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 2ozk_1_C DATA FIRST_RESID 29 DATA SEQUENCE NAVYTKVDGI DVEIFENKTT LPVNVAFELW AKRNIKPVPE IKILNNLGVD DATA SEQUENCE IAANTVIWDY KREAPAHVST IGVCTMTDIA KKPTESACSS LTVLFDGRVE DATA SEQUENCE GQVDLFRNAR NGVLITEGSV KGLTPSKGPA QASVNGVTLI GESVKTQFNY DATA SEQUENCE FKKVDGIIQQ LPETYFTQSR DLEDFKPRSQ METDFLELAM DEFIQRYKLE DATA SEQUENCE GYAFEHIVYG XXXXXXXXGL HLMIGLAKRS QDSPLKLEDF IPMDSTVKNY DATA SEQUENCE FITDAQXXXX XCVCSVIDLL LDDFVEIIKS QDLSVISKVV KVTIDYAEIS DATA SEQUENCE FMLW 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 N HA 0.000 nan 4.740 nan 0.000 0.220 29 N C 0.000 175.516 175.510 0.010 0.000 1.280 29 N CA 0.000 53.066 53.050 0.027 0.000 0.885 29 N CB 0.000 38.506 38.487 0.032 0.000 1.341 30 A N 0.094 122.895 122.820 -0.032 0.000 2.507 30 A HA 0.430 4.829 4.320 0.131 0.000 0.235 30 A C 0.454 178.044 177.584 0.010 0.000 1.070 30 A CA -0.043 51.919 52.037 -0.125 0.000 0.768 30 A CB -0.380 18.383 19.000 -0.395 0.000 1.011 30 A HN 0.698 nan 8.150 nan 0.000 0.502 31 V N 0.134 120.024 119.914 -0.039 0.000 2.904 31 V HA 0.792 4.991 4.120 0.131 0.000 0.305 31 V C -0.361 175.750 176.094 0.029 0.000 1.067 31 V CA -0.480 61.813 62.300 -0.011 0.000 1.044 31 V CB 0.398 32.156 31.823 -0.109 0.000 1.050 31 V HN 1.084 nan 8.190 nan 0.000 0.475 32 Y N -0.424 119.825 120.300 -0.084 0.000 2.644 32 Y HA 0.843 5.471 4.550 0.131 0.000 0.338 32 Y C -0.147 175.730 175.900 -0.039 0.000 1.119 32 Y CA -0.702 57.355 58.100 -0.071 0.000 1.060 32 Y CB 1.484 39.911 38.460 -0.055 0.000 1.294 32 Y HN 0.787 nan 8.280 nan 0.000 0.472 33 T N -0.390 114.229 114.554 0.109 0.000 2.949 33 T HA 0.393 4.822 4.350 0.131 0.000 0.287 33 T C -0.151 174.633 174.700 0.140 0.000 1.034 33 T CA -0.797 61.329 62.100 0.044 0.000 1.018 33 T CB 1.574 70.460 68.868 0.029 0.000 1.135 33 T HN 0.797 nan 8.240 nan 0.000 0.532 34 K N 1.301 121.752 120.400 0.085 0.000 2.399 34 K HA 0.363 4.762 4.320 0.131 0.000 0.204 34 K C -0.093 176.543 176.600 0.059 0.000 1.023 34 K CA -0.163 56.183 56.287 0.098 0.000 1.127 34 K CB 0.349 32.901 32.500 0.087 0.000 0.856 34 K HN 0.456 nan 8.250 nan 0.000 0.514 35 V N 3.468 123.410 119.914 0.047 0.000 2.899 35 V HA -0.198 4.000 4.120 0.131 0.000 0.293 35 V C 0.278 176.390 176.094 0.031 0.000 1.114 35 V CA 0.696 63.016 62.300 0.033 0.000 1.270 35 V CB -0.492 31.349 31.823 0.031 0.000 0.814 35 V HN 0.463 nan 8.190 nan 0.000 0.457 36 D N 5.413 125.828 120.400 0.024 0.000 7.219 36 D HA -0.010 4.709 4.640 0.131 0.000 0.206 36 D C 0.900 177.214 176.300 0.023 0.000 1.487 36 D CA 1.747 55.760 54.000 0.022 0.000 0.905 36 D CB -0.557 40.253 40.800 0.016 0.000 1.584 36 D HN 1.269 nan 8.370 nan 0.000 0.920 37 G N 2.367 111.184 108.800 0.028 0.000 3.413 37 G HA2 -0.139 3.900 3.960 0.131 0.000 0.556 37 G HA3 -0.139 3.900 3.960 0.131 0.000 0.556 37 G C 0.458 175.371 174.900 0.021 0.000 0.870 37 G CA 0.153 45.267 45.100 0.024 0.000 0.729 37 G HN 0.676 nan 8.290 nan 0.000 0.428 38 I N -1.167 119.414 120.570 0.020 0.000 4.324 38 I HA 0.701 4.950 4.170 0.131 0.000 0.154 38 I C 0.073 176.217 176.117 0.044 0.000 0.591 38 I CA -1.095 60.223 61.300 0.029 0.000 2.435 38 I CB 0.033 38.039 38.000 0.009 0.000 1.234 38 I HN 0.218 nan 8.210 nan 0.000 0.431 39 D N 2.378 122.785 120.400 0.012 0.000 2.662 39 D HA 0.217 4.936 4.640 0.131 0.000 0.233 39 D C -0.604 175.707 176.300 0.018 0.000 1.129 39 D CA 0.590 54.578 54.000 -0.019 0.000 0.851 39 D CB 0.585 41.182 40.800 -0.339 0.000 1.152 39 D HN 0.264 nan 8.370 nan 0.000 0.507 40 V N 3.925 123.902 119.914 0.104 0.000 2.320 40 V HA 0.062 4.261 4.120 0.131 0.000 0.268 40 V C 0.406 176.568 176.094 0.112 0.000 1.021 40 V CA -0.756 61.597 62.300 0.088 0.000 0.813 40 V CB 0.550 32.420 31.823 0.078 0.000 1.054 40 V HN 0.399 nan 8.190 nan 0.000 0.444 41 E N 3.391 123.643 120.200 0.086 0.000 2.534 41 E HA 0.083 4.512 4.350 0.131 0.000 0.264 41 E C -0.188 176.380 176.600 -0.052 0.000 0.981 41 E CA 0.326 56.730 56.400 0.008 0.000 0.948 41 E CB 1.499 31.181 29.700 -0.029 0.000 0.934 41 E HN 0.645 nan 8.360 nan 0.000 0.459 42 I N 3.153 123.599 120.570 -0.207 0.000 2.354 42 I HA 0.309 4.558 4.170 0.131 0.000 0.286 42 I C -1.341 174.577 176.117 -0.332 0.000 1.007 42 I CA -0.625 60.583 61.300 -0.153 0.000 1.167 42 I CB 0.245 38.211 38.000 -0.057 0.000 1.320 42 I HN 0.306 nan 8.210 nan 0.000 0.458 43 F N 5.617 125.554 119.950 -0.021 0.000 2.458 43 F HA 0.370 4.975 4.527 0.130 0.000 0.330 43 F C 1.505 177.262 175.800 -0.070 0.000 1.082 43 F CA -0.380 57.590 58.000 -0.050 0.000 0.995 43 F CB 1.472 40.452 39.000 -0.034 0.000 1.170 43 F HN 0.573 nan 8.300 nan 0.000 0.478 44 E N 1.424 121.673 120.200 0.082 0.000 2.026 44 E HA -0.315 4.114 4.350 0.131 0.000 0.206 44 E C 1.113 177.724 176.600 0.018 0.000 1.028 44 E CA 2.719 59.099 56.400 -0.035 0.000 0.845 44 E CB 0.027 29.679 29.700 -0.081 0.000 0.772 44 E HN 0.839 nan 8.360 nan 0.000 0.462 45 N N -0.617 118.104 118.700 0.036 0.000 2.426 45 N HA -0.027 4.792 4.740 0.131 0.000 0.205 45 N C 0.855 176.369 175.510 0.007 0.000 1.040 45 N CA 0.578 53.650 53.050 0.037 0.000 0.990 45 N CB -0.566 37.938 38.487 0.028 0.000 1.215 45 N HN 0.024 nan 8.380 nan 0.000 0.491 46 K N -0.884 119.515 120.400 -0.001 0.000 3.362 46 K HA -0.268 4.131 4.320 0.131 0.000 0.294 46 K C 0.275 176.857 176.600 -0.030 0.000 1.140 46 K CA 2.167 58.446 56.287 -0.013 0.000 0.986 46 K CB -1.170 31.330 32.500 -0.001 0.000 1.374 46 K HN 0.752 nan 8.250 nan 0.000 0.405 47 T N -6.184 108.356 114.554 -0.025 0.000 3.087 47 T HA 0.146 4.575 4.350 0.131 0.000 0.283 47 T C 0.624 175.313 174.700 -0.018 0.000 0.956 47 T CA 0.656 62.736 62.100 -0.033 0.000 0.894 47 T CB 0.811 69.654 68.868 -0.042 0.000 1.160 47 T HN 0.114 nan 8.240 nan 0.000 0.532 48 T N 1.290 115.841 114.554 -0.005 0.000 7.013 48 T HA -0.158 4.271 4.350 0.131 0.000 0.288 48 T C 0.126 174.887 174.700 0.103 0.000 2.146 48 T CA 1.026 63.118 62.100 -0.012 0.000 3.498 48 T CB -1.948 66.875 68.868 -0.075 0.000 1.517 48 T HN 0.562 nan 8.240 nan 0.000 1.113 49 L N 2.055 123.343 121.223 0.107 0.000 2.439 49 L HA 0.293 4.711 4.340 0.131 0.000 0.269 49 L C -1.882 175.105 176.870 0.194 0.000 1.179 49 L CA -1.983 52.945 54.840 0.146 0.000 0.828 49 L CB 0.141 42.222 42.059 0.037 0.000 1.106 49 L HN -0.088 nan 8.230 nan 0.000 0.467 50 P HA -0.077 nan 4.420 nan 0.000 0.261 50 P C 0.968 178.119 177.300 -0.249 0.000 1.183 50 P CA -0.093 62.860 63.100 -0.245 0.000 0.761 50 P CB 0.493 32.038 31.700 -0.259 0.000 0.785 51 V N 2.613 122.323 119.914 -0.339 0.000 2.250 51 V HA -0.413 3.785 4.120 0.131 0.000 0.253 51 V C 1.948 177.697 176.094 -0.576 0.000 1.065 51 V CA 2.402 64.335 62.300 -0.612 0.000 1.039 51 V CB -1.879 29.679 31.823 -0.442 0.000 0.647 51 V HN 0.661 nan 8.190 nan 0.000 0.446 52 N N 0.626 119.193 118.700 -0.221 0.000 2.155 52 N HA -0.358 4.461 4.740 0.131 0.000 0.183 52 N C 1.911 177.405 175.510 -0.027 0.000 0.905 52 N CA 3.411 56.424 53.050 -0.061 0.000 0.890 52 N CB -0.334 38.104 38.487 -0.081 0.000 1.046 52 N HN 0.525 nan 8.380 nan 0.000 0.818 53 V N 0.227 120.108 119.914 -0.055 0.000 2.649 53 V HA 0.114 4.313 4.120 0.131 0.000 0.248 53 V C 2.352 178.450 176.094 0.006 0.000 1.054 53 V CA 1.693 63.993 62.300 -0.000 0.000 1.073 53 V CB -0.698 31.130 31.823 0.008 0.000 0.699 53 V HN 0.529 nan 8.190 nan 0.000 0.463 54 A N 0.605 123.371 122.820 -0.090 0.000 1.869 54 A HA -0.222 4.177 4.320 0.131 0.000 0.218 54 A C 1.984 179.629 177.584 0.102 0.000 1.203 54 A CA 2.558 54.554 52.037 -0.069 0.000 0.638 54 A CB -1.085 17.746 19.000 -0.281 0.000 0.831 54 A HN 0.596 nan 8.150 nan 0.000 0.450 55 F N -0.220 119.799 119.950 0.115 0.000 2.134 55 F HA -0.092 4.513 4.527 0.130 0.000 0.299 55 F C 2.253 178.140 175.800 0.146 0.000 1.097 55 F CA 1.125 59.199 58.000 0.124 0.000 1.264 55 F CB -1.102 37.929 39.000 0.051 0.000 1.001 55 F HN 0.463 nan 8.300 nan 0.000 0.479 56 E N 0.549 120.912 120.200 0.272 0.000 2.219 56 E HA -0.218 4.211 4.350 0.131 0.000 0.198 56 E C 2.089 178.780 176.600 0.153 0.000 0.998 56 E CA 1.111 57.613 56.400 0.169 0.000 0.818 56 E CB -0.207 29.558 29.700 0.108 0.000 0.741 56 E HN 0.431 nan 8.360 nan 0.000 0.477 57 L N -0.885 120.459 121.223 0.201 0.000 2.023 57 L HA -0.116 4.303 4.340 0.131 0.000 0.205 57 L C 2.313 179.315 176.870 0.219 0.000 1.073 57 L CA 1.142 56.120 54.840 0.231 0.000 0.745 57 L CB -0.700 41.540 42.059 0.302 0.000 0.900 57 L HN 0.338 nan 8.230 nan 0.000 0.435 58 W N 1.179 122.468 121.300 -0.019 0.000 2.305 58 W HA -0.312 4.426 4.660 0.130 0.000 0.308 58 W C 2.508 178.865 176.519 -0.271 0.000 1.226 58 W CA 2.199 59.262 57.345 -0.471 0.000 1.253 58 W CB -0.232 28.983 29.460 -0.408 0.000 1.146 58 W HN 0.172 nan 8.180 nan 0.000 0.507 59 A N 0.474 123.296 122.820 0.004 0.000 1.834 59 A HA -0.238 4.161 4.320 0.131 0.000 0.216 59 A C 1.814 179.292 177.584 -0.177 0.000 1.203 59 A CA 2.146 54.123 52.037 -0.100 0.000 0.621 59 A CB -1.022 18.002 19.000 0.040 0.000 0.841 59 A HN 0.130 nan 8.150 nan 0.000 0.446 60 K N 0.202 120.561 120.400 -0.069 0.000 2.643 60 K HA -0.006 4.393 4.320 0.131 0.000 0.193 60 K C 0.907 177.467 176.600 -0.067 0.000 1.027 60 K CA 0.077 56.332 56.287 -0.055 0.000 1.033 60 K CB -0.455 32.043 32.500 -0.002 0.000 0.827 60 K HN 0.564 nan 8.250 nan 0.000 0.500 61 R N 1.214 121.622 120.500 -0.153 0.000 2.623 61 R HA -0.024 4.395 4.340 0.131 0.000 0.271 61 R C -0.316 175.930 176.300 -0.090 0.000 1.043 61 R CA -0.148 55.878 56.100 -0.122 0.000 1.083 61 R CB 0.336 30.405 30.300 -0.385 0.000 0.974 61 R HN -0.001 nan 8.270 nan 0.000 0.436 62 N N 3.712 122.419 118.700 0.013 0.000 2.452 62 N HA -0.014 4.804 4.740 0.131 0.000 0.266 62 N C 0.746 176.270 175.510 0.024 0.000 1.209 62 N CA 0.067 53.130 53.050 0.022 0.000 0.929 62 N CB 0.538 39.063 38.487 0.063 0.000 1.063 62 N HN 0.692 nan 8.380 nan 0.000 0.472 63 I N 0.178 120.740 120.570 -0.014 0.000 4.187 63 I HA 0.249 4.498 4.170 0.131 0.000 0.326 63 I C 0.408 176.529 176.117 0.007 0.000 1.302 63 I CA -0.146 61.141 61.300 -0.021 0.000 1.196 63 I CB 0.097 38.049 38.000 -0.080 0.000 1.095 63 I HN 0.085 nan 8.210 nan 0.000 0.411 64 K N 3.512 123.921 120.400 0.015 0.000 2.258 64 K HA 0.284 4.683 4.320 0.131 0.000 0.264 64 K C -2.244 174.402 176.600 0.077 0.000 1.007 64 K CA -1.735 54.573 56.287 0.034 0.000 0.941 64 K CB -0.098 32.415 32.500 0.021 0.000 0.966 64 K HN -0.030 nan 8.250 nan 0.000 0.480 65 P HA -0.050 nan 4.420 nan 0.000 0.261 65 P C -0.419 177.051 177.300 0.284 0.000 1.203 65 P CA -0.012 63.185 63.100 0.162 0.000 0.767 65 P CB 0.295 32.081 31.700 0.144 0.000 0.785 66 V N 1.975 122.035 119.914 0.244 0.000 2.994 66 V HA 0.676 4.875 4.120 0.131 0.000 0.318 66 V C -2.668 173.630 176.094 0.339 0.000 1.085 66 V CA -3.395 59.065 62.300 0.267 0.000 0.998 66 V CB 1.179 33.105 31.823 0.173 0.000 1.063 66 V HN 0.177 nan 8.190 nan 0.000 0.447 67 P HA 0.181 nan 4.420 nan 0.000 0.268 67 P C -0.269 177.167 177.300 0.227 0.000 1.205 67 P CA 0.097 63.406 63.100 0.349 0.000 0.771 67 P CB 0.224 32.154 31.700 0.383 0.000 0.858 68 E N 1.441 121.748 120.200 0.178 0.000 2.437 68 E HA -0.028 4.400 4.350 0.131 0.000 0.263 68 E C 1.328 178.018 176.600 0.150 0.000 1.030 68 E CA -0.002 56.486 56.400 0.147 0.000 0.934 68 E CB 0.291 30.058 29.700 0.112 0.000 0.943 68 E HN 0.409 nan 8.360 nan 0.000 0.444 69 I N 3.094 123.745 120.570 0.135 0.000 2.286 69 I HA -0.319 3.929 4.170 0.131 0.000 0.248 69 I C 2.432 178.613 176.117 0.106 0.000 1.115 69 I CA 1.227 62.596 61.300 0.115 0.000 1.392 69 I CB -0.514 37.544 38.000 0.096 0.000 1.065 69 I HN 0.579 nan 8.210 nan 0.000 0.418 70 K N 1.668 122.131 120.400 0.105 0.000 2.113 70 K HA -0.194 4.205 4.320 0.131 0.000 0.208 70 K C 1.887 178.560 176.600 0.121 0.000 1.047 70 K CA 1.744 58.090 56.287 0.099 0.000 0.928 70 K CB -0.510 32.047 32.500 0.094 0.000 0.716 70 K HN 0.354 nan 8.250 nan 0.000 0.446 71 I N 1.295 121.955 120.570 0.149 0.000 2.500 71 I HA -0.170 4.079 4.170 0.131 0.000 0.252 71 I C 2.322 178.543 176.117 0.172 0.000 1.142 71 I CA 0.624 62.038 61.300 0.190 0.000 1.451 71 I CB -0.220 37.906 38.000 0.209 0.000 1.093 71 I HN 0.081 nan 8.210 nan 0.000 0.430 72 L N 0.571 121.886 121.223 0.153 0.000 2.027 72 L HA -0.224 4.195 4.340 0.131 0.000 0.206 72 L C 2.497 179.416 176.870 0.082 0.000 1.074 72 L CA 1.502 56.413 54.840 0.118 0.000 0.745 72 L CB -0.989 41.126 42.059 0.093 0.000 0.898 72 L HN 0.385 nan 8.230 nan 0.000 0.433 73 N N 0.594 119.340 118.700 0.077 0.000 2.036 73 N HA -0.251 4.568 4.740 0.131 0.000 0.195 73 N C 1.619 177.168 175.510 0.065 0.000 1.037 73 N CA 2.064 55.149 53.050 0.059 0.000 0.855 73 N CB -0.101 38.420 38.487 0.057 0.000 1.033 73 N HN 0.326 nan 8.380 nan 0.000 0.423 74 N N 0.915 119.668 118.700 0.088 0.000 2.043 74 N HA -0.105 4.714 4.740 0.131 0.000 0.193 74 N C 1.462 177.023 175.510 0.086 0.000 1.037 74 N CA 0.588 53.696 53.050 0.098 0.000 0.851 74 N CB -0.704 37.867 38.487 0.139 0.000 1.027 74 N HN 0.241 nan 8.380 nan 0.000 0.422 75 L N 0.980 122.251 121.223 0.079 0.000 2.642 75 L HA 0.057 4.476 4.340 0.131 0.000 0.236 75 L C 0.743 177.635 176.870 0.037 0.000 1.169 75 L CA 0.529 55.386 54.840 0.028 0.000 0.851 75 L CB -1.913 40.144 42.059 -0.004 0.000 0.968 75 L HN 0.306 nan 8.230 nan 0.000 0.453 76 G N 0.450 109.275 108.800 0.043 0.000 2.325 76 G HA2 -0.198 3.841 3.960 0.131 0.000 0.274 76 G HA3 -0.198 3.841 3.960 0.131 0.000 0.274 76 G C -0.019 174.896 174.900 0.026 0.000 0.921 76 G CA 0.386 45.506 45.100 0.033 0.000 1.340 76 G HN 0.167 nan 8.290 nan 0.000 0.447 77 V N 0.973 120.896 119.914 0.016 0.000 2.667 77 V HA 0.597 4.795 4.120 0.131 0.000 0.308 77 V C 0.649 176.714 176.094 -0.049 0.000 1.048 77 V CA -0.187 62.109 62.300 -0.008 0.000 0.928 77 V CB 2.044 33.863 31.823 -0.006 0.000 1.004 77 V HN 0.410 nan 8.190 nan 0.000 0.444 78 D N 1.584 121.934 120.400 -0.083 0.000 2.840 78 D HA 0.378 5.097 4.640 0.131 0.000 0.277 78 D C 0.108 176.262 176.300 -0.244 0.000 1.066 78 D CA 0.707 54.642 54.000 -0.108 0.000 0.979 78 D CB 0.498 41.261 40.800 -0.061 0.000 1.157 78 D HN 0.446 nan 8.370 nan 0.000 0.466 79 I N 0.160 120.559 120.570 -0.284 0.000 2.865 79 I HA 0.599 4.848 4.170 0.131 0.000 0.302 79 I C -0.870 175.030 176.117 -0.362 0.000 1.140 79 I CA -1.507 59.526 61.300 -0.445 0.000 1.021 79 I CB 2.265 40.153 38.000 -0.187 0.000 1.233 79 I HN -0.079 nan 8.210 nan 0.000 0.427 80 A N 2.787 125.403 122.820 -0.340 0.000 2.264 80 A HA 0.862 5.261 4.320 0.131 0.000 0.304 80 A C -0.128 177.354 177.584 -0.171 0.000 1.100 80 A CA -0.516 51.398 52.037 -0.205 0.000 0.839 80 A CB 1.057 20.009 19.000 -0.080 0.000 1.121 80 A HN 0.849 nan 8.150 nan 0.000 0.496 81 A N 1.492 124.169 122.820 -0.239 0.000 2.276 81 A HA 0.536 4.935 4.320 0.131 0.000 0.300 81 A C 0.434 177.971 177.584 -0.077 0.000 1.235 81 A CA -0.454 51.456 52.037 -0.211 0.000 0.867 81 A CB -0.548 18.242 19.000 -0.350 0.000 1.137 81 A HN 1.026 nan 8.150 nan 0.000 0.527 82 N N 0.670 119.352 118.700 -0.030 0.000 2.740 82 N HA -0.153 4.666 4.740 0.131 0.000 