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 1qol_1_C DATA FIRST_RESID 29 DATA SEQUENCE MELTLYNGEK KTFYSRPNNH DNAWLNAILQ LFRYVEEPFF DWVYSSPENL DATA SEQUENCE TLEAIKQLED LTGLELHEGG PPALVIWNIK HLLHTGIGTA SRPSEVCVVD DATA SEQUENCE GTDMCLADFH AGIFLKGQEH AVFACVTSNG WYAIDDEDFY PWTPDPSDVL DATA SEQUENCE VFVPYDQEPL NGEWKAKVQR KLK 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 29 M HA 0.000 nan 4.480 nan 0.000 0.227 29 M C 0.000 176.294 176.300 -0.010 0.000 1.140 29 M CA 0.000 55.166 55.300 -0.224 0.000 0.988 29 M CB 0.000 32.192 32.600 -0.680 0.000 1.302 30 E N 2.668 122.872 120.200 0.007 0.000 2.202 30 E HA 0.794 5.147 4.350 0.005 0.000 0.272 30 E C -1.947 174.714 176.600 0.101 0.000 0.951 30 E CA -0.596 55.849 56.400 0.074 0.000 0.813 30 E CB 1.594 31.310 29.700 0.027 0.000 1.151 30 E HN 0.605 nan 8.360 nan 0.000 0.398 31 L N 2.524 123.858 121.223 0.185 0.000 2.431 31 L HA 0.397 4.740 4.340 0.005 0.000 0.266 31 L C -0.650 176.291 176.870 0.118 0.000 0.978 31 L CA -0.990 53.941 54.840 0.151 0.000 0.822 31 L CB 2.387 44.600 42.059 0.258 0.000 1.310 31 L HN 0.520 nan 8.230 nan 0.000 0.409 32 T N 3.903 118.484 114.554 0.045 0.000 2.738 32 T HA 0.502 4.855 4.350 0.005 0.000 0.298 32 T C 0.330 175.057 174.700 0.045 0.000 0.962 32 T CA -0.349 61.766 62.100 0.025 0.000 0.972 32 T CB 0.272 69.136 68.868 -0.006 0.000 0.928 32 T HN 0.255 nan 8.240 nan 0.000 0.474 33 L N 2.355 123.616 121.223 0.062 0.000 2.490 33 L HA 0.288 4.631 4.340 0.005 0.000 0.245 33 L C 2.034 178.949 176.870 0.075 0.000 1.185 33 L CA -0.953 53.958 54.840 0.118 0.000 0.813 33 L CB 0.033 42.180 42.059 0.147 0.000 1.233 33 L HN 0.716 nan 8.230 nan 0.000 0.489 34 Y N 1.050 121.348 120.300 -0.002 0.000 2.446 34 Y HA -0.236 4.317 4.550 0.005 0.000 0.287 34 Y C 1.584 177.476 175.900 -0.015 0.000 1.159 34 Y CA 1.361 59.456 58.100 -0.007 0.000 1.297 34 Y CB -0.853 37.631 38.460 0.039 0.000 0.974 34 Y HN 0.714 nan 8.280 nan 0.000 0.557 35 N N -0.756 117.470 118.700 -0.790 0.000 2.205 35 N HA 0.256 4.999 4.740 0.005 0.000 0.201 35 N C 1.494 176.811 175.510 -0.321 0.000 1.128 35 N CA 0.537 53.136 53.050 -0.752 0.000 0.867 35 N CB 0.392 38.333 38.487 -0.910 0.000 0.996 35 N HN 0.545 nan 8.380 nan 0.000 0.503 36 G N 0.526 109.206 108.800 -0.200 0.000 2.284 36 G HA2 -0.330 3.633 3.960 0.005 0.000 0.230 36 G HA3 -0.330 3.633 3.960 0.005 0.000 0.230 36 G C -0.163 174.685 174.900 -0.086 0.000 1.021 36 G CA 0.141 45.174 45.100 -0.111 0.000 0.619 36 G HN 0.538 nan 8.290 nan 0.000 0.510 37 E N 1.656 121.789 120.200 -0.111 0.000 2.608 37 E HA 0.206 4.559 4.350 0.005 0.000 0.259 37 E C 0.161 176.735 176.600 -0.044 0.000 0.951 37 E CA 0.466 56.817 56.400 -0.082 0.000 0.945 37 E CB 0.191 29.830 29.700 -0.102 0.000 0.916 37 E HN 0.422 nan 8.360 nan 0.000 0.477 38 K N 3.822 124.199 120.400 -0.037 0.000 2.156 38 K HA 0.313 4.636 4.320 0.005 0.000 0.271 38 K C -0.300 176.276 176.600 -0.040 0.000 0.995 38 K CA -0.489 55.789 56.287 -0.015 0.000 0.890 38 K CB 1.533 34.022 32.500 -0.017 0.000 1.073 38 K HN 0.343 nan 8.250 nan 0.000 0.454 39 K N 1.002 121.386 120.400 -0.028 0.000 2.532 39 K HA 0.314 4.637 4.320 0.005 0.000 0.265 39 K C -1.452 175.016 176.600 -0.221 0.000 0.948 39 K CA -0.543 55.646 56.287 -0.163 0.000 0.842 39 K CB 2.104 34.467 32.500 -0.228 0.000 1.392 39 K HN 0.431 nan 8.250 nan 0.000 0.436 40 T N 3.104 117.422 114.554 -0.392 0.000 2.771 40 T HA 0.492 4.845 4.350 0.005 0.000 0.281 40 T C -1.018 173.282 174.700 -0.666 0.000 0.982 40 T CA -0.347 61.540 62.100 -0.354 0.000 0.978 40 T CB 0.068 68.803 68.868 -0.222 0.000 0.930 40 T HN 0.279 nan 8.240 nan 0.000 0.447 41 F N 2.101 122.014 119.950 -0.063 0.000 2.458 41 F HA 0.623 5.153 4.527 0.004 0.000 0.330 41 F C -0.338 175.535 175.800 0.121 0.000 1.082 41 F CA -1.061 56.988 58.000 0.080 0.000 0.995 41 F CB 1.121 40.362 39.000 0.401 0.000 1.170 41 F HN 0.419 nan 8.300 nan 0.000 0.478 42 Y N -0.126 120.508 120.300 0.556 0.000 2.509 42 Y HA 0.494 5.046 4.550 0.005 0.000 0.341 42 Y C 0.211 176.299 175.900 0.313 0.000 1.038 42 Y CA -1.955 56.278 58.100 0.222 0.000 1.089 42 Y CB 1.428 39.764 38.460 -0.207 0.000 1.241 42 Y HN 0.441 nan 8.280 nan 0.000 0.468 43 S N 2.667 118.631 115.700 0.441 0.000 2.603 43 S HA 0.627 5.100 4.470 0.005 0.000 0.268 43 S C -0.333 174.362 174.600 0.158 0.000 1.317 43 S CA -0.844 57.569 58.200 0.355 0.000 1.012 43 S CB 0.554 63.941 63.200 0.312 0.000 0.926 43 S HN 0.478 nan 8.310 nan 0.000 0.539 44 R N 1.519 122.084 120.500 0.110 0.000 2.510 44 R HA 0.349 4.692 4.340 0.005 0.000 0.287 44 R C -3.019 173.294 176.300 0.021 0.000 1.084 44 R CA -1.760 54.361 56.100 0.035 0.000 0.934 44 R CB 2.118 32.429 30.300 0.018 0.000 1.201 44 R HN 0.431 nan 8.270 nan 0.000 0.431 45 P HA -0.013 nan 4.420 nan 0.000 0.272 45 P C -0.938 176.372 177.300 0.016 0.000 1.230 45 P CA -0.261 62.852 63.100 0.021 0.000 0.788 45 P CB 0.786 32.501 31.700 0.025 0.000 0.949 46 N N 2.081 120.799 118.700 0.030 0.000 2.576 46 N HA 0.143 4.886 4.740 0.005 0.000 0.269 46 N C -0.497 175.043 175.510 0.049 0.000 1.058 46 N CA -0.274 52.801 53.050 0.041 0.000 0.860 46 N CB -0.094 38.416 38.487 0.037 0.000 1.249 46 N HN 0.228 nan 8.380 nan 0.000 0.525 47 N N 1.575 120.336 118.700 0.102 0.000 2.194 47 N HA 0.099 4.842 4.740 0.005 0.000 0.231 47 N C -0.669 174.695 175.510 -0.243 0.000 1.247 47 N CA 0.158 53.192 53.050 -0.028 0.000 0.884 47 N CB 0.481 38.948 38.487 -0.033 0.000 1.146 47 N HN 0.545 nan 8.380 nan 0.000 0.516 48 H N -0.088 119.008 119.070 0.043 0.000 3.038 48 H HA 0.181 4.740 4.556 0.005 0.000 0.238 48 H C -0.845 174.551 175.328 0.113 0.000 1.246 48 H CA -0.571 55.529 56.048 0.085 0.000 0.966 48 H CB 0.179 29.994 29.762 0.089 0.000 2.394 48 H HN -0.067 nan 8.280 nan 0.000 0.633 49 D N 1.557 122.064 120.400 0.178 0.000 2.723 49 D HA -0.171 4.472 4.640 0.005 0.000 0.236 49 D C -0.206 176.248 176.300 0.256 0.000 1.138 49 D CA 0.641 54.764 54.000 0.204 0.000 0.676 49 D CB -1.055 39.875 40.800 0.217 0.000 