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 1zn8_1_A DATA FIRST_RESID 3 DATA SEQUENCE DSELQLVEQR IRSFPDFPTP GVVFRDISPV LKDPASFRAA IGLLARHLKA DATA SEQUENCE THGGRIDYIA GLDSRGFLFG PSLAQELGLG CVLIRKRGKL PGPTLWASYS DATA SEQUENCE LEYGKAELEI QKDALEPGQR VVVVDDLLAT GGTMNAACEL LGRLQAEVLE DATA SEQUENCE CVSLVELTSL KGREKLAPVP FFSLLQYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.302 176.300 0.003 0.000 2.045 3 D CA 0.000 54.000 54.000 0.000 0.000 0.868 3 D CB 0.000 40.801 40.800 0.001 0.000 0.688 4 S N 2.849 118.553 115.700 0.006 0.000 2.382 4 S HA -0.178 4.294 4.470 0.003 0.000 0.228 4 S C 1.619 176.227 174.600 0.013 0.000 1.027 4 S CA 1.357 59.563 58.200 0.009 0.000 0.991 4 S CB -0.066 63.141 63.200 0.010 0.000 0.823 4 S HN 0.578 nan 8.310 nan 0.000 0.469 5 E N 0.689 120.897 120.200 0.013 0.000 2.058 5 E HA -0.169 4.183 4.350 0.003 0.000 0.194 5 E C 2.013 178.621 176.600 0.014 0.000 0.997 5 E CA 1.367 57.776 56.400 0.015 0.000 0.801 5 E CB -0.243 29.465 29.700 0.014 0.000 0.746 5 E HN 0.468 nan 8.360 nan 0.000 0.450 6 L N 0.773 122.000 121.223 0.007 0.000 2.093 6 L HA -0.175 4.167 4.340 0.003 0.000 0.208 6 L C 2.485 179.355 176.870 0.000 0.000 1.085 6 L CA 1.864 56.703 54.840 -0.002 0.000 0.755 6 L CB -0.826 41.226 42.059 -0.012 0.000 0.904 6 L HN 0.063 nan 8.230 nan 0.000 0.435 7 Q N -0.915 118.888 119.800 0.005 0.000 2.135 7 Q HA -0.171 4.171 4.340 0.003 0.000 0.204 7 Q C 2.294 178.307 176.000 0.023 0.000 0.981 7 Q CA 1.664 57.473 55.803 0.010 0.000 0.856 7 Q CB -0.677 28.067 28.738 0.010 0.000 0.902 7 Q HN 0.592 nan 8.270 nan 0.000 0.425 8 L N -0.033 121.207 121.223 0.027 0.000 2.127 8 L HA -0.083 4.259 4.340 0.003 0.000 0.211 8 L C 2.382 179.284 176.870 0.054 0.000 1.089 8 L CA 1.620 56.484 54.840 0.041 0.000 0.757 8 L CB -0.822 41.263 42.059 0.043 0.000 0.899 8 L HN 0.305 nan 8.230 nan 0.000 0.434 9 V N -1.566 118.375 119.914 0.045 0.000 2.426 9 V HA -0.144 3.978 4.120 0.003 0.000 0.242 9 V C 2.369 178.498 176.094 0.058 0.000 1.036 9 V CA 1.165 63.498 62.300 0.055 0.000 1.044 9 V CB -0.451 31.387 31.823 0.026 0.000 0.688 9 V HN 0.417 nan 8.190 nan 0.000 0.462 10 E N 0.409 120.634 120.200 0.041 0.000 2.085 10 E HA -0.306 4.046 4.350 0.003 0.000 0.194 10 E C 2.239 178.881 176.600 0.069 0.000 0.994 10 E CA 1.671 58.104 56.400 0.055 0.000 0.801 10 E CB -0.089 29.623 29.700 0.020 0.000 0.743 10 E HN 0.652 nan 8.360 nan 0.000 0.453 11 Q N -0.647 119.183 119.800 0.052 0.000 2.364 11 Q HA -0.072 4.270 4.340 0.003 0.000 0.209 11 Q C 1.121 177.152 176.000 0.053 0.000 0.977 11 Q CA 0.688 56.518 55.803 0.046 0.000 0.885 11 Q CB 0.230 28.991 28.738 0.038 0.000 0.941 11 Q HN 0.043 nan 8.270 nan 0.000 0.464 12 R N 0.145 120.687 120.500 0.069 0.000 2.586 12 R HA 0.226 4.568 4.340 0.003 0.000 0.336 12 R C -0.407 175.950 176.300 0.095 0.000 1.060 12 R CA -0.022 56.127 56.100 0.081 0.000 1.079 12 R CB 0.845 31.205 30.300 0.099 0.000 1.317 12 R HN 0.112 nan 8.270 nan 0.000 0.568 13 I N 1.439 122.060 120.570 0.086 0.000 2.336 13 I HA 0.343 4.515 4.170 0.003 0.000 0.292 13 I C 0.458 176.592 176.117 0.029 0.000 0.991 13 I CA -0.552 60.794 61.300 0.076 0.000 1.227 13 I CB 1.287 39.342 38.000 0.091 0.000 1.366 13 I HN -0.229 nan 8.210 nan 0.000 0.466 14 R N 3.511 124.030 120.500 0.031 0.000 2.393 14 R HA 0.552 4.894 4.340 0.003 0.000 0.310 14 R C -0.644 175.603 176.300 -0.088 0.000 0.968 14 R CA -0.431 55.632 56.100 -0.061 0.000 0.867 14 R CB 2.043 32.332 30.300 -0.018 0.000 1.124 14 R HN 0.600 nan 8.270 nan 0.000 0.450 15 S N 2.743 118.294 115.700 -0.248 0.000 2.472 15 S HA 0.538 5.010 4.470 0.003 0.000 0.303 15 S C -1.074 173.347 174.600 -0.298 0.000 1.099 15 S CA -0.481 57.625 58.200 -0.155 0.000 1.077 15 S CB 0.884 63.987 63.200 -0.163 0.000 1.031 15 S HN 0.357 nan 8.310 nan 0.000 0.487 16 F N 2.734 122.746 119.950 0.104 0.000 2.610 16 F HA 0.379 4.908 4.527 0.003 0.000 0.355 16 F C -2.537 173.346 175.800 0.138 0.000 1.140 16 F CA -2.075 55.984 58.000 0.099 0.000 1.037 16 F CB 1.459 40.505 39.000 0.077 0.000 1.287 16 F HN 0.297 nan 8.300 nan 0.000 0.457 17 P HA 0.078 nan 4.420 nan 0.000 0.268 17 P C -0.293 177.132 177.300 0.208 0.000 1.205 17 P CA 0.403 63.605 63.100 0.169 0.000 0.771 17 P CB 0.467 32.226 31.700 0.097 0.000 0.858 18 D N -0.541 119.964 120.400 0.174 0.000 2.800 18 D HA -0.228 4.414 4.640 0.003 0.000 0.232 18 D C -0.605 175.811 176.300 0.194 0.000 1.137 18 D CA 1.108 55.195 54.000 0.145 0.000 0.718 18 D CB -1.616 39.249 40.800 0.109 0.000 1.084 18 D HN 0.306 nan 8.370 nan 0.000 0.432 19 F N 0.209 120.209 119.950 0.084 0.000 2.540 19 F HA 0.459 4.987 4.527 0.003 0.000 0.317 19 F C -2.009 173.841 175.800 0.084 0.000 1.104 19 F CA -2.158 55.849 58.000 0.013 0.000 0.913 19 F CB 1.910 40.839 39.000 -0.119 0.000 1.170 19 F HN -0.338 nan 8.300 nan 0.000 0.450 20 P HA 0.042 nan 4.420 nan 0.000 0.240 20 P C -0.087 176.922 177.300 -0.484 0.000 1.190 20 P CA 0.716 63.033 63.100 -1.305 0.000 0.781 20 P CB 0.290 31.392 31.700 -0.997 0.000 0.931 21 T N -2.267 112.160 114.554 -0.212 0.000 2.916 21 T HA 0.560 4.912 4.350 0.003 0.000 0.305 21 T C -3.276 171.422 174.700 -0.005 0.000 1.119 21 T CA -2.513 59.548 62.100 -0.065 0.000 1.008 21 T CB 1.890 70.755 68.868 -0.004 0.000 1.129 21 T HN -0.339 nan 8.240 nan 0.000 0.480 22 P HA 0.358 nan 4.420 nan 0.000 0.266 22 P C 1.155 178.479 177.300 0.040 0.000 1.195 22 P CA 1.442 64.566 63.100 0.040 0.000 0.768 22 P CB 0.359 32.082 31.700 0.038 0.000 0.838 23 G N 0.983 109.810 108.800 0.045 0.000 2.383 23 G HA2 -0.247 3.715 3.960 0.003 0.000 0.229 23 G HA3 -0.247 3.715 3.960 0.003 0.000 0.229 23 G C 0.048 174.974 174.900 0.043 0.000 1.089 23 G CA 0.023 45.146 45.100 0.039 0.000 0.640 23 G HN 0.564 nan 8.290 nan 0.000 0.510 24 V N 2.080 122.023 119.914 0.049 0.000 2.521 24 V HA 0.417 4.539 4.120 0.003 0.000 0.286 24 V C 0.900 177.068 176.094 0.123 0.000 1.034 24 V CA -0.093 62.248 62.300 0.068 0.000 1.045 24 V CB 1.600 33.464 31.823 0.069 0.000 0.974 24 V HN 0.389 nan 8.190 nan 0.000 0.480 25 V N 6.752 126.729 119.914 0.104 0.000 2.320 25 V HA 0.245 4.367 4.120 0.003 0.000 0.265 25 V C -0.084 176.110 