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 3grp_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMFKLTGRKA LVTGATGGIG EAIARCFHAQ GAIVGLHGTR EDKLKEIAAD DATA SEQUENCE LGKDVFVFSA NLSDRKSIKQ LAEVAEREME GIDILVNNAG ITXXXXXVRM DATA SEQUENCE QDQDWDDVLA VNLTAASTLT RELIHSMMRR RYGRIINITS IXXXXXXXGQ DATA SEQUENCE TNYCAAKAGL IGFSKALAQE IASRNITVNC IAPGFIKSAM TDKLNEKQKE DATA SEQUENCE AIMAMIPMKR MGIGEEIAFA TVYLASDEAA YLTGQTLHIN GGM 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.562 174.600 -0.064 0.000 1.055 0 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 0 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 1 M N 1.966 121.510 119.600 -0.095 0.000 2.211 1 M HA 0.527 5.008 4.480 0.001 0.000 0.356 1 M C -0.443 175.773 176.300 -0.141 0.000 1.216 1 M CA 0.219 55.355 55.300 -0.273 0.000 1.134 1 M CB -0.253 32.109 32.600 -0.397 0.000 1.564 1 M HN 0.464 nan 8.290 nan 0.000 0.463 2 F N 1.102 121.080 119.950 0.047 0.000 2.988 2 F HA -0.263 4.264 4.527 0.001 0.000 0.287 2 F C 0.176 175.995 175.800 0.032 0.000 0.781 2 F CA 0.123 58.161 58.000 0.064 0.000 1.221 2 F CB -1.348 37.717 39.000 0.108 0.000 1.392 2 F HN 0.492 nan 8.300 nan 0.000 0.425 3 K N 1.417 121.880 120.400 0.106 0.000 2.202 3 K HA 0.498 4.819 4.320 0.001 0.000 0.264 3 K C 0.720 177.331 176.600 0.018 0.000 1.010 3 K CA -0.343 55.976 56.287 0.054 0.000 0.940 3 K CB 0.927 33.436 32.500 0.015 0.000 0.983 3 K HN 0.300 nan 8.250 nan 0.000 0.475 4 L N 1.814 123.026 121.223 -0.018 0.000 3.110 4 L HA 0.121 4.462 4.340 0.001 0.000 0.266 4 L C -0.083 176.758 176.870 -0.047 0.000 1.257 4 L CA -0.243 54.557 54.840 -0.066 0.000 1.038 4 L CB 0.438 42.386 42.059 -0.185 0.000 1.395 4 L HN 0.469 nan 8.230 nan 0.000 0.566 5 T N 0.871 115.406 114.554 -0.031 0.000 2.831 5 T HA 0.214 4.565 4.350 0.001 0.000 0.291 5 T C 1.365 176.054 174.700 -0.018 0.000 0.981 5 T CA 1.035 63.119 62.100 -0.026 0.000 1.174 5 T CB 0.832 69.685 68.868 -0.024 0.000 0.929 5 T HN 0.667 nan 8.240 nan 0.000 0.532 6 G N 3.020 111.818 108.800 -0.003 0.000 2.179 6 G HA2 -0.256 3.704 3.960 0.001 0.000 0.260 6 G HA3 -0.256 3.704 3.960 0.001 0.000 0.260 6 G C 0.304 175.222 174.900 0.030 0.000 0.977 6 G CA -0.438 44.672 45.100 0.016 0.000 0.641 6 G HN 0.637 nan 8.290 nan 0.000 0.533 7 R N 0.374 120.889 120.500 0.025 0.000 2.438 7 R HA 0.508 4.849 4.340 0.001 0.000 0.287 7 R C 0.100 176.439 176.300 0.064 0.000 1.077 7 R CA -0.234 55.898 56.100 0.054 0.000 1.034 7 R CB 0.634 30.957 30.300 0.039 0.000 0.993 7 R HN 0.210 nan 8.270 nan 0.000 0.459 8 K N 1.131 121.581 120.400 0.083 0.000 2.227 8 K HA 0.495 4.815 4.320 0.001 0.000 0.280 8 K C -0.549 176.109 176.600 0.097 0.000 1.041 8 K CA -0.132 56.211 56.287 0.092 0.000 0.905 8 K CB 1.831 34.367 32.500 0.059 0.000 1.068 8 K HN 0.694 nan 8.250 nan 0.000 0.470 9 A N 3.108 126.023 122.820 0.158 0.000 2.343 9 A HA 0.582 4.903 4.320 0.001 0.000 0.308 9 A C -1.601 176.114 177.584 0.218 0.000 1.092 9 A CA -0.748 51.420 52.037 0.219 0.000 0.751 9 A CB 0.699 19.948 19.000 0.415 0.000 1.203 9 A HN 0.591 nan 8.150 nan 0.000 0.452 10 L N 3.519 124.831 121.223 0.147 0.000 2.282 10 L HA 0.690 5.031 4.340 0.001 0.000 0.288 10 L C -0.950 175.984 176.870 0.107 0.000 1.033 10 L CA -0.121 54.791 54.840 0.121 0.000 0.807 10 L CB 1.588 43.658 42.059 0.017 0.000 1.209 10 L HN 0.405 nan 8.230 nan 0.000 0.423 11 V N 4.141 124.124 119.914 0.115 0.000 2.378 11 V HA 0.460 4.581 4.120 0.001 0.000 0.288 11 V C 0.383 176.534 176.094 0.095 0.000 1.016 11 V CA -0.406 61.922 62.300 0.048 0.000 0.840 11 V CB 1.413 33.222 31.823 -0.022 0.000 0.994 11 V HN 0.905 nan 8.190 nan 0.000 0.431 12 T N 0.843 115.436 114.554 0.065 0.000 2.849 12 T HA 0.538 4.888 4.350 0.001 0.000 0.284 12 T C 1.102 175.900 174.700 0.163 0.000 1.004 12 T CA 0.286 62.477 62.100 0.152 0.000 1.021 12 T CB 1.352 70.193 68.868 -0.044 0.000 1.013 12 T HN 1.885 nan 8.240 nan 0.000 0.527 13 G N 0.229 109.203 108.800 0.289 0.000 2.356 13 G HA2 -0.048 3.913 3.960 0.001 0.000 0.296 13 G HA3 -0.048 3.913 3.960 0.001 0.000 0.296 13 G C 0.710 175.632 174.900 0.037 0.000 1.022 13 G CA 0.145 45.314 45.100 0.115 0.000 0.961 13 G HN 1.509 nan 8.290 nan 0.000 0.510 14 A N -0.629 122.210 122.820 0.032 0.000 2.251 14 A HA 0.417 4.737 4.320 0.001 0.000 0.209 14 A C 2.303 179.869 177.584 -0.029 0.000 1.187 14 A CA 1.804 53.838 52.037 -0.005 0.000 0.823 14 A CB -0.232 18.779 19.000 0.018 0.000 0.846 14 A HN 1.292 nan 8.150 nan 0.000 0.486 15 T N -3.594 110.937 114.554 -0.039 0.000 3.043 15 T HA 0.376 4.726 4.350 0.001 0.000 0.263 15 T C 0.933 175.610 174.700 -0.038 0.000 1.094 15 T CA 0.736 62.809 62.100 -0.046 0.000 1.127 15 T CB 0.114 68.949 68.868 -0.056 0.000 0.905 15 T HN 0.473 nan 8.240 nan 0.000 0.490 16 G N -1.097 107.683 108.800 -0.034 0.000 2.733 16 G HA2 0.550 4.511 3.960 0.001 0.000 0.288 16 G HA3 0.550 4.511 3.960 0.001 0.000 0.288 16 G C 0.597 175.474 174.900 -0.038 0.000 1.373 16 G CA -0.193 44.887 45.100 -0.033 0.000 0.895 16 G HN 0.484 nan 8.290 nan 0.000 0.479 17 G N -0.120 108.657 108.800 -0.038 0.000 2.686 17 G HA2 -0.384 3.577 3.960 0.001 0.000 0.359 17 G HA3 -0.384 3.577 3.960 0.001 0.000 0.359 17 G C 1.475 176.339 174.900 -0.061 0.000 1.222 17 G CA 1.348 46.421 45.100 -0.044 0.000 0.956 17 G HN 0.914 nan 8.290 nan 0.000 0.565 18 I N 1.571 122.102 120.570 -0.064 0.000 2.179 18 I HA -0.082 4.089 4.170 0.001 0.000 0.242 18 I C 3.204 179.260 176.117 -0.102 0.000 1.088 18 I CA 1.625 62.874 61.300 -0.086 0.000 1.357 18 I CB -0.927 37.027 38.000 -0.077 0.000 1.051 18 I HN 0.574 nan 8.210 nan 0.000 0.409 19 G N 0.327 109.078 108.800 -0.082 0.000 2.476 19 G HA2 -0.332 3.629 3.960 0.001 0.000 0.218 19 G HA3 -0.332 3.629 3.960 0.001 0.000 0.218 19 G C 1.564 176.409 174.900 -0.092 0.000 1.164 19 G CA 1.093 46.142 45.100 -0.084 0.000 0.768 19 G HN 0.473 nan 8.290 nan 0.000 0.560 20 E N 0.416 120.572 120.200 -0.073 0.000 2.106 20 E HA 0.005 4.356 4.350 0.001 0.000 0.192 20 E C 2.795 179.347 176.600 -0.081 0.000 0.984 20 E CA 0.841 57.201 56.400 -0.065 0.000 0.806 20 E CB -0.209 29.460 29.700 -0.052 0.000 0.750 20 E HN 0.357 nan 8.360 nan 0.000 0.458 21 A N 1.070 123.830 122.820 -0.100 0.000 1.930 21 A HA -0.133 4.187 4.320 0.001 0.000 0.217 21 A C 2.123 179.617 177.584 -0.150 0.000 1.175 21 A CA 1.030 52.994 52.037 -0.122 0.000 0.627 21 A CB -0.526 18.381 19.000 -0.153 0.000 0.815 21 A HN 0.299 nan 8.150 nan 0.000 0.443 22 I N -0.221 120.228 120.570 -0.201 0.000 2.179 22 I HA -0.297 3.874 4.170 0.001 0.000 0.242 22 I C 2.979 178.888 176.117 -0.347 0.000 1.088 22 I CA 1.111 62.207 61.300 -0.340 0.000 1.357 22 I CB -0.326 37.407 38.000 -0.445 0.000 1.051 22 I HN 0.361 nan 8.210 nan 0.000 0.409 23 A N 0.799 123.498 122.820 -0.203 0.000 1.902 23 A HA -0.204 4.117 4.320 0.001 0.000 0.217 23 A C 2.391 180.016 177.584 0.069 0.000 1.181 23 A CA 1.542 53.543 52.037 -0.061 0.000 0.623 23 A CB -0.544 18.442 19.000 -0.023 0.000 0.818 23 A HN 0.323 nan 8.150 nan 0.000 0.443 24 R N -1.527 118.994 120.500 0.035 0.000 2.092 24 R HA -0.100 4.241 4.340 0.001 0.000 0.231 24 R C 2.319 178.720 176.300 0.169 0.000 1.119 24 R CA 1.270 57.425 56.100 0.091 0.000 0.970 24 R CB -0.807 29.514 30.300 0.035 0.000 0.864 24 R HN 0.619 nan 8.270 nan 0.000 0.440 25 C N 0.259 119.641 119.300 0.136 0.000 2.432 25 C HA -0.093 4.368 4.460 0.001 0.000 0.277 25 C C 2.401 177.616 174.990 0.375 0.000 1.249 25 C CA 0.495 59.647 59.018 0.224 0.000 1.725 25 C CB -1.020 26.819 27.740 0.165 0.000 2.028 25 C HN 0.387 nan 8.230 nan 0.000 0.477 26 F N 0.354 120.373 119.950 0.115 0.000 2.126 26 F HA -0.118 4.410 4.527 0.001 0.000 0.299 26 F C 2.544 178.421 175.800 0.130 0.000 1.096 26 F CA 1.972 60.044 58.000 0.119 0.000 1.255 26 F CB -1.522 37.547 39.000 0.114 0.000 0.997 26 F HN 0.473 nan 8.300 nan 0.000 0.479 27 H N -0.093 119.136 119.070 0.266 0.000 2.357 27 H HA -0.059 4.497 4.556 0.001 0.000 0.301 27 H C 2.119 177.524 175.328 0.128 0.000 1.082 27 H CA 1.352 57.500 56.048 0.166 0.000 1.342 27 H CB -0.039 29.798 