1.069 49 D HN 0.721 nan 8.370 nan 0.000 0.430 50 N N -0.822 117.925 118.700 0.078 0.000 2.327 50 N HA 0.240 4.983 4.740 0.005 0.000 0.231 50 N C 1.416 176.763 175.510 -0.271 0.000 1.130 50 N CA 0.283 53.184 53.050 -0.248 0.000 0.845 50 N CB 0.474 38.780 38.487 -0.300 0.000 1.073 50 N HN 0.266 nan 8.380 nan 0.000 0.496 51 A N 1.430 124.255 122.820 0.007 0.000 1.933 51 A HA -0.129 4.194 4.320 0.005 0.000 0.218 51 A C 1.914 179.462 177.584 -0.060 0.000 1.175 51 A CA 0.975 53.034 52.037 0.036 0.000 0.628 51 A CB -1.004 18.140 19.000 0.241 0.000 0.814 51 A HN 0.679 nan 8.150 nan 0.000 0.444 52 W N -0.535 120.723 121.300 -0.070 0.000 2.363 52 W HA -0.096 4.568 4.660 0.006 0.000 0.296 52 W C 1.445 177.880 176.519 -0.141 0.000 1.212 52 W CA 1.102 58.383 57.345 -0.106 0.000 1.260 52 W CB -1.299 28.114 29.460 -0.079 0.000 1.131 52 W HN 0.282 nan 8.180 nan 0.000 0.530 53 L N 2.857 123.423 121.223 -1.096 0.000 2.005 53 L HA -0.159 4.183 4.340 0.005 0.000 0.207 53 L C 2.374 178.890 176.870 -0.591 0.000 1.072 53 L CA 2.165 56.345 54.840 -1.101 0.000 0.744 53 L CB -1.311 39.917 42.059 -1.384 0.000 0.895 53 L HN -0.148 nan 8.230 nan 0.000 0.433 54 N N 0.283 118.723 118.700 -0.433 0.000 2.137 54 N HA -0.212 4.531 4.740 0.005 0.000 0.190 54 N C 1.801 177.172 175.510 -0.232 0.000 1.017 54 N CA 1.633 54.530 53.050 -0.254 0.000 0.859 54 N CB -0.551 37.844 38.487 -0.153 0.000 1.002 54 N HN 0.527 nan 8.380 nan 0.000 0.428 55 A N 1.748 124.435 122.820 -0.221 0.000 1.858 55 A HA -0.079 4.244 4.320 0.005 0.000 0.216 55 A C 2.374 179.778 177.584 -0.300 0.000 1.190 55 A CA 1.005 52.935 52.037 -0.177 0.000 0.617 55 A CB -0.732 18.198 19.000 -0.116 0.000 0.827 55 A HN 0.202 nan 8.150 nan 0.000 0.443 56 I N -0.348 120.007 120.570 -0.358 0.000 2.264 56 I HA -0.270 3.903 4.170 0.005 0.000 0.248 56 I C 2.428 178.059 176.117 -0.810 0.000 1.111 56 I CA 1.104 62.059 61.300 -0.576 0.000 1.382 56 I CB -0.388 37.330 38.000 -0.470 0.000 1.060 56 I HN 0.318 nan 8.210 nan 0.000 0.418 57 L N 0.028 120.934 121.223 -0.528 0.000 2.017 57 L HA -0.247 4.096 4.340 0.005 0.000 0.208 57 L C 2.840 179.463 176.870 -0.410 0.000 1.073 57 L CA 1.322 55.952 54.840 -0.350 0.000 0.745 57 L CB -0.604 41.353 42.059 -0.171 0.000 0.894 57 L HN 0.327 nan 8.230 nan 0.000 0.432 58 Q N -0.461 119.082 119.800 -0.427 0.000 2.084 58 Q HA -0.228 4.115 4.340 0.005 0.000 0.202 58 Q C 2.230 177.730 176.000 -0.833 0.000 0.978 58 Q CA 1.413 56.876 55.803 -0.567 0.000 0.844 58 Q CB -0.650 27.729 28.738 -0.598 0.000 0.898 58 Q HN 0.358 nan 8.270 nan 0.000 0.426 59 L N 0.267 120.994 121.223 -0.826 0.000 2.042 59 L HA -0.150 4.193 4.340 0.005 0.000 0.210 59 L C 2.018 178.807 176.870 -0.135 0.000 1.076 59 L CA 1.634 56.139 54.840 -0.558 0.000 0.749 59 L CB -0.737 41.098 42.059 -0.372 0.000 0.893 59 L HN -0.017 nan 8.230 nan 0.000 0.432 60 F N 0.226 120.063 119.950 -0.187 0.000 2.051 60 F HA -0.181 4.348 4.527 0.004 0.000 0.296 60 F C 2.820 178.545 175.800 -0.125 0.000 1.122 60 F CA 1.634 59.572 58.000 -0.103 0.000 1.201 60 F CB -1.346 37.613 39.000 -0.069 0.000 0.978 60 F HN 0.131 nan 8.300 nan 0.000 0.472 61 R N -0.305 120.145 120.500 -0.082 0.000 2.140 61 R HA -0.280 4.063 4.340 0.005 0.000 0.250 61 R C 2.162 178.447 176.300 -0.026 0.000 1.150 61 R CA 1.770 57.735 56.100 -0.224 0.000 0.966 61 R CB -1.503 28.486 30.300 -0.517 0.000 0.869 61 R HN 0.377 nan 8.270 nan 0.000 0.445 62 Y N 0.011 120.325 120.300 0.024 0.000 2.133 62 Y HA -0.141 4.412 4.550 0.005 0.000 0.287 62 Y C 1.827 177.815 175.900 0.147 0.000 1.134 62 Y CA 2.010 60.228 58.100 0.197 0.000 1.133 62 Y CB -0.105 38.512 38.460 0.263 0.000 0.987 62 Y HN 0.029 nan 8.280 nan 0.000 0.502 63 V N -1.360 118.766 119.914 0.353 0.000 3.636 63 V HA 0.109 4.232 4.120 0.005 0.000 0.279 63 V C 0.121 176.295 176.094 0.133 0.000 1.263 63 V CA 0.690 63.141 62.300 0.253 0.000 1.182 63 V CB -1.290 30.688 31.823 0.259 0.000 0.955 63 V HN 0.489 nan 8.190 nan 0.000 0.443 64 E N 0.183 120.428 120.200 0.074 0.000 2.252 64 E HA -0.248 4.105 4.350 0.005 0.000 0.218 64 E C 0.145 176.759 176.600 0.024 0.000 1.253 64 E CA 0.951 57.363 56.400 0.020 0.000 0.705 64 E CB -0.952 28.751 29.700 0.004 0.000 1.172 64 E HN 0.915 nan 8.360 nan 0.000 0.369 65 E N 1.451 121.659 120.200 0.012 0.000 2.174 65 E HA 0.212 4.565 4.350 0.005 0.000 0.282 65 E C -1.652 174.872 176.600 -0.127 0.000 0.992 65 E CA -2.110 54.230 56.400 -0.099 0.000 0.803 65 E CB 0.890 30.391 29.700 -0.332 0.000 1.090 65 E HN -0.079 nan 8.360 nan 0.000 0.396 66 P HA 0.031 nan 4.420 nan 0.000 0.255 66 P C 0.874 178.135 177.300 -0.066 0.000 1.248 66 P CA -0.087 62.977 63.100 -0.060 0.000 0.807 66 P CB 0.030 31.696 31.700 -0.056 0.000 1.150 67 F N 1.125 120.872 119.950 -0.339 0.000 2.045 67 F HA -0.226 4.303 4.527 0.004 0.000 0.297 67 F C 1.428 177.041 175.800 -0.310 0.000 1.114 67 F CA 2.048 59.812 58.000 -0.393 0.000 1.207 67 F CB -0.568 38.014 39.000 -0.697 0.000 0.964 67 F HN -0.215 nan 8.300 nan 0.000 0.486 68 F N 0.599 120.538 119.950 -0.018 0.000 2.664 68 F HA 0.108 4.638 4.527 0.004 0.000 0.303 68 F C 1.818 177.402 175.800 -0.361 0.000 1.092 68 F CA 0.121 57.929 58.000 -0.320 0.000 1.305 68 F CB -0.677 38.294 39.000 -0.047 0.000 1.054 68 F HN 0.078 nan 8.300 nan 0.000 0.565 69 D N 0.432 120.857 120.400 0.042 0.000 2.280 69 D HA -0.289 4.354 4.640 0.005 0.000 0.206 69 D C 1.828 178.216 176.300 0.146 0.000 0.988 69 D CA 1.370 55.444 54.000 0.123 0.000 0.886 69 D CB -1.022 39.846 40.800 0.114 0.000 0.914 69 D HN 0.592 nan 8.370 nan 0.000 0.473 70 W N 0.387 121.753 121.300 0.111 0.000 2.800 70 W HA 0.156 4.818 4.660 0.004 0.000 0.249 70 W C 0.986 177.570 176.519 0.107 0.000 1.294 70 W CA -0.016 57.374 57.345 0.075 0.000 1.402 70 W CB -0.686 28.783 29.460 0.015 0.000 1.126 70 W HN -0.107 nan 8.180 nan 0.000 0.652 71 V N 0.637 120.343 119.914 -0.345 0.000 2.484 71 V HA -0.201 3.922 4.120 0.005 0.000 0.236 71 V C 2.166 178.224 176.094 -0.061 0.000 1.062 71 V CA 1.432 63.529 62.300 -0.337 0.000 1.081 71 V CB -1.343 30.108 31.823 -0.622 0.000 0.751 71 V HN -0.015 nan 8.190 nan 0.000 0.484 72 Y N 1.840 122.075 120.300 -0.109 0.000 2.181 72 Y HA -0.239 4.313 4.550 0.005 0.000 0.284 72 Y C 2.012 177.972 175.900 0.100 0.000 1.179 72 Y CA 1.925 60.032 58.100 0.011 0.000 1.179 72 Y CB -0.044 38.449 38.460 0.055 0.000 0.973 72 Y HN 0.252 nan 8.280 nan 0.000 0.519 73 S N -0.336 115.450 115.700 0.143 0.000 2.519 73 S HA 0.182 4.655 4.470 0.005 0.000 0.245 73 S C -0.023 174.589 174.600 0.021 0.000 1.152 73 S CA 0.032 58.287 58.200 0.091 0.000 1.175 73 S CB -0.054 63.261 63.200 0.192 0.000 0.829 73 S HN 0.306 nan 8.310 nan 0.000 0.472 74 S N 2.261 117.947 115.700 -0.023 0.000 2.503 74 S HA 0.514 4.987 4.470 0.005 0.000 0.301 74 S C -1.675 172.890 174.600 -0.058 0.000 1.087 74 S CA -1.573 56.624 58.200 -0.006 0.000 1.042 74 S CB 1.376 64.609 63.200 0.055 0.000 1.043 74 S HN 0.145 nan 8.310 nan 0.000 0.489 75 P HA 0.113 nan 4.420 nan 0.000 0.225 75 P C -0.345 176.935 177.300 -0.033 0.000 1.156 75 P CA 0.607 63.674 63.100 -0.056 0.000 0.787 75 P CB 0.133 31.809 31.700 -0.040 0.000 0.802 76 E N 1.276 121.471 120.200 -0.007 0.000 2.266 76 E HA 0.122 4.475 4.350 0.005 0.000 0.277 76 E C 0.178 176.778 176.600 0.001 0.000 1.018 76 E CA -0.604 55.801 56.400 0.007 0.000 0.840 76 E CB 0.538 30.259 29.700 0.033 0.000 1.082 76 E HN 0.024 nan 8.360 nan 0.000 0.395 77 N N 3.502 122.200 118.700 -0.003 0.000 2.402 77 N HA 0.019 4.762 4.740 0.005 0.000 0.259 77 N C -0.073 175.430 175.510 -0.012 0.000 1.167 77 N CA 0.025 53.063 53.050 -0.019 0.000 0.949 77 N CB 0.182 38.664 38.487 -0.009 0.000 1.212 77 N HN 0.393 nan 8.380 nan 0.000 0.493 78 L N 2.790 124.001 121.223 -0.020 0.000 2.685 78 L HA 0.107 4.450 4.340 0.005 0.000 0.233 78 L C 1.764 178.595 176.870 -0.065 0.000 1.173 78 L CA -0.153 54.697 54.840 0.016 0.000 0.961 78 L CB -0.235 41.890 42.059 0.110 0.000 1.217 78 L HN 0.395 nan 8.230 nan 0.000 0.478 79 T N 0.696 115.170 114.554 -0.132 0.000 2.624 79 T HA -0.258 4.095 4.350 0.005 0.000 0.268 79 T C 1.951 176.519 174.700 -0.221 0.000 1.041 79 T CA 1.708 63.677 62.100 -0.218 0.000 1.159 79 T CB -0.190 68.543 68.868 -0.224 0.000 0.863 79 T HN 0.282 nan 8.240 nan 0.000 0.434 80 L N 0.289 121.377 121.223 -0.225 0.000 2.012 80 L HA -0.158 4.185 4.340 0.005 0.000 0.210 80 L C 2.752 179.616 176.870 -0.011 0.000 1.073 80 L CA 1.418 56.160 54.840 -0.163 0.000 0.748 80 L CB -0.473 41.502 42.059 -0.139 0.000 0.891 80 L HN 0.233 nan 8.230 nan 0.000 0.431 81 E N 0.150 120.377 120.200 0.046 0.000 2.021 81 E HA -0.270 4.083 4.350 0.005 0.000 0.200 81 E C 2.219 178.936 176.600 0.194 0.000 1.015 81 E CA 1.575 58.067 56.400 0.153 0.000 0.824 81 E CB -0.603 29.243 29.700 0.244 0.000 0.762 81 E HN 0.456 nan 8.360 nan 0.000 0.454 82 A N 0.949 123.858 122.820 0.147 0.000 1.929 82 A HA -0.307 4.016 4.320 0.005 0.000 0.221 82 A C 2.313 180.004 177.584 0.179 0.000 1.211 82 A CA 2.161 54.289 52.037 0.152 0.000 0.657 82 A CB -1.104 17.738 19.000 -0.262 0.000 0.827 82 A HN 0.270 nan 8.150 nan 0.000 0.462 83 I N -0.665 119.928 120.570 0.039 0.000 2.099 83 I HA -0.322 3.851 4.170 0.005 0.000 0.239 83 I C 2.540 178.751 176.117 0.156 0.000 1.066 83 I CA 2.082 63.431 61.300 0.082 0.000 1.324 83 I CB -0.539 37.410 38.000 -0.086 0.000 1.037 83 I HN 0.500 nan 8.210 nan 0.000 0.401 84 K N 1.264 121.752 120.400 0.146 0.000 2.032 84 K HA -0.348 3.975 4.320 0.005 0.000 0.218 84 K C 2.270 178.989 176.600 0.198 0.000 1.054 84 K CA 2.481 58.876 56.287 0.181 0.000 0.941 84 K CB -0.399 32.206 32.500 0.175 0.000 0.720 84 K HN 0.325 nan 8.250 nan 0.000 0.449 85 Q N 0.399 120.339 119.800 0.233 0.000 2.135 85 Q HA -0.183 4.160 4.340 0.005 0.000 0.204 85 Q C 2.200 178.360 176.000 0.266 0.000 0.981 85 Q CA 1.664 57.614 55.803 0.244 0.000 0.856 85 Q CB -0.093 28.825 28.738 0.301 0.000 0.902 85 Q HN 0.513 nan 8.270 nan 0.000 0.425 86 L N 0.249 121.669 121.223 0.329 0.000 2.141 86 L HA -0.160 4.183 4.340 0.005 0.000 0.209 86 L C 2.211 179.221 176.870 0.233 0.000 1.094 86 L CA 1.230 56.275 54.840 0.341 0.000 0.763 86 L CB -0.193 42.142 42.059 0.461 0.000 0.908 86 L HN 0.318 nan 8.230 nan 0.000 0.437 87 E N -0.360 119.958 120.200 0.197 0.000 2.076 87 E HA -0.182 4.170 4.350 0.005 0.000 0.190 87 E C 1.637 178.316 176.600 0.132 0.000 0.979 87 E CA 0.920 57.405 56.400 0.142 0.000 0.807 87 E CB -0.041 29.743 29.700 0.141 0.000 0.761 87 E HN 0.423 nan 8.360 nan 0.000 0.454 88 D N 1.212 121.698 120.400 0.144 0.000 2.116 88 D HA -0.171 4.472 4.640 0.005 0.000 0.193 88 D C 2.053 178.426 176.300 0.122 0.000 0.998 88 D CA 1.035 55.109 54.000 0.123 0.000 0.836 88 D CB -0.199 40.676 40.800 0.125 0.000 0.951 88 D HN 0.130 nan 8.370 nan 0.000 0.449 89 L N 0.180 121.491 121.223 0.146 0.000 2.217 89 L HA -0.081 4.262 4.340 0.005 0.000 0.211 89 L C 2.227 179.177 176.870 0.133 0.000 1.107 89 L CA 1.383 56.310 54.840 0.146 0.000 0.783 89 L CB -0.086 42.074 42.059 0.169 0.000 0.919 89 L HN 0.174 nan 8.230 nan 0.000 0.442 90 T N -5.890 108.738 114.554 0.123 0.000 2.985 90 T HA 0.239 4.592 4.350 0.005 0.000 0.254 90 T C 1.430 176.178 174.700 0.080 0.000 1.021 90 T CA 0.432 62.594 62.100 0.103 0.000 0.957 90 T CB 0.858 69.782 68.868 0.095 0.000 1.047 90 T HN 0.307 nan 8.240 nan 0.000 0.511 91 G N 1.776 110.622 108.800 0.077 0.000 2.155 91 G HA2 -0.219 3.744 3.960 0.005 0.000 0.257 91 G HA3 -0.219 3.744 3.960 0.005 0.000 0.257 91 G C -0.063 174.861 174.900 0.041 0.000 0.983 91 G CA 0.476 45.612 45.100 0.059 0.000 0.676 91 G HN 0.660 nan 8.290 nan 0.000 0.528 92 L N 0.073 121.315 121.223 0.032 0.000 2.325 92 L HA 0.447 4.790 4.340 0.005 0.000 0.279 92 L C 0.607 177.469 176.870 -0.012 0.000 1.054 92 L CA -0.736 54.098 54.840 -0.010 0.000 0.804 92 L CB 1.202 43.230 42.059 -0.052 0.000 1.200 92 L HN 0.097 nan 8.230 nan 0.000 0.436 93 E N 3.857 124.040 120.200 -0.027 0.000 1.932 93 E HA 0.146 4.499 4.350 0.005 0.000 0.275 93 E C -0.349 176.216 176.600 -0.059 0.000 1.159 93 E CA -0.067 56.334 56.400 0.001 0.000 0.905 93 E CB 0.362 30.068 29.700 0.010 0.000 1.059 93 E HN 0.433 nan 8.360 nan 0.000 0.400 94 L N 2.532 123.728 121.223 -0.045 0.000 3.036 94 L HA 0.230 4.573 4.340 0.005 0.000 0.237 94 L C 0.574 177.434 176.870 -0.017 0.000 1.319 94 L CA -0.067 54.689 54.840 -0.139 0.000 1.112 94 L CB -0.405 41.601 42.059 -0.088 0.000 1.480 94 L HN 0.521 nan 8.230 nan 0.000 0.506 95 H N -0.153 118.971 119.070 0.090 0.000 2.672 95 H HA 0.247 4.805 4.556 0.004 0.000 0.277 95 H C 0.095 175.507 175.328 0.140 0.000 1.074 95 H CA 0.140 56.278 56.048 0.149 0.000 1.173 95 H CB 0.827 30.659 29.762 0.117 0.000 1.558 95 H HN 0.325 nan 8.280 nan 0.000 0.539 96 E N 0.224 120.529 120.200 0.176 0.000 4.172 96 E HA 0.299 4.652 4.350 0.005 0.000 0.197 96 E C -0.233 176.413 176.600 0.078 0.000 1.088 96 E CA -0.021 56.461 56.400 0.137 0.000 1.461 96 E CB 1.159 30.916 29.700 0.096 0.000 1.180 96 E HN 0.482 nan 8.360 nan 0.000 0.419 97 G N -0.083 108.782 108.800 0.109 0.000 2.661 97 G HA2 0.206 4.169 3.960 0.005 0.000 0.685 97 G HA3 0.206 4.169 3.960 0.005 0.000 0.685 97 G C -0.212 174.353 174.900 -0.559 0.000 1.298 97 G CA -0.617 44.471 45.100 -0.021 0.000 0.855 97 G HN 0.563 nan 8.290 nan 0.000 0.560 98 G N -0.586 107.720 108.800 -0.824 0.000 2.596 98 G HA2 0.797 4.760 3.960 0.005 0.000 0.296 98 G HA3 0.797 4.760 3.960 0.005 0.000 0.296 98 G C -3.191 171.393 174.900 -0.527 0.000 1.513 98 G CA 0.111 44.665 45.100 -0.909 0.000 0.851 98 G HN 0.879 nan 8.290 nan 0.000 0.548 99 P HA 0.221 nan 4.420 nan 0.000 0.275 99 P C -1.856 175.384 177.300 -0.100 0.000 1.276 99 P CA -1.203 61.806 63.100 -0.153 0.000 0.782 99 P CB 1.846 33.473 31.700 -0.122 0.000 0.851 100 P HA -0.171 nan 4.420 nan 0.000 0.222 100 P C 1.268 178.582 177.300 0.025 0.000 1.147 100 P CA 1.096 64.242 63.100 0.075 0.000 0.790 100 P CB 0.012 31.752 31.700 0.066 0.000 0.780 101 A N 0.479 123.294 122.820 -0.008 0.000 1.873 101 A HA -0.108 4.215 4.320 0.005 0.000 0.215 101 A C 2.426 180.043 177.584 0.055 0.000 1.186 101 A CA 1.306 53.344 52.037 0.002 0.000 0.616 101 A CB -1.451 17.530 19.000 -0.032 0.000 0.823 101 A HN 0.141 nan 8.150 nan 0.000 0.442 102 L N -0.624 120.615 121.223 0.026 0.000 2.072 102 L HA -0.105 4.238 4.340 0.005 0.000 0.205 102 L C 2.500 179.433 176.870 0.105 0.000 1.079 102 L CA 0.747 55.629 54.840 0.069 0.000 0.752 102 L CB -0.686 41.373 42.059 -0.000 0.000 0.906 102 L HN 0.214 nan 8.230 nan 0.000 0.436 103 V N 0.605 120.555 119.914 0.060 0.000 2.252 103 V HA -0.330 3.793 4.120 0.005 0.000 0.249 103 V C 2.351 178.512 176.094 0.112 0.000 1.056 103 V CA 2.046 64.407 62.300 0.102 0.000 1.022 103 V CB -0.384 31.555 31.823 0.193 0.000 0.641 103 V HN 0.341 nan 8.190 nan 0.000 0.445 104 I N -1.071 119.564 120.570 0.107 0.000 2.493 104 I HA -0.256 3.917 4.170 0.005 0.000 0.254 104 I C 2.300 178.468 176.117 0.085 0.000 1.160 104 I CA 1.605 62.953 61.300 0.080 0.000 1.445 104 I CB -0.324 37.713 38.000 0.061 0.000 1.086 104 I HN 0.567 nan 8.210 nan 0.000 0.433 105 W N 2.112 123.399 121.300 -0.022 0.000 2.518 105 W HA -0.048 4.613 4.660 0.002 0.000 0.273 105 W C 1.464 177.988 176.519 0.007 0.000 1.247 105 W CA 0.819 58.155 57.345 -0.014 0.000 1.288 105 W CB -0.087 29.365 29.460 -0.012 0.000 1.107 105 W HN 0.163 nan 8.180 nan 0.000 0.586 106 N N 1.462 120.238 118.700 0.127 0.000 2.314 106 N HA 0.021 4.764 4.740 0.005 0.000 0.200 106 N C 0.746 176.254 175.510 -0.004 0.000 1.135 106 N CA 0.925 54.028 53.050 0.089 0.000 0.835 106 N CB 0.208 38.786 38.487 0.151 0.000 0.989 106 N HN 0.385 nan 8.380 nan 0.000 0.478 107 I N -3.265 117.206 120.570 -0.164 0.000 3.171 107 I HA 0.289 4.462 4.170 0.005 0.000 0.329 107 I C 0.723 176.541 176.117 -0.499 0.000 1.522 107 I CA -0.498 60.562 61.300 -0.400 0.000 0.948 107 I CB 0.474 38.253 38.000 -0.368 0.000 1.527 107 I HN -0.314 nan 8.210 nan 0.000 0.547 108 K N 1.274 121.444 120.400 -0.383 0.000 2.031 108 K HA -0.097 4.226 4.320 0.005 0.000 0.205 108 K C 1.982 178.435 176.600 -0.245 0.000 1.049 108 K CA 1.891 57.987 56.287 -0.318 0.000 0.939 108 K CB -0.284 31.991 32.500 -0.375 0.000 0.717 108 K HN 0.641 nan 8.250 nan 0.000 0.438 109 H N 1.222 120.188 119.070 -0.173 0.000 2.387 109 H HA -0.113 4.446 4.556 0.006 0.000 0.299 109 H C 1.935 177.226 175.328 -0.062 0.000 1.099 109 H CA 1.113 57.096 56.048 -0.108 0.000 1.315 109 H CB -0.845 28.869 29.762 -0.078 0.000 1.380 109 H HN 0.161 nan 8.280 nan 0.000 0.513 110 L N 0.768 121.781 121.223 -0.350 0.000 2.376 110 L HA 0.084 4.427 4.340 0.005 0.000 0.219 110 L C 1.107 177.957 176.870 -0.033 0.000 1.133 110 L CA 0.178 54.952 54.840 -0.110 0.000 0.816 110 L CB -0.323 41.711 42.059 -0.041 0.000 0.933 110 L HN 0.024 nan 8.230 nan 0.000 0.449 111 L N -0.983 120.134 121.223 -0.176 0.000 2.439 111 L HA 0.089 4.432 4.340 0.005 0.000 0.261 111 L C 1.448 178.285 176.870 -0.055 0.000 1.153 111 L CA -0.280 54.470 54.840 -0.150 0.000 0.808 111 L CB 0.630 42.529 42.059 -0.266 0.000 1.126 111 L HN -0.028 nan 8.230 nan 0.000 0.460 112 H N -0.106 118.899 119.070 -0.109 0.000 2.431 112 H HA 0.056 4.615 4.556 0.005 0.000 0.295 112 H C 0.422 175.709 175.328 -0.069 0.000 1.038 112 H CA 0.502 56.506 56.048 -0.074 0.000 1.360 112 H CB 0.412 30.135 29.762 -0.065 0.000 1.433 112 H HN 0.578 nan 8.280 nan 0.000 0.536 113 T N 0.633 115.073 114.554 -0.190 0.000 2.919 113 T HA 0.371 4.724 4.350 0.005 0.000 0.302 113 T C 0.446 175.036 174.700 -0.184 0.000 1.031 113 T CA 0.187 62.171 62.100 -0.193 0.000 1.127 113 T CB 1.026 69.859 68.868 -0.058 0.000 0.952 113 T HN 0.537 nan 8.240 nan 0.000 0.540 114 G N 3.008 111.707 108.800 -0.167 0.000 2.320 114 G HA2 0.507 4.469 3.960 0.005 0.000 0.300 114 G HA3 0.507 4.469 3.960 0.005 0.000 0.300 114 G C -0.235 174.600 174.900 -0.108 0.000 1.126 114 G CA -0.573 44.445 45.100 -0.138 0.000 0.896 114 G HN 0.562 nan 8.290 nan 0.000 0.436 115 I N 1.819 122.311 120.570 -0.130 0.000 2.440 115 I HA 0.666 4.839 4.170 0.005 0.000 0.294 115 I C 0.897 176.982 