0.248 82 N C -0.108 175.406 175.510 0.007 0.000 1.062 82 N CA 1.499 54.548 53.050 -0.001 0.000 0.704 82 N CB -0.870 37.619 38.487 0.002 0.000 0.968 82 N HN 0.826 nan 8.380 nan 0.000 0.547 83 T N -1.316 113.255 114.554 0.028 0.000 2.700 83 T HA 0.451 4.880 4.350 0.131 0.000 0.307 83 T C -1.402 173.354 174.700 0.093 0.000 1.580 83 T CA -0.422 61.704 62.100 0.043 0.000 0.992 83 T CB 1.941 70.826 68.868 0.028 0.000 1.577 83 T HN -0.104 nan 8.240 nan 0.000 0.496 84 V N 2.555 122.520 119.914 0.086 0.000 2.715 84 V HA 0.634 4.833 4.120 0.131 0.000 0.310 84 V C -0.563 175.645 176.094 0.189 0.000 1.054 84 V CA -0.893 61.460 62.300 0.089 0.000 0.928 84 V CB 1.878 33.744 31.823 0.072 0.000 1.007 84 V HN 0.655 nan 8.190 nan 0.000 0.437 85 I N 2.700 123.449 120.570 0.299 0.000 2.339 85 I HA 0.266 4.515 4.170 0.131 0.000 0.290 85 I C -0.214 176.016 176.117 0.188 0.000 0.994 85 I CA -0.414 61.040 61.300 0.255 0.000 1.191 85 I CB 1.371 39.520 38.000 0.249 0.000 1.343 85 I HN 0.699 nan 8.210 nan 0.000 0.458 86 W N 5.912 127.185 121.300 -0.044 0.000 2.316 86 W HA 0.166 4.906 4.660 0.135 0.000 0.321 86 W C -0.180 176.241 176.519 -0.163 0.000 1.203 86 W CA -0.139 57.080 57.345 -0.209 0.000 1.214 86 W CB 1.501 30.639 29.460 -0.537 0.000 1.169 86 W HN 0.467 nan 8.180 nan 0.000 0.561 87 D N 4.790 124.767 120.400 -0.705 0.000 2.485 87 D HA 0.049 4.768 4.640 0.131 0.000 0.221 87 D C 0.435 176.623 176.300 -0.186 0.000 1.112 87 D CA -0.249 53.564 54.000 -0.311 0.000 0.911 87 D CB 0.134 40.771 40.800 -0.272 0.000 1.019 87 D HN 0.310 nan 8.370 nan 0.000 0.516 88 Y N 1.749 122.170 120.300 0.202 0.000 2.439 88 Y HA -0.014 4.610 4.550 0.125 0.000 0.292 88 Y C 2.403 178.408 175.900 0.176 0.000 1.130 88 Y CA 0.656 58.943 58.100 0.311 0.000 1.254 88 Y CB 0.291 38.932 38.460 0.302 0.000 1.000 88 Y HN 0.212 nan 8.280 nan 0.000 0.554 89 K N 0.014 120.564 120.400 0.251 0.000 2.296 89 K HA -0.020 4.379 4.320 0.131 0.000 0.200 89 K C 1.549 178.208 176.600 0.098 0.000 1.048 89 K CA 0.710 57.095 56.287 0.164 0.000 0.966 89 K CB 0.081 32.662 32.500 0.134 0.000 0.754 89 K HN 0.285 nan 8.250 nan 0.000 0.466 90 R N 0.393 120.920 120.500 0.045 0.000 2.397 90 R HA 0.051 4.470 4.340 0.131 0.000 0.241 90 R C -0.462 175.840 176.300 0.004 0.000 0.914 90 R CA -0.028 56.069 56.100 -0.005 0.000 1.071 90 R CB 0.628 30.884 30.300 -0.073 0.000 1.116 90 R HN 0.042 nan 8.270 nan 0.000 0.524 91 E N 0.600 120.844 120.200 0.073 0.000 2.160 91 E HA -0.226 4.203 4.350 0.131 0.000 0.180 91 E C -0.940 175.698 176.600 0.063 0.000 1.452 91 E CA 1.124 57.632 56.400 0.181 0.000 0.683 91 E CB -0.977 28.857 29.700 0.223 0.000 1.072 91 E HN 0.490 nan 8.360 nan 0.000 0.332 92 A N 0.626 123.247 122.820 -0.331 0.000 2.586 92 A HA 0.703 5.102 4.320 0.131 0.000 0.290 92 A C -2.824 173.849 177.584 -1.519 0.000 1.086 92 A CA -1.224 50.443 52.037 -0.616 0.000 0.665 92 A CB 1.767 20.578 19.000 -0.315 0.000 1.279 92 A HN -0.016 nan 8.150 nan 0.000 0.423 93 P HA 0.344 nan 4.420 nan 0.000 0.275 93 P C 0.782 177.721 177.300 -0.602 0.000 1.227 93 P CA 0.582 62.937 63.100 -1.241 0.000 0.781 93 P CB 1.281 32.597 31.700 -0.639 0.000 0.906 94 A N 3.096 125.685 122.820 -0.385 0.000 1.978 94 A HA -0.115 4.283 4.320 0.131 0.000 0.220 94 A C 1.082 178.681 177.584 0.025 0.000 1.170 94 A CA 1.371 53.346 52.037 -0.102 0.000 0.636 94 A CB -1.055 17.990 19.000 0.075 0.000 0.810 94 A HN 0.799 nan 8.150 nan 0.000 0.448 95 H N -4.349 114.644 119.070 -0.128 0.000 2.894 95 H HA 0.547 5.187 4.556 0.141 0.000 0.367 95 H C -0.600 174.691 175.328 -0.062 0.000 1.144 95 H CA -0.549 55.452 56.048 -0.078 0.000 1.180 95 H CB 1.153 30.886 29.762 -0.047 0.000 1.758 95 H HN -0.145 nan 8.280 nan 0.000 0.541 96 V N 1.679 121.581 119.914 -0.020 0.000 3.643 96 V HA 0.029 4.228 4.120 0.131 0.000 0.280 96 V C 0.538 176.633 176.094 0.001 0.000 1.351 96 V CA 0.827 63.096 62.300 -0.051 0.000 1.073 96 V CB 0.026 31.826 31.823 -0.038 0.000 0.863 96 V HN 0.796 nan 8.190 nan 0.000 0.436 97 S N 0.789 116.528 115.700 0.064 0.000 2.509 97 S HA 0.739 5.288 4.470 0.131 0.000 0.297 97 S C -0.088 174.602 174.600 0.149 0.000 1.118 97 S CA -0.438 57.809 58.200 0.077 0.000 1.074 97 S CB 1.845 65.082 63.200 0.060 0.000 1.038 97 S HN 0.445 nan 8.310 nan 0.000 0.498 98 T N -1.303 113.308 114.554 0.095 0.000 2.901 98 T HA 0.746 5.174 4.350 0.131 0.000 0.293 98 T C -0.748 173.989 174.700 0.063 0.000 1.084 98 T CA -0.880 61.282 62.100 0.104 0.000 1.008 98 T CB 0.736 69.635 68.868 0.052 0.000 1.170 98 T HN 0.565 nan 8.240 nan 0.000 0.509 99 I N 1.387 121.988 120.570 0.052 0.000 2.420 99 I HA 0.549 4.798 4.170 0.131 0.000 0.282 99 I C 0.968 177.097 176.117 0.020 0.000 1.019 99 I CA -0.487 60.825 61.300 0.020 0.000 1.130 99 I CB 1.300 39.291 38.000 -0.014 0.000 1.262 99 I HN 1.192 nan 8.210 nan 0.000 0.454 100 G N 3.984 112.797 108.800 0.022 0.000 2.295 100 G HA2 -0.179 3.859 3.960 0.131 0.000 0.287 100 G HA3 -0.179 3.859 3.960 0.131 0.000 0.287 100 G C 0.223 175.136 174.900 0.021 0.000 1.055 100 G CA 0.487 45.599 45.100 0.021 0.000 0.922 100 G HN 0.489 nan 8.290 nan 0.000 0.503 101 V N -1.584 118.345 119.914 0.025 0.000 3.103 101 V HA 0.386 4.585 4.120 0.131 0.000 0.229 101 V C 1.192 177.302 176.094 0.027 0.000 1.304 101 V CA 1.320 63.636 62.300 0.026 0.000 1.298 101 V CB 1.272 33.114 31.823 0.031 0.000 1.093 101 V HN 1.255 nan 8.190 nan 0.000 0.489 102 C N 0.347 119.665 119.300 0.029 0.000 2.752 102 C HA 0.467 5.006 4.460 0.131 0.000 0.360 102 C C 1.877 176.884 174.990 0.027 0.000 1.081 102 C CA 0.273 59.309 59.018 0.030 0.000 1.272 102 C CB 0.862 28.623 27.740 0.035 0.000 1.754 102 C HN 0.669 nan 8.230 nan 0.000 0.483 103 T N 2.655 117.225 114.554 0.026 0.000 2.881 103 T HA -0.115 4.314 4.350 0.131 0.000 0.270 103 T C 1.464 176.178 174.700 0.024 0.000 1.068 103 T CA 1.400 63.514 62.100 0.024 0.000 1.131 103 T CB -0.218 68.663 68.868 0.022 0.000 0.871 103 T HN 0.752 nan 8.240 nan 0.000 0.479 104 M N 1.804 121.420 119.600 0.026 0.000 2.562 104 M HA 0.059 4.618 4.480 0.131 0.000 0.257 104 M C 1.862 178.179 176.300 0.027 0.000 1.099 104 M CA 1.515 56.831 55.300 0.027 0.000 1.099 104 M CB -0.492 32.126 32.600 0.029 0.000 1.427 104 M HN 0.713 nan 8.290 nan 0.000 0.489 105 T N -5.399 109.170 114.554 0.026 0.000 3.041 105 T HA 0.149 4.578 4.350 0.131 0.000 0.276 105 T C 0.185 174.902 174.700 0.029 0.000 0.948 105 T CA -0.483 61.632 62.100 0.025 0.000 0.885 105 T CB 0.371 69.251 68.868 0.020 0.000 1.175 105 T HN -0.055 nan 8.240 nan 0.000 0.529 106 D N 2.447 122.864 120.400 0.028 0.000 2.401 106 D HA 0.217 4.936 4.640 0.131 0.000 0.254 106 D C 1.392 177.708 176.300 0.026 0.000 1.192 106 D CA -0.272 53.745 54.000 0.029 0.000 0.885 106 D CB 1.255 42.071 40.800 0.026 0.000 1.147 106 D HN 0.459 nan 8.370 nan 0.000 0.478 107 I N 0.624 121.211 120.570 0.027 0.000 3.059 107 I HA 0.273 4.522 4.170 0.131 0.000 0.270 107 I C 0.655 176.785 176.117 0.022 0.000 1.238 107 I CA 0.204 61.518 61.300 0.023 0.000 1.478 107 I CB -0.022 37.992 38.000 0.023 0.000 1.097 107 I HN 0.220 nan 8.210 nan 0.000 0.455 108 A N 0.160 122.994 122.820 0.022 0.000 2.594 108 A HA 0.533 4.932 4.320 0.131 0.000 0.296 108 A C 0.390 177.988 177.584 0.023 0.000 1.061 108 A CA -0.762 51.289 52.037 0.023 0.000 0.689 108 A CB 0.872 19.887 19.000 0.025 0.000 1.280 108 A HN 0.074 nan 8.150 nan 0.000 0.406 109 K N 0.216 120.630 120.400 0.023 0.000 2.057 109 K HA -0.013 4.386 4.320 0.131 0.000 0.206 109 K C 0.371 176.987 176.600 0.027 0.000 1.050 109 K