481 121.419 120.300 -0.604 0.000 2.731 296 Y HA 0.348 4.898 4.550 -0.000 0.000 0.269 296 Y C 0.857 176.590 175.900 -0.277 0.000 1.156 296 Y CA 0.416 58.405 58.100 -0.185 0.000 1.191 296 Y CB 0.885 39.390 38.460 0.074 0.000 1.382 296 Y HN 0.523 nan 8.280 nan 0.000 0.477 297 S N -0.456 114.952 115.700 -0.485 0.000 2.776 297 S HA 0.745 5.215 4.470 -0.000 0.000 0.292 297 S C -1.559 172.961 174.600 -0.133 0.000 1.187 297 S CA -0.589 57.514 58.200 -0.162 0.000 0.834 297 S CB 1.567 64.743 63.200 -0.039 0.000 1.199 297 S HN 0.113 nan 8.310 nan 0.000 0.514 298 M N 1.861 121.522 119.600 0.102 0.000 2.520 298 M HA 0.540 5.020 4.480 -0.000 0.000 0.280 298 M C -1.693 174.659 176.300 0.087 0.000 1.232 298 M CA -0.354 55.064 55.300 0.197 0.000 0.892 298 M CB 2.035 34.861 32.600 0.375 0.000 1.728 298 M HN 0.889 nan 8.290 nan 0.000 0.475 299 S N 1.385 117.101 115.700 0.026 0.000 2.661 299 S HA 0.834 5.304 4.470 -0.000 0.000 0.285 299 S C -1.477 173.109 174.600 -0.023 0.000 1.138 299 S CA -0.775 57.418 58.200 -0.011 0.000 0.855 299 S CB 2.075 65.230 63.200 -0.075 0.000 1.136 299 S HN 0.491 nan 8.310 nan 0.000 0.484 300 V N 2.494 122.409 119.914 0.001 0.000 2.357 300 V HA 0.532 4.652 4.120 -0.000 0.000 0.284 300 V C -0.873 175.220 176.094 -0.002 0.000 1.018 300 V CA -0.569 61.746 62.300 0.025 0.000 0.841 300 V CB 0.751 32.641 31.823 0.111 0.000 0.991 300 V HN 0.880 nan 8.190 nan 0.000 0.437 301 N N 3.654 122.334 118.700 -0.034 0.000 2.402 301 N HA 0.831 5.571 4.740 -0.000 0.000 0.294 301 N C -0.531 174.972 175.510 -0.012 0.000 1.203 301 N CA -0.953 52.063 53.050 -0.056 0.000 0.838 301 N CB 1.856 40.277 38.487 -0.110 0.000 1.306 301 N HN 0.781 nan 8.380 nan 0.000 0.510 302 R N -0.591 119.890 120.500 -0.033 0.000 2.774 302 R HA 0.503 4.843 4.340 -0.000 0.000 0.272 302 R C -1.355 174.957 176.300 0.021 0.000 1.000 302 R CA -0.832 55.278 56.100 0.017 0.000 0.906 302 R CB 0.766 31.056 30.300 -0.017 0.000 1.227 302 R HN 0.387 nan 8.270 nan 0.000 0.468 303 F N 2.719 122.645 119.950 -0.041 0.000 2.495 303 F HA 0.350 4.877 4.527 -0.000 0.000 0.365 303 F C -0.738 175.052 175.800 -0.016 0.000 1.090 303 F CA 0.037 58.017 58.000 -0.034 0.000 1.235 303 F CB 0.754 39.745 39.000 -0.014 0.000 1.119 303 F HN 0.688 nan 8.300 nan 0.000 0.562 304 N N 8.043 126.186 118.700 -0.928 0.000 2.572 304 N HA 0.268 5.007 4.740 -0.000 0.000 0.287 304 N C -2.332 172.736 175.510 -0.736 0.000 1.136 304 N CA -1.977 50.584 53.050 -0.815 0.000 0.900 304 N CB 2.135 40.410 38.487 -0.354 0.000 1.484 304 N HN 0.275 nan 8.380 nan 0.000 0.526 305 P HA -0.106 nan 4.420 nan 0.000 0.221 305 P C 0.224 177.471 177.300 -0.089 0.000 1.145 305 P CA 1.256 64.212 63.100 -0.240 0.000 0.795 305 P CB 0.611 32.262 31.700 -0.082 0.000 0.775 306 E N -0.434 119.693 120.200 -0.123 0.000 2.472 306 E HA 0.140 4.490 4.350 -0.000 0.000 0.196 306 E C 1.164 177.745 176.600 -0.032 0.000 1.033 306 E CA 0.040 56.410 56.400 -0.051 0.000 0.886 306 E CB -0.062 29.606 29.700 -0.054 0.000 0.944 306 E HN 0.173 nan 8.360 nan 0.000 0.492 307 A N 1.696 124.476 122.820 -0.067 0.000 3.051 307 A HA 0.458 4.778 4.320 -0.000 0.000 0.257 307 A C 0.977 178.577 177.584 0.026 0.000 1.785 307 A CA 0.630 52.644 52.037 -0.038 0.000 1.420 307 A CB -1.120 17.824 19.000 -0.093 0.000 1.063 307 A HN 0.180 nan 8.150 nan 0.000 0.630 308 G N 0.004 108.856 108.800 0.086 0.000 2.750 308 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.228 308 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.228 308 G C 0.331 175.392 174.900 0.268 0.000 1.367 308 G CA 0.114 45.328 45.100 0.191 0.000 0.871 308 G HN 1.589 nan 8.290 nan 0.000 0.560 309 F N -1.780 118.261 119.950 0.151 0.000 2.451 309 F HA 0.350 4.877 4.527 -0.000 0.000 0.299 309 F C 1.913 177.981 175.800 0.447 0.000 1.101 309 F CA 1.335 59.485 58.000 0.250 0.000 1.436 309 F CB -0.298 38.827 39.000 0.208 0.000 1.074 309 F HN 0.273 nan 8.300 nan 0.000 0.553 310 L N 0.495 121.579 121.223 -0.231 0.000 2.640 310 L HA 0.235 4.575 4.340 -0.000 0.000 0.230 310 L C 0.748 177.555 176.870 -0.105 0.000 1.123 310 L CA 0.154 54.791 54.840 -0.338 0.000 0.900 310 L CB -1.225 40.444 42.059 -0.650 0.000 1.146 310 L HN 0.274 nan 8.230 nan 0.000 0.484 311 Q N -0.189 119.665 119.800 0.089 0.000 2.435 311 Q HA -0.227 4.113 4.340 -0.000 0.000 0.312 311 Q C 0.171 176.155 176.000 -0.028 0.000 1.333 311 Q CA 0.817 56.670 55.803 0.083 0.000 0.883 311 Q CB -1.639 27.306 28.738 0.346 0.000 1.170 311 Q HN 0.307 nan 8.270 nan 0.000 0.443 312 S N 0.075 115.717 115.700 -0.096 0.000 2.733 312 S HA 0.332 4.802 4.470 -0.000 0.000 0.307 312 S C -0.809 173.724 174.600 -0.111 0.000 1.127 312 S CA -0.721 57.412 58.200 -0.112 0.000 1.097 312 S CB 1.324 64.422 63.200 -0.169 0.000 1.003 312 S HN 0.346 nan 8.310 nan 0.000 0.477 313 E N 3.317 123.449 120.200 -0.113 0.000 2.227 313 E HA 0.221 4.571 4.350 -0.000 0.000 0.282 313 E C -0.525 176.014 176.600 -0.101 0.000 1.015 313 E CA -0.365 55.971 56.400 -0.107 0.000 0.823 313 E CB 0.807 30.429 29.700 -0.129 0.000 1.081 313 E HN 0.692 nan 8.360 nan 0.000 0.396 314 E N 5.064 125.213 120.200 -0.085 0.000 2.200 314 E HA 0.177 4.527 4.350 -0.000 0.000 0.283 314 E C -0.409 176.147 176.600 -0.074 0.000 1.015 314 E CA -0.779 55.575 56.400 -0.076 0.000 0.819 314 E CB 0.707 30.369 29.700 -0.064 0.000 1.081 314 E HN 0.440 nan 8.360 nan 0.000 0.397 315 I N 3.804 124.327 120.570 -0.078 0.000 2.428 315 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 315 I C 0.499 176.599 