29.762 0.125 0.000 1.389 27 H HN 0.185 nan 8.280 nan 0.000 0.511 28 A N 0.815 123.752 122.820 0.195 0.000 2.024 28 A HA -0.136 4.185 4.320 0.001 0.000 0.220 28 A C 2.108 179.733 177.584 0.068 0.000 1.164 28 A CA 1.235 53.348 52.037 0.127 0.000 0.643 28 A CB -0.166 18.937 19.000 0.171 0.000 0.806 28 A HN 0.428 nan 8.150 nan 0.000 0.451 29 Q N -1.491 118.359 119.800 0.084 0.000 2.320 29 Q HA 0.216 4.557 4.340 0.001 0.000 0.201 29 Q C 1.061 177.057 176.000 -0.006 0.000 0.910 29 Q CA 0.690 56.526 55.803 0.055 0.000 0.946 29 Q CB 0.292 29.081 28.738 0.084 0.000 1.062 29 Q HN 0.960 nan 8.270 nan 0.000 0.503 30 G N 0.453 109.219 108.800 -0.058 0.000 2.157 30 G HA2 -0.259 3.702 3.960 0.001 0.000 0.239 30 G HA3 -0.259 3.702 3.960 0.001 0.000 0.239 30 G C 0.339 175.203 174.900 -0.060 0.000 0.982 30 G CA 0.081 45.131 45.100 -0.084 0.000 0.650 30 G HN 0.555 nan 8.290 nan 0.000 0.527 31 A N -0.194 122.607 122.820 -0.032 0.000 2.351 31 A HA 0.716 5.037 4.320 0.001 0.000 0.257 31 A C 0.502 178.145 177.584 0.098 0.000 1.087 31 A CA -0.077 51.972 52.037 0.020 0.000 0.798 31 A CB 0.362 19.367 19.000 0.008 0.000 1.033 31 A HN 0.786 nan 8.150 nan 0.000 0.488 32 I N 2.335 122.990 120.570 0.142 0.000 2.312 32 I HA 0.305 4.476 4.170 0.001 0.000 0.291 32 I C -0.046 176.246 176.117 0.292 0.000 1.031 32 I CA -0.371 61.069 61.300 0.233 0.000 1.293 32 I CB 1.120 39.261 38.000 0.235 0.000 1.403 32 I HN 0.471 nan 8.210 nan 0.000 0.484 33 V N 3.163 123.288 119.914 0.353 0.000 2.459 33 V HA 0.843 4.964 4.120 0.001 0.000 0.295 33 V C 0.248 176.571 176.094 0.382 0.000 1.029 33 V CA -0.446 62.063 62.300 0.349 0.000 0.874 33 V CB 1.302 33.323 31.823 0.330 0.000 0.985 33 V HN 0.756 nan 8.190 nan 0.000 0.438 34 G N 5.268 114.290 108.800 0.370 0.000 2.347 34 G HA2 0.607 4.567 3.960 0.001 0.000 0.314 34 G HA3 0.607 4.567 3.960 0.001 0.000 0.314 34 G C -0.672 174.451 174.900 0.371 0.000 1.126 34 G CA -0.779 44.605 45.100 0.474 0.000 0.929 34 G HN 0.867 nan 8.290 nan 0.000 0.441 35 L N 4.020 125.426 121.223 0.305 0.000 2.255 35 L HA 0.338 4.679 4.340 0.001 0.000 0.289 35 L C 0.389 177.421 176.870 0.269 0.000 1.046 35 L CA -1.019 53.943 54.840 0.204 0.000 0.816 35 L CB 1.005 43.112 42.059 0.081 0.000 1.197 35 L HN 0.570 nan 8.230 nan 0.000 0.427 36 H N 3.072 122.252 119.070 0.183 0.000 2.467 36 H HA 0.780 5.337 4.556 0.001 0.000 0.331 36 H C -0.561 174.814 175.328 0.079 0.000 1.120 36 H CA 0.038 56.183 56.048 0.161 0.000 1.270 36 H CB 2.052 31.882 29.762 0.113 0.000 1.466 36 H HN 0.704 nan 8.280 nan 0.000 0.504 37 G N 1.525 109.719 108.800 -1.011 0.000 2.490 37 G HA2 0.161 4.122 3.960 0.001 0.000 0.308 37 G HA3 0.161 4.122 3.960 0.001 0.000 0.308 37 G C 0.186 174.766 174.900 -0.533 0.000 1.286 37 G CA 0.060 44.724 45.100 -0.727 0.000 0.825 37 G HN 0.598 nan 8.290 nan 0.000 0.479 38 T N -3.443 110.973 114.554 -0.230 0.000 3.038 38 T HA 0.383 4.734 4.350 0.001 0.000 0.244 38 T C 1.477 176.133 174.700 -0.073 0.000 1.016 38 T CA 1.300 63.335 62.100 -0.107 0.000 1.098 38 T CB -0.089 68.753 68.868 -0.042 0.000 0.954 38 T HN 1.158 nan 8.240 nan 0.000 0.469 39 R N 2.010 122.467 120.500 -0.072 0.000 2.351 39 R HA 0.440 4.781 4.340 0.001 0.000 0.321 39 R C 1.045 177.311 176.300 -0.058 0.000 1.182 39 R CA 0.409 56.477 56.100 -0.053 0.000 1.011 39 R CB -0.922 29.351 30.300 -0.045 0.000 1.048 39 R HN 0.643 nan 8.270 nan 0.000 0.490 40 E N 1.807 121.978 120.200 -0.048 0.000 2.118 40 E HA -0.236 4.115 4.350 0.001 0.000 0.195 40 E C 1.258 177.830 176.600 -0.046 0.000 0.992 40 E CA 2.445 58.817 56.400 -0.046 0.000 0.804 40 E CB 0.227 29.908 29.700 -0.031 0.000 0.741 40 E HN 0.862 nan 8.360 nan 0.000 0.458 41 D N -0.219 120.157 120.400 -0.039 0.000 2.162 41 D HA -0.135 4.506 4.640 0.001 0.000 0.203 41 D C 1.748 178.023 176.300 -0.041 0.000 0.967 41 D CA 0.880 54.858 54.000 -0.037 0.000 0.840 41 D CB -0.403 40.379 40.800 -0.030 0.000 0.972 41 D HN 0.128 nan 8.370 nan 0.000 0.482 42 K N 0.033 120.408 120.400 -0.042 0.000 2.097 42 K HA 0.027 4.347 4.320 0.001 0.000 0.205 42 K C 2.225 178.795 176.600 -0.049 0.000 1.050 42 K CA 0.463 56.724 56.287 -0.043 0.000 0.938 42 K CB -0.110 32.365 32.500 -0.041 0.000 0.718 42 K HN 0.160 nan 8.250 nan 0.000 0.442 43 L N 0.878 122.067 121.223 -0.056 0.000 2.042 43 L HA -0.233 4.108 4.340 0.001 0.000 0.210 43 L C 2.337 179.168 176.870 -0.064 0.000 1.076 43 L CA 1.497 56.301 54.840 -0.061 0.000 0.749 43 L CB -0.289 41.729 42.059 -0.068 0.000 0.893 43 L HN 0.125 nan 8.230 nan 0.000 0.432 44 K N -0.233 120.129 120.400 -0.064 0.000 2.148 44 K HA -0.173 4.148 4.320 0.001 0.000 0.204 44 K C 1.967 178.529 176.600 -0.063 0.000 1.050 44 K CA 1.176 57.422 56.287 -0.068 0.000 0.942 44 K CB -0.049 32.414 32.500 -0.061 0.000 0.724 44 K HN 0.387 nan 8.250 nan 0.000 0.446 45 E N 0.793 120.961 120.200 -0.054 0.000 2.051 45 E HA -0.166 4.184 4.350 0.001 0.000 0.192 45 E C 2.018 178.584 176.600 -0.057 0.000 0.991 45 E CA 1.055 57.425 56.400 -0.050 0.000 0.799 45 E CB -0.086 29.589 29.700 -0.041 0.000 0.748 45 E HN 0.254 nan 8.360 nan 0.000 0.449 46 I N 1.007 121.542 120.570 -0.059 0.000 2.226 46 I HA -0.264 3.906 4.170 0.001 0.000 0.245 46 I C 2.540 178.604 176.117 -0.089 0.000 1.100 46 I CA 0.954 62.215 61.300 -0.066 0.000 1.374 46 I CB -0.300 37.666 38.000 -0.056 0.000 1.057 46 I HN 0.086 nan 8.210 nan 0.000 0.413 47 A N 0.753 123.519 122.820 -0.090 0.000 1.902 47 A HA -0.166 4.155 4.320 0.001 0.000 0.217 47 A C 2.544 180.057 177.584 -0.118 0.000 1.181 47 A CA 1.881 53.851 52.037 -0.112 0.000 0.623 47 A CB -0.840 18.093 19.000 -0.111 0.000 0.818 47 A HN 0.433 nan 8.150 nan 0.000 0.443 48 A N -0.221 122.543 122.820 -0.093 0.000 1.902 48 A HA -0.193 4.128 4.320 0.001 0.000 0.217 48 A C 1.870 179.408 177.584 -0.078 0.000 1.181 48 A CA 2.141 54.131 52.037 -0.079 0.000 0.623 48 A CB -0.687 18.277 19.000 -0.061 0.000 0.818 48 A HN 0.496 nan 8.150 nan 0.000 0.443 49 D N -0.249 120.104 120.400 -0.078 0.000 2.117 49 D HA -0.106 4.535 4.640 0.001 0.000 0.197 49 D C 1.877 178.116 176.300 -0.102 0.000 0.987 49 D CA 1.125 55.082 54.000 -0.071 0.000 0.829 49 D CB -0.153 40.611 40.800 -0.060 0.000 0.961 49 D HN 0.434 nan 8.370 nan 0.000 0.460 50 L N -1.162 119.953 121.223 -0.180 0.000 2.027 50 L HA 0.068 4.409 4.340 0.001 0.000 0.206 50 L C 2.205 178.919 176.870 -0.260 0.000 1.074 50 L CA 1.198 55.819 54.840 -0.365 0.000 0.745 50 L CB -0.493 41.188 42.059 -0.630 0.000 0.898 50 L HN 0.382 nan 8.230 nan 0.000 0.433 51 G N -0.078 108.622 108.800 -0.166 0.000 2.258 51 G HA2 -0.280 3.681 3.960 0.001 0.000 0.233 51 G HA3 -0.280 3.681 3.960 0.001 0.000 0.233 51 G C 0.304 175.188 174.900 -0.027 0.000 1.006 51 G CA 0.378 45.438 45.100 -0.067 0.000 0.620 51 G HN 0.389 nan 8.290 nan 0.000 0.511 52 K N 0.243 120.656 120.400 0.022 0.000 2.587 52 K HA 0.439 4.760 4.320 0.001 0.000 0.276 52 K C -1.105 175.588 176.600 0.155 0.000 0.956 52 K CA 0.085 56.414 56.287 0.069 0.000 0.857 52 K CB 0.793 33.352 32.500 0.098 0.000 1.431 52 K HN -0.006 nan 8.250 nan 0.000 0.420 53 D N 0.554 120.983 120.400 0.049 0.000 2.723 53 D HA -0.120 4.521 4.640 0.001 0.000 0.236 53 D C -1.031 175.350 176.300 0.135 0.000 1.138 53 D CA 0.974 55.032 54.000 0.097 0.000 0.676 53 D CB -0.876 40.019 40.800 0.159 0.000 1.069 53 D HN 0.254 nan 8.370 nan 0.000 0.430 54 V N 0.484 120.351 119.914 -0.078 0.000 2.656 54 V HA 0.648 4.769 4.120 0.001 0.000 0.307 54 V C 0.059 175.968 176.094 -0.307 0.000 1.051 54 V CA -0.741 61.535 62.300 -0.041 0.000 0.893 54 V CB 2.084 33.862 31.823 -0.074 0.000 0.999 54 V HN 0.017 nan 8.190 nan 0.000 0.426 55 F N 2.402 122.332 119.950 -0.034 0.000 2.546 55 F HA 0.763 5.290 4.527 0.001 0.000 0.320 55 F C -0.120 175.449 175.800 -0.385 0.000 1.076 55 F CA -1.006 56.864 58.000 -0.217 0.000 0.928 55 F CB 2.254 41.157 39.000 -0.162 0.000 1.189 55 F HN 0.157 nan 8.300 nan 0.000 0.465 56 V N 3.037 122.671 119.914 -0.467 0.000 2.540 56 V HA 0.541 4.662 4.120 0.001 0.000 0.302 56 V C -1.088 174.613 176.094 -0.655 0.000 1.035 56 V CA -0.923 61.140 62.300 -0.395 0.000 0.873 56 V CB 1.861 33.562 31.823 -0.203 0.000 0.992 56 V HN 0.551 nan 8.190 nan 0.000 0.428 57 F N 1.562 121.557 119.950 0.076 0.000 2.578 57 F HA 0.633 5.161 4.527 0.002 0.000 0.311 57 F C 0.310 176.130 175.800 0.033 0.000 1.094 57 F CA -0.547 57.502 58.000 0.082 0.000 0.923 57 F CB 2.410 41.488 39.000 0.129 0.000 1.230 57 F HN 0.306 nan 8.300 nan 0.000 0.450 58 S N 1.411 117.245 115.700 0.224 0.000 2.537 58 S HA 0.948 5.419 4.470 0.001 0.000 0.301 58 S C -0.892 173.838 174.600 0.217 0.000 1.092 58 S CA -0.669 57.603 58.200 0.120 0.000 1.048 58 S CB 1.864 65.094 63.200 0.051 0.000 1.053 58 S HN 0.873 nan 8.310 nan 0.000 0.501 59 A N 2.354 125.325 122.820 0.252 0.000 2.583 59 A HA 0.556 4.877 4.320 0.001 0.000 0.298 59 A C -1.347 176.373 177.584 0.225 0.000 1.055 59 A CA -0.837 51.331 52.037 0.219 0.000 0.714 59 A CB 0.849 19.954 19.000 0.176 0.000 1.277 59 A HN 0.609 nan 8.150 nan 0.000 0.406 60 N N 1.854 120.618 118.700 0.107 0.000 2.415 60 N HA 0.251 4.991 4.740 0.001 0.000 0.246 60 N C 0.110 175.638 175.510 0.031 0.000 1.078 60 N CA -0.522 52.572 53.050 0.073 0.000 0.942 60 N CB 0.511 39.021 38.487 0.039 0.000 1.140 60 N HN 0.479 nan 8.380 nan 0.000 0.501 61 L N 2.388 123.625 121.223 0.023 0.000 2.622 61 L HA 0.068 4.409 4.340 0.001 0.000 0.233 61 L C 1.615 178.456 176.870 -0.048 0.000 1.156 61 L CA 0.813 55.624 54.840 -0.049 0.000 0.866 61 L CB -0.559 41.449 42.059 -0.086 0.000 0.980 61 L HN 0.502 nan 8.230 nan 0.000 0.448 62 S N -2.007 113.677 115.700 -0.026 0.000 2.548 62 S HA 0.050 4.521 4.470 0.001 0.000 0.215 62 S C 0.481 175.062 174.600 -0.031 0.000 0.976 62 S CA -0.198 57.981 58.200 -0.034 0.000 0.908 62 S CB -0.027 63.160 63.200 -0.023 0.000 0.781 62 S HN 0.379 nan 8.310 nan 0.000 0.519 63 D N 1.078 121.464 120.400 -0.025 0.000 2.381 63 D HA 0.299 4.940 4.640 0.001 0.000 0.235 63 D C 0.918 177.199 176.300 -0.031 0.000 1.068 63 D CA -0.641 53.346 54.000 -0.022 0.000 0.832 63 D CB 0.937 41.732 40.800 -0.009 0.000 1.101 63 D HN -0.083 nan 8.370 nan 0.000 0.515 64 R N 3.445 123.925 120.500 -0.034 0.000 2.083 64 R HA -0.160 4.181 4.340 0.001 0.000 0.237 64 R C 1.287 177.567 176.300 -0.033 0.000 1.137 64 R CA 1.552 57.629 56.100 -0.039 0.000 0.951 64 R CB 0.135 30.415 30.300 -0.035 0.000 0.851 64 R HN 0.372 nan 8.270 nan 0.000 0.434 65 K N -0.266 120.121 120.400 -0.022 0.000 2.097 65 K HA -0.108 4.213 4.320 0.001 0.000 0.206 65 K C 2.238 178.828 176.600 -0.017 0.000 1.049 65 K CA 1.547 57.824 56.287 -0.016 0.000 0.933 65 K CB -0.188 32.307 32.500 -0.009 0.000 0.717 65 K HN 0.116 nan 8.250 nan 0.000 0.442 66 S N 0.901 116.593 115.700 -0.014 0.000 2.402 66 S HA -0.068 4.402 4.470 0.001 0.000 0.229 66 S C 1.871 176.454 174.600 -0.029 0.000 1.021 66 S CA 0.782 58.976 58.200 -0.009 0.000 0.974 66 S CB -0.167 63.036 63.200 0.004 0.000 0.800 66 S HN 0.187 nan 8.310 nan 0.000 0.484 67 I N 0.973 121.512 120.570 -0.050 0.000 2.252 67 I HA -0.157 4.014 4.170 0.001 0.000 0.245 67 I C 2.529 178.599 176.117 -0.078 0.000 1.102 67 I CA 1.181 62.431 61.300 -0.083 0.000 1.385 67 I CB -0.263 37.680 38.000 -0.095 0.000 1.064 67 I HN 0.242 nan 8.210 nan 0.000 0.414 68 K N 0.361 120.728 120.400 -0.055 0.000 2.057 68 K HA -0.262 4.059 4.320 0.001 0.000 0.207 68 K C 2.180 178.753 176.600 -0.045 0.000 1.049 68 K CA 1.449 57.709 56.287 -0.044 0.000 0.931 68 K CB -0.223 32.261 32.500 -0.027 0.000 0.714 68 K HN 0.334 nan 8.250 nan 0.000 0.440 69 Q N 0.866 120.644 119.800 -0.036 0.000 2.050 69 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 69 Q C 2.187 178.155 176.000 -0.053 0.000 0.980 69 Q CA 1.244 57.030 55.803 -0.028 0.000 0.840 69 Q CB -0.074 28.661 28.738 -0.006 0.000 0.898 69 Q HN 0.205 nan 8.270 nan 0.000 0.424 70 L N 0.782 121.961 121.223 -0.072 0.000 1.990 70 L HA -0.182 4.159 4.340 0.001 0.000 0.213 70 L C 2.215 178.951 176.870 -0.224 0.000 1.072 70 L CA 2.473 57.229 54.840 -0.140 0.000 0.755 70 L CB -1.100 40.877 42.059 -0.137 0.000 0.889 70 L HN 0.248 nan 8.230 nan 0.000 0.432 71 A N -0.792 121.928 122.820 -0.166 0.000 1.883 71 A HA -0.311 4.010 4.320 0.001 0.000 0.217 71 A C 2.344 179.846 177.584 -0.136 0.000 1.186 71 A CA 2.033 53.977 52.037 -0.155 0.000 0.624 71 A CB -0.883 18.056 19.000 -0.102 0.000 0.822 71 A HN 0.672 nan 8.150 nan 0.000 0.444 72 E N -0.428 119.716 120.200 -0.093 0.000 2.031 72 E HA -0.146 4.205 4.350 0.001 0.000 0.193 72 E C 1.908 178.462 176.600 -0.076 0.000 0.994 72 E CA 1.671 58.032 56.400 -0.064 0.000 0.800 72 E CB -0.142 29.537 29.700 -0.034 0.000 0.752 72 E HN 0.313 nan 8.360 nan 0.000 0.447 73 V N 1.150 121.013 119.914 -0.085 0.000 2.358 73 V HA -0.210 3.911 4.120 0.001 0.000 0.246 73 V C 2.436 178.459 176.094 -0.119 0.000 1.047 73 V CA 1.645 63.920 62.300 -0.041 0.000 1.035 73 V CB -0.718 31.127 31.823 0.036 0.000 0.658 73 V HN 0.447 nan 8.190 nan 0.000 0.452 74 A N -0.051 122.507 122.820 -0.436 0.000 1.883 74 A HA -0.299 4.022 4.320 0.001 0.000 0.217 74 A C 2.298 179.719 177.584 -0.271 0.000 1.186 74 A CA 2.138 53.775 52.037 -0.667 0.000 0.624 74 A CB -0.574 17.869 19.000 -0.927 0.000 0.822 74 A HN 0.631 nan 8.150 nan 0.000 0.444 75 E N -0.476 119.606 120.200 -0.197 0.000 2.077 75 E HA -0.251 4.100 4.350 0.001 0.000 0.193 75 E C 2.270 178.820 176.600 -0.082 0.000 0.989 75 E CA 1.341 57.670 56.400 -0.117 0.000 0.800 75 E CB -0.141 29.510 29.700 -0.082 0.000 0.746 75 E HN 0.608 nan 8.360 nan 0.000 0.452 76 R N 0.439 120.903 120.500 -0.060 0.000 2.062 76 R HA -0.133 4.208 4.340 0.001 0.000 0.231 76 R C 2.233 178.521 176.300 -0.020 0.000 1.136 76 R CA 1.744 57.830 56.100 -0.024 0.000 0.948 76 R CB -0.086 30.214 30.300 0.001 0.000 0.845 76 R HN 0.192 nan 8.270 nan 0.000 0.430 77 E N 0.120 120.318 120.200 -0.003 0.000 2.058 77 E HA -0.225 4.125 4.350 0.001 0.000 0.194 77 E C 1.949 178.397 176.600 -0.254 0.000 0.997 77 E CA 1.794 58.190 56.400 -0.007 0.000 0.801 77 E CB -0.082 29.709 29.700 0.153 0.000 0.746 77 E HN 0.445 nan 8.360 nan 0.000 0.450 78 M N -0.152 119.215 119.600 -0.388 0.000 2.619 78 M HA -0.013 4.468 4.480 0.001 0.000 0.251 78 M C -0.287 175.906 176.300 -0.177 0.000 1.106 78 M CA 0.594 55.593 55.300 -0.502 0.000 1.086 78 M CB 0.083 32.445 32.600 -0.397 0.000 1.465 78 M HN -0.029 nan 8.290 nan 0.000 0.506 79 E N 0.989 121.130 120.200 -0.098 0.000 2.320 79 E HA -0.109 4.241 4.350 0.001 0.000 0.234 79 E C 0.063 176.650 176.600 -0.022 0.000 1.183 79 E CA 0.314 56.695 56.400 -0.033 0.000 0.713 79 E CB -1.904 27.797 29.700 0.002 0.000 1.226 79 E HN 0.767 nan 8.360 nan 0.000 0.382 80 G N -0.284 108.495 108.800 -0.036 0.000 2.906 80 G HA2 -0.032 3.929 3.960 0.001 0.000 0.686 80 G HA3 -0.032 3.929 3.960 0.001 0.000 0.686 80 G C -0.551 174.337 174.900 -0.020 0.000 1.170 80 G CA -0.570 44.521 45.100 -0.016 0.000 0.775 80 G HN 0.183 nan 8.290 nan 0.000 0.630 81 I N 2.130 122.687 120.570 -0.022 0.000 2.389 81 I HA 0.334 4.505 4.170 0.001 0.000 0.288 81 I C 0.260 176.368 176.117 -0.015 0.000 0.999 81 I CA -0.929 60.360 61.300 -0.019 0.000 1.129 81 I CB 1.772 39.745 38.000 -0.046 0.000 1.288 81 I HN 0.544 nan 8.210 nan 0.000 0.444 82 D N 5.902 126.306 120.400 0.007 0.000 2.277 82 D HA 0.233 4.874 4.640 0.001 0.000 0.209 82 D C 0.361 176.584 176.300 -0.129 0.000 0.970 82 D CA 1.224 55.199 54.000 -0.043 0.000 0.874 82 D CB 0.903 41.780 40.800 0.128 0.000 0.982 82 D HN 0.297 nan 8.370 nan 0.000 0.504 83 I N 1.334 121.885 120.570 -0.032 0.000 2.499 83 I HA 0.214 4.385 4.170 0.001 0.000 0.288 83 I C -1.190 174.959 176.117 0.054 0.000 1.048 83 I CA -0.934 60.367 61.300 0.002 0.000 1.062 83 I CB 2.751 40.784 38.000 0.055 0.000 1.238 83 I HN -0.237 nan 8.210 nan 0.000 0.426 84 L N 8.302 129.541 121.223 0.027 0.000 2.325 84 L HA 0.625 4.966 4.340 0.001 0.000 0.281 84 L C -0.982 175.914 176.870 0.043 0.000 1.004 84 L CA -0.417 54.439 54.840 0.026 0.000 0.823 84 L CB 1.699 43.746 42.059 -0.021 0.000 1.236 84 L HN 0.334 nan 8.230 nan 0.000 0.415 85 V N 5.358 125.299 119.914 0.045 0.000 2.313 85 V HA 0.426 