CA 1.332 57.633 56.287 0.023 0.000 0.935 109 K CB -0.009 32.504 32.500 0.021 0.000 0.715 109 K HN 0.488 nan 8.250 nan 0.000 0.439 110 K N -0.408 120.011 120.400 0.033 0.000 2.422 110 K HA 0.160 4.559 4.320 0.131 0.000 0.251 110 K C -2.192 174.444 176.600 0.059 0.000 0.933 110 K CA -2.208 54.107 56.287 0.046 0.000 0.798 110 K CB 2.280 34.809 32.500 0.048 0.000 1.238 110 K HN -0.265 nan 8.250 nan 0.000 0.428 111 P HA -0.167 nan 4.420 nan 0.000 0.215 111 P C 0.464 177.860 177.300 0.160 0.000 1.157 111 P CA 1.265 64.428 63.100 0.106 0.000 0.868 111 P CB 0.058 31.845 31.700 0.145 0.000 0.788 112 T N 0.970 115.630 114.554 0.177 0.000 3.176 112 T HA 0.307 4.736 4.350 0.131 0.000 0.301 112 T C -0.714 174.026 174.700 0.067 0.000 1.115 112 T CA -0.329 61.843 62.100 0.121 0.000 1.027 112 T CB -1.228 67.690 68.868 0.083 0.000 1.063 112 T HN 0.231 nan 8.240 nan 0.000 0.669 113 E N 1.994 122.228 120.200 0.057 0.000 2.745 113 E HA 0.435 4.864 4.350 0.131 0.000 0.306 113 E C 0.133 176.752 176.600 0.032 0.000 1.090 113 E CA -0.514 55.908 56.400 0.036 0.000 0.893 113 E CB -0.116 29.603 29.700 0.031 0.000 1.205 113 E HN 0.446 nan 8.360 nan 0.000 0.438 114 S N 1.088 116.802 115.700 0.023 0.000 2.970 114 S HA -0.320 4.229 4.470 0.131 0.000 0.626 114 S C 1.155 175.768 174.600 0.022 0.000 3.107 114 S CA 0.402 58.614 58.200 0.019 0.000 3.861 114 S CB -1.659 61.550 63.200 0.016 0.000 0.359 114 S HN 2.107 nan 8.310 nan 0.000 1.476 115 A N 0.283 123.114 122.820 0.018 0.000 3.093 115 A HA 0.419 4.818 4.320 0.131 0.000 0.287 115 A C 1.137 178.733 177.584 0.020 0.000 1.952 115 A CA 0.601 52.649 52.037 0.018 0.000 1.421 115 A CB -1.748 17.261 19.000 0.015 0.000 0.943 115 A HN 1.998 nan 8.150 nan 0.000 0.599 116 C N -1.048 118.266 119.300 0.024 0.000 5.627 116 C HA 0.075 4.614 4.460 0.131 0.000 0.377 116 C C 2.023 177.036 174.990 0.039 0.000 1.099 116 C CA 0.848 59.883 59.018 0.028 0.000 2.312 116 C CB -0.822 26.937 27.740 0.032 0.000 2.431 116 C HN 0.544 nan 8.230 nan 0.000 0.437 117 S N 1.322 117.047 115.700 0.041 0.000 2.603 117 S HA -0.021 4.528 4.470 0.131 0.000 0.220 117 S C 1.826 176.451 174.600 0.041 0.000 0.967 117 S CA 1.312 59.542 58.200 0.050 0.000 0.920 117 S CB 0.005 63.228 63.200 0.039 0.000 0.773 117 S HN 0.905 nan 8.310 nan 0.000 0.529 118 S N 1.289 117.008 115.700 0.031 0.000 2.395 118 S HA 0.145 4.694 4.470 0.131 0.000 0.225 118 S C 0.682 175.299 174.600 0.030 0.000 1.027 118 S CA 0.090 58.306 58.200 0.026 0.000 0.965 118 S CB -0.492 62.720 63.200 0.019 0.000 0.812 118 S HN 0.368 nan 8.310 nan 0.000 0.482 119 L N 1.828 123.067 121.223 0.027 0.000 2.439 119 L HA 0.363 4.782 4.340 0.131 0.000 0.261 119 L C -0.009 176.880 176.870 0.033 0.000 1.153 119 L CA -0.525 54.328 54.840 0.021 0.000 0.808 119 L CB 0.352 42.414 42.059 0.005 0.000 1.126 119 L HN 0.022 nan 8.230 nan 0.000 0.460 120 T N 1.860 116.429 114.554 0.026 0.000 2.723 120 T HA 0.319 4.748 4.350 0.131 0.000 0.297 120 T C -0.013 174.689 174.700 0.003 0.000 0.925 120 T CA -0.325 61.804 62.100 0.048 0.000 1.030 120 T CB 0.726 69.625 68.868 0.051 0.000 0.905 120 T HN 0.216 nan 8.240 nan 0.000 0.502 121 V N 5.372 125.297 119.914 0.017 0.000 2.439 121 V HA 0.316 4.515 4.120 0.131 0.000 0.282 121 V C 0.311 176.267 176.094 -0.230 0.000 1.039 121 V CA -0.982 61.206 62.300 -0.186 0.000 0.913 121 V CB 1.665 33.281 31.823 -0.345 0.000 0.983 121 V HN 0.674 nan 8.190 nan 0.000 0.460 122 L N 5.973 127.022 121.223 -0.291 0.000 2.325 122 L HA 0.446 4.865 4.340 0.131 0.000 0.284 122 L C -1.061 175.601 176.870 -0.347 0.000 1.089 122 L CA 0.244 54.965 54.840 -0.200 0.000 0.836 122 L CB 0.260 42.231 42.059 -0.146 0.000 1.184 122 L HN 0.501 nan 8.230 nan 0.000 0.444 123 F N 3.441 123.346 119.950 -0.075 0.000 2.404 123 F HA 0.266 4.871 4.527 0.129 0.000 0.354 123 F C 0.523 176.215 175.800 -0.181 0.000 1.122 123 F CA -0.602 57.342 58.000 -0.094 0.000 1.080 123 F CB 1.134 40.103 39.000 -0.051 0.000 1.131 123 F HN 0.435 nan 8.300 nan 0.000 0.471 124 D N 1.928 122.318 120.400 -0.015 0.000 2.177 124 D HA 0.318 5.037 4.640 0.131 0.000 0.247 124 D C 0.867 177.116 176.300 -0.084 0.000 1.063 124 D CA -0.243 53.681 54.000 -0.127 0.000 0.867 124 D CB 2.013 42.725 40.800 -0.147 0.000 1.168 124 D HN 0.643 nan 8.370 nan 0.000 0.445 125 G N 3.141 111.855 108.800 -0.142 0.000 2.545 125 G HA2 -0.138 3.901 3.960 0.131 0.000 0.212 125 G HA3 -0.138 3.901 3.960 0.131 0.000 0.212 125 G C 1.085 175.938 174.900 -0.078 0.000 1.144 125 G CA -0.216 44.823 45.100 -0.102 0.000 0.813 125 G HN 0.596 nan 8.290 nan 0.000 0.531 126 R N 0.774 121.215 120.500 -0.098 0.000 2.386 126 R HA 0.099 4.518 4.340 0.131 0.000 0.216 126 R C -0.430 175.844 176.300 -0.044 0.000 1.119 126 R CA 0.260 56.323 56.100 -0.061 0.000 1.158 126 R CB -0.793 29.472 30.300 -0.059 0.000 1.057 126 R HN 0.262 nan 8.270 nan 0.000 0.489 127 V N -1.428 118.462 119.914 -0.039 0.000 2.577 127 V HA 0.391 4.590 4.120 0.131 0.000 0.303 127 V C -0.536 175.552 176.094 -0.010 0.000 1.042 127 V CA -1.463 60.825 62.300 -0.020 0.000 0.872 127 V CB 2.041 33.855 31.823 -0.015 0.000 0.998 127 V HN -0.040 nan 8.190 nan 0.000 0.423 128 E N 2.796 122.992 120.200 -0.007 0.000 2.373 128 E HA 0.612 5.041 4.350 0.131 0.000 0.263 128 E C 1.089 177.693 176.600 0.007 0.000 1.073 128 E CA 1.584 57.981 56.400 -0.004 0.000 0.894 128 E CB 1.122 30.818 29.700 -0.007 0.000 1.008 128 E HN 1.365 nan 8.360 nan 0.000 0.420 129 G N 3.074 111.878 108.800 0.006 0.000 3.211 129 G HA2 -0.334 3.705 3.960 0.131 0.000 0.206 129 G HA3 -0.334 3.705 3.960 0.131 0.000 0.206 129 G C 1.143 176.060 174.900 0.027 0.000 1.418 129 G CA 0.388 45.497 45.100 0.016 0.000 0.958 129 G HN 0.500 nan 8.290 nan 0.000 0.567 130 Q N 0.738 120.571 119.800 0.055 0.000 2.118 130 Q HA -0.200 4.219 4.340 0.131 0.000 0.211 130 Q C 2.913 178.943 176.000 0.050 0.000 0.998 130 Q CA 2.605 58.479 55.803 0.119 0.000 0.872 130 Q CB -0.616 28.198 28.738 0.125 0.000 0.925 130 Q HN 0.715 nan 8.270 nan 0.000 0.414 131 V N 1.254 121.164 119.914 -0.006 0.000 2.324 131 V HA -0.251 3.948 4.120 0.131 0.000 0.250 131 V C 1.946 178.011 176.094 -0.049 0.000 1.060 131 V CA 2.152 64.424 62.300 -0.048 0.000 1.042 131 V CB -0.667 31.118 31.823 -0.063 0.000 0.650 131 V HN 0.276 nan 8.190 nan 0.000 0.450 132 D N -0.150 120.220 120.400 -0.050 0.000 2.269 132 D HA -0.053 4.665 4.640 0.131 0.000 0.208 132 D C 1.863 178.098 176.300 -0.108 0.000 0.963 132 D CA 0.844 54.804 54.000 -0.067 0.000 0.864 132 D CB -0.105 40.668 40.800 -0.044 0.000 0.936 132 D HN 0.446 nan 8.370 nan 0.000 0.505 133 L N -0.642 120.507 121.223 -0.124 0.000 2.341 133 L HA 0.030 4.449 4.340 0.131 0.000 0.214 133 L C 2.006 178.551 176.870 -0.542 0.000 1.115 133 L CA 0.144 54.870 54.840 -0.191 0.000 0.820 133 L CB -0.409 41.659 42.059 0.016 0.000 0.944 133 L HN 0.017 nan 8.230 nan 0.000 0.452 134 F N 2.269 121.708 119.950 -0.851 0.000 2.146 134 F HA -0.171 4.437 4.527 0.134 0.000 0.298 134 F C 2.710 178.234 175.800 -0.459 0.000 1.096 134 F CA 1.394 58.823 58.000 -0.951 0.000 1.275 134 F CB -0.194 38.418 39.000 -0.647 0.000 1.008 134 F HN 0.004 nan 8.300 nan 0.000 0.480 135 R N -0.008 120.214 120.500 -0.464 0.000 2.316 135 R HA 0.006 4.425 4.340 0.131 0.000 0.202 135 R C 1.140 177.245 176.300 -0.324 0.000 1.029 135 R CA 1.410 57.242 56.100 -0.446 0.000 1.018 135 R CB -0.790 29.363 30.300 -0.246 0.000 0.888 135 R HN 0.351 nan 8.270 nan 0.000 0.471 136 N N 0.523 119.054 118.700 -0.282 0.000 2.407 136 N HA 0.102 4.921 4.740 0.131 0.000 