176.117 -0.028 0.000 1.019 315 I CA -0.185 61.057 61.300 -0.097 0.000 1.351 315 I CB 0.803 38.706 38.000 -0.162 0.000 1.412 315 I HN 0.598 nan 8.210 nan 0.000 0.513 316 N N 6.191 124.877 118.700 -0.023 0.000 2.439 316 N HA 0.106 4.846 4.740 -0.000 0.000 0.243 316 N C 0.773 176.302 175.510 0.031 0.000 1.088 316 N CA -0.530 52.529 53.050 0.015 0.000 0.940 316 N CB 0.590 39.086 38.487 0.014 0.000 1.180 316 N HN 0.422 nan 8.380 nan 0.000 0.505 317 M N 2.292 121.926 119.600 0.056 0.000 2.659 317 M HA 0.094 4.574 4.480 -0.000 0.000 0.243 317 M C 1.478 177.820 176.300 0.070 0.000 1.111 317 M CA 0.413 55.761 55.300 0.080 0.000 1.070 317 M CB -0.961 31.696 32.600 0.095 0.000 1.525 317 M HN 0.828 nan 8.290 nan 0.000 0.517 318 G N 0.782 109.617 108.800 0.059 0.000 2.176 318 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 318 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 318 G C 0.273 175.209 174.900 0.059 0.000 0.979 318 G CA -0.189 44.943 45.100 0.054 0.000 0.641 318 G HN 0.427 nan 8.290 nan 0.000 0.530 319 L N 1.063 122.328 121.223 0.070 0.000 2.461 319 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 319 L C -1.343 175.577 176.870 0.082 0.000 1.197 319 L CA -1.366 53.521 54.840 0.078 0.000 0.836 319 L CB 0.061 42.178 42.059 0.095 0.000 1.105 319 L HN -0.029 nan 8.230 nan 0.000 0.477 320 P HA 0.110 nan 4.420 nan 0.000 0.271 320 P C -0.813 176.550 177.300 0.105 0.000 1.218 320 P CA -0.209 62.938 63.100 0.079 0.000 0.780 320 P CB 0.959 32.703 31.700 0.072 0.000 0.901 321 V N -0.766 119.202 119.914 0.091 0.000 3.113 321 V HA 0.764 4.884 4.120 -0.000 0.000 0.316 321 V C 0.236 176.366 176.094 0.060 0.000 1.125 321 V CA -0.764 61.601 62.300 0.109 0.000 1.026 321 V CB 1.322 33.206 31.823 0.103 0.000 1.080 321 V HN 0.641 nan 8.190 nan 0.000 0.444 322 T N -1.532 113.044 114.554 0.037 0.000 2.732 322 T HA 0.246 4.596 4.350 -0.000 0.000 0.287 322 T C 0.547 175.153 174.700 -0.158 0.000 0.993 322 T CA 0.196 62.243 62.100 -0.087 0.000 0.966 322 T CB 0.409 69.156 68.868 -0.201 0.000 1.047 322 T HN 0.718 nan 8.240 nan 0.000 0.527 323 D N -0.456 119.808 120.400 -0.228 0.000 2.350 323 D HA 0.016 4.656 4.640 -0.000 0.000 0.216 323 D C 1.393 177.538 176.300 -0.258 0.000 0.968 323 D CA 0.494 54.368 54.000 -0.209 0.000 0.894 323 D CB -0.146 40.537 40.800 -0.195 0.000 0.909 323 D HN 0.563 nan 8.370 nan 0.000 0.520 324 I N -0.938 119.388 120.570 -0.407 0.000 3.883 324 I HA 0.105 4.275 4.170 -0.000 0.000 0.326 324 I C 0.998 176.920 176.117 -0.325 0.000 1.283 324 I CA 0.398 61.425 61.300 -0.455 0.000 1.161 324 I CB 0.261 37.782 38.000 -0.798 0.000 1.012 324 I HN 0.089 nan 8.210 nan 0.000 0.421 325 G N 0.213 108.898 108.800 -0.191 0.000 2.141 325 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 325 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 325 G C -0.395 174.672 174.900 0.279 0.000 0.984 325 G CA -0.359 44.767 45.100 0.044 0.000 0.660 325 G HN 0.228 nan 8.290 nan 0.000 0.525 326 W N 1.527 122.852 121.300 0.041 0.000 2.338 326 W HA 0.549 5.209 4.660 -0.000 0.000 0.307 326 W C -1.830 174.749 176.519 0.100 0.000 1.167 326 W CA -3.406 53.981 57.345 0.070 0.000 1.208 326 W CB 0.437 29.948 29.460 0.086 0.000 1.228 326 W HN 0.029 nan 8.180 nan 0.000 0.499 327 P HA 0.086 nan 4.420 nan 0.000 0.275 327 P C -0.466 177.019 177.300 0.307 0.000 1.227 327 P CA -0.054 63.193 63.100 0.246 0.000 0.781 327 P CB 1.850 33.657 31.700 0.178 0.000 0.906 328 V N 1.459 121.551 119.914 0.297 0.000 2.383 328 V HA 0.473 4.593 4.120 -0.000 0.000 0.275 328 V C -0.354 175.883 176.094 0.238 0.000 1.036 328 V CA -0.288 62.229 62.300 0.361 0.000 0.889 328 V CB 0.531 32.617 31.823 0.439 0.000 0.985 328 V HN 0.688 nan 8.190 nan 0.000 0.459 329 E N 3.826 124.179 120.200 0.255 0.000 2.542 329 E HA 0.271 4.621 4.350 -0.000 0.000 0.298 329 E C 0.652 177.354 176.600 0.170 0.000 0.980 329 E CA 0.347 56.845 56.400 0.163 0.000 0.792 329 E CB 1.510 31.317 29.700 0.179 0.000 1.463 329 E HN 0.966 nan 8.360 nan 0.000 0.389 330 S N 4.000 119.635 115.700 -0.108 0.000 2.447 330 S HA -0.226 4.244 4.470 -0.000 0.000 0.233 330 S C 1.829 176.326 174.600 -0.172 0.000 1.006 330 S CA 0.833 58.807 58.200 -0.378 0.000 0.957 330 S CB -0.336 62.296 63.200 -0.947 0.000 0.773 330 S HN 0.682 nan 8.310 nan 0.000 0.507 331 R N 1.685 122.138 120.500 -0.077 0.000 2.154 331 R HA -0.066 4.274 4.340 -0.000 0.000 0.248 331 R C 2.308 178.581 176.300 -0.045 0.000 1.155 331 R CA 1.603 57.682 56.100 -0.036 0.000 0.979 331 R CB -1.722 28.586 30.300 0.013 0.000 0.869 331 R HN 0.437 nan 8.270 nan 0.000 0.452 332 G N 1.937 110.745 108.800 0.013 0.000 2.469 332 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 332 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 332 G C 1.467 176.033 174.900 -0.556 0.000 1.136 332 G CA 0.795 45.861 45.100 -0.056 0.000 0.759 332 G HN 0.270 nan 8.290 nan 0.000 0.562 333 L N -1.080 119.647 121.223 -0.827 0.000 2.056 333 L HA -0.035 4.304 4.340 -0.000 0.000 0.207 333 L C 2.574 179.223 176.870 -0.368 0.000 1.078 333 L CA 1.555 55.890 54.840 -0.842 0.000 0.749 333 L CB -0.316 41.402 42.059 -0.569 0.000 0.901 333 L HN 0.378 nan 8.230 nan 0.000 0.433 334 Y N 1.021 121.120 120.300 -0.334 0.000 2.145 334 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 334 Y C 2.597 178.369 175.900 -0.214 0.000 1.145 334 Y CA 1.745 59.736 58.100 -0.183 0.000 1.148 334 Y CB -0.079 38.306 38.460 -0.125 0.000 0.981 334 Y HN 0.183 nan 8.280 nan 0.000 0.507 335 E N -0.315 