4.547 4.120 0.001 0.000 0.278 85 V C -0.180 175.901 176.094 -0.021 0.000 1.017 85 V CA -0.725 61.581 62.300 0.010 0.000 0.823 85 V CB 0.951 32.752 31.823 -0.037 0.000 1.010 85 V HN 0.706 nan 8.190 nan 0.000 0.443 86 N N 4.093 122.777 118.700 -0.027 0.000 2.439 86 N HA 0.125 4.866 4.740 0.001 0.000 0.243 86 N C 0.649 176.134 175.510 -0.042 0.000 1.088 86 N CA 0.090 53.114 53.050 -0.044 0.000 0.940 86 N CB 1.188 39.646 38.487 -0.049 0.000 1.180 86 N HN 0.731 nan 8.380 nan 0.000 0.505 87 N N 1.641 120.319 118.700 -0.037 0.000 2.445 87 N HA 0.072 4.813 4.740 0.001 0.000 0.204 87 N C 0.164 175.663 175.510 -0.018 0.000 1.098 87 N CA -0.149 52.881 53.050 -0.034 0.000 0.859 87 N CB 0.256 38.719 38.487 -0.041 0.000 1.249 87 N HN 0.433 nan 8.380 nan 0.000 0.462 88 A N -0.367 122.452 122.820 -0.002 0.000 2.547 88 A HA 0.509 4.830 4.320 0.001 0.000 0.233 88 A C 0.811 178.394 177.584 -0.002 0.000 1.067 88 A CA 0.839 52.889 52.037 0.020 0.000 0.763 88 A CB -0.540 18.484 19.000 0.041 0.000 1.007 88 A HN 0.571 nan 8.150 nan 0.000 0.506 89 G N -0.438 108.370 108.800 0.013 0.000 2.428 89 G HA2 0.529 4.490 3.960 0.001 0.000 0.305 89 G HA3 0.529 4.490 3.960 0.001 0.000 0.305 89 G C -0.862 174.063 174.900 0.040 0.000 1.260 89 G CA -0.168 44.942 45.100 0.017 0.000 0.853 89 G HN 1.510 nan 8.290 nan 0.000 0.480 90 I N -1.300 119.322 120.570 0.086 0.000 2.934 90 I HA 0.803 4.974 4.170 0.001 0.000 0.306 90 I C 0.335 176.529 176.117 0.128 0.000 1.110 90 I CA -0.999 60.369 61.300 0.113 0.000 1.019 90 I CB 2.102 40.186 38.000 0.140 0.000 1.227 90 I HN 0.695 nan 8.210 nan 0.000 0.434 98 R N 4.677 125.190 120.500 0.022 0.000 2.500 98 R HA 0.719 5.060 4.340 0.001 0.000 0.275 98 R C -0.608 175.708 176.300 0.026 0.000 1.051 98 R CA -0.816 55.299 56.100 0.026 0.000 1.088 98 R CB 0.765 31.085 30.300 0.033 0.000 1.063 98 R HN 0.502 nan 8.270 nan 0.000 0.511 99 M N 3.122 122.738 119.600 0.027 0.000 2.201 99 M HA 0.065 4.546 4.480 0.001 0.000 0.345 99 M C 0.895 177.218 176.300 0.039 0.000 1.352 99 M CA 0.356 55.672 55.300 0.027 0.000 1.218 99 M CB 0.903 33.517 32.600 0.024 0.000 1.512 99 M HN 0.692 nan 8.290 nan 0.000 0.447 100 Q N 1.042 120.865 119.800 0.039 0.000 2.181 100 Q HA -0.205 4.135 4.340 0.001 0.000 0.205 100 Q C 0.776 176.826 176.000 0.083 0.000 0.980 100 Q CA 1.449 57.286 55.803 0.057 0.000 0.862 100 Q CB 0.243 29.005 28.738 0.041 0.000 0.905 100 Q HN 0.625 nan 8.270 nan 0.000 0.429 101 D N 0.339 120.773 120.400 0.057 0.000 2.144 101 D HA -0.145 4.496 4.640 0.001 0.000 0.200 101 D C 1.806 178.181 176.300 0.126 0.000 0.978 101 D CA 1.035 55.079 54.000 0.073 0.000 0.833 101 D CB -0.051 40.761 40.800 0.020 0.000 0.961 101 D HN 0.374 nan 8.370 nan 0.000 0.470 102 Q N 0.328 120.176 119.800 0.081 0.000 2.123 102 Q HA -0.111 4.230 4.340 0.001 0.000 0.199 102 Q C 1.551 177.588 176.000 0.062 0.000 0.966 102 Q CA 0.807 56.650 55.803 0.065 0.000 0.845 102 Q CB 0.113 28.874 28.738 0.039 0.000 0.907 102 Q HN 0.229 nan 8.270 nan 0.000 0.439 103 D N 0.188 120.629 120.400 0.068 0.000 2.117 103 D HA -0.188 4.453 4.640 0.001 0.000 0.197 103 D C 1.367 177.683 176.300 0.026 0.000 0.987 103 D CA 0.685 54.709 54.000 0.040 0.000 0.829 103 D CB -0.405 40.429 40.800 0.057 0.000 0.961 103 D HN 0.383 nan 8.370 nan 0.000 0.460 104 W N 2.272 123.528 121.300 -0.074 0.000 2.317 104 W HA -0.218 4.443 4.660 0.001 0.000 0.318 104 W C 1.233 177.694 176.519 -0.095 0.000 1.227 104 W CA 1.535 58.825 57.345 -0.092 0.000 1.269 104 W CB -0.264 29.159 29.460 -0.062 0.000 1.155 104 W HN -0.062 nan 8.180 nan 0.000 0.484 105 D N 0.474 120.946 120.400 0.120 0.000 2.117 105 D HA -0.183 4.457 4.640 0.001 0.000 0.197 105 D C 1.625 177.854 176.300 -0.119 0.000 0.987 105 D CA 1.839 55.847 54.000 0.014 0.000 0.829 105 D CB -0.729 40.120 40.800 0.082 0.000 0.961 105 D HN 0.158 nan 8.370 nan 0.000 0.460 106 D N -0.031 120.309 120.400 -0.100 0.000 2.117 106 D HA -0.082 4.559 4.640 0.001 0.000 0.198 106 D C 2.308 178.488 176.300 -0.199 0.000 0.982 106 D CA 0.372 54.303 54.000 -0.115 0.000 0.828 106 D CB -0.246 40.512 40.800 -0.069 0.000 0.967 106 D HN 0.072 nan 8.370 nan 0.000 0.464 107 V N 0.861 120.586 119.914 -0.314 0.000 2.358 107 V HA -0.205 3.916 4.120 0.001 0.000 0.246 107 V C 2.452 178.282 176.094 -0.439 0.000 1.047 107 V CA 1.016 63.039 62.300 -0.461 0.000 1.035 107 V CB -0.340 31.027 31.823 -0.760 0.000 0.658 107 V HN 0.112 nan 8.190 nan 0.000 0.452 108 L N 0.482 121.392 121.223 -0.523 0.000 2.017 108 L HA -0.124 4.217 4.340 0.001 0.000 0.208 108 L C 2.620 179.327 176.870 -0.272 0.000 1.073 108 L CA 2.324 56.897 54.840 -0.444 0.000 0.745 108 L CB -1.318 40.430 42.059 -0.519 0.000 0.894 108 L HN 0.294 nan 8.230 nan 0.000 0.432 109 A N -1.266 121.424 122.820 -0.216 0.000 1.902 109 A HA -0.139 4.181 4.320 0.001 0.000 0.217 109 A C 2.320 179.819 177.584 -0.141 0.000 1.181 109 A CA 2.100 54.048 52.037 -0.149 0.000 0.623 109 A CB -0.781 18.156 19.000 -0.105 0.000 0.818 109 A HN 0.233 nan 8.150 nan 0.000 0.443 110 V N 0.027 119.856 119.914 -0.140 0.000 2.599 110 V HA -0.067 4.054 4.120 0.001 0.000 0.245 110 V C 1.683 177.710 176.094 -0.111 0.000 1.046 110 V CA 1.735 63.972 62.300 -0.105 0.000 1.065 110 V CB -0.666 31.115 31.823 -0.069 0.000 0.703 110 V HN 0.502 nan 8.190 nan 0.000 0.464 111 N N -0.815 117.801 118.700 -0.141 0.000 2.325 111 N HA 0.127 4.868 4.740 0.001 0.000 0.182 111 N C 1.089 176.512 175.510 -0.146 0.000 1.088 111 N CA 0.404 53.383 53.050 -0.119 0.000 0.879 111 N CB 1.103 39.530 38.487 -0.100 0.000 0.983 111 N HN 0.379 nan 8.380 nan 0.000 0.471 112 L N -1.049 120.061 121.223 -0.188 0.000 2.775 112 L HA 0.275 4.615 4.340 0.001 0.000 0.175 112 L C 1.678 178.392 176.870 -0.261 0.000 1.110 112 L CA 1.185 55.896 54.840 -0.213 0.000 0.862 112 L CB -0.659 41.274 42.059 -0.210 0.000 1.381 112 L HN -0.158 nan 8.230 nan 0.000 0.499 113 T N 0.753 115.171 114.554 -0.226 0.000 2.746 113 T HA -0.094 4.257 4.350 0.001 0.000 0.267 113 T C 1.835 176.407 174.700 -0.214 0.000 1.039 113 T CA 1.502 63.471 62.100 -0.219 0.000 1.142 113 T CB -0.500 68.273 68.868 -0.159 0.000 0.866 113 T HN 0.460 nan 8.240 nan 0.000 0.444 114 A N 1.578 124.291 122.820 -0.179 0.000 1.883 114 A HA 0.047 4.368 4.320 0.001 0.000 0.217 114 A C 2.652 180.127 177.584 -0.181 0.000 1.186 114 A CA 2.031 53.973 52.037 -0.159 0.000 0.624 114 A CB -1.177 17.744 19.000 -0.132 0.000 0.822 114 A HN 0.522 nan 8.150 nan 0.000 0.444 115 A N 0.167 122.866 122.820 -0.202 0.000 1.898 115 A HA -0.080 4.241 4.320 0.001 0.000 0.216 115 A C 2.530 179.952 177.584 -0.269 0.000 1.181 115 A CA 2.409 54.327 52.037 -0.198 0.000 0.620 115 A CB -1.000 17.899 19.000 -0.168 0.000 0.819 115 A HN 1.004 nan 8.150 nan 0.000 0.442 116 S N -0.841 114.569 115.700 -0.484 0.000 2.383 116 S HA -0.138 4.333 4.470 0.001 0.000 0.227 116 S C 1.855 176.287 174.600 -0.281 0.000 1.026 116 S CA 1.831 59.604 58.200 -0.711 0.000 0.981 116 S CB -1.156 61.338 63.200 -1.176 0.000 0.818 116 S HN 0.487 nan 8.310 nan 0.000 0.472 117 T N 2.888 117.310 114.554 -0.219 0.000 2.674 117 T HA 0.028 4.379 4.350 0.001 0.000 0.265 117 T C 1.696 176.333 174.700 -0.105 0.000 1.039 117 T CA 1.388 63.410 62.100 -0.129 0.000 1.150 117 T CB -0.610 68.189 68.868 -0.116 0.000 0.864 117 T HN 0.261 nan 8.240 nan 0.000 0.427 118 L N 1.171 122.321 121.223 -0.121 0.000 2.046 118 L HA -0.063 4.277 4.340 0.001 0.000 0.208 118 L C 2.525 179.343 176.870 -0.087 0.000 1.077 118 L CA 1.860 56.634 54.840 -0.111 0.000 0.747 118 L CB -1.356 40.623 42.059 -0.133 0.000 0.896 118 L HN 0.212 nan 8.230 nan 0.000 0.432 119 T N -0.228 114.287 114.554 -0.065 0.000 2.684 119 T HA -0.194 4.157 4.350 0.001 0.000 0.267 119 T C 2.010 176.682 174.700 -0.046 0.000 1.036 119 T CA 1.489 63.577 62.100 -0.019 0.000 1.148 119 T CB -0.227 68.700 68.868 0.099 0.000 0.863 119 T HN 0.318 nan 8.240 nan 0.000 0.436 120 R N 0.863 121.344 120.500 -0.033 0.000 2.120 120 R HA -0.037 4.304 4.340 0.001 0.000 0.234 120 R C 2.393 178.578 176.300 -0.191 0.000 1.123 120 R CA 