0.182 136 N C 0.110 175.524 175.510 -0.160 0.000 1.079 136 N CA 0.382 53.323 53.050 -0.182 0.000 0.882 136 N CB 0.672 39.087 38.487 -0.118 0.000 1.106 136 N HN 0.221 nan 8.380 nan 0.000 0.461 137 A N 1.329 124.028 122.820 -0.202 0.000 2.332 137 A HA 0.273 4.672 4.320 0.131 0.000 0.258 137 A C 1.236 178.761 177.584 -0.098 0.000 1.087 137 A CA -0.313 51.676 52.037 -0.080 0.000 0.802 137 A CB 1.165 20.201 19.000 0.058 0.000 1.042 137 A HN 0.088 nan 8.150 nan 0.000 0.489 138 R N 0.271 120.760 120.500 -0.018 0.000 2.082 138 R HA -0.040 4.378 4.340 0.131 0.000 0.218 138 R C -0.393 175.912 176.300 0.007 0.000 1.171 138 R CA 1.139 57.226 56.100 -0.021 0.000 0.914 138 R CB -0.389 29.913 30.300 0.003 0.000 0.806 138 R HN 0.840 nan 8.270 nan 0.000 0.453 139 N N -0.134 118.604 118.700 0.064 0.000 2.426 139 N HA 0.419 5.238 4.740 0.131 0.000 0.275 139 N C -0.600 175.025 175.510 0.192 0.000 1.019 139 N CA 0.101 53.209 53.050 0.098 0.000 0.941 139 N CB 1.941 40.473 38.487 0.075 0.000 1.123 139 N HN 0.475 nan 8.380 nan 0.000 0.486 140 G N -0.587 108.369 108.800 0.260 0.000 2.519 140 G HA2 0.443 4.482 3.960 0.131 0.000 0.292 140 G HA3 0.443 4.482 3.960 0.131 0.000 0.292 140 G C -1.756 173.425 174.900 0.468 0.000 1.507 140 G CA -0.523 44.831 45.100 0.424 0.000 0.806 140 G HN 0.338 nan 8.290 nan 0.000 0.523 141 V N 0.501 120.631 119.914 0.361 0.000 2.769 141 V HA 0.842 5.041 4.120 0.131 0.000 0.312 141 V C -0.189 175.927 176.094 0.036 0.000 1.058 141 V CA -0.879 61.542 62.300 0.202 0.000 0.952 141 V CB 1.837 33.733 31.823 0.121 0.000 1.019 141 V HN 0.881 nan 8.190 nan 0.000 0.445 142 L N 4.778 125.860 121.223 -0.234 0.000 2.436 142 L HA 0.746 5.165 4.340 0.131 0.000 0.268 142 L C -1.084 175.649 176.870 -0.228 0.000 0.974 142 L CA -0.540 54.069 54.840 -0.385 0.000 0.826 142 L CB 1.768 43.156 42.059 -1.119 0.000 1.291 142 L HN 0.784 nan 8.230 nan 0.000 0.406 143 I N 1.428 121.810 120.570 -0.313 0.000 2.562 143 I HA 0.872 5.120 4.170 0.131 0.000 0.301 143 I C -0.502 175.420 176.117 -0.326 0.000 1.003 143 I CA -0.226 60.806 61.300 -0.448 0.000 1.127 143 I CB 2.174 39.690 38.000 -0.806 0.000 1.304 143 I HN 0.655 nan 8.210 nan 0.000 0.446 144 T N 0.064 114.506 114.554 -0.187 0.000 2.821 144 T HA 0.359 4.787 4.350 0.131 0.000 0.306 144 T C -0.085 174.648 174.700 0.055 0.000 1.313 144 T CA -0.682 61.373 62.100 -0.074 0.000 1.012 144 T CB 1.832 70.718 68.868 0.029 0.000 1.298 144 T HN 0.831 nan 8.240 nan 0.000 0.502 145 E N -0.091 120.158 120.200 0.081 0.000 2.481 145 E HA 0.458 4.887 4.350 0.131 0.000 0.198 145 E C 0.860 177.528 176.600 0.113 0.000 1.027 145 E CA -0.624 55.873 56.400 0.161 0.000 0.900 145 E CB 0.454 30.258 29.700 0.173 0.000 0.993 145 E HN 0.798 nan 8.360 nan 0.000 0.482 146 G N 0.977 109.836 108.800 0.098 0.000 2.921 146 G HA2 0.398 4.437 3.960 0.131 0.000 0.291 146 G HA3 0.398 4.437 3.960 0.131 0.000 0.291 146 G C -0.764 174.210 174.900 0.123 0.000 1.370 146 G CA -0.523 44.631 45.100 0.091 0.000 0.847 146 G HN 0.134 nan 8.290 nan 0.000 0.532 147 S N -1.472 114.294 115.700 0.109 0.000 2.617 147 S HA 0.684 5.233 4.470 0.131 0.000 0.269 147 S C -0.441 174.201 174.600 0.071 0.000 1.292 147 S CA -0.546 57.737 58.200 0.139 0.000 1.010 147 S CB 1.708 64.978 63.200 0.117 0.000 0.944 147 S HN 0.721 nan 8.310 nan 0.000 0.536 148 V N 2.092 122.032 119.914 0.044 0.000 2.588 148 V HA 0.403 4.602 4.120 0.131 0.000 0.304 148 V C 0.227 176.289 176.094 -0.053 0.000 1.042 148 V CA -1.063 61.186 62.300 -0.085 0.000 0.877 148 V CB 1.880 33.505 31.823 -0.331 0.000 0.996 148 V HN 0.978 nan 8.190 nan 0.000 0.425 149 K N 2.608 122.982 120.400 -0.045 0.000 2.440 149 K HA 0.082 4.481 4.320 0.131 0.000 0.275 149 K C 1.273 177.862 176.600 -0.019 0.000 1.082 149 K CA 1.398 57.672 56.287 -0.021 0.000 1.135 149 K CB -0.131 32.355 32.500 -0.024 0.000 0.864 149 K HN 1.246 nan 8.250 nan 0.000 0.479 150 G N 3.216 112.022 108.800 0.009 0.000 2.234 150 G HA2 -0.276 3.763 3.960 0.131 0.000 0.260 150 G HA3 -0.276 3.763 3.960 0.131 0.000 0.260 150 G C 0.148 175.076 174.900 0.047 0.000 0.987 150 G CA 0.304 45.416 45.100 0.019 0.000 0.625 150 G HN 0.522 nan 8.290 nan 0.000 0.532 151 L N 1.550 122.810 121.223 0.062 0.000 2.360 151 L HA 0.637 5.055 4.340 0.131 0.000 0.271 151 L C 0.993 178.019 176.870 0.260 0.000 1.057 151 L CA -0.297 54.637 54.840 0.156 0.000 0.803 151 L CB 1.655 43.776 42.059 0.104 0.000 1.207 151 L HN 0.294 nan 8.230 nan 0.000 0.445 152 T N -0.559 114.165 114.554 0.284 0.000 2.767 152 T HA 0.526 4.955 4.350 0.131 0.000 0.288 152 T C -2.282 172.564 174.700 0.243 0.000 0.963 152 T CA -1.620 60.618 62.100 0.229 0.000 1.019 152 T CB 1.161 70.111 68.868 0.136 0.000 0.923 152 T HN 0.317 nan 8.240 nan 0.000 0.468 153 P HA 0.423 nan 4.420 nan 0.000 0.278 153 P C -0.880 176.341 177.300 -0.132 0.000 1.266 153 P CA -0.701 62.277 63.100 -0.204 0.000 0.807 153 P CB 0.912 32.591 31.700 -0.035 0.000 1.094 154 S N -0.523 115.078 115.700 -0.165 0.000 2.707 154 S HA 0.331 4.880 4.470 0.131 0.000 0.303 154 S C -0.153 174.535 174.600 0.146 0.000 1.132 154 S CA -1.016 57.215 58.200 0.052 0.000 1.046 154 S CB 0.770 64.062 63.200 0.154 0.000 1.004 154 S HN 0.151 nan 8.310 nan 0.000 0.483 155 K N 2.743 123.224 120.400 0.135 0.000 2.466 155 K HA 0.124 4.523 4.320 0.131 0.000 0.278 155 K C 1.086 177.788 176.600 0.171 0.000 1.048 155 K CA 0.469 56.840 56.287 0.140 0.000 1.088 155 K CB 0.049 32.610 32.500 0.102 0.000 0.884 155 K HN 0.890 nan 8.250 nan 0.000 0.478 156 G N 4.421 113.304 108.800 0.138 0.000 2.553 156 G HA2 0.253 4.292 3.960 0.131 0.000 0.278 156 G HA3 0.253 4.292 3.960 0.131 0.000 0.278 156 G C -2.362 172.134 174.900 -0.673 0.000 1.349 156 G CA -0.863 44.147 45.100 -0.150 0.000 1.037 156 G HN 0.319 nan 8.290 nan 0.000 0.508 157 P HA 0.289 nan 4.420 nan 0.000 0.275 157 P C 0.647 177.739 177.300 -0.347 0.000 1.228 157 P CA 0.261 62.905 63.100 -0.760 0.000 0.786 157 P CB 1.283 32.603 31.700 -0.633 0.000 0.927 158 A N 2.575 125.268 122.820 -0.211 0.000 1.884 158 A HA -0.230 4.169 4.320 0.131 0.000 0.219 158 A C 0.882 178.354 177.584 -0.186 0.000 1.197 158 A CA 1.768 53.711 52.037 -0.157 0.000 0.637 158 A CB -1.307 17.640 19.000 -0.089 0.000 0.827 158 A HN 0.709 nan 8.150 nan 0.000 0.450 159 Q N -1.431 118.276 119.800 -0.155 0.000 2.407 159 Q HA 0.672 5.091 4.340 0.131 0.000 0.214 159 Q C -0.209 175.689 176.000 -0.169 0.000 1.043 159 Q CA 0.366 56.089 55.803 -0.132 0.000 0.983 159 Q CB 0.499 29.194 28.738 -0.072 0.000 1.211 159 Q HN 0.705 nan 8.270 nan 0.000 0.564 160 A N -0.107 122.645 122.820 -0.113 0.000 2.610 160 A HA 0.621 5.020 4.320 0.131 0.000 0.291 160 A C -1.152 176.438 177.584 0.011 0.000 1.086 160 A CA -0.706 51.296 52.037 -0.058 0.000 0.677 160 A CB 1.609 20.534 19.000 -0.124 0.000 1.278 160 A HN 0.530 nan 8.150 nan 0.000 0.414 161 S N 0.036 115.781 115.700 0.075 0.000 2.499 161 S HA 0.510 5.058 4.470 0.131 0.000 0.275 161 S C -0.725 173.919 174.600 0.074 0.000 1.257 161 S CA -0.244 58.005 58.200 0.082 0.000 1.050 161 S CB 0.147 63.433 63.200 0.144 0.000 0.937 161 S HN 1.099 nan 8.310 nan 0.000 0.490 162 V N 7.434 127.358 119.914 0.017 0.000 2.326 162 V HA 0.347 4.546 4.120 0.131 0.000 0.281 162 V C -0.020 176.029 176.094 -0.075 0.000 1.015 162 V CA -0.900 61.399 62.300 -0.000 0.000 0.823 162 V CB 0.838 32.655 31.823 -0.010 0.000 1.009 162 V HN 1.060 nan 8.190 nan 0.000 0.436 163 N N 4.903 123.567 118.700 -0.060 0.000 2.722 163 N HA -0.251 4.568 4.740 0.131 0.000 0.274 163 N C 1.251 176.297 