119.650 120.200 -0.391 0.000 2.038 335 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 335 E C 2.447 178.430 176.600 -1.029 0.000 1.000 335 E CA 1.467 57.426 56.400 -0.734 0.000 0.803 335 E CB -1.076 28.004 29.700 -1.033 0.000 0.750 335 E HN 0.439 nan 8.360 nan 0.000 0.448 336 V N 1.161 120.416 119.914 -1.099 0.000 2.427 336 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 336 V C 2.372 178.312 176.094 -0.258 0.000 1.051 336 V CA 1.176 63.068 62.300 -0.680 0.000 1.048 336 V CB -0.291 31.348 31.823 -0.306 0.000 0.666 336 V HN 0.179 nan 8.190 nan 0.000 0.456 337 L N -0.804 120.249 121.223 -0.284 0.000 2.083 337 L HA -0.194 4.145 4.340 -0.000 0.000 0.209 337 L C 2.408 179.098 176.870 -0.301 0.000 1.083 337 L CA 1.922 56.626 54.840 -0.227 0.000 0.752 337 L CB -0.629 41.287 42.059 -0.238 0.000 0.899 337 L HN 0.433 nan 8.230 nan 0.000 0.433 338 H N -2.313 116.552 119.070 -0.341 0.000 2.395 338 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 338 H C 1.917 177.142 175.328 -0.170 0.000 1.070 338 H CA 1.740 57.607 56.048 -0.303 0.000 1.356 338 H CB -0.012 29.496 29.762 -0.424 0.000 1.401 338 H HN 0.247 nan 8.280 nan 0.000 0.524 339 Y N 1.027 121.224 120.300 -0.171 0.000 2.165 339 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 339 Y C 1.772 177.621 175.900 -0.084 0.000 1.155 339 Y CA 1.354 59.407 58.100 -0.079 0.000 1.164 339 Y CB -0.391 38.056 38.460 -0.023 0.000 0.978 339 Y HN 0.111 nan 8.280 nan 0.000 0.513 340 L N 0.596 121.840 121.223 0.036 0.000 2.549 340 L HA -0.193 4.147 4.340 -0.000 0.000 0.230 340 L C 1.863 178.643 176.870 -0.151 0.000 1.162 340 L CA 0.506 55.349 54.840 0.005 0.000 0.834 340 L CB -0.505 41.639 42.059 0.142 0.000 0.947 340 L HN 0.295 nan 8.230 nan 0.000 0.452 341 Q N 0.861 120.537 119.800 -0.207 0.000 2.500 341 Q HA -0.150 4.190 4.340 -0.000 0.000 0.213 341 Q C 1.934 177.765 176.000 -0.281 0.000 0.974 341 Q CA 0.763 56.438 55.803 -0.212 0.000 0.918 341 Q CB -0.207 28.418 28.738 -0.190 0.000 0.980 341 Q HN 0.655 nan 8.270 nan 0.000 0.505 342 K N -1.035 119.087 120.400 -0.464 0.000 2.362 342 K HA -0.126 4.194 4.320 -0.000 0.000 0.200 342 K C 0.483 176.710 176.600 -0.622 0.000 1.046 342 K CA 1.012 56.948 56.287 -0.585 0.000 0.952 342 K CB -0.110 31.894 32.500 -0.826 0.000 0.753 342 K HN 0.139 nan 8.250 nan 0.000 0.466 343 Y N 1.200 121.351 120.300 -0.249 0.000 2.485 343 Y HA 0.307 4.857 4.550 -0.000 0.000 0.260 343 Y C 0.989 176.705 175.900 -0.307 0.000 1.173 343 Y CA 0.060 57.949 58.100 -0.351 0.000 1.252 343 Y CB 0.632 38.671 38.460 -0.700 0.000 1.123 343 Y HN 0.361 nan 8.280 nan 0.000 0.524 344 G N 0.893 109.622 108.800 -0.119 0.000 2.663 344 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 344 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 344 G C -0.697 174.163 174.900 -0.067 0.000 1.288 344 G CA -0.905 44.153 45.100 -0.069 0.000 0.836 344 G HN 0.176 nan 8.290 nan 0.000 0.584 345 N N 0.859 119.541 118.700 -0.031 0.000 3.178 345 N HA 0.235 4.975 4.740 -0.000 0.000 0.300 345 N C 1.191 176.770 175.510 0.116 0.000 1.242 345 N CA 0.042 53.076 53.050 -0.026 0.000 1.192 345 N CB -0.872 37.561 38.487 -0.090 0.000 1.463 345 N HN 0.784 nan 8.380 nan 0.000 0.539 346 I N -2.112 118.496 120.570 0.062 0.000 3.004 346 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 346 I C -0.115 176.091 176.117 0.148 0.000 1.144 346 I CA -0.647 60.721 61.300 0.114 0.000 1.353 346 I CB 0.558 38.601 38.000 0.071 0.000 1.417 346 I HN -0.040 nan 8.210 nan 0.000 0.602 347 D N 4.575 125.070 120.400 0.157 0.000 2.383 347 D HA 0.487 5.127 4.640 -0.000 0.000 0.252 347 D C -0.268 176.120 176.300 0.146 0.000 1.166 347 D CA 0.423 54.500 54.000 0.128 0.000 0.879 347 D CB 0.962 41.852 40.800 0.150 0.000 1.164 347 D HN 0.379 nan 8.370 nan 0.000 0.462 348 I N 2.453 123.048 120.570 0.043 0.000 2.545 348 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 348 I C -0.965 175.129 176.117 -0.039 0.000 1.040 348 I CA -0.983 60.371 61.300 0.090 0.000 1.068 348 I CB 1.428 39.470 38.000 0.071 0.000 1.251 348 I HN 0.170 nan 8.210 nan 0.000 0.424 349 Y N 5.271 125.616 120.300 0.075 0.000 2.364 349 Y HA 0.423 4.972 4.550 -0.000 0.000 0.340 349 Y C 0.084 175.981 175.900 -0.005 0.000 0.975 349 Y CA -0.999 57.101 58.100 0.001 0.000 1.089 349 Y CB 1.723 40.154 38.460 -0.048 0.000 1.192 349 Y HN 0.259 nan 8.280 nan 0.000 0.454 350 I N 3.909 124.554 120.570 0.125 0.000 2.311 350 I HA 0.016 4.186 4.170 -0.000 0.000 0.297 350 I C 1.274 177.376 176.117 -0.026 0.000 1.131 350 I CA 0.094 61.453 61.300 0.098 0.000 1.289 350 I CB -0.208 37.916 38.000 0.207 0.000 1.446 350 I HN 0.778 nan 8.210 nan 0.000 0.524 351 T N 2.286 116.827 114.554 -0.022 0.000 3.055 351 T HA 0.101 4.451 4.350 -0.000 0.000 0.265 351 T C 0.596 175.275 174.700 -0.034 0.000 1.111 351 T CA 0.499 62.541 62.100 -0.098 0.000 1.118 351 T CB 0.172 68.992 68.868 -0.079 0.000 0.909 351 T HN 0.577 nan 8.240 nan 0.000 0.501 352 E N 0.727 120.909 120.200 -0.030 0.000 2.321 352 E HA 0.440 4.790 4.350 -0.000 0.000 0.281 352 E C -1.443 175.045 176.600 -0.187 0.000 0.910 352 E CA -0.691 55.712 56.400 0.005 0.000 0.770 352 E CB 1.742 31.470 29.700 0.047 0.000 1.225 352 E HN 0.228 nan 8.360 nan 0.000 0.417 353 N N 2.069 120.683 118.700 -0.144 0.000 2.600 353 N HA 0.477 5.217 4.740 -0.000 0.000 0.272 353 N C -1.354 174.268 175.510 0.186 0.000 1.095 353 N CA -0.201 52.784 53.050 -0.108 0.000 0.993 353 N CB 1.880 40.467 38.487 0.166 0.000 1.603 353 N HN 0.654 nan 