176.094 0.166 0.000 1.048 25 V CA -0.340 62.037 62.300 0.129 0.000 0.865 25 V CB 0.520 32.367 31.823 0.040 0.000 1.043 25 V HN 0.682 nan 8.190 nan 0.000 0.474 26 F N 6.602 126.649 119.950 0.162 0.000 2.504 26 F HA 0.397 4.926 4.527 0.003 0.000 0.369 26 F C 0.865 176.753 175.800 0.148 0.000 1.082 26 F CA -0.220 57.898 58.000 0.195 0.000 1.216 26 F CB 0.413 39.627 39.000 0.357 0.000 1.108 26 F HN 0.345 nan 8.300 nan 0.000 0.554 27 R N 4.435 124.740 120.500 -0.326 0.000 2.215 27 R HA 0.178 4.520 4.340 0.003 0.000 0.336 27 R C -1.215 174.935 176.300 -0.249 0.000 0.996 27 R CA -0.719 55.240 56.100 -0.234 0.000 0.847 27 R CB 0.691 30.809 30.300 -0.303 0.000 1.127 27 R HN 0.556 nan 8.270 nan 0.000 0.465 28 D N 3.238 123.730 120.400 0.154 0.000 2.317 28 D HA 0.108 4.750 4.640 0.003 0.000 0.234 28 D C 1.039 177.461 176.300 0.203 0.000 1.112 28 D CA -0.703 53.491 54.000 0.322 0.000 0.840 28 D CB 0.952 42.106 40.800 0.591 0.000 1.078 28 D HN 0.420 nan 8.370 nan 0.000 0.486 29 I N 1.093 121.775 120.570 0.187 0.000 3.564 29 I HA 0.077 4.249 4.170 0.003 0.000 0.294 29 I C 1.600 177.862 176.117 0.242 0.000 1.289 29 I CA 0.197 61.629 61.300 0.220 0.000 1.325 29 I CB -0.825 37.350 38.000 0.291 0.000 1.039 29 I HN 0.118 nan 8.210 nan 0.000 0.474 30 S N 2.217 118.044 115.700 0.211 0.000 2.380 30 S HA -0.126 4.346 4.470 0.003 0.000 0.229 30 S C -0.230 174.453 174.600 0.138 0.000 1.043 30 S CA 2.164 60.459 58.200 0.158 0.000 1.038 30 S CB -1.518 61.760 63.200 0.130 0.000 0.872 30 S HN 0.461 nan 8.310 nan 0.000 0.456 31 P HA 0.036 nan 4.420 nan 0.000 0.223 31 P C 1.372 178.755 177.300 0.137 0.000 1.151 31 P CA 0.502 63.673 63.100 0.118 0.000 0.787 31 P CB -0.128 31.635 31.700 0.106 0.000 0.788 32 V N -0.156 119.872 119.914 0.189 0.000 2.343 32 V HA -0.194 3.928 4.120 0.003 0.000 0.247 32 V C 2.372 178.636 176.094 0.283 0.000 1.051 32 V CA 1.470 63.922 62.300 0.252 0.000 1.036 32 V CB -1.094 30.930 31.823 0.336 0.000 0.654 32 V HN 0.095 nan 8.190 nan 0.000 0.451 33 L N -0.054 121.299 121.223 0.216 0.000 2.141 33 L HA -0.117 4.225 4.340 0.003 0.000 0.209 33 L C 2.358 179.206 176.870 -0.036 0.000 1.094 33 L CA 1.851 56.707 54.840 0.027 0.000 0.763 33 L CB -1.020 40.998 42.059 -0.069 0.000 0.908 33 L HN 0.405 nan 8.230 nan 0.000 0.437 34 K N -0.464 119.954 120.400 0.029 0.000 2.296 34 K HA -0.098 4.224 4.320 0.003 0.000 0.200 34 K C 0.358 176.976 176.600 0.031 0.000 1.048 34 K CA 0.339 56.634 56.287 0.013 0.000 0.966 34 K CB 0.288 32.806 32.500 0.031 0.000 0.754 34 K HN 0.050 nan 8.250 nan 0.000 0.466 35 D N 0.785 121.228 120.400 0.072 0.000 2.427 35 D HA 0.100 4.742 4.640 0.003 0.000 0.226 35 D C -1.815 174.551 176.300 0.111 0.000 1.076 35 D CA -2.636 51.411 54.000 0.080 0.000 0.849 35 D CB 1.727 42.580 40.800 0.088 0.000 1.052 35 D HN -0.040 nan 8.370 nan 0.000 0.515 36 P HA -0.126 nan 4.420 nan 0.000 0.220 36 P C 1.066 178.461 177.300 0.158 0.000 1.148 36 P CA 0.745 63.917 63.100 0.120 0.000 0.803 36 P CB 0.286 32.028 31.700 0.069 0.000 0.782 37 A N 0.037 122.926 122.820 0.115 0.000 1.930 37 A HA -0.131 4.191 4.320 0.003 0.000 0.217 37 A C 2.646 180.300 177.584 0.116 0.000 1.175 37 A CA 1.982 54.080 52.037 0.102 0.000 0.627 37 A CB -1.499 17.543 19.000 0.071 0.000 0.815 37 A HN 0.257 nan 8.150 nan 0.000 0.443 38 S N -1.562 114.220 115.700 0.136 0.000 2.355 38 S HA -0.137 4.335 4.470 0.003 0.000 0.222 38 S C 1.756 176.473 174.600 0.195 0.000 1.031 38 S CA 1.514 59.800 58.200 0.143 0.000 0.993 38 S CB -0.499 62.789 63.200 0.147 0.000 0.859 38 S HN 0.557 nan 8.310 nan 0.000 0.453 39 F N 2.755 122.768 119.950 0.106 0.000 2.102 39 F HA 0.017 4.545 4.527 0.002 0.000 0.298 39 F C 2.480 178.359 175.800 0.130 0.000 1.105 39 F CA 1.919 60.006 58.000 0.144 0.000 1.239 39 F CB -0.487 38.572 39.000 0.098 0.000 0.991 39 F HN 0.123 nan 8.300 nan 0.000 0.474 40 R N 0.342 120.938 120.500 0.161 0.000 2.096 40 R HA -0.163 4.179 4.340 0.003 0.000 0.235 40 R C 2.286 178.577 176.300 -0.015 0.000 1.127 40 R CA 1.309 57.438 56.100 0.047 0.000 0.968 40 R CB -0.636 29.731 30.300 0.111 0.000 0.861 40 R HN 0.387 nan 8.270 nan 0.000 0.440 41 A N 0.724 123.555 122.820 0.018 0.000 1.902 41 A HA -0.091 4.231 4.320 0.003 0.000 0.217 41 A C 2.351 179.921 177.584 -0.023 0.000 1.181 41 A CA 1.648 53.689 52.037 0.007 0.000 0.623 41 A CB -0.702 18.316 19.000 0.030 0.000 0.818 41 A HN 0.532 nan 8.150 nan 0.000 0.443 42 A N -0.002 122.790 122.820 -0.047 0.000 1.877 42 A HA -0.054 4.268 4.320 0.003 0.000 0.216 42 A C 2.022 179.541 177.584 -0.108 0.000 1.186 42 A CA 1.634 53.626 52.037 -0.075 0.000 0.620 42 A CB -0.485 18.477 19.000 -0.063 0.000 0.822 42 A HN 0.403 nan 8.150 nan 0.000 0.443 43 I N 0.027 120.482 120.570 -0.190 0.000 2.252 43 I HA -0.172 4.000 4.170 0.003 0.000 0.245 43 I C 2.701 178.778 176.117 -0.066 0.000 1.102 43 I CA 1.539 62.748 61.300 -0.152 0.000 1.385 43 I CB -1.995 35.846 38.000 -0.265 0.000 1.064 43 I HN 0.359 nan 8.210 nan 0.000 0.414 44 G N 0.989 109.757 108.800 -0.053 0.000 2.422 44 G HA2 -0.191 3.771 3.960 0.003 0.000 0.218 44 G HA3 -0.191 3.771 3.960 0.003 0.000 0.218 44 G C 1.860 176.756 174.900 -0.007 0.000 1.146 44 G CA 0.403 45.490 45.100 -0.021 0.000 0.769 44 G HN 0.315 nan 8.290 nan 0.000 0.547 45 L N -0.295 120.929 121.223 0.001 0.000 2.093 45 L HA 0.066 4.408 4.340 0.003 0.000 0.208 45 L C 2.865 179.768 176.870 0.054 0.000 1.085 45 L CA 0.410 55.270 54.840 0.033 0.000 0.755 45 L CB -0.282 41.804 42.059 0.046 0.000 0.904 45 L HN 0.182 nan 8.230 nan 0.000 0.435 46 L N -0.642 120.608 121.223 0.046 0.000 2.056 46 L HA -0.148 4.194 4.340 0.003 0.000 0.207 46 L C 2.845 179.734 176.870 0.031 0.000 1.078 46 L CA 1.112 55.992 54.840 0.068 0.000 0.749 46 L CB -0.645 41.439 42.059 0.042 0.000 0.901 46 L HN 0.217 nan 8.230 nan 0.000 0.433 47 A N -0.030 122.794 122.820 0.007 0.000 1.898 47 A HA -0.229 4.093 4.320 0.003 0.000 0.216 47 A C 2.423 179.988 177.584 -0.032 0.000 1.181 47 A CA 1.648 53.680 52.037 -0.008 0.000 0.620 47 A CB -0.538 18.457 19.000 -0.009 0.000 0.819 47 A HN 0.337 nan 8.150 nan 0.000 0.442 48 R N -1.256 119.225 120.500 -0.031 0.000 2.075 48 R