175.510 -0.773 0.000 0.987 163 N CA 1.196 54.106 53.050 -0.232 0.000 0.817 163 N CB -0.520 37.899 38.487 -0.114 0.000 0.921 163 N HN 1.363 nan 8.380 nan 0.000 0.565 164 G N -2.327 105.945 108.800 -0.880 0.000 2.176 164 G HA2 -0.304 3.734 3.960 0.131 0.000 0.253 164 G HA3 -0.304 3.734 3.960 0.131 0.000 0.253 164 G C -0.033 174.715 174.900 -0.253 0.000 0.979 164 G CA 0.268 44.896 45.100 -0.787 0.000 0.641 164 G HN 0.462 nan 8.290 nan 0.000 0.530 165 V N 1.468 121.279 119.914 -0.172 0.000 2.349 165 V HA 0.620 4.818 4.120 0.131 0.000 0.284 165 V C 0.605 176.677 176.094 -0.036 0.000 1.014 165 V CA 0.053 62.306 62.300 -0.079 0.000 0.826 165 V CB 1.458 33.235 31.823 -0.076 0.000 1.009 165 V HN 0.491 nan 8.190 nan 0.000 0.431 166 T N 7.431 121.979 114.554 -0.009 0.000 2.779 166 T HA 0.646 5.074 4.350 0.131 0.000 0.296 166 T C -0.638 174.051 174.700 -0.018 0.000 0.938 166 T CA -0.003 62.098 62.100 0.001 0.000 1.119 166 T CB -0.132 68.751 68.868 0.025 0.000 0.891 166 T HN 0.722 nan 8.240 nan 0.000 0.526 167 L N 3.329 124.533 121.223 -0.030 0.000 2.622 167 L HA 0.688 5.107 4.340 0.131 0.000 0.258 167 L C -1.495 175.340 176.870 -0.059 0.000 0.996 167 L CA -1.339 53.475 54.840 -0.043 0.000 0.858 167 L CB 1.809 43.844 42.059 -0.039 0.000 1.449 167 L HN 0.487 nan 8.230 nan 0.000 0.411 168 I N 2.445 122.978 120.570 -0.062 0.000 2.287 168 I HA 0.361 4.610 4.170 0.131 0.000 0.290 168 I C 1.015 177.094 176.117 -0.063 0.000 1.069 168 I CA -0.184 61.072 61.300 -0.072 0.000 1.237 168 I CB 0.989 38.949 38.000 -0.067 0.000 1.418 168 I HN 0.789 nan 8.210 nan 0.000 0.481 169 G N 4.406 113.163 108.800 -0.071 0.000 2.365 169 G HA2 0.265 4.304 3.960 0.131 0.000 0.249 169 G HA3 0.265 4.304 3.960 0.131 0.000 0.249 169 G C 0.455 175.329 174.900 -0.042 0.000 1.288 169 G CA -0.182 44.886 45.100 -0.052 0.000 0.887 169 G HN 0.805 nan 8.290 nan 0.000 0.524 170 E N -0.053 120.129 120.200 -0.030 0.000 2.603 170 E HA 0.023 4.452 4.350 0.131 0.000 0.224 170 E C 1.839 178.430 176.600 -0.015 0.000 0.896 170 E CA 0.525 56.912 56.400 -0.023 0.000 1.224 170 E CB 0.272 29.959 29.700 -0.022 0.000 1.206 170 E HN 0.434 nan 8.360 nan 0.000 0.576 171 S N -0.424 115.267 115.700 -0.015 0.000 2.458 171 S HA 0.239 4.788 4.470 0.131 0.000 0.223 171 S C 0.827 175.424 174.600 -0.005 0.000 1.019 171 S CA 0.194 58.389 58.200 -0.010 0.000 0.937 171 S CB 0.330 63.524 63.200 -0.010 0.000 0.788 171 S HN 0.136 nan 8.310 nan 0.000 0.511 172 V N 0.840 120.750 119.914 -0.007 0.000 3.007 172 V HA 0.506 4.704 4.120 0.131 0.000 0.311 172 V C -1.678 174.415 176.094 -0.000 0.000 1.120 172 V CA -1.296 61.006 62.300 0.004 0.000 0.980 172 V CB 2.187 34.016 31.823 0.009 0.000 1.033 172 V HN 0.219 nan 8.190 nan 0.000 0.429 173 K N 2.333 122.746 120.400 0.022 0.000 2.349 173 K HA 0.335 4.734 4.320 0.131 0.000 0.289 173 K C 0.749 177.345 176.600 -0.005 0.000 1.064 173 K CA 0.640 56.939 56.287 0.020 0.000 0.947 173 K CB 0.953 33.495 32.500 0.070 0.000 1.007 173 K HN 0.934 nan 8.250 nan 0.000 0.478 174 T N -0.617 113.847 114.554 -0.149 0.000 2.969 174 T HA -0.007 4.422 4.350 0.131 0.000 0.250 174 T C 0.633 174.854 174.700 -0.799 0.000 1.021 174 T CA -0.220 61.659 62.100 -0.368 0.000 1.003 174 T CB 0.255 68.983 68.868 -0.234 0.000 1.040 174 T HN 0.436 nan 8.240 nan 0.000 0.492 175 Q N 0.862 120.371 119.800 -0.484 0.000 2.294 175 Q HA 0.472 4.891 4.340 0.131 0.000 0.257 175 Q C -1.258 174.553 176.000 -0.316 0.000 0.955 175 Q CA -0.505 55.035 55.803 -0.439 0.000 0.936 175 Q CB 0.349 28.971 28.738 -0.193 0.000 1.188 175 Q HN 0.468 nan 8.270 nan 0.000 0.420 176 F N 1.674 121.619 119.950 -0.008 0.000 2.461 176 F HA 0.443 5.035 4.527 0.108 0.000 0.332 176 F C 0.413 176.210 175.800 -0.005 0.000 1.073 176 F CA -1.341 56.619 58.000 -0.066 0.000 1.017 176 F CB 1.015 39.858 39.000 -0.263 0.000 1.301 176 F HN 0.448 nan 8.300 nan 0.000 0.492 177 N N 0.151 118.947 118.700 0.160 0.000 2.400 177 N HA 0.311 5.129 4.740 0.131 0.000 0.288 177 N C -1.465 173.923 175.510 -0.202 0.000 1.024 177 N CA -0.629 52.438 53.050 0.028 0.000 0.894 177 N CB 1.066 39.571 38.487 0.029 0.000 1.173 177 N HN 0.364 nan 8.380 nan 0.000 0.487 178 Y N 1.076 121.142 120.300 -0.390 0.000 2.453 178 Y HA 0.612 5.227 4.550 0.108 0.000 0.326 178 Y C -0.339 175.063 175.900 -0.830 0.000 1.186 178 Y CA -0.460 57.413 58.100 -0.379 0.000 1.200 178 Y CB 1.074 39.422 38.460 -0.188 0.000 1.247 178 Y HN 0.338 nan 8.280 nan 0.000 0.482 179 F N 0.617 120.590 119.950 0.038 0.000 2.628 179 F HA 0.497 5.104 4.527 0.133 0.000 0.309 179 F C -0.571 175.276 175.800 0.079 0.000 1.108 179 F CA -1.186 56.835 58.000 0.036 0.000 0.971 179 F CB 2.151 41.107 39.000 -0.073 0.000 1.279 179 F HN 0.167 nan 8.300 nan 0.000 0.441 180 K N 2.312 122.936 120.400 0.372 0.000 2.469 180 K HA 0.667 5.066 4.320 0.131 0.000 0.254 180 K C -1.668 175.125 176.600 0.320 0.000 0.939 180 K CA -0.884 55.593 56.287 0.316 0.000 0.812 180 K CB 2.406 34.987 32.500 0.135 0.000 1.301 180 K HN 0.718 nan 8.250 nan 0.000 0.433 181 K N 1.785 122.348 120.400 0.272 0.000 2.422 181 K HA 0.551 4.950 4.320 0.131 0.000 0.251 181 K C -1.409 175.241 176.600 0.085 0.000 0.933 181 K CA -0.998 55.357 56.287 0.113 0.000 0.798 181 K CB 2.408 34.892 32.500 -0.028 0.000 1.238 181 K HN 0.233 nan 8.250 nan 0.000 0.428 182 V N 1.435 121.376 119.914 0.045 0.000 2.760 182 V HA 0.198 4.397 4.120 0.131 0.000 0.309 182 V C -0.204 175.899 176.094 0.014 0.000 1.077 182 V CA -0.871 61.451 62.300 0.036 0.000 0.910 182 V CB 1.698 33.544 31.823 0.038 0.000 1.008 182 V HN 0.954 nan 8.190 nan 0.000 0.424 183 D N 2.958 123.365 120.400 0.011 0.000 3.070 183 D HA -0.248 4.470 4.640 0.131 0.000 0.220 183 D C 1.212 177.503 176.300 -0.014 0.000 1.176 183 D CA 1.901 55.902 54.000 0.001 0.000 0.924 183 D CB -1.119 39.684 40.800 0.004 0.000 1.124 183 D HN 1.590 nan 8.370 nan 0.000 0.411 184 G N -0.414 108.368 108.800 -0.029 0.000 2.278 184 G HA2 -0.251 3.788 3.960 0.131 0.000 0.210 184 G HA3 -0.251 3.788 3.960 0.131 0.000 0.210 184 G C 0.249 175.109 174.900 -0.066 0.000 1.000 184 G CA -0.030 45.035 45.100 -0.058 0.000 0.635 184 G HN 0.437 nan 8.290 nan 0.000 0.495 185 I N 3.923 124.473 120.570 -0.035 0.000 2.365 185 I HA 0.413 4.662 4.170 0.131 0.000 0.291 185 I C 0.836 176.949 176.117 -0.006 0.000 1.004 185 I CA -1.283 60.005 61.300 -0.021 0.000 1.311 185 I CB 0.940 38.940 38.000 -0.001 0.000 1.401 185 I HN -0.052 nan 8.210 nan 0.000 0.491 186 I N 5.255 125.823 120.570 -0.003 0.000 2.710 186 I HA 0.057 4.306 4.170 0.131 0.000 0.286 186 I C 0.410 176.570 176.117 0.071 0.000 1.181 186 I CA 0.125 61.458 61.300 0.055 0.000 1.430 186 I CB -0.421 37.623 38.000 0.072 0.000 1.367 186 I HN 0.627 nan 8.210 nan 0.000 0.577 187 Q N 4.287 124.147 119.800 0.100 0.000 2.301 187 Q HA 0.355 4.774 4.340 0.131 0.000 0.267 187 Q C -0.423 175.629 176.000 0.086 0.000 1.035 187 Q CA -0.868 54.982 55.803 0.079 0.000 0.856 187 Q CB 2.221 31.001 28.738 0.069 0.000 1.337 187 Q HN 0.583 nan 8.270 nan 0.000 0.450 188 Q N 1.959 121.799 119.800 0.067 0.000 2.295 188 Q HA 0.313 4.732 4.340 0.131 0.000 0.259 188 Q C -1.000 175.036 176.000 0.061 0.000 0.976 188 Q CA -0.174 55.668 55.803 0.065 0.000 0.923 188 Q CB 0.483 29.253 28.738 0.053 0.000 1.185 188 Q HN 0.515 nan 8.270 nan 0.000 0.410 189 L N 6.818 128.080 121.223 0.066 0.000 2.380 189 L HA 0.365 4.784 4.340 0.131 0.000 0.273 189 L C -1.647 175.293 176.870 0.116 0.000 1.138 189 L CA -2.003 52.887 54.840 0.082 0.000 0.832 189 L CB 0.415 42.510 42.059 0.060 