8.380 nan 0.000 0.526 354 G N 1.038 110.004 108.800 0.277 0.000 2.488 354 G HA2 0.775 4.735 3.960 -0.000 0.000 0.301 354 G HA3 0.775 4.735 3.960 -0.000 0.000 0.301 354 G C -2.066 172.814 174.900 -0.034 0.000 1.339 354 G CA -0.157 45.134 45.100 0.317 0.000 0.803 354 G HN 0.672 nan 8.290 nan 0.000 0.482 355 A N -1.573 121.098 122.820 -0.249 0.000 2.539 355 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 355 A C -0.604 176.447 177.584 -0.889 0.000 1.073 355 A CA -0.125 51.534 52.037 -0.630 0.000 0.700 355 A CB 1.350 19.795 19.000 -0.924 0.000 1.296 355 A HN 2.061 nan 8.150 nan 0.000 0.405 356 C N 3.923 122.475 119.300 -1.248 0.000 2.322 356 C HA 0.661 5.121 4.460 -0.000 0.000 0.343 356 C C -0.704 173.936 174.990 -0.584 0.000 1.190 356 C CA -0.352 57.922 59.018 -1.239 0.000 1.704 356 C CB -2.137 24.842 27.740 -1.269 0.000 2.293 356 C HN 0.469 nan 8.230 nan 0.000 0.523 357 I N 7.580 127.915 120.570 -0.392 0.000 2.448 357 I HA 0.282 4.452 4.170 -0.000 0.000 0.281 357 I C 0.366 176.399 176.117 -0.141 0.000 1.027 357 I CA -0.086 61.087 61.300 -0.213 0.000 1.111 357 I CB 1.238 39.149 38.000 -0.148 0.000 1.236 357 I HN 0.619 nan 8.210 nan 0.000 0.452 358 N N 3.432 122.065 118.700 -0.110 0.000 2.501 358 N HA -0.015 4.724 4.740 -0.000 0.000 0.195 358 N C -0.089 175.422 175.510 0.002 0.000 1.213 358 N CA 0.142 53.165 53.050 -0.045 0.000 0.864 358 N CB 0.050 38.508 38.487 -0.048 0.000 0.999 358 N HN 0.475 nan 8.380 nan 0.000 0.454 359 D N 1.501 121.896 120.400 -0.009 0.000 2.506 359 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 359 D C 0.821 177.131 176.300 0.017 0.000 1.143 359 D CA 0.851 54.849 54.000 -0.003 0.000 0.871 359 D CB 1.326 42.117 40.800 -0.016 0.000 1.190 359 D HN 0.173 nan 8.370 nan 0.000 0.459 360 E N 0.131 120.317 120.200 -0.024 0.000 2.390 360 E HA 0.352 4.702 4.350 -0.000 0.000 0.249 360 E C -0.391 176.072 176.600 -0.228 0.000 0.981 360 E CA -1.023 55.314 56.400 -0.105 0.000 0.860 360 E CB 1.256 30.944 29.700 -0.020 0.000 1.278 360 E HN 0.060 nan 8.360 nan 0.000 0.416 361 V N 1.619 121.300 119.914 -0.389 0.000 2.439 361 V HA 0.110 4.230 4.120 -0.000 0.000 0.271 361 V C -0.085 175.923 176.094 -0.144 0.000 1.040 361 V CA -0.053 62.074 62.300 -0.288 0.000 1.002 361 V CB 0.547 32.173 31.823 -0.329 0.000 1.000 361 V HN 0.261 nan 8.190 nan 0.000 0.477 362 V N 5.447 125.301 119.914 -0.100 0.000 2.525 362 V HA 0.477 4.597 4.120 -0.000 0.000 0.299 362 V C 0.246 176.309 176.094 -0.051 0.000 1.034 362 V CA -0.906 61.357 62.300 -0.062 0.000 0.863 362 V CB 1.631 33.427 31.823 -0.046 0.000 0.999 362 V HN 0.961 nan 8.190 nan 0.000 0.423 363 N N 3.850 122.524 118.700 -0.044 0.000 2.740 363 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 363 N C 1.162 176.647 175.510 -0.041 0.000 1.062 363 N CA 1.493 54.521 53.050 -0.037 0.000 0.704 363 N CB -1.007 37.463 38.487 -0.029 0.000 0.968 363 N HN 1.615 nan 8.380 nan 0.000 0.547 364 G N -0.913 107.857 108.800 -0.051 0.000 2.162 364 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.260 364 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.260 364 G C 0.007 174.877 174.900 -0.050 0.000 0.976 364 G CA 1.308 46.377 45.100 -0.051 0.000 0.655 364 G HN 0.919 nan 8.290 nan 0.000 0.533 365 K N -1.601 118.767 120.400 -0.054 0.000 2.533 365 K HA 0.760 5.080 4.320 -0.000 0.000 0.272 365 K C -1.086 175.479 176.600 -0.059 0.000 0.985 365 K CA -1.086 55.181 56.287 -0.033 0.000 0.876 365 K CB 2.190 34.688 32.500 -0.003 0.000 1.452 365 K HN 0.299 nan 8.250 nan 0.000 0.439 366 V N 1.969 121.862 119.914 -0.035 0.000 2.313 366 V HA 0.160 4.280 4.120 -0.000 0.000 0.278 366 V C -0.435 175.662 176.094 0.005 0.000 1.017 366 V CA -0.511 61.760 62.300 -0.048 0.000 0.823 366 V CB 0.772 32.559 31.823 -0.060 0.000 1.010 366 V HN 0.771 nan 8.190 nan 0.000 0.443 367 Q N 3.783 123.580 119.800 -0.006 0.000 3.254 367 Q HA 0.099 4.439 4.340 -0.000 0.000 0.315 367 Q C 0.427 176.427 176.000 0.000 0.000 1.405 367 Q CA -0.218 55.589 55.803 0.007 0.000 0.966 367 Q CB -0.244 28.492 28.738 -0.003 0.000 1.706 367 Q HN 0.846 nan 8.270 nan 0.000 0.525 368 D N -0.344 120.061 120.400 0.008 0.000 2.801 368 D HA -0.039 4.600 4.640 -0.000 0.000 0.232 368 D C -0.288 175.996 176.300 -0.027 0.000 1.128 368 D CA -0.145 53.850 54.000 -0.008 0.000 1.003 368 D CB 0.418 41.217 40.800 -0.001 0.000 1.110 368 D HN 0.216 nan 8.370 nan 0.000 0.477 369 D N 1.028 121.408 120.400 -0.032 0.000 2.178 369 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 369 D C 1.723 177.981 176.300 -0.069 0.000 0.980 369 D CA 0.824 54.790 54.000 -0.058 0.000 0.842 369 D CB 0.112 40.889 40.800 -0.038 0.000 0.948 369 D HN 0.403 nan 8.370 nan 0.000 0.472 370 R N 0.226 120.702 120.500 -0.039 0.000 2.148 370 R HA -0.013 4.327 4.340 -0.000 0.000 0.227 370 R C 2.288 178.589 176.300 0.000 0.000 1.103 370 R CA 0.657 56.748 56.100 -0.014 0.000 0.983 370 R CB -0.020 30.274 30.300 -0.009 0.000 0.874 370 R HN 0.070 nan 8.270 nan 0.000 0.451 371 R N 0.972 121.451 120.500 -0.035 0.000 2.075 371 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 371 R C 1.925 178.188 176.300 -0.061 0.000 1.114 371 R CA 1.099 57.187 56.100 -0.020 0.000 0.972 371 R CB -0.130 30.151 30.300 -0.032 0.000 0.869 371 R HN 0.125 nan 8.270 nan 0.000 0.437 372 I N 0.422 120.863 120.570 -0.216 0.000 2.226 372 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 372 I C 2.464 178.272 176.117 -0.516 0.000 1.100 372 I CA 1.492 62.419 61.300 -0.621 0.000 1.374 372 I CB -0.391 37.191 38.000 -0.695 0.000 1.057 372 I HN 0.316 nan 8.210 nan 0.000 0.413 373 S N 0.230 115.796 115.700 -0.224 0.000 2.348 373 S HA -0.279 4.191 4.470 -0.000 0.000 0.221 373 S C 2.187 176.801 174.600 0.023 0.000 1.033 373 S CA 1.480 59.621 58.200 -0.098 0.000 1.010 373 S CB -0.514 62.670 63.200 -0.026 0.000 0.891 373 S HN 0.476 nan 8.310 nan 0.000 0.442 374 Y N 1.775 122.081 120.300 0.009 0.000 2.081 374 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 374 Y C 2.312 178.378 175.900 0.276 0.000 1.163 374 Y CA 2.377 60.577 58.100 0.168 0.000 1.135 374 Y CB -0.490 38.049 38.460 0.132 0.000 0.970 374 Y HN 0.294 nan 8.280 nan 0.000 0.498 375 M N -0.312 119.518 119.600 0.382 0.000 2.117 375 M HA -0.296 4.184 4.480 -0.000 0.000 0.262 375 M C 2.351 178.829 176.300 0.296 0.000 1.065 375 M CA 1.911 57.444 55.300 0.389 0.000 1.114 375 M CB -0.549 32.280 32.600 0.382 0.000 1.361 375 M HN 0.393 nan 8.290 nan 0.000 0.408 376 Q N 0.303 120.175 119.800 0.120 0.000 2.061 376 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 376 Q C 2.063 178.090 176.000 0.045 0.000 0.984 376 Q CA 1.752 57.654 55.803 0.164 0.000 0.846 376 Q CB -0.101 28.658 28.738 0.035 0.000 0.902 376 Q HN 0.590 nan 8.270 nan 0.000 0.421 377 Q N -0.970 118.816 119.800 -0.023 0.000 2.135 377 Q HA -0.210 4.129 4.340 -0.000 0.000 0.204 377 Q C 1.751 177.597 176.000 -0.257 0.000 0.981 377 Q CA 1.585 57.290 55.803 -0.164 0.000 0.856 377 Q CB -0.090 28.512 28.738 -0.227 0.000 0.902 377 Q HN 0.542 nan 8.270 nan 0.000 0.425 378 H N -0.128 118.894 119.070 -0.080 0.000 2.403 378 H HA 0.007 4.563 4.556 -0.000 0.000 0.298 378 H C 1.876 177.221 175.328 0.028 0.000 1.059 378 H CA 0.890 56.934 56.048 -0.007 0.000 1.363 378 H CB 0.057 29.864 29.762 0.075 0.000 1.410 378 H HN 0.099 nan 8.280 nan 0.000 0.528 379 L N -0.330 120.959 121.223 0.109 0.000 2.141 379 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 379 L C 2.090 179.020 176.870 0.101 0.000 1.094 379 L CA 0.490 55.391 54.840 0.101 0.000 0.763 379 L CB -0.249 41.894 42.059 0.139 0.000 0.908 379 L HN 0.187 nan 8.230 nan 0.000 0.437 380 V N -0.589 119.238 119.914 -0.145 0.000 2.343 380 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 380 V C 2.552 178.535 176.094 -0.185 0.000 1.051 380 V CA 1.486 63.516 62.300 -0.450 0.000 1.036 380 V CB -0.431 31.035 31.823 -0.593 0.000 0.654 380 V HN 0.483 nan 8.190 nan 0.000 0.451 381 Q N -0.457 119.280 119.800 -0.105 0.000 2.170 381 Q HA -0.129 4.210 4.340 -0.000 0.000 0.203 381 Q C 2.346 178.401 176.000 0.092 0.000 0.976 381 Q CA 1.426 57.218 55.803 -0.018 0.000 0.858 381 Q CB -0.695 28.015 28.738 -0.046 0.000 0.907 381 Q HN 0.565 nan 8.270 nan 0.000 0.433 382 V N 0.923 120.914 119.914 0.129 0.000 2.307 382 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 382 V C 2.457 178.626 176.094 0.123 0.000 1.045 382 V CA 1.934 64.348 62.300 0.190 0.000 1.024 382 V CB -0.810 31.195 31.823 0.303 0.000 0.651 382 V HN 0.483 nan 8.190 nan 0.000 0.449 383 H N 0.699 119.732 119.070 -0.061 0.000 2.352 383 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 383 H C 2.544 177.841 175.328 -0.052 0.000 1.097 383 H CA 2.286 58.143 56.048 -0.319 0.000 1.311 383 H CB 0.024 29.468 29.762 -0.531 0.000 1.377 383 H HN 0.290 nan 8.280 nan 0.000 0.504 384 R N 0.028 120.591 120.500 0.104 0.000 2.080 384 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 384 R C 2.664 179.082 176.300 0.197 0.000 1.137 384 R CA 2.612 58.803 56.100 0.151 0.000 0.943 384 R CB -0.370 29.983 30.300 0.090 0.000 0.846 384 R HN 0.544 nan 8.270 nan 0.000 0.431 385 T N -1.015 113.656 114.554 0.195 0.000 2.788 385 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 385 T C 2.024 176.704 174.700 -0.032 0.000 1.044 385 T CA 1.420 63.568 62.100 0.080 0.000 1.139 385 T CB -0.424 68.423 68.868 -0.035 0.000 0.867 385 T HN 0.233 nan 8.240 nan 0.000 0.454 386 I N 0.943 121.487 120.570 -0.043 0.000 2.208 386 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 386 I C 2.486 178.483 176.117 -0.199 0.000 1.097 386 I CA 1.611 62.846 61.300 -0.108 0.000 1.363 386 I CB -0.458 37.469 38.000 -0.121 0.000 1.051 386 I HN 0.293 nan 8.210 nan 0.000 0.413 387 H N -0.286 118.641 119.070 -0.239 0.000 2.547 387 H HA -0.047 4.509 4.556 -0.000 0.000 0.272 387 H C 1.189 176.479 175.328 -0.063 0.000 0.989 387 H CA 0.683 56.624 56.048 -0.177 0.000 1.214 387 H CB -0.189 29.433 29.762 -0.233 0.000 1.389 387 H HN 0.168 nan 8.280 nan 0.000 0.577 388 D N -0.901 119.520 120.400 0.036 0.000 2.340 388 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 388 D C 1.416 177.682 176.300 -0.057 0.000 1.039 388 D CA 0.772 54.809 54.000 0.062 0.000 0.866 388 D CB 0.228 41.156 40.800 0.214 0.000 0.913 388 D HN 0.540 nan 8.370 nan 0.000 0.523 389 G N 0.495 109.210 108.800 -0.141 0.000 2.176 389 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 389 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 389 G C 0.368 175.067 174.900 -0.336 0.000 0.979 389 G CA -0.056 44.920 45.100 -0.206 0.000 0.641 389 G HN 0.319 nan 8.290 nan 0.000 0.530 390 L N 0.933 121.971 121.223 -0.308 0.000 2.417 390 L HA 0.347 4.687 4.340 -0.000 0.000 0.268 390 L C 0.755 177.452 176.870 -0.288 0.000 1.158 390 L CA -0.839 53.780 54.840 -0.369 0.000 0.819 390 L CB 0.444 42.303 42.059 -0.335 0.000 1.112 390 L HN 0.076 nan 8.230 nan 0.000 0.458 391 H N 2.360 121.378 119.070 -0.087 0.000 2.768 391 H HA 0.159 4.715 4.556 -0.000 0.000 0.219 391 H C -0.424 174.855 175.328 -0.081 0.000 1.898 391 H CA -0.203 55.804 56.048 -0.068 0.000 1.313 391 H CB -0.347 29.384 29.762 -0.050 0.000 1.701 391 H HN 0.151 nan 8.280 nan 0.000 0.534 392 V N 2.865 122.802 119.914 0.038 0.000 2.389 392 V HA 0.025 4.144 4.120 -0.000 0.000 0.264 392 V C 1.309 177.422 176.094 0.031 0.000 1.049 392 V CA -0.333 61.984 62.300 0.027 0.000 0.932 392 V CB 1.224 33.107 31.823 0.100 0.000 1.011 392 V HN 0.385 nan 8.190 nan 0.000 0.475 393 K N 3.291 123.513 120.400 -0.296 0.000 2.323 393 K HA 0.300 4.620 4.320 -0.000 0.000 0.197 393 K C 0.773 176.907 176.600 -0.775 0.000 1.043 393 K CA 0.612 56.582 56.287 -0.530 0.000 0.997 393 K CB 0.930 32.806 32.500 -1.040 0.000 0.807 393 K HN 0.801 nan 8.250 nan 0.000 0.497 394 G N -0.152 108.196 108.800 -0.753 0.000 2.559 394 G HA2 0.391 4.351 3.960 -0.000 0.000 0.291 394 G HA3 0.391 4.351 3.960 -0.000 0.000 0.291 394 G C -2.266 172.415 174.900 -0.366 0.000 1.424 394 G CA -0.641 43.844 45.100 -1.026 0.000 0.786 394 G HN 0.019 nan 8.290 nan 0.000 0.485 395 Y N 0.022 120.069 120.300 -0.422 0.000 2.396 395 Y HA 0.755 5.305 4.550 -0.000 0.000 0.332 395 Y C -0.923 175.066 175.900 0.150 0.000 1.034 395 Y CA -1.026 57.097 58.100 0.038 0.000 1.057 395 Y CB 2.102 40.723 38.460 0.269 0.000 1.220 395 Y HN 0.516 nan 8.280 nan 0.000 0.440 396 M N 6.033 125.443 119.600 -0.317 0.000 2.134 396 M HA 0.605 5.085 4.480 -0.000 0.000 0.310 396 M C -0.421 175.681 176.300 -0.331 0.000 0.966 396 M CA -0.705 54.493 55.300 -0.171 0.000 0.922 396 M CB 1.786 34.299 32.600 -0.145 0.000 1.537 396 M HN 0.819 nan 8.290 nan 0.000 0.424 397 A N 4.024 126.763 122.820 -0.135 0.000 2.522 397 A HA 0.018 4.338 4.320 -0.000 0.000 0.256 397 A C -0.590 176.999 177.584 0.008 0.000 1.086 397 A CA -0.210 51.761 52.037 -0.110 0.000 0.763 397 A CB 0.120 19.013 19.000 -0.178 0.000 1.024 397 A HN 0.962 nan 8.150 nan 0.000 0.502 398 W N 3.563 124.858 121.300 -0.008 0.000 2.529 398 W HA 0.337 4.996 4.660 -0.000 0.000 0.319 398 W C -0.433 176.175 176.519 0.148 0.000 1.362 398 W CA 0.687 58.088 57.345 0.093 0.000 1.348 398 W CB 0.185 29.775 29.460 0.217 0.000 1.403 398 W HN 0.881 nan 8.180 nan 0.000 0.519 399 S N 4.340 119.358 115.700 -1.137 0.000 3.027 399 S HA -0.261 4.209 4.470 -0.000 0.000 0.809 399 S C 0.316 174.700 174.600 -0.360 0.000 0.729 399 S CA 0.074 57.687 58.200 -0.978 0.000 1.515 399 S CB -1.057 61.556 63.200 -0.978 0.000 1.062 399 S HN 0.714 nan 8.310 nan 0.000 0.682 400 L N 4.911 125.986 121.223 -0.246 0.000 2.093 400 L HA 0.322 4.662 4.340 -0.000 0.000 0.208 400 L C 0.463 177.296 176.870 -0.061 0.000 1.085 400 L CA 2.000 56.804 54.840 -0.060 0.000 0.755 400 L CB 0.027 42.098 42.059 0.019 0.000 0.904 400 L HN 0.673 nan 8.230 nan 0.000 0.435 401 L N -0.787 120.373 121.223 -0.106 0.000 2.354 401 L HA 0.404 4.744 4.340 -0.000 0.000 0.264 401 L C -0.642 176.198 176.870 -0.050 0.000 1.008 401 L CA -1.201 53.597 54.840 -0.069 0.000 0.819 401 L CB 1.345 43.380 42.059 -0.041 0.000 1.339 401 L HN -0.200 nan 8.230 nan 0.000 0.420 402 D N 1.451 121.844 120.400 -0.012 0.000 2.399 402 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 402 D C -0.582 175.884 176.300 0.277 0.000 1.133 402 D CA 0.377 54.442 54.000 0.108 0.000 0.890 402 D CB 0.938 41.769 40.800 0.052 0.000 1.201 402 D HN 0.640 nan 8.370 nan 0.000 0.432 403 N N -0.671 118.197 118.700 0.280 0.000 3.344 403 N HA 0.254 4.994 4.740 -0.000 0.000 0.296 403 N C -1.311 174.165 175.510 -0.057 0.000 1.571 403 N CA -0.885 52.300 53.050 0.224 0.000 0.844 403 N CB 0.187 38.687 38.487 0.022 0.000 1.718 403 N HN 0.210 nan 8.380 nan 0.000 0.589 404 F N 1.124 120.798 119.950 -0.459 0.000 2.468 404 F HA 0.301 4.828 4.527 -0.000 0.000 0.356 404 F C 0.659 175.986 175.800 -0.788 0.000 1.167 404 F CA -0.451 56.940 58.000 -1.016 0.000 1.135 404 F CB 0.309 38.725 39.000 -0.973 0.000 1.197 404 F HN 0.511 nan 8.300 nan 0.000 0.569 405 E N 7.520 127.126 120.200 -0.989 0.000 2.515 405 E HA 0.089 4.439 4.350 -0.000 0.000 0.315 405 E C -0.044 176.133 176.600 -0.707 0.000 1.523 405 E CA -0.113 55.868 56.400 -0.698 0.000 1.704 405 E CB -0.800 28.765 29.700 -0.225 0.000 1.395 405 E HN 0.744 nan 8.360 nan 0.000 0.490 406 W N 0.692 121.387 121.300 -1.008 0.000 1.933 406 W HA -0.474 4.186 4.660 -0.000 0.000 0.279 406 W C 1.849 178.165 176.519 -0.338 0.000 1.131 406 W CA 0.956 57.829 57.345 -0.787 0.000 1.071 406 W CB -1.642 27.549 29.460 -0.448 0.000 0.881 406 W HN 0.341 nan 8.180 nan 0.000 0.547 407 A N 0.098 123.223 122.820 0.507 0.000 2.178 407 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 407 A C 1.614 179.360 177.584 0.270 0.000 1.157 407 A CA 1.995 54.328 52.037 0.494 0.000 0.689 407 A CB -0.558 18.809 19.000 0.612 0.000 0.787 407 A HN 0.477 nan 8.150 nan 0.000 0.465 408 E N -0.851 119.414 120.200 0.108 0.000 2.442 408 E HA 0.239 4.589 4.350 -0.000 0.000 0.195 408 E C 1.443 178.038 176.600 -0.008 0.000 1.030 408 E CA 0.673 57.092 56.400 0.032 0.000 0.869 408 E CB -0.316 29.374 29.700 -0.016 0.000 0.857 408 E HN 0.665 nan 8.360 nan 0.000 0.505 409 G N 1.117 109.773 108.800 -0.240 0.000 2.539 409 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.256 409 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.256 409 G C 0.256 174.854 174.900 -0.504 0.000 1.233 409 G CA 0.223 45.142 45.100 -0.302 0.000 0.936 409 G HN 0.267 nan 8.290 nan 0.000 0.571 410 Y N 1.219 121.498 120.300 -0.036 0.000 2.466 410 Y HA 0.204 4.753 4.550 -0.000 0.000 0.272 410 Y C 2.424 178.322 175.900 -0.003 