0.885 56.929 56.100 -0.095 0.000 0.975 120 R CB -0.261 30.028 30.300 -0.018 0.000 0.866 120 R HN 0.450 nan 8.270 nan 0.000 0.446 121 E N 0.655 120.796 120.200 -0.099 0.000 2.153 121 E HA -0.121 4.229 4.350 0.001 0.000 0.194 121 E C 1.948 178.504 176.600 -0.073 0.000 0.988 121 E CA 0.944 57.313 56.400 -0.052 0.000 0.811 121 E CB 0.029 29.704 29.700 -0.041 0.000 0.746 121 E HN 0.357 nan 8.360 nan 0.000 0.466 122 L N 0.541 121.696 121.223 -0.113 0.000 2.590 122 L HA 0.172 4.513 4.340 0.001 0.000 0.227 122 L C 2.279 179.082 176.870 -0.112 0.000 1.099 122 L CA -0.012 54.774 54.840 -0.091 0.000 0.872 122 L CB -0.102 41.907 42.059 -0.084 0.000 1.088 122 L HN 0.084 nan 8.230 nan 0.000 0.479 123 I N -3.690 116.766 120.570 -0.191 0.000 2.761 123 I HA -0.161 4.010 4.170 0.001 0.000 0.261 123 I C 2.127 178.169 176.117 -0.126 0.000 1.198 123 I CA 1.042 62.240 61.300 -0.170 0.000 1.482 123 I CB -0.608 37.286 38.000 -0.176 0.000 1.100 123 I HN 0.212 nan 8.210 nan 0.000 0.445 124 H N 1.610 120.667 119.070 -0.022 0.000 2.267 124 H HA -0.127 4.430 4.556 0.001 0.000 0.297 124 H C 2.620 177.938 175.328 -0.016 0.000 1.080 124 H CA 2.079 58.117 56.048 -0.017 0.000 1.278 124 H CB -0.177 29.576 29.762 -0.016 0.000 1.365 124 H HN 0.298 nan 8.280 nan 0.000 0.489 125 S N 0.409 116.176 115.700 0.112 0.000 2.370 125 S HA -0.198 4.273 4.470 0.001 0.000 0.226 125 S C 2.163 176.782 174.600 0.031 0.000 1.033 125 S CA 1.387 59.620 58.200 0.055 0.000 1.011 125 S CB -0.200 63.019 63.200 0.032 0.000 0.852 125 S HN 0.299 nan 8.310 nan 0.000 0.457 126 M N 0.505 120.105 119.600 0.000 0.000 2.117 126 M HA -0.110 4.371 4.480 0.001 0.000 0.262 126 M C 2.286 178.586 176.300 0.000 0.000 1.065 126 M CA 1.508 56.794 55.300 -0.024 0.000 1.114 126 M CB -0.556 31.992 32.600 -0.086 0.000 1.361 126 M HN 0.303 nan 8.290 nan 0.000 0.408 127 M N -0.905 118.698 119.600 0.005 0.000 2.159 127 M HA -0.210 4.271 4.480 0.001 0.000 0.263 127 M C 2.294 178.615 176.300 0.035 0.000 1.063 127 M CA 1.575 56.886 55.300 0.019 0.000 1.110 127 M CB -0.466 32.151 32.600 0.029 0.000 1.374 127 M HN 0.210 nan 8.290 nan 0.000 0.411 128 R N 0.415 120.941 120.500 0.043 0.000 2.092 128 R HA -0.089 4.251 4.340 0.001 0.000 0.231 128 R C 1.855 178.180 176.300 0.042 0.000 1.119 128 R CA 1.348 57.471 56.100 0.039 0.000 0.970 128 R CB 0.055 30.378 30.300 0.037 0.000 0.864 128 R HN 0.309 nan 8.270 nan 0.000 0.440 129 R N -0.056 120.477 120.500 0.055 0.000 2.297 129 R HA 0.135 4.476 4.340 0.001 0.000 0.197 129 R C 0.049 176.406 176.300 0.096 0.000 0.943 129 R CA 0.069 56.214 56.100 0.075 0.000 1.038 129 R CB 0.178 30.540 30.300 0.104 0.000 0.957 129 R HN 0.163 nan 8.270 nan 0.000 0.484 130 R N -0.102 120.446 120.500 0.079 0.000 3.333 130 R HA -0.244 4.097 4.340 0.001 0.000 0.256 130 R C -1.336 175.063 176.300 0.164 0.000 1.010 130 R CA 0.931 57.082 56.100 0.085 0.000 0.680 130 R CB -1.823 28.515 30.300 0.063 0.000 1.102 130 R HN 0.316 nan 8.270 nan 0.000 0.440 131 Y N -1.410 118.887 120.300 -0.004 0.000 2.465 131 Y HA 0.525 5.075 4.550 0.001 0.000 0.323 131 Y C -0.389 175.505 175.900 -0.011 0.000 1.191 131 Y CA 0.079 58.174 58.100 -0.008 0.000 1.082 131 Y CB 1.690 40.145 38.460 -0.008 0.000 1.334 131 Y HN 0.220 nan 8.280 nan 0.000 0.449 132 G N 4.497 112.779 108.800 -0.862 0.000 2.338 132 G HA2 0.570 4.531 3.960 0.001 0.000 0.295 132 G HA3 0.570 4.531 3.960 0.001 0.000 0.295 132 G C -2.415 172.188 174.900 -0.495 0.000 1.461 132 G CA -1.278 43.363 45.100 -0.765 0.000 0.817 132 G HN 0.479 nan 8.290 nan 0.000 0.556 133 R N 0.193 120.490 120.500 -0.338 0.000 2.515 133 R HA 0.468 4.809 4.340 0.001 0.000 0.291 133 R C -1.146 175.093 176.300 -0.102 0.000 1.046 133 R CA -0.776 55.216 56.100 -0.179 0.000 0.914 133 R CB 1.753 31.973 30.300 -0.133 0.000 1.191 133 R HN 0.440 nan 8.270 nan 0.000 0.435 134 I N 5.181 125.706 120.570 -0.074 0.000 2.378 134 I HA 0.494 4.665 4.170 0.001 0.000 0.291 134 I C 0.153 176.261 176.117 -0.015 0.000 0.992 134 I CA -0.808 60.470 61.300 -0.036 0.000 1.154 134 I CB 1.462 39.441 38.000 -0.034 0.000 1.315 134 I HN 0.504 nan 8.210 nan 0.000 0.448 135 I N 6.421 126.995 120.570 0.008 0.000 2.468 135 I HA 0.313 4.483 4.170 0.001 0.000 0.285 135 I C -0.419 175.701 176.117 0.004 0.000 1.039 135 I CA -0.486 60.821 61.300 0.012 0.000 1.074 135 I CB 1.625 39.651 38.000 0.043 0.000 1.228 135 I HN 0.394 nan 8.210 nan 0.000 0.436 136 N N 7.368 126.067 118.700 -0.002 0.000 2.424 136 N HA 0.430 5.171 4.740 0.001 0.000 0.271 136 N C -0.755 174.739 175.510 -0.025 0.000 0.985 136 N CA -0.529 52.516 53.050 -0.008 0.000 0.921 136 N CB 2.326 40.821 38.487 0.013 0.000 1.149 136 N HN 0.354 nan 8.380 nan 0.000 0.492 137 I N 2.074 122.624 120.570 -0.034 0.000 2.297 137 I HA 0.102 4.273 4.170 0.001 0.000 0.291 137 I C 1.501 177.593 176.117 -0.041 0.000 1.033 137 I CA -0.470 60.804 61.300 -0.044 0.000 1.253 137 I CB 0.030 38.000 38.000 -0.050 0.000 1.396 137 I HN 0.403 nan 8.210 nan 0.000 0.476 138 T N 2.824 117.351 114.554 -0.045 0.000 2.788 138 T HA 0.332 4.683 4.350 0.001 0.000 0.287 138 T C 0.698 175.378 174.700 -0.033 0.000 1.007 138 T CA -0.653 61.426 62.100 -0.034 0.000 1.005 138 T CB 0.998 69.846 68.868 -0.034 0.000 1.012 138 T HN 0.641 nan 8.240 nan 0.000 0.530 139 S N 0.826 116.518 115.700 -0.014 0.000 2.584 139 S HA 0.366 4.837 4.470 0.001 0.000 0.270 139 S C 0.439 175.003 174.600 -0.061 0.000 1.346 139 S CA -0.967 57.221 58.200 -0.020 0.000 1.018 139 S CB -0.268 62.956 63.200 0.040 0.000 0.899 139 S HN 0.650 nan 8.310 nan 0.000 0.542 149 Q N 0.408 120.307 119.800 0.164 0.000 2.291 149 Q HA -0.019 4.322 4.340 0.001 0.000 0.205 149 Q C 2.374 178.494 176.000 0.200 0.000 0.970 149 Q CA 1.569 57.479 55.803 0.179 0.000 0.876 149 Q CB -0.123 28.674 28.738 0.097 0.000 0.935 149 Q HN 0.348 nan 8.270 nan 0.000 0.455 150 T N 1.324 115.978 114.554 0.166 0.000 2.746 150 T HA -0.120 4.231 4.350 0.001 0.000 0.267 150 T C 1.461 176.261 174.700 0.166 0.000 1.039 150 T CA 1.334 63.527 62.100 0.156 0.000 1.142 150 T CB -0.186 68.770 68.868 0.146 0.000 0.866 150 T HN 0.295 nan 8.240 nan 0.000 0.444 151 N N 0.592 119.378 118.700 0.144 0.000 2.120 151 N HA -0.068 4.673 4.740 0.001 0.000 0.188 151 N C 1.590 176.945 175.510 -0.259 0.000 1.024 151 N CA 1.270 54.281 53.050 -0.064 0.000 0.852 151 N CB -0.596 37.788 38.487 -0.171 0.000 1.003 151 N HN 0.502 nan 8.380 nan 0.000 0.424 152 Y N 0.657 120.921 120.300 -0.060 0.000 2.242 152 Y HA -0.115 4.436 4.550 0.001 0.000 0.291 152 Y C 2.652 178.515 175.900 -0.062 0.000 1.137 152 Y CA 0.623 58.678 58.100 -0.076 0.000 1.181 152 Y CB -0.626 37.807 38.460 -0.045 0.000 0.989 152 Y HN 0.077 nan 8.280 nan 0.000 0.527 153 C N -0.519 118.852 119.300 0.119 0.000 2.429 153 C HA -0.178 4.282 4.460 0.001 0.000 0.277 153 C C 3.010 178.019 174.990 0.032 0.000 1.262 153 C CA 0.978 60.039 59.018 0.071 0.000 1.733 153 C CB -1.486 26.301 27.740 0.079 0.000 2.010 153 C HN 0.635 nan 8.230 nan 0.000 0.483 154 A N 0.622 123.448 122.820 0.009 0.000 1.877 154 A HA 0.048 4.369 4.320 0.001 0.000 0.216 154 A C 2.385 179.910 177.584 -0.098 0.000 1.186 154 A CA 2.127 54.155 52.037 -0.015 0.000 0.620 154 A CB -0.985 18.020 19.000 0.008 0.000 0.822 154 A HN 0.568 nan 8.150 nan 0.000 0.443 155 A N -0.189 122.511 122.820 -0.199 0.000 1.902 155 A HA -0.182 4.138 4.320 0.001 0.000 0.217 155 A C 2.150 179.678 177.584 -0.092 0.000 1.181 155 A CA 2.089 54.006 52.037 -0.200 0.000 0.623 155 A CB -0.454 18.384 19.000 -0.270 0.000 0.818 155 A HN 0.596 nan 8.150 nan 0.000 0.443 156 K N -0.325 120.050 120.400 -0.041 0.000 2.025 156 K HA -0.035 4.286 4.320 0.001 0.000 0.207 156 K C 2.171 178.774 176.600 0.006 0.000 1.049 156 K CA 1.222 57.505 56.287 -0.007 0.000 0.933 156 K CB -0.382 32.129 32.500 0.018 0.000 0.714 156 K HN 0.310 nan 8.250 nan 0.000 0.438 157 A N 0.902 123.731 122.820 0.015 0.000 1.908 157 A HA -0.096 4.224 4.320 0.001 0.000 0.218 157 A C 2.373 179.975 177.584 0.030 0.000 1.181 157 A CA 1.990 54.045 52.037 0.030 0.000 0.627 157 A CB -1.298 