0.000 1.124 189 L HN 0.702 nan 8.230 nan 0.000 0.454 190 P HA -0.010 nan 4.420 nan 0.000 0.269 190 P C -0.639 176.664 177.300 0.005 0.000 1.217 190 P CA -0.300 62.837 63.100 0.061 0.000 0.783 190 P CB 0.628 32.364 31.700 0.060 0.000 0.898 191 E N 0.356 120.509 120.200 -0.079 0.000 2.316 191 E HA 0.302 4.731 4.350 0.131 0.000 0.275 191 E C -0.550 175.847 176.600 -0.337 0.000 1.029 191 E CA 0.307 56.597 56.400 -0.182 0.000 0.871 191 E CB 0.164 29.761 29.700 -0.171 0.000 1.022 191 E HN 0.318 nan 8.360 nan 0.000 0.418 192 T N 2.742 116.970 114.554 -0.544 0.000 2.906 192 T HA 0.421 4.850 4.350 0.131 0.000 0.295 192 T C -0.936 173.184 174.700 -0.966 0.000 1.061 192 T CA -0.629 60.990 62.100 -0.801 0.000 1.000 192 T CB 0.425 68.527 68.868 -1.276 0.000 1.103 192 T HN 0.249 nan 8.240 nan 0.000 0.486 193 Y N 0.281 120.238 120.300 -0.571 0.000 2.335 193 Y HA 0.643 5.268 4.550 0.126 0.000 0.323 193 Y C -0.204 175.282 175.900 -0.690 0.000 1.224 193 Y CA -0.918 56.903 58.100 -0.464 0.000 1.241 193 Y CB 0.899 39.241 38.460 -0.196 0.000 1.235 193 Y HN 0.517 nan 8.280 nan 0.000 0.492 194 F N 0.013 119.986 119.950 0.038 0.000 2.522 194 F HA 0.416 5.003 4.527 0.100 0.000 0.324 194 F C 0.214 176.020 175.800 0.010 0.000 1.077 194 F CA -1.164 56.816 58.000 -0.033 0.000 0.944 194 F CB 1.833 40.781 39.000 -0.087 0.000 1.175 194 F HN 0.393 nan 8.300 nan 0.000 0.468 195 T N -0.712 113.959 114.554 0.196 0.000 2.899 195 T HA 0.113 4.542 4.350 0.131 0.000 0.295 195 T C 0.661 175.420 174.700 0.098 0.000 1.033 195 T CA -0.799 61.367 62.100 0.109 0.000 1.084 195 T CB 1.302 70.219 68.868 0.081 0.000 0.979 195 T HN 0.463 nan 8.240 nan 0.000 0.532 196 Q N 0.485 120.325 119.800 0.066 0.000 2.331 196 Q HA 0.084 4.503 4.340 0.131 0.000 0.203 196 Q C 1.116 177.138 176.000 0.035 0.000 0.944 196 Q CA 0.724 56.552 55.803 0.043 0.000 0.892 196 Q CB -0.278 28.474 28.738 0.024 0.000 0.983 196 Q HN 0.962 nan 8.270 nan 0.000 0.482 197 S N -0.120 115.616 115.700 0.060 0.000 3.315 197 S HA -0.162 4.387 4.470 0.131 0.000 0.283 197 S C -0.017 174.621 174.600 0.064 0.000 1.279 197 S CA 0.519 58.758 58.200 0.065 0.000 0.984 197 S CB -0.996 62.233 63.200 0.047 0.000 1.184 197 S HN 0.406 nan 8.310 nan 0.000 0.653 198 R N 1.941 122.488 120.500 0.078 0.000 2.389 198 R HA 0.276 4.695 4.340 0.131 0.000 0.295 198 R C -0.155 176.226 176.300 0.134 0.000 1.075 198 R CA -0.405 55.747 56.100 0.087 0.000 1.005 198 R CB 0.321 30.671 30.300 0.084 0.000 0.987 198 R HN 0.234 nan 8.270 nan 0.000 0.452 199 D N 2.411 122.867 120.400 0.094 0.000 2.362 199 D HA -0.041 4.678 4.640 0.131 0.000 0.242 199 D C 1.188 177.553 176.300 0.108 0.000 1.132 199 D CA -0.128 53.911 54.000 0.064 0.000 0.907 199 D CB 1.118 41.941 40.800 0.038 0.000 1.195 199 D HN 0.350 nan 8.370 nan 0.000 0.429 200 L N 1.247 122.474 121.223 0.006 0.000 2.072 200 L HA -0.193 4.226 4.340 0.131 0.000 0.205 200 L C 2.248 179.141 176.870 0.037 0.000 1.079 200 L CA 1.300 56.136 54.840 -0.008 0.000 0.752 200 L CB -0.151 41.817 42.059 -0.152 0.000 0.906 200 L HN 0.481 nan 8.230 nan 0.000 0.436 201 E N 0.953 121.154 120.200 0.003 0.000 2.136 201 E HA -0.301 4.128 4.350 0.131 0.000 0.202 201 E C 0.346 176.966 176.600 0.034 0.000 1.019 201 E CA 1.957 58.362 56.400 0.009 0.000 0.819 201 E CB -0.634 29.067 29.700 0.002 0.000 0.739 201 E HN 0.764 nan 8.360 nan 0.000 0.458 202 D N -0.896 119.535 120.400 0.052 0.000 2.963 202 D HA 0.163 4.882 4.640 0.131 0.000 0.361 202 D C -0.829 175.506 176.300 0.058 0.000 1.317 202 D CA -0.688 53.337 54.000 0.042 0.000 0.832 202 D CB -0.328 40.478 40.800 0.010 0.000 1.135 202 D HN 0.121 nan 8.370 nan 0.000 0.476 203 F N 2.006 121.931 119.950 -0.041 0.000 2.506 203 F HA 0.325 4.929 4.527 0.128 0.000 0.351 203 F C 0.469 176.249 175.800 -0.034 0.000 1.136 203 F CA 0.150 58.124 58.000 -0.043 0.000 1.298 203 F CB 0.782 39.749 39.000 -0.054 0.000 1.145 203 F HN 0.044 nan 8.300 nan 0.000 0.593 204 K N 7.892 127.861 120.400 -0.719 0.000 2.589 204 K HA 0.376 4.775 4.320 0.131 0.000 0.253 204 K C -3.185 173.092 176.600 -0.538 0.000 0.974 204 K CA -1.652 54.392 56.287 -0.405 0.000 0.835 204 K CB 1.975 34.330 32.500 -0.242 0.000 1.272 204 K HN 0.272 nan 8.250 nan 0.000 0.444 205 P HA 0.137 nan 4.420 nan 0.000 0.271 205 P C -0.755 176.462 177.300 -0.138 0.000 1.233 205 P CA -0.318 62.693 63.100 -0.148 0.000 0.789 205 P CB 0.535 32.230 31.700 -0.009 0.000 0.951 206 R N -0.471 119.977 120.500 -0.088 0.000 2.615 206 R HA 0.320 4.739 4.340 0.131 0.000 0.448 206 R C -0.106 176.181 176.300 -0.021 0.000 1.009 206 R CA -0.178 55.883 56.100 -0.065 0.000 1.111 206 R CB 0.359 30.610 30.300 -0.082 0.000 1.461 206 R HN 0.694 nan 8.270 nan 0.000 0.587 207 S N -1.745 113.955 115.700 0.001 0.000 2.595 207 S HA 0.056 4.605 4.470 0.131 0.000 0.270 207 S C 0.194 174.831 174.600 0.061 0.000 1.145 207 S CA -0.839 57.378 58.200 0.029 0.000 0.825 207 S CB 1.842 65.057 63.200 0.025 0.000 1.107 207 S HN -0.048 nan 8.310 nan 0.000 0.461 208 Q N 0.749 120.603 119.800 0.090 0.000 2.135 208 Q HA -0.059 4.360 4.340 0.131 0.000 0.204 208 Q C 1.952 178.071 176.000 0.199 0.000 0.981 208 Q CA 2.581 58.468 55.803 0.139 0.000 0.856 208 Q CB -0.416 28.416 28.738 0.156 0.000 0.902 208 Q HN 0.784 nan 8.270 nan 0.000 0.425 209 M N -0.250 119.448 119.600 0.163 0.000 2.067 209 M HA -0.208 4.351 4.480 0.131 0.000 0.260 209 M C 1.639 178.005 176.300 0.110 0.000 1.069 209 M CA 1.920 57.267 55.300 0.078 0.000 1.117 209 M CB -0.101 32.411 32.600 -0.147 0.000 1.334 209 M HN 0.220 nan 8.290 nan 0.000 0.407 210 E N -0.831 119.398 120.200 0.048 0.000 2.118 210 E HA -0.174 4.255 4.350 0.131 0.000 0.195 210 E C 1.849 178.523 176.600 0.123 0.000 0.992 210 E CA 1.780 58.214 56.400 0.056 0.000 0.804 210 E CB -0.374 29.347 29.700 0.035 0.000 0.741 210 E HN 0.577 nan 8.360 nan 0.000 0.458 211 T N 1.821 116.443 114.554 0.114 0.000 2.569 211 T HA -0.160 4.269 4.350 0.131 0.000 0.263 211 T C 1.419 176.205 174.700 0.143 0.000 1.074 211 T CA 1.663 63.830 62.100 0.112 0.000 1.176 211 T CB -0.463 68.463 68.868 0.095 0.000 0.863 211 T HN 0.125 nan 8.240 nan 0.000 0.410 212 D N 0.613 121.146 120.400 0.222 0.000 2.149 212 D HA -0.124 4.595 4.640 0.131 0.000 0.194 212 D C 1.752 178.198 176.300 0.242 0.000 1.001 212 D CA 0.954 55.136 54.000 0.304 0.000 0.849 212 D CB -0.556 40.563 40.800 0.532 0.000 0.939 212 D HN 0.340 nan 8.370 nan 0.000 0.449 213 F N 1.157 121.056 119.950 -0.086 0.000 2.126 213 F HA -0.153 4.454 4.527 0.133 0.000 0.299 213 F C 2.166 177.800 175.800 -0.277 0.000 1.096 213 F CA 1.123 58.762 58.000 -0.602 0.000 1.255 213 F CB -0.296 38.183 39.000 -0.869 0.000 0.997 213 F HN -0.110 nan 8.300 nan 0.000 0.479 214 L N -0.129 121.005 121.223 -0.148 0.000 2.156 214 L HA -0.131 4.288 4.340 0.131 0.000 0.208 214 L C 2.430 179.223 176.870 -0.128 0.000 1.095 214 L CA 0.933 55.673 54.840 -0.166 0.000 0.770 214 L CB -0.629 41.430 42.059 -0.001 0.000 0.914 214 L HN 0.124 nan 8.230 nan 0.000 0.439 215 E N -0.045 120.127 120.200 -0.046 0.000 2.011 215 E HA -0.030 4.399 4.350 0.131 0.000 0.191 215 E C 0.834 177.423 176.600 -0.017 0.000 0.980 215 E CA 0.179 56.574 56.400 -0.009 0.000 0.814 215 E CB -0.341 29.386 29.700 0.045 0.000 0.775 215 E HN 0.088 nan 8.360 nan 0.000 0.454 216 L N 1.594 122.839 121.223 0.036 0.000 2.529 216 L HA 0.013 4.432 4.340 0.131 0.000 0.287 216 L C 0.797 177.663 176.870 -0.008 0.000 1.241 216 L CA 0.154 55.039 54.840 0.075 0.000 0.857 216 L CB -0.425 41.781 42.059 0.245 0.000 1.113 216 L HN 