HA -0.216 4.126 4.340 0.003 0.000 0.232 48 R C 2.186 178.424 176.300 -0.103 0.000 1.126 48 R CA 1.949 58.017 56.100 -0.053 0.000 0.963 48 R CB -0.519 29.762 30.300 -0.032 0.000 0.858 48 R HN 0.724 nan 8.270 nan 0.000 0.435 49 H N 0.449 119.381 119.070 -0.229 0.000 2.319 49 H HA -0.117 4.441 4.556 0.003 0.000 0.297 49 H C 1.896 177.036 175.328 -0.313 0.000 1.097 49 H CA 2.289 58.089 56.048 -0.413 0.000 1.285 49 H CB -0.249 28.976 29.762 -0.895 0.000 1.368 49 H HN 0.197 nan 8.280 nan 0.000 0.495 50 L N -0.127 120.928 121.223 -0.281 0.000 2.109 50 L HA -0.109 4.233 4.340 0.003 0.000 0.207 50 L C 2.532 179.316 176.870 -0.143 0.000 1.086 50 L CA 1.358 56.087 54.840 -0.185 0.000 0.760 50 L CB -0.275 41.782 42.059 -0.004 0.000 0.910 50 L HN 0.271 nan 8.230 nan 0.000 0.437 51 K N 0.046 120.368 120.400 -0.131 0.000 2.097 51 K HA -0.086 4.236 4.320 0.003 0.000 0.205 51 K C 2.198 178.703 176.600 -0.159 0.000 1.050 51 K CA 1.199 57.422 56.287 -0.107 0.000 0.938 51 K CB -0.183 32.271 32.500 -0.077 0.000 0.718 51 K HN 0.249 nan 8.250 nan 0.000 0.442 52 A N 0.599 123.286 122.820 -0.222 0.000 2.015 52 A HA -0.112 4.210 4.320 0.003 0.000 0.219 52 A C 2.007 179.407 177.584 -0.307 0.000 1.163 52 A CA 1.737 53.636 52.037 -0.229 0.000 0.646 52 A CB -0.442 18.425 19.000 -0.221 0.000 0.806 52 A HN 0.200 nan 8.150 nan 0.000 0.448 53 T N -1.908 112.360 114.554 -0.475 0.000 3.037 53 T HA 0.091 4.443 4.350 0.003 0.000 0.252 53 T C 1.173 175.423 174.700 -0.750 0.000 1.073 53 T CA 0.791 62.507 62.100 -0.639 0.000 1.091 53 T CB -0.094 68.213 68.868 -0.935 0.000 0.935 53 T HN 0.637 nan 8.240 nan 0.000 0.488 54 H N -0.676 118.282 119.070 -0.186 0.000 3.233 54 H HA 0.359 4.918 4.556 0.004 0.000 0.263 54 H C 1.705 176.975 175.328 -0.097 0.000 1.168 54 H CA 0.295 56.270 56.048 -0.121 0.000 1.159 54 H CB 0.494 30.192 29.762 -0.107 0.000 1.593 54 H HN 0.418 nan 8.280 nan 0.000 0.580 55 G N 1.141 109.919 108.800 -0.036 0.000 2.672 55 G HA2 -0.387 3.575 3.960 0.003 0.000 0.324 55 G HA3 -0.387 3.575 3.960 0.003 0.000 0.324 55 G C 1.214 176.106 174.900 -0.013 0.000 1.286 55 G CA 0.468 45.549 45.100 -0.033 0.000 1.004 55 G HN 0.526 nan 8.290 nan 0.000 0.548 56 G N -0.522 108.268 108.800 -0.017 0.000 3.448 56 G HA2 0.391 4.353 3.960 0.003 0.000 0.261 56 G HA3 0.391 4.353 3.960 0.003 0.000 0.261 56 G C 1.335 176.219 174.900 -0.026 0.000 1.173 56 G CA 0.677 45.763 45.100 -0.025 0.000 0.835 56 G HN 0.461 nan 8.290 nan 0.000 0.534 57 R N 0.147 120.644 120.500 -0.006 0.000 2.276 57 R HA 0.135 4.477 4.340 0.003 0.000 0.203 57 R C 0.691 176.962 176.300 -0.047 0.000 1.017 57 R CA -0.020 56.072 56.100 -0.013 0.000 1.010 57 R CB -0.168 30.145 30.300 0.022 0.000 0.900 57 R HN 0.392 nan 8.270 nan 0.000 0.469 58 I N 1.750 122.282 120.570 -0.065 0.000 2.471 58 I HA -0.030 4.142 4.170 0.003 0.000 0.286 58 I C 0.913 176.960 176.117 -0.118 0.000 1.079 58 I CA 0.119 61.360 61.300 -0.098 0.000 1.398 58 I CB 0.831 38.771 38.000 -0.100 0.000 1.403 58 I HN -0.157 nan 8.210 nan 0.000 0.530 59 D N 4.650 124.975 120.400 -0.125 0.000 2.338 59 D HA 0.065 4.707 4.640 0.003 0.000 0.224 59 D C -0.412 175.548 176.300 -0.567 0.000 0.967 59 D CA 1.369 55.197 54.000 -0.288 0.000 0.896 59 D CB 0.388 41.099 40.800 -0.149 0.000 1.028 59 D HN 0.374 nan 8.370 nan 0.000 0.493 60 Y N -0.362 119.927 120.300 -0.018 0.000 2.571 60 Y HA 0.319 4.870 4.550 0.002 0.000 0.341 60 Y C -0.204 175.693 175.900 -0.004 0.000 1.076 60 Y CA -1.144 56.953 58.100 -0.007 0.000 1.029 60 Y CB 1.831 40.291 38.460 -0.000 0.000 1.308 60 Y HN -0.298 nan 8.280 nan 0.000 0.461 61 I N 2.234 122.914 120.570 0.184 0.000 2.472 61 I HA 0.522 4.694 4.170 0.003 0.000 0.290 61 I C 0.114 176.315 176.117 0.140 0.000 1.016 61 I CA -0.581 60.798 61.300 0.131 0.000 1.348 61 I CB 1.003 39.068 38.000 0.108 0.000 1.417 61 I HN 0.718 nan 8.210 nan 0.000 0.521 62 A N 4.940 127.830 122.820 0.117 0.000 2.287 62 A HA 0.727 5.049 4.320 0.003 0.000 0.317 62 A C 0.225 177.898 177.584 0.149 0.000 1.220 62 A CA -0.472 51.633 52.037 0.112 0.000 0.835 62 A CB 0.911 19.964 19.000 0.088 0.000 1.180 62 A HN 0.853 nan 8.150 nan 0.000 0.500 63 G N 1.644 110.559 108.800 0.191 0.000 2.348 63 G HA2 0.548 4.510 3.960 0.003 0.000 0.312 63 G HA3 0.548 4.510 3.960 0.003 0.000 0.312 63 G C -0.439 174.698 174.900 0.394 0.000 1.126 63 G CA -0.549 44.731 45.100 0.301 0.000 0.865 63 G HN 0.689 nan 8.290 nan 0.000 0.474 64 L N 1.893 123.280 121.223 0.272 0.000 2.307 64 L HA 0.262 4.604 4.340 0.003 0.000 0.282 64 L C -0.067 176.695 176.870 -0.180 0.000 1.051 64 L CA -1.050 53.858 54.840 0.114 0.000 0.804 64 L CB 1.631 43.715 42.059 0.041 0.000 1.197 64 L HN 0.408 nan 8.230 nan 0.000 0.431 65 D N 1.257 121.372 120.400 -0.475 0.000 2.417 65 D HA 0.022 4.664 4.640 0.003 0.000 0.250 65 D C 0.800 176.835 176.300 -0.442 0.000 1.166 65 D CA 0.180 53.577 54.000 -1.006 0.000 0.881 65 D CB 1.288 41.755 40.800 -0.555 0.000 1.164 65 D HN 0.622 nan 8.370 nan 0.000 0.467 66 S N 3.609 119.084 115.700 -0.376 0.000 2.564 66 S HA 0.088 4.560 4.470 0.003 0.000 0.231 66 S C 1.635 176.091 174.600 -0.242 0.000 1.067 66 S CA -0.365 57.514 58.200 -0.534 0.000 0.908 66 S CB 0.186 63.257 63.200 -0.215 0.000 0.809 66 S HN 0.437 nan 8.310 nan 0.000 0.491 67 R N 1.234 121.709 120.500 -0.043 0.000 2.189 67 R HA 0.112 4.454 4.340 0.003 0.000 0.223 67 R C 2.352 178.814 176.300 0.270 0.000 1.092 67 R CA 0.985 57.164 56.100 0.133 0.000 0.989 67 R CB -0.612 29.795 30.300 0.179 0.000 0.876 67 R HN 0.587 nan 8.270 nan 0.000 0.457 68 G N 0.381 109.304 108.800 0.205 0.000 2.443 68 G HA2 -0.207 3.755 3.960 0.003 0.000 0.219 68 G HA3 -0.207 3.755 3.960 0.003 0.000 0.219 68 G C 0.978 176.145 174.900 0.446 0.000 1.131 68 G CA 0.185 45.486 45.100 0.334 0.000 0.775 68 G HN 0.149 nan 8.290 nan 0.000 0.547 69 F N 0.955 120.986 119.950 0.135 0.000 2.250 69 F HA 0.051 4.583 4.527 0.008 0.000 0.301 69 F C 2.496 178.317 175.800 0.036 0.000 1.077 69 F CA 0.074 58.123 58.000 0.082 0.000 1.348 69 F CB -0.691 38.341 39.000 0.054 0.000 1.040 69 F HN 0.095 nan 8.300 nan 0.000 0.509 70 L N -2.276 119.048 121.223 0.169 0.000 2.291 70 L HA -0.162 4.180 4.340 0.003 0.000 0.214 70 L C 1.911 178.584 176.870 -0.329 0.000 1.120 70 L CA 1.005 55.748 54.840 -0.162 0.000 0.799 70 L CB -0.503 41.333 42.059 -0.372 0.000 0.925 70 L HN 0.009 nan 8.230 nan 0.000 0.446 71 F N -1.526 118.593 119.950 0.282 0.000 2.602 71 F HA 0.228 4.757 4.527 0.004 0.000 0.284 71 F C 2.422 178.321 175.800 0.165 0.000 1.111 71 F CA 0.412 58.549 58.000 0.228 0.000 1.405 71 F CB -0.902 38.185 39.000 0.144 0.000 1.121 71 F HN -0.095 nan 8.300 nan 0.000 0.603 72 G N 2.068 111.058 108.800 0.317 0.000 2.586 72 G HA2 -0.250 3.712 3.960 0.003 0.000 0.218 72 G HA3 -0.250 3.712 3.960 0.003 0.000 0.218 72 G C -0.724 174.266 174.900 0.149 0.000 1.216 72 G CA 1.211 46.441 45.100 0.217 0.000 0.786 72 G HN 0.185 nan 8.290 nan 0.000 0.583 73 P HA -0.048 nan 4.420 nan 0.000 0.216 73 P C 2.280 179.642 177.300 0.104 0.000 1.153 73 P CA 1.841 64.989 63.100 0.079 0.000 0.858 73 P CB -0.122 31.602 31.700 0.040 0.000 0.789 74 S N -0.868 114.925 115.700 0.155 0.000 2.383 74 S HA -0.101 4.371 4.470 0.003 0.000 0.227 74 S C 1.732 176.392 174.600 0.100 0.000 1.026 74 S CA 0.748 59.047 58.200 0.164 0.000 0.981 74 S CB -1.026 62.356 63.200 0.304 0.000 0.818 74 S HN 0.052 nan 8.310 nan 0.000 0.472 75 L N 2.041 123.328 121.223 0.106 0.000 2.056 75 L HA 0.083 4.425 4.340 0.003 0.000 0.207 75 L C 2.317 179.222 176.870 0.059 0.000 1.078 75 L CA 1.849 56.733 54.840 0.074 0.000 0.749 75 L CB -1.200 40.920 42.059 0.102 0.000 0.901 75 L HN 0.225 nan 8.230 nan 0.000 0.433 76 A N -1.104 121.758 122.820 0.071 0.000 1.877 76 A HA -0.228 4.094 4.320 0.003 0.000 0.216 76 A C 2.168 179.774 177.584 0.037 0.000 1.186 76 A CA 1.649 53.718 52.037 0.054 0.000 0.620 76 A CB -0.624 18.419 19.000 0.073 0.000 0.822 76 A HN 0.594 nan 8.150 nan 0.000 0.443 77 Q N -0.748 119.079 119.800 0.045 0.000 2.061 77 Q HA -0.243 4.099 4.340 0.003 0.000 0.204 77 Q C 2.031 178.046 176.000 0.026 0.000 0.984 77 Q CA 1.991 57.816 55.803 0.036 0.000 0.846 77 Q CB -0.396 28.371 28.738 0.047 0.000 0.902 77 Q HN 0.793 nan 8.270 nan 0.000 0.421 78 E N 0.737 120.954 120.200 0.029 0.000 2.153 78 E HA -0.110 4.242 4.350 0.003 0.000 0.194 78 E C 1.794 178.397 176.600 0.004 0.000 0.988 78 E CA 0.863 57.273 56.400 0.017 0.000 0.811 78 E CB -0.205 29.502 29.700 0.013 0.000 0.746 78 E HN 0.321 nan 8.360 nan 0.000 0.466 79 L N -1.302 119.923 121.223 0.003 0.000 2.554 79 L HA 0.230 4.572 4.340 0.003 0.000 0.226 79 L C 1.429 178.286 176.870 -0.022 0.000 1.137 79 L CA 0.409 55.242 54.840 -0.012 0.000 0.863 79 L CB -0.067 41.984 42.059 -0.013 0.000 0.985 79 L HN 0.420 nan 8.230 nan 0.000 0.451 80 G N 0.480 109.271 108.800 -0.015 0.000 2.132 80 G HA2 -0.239 3.723 3.960 0.003 0.000 0.234 80 G HA3 -0.239 3.723 3.960 0.003 0.000 0.234 80 G C 0.004 174.880 174.900 -0.039 0.000 0.989 80 G CA -0.099 44.987 45.100 -0.023 0.000 0.676 80 G HN 0.213 nan 8.290 nan 0.000 0.522 81 L N -0.125 121.077 121.223 -0.036 0.000 2.322 81 L HA 0.795 5.137 4.340 0.003 0.000 0.269 81 L C 1.293 178.164 176.870 0.002 0.000 1.012 81 L CA -0.822 53.977 54.840 -0.067 0.000 0.815 81 L CB 1.491 43.499 42.059 -0.084 0.000 1.295 81 L HN 0.170 nan 8.230 nan 0.000 0.438 82 G N -0.567 108.255 108.800 0.037 0.000 2.606 82 G HA2 0.315 4.277 3.960 0.003 0.000 0.252 82 G HA3 0.315 4.277 3.960 0.003 0.000 0.252 82 G C -1.040 174.013 174.900 0.255 0.000 1.206 82 G CA -0.189 45.028 45.100 0.194 0.000 0.861 82 G HN 0.609 nan 8.290 nan 0.000 0.561 83 C N 1.443 120.845 119.300 0.170 0.000 2.369 83 C HA 0.680 5.142 4.460 0.003 0.000 0.322 83 C C 0.296 175.309 174.990 0.038 0.000 1.258 83 C CA -0.585 58.501 59.018 0.113 0.000 1.487 83 C CB -0.101 27.671 27.740 0.054 0.000 2.165 83 C HN 0.797 nan 8.230 nan 0.000 0.483 84 V N 5.399 125.320 119.914 0.011 0.000 2.834 84 V HA 0.707 4.829 4.120 0.003 0.000 0.313 84 V C -0.565 175.526 176.094 -0.005 0.000 1.060 84 V CA -0.659 61.608 62.300 -0.056 0.000 0.989 84 V CB 1.537 33.277 31.823 -0.138 0.000 1.041 84 V HN 0.783 nan 8.190 nan 0.000 0.459 85 L N 3.455 124.673 121.223 -0.008 0.000 2.322 85 L HA 0.608 4.950 4.340 0.003 0.000 0.281 85 L C -0.586 176.369 176.870 0.142 0.000 1.014 85 L CA -0.445 54.434 54.840 0.064 0.000 0.815 85 L CB 1.777 43.818 42.059 -0.029 0.000 1.247 85 L HN 0.558 nan 8.230 nan 0.000 0.421 86 I N 3.786 124.502 120.570 0.242 0.000 2.382 86 I HA 0.411 4.583 4.170 0.003 0.000 0.285 86 I C -0.141 176.112 176.117 0.227 0.000 1.007 86 I CA -0.480 60.934 61.300 0.190 0.000 1.142 86 I CB 1.208 39.284 38.000 0.128 0.000 1.289 86 I HN 0.565 nan 8.210 nan 0.000 0.453 87 R N 5.083 125.699 120.500 0.194 0.000 2.787 87 R HA 0.512 4.854 4.340 0.003 0.000 0.271 87 R C -0.477 175.889 176.300 0.110 0.000 0.993 87 R CA -1.167 55.038 56.100 0.176 0.000 0.993 87 R CB 1.942 32.367 30.300 0.208 0.000 1.155 87 R HN 0.463 nan 8.270 nan 0.000 0.486 88 K N 1.980 122.420 120.400 0.066 0.000 2.485 88 K HA -0.019 4.303 4.320 0.003 0.000 0.277 88 K C 0.443 177.078 176.600 0.059 0.000 0.990 88 K CA 0.180 56.507 56.287 0.067 0.000 0.994 88 K CB 0.524 33.045 32.500 0.035 0.000 0.906 88 K HN 0.358 nan 8.250 nan 0.000 0.488 89 R N 0.623 121.149 120.500 0.043 0.000 2.585 89 R HA -0.045 4.297 4.340 0.003 0.000 0.275 89 R C 0.777 177.049 176.300 -0.046 0.000 1.018 89 R CA 1.576 57.669 56.100 -0.013 0.000 1.072 89 R CB -0.005 30.232 30.300 -0.104 0.000 0.953 89 R HN 0.904 nan 8.270 nan 0.000 0.419 90 G N 3.012 111.780 108.800 -0.053 0.000 2.159 90 G HA2 -0.194 3.768 3.960 0.003 0.000 0.227 90 G HA3 -0.194 3.768 3.960 0.003 0.000 0.227 90 G C 0.542 175.436 174.900 -0.011 0.000 0.986 90 G CA 0.167 45.233 45.100 -0.056 0.000 0.651 90 G HN 0.576 nan 8.290 nan 0.000 0.523 91 K N -0.464 119.948 120.400 0.020 0.000 2.313 91 K HA 0.363 4.685 4.320 0.003 0.000 0.197 91 K C 1.265 177.894 176.600 0.049 0.000 1.061 91 K CA 0.189 56.502 56.287 0.042 0.000 0.980 91 K CB 0.310 32.853 32.500 0.072 0.000 0.888 91 K HN 0.456 nan 8.250 nan 0.000 0.502 92 L N 4.080 125.337 121.223 0.056 0.000 2.326 92 L HA 0.227 4.569 4.340 0.003 0.000 0.278 92 L C -1.866 175.031 176.870 0.046 0.000 1.092 92 L CA -1.782 53.092 54.840 0.057 0.000 