17.725 19.000 0.038 0.000 0.818 157 A HN 0.590 nan 8.150 nan 0.000 0.445 158 G N -0.371 108.436 108.800 0.011 0.000 2.418 158 G HA2 -0.119 3.842 3.960 0.001 0.000 0.217 158 G HA3 -0.119 3.842 3.960 0.001 0.000 0.217 158 G C 1.474 176.404 174.900 0.049 0.000 1.158 158 G CA 1.166 46.278 45.100 0.020 0.000 0.771 158 G HN 0.485 nan 8.290 nan 0.000 0.545 159 L N 0.798 122.032 121.223 0.018 0.000 2.046 159 L HA 0.104 4.444 4.340 0.001 0.000 0.208 159 L C 2.655 179.593 176.870 0.113 0.000 1.077 159 L CA 1.314 56.184 54.840 0.050 0.000 0.747 159 L CB -0.432 41.621 42.059 -0.010 0.000 0.896 159 L HN 0.262 nan 8.230 nan 0.000 0.432 160 I N -0.612 119.995 120.570 0.061 0.000 2.286 160 I HA -0.219 3.952 4.170 0.001 0.000 0.248 160 I C 2.383 178.532 176.117 0.053 0.000 1.115 160 I CA 1.326 62.654 61.300 0.047 0.000 1.392 160 I CB -0.953 37.067 38.000 0.032 0.000 1.065 160 I HN 0.427 nan 8.210 nan 0.000 0.418 161 G N 0.290 109.131 108.800 0.068 0.000 2.403 161 G HA2 -0.272 3.689 3.960 0.001 0.000 0.216 161 G HA3 -0.272 3.689 3.960 0.001 0.000 0.216 161 G C 1.584 176.520 174.900 0.061 0.000 1.154 161 G CA 0.216 45.347 45.100 0.053 0.000 0.784 161 G HN 0.344 nan 8.290 nan 0.000 0.538 162 F N 2.493 122.427 119.950 -0.026 0.000 2.095 162 F HA -0.134 4.394 4.527 0.002 0.000 0.298 162 F C 2.812 178.589 175.800 -0.038 0.000 1.104 162 F CA 1.988 59.968 58.000 -0.033 0.000 1.232 162 F CB -0.213 38.762 39.000 -0.040 0.000 0.987 162 F HN 0.151 nan 8.300 nan 0.000 0.475 163 S N 0.434 116.125 115.700 -0.015 0.000 2.368 163 S HA -0.185 4.285 4.470 0.001 0.000 0.225 163 S C 1.878 176.373 174.600 -0.174 0.000 1.030 163 S CA 1.480 59.608 58.200 -0.120 0.000 0.999 163 S CB -0.342 62.866 63.200 0.013 0.000 0.844 163 S HN 0.399 nan 8.310 nan 0.000 0.459 164 K N 1.448 121.783 120.400 -0.107 0.000 2.057 164 K HA -0.013 4.308 4.320 0.001 0.000 0.207 164 K C 2.445 178.966 176.600 -0.132 0.000 1.049 164 K CA 1.213 57.443 56.287 -0.096 0.000 0.931 164 K CB -0.340 32.129 32.500 -0.051 0.000 0.714 164 K HN 0.334 nan 8.250 nan 0.000 0.440 165 A N 1.469 124.191 122.820 -0.163 0.000 1.873 165 A HA -0.156 4.165 4.320 0.001 0.000 0.215 165 A C 2.120 179.563 177.584 -0.235 0.000 1.186 165 A CA 1.133 53.066 52.037 -0.173 0.000 0.616 165 A CB -0.606 18.302 19.000 -0.154 0.000 0.823 165 A HN 0.223 nan 8.150 nan 0.000 0.442 166 L N -0.034 120.952 121.223 -0.396 0.000 2.042 166 L HA -0.142 4.199 4.340 0.001 0.000 0.210 166 L C 2.697 179.426 176.870 -0.235 0.000 1.076 166 L CA 2.237 56.841 54.840 -0.394 0.000 0.749 166 L CB -0.798 40.882 42.059 -0.632 0.000 0.893 166 L HN 0.373 nan 8.230 nan 0.000 0.432 167 A N -1.314 121.383 122.820 -0.204 0.000 1.940 167 A HA -0.247 4.074 4.320 0.001 0.000 0.219 167 A C 2.142 179.657 177.584 -0.116 0.000 1.176 167 A CA 1.735 53.687 52.037 -0.142 0.000 0.631 167 A CB -0.527 18.400 19.000 -0.121 0.000 0.814 167 A HN 0.614 nan 8.150 nan 0.000 0.446 168 Q N -0.584 119.148 119.800 -0.113 0.000 2.084 168 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 168 Q C 1.950 177.903 176.000 -0.078 0.000 0.978 168 Q CA 1.614 57.365 55.803 -0.087 0.000 0.844 168 Q CB -0.409 28.283 28.738 -0.078 0.000 0.898 168 Q HN 0.873 nan 8.270 nan 0.000 0.426 169 E N 0.498 120.642 120.200 -0.094 0.000 2.106 169 E HA -0.129 4.222 4.350 0.001 0.000 0.192 169 E C 1.710 178.271 176.600 -0.065 0.000 0.984 169 E CA 1.080 57.433 56.400 -0.078 0.000 0.806 169 E CB 0.121 29.762 29.700 -0.099 0.000 0.750 169 E HN 0.485 nan 8.360 nan 0.000 0.458 170 I N -4.212 116.312 120.570 -0.077 0.000 4.081 170 I HA 0.407 4.577 4.170 0.001 0.000 0.333 170 I C 1.792 177.877 176.117 -0.052 0.000 1.413 170 I CA 0.079 61.342 61.300 -0.062 0.000 1.110 170 I CB 0.608 38.563 38.000 -0.076 0.000 1.082 170 I HN -0.106 nan 8.210 nan 0.000 0.402 171 A N 2.371 125.158 122.820 -0.056 0.000 1.948 171 A HA -0.249 4.072 4.320 0.001 0.000 0.220 171 A C 2.522 180.097 177.584 -0.016 0.000 1.177 171 A CA 2.588 54.598 52.037 -0.045 0.000 0.636 171 A CB -0.941 18.024 19.000 -0.058 0.000 0.815 171 A HN 0.706 nan 8.150 nan 0.000 0.449 172 S N -1.116 114.577 115.700 -0.012 0.000 2.474 172 S HA -0.039 4.432 4.470 0.001 0.000 0.235 172 S C 1.465 176.072 174.600 0.013 0.000 0.997 172 S CA 0.654 58.857 58.200 0.005 0.000 0.949 172 S CB -0.197 63.005 63.200 0.003 0.000 0.766 172 S HN 0.493 nan 8.310 nan 0.000 0.517 173 R N 1.696 122.199 120.500 0.005 0.000 2.356 173 R HA 0.239 4.580 4.340 0.001 0.000 0.234 173 R C -0.182 176.133 176.300 0.025 0.000 0.929 173 R CA -0.030 56.079 56.100 0.014 0.000 1.084 173 R CB -0.891 29.411 30.300 0.004 0.000 1.105 173 R HN 0.453 nan 8.270 nan 0.000 0.515 174 N N 0.951 119.668 118.700 0.029 0.000 2.727 174 N HA -0.209 4.531 4.740 0.001 0.000 0.249 174 N C -0.557 174.959 175.510 0.010 0.000 1.048 174 N CA 0.922 54.001 53.050 0.049 0.000 0.714 174 N CB -1.559 36.988 38.487 0.101 0.000 0.959 174 N HN 0.347 nan 8.380 nan 0.000 0.544 175 I N 0.694 121.239 120.570 -0.041 0.000 2.339 175 I HA 0.181 4.351 4.170 0.001 0.000 0.290 175 I C 1.009 177.074 176.117 -0.085 0.000 0.994 175 I CA -0.626 60.615 61.300 -0.099 0.000 1.191 175 I CB 1.570 39.505 38.000 -0.107 0.000 1.343 175 I HN 0.036 nan 8.210 nan 0.000 0.458 176 T N 3.323 117.822 114.554 -0.092 0.000 2.909 176 T HA 0.696 5.046 4.350 0.001 0.000 0.286 176 T C -0.375 174.273 174.700 -0.087 0.000 1.002 176 T CA -0.660 61.391 62.100 -0.081 0.000 1.074 176 T CB 1.807 70.634 68.868 -0.069 0.000 0.984 176 T HN 0.243 nan 8.240 nan 0.000 0.495 177 V N 3.645 123.509 119.914 -0.083 0.000 2.482 177 V HA 0.561 4.682 4.120 0.001 0.000 0.295 177 V C -0.731 175.325 176.094 -0.063 0.000 1.026 177 V CA -0.904 61.351 62.300 -0.076 0.000 0.856 177 V CB 1.354 33.114 31.823 -0.104 0.000 1.001 177 V HN 0.977 nan 8.190 nan 0.000 0.424 178 N N 2.065 120.738 118.700 -0.045 0.000 2.416 178 N HA 0.645 5.385 4.740 0.001 0.000 0.276 178 N C -1.448 174.045 175.510 -0.029 0.000 1.261 178 N CA -0.334 52.693 53.050 -0.038 0.000 0.790 178 N CB 2.381 40.846 38.487 -0.037 0.000 1.554 178 N HN 0.553 nan 8.380 nan 0.000 0.481 179 C N 0.837 120.112 119.300 -0.041 0.000 2.614 179 C HA 0.665 5.126 4.460 0.001 0.000 0.320 179 C C 0.047 174.988 174.990 -0.083 0.000 1.200 179 C CA -0.595 58.390 59.018 -0.054 0.000 1.700 179 C CB 0.765 28.468 27.740 -0.062 0.000 2.275 179 C HN 0.555 nan 8.230 nan 0.000 0.492 180 I N 2.228 122.750 120.570 -0.079 0.000 2.406 180 I HA 0.523 4.694 4.170 0.001 0.000 0.290 180 I C 0.173 176.220 176.117 -0.117 0.000 0.999 180 I CA -0.164 61.078 61.300 -0.097 0.000 1.124 180 I CB 1.398 39.369 38.000 -0.049 0.000 1.289 180 I HN 0.754 nan 8.210 nan 0.000 0.441 181 A N 8.374 131.086 122.820 -0.179 0.000 2.412 181 A HA 0.697 5.017 4.320 0.001 0.000 0.334 181 A C -2.602 174.939 177.584 -0.071 0.000 1.419 181 A CA -1.543 50.416 52.037 -0.129 0.000 0.930 181 A CB -0.181 18.722 19.000 -0.162 0.000 1.149 181 A HN 0.316 nan 8.150 nan 0.000 0.515 182 P HA 0.323 nan 4.420 nan 0.000 0.275 182 P C 0.831 178.070 177.300 -0.100 0.000 1.228 182 P CA 0.154 63.218 63.100 -0.062 0.000 0.786 182 P CB 1.234 32.896 31.700 -0.062 0.000 0.927 183 G N 1.033 109.774 108.800 -0.099 0.000 2.783 183 G HA2 0.298 4.259 3.960 0.001 0.000 0.182 183 G HA3 0.298 4.259 3.960 0.001 0.000 0.182 183 G C -0.803 173.947 174.900 -0.250 0.000 1.516 183 G CA -0.542 44.424 45.100 -0.223 0.000 1.079 183 G HN 0.316 nan 8.290 nan 0.000 0.573 184 F N 0.847 120.797 119.950 -0.001 0.000 2.471 184 F HA 0.342 4.870 4.527 0.002 0.000 0.365 184 F C 0.382 176.175 175.800 -0.012 0.000 1.095 184 F CA -0.176 57.818 58.000 -0.011 0.000 1.174 184 F CB 0.618 39.612 39.000 -0.010 0.000 1.105 184 F HN -0.153 nan 8.300 nan 0.000 0.535 185 I N 3.555 124.204 120.570 0.132 0.000 2.441 185 I HA 0.209 4.380 4.170 0.001 0.000 0.295 185 I C 0.199 176.351 176.117 0.059 0.000 0.994 185 I CA -1.264 60.075 61.300 0.065 0.000 1.144 185 I CB 1.610 39.617 38.000 0.012 0.000 1.314 185 I HN 0.497 nan 8.210 nan 0.000 0.445 186 K N 4.422 124.845 120.400 0.039 0.000 