176.117 -0.053 0.000 0.995 115 I CA -0.424 60.814 61.300 -0.103 0.000 1.306 115 I CB 0.966 38.881 38.000 -0.142 0.000 1.407 115 I HN 0.571 nan 8.210 nan 0.000 0.501 116 G N 3.612 112.443 108.800 0.051 0.000 2.815 116 G HA2 0.693 4.656 3.960 0.005 0.000 0.305 116 G HA3 0.693 4.656 3.960 0.005 0.000 0.305 116 G C -0.998 174.040 174.900 0.229 0.000 1.277 116 G CA -0.254 44.948 45.100 0.169 0.000 0.795 116 G HN 0.651 nan 8.290 nan 0.000 0.528 117 T N -3.041 111.623 114.554 0.184 0.000 2.930 117 T HA 0.608 4.961 4.350 0.005 0.000 0.290 117 T C 1.340 176.133 174.700 0.156 0.000 1.052 117 T CA 0.536 62.724 62.100 0.147 0.000 1.017 117 T CB 1.671 70.630 68.868 0.153 0.000 1.137 117 T HN 1.401 nan 8.240 nan 0.000 0.511 118 A N 0.808 123.768 122.820 0.235 0.000 2.178 118 A HA 0.084 4.407 4.320 0.005 0.000 0.218 118 A C 2.125 179.848 177.584 0.231 0.000 1.157 118 A CA 1.387 53.626 52.037 0.336 0.000 0.689 118 A CB -1.022 18.210 19.000 0.387 0.000 0.787 118 A HN 0.755 nan 8.150 nan 0.000 0.465 119 S N -1.354 114.464 115.700 0.197 0.000 2.512 119 S HA 0.174 4.647 4.470 0.005 0.000 0.216 119 S C 0.657 175.290 174.600 0.056 0.000 1.006 119 S CA -0.109 58.164 58.200 0.121 0.000 0.915 119 S CB 0.263 63.553 63.200 0.150 0.000 0.824 119 S HN 0.627 nan 8.310 nan 0.000 0.497 120 R N 1.244 121.799 120.500 0.091 0.000 2.638 120 R HA 0.284 4.627 4.340 0.005 0.000 0.261 120 R C -3.170 173.179 176.300 0.081 0.000 1.515 120 R CA -1.399 54.741 56.100 0.066 0.000 1.623 120 R CB 0.822 31.167 30.300 0.075 0.000 1.347 120 R HN 0.122 nan 8.270 nan 0.000 0.705 121 P HA -0.039 nan 4.420 nan 0.000 0.271 121 P C -0.008 177.313 177.300 0.035 0.000 1.228 121 P CA 0.184 63.322 63.100 0.064 0.000 0.797 121 P CB 0.783 32.539 31.700 0.093 0.000 0.914 122 S N -1.360 114.341 115.700 0.002 0.000 2.815 122 S HA 0.195 4.668 4.470 0.005 0.000 0.296 122 S C 0.798 175.382 174.600 -0.026 0.000 1.224 122 S CA -0.357 57.837 58.200 -0.009 0.000 0.938 122 S CB 0.032 63.219 63.200 -0.021 0.000 1.285 122 S HN 0.365 nan 8.310 nan 0.000 0.549 123 E N 0.637 120.818 120.200 -0.030 0.000 2.007 123 E HA -0.054 4.299 4.350 0.005 0.000 0.203 123 E C 0.180 176.747 176.600 -0.055 0.000 1.020 123 E CA 2.133 58.522 56.400 -0.018 0.000 0.845 123 E CB -0.326 29.360 29.700 -0.024 0.000 0.779 123 E HN 0.369 nan 8.360 nan 0.000 0.466 124 V N 0.297 120.159 119.914 -0.085 0.000 2.435 124 V HA 0.277 4.400 4.120 0.005 0.000 0.290 124 V C -0.262 175.688 176.094 -0.239 0.000 1.030 124 V CA -0.800 61.405 62.300 -0.158 0.000 0.881 124 V CB 1.395 33.170 31.823 -0.079 0.000 0.983 124 V HN 0.420 nan 8.190 nan 0.000 0.445 125 C N 4.330 123.323 119.300 -0.510 0.000 2.493 125 C HA 0.792 5.255 4.460 0.005 0.000 0.326 125 C C 0.095 174.769 174.990 -0.527 0.000 1.200 125 C CA -0.736 57.935 59.018 -0.579 0.000 1.739 125 C CB 1.514 28.672 27.740 -0.970 0.000 2.300 125 C HN 0.785 nan 8.230 nan 0.000 0.500 126 V N 1.672 121.493 119.914 -0.155 0.000 2.667 126 V HA 0.801 4.924 4.120 0.005 0.000 0.308 126 V C 0.080 176.221 176.094 0.077 0.000 1.048 126 V CA -0.639 61.647 62.300 -0.024 0.000 0.928 126 V CB 1.001 32.852 31.823 0.047 0.000 1.004 126 V HN 0.803 nan 8.190 nan 0.000 0.444 127 V N 1.129 121.113 119.914 0.117 0.000 2.963 127 V HA 0.500 4.623 4.120 0.005 0.000 0.306 127 V C 0.437 176.550 176.094 0.032 0.000 1.077 127 V CA 0.509 62.893 62.300 0.140 0.000 1.124 127 V CB 0.781 32.648 31.823 0.072 0.000 0.987 127 V HN 1.183 nan 8.190 nan 0.000 0.487 128 D N -0.346 120.081 120.400 0.044 0.000 2.712 128 D HA 0.327 4.970 4.640 0.005 0.000 0.300 128 D C 0.898 177.169 176.300 -0.049 0.000 1.521 128 D CA 0.218 54.204 54.000 -0.023 0.000 0.790 128 D CB 0.150 40.976 40.800 0.044 0.000 1.155 128 D HN 1.550 nan 8.370 nan 0.000 0.456 129 G N -0.218 108.564 108.800 -0.031 0.000 2.175 129 G HA2 -0.250 3.713 3.960 0.005 0.000 0.244 129 G HA3 -0.250 3.713 3.960 0.005 0.000 0.244 129 G C 0.357 175.258 174.900 0.002 0.000 0.982 129 G CA 0.188 45.258 45.100 -0.051 0.000 0.641 129 G HN 0.448 nan 8.290 nan 0.000 0.527 130 T N 2.185 116.776 114.554 0.062 0.000 2.907 130 T HA 0.419 4.772 4.350 0.005 0.000 0.298 130 T C -0.055 174.673 174.700 0.046 0.000 1.017 130 T CA -0.140 62.015 62.100 0.092 0.000 1.118 130 T CB 0.987 69.943 68.868 0.146 0.000 0.948 130 T HN 0.194 nan 8.240 nan 0.000 0.531 131 D N 4.106 124.528 120.400 0.036 0.000 2.346 131 D HA 0.085 4.728 4.640 0.005 0.000 0.260 131 D C 0.233 176.531 176.300 -0.002 0.000 1.252 131 D CA -0.023 53.983 54.000 0.010 0.000 0.895 131 D CB 0.424 41.228 40.800 0.006 0.000 1.097 131 D HN 0.231 nan 8.370 nan 0.000 0.489 132 M N 1.650 121.242 119.600 -0.015 0.000 2.249 132 M HA 0.229 4.712 4.480 0.005 0.000 0.351 132 M C -0.013 176.255 176.300 -0.053 0.000 1.180 132 M CA -0.492 54.787 55.300 -0.035 0.000 1.127 132 M CB 0.929 33.519 32.600 -0.017 0.000 1.546 132 M HN 0.299 nan 8.290 nan 0.000 0.461 133 C N 2.813 122.041 119.300 -0.119 0.000 2.507 133 C HA 0.358 4.821 4.460 0.005 0.000 0.319 133 C C 1.805 176.564 174.990 -0.386 0.000 1.208 133 C CA -0.774 58.138 59.018 -0.176 0.000 1.619 133 C CB 1.366 29.029 27.740 -0.128 0.000 2.230 133 C HN 0.969 nan 8.230 nan 0.000 0.492 134 L N 2.973 123.957 121.223 -0.397 0.000 2.261 134 L HA -0.067 4.276 4.340 0.005 0.000 0.216 134 L C 2.274 178.867 176.870 -0.462 0.000 1.114 134 L CA 2.142 56.622 54.840 -0.599 0.000 0.777 134 L CB -0.292 41.521 42.059 -0.411 0.000 0.910 134 L HN 0.873 nan 8.230 nan 0.000 0.440 135 A N -1.612 121.064 122.820 -0.239 0.000 2.209 135 A HA -0.107 4.216 4.320 0.005 0.000 0.212 135 A C 1.784 179.374 177.584 0.009 0.000 1.158 135 A CA 1.138 53.145 52.037 -0.050 0.000 0.742 135 A CB -0.500 18.476 19.000 -0.040 0.000 0.790 135 A HN 0.464 nan 8.150 nan 0.000 0.472 136 D N -0.667 119.579 120.400 -0.255 0.000 2.269 136 D HA 0.090 4.733 4.640 0.005 0.000 0.208 136 D C 0.133 176.455 176.300 0.037 0.000 0.963 136 D CA 0.943 54.885 54.000 -0.097 0.000 0.864 136 D CB 0.051 40.747 40.800 -0.172 0.000 0.936 