0.000 1.169 410 Y CA 0.665 58.665 58.100 -0.166 0.000 1.285 410 Y CB -0.007 38.184 38.460 -0.449 0.000 1.078 410 Y HN 0.440 nan 8.280 nan 0.000 0.523 411 N N 0.138 118.907 118.700 0.116 0.000 2.453 411 N HA -0.064 4.676 4.740 -0.000 0.000 0.183 411 N C -0.119 175.379 175.510 -0.020 0.000 1.041 411 N CA 0.882 53.965 53.050 0.054 0.000 0.900 411 N CB 0.079 38.494 38.487 -0.120 0.000 0.961 411 N HN -0.030 nan 8.380 nan 0.000 0.443 412 M N 1.080 120.670 119.600 -0.016 0.000 2.134 412 M HA 0.314 4.794 4.480 -0.000 0.000 0.310 412 M C -0.756 175.589 176.300 0.075 0.000 0.966 412 M CA -0.241 55.045 55.300 -0.024 0.000 0.922 412 M CB 1.683 34.272 32.600 -0.019 0.000 1.537 412 M HN -0.103 nan 8.290 nan 0.000 0.424 413 R N 2.095 122.600 120.500 0.008 0.000 2.265 413 R HA 0.432 4.772 4.340 -0.000 0.000 0.319 413 R C -0.266 176.014 176.300 -0.033 0.000 1.006 413 R CA -0.129 56.010 56.100 0.065 0.000 0.880 413 R CB 1.077 31.410 30.300 0.054 0.000 1.077 413 R HN 0.526 nan 8.270 nan 0.000 0.454 414 F N 0.176 120.122 119.950 -0.005 0.000 2.706 414 F HA 0.254 4.781 4.527 -0.000 0.000 0.313 414 F C 1.412 177.175 175.800 -0.062 0.000 1.096 414 F CA -0.331 57.671 58.000 0.004 0.000 1.219 414 F CB 1.034 40.125 39.000 0.151 0.000 1.051 414 F HN 0.629 nan 8.300 nan 0.000 0.568 415 G N -0.125 108.724 108.800 0.083 0.000 2.537 415 G HA2 0.318 4.277 3.960 -0.000 0.000 0.273 415 G HA3 0.318 4.277 3.960 -0.000 0.000 0.273 415 G C 0.696 175.606 174.900 0.017 0.000 1.189 415 G CA -0.420 44.680 45.100 -0.000 0.000 0.881 415 G HN 0.092 nan 8.290 nan 0.000 0.535 416 M N -0.135 119.477 119.600 0.020 0.000 2.510 416 M HA 0.280 4.760 4.480 -0.000 0.000 0.256 416 M C 0.141 176.485 176.300 0.073 0.000 1.132 416 M CA 0.838 56.183 55.300 0.074 0.000 1.105 416 M CB 0.235 32.901 32.600 0.110 0.000 1.375 416 M HN 0.235 nan 8.290 nan 0.000 0.477 417 I N 0.183 120.766 120.570 0.021 0.000 2.389 417 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 417 I C -0.012 176.088 176.117 -0.028 0.000 0.999 417 I CA -0.755 60.517 61.300 -0.046 0.000 1.129 417 I CB 1.289 39.240 38.000 -0.082 0.000 1.288 417 I HN 0.066 nan 8.210 nan 0.000 0.444 418 H N 6.689 125.691 119.070 -0.113 0.000 2.764 418 H HA 0.362 4.918 4.556 -0.000 0.000 0.341 418 H C -1.389 173.822 175.328 -0.196 0.000 1.072 418 H CA 0.018 55.991 56.048 -0.125 0.000 1.444 418 H CB 1.419 31.119 29.762 -0.102 0.000 1.458 418 H HN 0.274 nan 8.280 nan 0.000 0.572 419 V N 5.918 125.368 119.914 -0.773 0.000 2.444 419 V HA 0.024 4.144 4.120 -0.000 0.000 0.294 419 V C -0.007 175.414 176.094 -1.122 0.000 1.022 419 V CA -0.903 60.938 62.300 -0.765 0.000 0.850 419 V CB 1.636 33.010 31.823 -0.749 0.000 0.992 419 V HN 0.761 nan 8.190 nan 0.000 0.426 420 D N 3.961 124.012 120.400 -0.582 0.000 2.393 420 D HA 0.230 4.870 4.640 -0.000 0.000 0.232 420 D C 0.698 176.751 176.300 -0.410 0.000 1.192 420 D CA -0.294 53.489 54.000 -0.362 0.000 0.882 420 D CB 0.826 41.592 40.800 -0.057 0.000 1.038 420 D HN 0.374 nan 8.370 nan 0.000 0.499 421 F N 2.418 122.281 119.950 -0.143 0.000 2.583 421 F HA -0.030 4.497 4.527 -0.000 0.000 0.297 421 F C 2.269 177.984 175.800 -0.141 0.000 1.131 421 F CA 0.524 58.407 58.000 -0.195 0.000 1.467 421 F CB -0.130 38.661 39.000 -0.349 0.000 1.097 421 F HN 0.300 nan 8.300 nan 0.000 0.586 422 R N -0.633 119.875 120.500 0.014 0.000 2.100 422 R HA -0.020 4.320 4.340 -0.000 0.000 0.220 422 R C 1.992 178.284 176.300 -0.014 0.000 1.091 422 R CA 1.747 57.851 56.100 0.007 0.000 0.986 422 R CB -0.467 29.840 30.300 0.012 0.000 0.888 422 R HN 0.363 nan 8.270 nan 0.000 0.444 423 T N -3.414 111.117 114.554 -0.037 0.000 2.975 423 T HA 0.089 4.439 4.350 -0.000 0.000 0.257 423 T C 0.670 175.338 174.700 -0.054 0.000 1.003 423 T CA -0.338 61.739 62.100 -0.039 0.000 0.932 423 T CB 0.673 69.518 68.868 -0.037 0.000 1.087 423 T HN -0.051 nan 8.240 nan 0.000 0.512 424 Q N -0.098 119.649 119.800 -0.087 0.000 2.362 424 Q HA -0.124 4.216 4.340 -0.000 0.000 0.220 424 Q C -0.049 175.885 176.000 -0.110 0.000 0.713 424 Q CA 0.459 56.202 55.803 -0.099 0.000 1.345 424 Q CB -2.558 26.158 28.738 -0.038 0.000 1.570 424 Q HN 0.584 nan 8.270 nan 0.000 0.701 425 V N 1.861 121.713 119.914 -0.103 0.000 2.585 425 V HA 0.077 4.197 4.120 -0.000 0.000 0.296 425 V C 0.907 176.944 176.094 -0.095 0.000 1.035 425 V CA 0.381 62.633 62.300 -0.080 0.000 1.084 425 V CB 0.821 32.613 31.823 -0.051 0.000 0.953 425 V HN 0.102 nan 8.190 nan 0.000 0.483 426 R N 2.901 123.349 120.500 -0.086 0.000 2.312 426 R HA 0.581 4.920 4.340 -0.000 0.000 0.311 426 R C -0.254 176.003 176.300 -0.071 0.000 1.004 426 R CA -0.094 55.950 56.100 -0.093 0.000 0.902 426 R CB 1.286 31.522 30.300 -0.107 0.000 1.073 426 R HN 0.756 nan 8.270 nan 0.000 0.457 427 T N 5.528 120.057 114.554 -0.043 0.000 2.963 427 T HA 0.316 4.666 4.350 -0.000 0.000 0.328 427 T C -2.585 172.052 174.700 -0.105 0.000 1.048 427 T CA -1.591 60.475 62.100 -0.057 0.000 1.033 427 T CB 1.572 70.420 68.868 -0.034 0.000 1.010 427 T HN 0.262 nan 8.240 nan 0.000 0.469 428 P HA 0.101 nan 4.420 nan 0.000 0.262 428 P C 0.070 177.251 177.300 -0.198 0.000 1.182 428 P CA -0.036 62.758 63.100 -0.509 0.000 0.761 428 P CB 0.546 31.489 31.700 -1.262 0.000 0.795 429 K N 2.550 122.904 120.400 -0.078 0.000 2.117 429 K HA 0.125 4.445 4.320 -0.000 0.000 0.240 429 K C 1.413 178.119 176.600 0.177 0.000 1.031 429 K CA -0.526 55.797 56.287 0.061 0.000 0.909 429 K CB 0.386 32.926 32.500 0.067 0.000 1.097 429 K HN 0.359 nan 8.250 