2.489 186 K HA 0.218 4.538 4.320 0.001 0.000 0.278 186 K C -0.051 176.554 176.600 0.008 0.000 1.000 186 K CA 0.375 56.675 56.287 0.022 0.000 1.012 186 K CB 0.550 33.057 32.500 0.012 0.000 0.903 186 K HN 0.934 nan 8.250 nan 0.000 0.485 187 S N 1.740 117.444 115.700 0.006 0.000 2.661 187 S HA 0.410 4.881 4.470 0.001 0.000 0.268 187 S C 0.586 175.184 174.600 -0.005 0.000 1.162 187 S CA -0.454 57.744 58.200 -0.003 0.000 0.817 187 S CB 0.914 64.113 63.200 -0.002 0.000 1.141 187 S HN 0.525 nan 8.310 nan 0.000 0.477 188 A N 0.515 123.330 122.820 -0.008 0.000 1.917 188 A HA 0.099 4.420 4.320 0.001 0.000 0.219 188 A C 2.726 180.305 177.584 -0.008 0.000 1.182 188 A CA 3.605 55.636 52.037 -0.009 0.000 0.633 188 A CB -1.746 17.248 19.000 -0.010 0.000 0.819 188 A HN 1.676 nan 8.150 nan 0.000 0.448 189 M N -0.451 119.145 119.600 -0.007 0.000 2.086 189 M HA -0.111 4.369 4.480 0.001 0.000 0.261 189 M C 2.546 178.842 176.300 -0.006 0.000 1.067 189 M CA 2.924 58.220 55.300 -0.006 0.000 1.116 189 M CB -2.494 30.103 32.600 -0.005 0.000 1.348 189 M HN 0.963 nan 8.290 nan 0.000 0.407 190 T N -2.364 112.190 114.554 -0.000 0.000 2.904 190 T HA -0.160 4.191 4.350 0.001 0.000 0.267 190 T C 1.540 176.228 174.700 -0.020 0.000 1.059 190 T CA 1.541 63.635 62.100 -0.010 0.000 1.137 190 T CB -0.884 67.986 68.868 0.003 0.000 0.879 190 T HN 0.592 nan 8.240 nan 0.000 0.467 191 D N 1.679 122.071 120.400 -0.013 0.000 2.228 191 D HA -0.052 4.589 4.640 0.001 0.000 0.203 191 D C 2.009 178.299 176.300 -0.018 0.000 0.988 191 D CA 0.975 54.966 54.000 -0.015 0.000 0.864 191 D CB -0.154 40.640 40.800 -0.011 0.000 0.928 191 D HN 0.522 nan 8.370 nan 0.000 0.469 192 K N -0.122 120.267 120.400 -0.017 0.000 2.432 192 K HA 0.065 4.386 4.320 0.001 0.000 0.196 192 K C 0.610 177.197 176.600 -0.022 0.000 1.038 192 K CA -0.082 56.195 56.287 -0.017 0.000 0.986 192 K CB 0.246 32.737 32.500 -0.014 0.000 0.782 192 K HN 0.167 nan 8.250 nan 0.000 0.485 193 L N 3.320 124.525 121.223 -0.030 0.000 2.490 193 L HA -0.065 4.276 4.340 0.001 0.000 0.274 193 L C 0.605 177.454 176.870 -0.035 0.000 1.201 193 L CA -0.442 54.374 54.840 -0.039 0.000 0.869 193 L CB -0.158 41.864 42.059 -0.061 0.000 1.123 193 L HN 0.254 nan 8.230 nan 0.000 0.484 194 N N 1.568 120.249 118.700 -0.032 0.000 2.327 194 N HA 0.005 4.746 4.740 0.001 0.000 0.257 194 N C 0.655 176.145 175.510 -0.033 0.000 1.281 194 N CA -0.456 52.577 53.050 -0.028 0.000 0.942 194 N CB 0.410 38.884 38.487 -0.022 0.000 1.199 194 N HN 0.422 nan 8.380 nan 0.000 0.532 195 E N -0.079 120.104 120.200 -0.028 0.000 2.049 195 E HA -0.259 4.092 4.350 0.001 0.000 0.198 195 E C 1.506 178.085 176.600 -0.034 0.000 1.007 195 E CA 2.072 58.455 56.400 -0.029 0.000 0.809 195 E CB -0.393 29.294 29.700 -0.022 0.000 0.749 195 E HN 0.832 nan 8.360 nan 0.000 0.450 196 K N 0.592 120.973 120.400 -0.031 0.000 2.103 196 K HA -0.094 4.227 4.320 0.001 0.000 0.204 196 K C 2.138 178.712 176.600 -0.044 0.000 1.052 196 K CA 1.273 57.540 56.287 -0.032 0.000 0.945 196 K CB -0.495 31.990 32.500 -0.024 0.000 0.722 196 K HN 0.042 nan 8.250 nan 0.000 0.443 197 Q N 0.725 120.497 119.800 -0.048 0.000 2.020 197 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 197 Q C 2.178 178.121 176.000 -0.095 0.000 0.982 197 Q CA 1.531 57.295 55.803 -0.065 0.000 0.838 197 Q CB -0.132 28.572 28.738 -0.058 0.000 0.899 197 Q HN 0.243 nan 8.270 nan 0.000 0.423 198 K N 0.619 120.967 120.400 -0.086 0.000 2.020 198 K HA -0.232 4.088 4.320 0.001 0.000 0.212 198 K C 2.037 178.577 176.600 -0.099 0.000 1.050 198 K CA 1.496 57.723 56.287 -0.100 0.000 0.929 198 K CB -0.069 32.389 32.500 -0.071 0.000 0.714 198 K HN 0.047 nan 8.250 nan 0.000 0.443 199 E N 0.497 120.655 120.200 -0.070 0.000 2.153 199 E HA -0.091 4.260 4.350 0.001 0.000 0.194 199 E C 1.584 178.144 176.600 -0.066 0.000 0.988 199 E CA 1.410 57.775 56.400 -0.059 0.000 0.811 199 E CB -0.199 29.477 29.700 -0.039 0.000 0.746 199 E HN 0.311 nan 8.360 nan 0.000 0.466 200 A N 0.435 123.211 122.820 -0.074 0.000 1.902 200 A HA -0.119 4.202 4.320 0.001 0.000 0.217 200 A C 2.362 179.879 177.584 -0.111 0.000 1.181 200 A CA 1.410 53.404 52.037 -0.072 0.000 0.623 200 A CB -0.597 18.366 19.000 -0.062 0.000 0.818 200 A HN 0.338 nan 8.150 nan 0.000 0.443 201 I N -0.903 119.551 120.570 -0.194 0.000 2.252 201 I HA -0.234 3.937 4.170 0.001 0.000 0.245 201 I C 2.485 178.462 176.117 -0.232 0.000 1.102 201 I CA 0.995 62.082 61.300 -0.354 0.000 1.385 201 I CB -0.331 37.300 38.000 -0.615 0.000 1.064 201 I HN 0.241 nan 8.210 nan 0.000 0.414 202 M N 0.536 120.046 119.600 -0.150 0.000 2.149 202 M HA -0.153 4.328 4.480 0.001 0.000 0.261 202 M C 2.518 178.796 176.300 -0.036 0.000 1.064 202 M CA 1.712 56.966 55.300 -0.076 0.000 1.102 202 M CB -1.428 31.138 32.600 -0.056 0.000 1.369 202 M HN 0.271 nan 8.290 nan 0.000 0.408 203 A N -0.630 122.168 122.820 -0.037 0.000 2.070 203 A HA -0.100 4.220 4.320 0.001 0.000 0.220 203 A C 2.125 179.714 177.584 0.008 0.000 1.159 203 A CA 1.151 53.181 52.037 -0.013 0.000 0.656 203 A CB -0.596 18.395 19.000 -0.015 0.000 0.800 203 A HN 0.529 nan 8.150 nan 0.000 0.453 204 M N -0.789 118.821 119.600 0.016 0.000 2.541 204 M HA 0.237 4.718 4.480 0.001 0.000 0.252 204 M C -0.391 175.965 176.300 0.094 0.000 1.125 204 M CA 0.714 56.055 55.300 0.069 0.000 1.091 204 M CB 0.141 32.821 32.600 0.133 0.000 1.420 204 M HN 0.194 nan 8.290 nan 0.000 0.486 205 I N 0.688 121.302 120.570 0.073 0.000 2.390 205 I HA 0.199 4.369 4.170 0.001 0.000 0.283 205 I C -1.878 174.269 176.117 0.050 0.000 1.016 205 I CA -1.968 59.383 61.300 0.087 0.000 1.151 205 I CB 1.329 39.391 38.000 0.103 0.000 1.293 205 I HN -0.192 nan 8.210 nan 0.000 0.458 206 P HA -0.152 nan 4.420 nan 0.000 0.216 206 P C 1.697 179.014 177.300 0.027 0.000 1.150 206 P CA 1.347 64.465 63.100 0.030 0.000 0.837 206 P CB 0.229 31.944 31.700 0.026 0.000 0.786 207 M N -1.183 118.437 119.600 0.034 0.000 2.557 207 M HA -0.036 4.445 4.480 0.001 0.000 0.259 207 M C -0.034 176.282 176.300 0.026 0.000 1.086 207 M CA 1.111 56.429 55.300 0.030 0.000 1.096 207 M CB -0.366 32.256 32.600 0.037 0.000 1.424 207 M HN -0.272 nan 8.290 nan 0.000 0.488 208 K N 1.688 122.104 120.400 0.026 0.000 3.069 208 K HA -0.202 4.119 4.320 0.001 0.000 0.267 208 K C -0.644 175.964 176.600 0.014 0.000 1.082 208 K CA 1.240 57.535 56.287 0.014 0.000 0.782 208 K CB -2.001 30.504 32.500 0.008 0.000 1.230 208 K HN 0.746 nan 8.250 nan 0.000 0.488 209 R N -1.993 118.523 120.500 0.026 0.000 2.710 209 R HA 0.602 4.942 4.340 0.001 0.000 0.270 209 R C -0.341 175.987 176.300 0.046 0.000 1.021 209 R CA -1.129 54.987 56.100 0.026 0.000 0.889 209 R CB 0.925 31.241 30.300 0.026 0.000 1.243 209 R HN -0.056 nan 8.270 nan 0.000 0.464 210 M N 1.245 120.871 119.600 0.043 0.000 2.255 210 M HA 0.337 4.818 4.480 0.001 0.000 0.336 210 M C 0.804 177.142 176.300 0.063 0.000 1.135 210 M CA -0.284 55.061 55.300 0.074 0.000 1.145 210 M CB 1.477 34.115 32.600 0.063 0.000 1.473 210 M HN 0.907 nan 8.290 nan 0.000 0.462 211 G N 1.430 110.273 108.800 0.072 0.000 2.616 211 G HA2 0.614 4.575 3.960 0.001 0.000 0.268 211 G HA3 0.614 4.575 3.960 0.001 0.000 0.268 211 G C -0.541 174.378 174.900 0.030 0.000 1.213 211 G CA -0.782 44.347 45.100 0.049 0.000 0.926 211 G HN 0.812 nan 8.290 nan 0.000 0.523 212 I N -2.865 117.713 120.570 0.013 0.000 2.846 212 I HA 0.688 4.858 4.170 0.001 0.000 0.307 212 I C 1.238 177.323 176.117 -0.054 0.000 1.053 212 I CA -0.923 60.370 61.300 -0.012 0.000 1.050 212 I CB 2.019 40.014 38.000 -0.007 0.000 1.239 212 I HN 0.583 nan 8.210 nan 0.000 0.439 213 G N 2.366 111.124 108.800 -0.071 0.000 2.450 213 G HA2 -0.277 3.684 3.960 0.001 0.000 0.220 213 G HA3 -0.277 3.684 3.960 0.001 0.000 0.220 213 G C 1.174 175.957 174.900 -0.195 0.000 1.130 213 G CA 1.171 46.207 45.100 -0.107 0.000 0.760 213 G HN 0.950 nan 8.290 nan 0.000 0.557 214 E N 0.510 120.556 120.200 -0.257 0.000 2.204 214 E HA -0.097 4.254 4.350 0.001 0.000 0.194 214 E C 1.940 178.043 176.600 -0.827 0.000 0.989 214 E CA 1.127 