136 D HN 0.584 nan 8.370 nan 0.000 0.505 137 F N -2.015 118.007 119.950 0.119 0.000 2.686 137 F HA 0.388 4.918 4.527 0.005 0.000 0.311 137 F C 0.330 176.039 175.800 -0.153 0.000 1.128 137 F CA -1.267 56.625 58.000 -0.180 0.000 0.946 137 F CB 0.546 39.571 39.000 0.042 0.000 1.336 137 F HN -0.221 nan 8.300 nan 0.000 0.457 138 H N -0.371 118.572 119.070 -0.212 0.000 2.672 138 H HA 0.879 5.438 4.556 0.005 0.000 0.277 138 H C -0.352 174.885 175.328 -0.152 0.000 1.074 138 H CA -0.202 55.690 56.048 -0.261 0.000 1.173 138 H CB 0.167 29.528 29.762 -0.668 0.000 1.558 138 H HN 0.974 nan 8.280 nan 0.000 0.539 139 A N -0.623 122.216 122.820 0.031 0.000 2.549 139 A HA 0.703 5.026 4.320 0.005 0.000 0.291 139 A C -0.423 177.117 177.584 -0.074 0.000 1.034 139 A CA -0.333 51.655 52.037 -0.081 0.000 0.655 139 A CB 0.620 19.243 19.000 -0.629 0.000 1.299 139 A HN 0.978 nan 8.150 nan 0.000 0.427 140 G N -0.965 107.778 108.800 -0.095 0.000 2.315 140 G HA2 0.534 4.496 3.960 0.005 0.000 0.294 140 G HA3 0.534 4.496 3.960 0.005 0.000 0.294 140 G C -1.709 172.971 174.900 -0.366 0.000 1.300 140 G CA -0.348 44.554 45.100 -0.330 0.000 0.843 140 G HN 1.080 nan 8.290 nan 0.000 0.527 141 I N 0.817 121.063 120.570 -0.540 0.000 2.339 141 I HA 0.535 4.708 4.170 0.005 0.000 0.290 141 I C -0.643 175.098 176.117 -0.626 0.000 0.994 141 I CA -0.393 60.694 61.300 -0.355 0.000 1.191 141 I CB 1.103 38.985 38.000 -0.197 0.000 1.343 141 I HN 0.267 nan 8.210 nan 0.000 0.458 142 F N 5.296 125.239 119.950 -0.012 0.000 2.613 142 F HA 0.542 5.072 4.527 0.006 0.000 0.342 142 F C -0.121 175.667 175.800 -0.020 0.000 1.066 142 F CA -0.912 57.104 58.000 0.027 0.000 1.002 142 F CB 1.294 40.416 39.000 0.203 0.000 1.319 142 F HN 0.216 nan 8.300 nan 0.000 0.495 143 L N 2.125 123.503 121.223 0.258 0.000 2.280 143 L HA 0.434 4.777 4.340 0.005 0.000 0.287 143 L C -0.875 176.080 176.870 0.142 0.000 1.023 143 L CA -0.539 54.373 54.840 0.120 0.000 0.819 143 L CB 0.838 42.957 42.059 0.101 0.000 1.212 143 L HN 0.551 nan 8.230 nan 0.000 0.420 144 K N 3.715 124.138 120.400 0.039 0.000 2.234 144 K HA 0.446 4.768 4.320 0.005 0.000 0.277 144 K C 0.691 177.361 176.600 0.116 0.000 1.038 144 K CA 0.583 56.912 56.287 0.071 0.000 0.888 144 K CB 1.516 33.995 32.500 -0.034 0.000 1.091 144 K HN 0.897 nan 8.250 nan 0.000 0.467 145 G N 3.547 112.420 108.800 0.121 0.000 2.815 145 G HA2 -0.366 3.597 3.960 0.005 0.000 0.326 145 G HA3 -0.366 3.597 3.960 0.005 0.000 0.326 145 G C -0.715 174.232 174.900 0.077 0.000 1.191 145 G CA 0.644 45.797 45.100 0.089 0.000 0.965 145 G HN 0.550 nan 8.290 nan 0.000 0.564 146 Q N 0.163 120.008 119.800 0.075 0.000 2.418 146 Q HA 0.540 4.883 4.340 0.005 0.000 0.282 146 Q C 0.145 176.192 176.000 0.079 0.000 1.044 146 Q CA 0.306 56.146 55.803 0.062 0.000 0.813 146 Q CB 1.343 30.105 28.738 0.040 0.000 1.428 146 Q HN 1.600 nan 8.270 nan 0.000 0.402 147 E N -1.103 119.137 120.200 0.067 0.000 2.735 147 E HA -0.383 3.970 4.350 0.005 0.000 0.261 147 E C -0.853 175.835 176.600 0.148 0.000 1.137 147 E CA 1.853 58.300 56.400 0.079 0.000 0.754 147 E CB -1.457 28.278 29.700 0.058 0.000 1.352 147 E HN 0.713 nan 8.360 nan 0.000 0.430 148 H N -0.310 118.776 119.070 0.027 0.000 2.895 148 H HA 0.810 5.369 4.556 0.005 0.000 0.373 148 H C -1.110 174.232 175.328 0.023 0.000 1.174 148 H CA -0.110 55.953 56.048 0.026 0.000 1.144 148 H CB 2.032 31.796 29.762 0.004 0.000 1.793 148 H HN 0.375 nan 8.280 nan 0.000 0.551 149 A N 2.832 125.244 122.820 -0.681 0.000 2.423 149 A HA 0.820 5.143 4.320 0.005 0.000 0.304 149 A C -1.030 176.186 177.584 -0.615 0.000 1.104 149 A CA -0.006 51.752 52.037 -0.466 0.000 0.757 149 A CB 1.077 19.982 19.000 -0.158 0.000 1.313 149 A HN 1.059 nan 8.150 nan 0.000 0.423 150 V N -1.933 117.790 119.914 -0.318 0.000 3.226 150 V HA 0.874 4.997 4.120 0.005 0.000 0.304 150 V C -0.988 175.101 176.094 -0.009 0.000 1.336 150 V CA -0.848 61.316 62.300 -0.228 0.000 1.066 150 V CB 1.428 33.034 31.823 -0.362 0.000 1.087 150 V HN 1.386 nan 8.190 nan 0.000 0.451 151 F N 0.924 120.787 119.950 -0.145 0.000 2.507 151 F HA 0.978 5.508 4.527 0.005 0.000 0.327 151 F C -0.030 175.806 175.800 0.060 0.000 1.068 151 F CA -0.220 57.747 58.000 -0.055 0.000 0.965 151 F CB 1.606 40.515 39.000 -0.151 0.000 1.192 151 F HN 1.234 nan 8.300 nan 0.000 0.476 152 A N 2.833 125.126 122.820 -0.879 0.000 2.604 152 A HA 0.770 5.093 4.320 0.005 0.000 0.295 152 A C -1.478 175.798 177.584 -0.512 0.000 1.067 152 A CA -0.197 51.574 52.037 -0.444 0.000 0.683 152 A CB 0.641 19.821 19.000 0.300 0.000 1.281 152 A HN 1.618 nan 8.150 nan 0.000 0.407 153 C N -0.578 118.562 119.300 -0.267 0.000 3.285 153 C HA 0.758 5.221 4.460 0.005 0.000 0.325 153 C C -0.459 174.202 174.990 -0.548 0.000 1.304 153 C CA -0.835 57.950 59.018 -0.387 0.000 1.319 153 C CB 0.579 28.172 27.740 -0.245 0.000 1.640 153 C HN 1.016 nan 8.230 nan 0.000 0.477 154 V N 3.284 122.653 119.914 -0.909 0.000 2.450 154 V HA 0.457 4.580 4.120 0.005 0.000 0.281 154 V C 1.075 177.050 176.094 -0.198 0.000 1.019 154 V CA 1.534 63.357 62.300 -0.795 0.000 1.062 154 V CB 0.382 31.892 31.823 -0.523 0.000 0.979 154 V HN 1.191 nan 8.190 nan 0.000 0.477 155 T N 0.788 115.274 114.554 -0.113 0.000 2.916 155 T HA 0.331 4.684 4.350 0.005 0.000 0.292 155 T C 1.236 175.936 174.700 -0.000 0.000 1.064 155 T CA -0.014 62.078 62.100 -0.012 0.000 1.011 155 T CB 1.755 70.603 68.868 -0.034 0.000 1.152 155 T HN 0.613 nan 8.240 nan 0.000 0.510 156 S N 1.429 117.126 115.700 -0.006 0.000 2.428 156 S HA -0.176 4.296 4.470 0.005 0.000 0.240 156 S C 1.138 175.754 174.600 0.025 0.000 1.036 156 S CA 1.217 59.418 58.200 0.002 0.000 1.009 156 S CB -0.719 62.474 63.200 -0.012 0.000 0.803 156 S HN 0.785 nan 8.310 nan 0.000 0.486 157 N N 1.715 120.437 118.700 0.037 0.000 2.238 157 N HA 0.393 5.136 4.740 0.005 0.000 0.222 157 N C 0.893 176.530 175.510 0.211 0.000 1.133 157 N CA 0.710 53.834 53.050 0.123 0.000 0.854 157 N CB 0.722 39.310 38.487 0.169 0.000 1.041 157 N HN 0.638 