0.810 92 L CB 0.783 42.886 42.059 0.074 0.000 1.153 92 L HN 0.014 nan 8.230 nan 0.000 0.439 93 P HA 0.429 nan 4.420 nan 0.000 0.279 93 P C -0.014 177.309 177.300 0.039 0.000 1.276 93 P CA 0.019 63.139 63.100 0.033 0.000 0.801 93 P CB 1.123 32.837 31.700 0.023 0.000 1.127 94 G N 0.342 109.165 108.800 0.038 0.000 2.828 94 G HA2 -0.110 3.852 3.960 0.003 0.000 0.463 94 G HA3 -0.110 3.852 3.960 0.003 0.000 0.463 94 G C -2.845 172.089 174.900 0.057 0.000 1.394 94 G CA -0.879 44.245 45.100 0.039 0.000 0.862 94 G HN 0.569 nan 8.290 nan 0.000 0.540 95 P HA 0.413 nan 4.420 nan 0.000 0.268 95 P C 0.418 177.768 177.300 0.083 0.000 1.204 95 P CA 0.800 63.942 63.100 0.069 0.000 0.768 95 P CB 0.903 32.628 31.700 0.042 0.000 0.842 96 T N 0.292 114.927 114.554 0.135 0.000 2.864 96 T HA 0.814 5.166 4.350 0.003 0.000 0.289 96 T C -0.417 174.359 174.700 0.127 0.000 1.082 96 T CA -0.983 61.213 62.100 0.160 0.000 1.009 96 T CB 0.919 69.940 68.868 0.254 0.000 1.234 96 T HN 0.305 nan 8.240 nan 0.000 0.526 97 L N -1.385 119.891 121.223 0.089 0.000 2.309 97 L HA 1.065 5.407 4.340 0.003 0.000 0.261 97 L C -1.486 175.460 176.870 0.126 0.000 1.021 97 L CA -1.359 53.421 54.840 -0.099 0.000 0.823 97 L CB 1.776 43.742 42.059 -0.156 0.000 1.366 97 L HN 1.027 nan 8.230 nan 0.000 0.423 98 W N 0.188 121.508 121.300 0.033 0.000 3.075 98 W HA 0.922 5.582 4.660 -0.000 0.000 0.334 98 W C -1.641 174.909 176.519 0.053 0.000 1.243 98 W CA -1.152 56.220 57.345 0.046 0.000 1.170 98 W CB 1.395 30.882 29.460 0.045 0.000 1.452 98 W HN 0.748 nan 8.180 nan 0.000 0.572 99 A N 1.908 124.922 122.820 0.323 0.000 2.427 99 A HA 0.726 5.048 4.320 0.003 0.000 0.298 99 A C -0.541 177.230 177.584 0.312 0.000 1.036 99 A CA -0.515 51.659 52.037 0.229 0.000 0.701 99 A CB 1.086 20.169 19.000 0.138 0.000 1.250 99 A HN 1.128 nan 8.150 nan 0.000 0.412 100 S N 1.212 117.069 115.700 0.262 0.000 2.616 100 S HA 0.878 5.350 4.470 0.003 0.000 0.277 100 S C -0.423 174.337 174.600 0.266 0.000 1.234 100 S CA -0.224 58.100 58.200 0.208 0.000 1.028 100 S CB 0.729 64.001 63.200 0.120 0.000 0.988 100 S HN 1.739 nan 8.310 nan 0.000 0.522 101 Y N -1.627 118.698 120.300 0.042 0.000 2.677 101 Y HA 0.711 5.262 4.550 0.003 0.000 0.334 101 Y C -0.610 175.298 175.900 0.013 0.000 1.196 101 Y CA -1.242 56.872 58.100 0.023 0.000 1.059 101 Y CB 0.829 39.299 38.460 0.018 0.000 1.315 101 Y HN 0.677 nan 8.280 nan 0.000 0.455 102 S N 2.983 118.698 115.700 0.025 0.000 2.499 102 S HA 0.569 5.041 4.470 0.003 0.000 0.275 102 S C -1.167 173.407 174.600 -0.043 0.000 1.257 102 S CA -0.525 57.640 58.200 -0.059 0.000 1.050 102 S CB 0.079 63.279 63.200 0.001 0.000 0.937 102 S HN 0.720 nan 8.310 nan 0.000 0.490 103 L N 4.958 126.083 121.223 -0.164 0.000 2.406 103 L HA 0.391 4.733 4.340 0.003 0.000 0.272 103 L C 0.584 177.399 176.870 -0.092 0.000 0.980 103 L CA 0.349 55.143 54.840 -0.077 0.000 0.831 103 L CB 0.808 42.803 42.059 -0.108 0.000 1.253 103 L HN 1.011 nan 8.230 nan 0.000 0.406 104 E N 3.130 123.263 120.200 -0.112 0.000 3.213 104 E HA -0.363 3.989 4.350 0.003 0.000 0.374 104 E C 0.436 176.864 176.600 -0.286 0.000 1.500 104 E CA 2.241 58.504 56.400 -0.228 0.000 1.497 104 E CB -1.105 28.522 29.700 -0.122 0.000 1.692 104 E HN 0.814 nan 8.360 nan 0.000 0.494 105 Y N 1.391 121.666 120.300 -0.041 0.000 2.457 105 Y HA 0.476 5.028 4.550 0.003 0.000 0.263 105 Y C 1.399 177.271 175.900 -0.046 0.000 1.164 105 Y CA 0.485 58.562 58.100 -0.038 0.000 1.274 105 Y CB 1.166 39.605 38.460 -0.036 0.000 1.097 105 Y HN 0.567 nan 8.280 nan 0.000 0.523 106 G N -0.380 108.446 108.800 0.043 0.000 3.085 106 G HA2 0.528 4.490 3.960 0.003 0.000 0.264 106 G HA3 0.528 4.490 3.960 0.003 0.000 0.264 106 G C -1.286 173.563 174.900 -0.085 0.000 1.206 106 G CA -0.973 44.122 45.100 -0.008 0.000 0.809 106 G HN -0.116 nan 8.290 nan 0.000 0.592 107 K N -0.211 120.120 120.400 -0.114 0.000 2.324 107 K HA 0.719 5.041 4.320 0.003 0.000 0.253 107 K C -0.630 175.815 176.600 -0.258 0.000 0.932 107 K CA -0.511 55.659 56.287 -0.195 0.000 0.799 107 K CB 2.396 34.826 32.500 -0.117 0.000 1.154 107 K HN 0.651 nan 8.250 nan 0.000 0.425 108 A N 2.427 124.951 122.820 -0.494 0.000 2.387 108 A HA 0.645 4.967 4.320 0.003 0.000 0.303 108 A C -1.234 176.146 177.584 -0.339 0.000 1.145 108 A CA -0.709 51.071 52.037 -0.427 0.000 0.801 108 A CB 1.154 19.864 19.000 -0.483 0.000 1.342 108 A HN 0.744 nan 8.150 nan 0.000 0.440 109 E N -0.008 120.176 120.200 -0.027 0.000 2.272 109 E HA 0.573 4.925 4.350 0.003 0.000 0.269 109 E C -1.427 175.327 176.600 0.256 0.000 0.877 109 E CA -0.408 56.097 56.400 0.175 0.000 0.755 109 E CB 2.315 32.073 29.700 0.098 0.000 1.192 109 E HN 0.529 nan 8.360 nan 0.000 0.422 110 L N 1.691 123.106 121.223 0.320 0.000 2.334 110 L HA 0.571 4.913 4.340 0.003 0.000 0.270 110 L C -0.141 176.867 176.870 0.231 0.000 1.018 110 L CA -0.570 54.403 54.840 0.222 0.000 0.811 110 L CB 1.670 43.816 42.059 0.145 0.000 1.271 110 L HN 0.591 nan 8.230 nan 0.000 0.443 111 E N 1.511 121.825 120.200 0.192 0.000 2.367 111 E HA 0.630 4.982 4.350 0.003 0.000 0.273 111 E C -1.777 174.917 176.600 0.157 0.000 0.903 111 E CA -0.667 55.864 56.400 0.219 0.000 0.764 111 E CB 3.190 33.016 29.700 0.209 0.000 1.252 111 E HN 0.503 nan 8.360 nan 0.000 0.446 112 I N 1.828 122.482 120.570 0.140 0.000 2.769 112 I HA 0.249 4.421 4.170 0.003 0.000 0.298 112 I C -0.940 175.225 176.117 0.079 0.000 1.128 112 I CA -0.615 60.740 61.300 0.092 0.000 1.031 112 I CB 2.021 40.058 38.000 0.061 0.000 1.235 112 I HN 0.600 nan 8.210 nan 0.000 0.423 113 Q N 5.038 124.870 119.800 0.053 0.000 2.337 113 Q HA 0.114 4.456 4.340 0.003 0.000 0.270 113 Q C 0.570 176.581 176.000 0.019 0.000 1.002 113 Q CA 0.033 55.859 55.803 0.039 0.000 0.888 113 Q CB 1.039 29.790 28.738 0.022 0.000 1.222 113 Q HN 0.498 nan 8.270 nan 0.000 0.400 114 K N 1.508 121.920 120.400 0.019 0.000 2.211 114 K HA -0.183 4.139 4.320 0.003 0.000 0.204 114 K C 0.747 177.341 176.600 -0.009 0.000 1.047 114 K CA 1.528 57.815 56.287 0.001 0.000 0.935 114 K CB 0.079 32.579 32.500 -0.000 0.000 0.728 114 K HN 0.653 nan 8.250 nan 0.000 0.452 115 D N -0.282 120.112 120.400 -0.010 0.000 2.342 115 D HA 0.068 4.710 4.640 0.003 0.000 0.221 115 D C 1.296 177.568 176.300 -0.045 0.000 1.101 115 D CA 0.179 54.167 54.000 -0.022 0.000 0.837 115 D CB 0.156 40.948 40.800 -0.014 0.000 0.938 115 D HN 0.029 nan 8.370 nan 0.000 0.508 116 A N 0.219 123.008 122.820 -0.052 0.000 1.940 116 A HA 0.102 4.424 4.320 0.003 0.000 0.219 116 A C 0.984 178.470 177.584 -0.164 0.000 1.176 116 A CA 0.898 52.876 52.037 -0.097 0.000 0.631 116 A CB -0.225 18.730 19.000 -0.075 0.000 0.814 116 A HN 0.370 nan 8.150 nan 0.000 0.446 117 L N -2.169 118.987 121.223 -0.111 0.000 2.409 117 L HA 0.469 4.811 4.340 0.003 0.000 0.255 117 L C -0.917 175.932 176.870 -0.037 0.000 1.027 117 L CA -1.019 53.759 54.840 -0.104 0.000 0.834 117 L CB 1.657 43.666 42.059 -0.084 0.000 1.426 117 L HN -0.065 nan 8.230 nan 0.000 0.411 118 E N 0.830 121.028 120.200 -0.002 0.000 2.222 118 E HA 0.419 4.771 4.350 0.003 0.000 0.272 118 E C -2.442 174.169 176.600 0.018 0.000 0.982 118 E CA -2.088 54.319 56.400 0.012 0.000 0.842 118 E CB 1.361 31.077 29.700 0.027 0.000 1.144 118 E HN 0.178 nan 8.360 nan 0.000 0.397 119 P HA 0.003 nan 4.420 nan 0.000 0.261 119 P C 0.597 177.909 177.300 0.020 0.000 1.173 119 P CA 1.411 64.518 63.100 0.013 0.000 0.760 119 P CB 0.393 32.097 31.700 0.007 0.000 0.783 120 G N 1.709 110.522 108.800 0.021 0.000 2.241 120 G HA2 -0.246 3.716 3.960 0.003 0.000 0.244 120 G HA3 -0.246 3.716 3.960 0.003 0.000 0.244 120 G C 0.191 175.111 174.900 0.033 0.000 0.998 120 G CA -0.389 44.725 45.100 0.023 0.000 0.621 120 G HN 0.565 nan 8.290 nan 0.000 0.519 121 Q N 0.460 120.291 119.800 0.051 0.000 2.364 121 Q HA 0.472 4.814 4.340 0.003 0.000 0.267 121 Q C 0.407 176.451 176.000 0.072 0.000 0.999 121 Q CA 0.290 56.144 55.803 0.085 0.000 0.886 121 Q CB 0.534 29.364 28.738 0.154 0.000 1.243 121 Q HN 0.432 nan 8.270 nan 0.000 0.415 122 R N 1.154 121.692 120.500 0.064 0.000 2.387 122 R HA 0.550 4.892 4.340 0.003 0.000 0.314 122 R C -1.095 175.223 176.300 0.030 0.000 0.958 122 R CA -0.457 55.655 56.100 0.020 0.000 0.846 122 R CB 1.426 31.716 30.300 -0.018 0.000 1.147 122 R HN 0.308 nan 8.270 nan 0.000 0.447 123 V N 3.058 122.980 119.914 0.013 0.000 2.876 123 V HA 0.470 4.592 4.120 0.003 0.000 0.312 123 V C -0.634 175.452 176.094 -0.014 0.000 1.085 123 V CA -0.901 61.423 62.300 0.041 0.000 0.945 123 V CB 2.524 34.388 31.823 0.070 0.000 1.017 123 V HN 0.400 nan 8.190 nan 0.000 0.428 124 V N 3.454 123.367 119.914 -0.001 0.000 2.540 124 V HA 0.515 4.637 4.120 0.003 0.000 0.302 124 V C -0.340 175.786 176.094 0.053 0.000 1.035 124 V CA -0.609 61.689 62.300 -0.004 0.000 0.873 124 V CB 2.042 33.846 31.823 -0.031 0.000 0.992 124 V HN 0.623 nan 8.190 nan 0.000 0.428 125 V N 5.347 125.302 119.914 0.069 0.000 2.481 125 V HA 0.563 4.685 4.120 0.003 0.000 0.286 125 V C -0.100 176.058 176.094 0.107 0.000 1.042 125 V CA -0.502 61.852 62.300 0.091 0.000 0.928 125 V CB 1.812 33.686 31.823 0.085 0.000 0.986 125 V HN 0.605 nan 8.190 nan 0.000 0.462 126 V N 3.732 123.721 119.914 0.124 0.000 2.735 126 V HA 0.753 4.875 4.120 0.003 0.000 0.310 126 V C -1.223 174.959 176.094 0.147 0.000 1.061 126 V CA -0.134 62.244 62.300 0.130 0.000 0.913 126 V CB 2.106 34.015 31.823 0.143 0.000 1.005 126 V HN 1.033 nan 8.190 nan 0.000 0.428 127 D N 2.188 122.659 120.400 0.118 0.000 2.579 127 D HA 0.331 4.973 4.640 0.003 0.000 0.257 127 D C 0.250 176.583 176.300 0.055 0.000 1.176 127 D CA 0.098 54.167 54.000 0.116 0.000 0.914 127 D CB 2.339 43.185 40.800 0.077 0.000 1.431 127 D HN 0.655 nan 8.370 nan 0.000 0.454 128 D N 0.249 120.693 120.400 0.074 0.000 2.144 128 D HA -0.070 4.572 4.640 0.003 0.000 0.200 128 D C 0.658 176.924 176.300 -0.057 0.000 0.978 128 D CA 0.714 54.694 54.000 -0.032 0.000 0.833 128 D CB 0.425 41.295 40.800 0.118 0.000 0.961 128 D HN 0.152 nan 8.370 nan 0.000 0.470 129 L N -0.132 121.086 121.223 -0.009 0.000 2.482 129 L HA 0.510 4.852 4.340 0.003 0.000 0.263 129 L C -2.069 174.800 176.870 -0.002 0.000 0.957 129 L CA -1.281 53.551 54.840 -0.013 0.000 0.836 129 L CB 1.614 43.634 42.059 -0.065 0.000 1.324 129 L HN 0.032 nan 8.230 nan 0.000 0.406 130 L N 4.419 125.644 121.223 0.003 0.000 2.272 130 L HA 0.821 5.163 4.340 0.003 0.000 0.289 130 L C 0.210 177.011 176.870 -0.114 0.000 1.032 130 L CA 0.603 55.382 54.840 -0.102 0.000 0.810 130 L CB 1.262 43.132 42.059 -0.314 0.000 1.205 130 L HN 0.920 nan 8.230 nan 0.000 0.422 131 A N 2.440 125.194 122.820 -0.109 0.000 2.523 131 A HA 0.241 4.563 4.320 0.003 0.000 0.212 131 A C 1.458 178.981 177.584 -0.102 0.000 2.213 131 A CA 0.685 52.670 52.037 -0.087 0.000 1.683 131 A CB -0.463 18.501 19.000 -0.060 0.000 1.169 131 A HN 0.710 nan 8.150 nan 0.000 0.397 132 T N -2.882 111.627 114.554 -0.075 0.000 3.035 132 T HA 0.322 4.674 4.350 0.003 0.000 0.268 132 T C 1.489 176.134 174.700 -0.092 0.000 1.109 132 T CA 1.545 63.603 62.100 -0.070 0.000 1.119 132 T CB -0.250 68.596 68.868 -0.037 0.000 0.900 132 T HN 2.248 nan 8.240 nan 0.000 0.503 133 G N 0.171 108.902 108.800 -0.116 0.000 2.179 133 G HA2 -0.207 3.755 3.960 0.003 0.000 0.260 133 G HA3 -0.207 3.755 3.960 0.003 0.000 0.260 133 G C 1.117 175.955 174.900 -0.104 0.000 0.977 133 G CA 0.162 45.181 45.100 -0.135 0.000 0.641 133 G HN 0.944 nan 8.290 nan 0.000 0.533 134 G N -0.162 108.598 108.800 -0.067 0.000 2.440 134 G HA2 -0.045 3.917 3.960 0.003 0.000 0.218 134 G HA3 -0.045 3.917 3.960 0.003 0.000 0.218 134 G C 1.673 176.385 174.900 -0.314 0.000 1.154 134 G CA 2.383 47.455 45.100 -0.048 0.000 0.767 134 G HN 0.660 nan 8.290 nan 0.000 0.552 135 T N 1.360 115.665 114.554 -0.415 0.000 2.701 135 T HA -0.056 4.296 4.350 0.003 0.000 0.263 135 T C 2.512 177.007 174.700 -0.341 0.000 1.040 135 T CA 1.168 62.889 62.100 -0.631 0.000 1.147 135 T CB -0.181 68.478 68.868 -0.348 0.000 0.865 135 T HN 0.028 nan 8.240 nan 0.000 0.426 136 M N 1.428 120.918 119.600 -0.184 0.000 2.159 136 M HA -0.052 4.430 4.480 0.003 0.000 0.263 136 M C 2.216 178.468 176.300 -0.079 0.000 1.063 136 M CA 1.268 56.513 55.300 -0.091 0.000 1.110 136 M CB -1.211 31.363 32.600 -0.042 0.000 1.374 136 M HN 0.235 nan 8.290 nan 0.000 0.411 137 