57.193 56.400 -0.558 0.000 0.824 214 E CB -0.340 29.041 29.700 -0.531 0.000 0.756 214 E HN 0.565 nan 8.360 nan 0.000 0.477 215 E N 0.526 120.528 120.200 -0.329 0.000 2.110 215 E HA -0.153 4.198 4.350 0.001 0.000 0.193 215 E C 2.032 178.597 176.600 -0.058 0.000 0.988 215 E CA 0.971 57.331 56.400 -0.067 0.000 0.804 215 E CB 0.011 29.746 29.700 0.059 0.000 0.745 215 E HN 0.348 nan 8.360 nan 0.000 0.458 216 I N 1.151 121.658 120.570 -0.104 0.000 2.252 216 I HA -0.198 3.972 4.170 0.001 0.000 0.245 216 I C 2.505 178.568 176.117 -0.090 0.000 1.102 216 I CA 1.051 62.308 61.300 -0.071 0.000 1.385 216 I CB -1.547 36.407 38.000 -0.077 0.000 1.064 216 I HN 0.009 nan 8.210 nan 0.000 0.414 217 A N 1.041 123.739 122.820 -0.204 0.000 1.908 217 A HA -0.220 4.101 4.320 0.001 0.000 0.218 217 A C 2.131 179.705 177.584 -0.018 0.000 1.181 217 A CA 1.569 53.496 52.037 -0.184 0.000 0.627 217 A CB -0.985 17.842 19.000 -0.289 0.000 0.818 217 A HN 0.290 nan 8.150 nan 0.000 0.445 218 F N 0.247 120.226 119.950 0.049 0.000 2.126 218 F HA -0.100 4.427 4.527 0.001 0.000 0.299 218 F C 2.823 178.661 175.800 0.064 0.000 1.096 218 F CA 0.507 58.537 58.000 0.051 0.000 1.255 218 F CB -1.159 37.847 39.000 0.009 0.000 0.997 218 F HN 0.262 nan 8.300 nan 0.000 0.479 219 A N -0.371 122.589 122.820 0.234 0.000 1.933 219 A HA -0.177 4.144 4.320 0.001 0.000 0.218 219 A C 2.258 179.962 177.584 0.200 0.000 1.175 219 A CA 2.266 54.418 52.037 0.193 0.000 0.628 219 A CB -1.323 17.751 19.000 0.123 0.000 0.814 219 A HN 0.380 nan 8.150 nan 0.000 0.444 220 T N -0.479 114.177 114.554 0.170 0.000 2.821 220 T HA -0.087 4.263 4.350 0.001 0.000 0.267 220 T C 1.868 176.789 174.700 0.368 0.000 1.046 220 T CA 1.369 63.595 62.100 0.210 0.000 1.139 220 T CB -0.402 68.531 68.868 0.109 0.000 0.871 220 T HN 0.153 nan 8.240 nan 0.000 0.454 221 V N 0.909 121.077 119.914 0.422 0.000 2.287 221 V HA -0.207 3.914 4.120 0.001 0.000 0.248 221 V C 2.075 178.283 176.094 0.190 0.000 1.053 221 V CA 1.793 64.296 62.300 0.337 0.000 1.027 221 V CB -0.761 31.266 31.823 0.341 0.000 0.646 221 V HN 0.493 nan 8.190 nan 0.000 0.447 222 Y N 0.722 121.041 120.300 0.032 0.000 2.081 222 Y HA -0.273 4.278 4.550 0.001 0.000 0.280 222 Y C 2.205 178.139 175.900 0.055 0.000 1.163 222 Y CA 1.854 59.909 58.100 -0.075 0.000 1.135 222 Y CB -0.577 37.771 38.460 -0.187 0.000 0.970 222 Y HN 0.165 nan 8.280 nan 0.000 0.498 223 L N -0.281 120.798 121.223 -0.241 0.000 2.083 223 L HA -0.182 4.159 4.340 0.001 0.000 0.209 223 L C 2.723 179.506 176.870 -0.145 0.000 1.083 223 L CA 1.146 55.816 54.840 -0.284 0.000 0.752 223 L CB -0.964 41.044 42.059 -0.084 0.000 0.899 223 L HN 0.348 nan 8.230 nan 0.000 0.433 224 A N -0.196 122.604 122.820 -0.032 0.000 2.066 224 A HA -0.058 4.263 4.320 0.001 0.000 0.218 224 A C 1.548 179.111 177.584 -0.034 0.000 1.157 224 A CA 0.838 52.851 52.037 -0.039 0.000 0.670 224 A CB -0.494 18.442 19.000 -0.107 0.000 0.804 224 A HN 0.484 nan 8.150 nan 0.000 0.453 225 S N -0.024 115.674 115.700 -0.004 0.000 2.600 225 S HA 0.113 4.583 4.470 0.001 0.000 0.265 225 S C 0.332 174.978 174.600 0.077 0.000 1.325 225 S CA 0.024 58.272 58.200 0.080 0.000 1.002 225 S CB 0.575 63.937 63.200 0.270 0.000 0.921 225 S HN 0.337 nan 8.310 nan 0.000 0.554 226 D N 1.136 121.585 120.400 0.081 0.000 2.218 226 D HA -0.085 4.556 4.640 0.001 0.000 0.204 226 D C 1.547 177.883 176.300 0.060 0.000 0.976 226 D CA 1.265 55.304 54.000 0.065 0.000 0.853 226 D CB -0.339 40.464 40.800 0.004 0.000 0.939 226 D HN 0.735 nan 8.370 nan 0.000 0.481 227 E N 0.288 120.538 120.200 0.083 0.000 2.333 227 E HA -0.038 4.312 4.350 0.001 0.000 0.198 227 E C 1.267 177.970 176.600 0.172 0.000 1.007 227 E CA 0.781 57.259 56.400 0.130 0.000 0.845 227 E CB -0.036 29.774 29.700 0.183 0.000 0.766 227 E HN 0.204 nan 8.360 nan 0.000 0.507 228 A N -0.168 122.678 122.820 0.044 0.000 2.545 228 A HA 0.551 4.871 4.320 0.001 0.000 0.277 228 A C 1.727 179.311 177.584 -0.001 0.000 1.301 228 A CA 0.417 52.405 52.037 -0.083 0.000 0.935 228 A CB -0.047 18.638 19.000 -0.525 0.000 1.093 228 A HN 0.196 nan 8.150 nan 0.000 0.519 229 A N -1.022 121.842 122.820 0.072 0.000 2.019 229 A HA -0.116 4.204 4.320 0.001 0.000 0.219 229 A C 1.611 179.292 177.584 0.161 0.000 1.164 229 A CA 1.415 53.515 52.037 0.104 0.000 0.644 229 A CB -0.489 18.582 19.000 0.117 0.000 0.805 229 A HN 0.627 nan 8.150 nan 0.000 0.449 230 Y N -1.074 119.236 120.300 0.018 0.000 2.468 230 Y HA 0.464 5.015 4.550 0.001 0.000 0.268 230 Y C 0.358 176.269 175.900 0.018 0.000 1.177 230 Y CA -0.758 57.354 58.100 0.020 0.000 1.265 230 Y CB 0.148 38.627 38.460 0.031 0.000 1.103 230 Y HN 0.203 nan 8.280 nan 0.000 0.522 231 L N 1.052 122.296 121.223 0.034 0.000 2.276 231 L HA 0.493 4.834 4.340 0.001 0.000 0.286 231 L C -0.573 176.261 176.870 -0.060 0.000 1.024 231 L CA 0.005 54.835 54.840 -0.016 0.000 0.826 231 L CB 0.923 42.998 42.059 0.026 0.000 1.211 231 L HN -0.015 nan 8.230 nan 0.000 0.422 232 T N 2.200 116.699 114.554 -0.091 0.000 2.868 232 T HA 0.565 4.916 4.350 0.001 0.000 0.306 232 T C 0.324 174.974 174.700 -0.082 0.000 1.224 232 T CA 0.296 62.343 62.100 -0.087 0.000 1.012 232 T CB 1.567 70.374 68.868 -0.102 0.000 1.221 232 T HN 0.895 nan 8.240 nan 0.000 0.499 233 G N 2.351 111.107 108.800 -0.074 0.000 2.147 233 G HA2 -0.155 3.806 3.960 0.001 0.000 0.244 233 G HA3 -0.155 3.806 3.960 0.001 0.000 0.244 233 G C -0.100 174.775 174.900 -0.042 0.000 1.005 233 G CA 0.236 45.297 45.100 -0.066 0.000 0.713 233 G HN 0.709 nan 8.290 nan 0.000 0.515 234 Q N -0.259 119.520 119.800 -0.034 0.000 2.297 234 Q HA 0.654 4.995 4.340 0.001 0.000 0.268 234 Q C -0.520 175.462 176.000 -0.030 0.000 1.045 234 Q CA -0.293 55.501 55.803 -0.015 0.000 0.861 234 Q CB 1.952 30.692 28.738 0.003 0.000 1.344 234 Q HN 0.193 nan 8.270 nan 0.000 0.452 235 T N 1.871 116.402 114.554 -0.038 0.000 2.786 235 T HA 0.410 4.760 4.350 0.001 0.000 0.283 235 T C -0.491 174.097 174.700 -0.186 0.000 0.992 235 T CA -0.561 61.449 62.100 -0.150 0.000 0.954 235 T CB 0.488 69.222 68.868 -0.224 0.000 0.934 235 T HN 0.150 nan 8.240 nan 0.000 0.440 236 L N 4.880 126.004 121.223 -0.166 0.000 2.260 236 L HA 0.287 4.628 4.340 0.001 0.000 0.289 236 L C 0.525 177.272 176.870 -0.204 0.000 1.057 236 L CA -0.199 54.587 54.840 -0.090 0.000 0.811 236 L CB 0.130 42.191 42.059 0.003 0.000 1.184 236 L HN 0.595 nan 8.230 nan 0.000 0.429 237 H N 5.711 124.788 119.070 0.012 0.000 2.705 237 H HA 0.356 4.913 4.556 0.001 0.000 0.291 237 H C -0.290 175.038 175.328 -0.000 0.000 1.085 237 H CA -0.168 55.878 56.048 -0.003 0.000 1.357 237 H CB 1.167 30.925 29.762 -0.007 0.000 1.419 237 H HN 0.449 nan 8.280 nan 0.000 0.462 238 I N 4.259 124.866 120.570 0.062 0.000 2.442 238 I HA 0.026 4.197 4.170 0.001 0.000 0.279 238 I C 0.124 176.263 176.117 0.036 0.000 1.081 238 I CA -0.345 60.983 61.300 0.046 0.000 1.197 238 I CB 0.208 38.224 38.000 0.027 0.000 1.394 238 I HN 0.548 nan 8.210 nan 0.000 0.488 239 N N 2.839 121.568 118.700 0.048 0.000 2.217 239 N HA 0.102 4.843 4.740 0.001 0.000 0.239 239 N C 0.791 176.335 175.510 0.056 0.000 1.330 239 N CA 0.047 53.118 53.050 0.036 0.000 0.838 239 N CB 0.631 39.128 38.487 0.016 0.000 1.287 239 N HN 0.527 nan 8.380 nan 0.000 0.498 240 G N -0.056 108.777 108.800 0.056 0.000 2.258 240 G HA2 0.032 3.992 3.960 0.001 0.000 0.274 240 G HA3 0.032 3.992 3.960 0.001 0.000 0.274 240 G C 0.985 175.914 174.900 0.048 0.000 1.021 240 G CA 0.762 45.895 45.100 0.055 0.000 0.798 240 G HN 1.554 nan 8.290 nan 0.000 0.507 241 G N -1.849 106.975 108.800 0.040 0.000 2.159 241 G HA2 -0.221 3.740 3.960 0.001 0.000 0.227 241 G HA3 -0.221 3.740 3.960 0.001 0.000 0.227 241 G C 0.624 175.538 174.900 0.024 0.000 0.986 241 G CA 0.982 46.099 45.100 0.028 0.000 0.651 241 G HN 0.970 nan 8.290 nan 0.000 0.523 242 M N 0.000 119.619 119.600 0.032 0.000 2.572 242 M HA 0.000 4.481 4.480 0.001 0.000 0.227 242 M CA 0.000 55.319 55.300 0.031 0.000 0.988 242 M CB 0.000 32.624 32.600 0.041 0.000 1.302 242 M HN 0.000 nan 8.290 nan 0.000 0.411