nan 0.000 0.492 430 E N 0.649 120.979 120.200 0.217 0.000 2.204 430 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 430 E C 1.922 178.713 176.600 0.318 0.000 0.990 430 E CA 1.556 58.143 56.400 0.312 0.000 0.821 430 E CB -0.285 29.523 29.700 0.180 0.000 0.750 430 E HN 0.659 nan 8.360 nan 0.000 0.477 431 S N 0.080 115.916 115.700 0.227 0.000 2.402 431 S HA -0.192 4.277 4.470 -0.000 0.000 0.229 431 S C 2.100 176.925 174.600 0.374 0.000 1.021 431 S CA 0.878 59.245 58.200 0.278 0.000 0.974 431 S CB -0.639 62.655 63.200 0.156 0.000 0.800 431 S HN 0.359 nan 8.310 nan 0.000 0.484 432 Y N 1.881 122.220 120.300 0.065 0.000 2.114 432 Y HA -0.172 4.378 4.550 -0.000 0.000 0.284 432 Y C 2.038 177.883 175.900 -0.092 0.000 1.143 432 Y CA 1.548 59.601 58.100 -0.079 0.000 1.135 432 Y CB -0.754 37.491 38.460 -0.358 0.000 0.980 432 Y HN 0.211 nan 8.280 nan 0.000 0.499 433 Y N -1.680 118.866 120.300 0.410 0.000 2.274 433 Y HA -0.228 4.322 4.550 -0.000 0.000 0.290 433 Y C 2.288 178.258 175.900 0.117 0.000 1.145 433 Y CA 1.421 59.657 58.100 0.227 0.000 1.203 433 Y CB -1.261 37.333 38.460 0.223 0.000 0.984 433 Y HN 0.435 nan 8.280 nan 0.000 0.533 434 W N -0.578 120.816 121.300 0.156 0.000 2.379 434 W HA -0.282 4.378 4.660 -0.000 0.000 0.307 434 W C 2.242 178.769 176.519 0.012 0.000 1.200 434 W CA 1.618 59.007 57.345 0.073 0.000 1.297 434 W CB -0.990 28.524 29.460 0.092 0.000 1.140 434 W HN 0.135 nan 8.180 nan 0.000 0.507 435 Y N 1.677 121.871 120.300 -0.176 0.000 2.181 435 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 435 Y C 2.851 178.395 175.900 -0.593 0.000 1.146 435 Y CA 2.527 60.316 58.100 -0.519 0.000 1.164 435 Y CB -0.999 37.367 38.460 -0.155 0.000 0.982 435 Y HN 0.007 nan 8.280 nan 0.000 0.515 436 R N 0.355 120.589 120.500 -0.443 0.000 2.117 436 R HA -0.224 4.116 4.340 -0.000 0.000 0.243 436 R C 1.962 177.958 176.300 -0.506 0.000 1.143 436 R CA 1.886 57.687 56.100 -0.498 0.000 0.968 436 R CB -0.488 29.599 30.300 -0.355 0.000 0.863 436 R HN 0.477 nan 8.270 nan 0.000 0.444 437 N N -0.240 118.173 118.700 -0.478 0.000 2.106 437 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 437 N C 1.860 176.934 175.510 -0.726 0.000 1.029 437 N CA 1.539 54.281 53.050 -0.512 0.000 0.848 437 N CB 0.058 38.294 38.487 -0.418 0.000 1.007 437 N HN 0.058 nan 8.380 nan 0.000 0.423 438 V N 1.742 121.090 119.914 -0.944 0.000 2.261 438 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 438 V C 2.596 177.975 176.094 -1.192 0.000 1.047 438 V CA 1.773 63.440 62.300 -1.056 0.000 1.015 438 V CB -0.736 30.339 31.823 -1.247 0.000 0.642 438 V HN 0.278 nan 8.190 nan 0.000 0.446 439 V N -1.901 117.141 119.914 -1.453 0.000 2.515 439 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 439 V C 2.161 177.813 176.094 -0.736 0.000 1.058 439 V CA 2.299 63.675 62.300 -1.539 0.000 1.064 439 V CB -0.602 30.400 31.823 -1.368 0.000 0.675 439 V HN 0.482 nan 8.190 nan 0.000 0.461 440 S N 1.273 116.623 115.700 -0.582 0.000 2.395 440 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 440 S C 1.832 176.261 174.600 -0.284 0.000 1.027 440 S CA 1.409 59.405 58.200 -0.339 0.000 0.965 440 S CB -0.491 62.534 63.200 -0.290 0.000 0.812 440 S HN 0.671 nan 8.310 nan 0.000 0.482 441 N N 1.506 119.937 118.700 -0.447 0.000 2.376 441 N HA 0.035 4.775 4.740 -0.000 0.000 0.177 441 N C 0.553 175.919 175.510 -0.239 0.000 1.024 441 N CA 0.266 53.017 53.050 -0.497 0.000 0.893 441 N CB -0.475 37.301 38.487 -1.184 0.000 0.980 441 N HN 0.524 nan 8.380 nan 0.000 0.439 442 N N -0.627 117.961 118.700 -0.186 0.000 2.829 442 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 442 N C -1.276 174.517 175.510 0.470 0.000 1.090 442 N CA 0.368 53.552 53.050 0.224 0.000 0.781 442 N CB -0.724 37.985 38.487 0.370 0.000 1.124 442 N HN 0.402 nan 8.380 nan 0.000 0.559 443 W N -0.185 121.210 121.300 0.157 0.000 3.217 443 W HA 0.652 5.311 4.660 -0.000 0.000 0.323 443 W C -1.660 174.944 176.519 0.140 0.000 1.216 443 W CA -0.955 56.545 57.345 0.258 0.000 1.194 443 W CB 0.406 29.959 29.460 0.155 0.000 1.397 443 W HN -0.073 nan 8.180 nan 0.000 0.537 444 L N 1.871 123.425 121.223 0.553 0.000 2.333 444 L HA 0.684 5.023 4.340 -0.000 0.000 0.269 444 L C -0.753 176.436 176.870 0.531 0.000 1.010 444 L CA -0.459 54.607 54.840 0.377 0.000 0.818 444 L CB 2.115 44.418 42.059 0.405 0.000 1.306 444 L HN 0.581 nan 8.230 nan 0.000 0.430 445 E N 1.554 122.008 120.200 0.423 0.000 2.246 445 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 445 E C -1.515 175.295 176.600 0.350 0.000 0.880 445 E CA -0.617 56.021 56.400 0.396 0.000 0.762 445 E CB 1.468 31.380 29.700 0.354 0.000 1.180 445 E HN 0.757 nan 8.360 nan 0.000 0.416 446 T N 2.187 116.952 114.554 0.352 0.000 2.799 446 T HA 0.632 4.981 4.350 -0.000 0.000 0.286 446 T C 0.026 174.830 174.700 0.174 0.000 0.973 446 T CA -0.832 61.426 62.100 0.264 0.000 1.035 446 T CB 1.285 70.333 68.868 0.300 0.000 0.932 446 T HN 0.399 nan 8.240 nan 0.000 0.469 447 R N 0.987 121.567 120.500 0.133 0.000 2.808 447 R HA 0.566 4.906 4.340 -0.000 0.000 0.272 447 R C -0.104 176.237 176.300 0.069 0.000 0.995 447 R CA -1.223 54.933 56.100 0.093 0.000 0.917 447 R CB 1.729 32.086 30.300 0.095 0.000 1.217 447 R HN 0.400 nan 8.270 nan 0.000 0.471 448 R N 0.000 120.530 120.500 0.050 0.000 2.786 448 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 448 R CA 0.000 56.122 56.100 0.037 0.000 0.921 448 R CB 0.000 30.316 30.300 0.027 0.000 0.687 448 R HN 0.000 nan 8.270 nan 0.000 0.535