N N 0.643 119.284 118.700 -0.099 0.000 2.188 137 N HA -0.049 4.693 4.740 0.003 0.000 0.184 137 N C 1.582 177.059 175.510 -0.055 0.000 1.018 137 N CA 1.626 54.641 53.050 -0.058 0.000 0.858 137 N CB 0.002 38.462 38.487 -0.045 0.000 0.989 137 N HN 0.278 nan 8.380 nan 0.000 0.426 138 A N 0.185 122.937 122.820 -0.114 0.000 1.930 138 A HA 0.084 4.406 4.320 0.003 0.000 0.217 138 A C 2.297 179.859 177.584 -0.037 0.000 1.175 138 A CA 1.669 53.666 52.037 -0.066 0.000 0.627 138 A CB -1.099 17.827 19.000 -0.124 0.000 0.815 138 A HN 0.418 nan 8.150 nan 0.000 0.443 139 A N -0.943 121.840 122.820 -0.062 0.000 1.902 139 A HA -0.157 4.165 4.320 0.003 0.000 0.217 139 A C 2.288 179.874 177.584 0.004 0.000 1.181 139 A CA 1.644 53.672 52.037 -0.015 0.000 0.623 139 A CB -1.242 17.752 19.000 -0.011 0.000 0.818 139 A HN 0.592 nan 8.150 nan 0.000 0.443 140 C N -0.806 118.494 119.300 0.000 0.000 2.429 140 C HA -0.084 4.378 4.460 0.003 0.000 0.277 140 C C 2.653 177.649 174.990 0.009 0.000 1.262 140 C CA 1.152 60.177 59.018 0.012 0.000 1.733 140 C CB -1.133 26.616 27.740 0.015 0.000 2.010 140 C HN 0.783 nan 8.230 nan 0.000 0.483 141 E N 0.712 120.915 120.200 0.006 0.000 2.058 141 E HA -0.207 4.145 4.350 0.003 0.000 0.194 141 E C 2.040 178.642 176.600 0.003 0.000 0.997 141 E CA 1.233 57.636 56.400 0.006 0.000 0.801 141 E CB -0.178 29.529 29.700 0.012 0.000 0.746 141 E HN 0.618 nan 8.360 nan 0.000 0.450 142 L N 0.508 121.737 121.223 0.010 0.000 2.012 142 L HA -0.228 4.114 4.340 0.003 0.000 0.210 142 L C 2.717 179.590 176.870 0.005 0.000 1.073 142 L CA 1.037 55.883 54.840 0.010 0.000 0.748 142 L CB -0.456 41.622 42.059 0.032 0.000 0.891 142 L HN 0.244 nan 8.230 nan 0.000 0.431 143 L N -0.441 120.789 121.223 0.011 0.000 2.083 143 L HA -0.149 4.193 4.340 0.003 0.000 0.209 143 L C 2.612 179.485 176.870 0.005 0.000 1.083 143 L CA 1.385 56.231 54.840 0.009 0.000 0.752 143 L CB -1.046 41.023 42.059 0.017 0.000 0.899 143 L HN 0.333 nan 8.230 nan 0.000 0.433 144 G N -0.583 108.220 108.800 0.004 0.000 2.448 144 G HA2 -0.186 3.776 3.960 0.003 0.000 0.218 144 G HA3 -0.186 3.776 3.960 0.003 0.000 0.218 144 G C 1.729 176.626 174.900 -0.006 0.000 1.135 144 G CA 0.138 45.240 45.100 0.002 0.000 0.784 144 G HN 0.271 nan 8.290 nan 0.000 0.543 145 R N -0.451 120.042 120.500 -0.012 0.000 2.235 145 R HA 0.212 4.554 4.340 0.003 0.000 0.213 145 R C 1.812 178.098 176.300 -0.023 0.000 1.059 145 R CA 0.263 56.349 56.100 -0.024 0.000 0.997 145 R CB -0.131 30.145 30.300 -0.039 0.000 0.884 145 R HN 0.321 nan 8.270 nan 0.000 0.462 146 L N 0.437 121.651 121.223 -0.015 0.000 2.592 146 L HA 0.079 4.421 4.340 0.003 0.000 0.227 146 L C 0.141 177.007 176.870 -0.006 0.000 1.127 146 L CA 0.214 55.046 54.840 -0.013 0.000 0.884 146 L CB -0.021 42.030 42.059 -0.013 0.000 1.065 146 L HN 0.237 nan 8.230 nan 0.000 0.457 147 Q N -1.000 118.797 119.800 -0.004 0.000 2.494 147 Q HA -0.199 4.143 4.340 0.003 0.000 0.266 147 Q C 0.351 176.356 176.000 0.008 0.000 1.053 147 Q CA 0.459 56.263 55.803 0.001 0.000 1.029 147 Q CB -1.628 27.110 28.738 0.001 0.000 1.423 147 Q HN 0.548 nan 8.270 nan 0.000 0.516 148 A N 0.991 123.817 122.820 0.010 0.000 2.322 148 A HA 0.415 4.737 4.320 0.003 0.000 0.269 148 A C 0.037 177.632 177.584 0.017 0.000 1.094 148 A CA -0.210 51.838 52.037 0.019 0.000 0.807 148 A CB 0.707 19.719 19.000 0.021 0.000 1.047 148 A HN 0.298 nan 8.150 nan 0.000 0.487 149 E N 1.507 121.718 120.200 0.019 0.000 2.115 149 E HA 0.435 4.787 4.350 0.003 0.000 0.282 149 E C -1.253 175.353 176.600 0.009 0.000 0.987 149 E CA -0.467 55.941 56.400 0.014 0.000 0.797 149 E CB 0.825 30.532 29.700 0.012 0.000 1.086 149 E HN 0.378 nan 8.360 nan 0.000 0.397 150 V N 7.348 127.270 119.914 0.013 0.000 2.389 150 V HA 0.043 4.165 4.120 0.003 0.000 0.264 150 V C 1.269 177.364 176.094 0.002 0.000 1.049 150 V CA 0.005 62.312 62.300 0.011 0.000 0.932 150 V CB 0.806 32.645 31.823 0.028 0.000 1.011 150 V HN 0.859 nan 8.190 nan 0.000 0.475 151 L N 2.981 124.171 121.223 -0.055 0.000 2.209 151 L HA 0.280 4.622 4.340 0.003 0.000 0.207 151 L C 1.002 177.864 176.870 -0.014 0.000 1.094 151 L CA 1.031 55.810 54.840 -0.101 0.000 0.790 151 L CB 0.188 42.000 42.059 -0.413 0.000 0.932 151 L HN 0.741 nan 8.230 nan 0.000 0.447 152 E N -2.115 118.077 120.200 -0.013 0.000 2.392 152 E HA 0.268 4.620 4.350 0.003 0.000 0.281 152 E C -1.901 174.759 176.600 0.101 0.000 1.088 152 E CA -0.725 55.736 56.400 0.102 0.000 0.850 152 E CB 1.867 31.686 29.700 0.199 0.000 1.267 152 E HN -0.090 nan 8.360 nan 0.000 0.438 153 C N 2.016 121.417 119.300 0.168 0.000 2.456 153 C HA 0.840 5.302 4.460 0.003 0.000 0.325 153 C C -0.509 174.548 174.990 0.112 0.000 1.217 153 C CA -0.573 58.562 59.018 0.195 0.000 1.687 153 C CB 0.628 28.550 27.740 0.302 0.000 2.270 153 C HN 0.474 nan 8.230 nan 0.000 0.499 154 V N 1.161 121.116 119.914 0.068 0.000 2.962 154 V HA 1.024 5.146 4.120 0.003 0.000 0.313 154 V C -0.407 175.680 176.094 -0.011 0.000 1.099 154 V CA -0.232 62.011 62.300 -0.095 0.000 0.971 154 V CB 1.656 33.497 31.823 0.031 0.000 1.028 154 V HN 1.054 nan 8.190 nan 0.000 0.430 155 S N 2.453 118.083 115.700 -0.118 0.000 2.671 155 S HA 0.699 5.171 4.470 0.003 0.000 0.277 155 S C 0.084 174.581 174.600 -0.173 0.000 1.165 155 S CA -0.679 57.493 58.200 -0.046 0.000 0.822 155 S CB 1.651 64.938 63.200 0.145 0.000 1.150 155 S HN 0.713 nan 8.310 nan 0.000 0.479 156 L N 0.540 121.634 121.223 -0.215 0.000 2.095 156 L HA 0.350 4.692 4.340 0.003 0.000 0.204 156 L C 0.258 177.051 176.870 -0.128 0.000 1.080 156 L CA 1.060 55.766 54.840 -0.223 0.000 0.759 156 L CB -0.232 41.648 42.059 -0.298 0.000 0.914 156 L HN 0.602 nan 8.230 nan 0.000 0.439 157 V N -0.855 119.028 119.914 -0.050 0.000 2.735 157 V HA 0.409 4.531 4.120 0.003 0.000 0.310 157 V C -0.587 175.548 176.094 0.068 0.000 1.061 157 V CA -0.914 61.410 62.300 0.040 0.000 0.913 157 V CB 2.174 34.052 31.823 0.091 0.000 1.005 157 V HN 0.122 nan 8.190 nan 0.000 0.428 158 E N 3.444 123.693 120.200 0.081 0.000 2.246 158 E HA 0.493 4.845 4.350 0.003 0.000 0.266 158 E C -1.944 174.692 176.600 0.060 0.000 0.880 158 E CA -0.834 55.606 56.400 