nan 8.380 nan 0.000 0.510 158 G N 0.437 109.334 108.800 0.162 0.000 2.526 158 G HA2 -0.209 3.754 3.960 0.005 0.000 0.250 158 G HA3 -0.209 3.754 3.960 0.005 0.000 0.250 158 G C -1.459 173.581 174.900 0.233 0.000 1.289 158 G CA -1.026 44.192 45.100 0.196 0.000 0.947 158 G HN 0.163 nan 8.290 nan 0.000 0.517 159 W N -0.196 121.191 121.300 0.145 0.000 2.216 159 W HA 0.634 5.297 4.660 0.004 0.000 0.326 159 W C 0.115 176.781 176.519 0.245 0.000 1.319 159 W CA 0.520 57.946 57.345 0.134 0.000 1.213 159 W CB 0.377 29.826 29.460 -0.019 0.000 1.171 159 W HN 0.524 nan 8.180 nan 0.000 0.557 160 Y N 1.141 121.577 120.300 0.227 0.000 2.536 160 Y HA 0.681 5.234 4.550 0.005 0.000 0.347 160 Y C 0.026 175.971 175.900 0.075 0.000 1.000 160 Y CA -1.596 56.603 58.100 0.165 0.000 1.051 160 Y CB 1.885 40.409 38.460 0.108 0.000 1.259 160 Y HN 0.415 nan 8.280 nan 0.000 0.468 161 A N 3.368 126.179 122.820 -0.015 0.000 2.365 161 A HA 0.779 5.102 4.320 0.005 0.000 0.318 161 A C -1.354 175.891 177.584 -0.566 0.000 1.091 161 A CA -0.661 51.202 52.037 -0.290 0.000 0.763 161 A CB 0.608 19.341 19.000 -0.447 0.000 1.248 161 A HN 0.664 nan 8.150 nan 0.000 0.442 162 I N 2.453 122.724 120.570 -0.499 0.000 2.388 162 I HA 0.191 4.364 4.170 0.005 0.000 0.281 162 I C -0.642 175.203 176.117 -0.453 0.000 1.046 162 I CA -0.214 60.675 61.300 -0.685 0.000 1.187 162 I CB 1.170 38.875 38.000 -0.491 0.000 1.351 162 I HN 0.587 nan 8.210 nan 0.000 0.472 163 D N 7.198 127.307 120.400 -0.485 0.000 2.500 163 D HA 0.072 4.715 4.640 0.005 0.000 0.219 163 D C 0.335 176.585 176.300 -0.082 0.000 1.137 163 D CA 0.174 54.043 54.000 -0.218 0.000 0.946 163 D CB 0.605 41.340 40.800 -0.109 0.000 1.022 163 D HN 0.521 nan 8.370 nan 0.000 0.518 164 D N 2.293 122.658 120.400 -0.059 0.000 4.541 164 D HA -0.285 4.358 4.640 0.005 0.000 0.209 164 D C 0.754 177.062 176.300 0.014 0.000 0.584 164 D CA 1.587 55.584 54.000 -0.004 0.000 1.297 164 D CB -0.368 40.461 40.800 0.047 0.000 0.807 164 D HN 0.590 nan 8.370 nan 0.000 0.433 165 E N 1.003 121.238 120.200 0.059 0.000 2.473 165 E HA 0.086 4.439 4.350 0.005 0.000 0.204 165 E C -0.226 176.506 176.600 0.221 0.000 0.994 165 E CA -0.008 56.474 56.400 0.137 0.000 0.945 165 E CB 0.705 30.473 29.700 0.113 0.000 0.990 165 E HN 0.330 nan 8.360 nan 0.000 0.493 166 D N 0.035 120.526 120.400 0.151 0.000 2.217 166 D HA 0.323 4.966 4.640 0.005 0.000 0.248 166 D C -0.689 175.692 176.300 0.134 0.000 1.008 166 D CA -0.119 54.028 54.000 0.245 0.000 0.914 166 D CB 1.294 42.246 40.800 0.253 0.000 1.182 166 D HN -0.181 nan 8.370 nan 0.000 0.451 167 F N 1.002 120.990 119.950 0.063 0.000 2.520 167 F HA 0.414 4.945 4.527 0.005 0.000 0.322 167 F C -0.316 175.530 175.800 0.077 0.000 1.103 167 F CA -0.767 57.241 58.000 0.014 0.000 0.926 167 F CB 1.303 40.406 39.000 0.171 0.000 1.154 167 F HN 0.218 nan 8.300 nan 0.000 0.453 168 Y N 0.603 120.985 120.300 0.136 0.000 2.662 168 Y HA 0.626 5.179 4.550 0.005 0.000 0.334 168 Y C -3.530 171.976 175.900 -0.656 0.000 1.185 168 Y CA -3.715 54.277 58.100 -0.179 0.000 1.074 168 Y CB 0.386 38.812 38.460 -0.058 0.000 1.330 168 Y HN 0.227 nan 8.280 nan 0.000 0.458 169 P HA 0.155 nan 4.420 nan 0.000 0.271 169 P C -1.407 175.995 177.300 0.169 0.000 1.220 169 P CA 0.847 63.675 63.100 -0.453 0.000 0.768 169 P CB 0.280 31.852 31.700 -0.213 0.000 0.848 170 W N 2.935 124.225 121.300 -0.016 0.000 3.651 170 W HA 0.249 4.912 4.660 0.005 0.000 0.322 170 W C -1.418 175.086 176.519 -0.026 0.000 1.132 170 W CA -0.061 57.305 57.345 0.034 0.000 1.277 170 W CB 0.953 30.499 29.460 0.144 0.000 1.249 170 W HN 0.047 nan 8.180 nan 0.000 0.448 171 T N 8.416 122.594 114.554 -0.625 0.000 2.738 171 T HA 0.340 4.693 4.350 0.005 0.000 0.298 171 T C -2.110 171.704 174.700 -1.477 0.000 0.962 171 T CA -0.802 60.812 62.100 -0.810 0.000 0.972 171 T CB 0.865 69.434 68.868 -0.499 0.000 0.928 171 T HN 0.163 nan 8.240 nan 0.000 0.474 172 P HA 0.240 nan 4.420 nan 0.000 0.274 172 P C -0.829 175.856 177.300 -1.024 0.000 1.237 172 P CA -0.464 61.525 63.100 -1.851 0.000 0.793 172 P CB 0.811 31.267 31.700 -2.073 0.000 0.977 173 D N 1.841 121.856 120.400 -0.642 0.000 2.274 173 D HA 0.218 4.861 4.640 0.005 0.000 0.239 173 D C -1.684 174.508 176.300 -0.180 0.000 1.104 173 D CA -2.555 51.241 54.000 -0.340 0.000 0.840 173 D CB 0.738 41.420 40.800 -0.196 0.000 1.100 173 D HN -0.004 nan 8.370 nan 0.000 0.477 174 P HA -0.280 nan 4.420 nan 0.000 0.219 174 P C 1.320 178.676 177.300 0.094 0.000 1.161 174 P CA 2.343 65.460 63.100 0.028 0.000 0.909 174 P CB 0.000 31.667 31.700 -0.056 0.000 0.793 175 S N -1.467 114.248 115.700 0.026 0.000 2.420 175 S HA -0.190 4.283 4.470 0.005 0.000 0.237 175 S C 1.309 175.949 174.600 0.067 0.000 1.023 175 S CA 1.636 59.855 58.200 0.032 0.000 0.991 175 S CB -1.155 62.047 63.200 0.003 0.000 0.792 175 S HN 0.164 nan 8.310 nan 0.000 0.488 176 D N 1.131 121.603 120.400 0.121 0.000 2.319 176 D HA 0.239 4.882 4.640 0.005 0.000 0.230 176 D C 0.234 176.671 176.300 0.228 0.000 1.094 176 D CA 0.001 54.102 54.000 0.169 0.000 0.856 176 D CB 0.177 41.102 40.800 0.208 0.000 0.915 176 D HN 0.322 nan 8.370 nan 0.000 0.517 177 V N 0.987 121.012 119.914 0.185 0.000 2.686 177 V HA 0.095 4.218 4.120 0.005 0.000 0.295 177 V C 0.957 176.968 176.094 -0.140 0.000 1.055 177 V CA 0.060 62.298 62.300 -0.103 0.000 1.050 177 V CB 1.130 32.828 31.823 -0.209 0.000 0.984 177 V HN 0.016 nan 8.190 nan 0.000 0.482 178 L N 5.700 126.778 121.223 -0.242 0.000 2.588 178 L HA 0.390 4.733 4.340 0.005 0.000 0.194 178 L C -0.319 176.490 176.870 -0.102 0.000 1.070 178 L CA 0.279 55.043 54.840 -0.127 0.000 0.852 178 L CB 0.416 42.406 42.059 -0.116 0.000 1.199 178 L HN 0.418 nan 8.230 nan 0.000 0.486 179 V N 1.107 120.901 119.914 -0.200 0.000 2.577 179 V HA 0.434 4.557 4.120 0.005 0.000 0.303 179 V C -0.938 174.993 176.094 -0.273 0.000 1.042 179 V CA -0.612 61.575 62.300 -0.188 0.000 0.872 179 V CB 1.566 33.285 31.823 -0.173 0.000 0.998 179 V HN 0.184 nan 8.190 nan 0.000 0.423 