0.068 0.000 0.762 158 E CB 1.816 31.594 29.700 0.130 0.000 1.180 158 E HN 0.431 nan 8.360 nan 0.000 0.416 159 L N 4.834 126.069 121.223 0.019 0.000 2.270 159 L HA 0.197 4.539 4.340 0.003 0.000 0.286 159 L C 1.512 178.376 176.870 -0.009 0.000 1.059 159 L CA 0.064 54.923 54.840 0.032 0.000 0.839 159 L CB 0.462 42.525 42.059 0.005 0.000 1.221 159 L HN 0.779 nan 8.230 nan 0.000 0.431 160 T N -2.539 112.016 114.554 0.001 0.000 2.951 160 T HA -0.111 4.241 4.350 0.003 0.000 0.268 160 T C 1.638 176.324 174.700 -0.023 0.000 1.073 160 T CA 1.022 63.109 62.100 -0.022 0.000 1.134 160 T CB -0.076 68.781 68.868 -0.017 0.000 0.884 160 T HN 0.519 nan 8.240 nan 0.000 0.479 161 S N 0.919 116.612 115.700 -0.011 0.000 2.547 161 S HA 0.100 4.572 4.470 0.003 0.000 0.235 161 S C 1.529 176.115 174.600 -0.023 0.000 0.980 161 S CA 0.110 58.303 58.200 -0.012 0.000 0.941 161 S CB -0.516 62.683 63.200 -0.002 0.000 0.763 161 S HN 0.299 nan 8.310 nan 0.000 0.532 162 L N 0.772 121.974 121.223 -0.035 0.000 2.607 162 L HA 0.414 4.756 4.340 0.003 0.000 0.228 162 L C 0.827 177.661 176.870 -0.061 0.000 1.123 162 L CA 0.316 55.129 54.840 -0.046 0.000 0.890 162 L CB -0.912 41.116 42.059 -0.051 0.000 1.103 162 L HN 0.262 nan 8.230 nan 0.000 0.468 163 K N -0.904 119.456 120.400 -0.067 0.000 3.069 163 K HA -0.234 4.088 4.320 0.003 0.000 0.267 163 K C 1.421 177.959 176.600 -0.103 0.000 1.082 163 K CA 0.351 56.596 56.287 -0.071 0.000 0.782 163 K CB -2.033 30.440 32.500 -0.045 0.000 1.230 163 K HN 0.452 nan 8.250 nan 0.000 0.488 164 G N 0.992 109.699 108.800 -0.155 0.000 2.418 164 G HA2 -0.303 3.659 3.960 0.003 0.000 0.217 164 G HA3 -0.303 3.659 3.960 0.003 0.000 0.217 164 G C 1.272 176.008 174.900 -0.273 0.000 1.158 164 G CA 1.067 46.033 45.100 -0.224 0.000 0.771 164 G HN 0.436 nan 8.290 nan 0.000 0.545 165 R N 0.533 120.853 120.500 -0.300 0.000 2.094 165 R HA -0.144 4.198 4.340 0.003 0.000 0.239 165 R C 2.537 178.793 176.300 -0.073 0.000 1.137 165 R CA 2.022 58.004 56.100 -0.197 0.000 0.943 165 R CB -0.359 29.898 30.300 -0.072 0.000 0.850 165 R HN 0.492 nan 8.270 nan 0.000 0.433 166 E N 0.003 120.170 120.200 -0.055 0.000 2.097 166 E HA -0.266 4.086 4.350 0.003 0.000 0.196 166 E C 1.942 178.525 176.600 -0.029 0.000 1.000 166 E CA 1.574 57.958 56.400 -0.028 0.000 0.804 166 E CB -0.073 29.612 29.700 -0.025 0.000 0.740 166 E HN 0.139 nan 8.360 nan 0.000 0.454 167 K N 1.273 121.642 120.400 -0.051 0.000 2.103 167 K HA -0.133 4.189 4.320 0.003 0.000 0.207 167 K C 1.756 178.335 176.600 -0.035 0.000 1.048 167 K CA 1.223 57.484 56.287 -0.044 0.000 0.930 167 K CB -0.163 32.299 32.500 -0.062 0.000 0.716 167 K HN 0.110 nan 8.250 nan 0.000 0.444 168 L N 0.387 121.584 121.223 -0.044 0.000 2.341 168 L HA 0.209 4.551 4.340 0.003 0.000 0.214 168 L C 0.831 177.715 176.870 0.024 0.000 1.115 168 L CA 0.036 54.872 54.840 -0.008 0.000 0.820 168 L CB -0.559 41.504 42.059 0.006 0.000 0.944 168 L HN 0.131 nan 8.230 nan 0.000 0.452 169 A N 1.566 124.400 122.820 0.023 0.000 2.587 169 A HA 0.083 4.405 4.320 0.003 0.000 0.235 169 A C -1.192 176.409 177.584 0.029 0.000 1.044 169 A CA -0.549 51.509 52.037 0.036 0.000 0.754 169 A CB -0.327 18.691 19.000 0.029 0.000 0.968 169 A HN 0.132 nan 8.150 nan 0.000 0.509 170 P HA 0.108 nan 4.420 nan 0.000 0.255 170 P C -0.185 177.152 177.300 0.062 0.000 1.248 170 P CA -0.003 63.123 63.100 0.044 0.000 0.807 170 P CB -0.093 31.628 31.700 0.035 0.000 1.150 171 V N 3.276 123.230 119.914 0.066 0.000 2.485 171 V HA 0.074 4.196 4.120 0.003 0.000 0.287 171 V C -1.941 174.232 176.094 0.132 0.000 1.022 171 V CA -0.997 61.357 62.300 0.090 0.000 1.067 171 V CB -0.326 31.547 31.823 0.083 0.000 0.967 171 V HN 0.089 nan 8.190 nan 0.000 0.479 172 P HA 0.243 nan 4.420 nan 0.000 0.269 172 P C -0.932 176.528 177.300 0.266 0.000 1.215 172 P CA 0.007 63.222 63.100 0.191 0.000 0.780 172 P CB 0.385 32.196 31.700 0.185 0.000 0.898 173 F N 2.724 122.750 119.950 0.126 0.000 2.591 173 F HA 0.669 5.198 4.527 0.003 0.000 0.309 173 F C -1.830 174.070 175.800 0.167 0.000 1.098 173 F CA -0.946 57.124 58.000 0.117 0.000 0.937 173 F CB 1.290 40.317 39.000 0.045 0.000 1.250 173 F HN 0.182 nan 8.300 nan 0.000 0.447 174 F N 4.648 123.875 119.950 -1.205 0.000 2.574 174 F HA 0.654 5.183 4.527 0.003 0.000 0.313 174 F C -1.417 173.677 175.800 -1.176 0.000 1.130 174 F CA -0.343 57.081 58.000 -0.960 0.000 0.936 174 F CB 1.830 40.376 39.000 -0.758 0.000 1.219 174 F HN 0.518 nan 8.300 nan 0.000 0.445 175 S N 5.818 120.631 115.700 -1.479 0.000 2.542 175 S HA 0.535 5.007 4.470 0.003 0.000 0.293 175 S C 0.429 174.341 174.600 -1.146 0.000 1.089 175 S CA -0.874 56.743 58.200 -0.971 0.000 0.961 175 S CB 1.815 64.846 63.200 -0.282 0.000 1.062 175 S HN 0.810 nan 8.310 nan 0.000 0.483 176 L N 0.619 121.447 121.223 -0.659 0.000 2.056 176 L HA 0.192 4.534 4.340 0.003 0.000 0.207 176 L C 0.065 176.739 176.870 -0.326 0.000 1.078 176 L CA 1.088 55.675 54.840 -0.422 0.000 0.749 176 L CB -0.406 41.532 42.059 -0.200 0.000 0.901 176 L HN 0.535 nan 8.230 nan 0.000 0.433 177 L N -0.785 120.271 121.223 -0.278 0.000 2.401 177 L HA 0.430 4.772 4.340 0.003 0.000 0.266 177 L C -1.200 175.493 176.870 -0.295 0.000 0.991 177 L CA -0.704 53.968 54.840 -0.280 0.000 0.818 177 L CB 2.100 44.030 42.059 -0.216 0.000 1.321 177 L HN -0.092 nan 8.230 nan 0.000 0.413 178 Q N 1.799 121.354 119.800 -0.408 0.000 2.337 178 Q HA 0.646 4.988 4.340 0.003 0.000 0.266 178 Q C -1.701 173.960 176.000 -0.566 0.000 1.023 178 Q CA -0.394 55.218 55.803 -0.319 0.000 0.829 178 Q CB 2.320 30.945 28.738 -0.189 0.000 1.306 178 Q HN 0.303 nan 8.270 nan 0.000 0.449 179 Y N -0.608 119.667 120.300 -0.042 0.000 2.570 179 Y HA 0.393 4.945 4.550 0.003 0.000 0.345 179 Y C 0.718 176.600 175.900 -0.030 0.000 1.014 179 Y CA -1.334 56.746 58.100 -0.033 0.000 1.063 179 Y CB 1.250 39.692 38.460 -0.030 0.000 1.272 179 Y HN 0.433 nan 8.280 nan 0.000 0.477 180 E N 0.000 120.274 120.200 0.124 0.000 2.725 180 E HA 0.000 4.352 4.350 0.003 0.000 0.291 180 E CA 0.000 56.437 56.400 0.062 0.000 0.976 180 E CB 0.000 29.727 29.700 0.045 0.000 0.812 180 E HN 0.000 nan 8.360 nan 0.000 0.440