180 F N 3.257 122.972 119.950 -0.393 0.000 2.640 180 F HA 0.952 5.482 4.527 0.005 0.000 0.324 180 F C -0.825 174.805 175.800 -0.284 0.000 1.077 180 F CA -1.615 56.082 58.000 -0.505 0.000 0.965 180 F CB 1.745 40.200 39.000 -0.909 0.000 1.351 180 F HN 0.130 nan 8.300 nan 0.000 0.487 181 V N 2.667 122.469 119.914 -0.187 0.000 2.326 181 V HA 0.452 4.575 4.120 0.005 0.000 0.281 181 V C -2.369 173.565 176.094 -0.267 0.000 1.015 181 V CA -1.679 60.460 62.300 -0.267 0.000 0.823 181 V CB 0.947 32.573 31.823 -0.330 0.000 1.009 181 V HN 0.649 nan 8.190 nan 0.000 0.436 182 P HA 0.269 nan 4.420 nan 0.000 0.281 182 P C -0.243 177.051 177.300 -0.010 0.000 1.249 182 P CA -0.312 62.816 63.100 0.045 0.000 0.810 182 P CB 1.397 33.242 31.700 0.243 0.000 1.008 183 Y N -0.364 120.054 120.300 0.197 0.000 2.395 183 Y HA 0.005 4.558 4.550 0.005 0.000 0.293 183 Y C 0.915 176.920 175.900 0.175 0.000 1.123 183 Y CA 1.319 59.542 58.100 0.205 0.000 1.227 183 Y CB 0.026 38.587 38.460 0.169 0.000 1.012 183 Y HN 0.282 nan 8.280 nan 0.000 0.552 184 D N -2.114 118.458 120.400 0.287 0.000 2.592 184 D HA 0.233 4.876 4.640 0.005 0.000 0.263 184 D C -0.142 176.253 176.300 0.158 0.000 1.132 184 D CA -0.568 53.552 54.000 0.200 0.000 0.996 184 D CB 0.967 41.869 40.800 0.171 0.000 1.442 184 D HN -0.059 nan 8.370 nan 0.000 0.486 185 Q N -0.230 119.641 119.800 0.119 0.000 2.198 185 Q HA 0.104 4.447 4.340 0.005 0.000 0.209 185 Q C -0.484 175.568 176.000 0.087 0.000 0.848 185 Q CA -0.121 55.739 55.803 0.095 0.000 0.974 185 Q CB 0.919 29.698 28.738 0.069 0.000 1.115 185 Q HN 0.247 nan 8.270 nan 0.000 0.494 186 E N 1.887 122.144 120.200 0.096 0.000 2.360 186 E HA 0.146 4.498 4.350 0.005 0.000 0.269 186 E C -2.314 174.340 176.600 0.089 0.000 1.022 186 E CA -2.032 54.415 56.400 0.078 0.000 0.887 186 E CB 0.286 30.032 29.700 0.076 0.000 0.990 186 E HN 0.047 nan 8.360 nan 0.000 0.426 187 P HA -0.036 nan 4.420 nan 0.000 0.264 187 P C 0.405 177.759 177.300 0.090 0.000 1.179 187 P CA 0.364 63.508 63.100 0.072 0.000 0.763 187 P CB 0.449 32.167 31.700 0.030 0.000 0.806 188 L N 1.851 123.146 121.223 0.120 0.000 2.592 188 L HA 0.190 4.533 4.340 0.005 0.000 0.227 188 L C -0.148 176.777 176.870 0.091 0.000 1.127 188 L CA 0.300 55.209 54.840 0.116 0.000 0.884 188 L CB -0.384 41.768 42.059 0.156 0.000 1.065 188 L HN 0.505 nan 8.230 nan 0.000 0.457 189 N N 0.618 119.365 118.700 0.080 0.000 4.348 189 N HA -0.048 4.695 4.740 0.005 0.000 0.234 189 N C -0.476 175.091 175.510 0.094 0.000 2.145 189 N CA 0.587 53.677 53.050 0.067 0.000 2.631 189 N CB -0.673 37.856 38.487 0.071 0.000 0.503 189 N HN 0.173 nan 8.380 nan 0.000 0.563 190 G N 1.295 110.090 108.800 -0.008 0.000 3.829 190 G HA2 0.343 4.306 3.960 0.005 0.000 0.289 190 G HA3 0.343 4.306 3.960 0.005 0.000 0.289 190 G C 0.643 175.290 174.900 -0.422 0.000 1.274 190 G CA -0.304 44.703 45.100 -0.154 0.000 0.698 190 G HN 0.363 nan 8.290 nan 0.000 0.488 191 E N 0.597 120.720 120.200 -0.128 0.000 2.110 191 E HA -0.107 4.246 4.350 0.005 0.000 0.193 191 E C 2.109 178.635 176.600 -0.124 0.000 0.988 191 E CA 1.924 58.266 56.400 -0.096 0.000 0.804 191 E CB 0.032 29.749 29.700 0.029 0.000 0.745 191 E HN 0.805 nan 8.360 nan 0.000 0.458 192 W N 1.014 122.319 121.300 0.008 0.000 2.387 192 W HA -0.121 4.541 4.660 0.004 0.000 0.272 192 W C 1.114 177.637 176.519 0.007 0.000 1.224 192 W CA 0.477 57.825 57.345 0.005 0.000 1.210 192 W CB -0.597 28.864 29.460 0.001 0.000 1.125 192 W HN -0.063 nan 8.180 nan 0.000 0.572 193 K N 1.297 121.210 120.400 -0.811 0.000 2.360 193 K HA -0.124 4.199 4.320 0.005 0.000 0.201 193 K C 2.181 178.638 176.600 -0.238 0.000 1.046 193 K CA 1.503 57.376 56.287 -0.690 0.000 0.940 193 K CB -0.231 31.794 32.500 -0.792 0.000 0.748 193 K HN 0.288 nan 8.250 nan 0.000 0.465 194 A N 0.636 123.368 122.820 -0.146 0.000 1.887 194 A HA -0.077 4.246 4.320 0.005 0.000 0.212 194 A C 2.057 179.641 177.584 -0.001 0.000 1.198 194 A CA 0.922 52.922 52.037 -0.061 0.000 0.628 194 A CB -0.229 18.742 19.000 -0.048 0.000 0.847 194 A HN 0.177 nan 8.150 nan 0.000 0.449 195 K N 0.009 120.434 120.400 0.041 0.000 2.074 195 K HA -0.123 4.200 4.320 0.005 0.000 0.209 195 K C 1.409 178.060 176.600 0.085 0.000 1.048 195 K CA 1.785 58.117 56.287 0.075 0.000 0.926 195 K CB -0.182 32.390 32.500 0.121 0.000 0.713 195 K HN 0.266 nan 8.250 nan 0.000 0.444 196 V N 0.743 120.729 119.914 0.121 0.000 3.510 196 V HA -0.086 4.037 4.120 0.005 0.000 0.270 196 V C 1.436 177.573 176.094 0.071 0.000 1.201 196 V CA 1.152 63.529 62.300 0.129 0.000 1.166 196 V CB -0.172 31.794 31.823 0.238 0.000 0.825 196 V HN 0.343 nan 8.190 nan 0.000 0.484 197 Q N -0.631 119.190 119.800 0.035 0.000 2.280 197 Q HA 0.203 4.546 4.340 0.005 0.000 0.244 197 Q C 1.236 177.244 176.000 0.014 0.000 0.847 197 Q CA -0.309 55.504 55.803 0.016 0.000 0.945 197 Q CB 0.751 29.483 28.738 -0.010 0.000 1.115 197 Q HN 0.508 nan 8.270 nan 0.000 0.513 198 R N 2.107 122.616 120.500 0.016 0.000 2.623 198 R HA 0.036 4.379 4.340 0.005 0.000 0.271 198 R C -0.629 175.680 176.300 0.016 0.000 1.043 198 R CA 0.390 56.498 56.100 0.013 0.000 1.083 198 R CB 0.524 30.834 30.300 0.016 0.000 0.974 198 R HN -0.126 nan 8.270 nan 0.000 0.436 199 K N 4.579 124.986 120.400 0.012 0.000 2.234 199 K HA 0.256 4.579 4.320 0.005 0.000 0.282 199 K C -0.539 176.068 176.600 0.012 0.000 1.039 199 K CA -0.251 56.043 56.287 0.012 0.000 0.928 199 K CB 0.890 33.396 32.500 0.009 0.000 1.039 199 K HN 0.439 nan 8.250 nan 0.000 0.470 200 L N 2.916 124.147 121.223 0.013 0.000 2.333 200 L HA 0.491 4.834 4.340 0.005 0.000 0.269 200 L C 0.118 176.995 176.870 0.011 0.000 1.010 200 L CA -1.005 53.842 54.840 0.013 0.000 0.818 200 L CB 1.631 43.699 42.059 0.015 0.000 1.306 200 L HN 0.470 nan 8.230 nan 0.000 0.430 201 K N 0.000 120.406 120.400 0.009 0.000 2.780 201 K HA 0.000 4.323 4.320 0.005 0.000 0.191 201 K CA 0.000 56.292 56.287 0.008 0.000 0.838 201 K CB 0.000 32.504 32.500 0.007 0.000 1.064 201 K HN 0.000 nan 8.250 nan 0.000 0.543