0.086 nan 8.230 nan 0.000 0.504 217 A N 4.163 126.991 122.820 0.012 0.000 2.310 217 A HA 0.152 4.551 4.320 0.131 0.000 0.260 217 A C 1.418 179.007 177.584 0.010 0.000 1.112 217 A CA 0.012 52.032 52.037 -0.028 0.000 0.804 217 A CB 0.108 19.094 19.000 -0.022 0.000 1.081 217 A HN 0.918 nan 8.150 nan 0.000 0.499 218 M N -0.508 119.040 119.600 -0.088 0.000 2.163 218 M HA -0.266 4.293 4.480 0.131 0.000 0.258 218 M C 1.399 177.746 176.300 0.080 0.000 1.071 218 M CA 2.908 58.118 55.300 -0.150 0.000 1.093 218 M CB -0.668 31.658 32.600 -0.457 0.000 1.285 218 M HN 0.899 nan 8.290 nan 0.000 0.420 219 D N -0.324 120.099 120.400 0.038 0.000 2.117 219 D HA -0.175 4.544 4.640 0.131 0.000 0.197 219 D C 1.766 178.145 176.300 0.131 0.000 0.987 219 D CA 1.631 55.680 54.000 0.082 0.000 0.829 219 D CB -0.261 40.562 40.800 0.038 0.000 0.961 219 D HN 0.547 nan 8.370 nan 0.000 0.460 220 E N -0.490 119.788 120.200 0.130 0.000 2.106 220 E HA -0.139 4.290 4.350 0.131 0.000 0.192 220 E C 1.622 178.351 176.600 0.215 0.000 0.984 220 E CA 0.403 56.886 56.400 0.138 0.000 0.806 220 E CB -0.138 29.631 29.700 0.114 0.000 0.750 220 E HN 0.276 nan 8.360 nan 0.000 0.458 221 F N 1.163 121.213 119.950 0.167 0.000 2.186 221 F HA -0.092 4.513 4.527 0.131 0.000 0.299 221 F C 1.861 177.844 175.800 0.305 0.000 1.090 221 F CA 1.099 59.265 58.000 0.277 0.000 1.307 221 F CB 0.057 39.252 39.000 0.324 0.000 1.019 221 F HN -0.095 nan 8.300 nan 0.000 0.489 222 I N -0.200 120.562 120.570 0.319 0.000 2.493 222 I HA -0.250 3.999 4.170 0.131 0.000 0.254 222 I C 1.959 178.149 176.117 0.121 0.000 1.160 222 I CA 1.138 62.587 61.300 0.248 0.000 1.445 222 I CB -0.543 37.683 38.000 0.376 0.000 1.086 222 I HN 0.242 nan 8.210 nan 0.000 0.433 223 Q N 0.065 119.919 119.800 0.089 0.000 2.376 223 Q HA -0.022 4.396 4.340 0.131 0.000 0.206 223 Q C 2.226 178.204 176.000 -0.036 0.000 0.921 223 Q CA 0.261 56.088 55.803 0.040 0.000 0.911 223 Q CB 0.214 28.980 28.738 0.048 0.000 1.032 223 Q HN 0.398 nan 8.270 nan 0.000 0.510 224 R N -0.287 120.159 120.500 -0.089 0.000 2.100 224 R HA -0.066 4.353 4.340 0.131 0.000 0.220 224 R C 0.531 176.563 176.300 -0.447 0.000 1.091 224 R CA 1.023 56.969 56.100 -0.256 0.000 0.986 224 R CB 0.233 30.363 30.300 -0.284 0.000 0.888 224 R HN 0.178 nan 8.270 nan 0.000 0.444 225 Y N 0.849 120.957 120.300 -0.320 0.000 2.625 225 Y HA 0.278 4.907 4.550 0.133 0.000 0.285 225 Y C -0.259 175.536 175.900 -0.175 0.000 1.168 225 Y CA -0.351 57.568 58.100 -0.302 0.000 1.250 225 Y CB 0.273 38.422 38.460 -0.518 0.000 1.130 225 Y HN -0.022 nan 8.280 nan 0.000 0.526 226 K N 1.002 121.394 120.400 -0.013 0.000 3.730 226 K HA -0.222 4.177 4.320 0.131 0.000 0.276 226 K C -0.168 176.510 176.600 0.131 0.000 0.904 226 K CA 0.249 56.567 56.287 0.052 0.000 0.741 226 K CB -1.167 31.353 32.500 0.034 0.000 1.542 226 K HN 0.547 nan 8.250 nan 0.000 0.446 227 L N 0.157 121.481 121.223 0.168 0.000 2.858 227 L HA 0.160 4.579 4.340 0.131 0.000 0.251 227 L C 0.877 178.062 176.870 0.525 0.000 1.149 227 L CA -0.338 54.673 54.840 0.285 0.000 0.955 227 L CB 0.361 42.454 42.059 0.057 0.000 1.289 227 L HN 0.327 nan 8.230 nan 0.000 0.542 228 E N 1.063 121.472 120.200 0.348 0.000 2.414 228 E HA 0.128 4.557 4.350 0.131 0.000 0.263 228 E C 0.749 177.483 176.600 0.223 0.000 1.000 228 E CA 0.848 57.419 56.400 0.285 0.000 0.914 228 E CB 0.469 30.271 29.700 0.169 0.000 0.948 228 E HN 0.310 nan 8.360 nan 0.000 0.444 229 G N 3.180 112.083 108.800 0.172 0.000 2.212 229 G HA2 -0.282 3.757 3.960 0.131 0.000 0.255 229 G HA3 -0.282 3.757 3.960 0.131 0.000 0.255 229 G C -0.692 174.198 174.900 -0.018 0.000 1.062 229 G CA 0.407 45.533 45.100 0.043 0.000 0.815 229 G HN 0.480 nan 8.290 nan 0.000 0.497 230 Y N -1.609 118.806 120.300 0.191 0.000 2.805 230 Y HA 0.727 5.357 4.550 0.133 0.000 0.321 230 Y C 1.498 177.470 175.900 0.120 0.000 1.203 230 Y CA 0.181 58.413 58.100 0.221 0.000 1.165 230 Y CB 0.858 39.548 38.460 0.383 0.000 1.371 230 Y HN 0.180 nan 8.280 nan 0.000 0.564 231 A N 0.464 123.525 122.820 0.402 0.000 1.865 231 A HA -0.007 4.392 4.320 0.131 0.000 0.216 231 A C 1.824 179.402 177.584 -0.009 0.000 1.315 231 A CA 1.242 53.406 52.037 0.212 0.000 0.605 231 A CB -1.434 17.737 19.000 0.284 0.000 0.984 231 A HN 1.026 nan 8.150 nan 0.000 0.470 232 F N 0.274 120.373 119.950 0.249 0.000 1.919 232 F HA -0.456 4.149 4.527 0.131 0.000 0.254 232 F C 1.277 177.183 175.800 0.178 0.000 1.013 232 F CA 2.365 60.513 58.000 0.246 0.000 1.517 232 F CB -1.582 37.581 39.000 0.270 0.000 0.954 232 F HN 0.435 nan 8.300 nan 0.000 0.446 233 E N 0.149 119.989 120.200 -0.601 0.000 2.241 233 E HA -0.457 3.972 4.350 0.131 0.000 0.244 233 E C 2.015 178.623 176.600 0.014 0.000 1.070 233 E CA 2.340 58.605 56.400 -0.225 0.000 0.998 233 E CB -0.630 28.932 29.700 -0.230 0.000 0.879 233 E HN 0.864 nan 8.360 nan 0.000 0.501 234 H N -0.762 118.121 119.070 -0.312 0.000 2.353 234 H HA -0.093 4.542 4.556 0.131 0.000 0.300 234 H C 2.022 177.158 175.328 -0.320 0.000 1.090 234 H CA 1.722 57.524 56.048 -0.410 0.000 1.327 234 H CB -0.133 29.096 29.762 -0.889 0.000 1.383 234 H HN 0.223 nan 8.280 nan 0.000 0.508 235 I N -0.381 120.010 120.570 -0.298 0.000 2.567 235 I HA -0.175 4.074 4.170 0.131 0.000 0.257 235 I C 1.805 177.836 176.117 -0.143 0.000 1.184 235 I CA 0.656 61.862 61.300 -0.156 0.000 1.451 235 I CB 0.074 38.107 38.000 0.055 0.000 1.089 235 I HN 0.250 nan 8.210 nan 0.000 0.441 236 V N -1.481 118.356 119.914 -0.128 0.000 2.788 236 V HA -0.087 4.112 4.120 0.131 0.000 0.241 236 V C 1.599 177.452 176.094 -0.401 0.000 1.083 236 V CA 1.053 63.173 62.300 -0.299 0.000 1.103 236 V CB -0.280 31.385 31.823 -0.263 0.000 0.800 236 V HN 0.247 nan 8.190 nan 0.000 0.476 237 Y N 0.549 120.817 120.300 -0.053 0.000 2.269 237 Y HA 0.564 5.194 4.550 0.134 0.000 0.279 237 Y C 1.521 177.288 175.900 -0.222 0.000 1.118 237 Y CA 0.836 58.883 58.100 -0.089 0.000 1.145 237 Y CB -0.549 37.897 38.460 -0.022 0.000 1.081 237 Y HN 0.301 nan 8.280 nan 0.000 0.501 248 L N 1.668 122.785 121.223 -0.177 0.000 2.322 248 L HA 0.791 5.210 4.340 0.131 0.000 0.279 248 L C -0.756 175.873 176.870 -0.402 0.000 1.036 248 L CA -0.912 53.787 54.840 -0.235 0.000 0.807 248 L CB 1.409 43.398 42.059 -0.115 0.000 1.226 248 L HN 0.481 nan 8.230 nan 0.000 0.433 249 H N 4.288 123.287 119.070 -0.118 0.000 2.622 249 H HA 0.396 5.031 4.556 0.131 0.000 0.363 249 H C -1.089 174.085 175.328 -0.257 0.000 1.151 249 H CA -0.747 55.188 56.048 -0.189 0.000 1.184 249 H CB 2.348 32.016 29.762 -0.157 0.000 1.643 249 H HN 0.409 nan 8.280 nan 0.000 0.531 250 L N 2.707 123.807 121.223 -0.205 0.000 2.264 250 L HA 0.115 4.533 4.340 0.131 0.000 0.289 250 L C 1.577 178.258 176.870 -0.316 0.000 1.044 250 L CA -0.241 54.376 54.840 -0.371 0.000 0.807 250 L CB 0.907 42.587 42.059 -0.632 0.000 1.192 250 L HN 0.703 nan 8.230 nan 0.000 0.425 251 M N 4.729 124.172 119.600 -0.261 0.000 2.089 251 M HA -0.245 4.314 4.480 0.131 0.000 0.257 251 M C 1.571 177.575 176.300 -0.494 0.000 1.071 251 M CA 2.049 57.179 55.300 -0.285 0.000 1.096 251 M CB -0.380 32.126 32.600 -0.157 0.000 1.330 251 M HN 0.712 nan 8.290 nan 0.000 0.403 252 I N -0.183 120.109 120.570 -0.464 0.000 2.226 252 I HA -0.183 4.066 4.170 0.131 0.000 0.245 252 I C 2.093 177.986 176.117 -0.374 0.000 1.100 252 I CA 1.990 62.974 61.300 -0.526 0.000 1.374 252 I CB -1.496 36.381 38.000 -0.206 0.000 1.057 252 I HN 0.501 nan 8.210 nan 0.000 0.413 253 G N 0.567 109.164 108.800 -0.338 0.000 2.422 253 G HA2 -0.235 3.804 3.960 0.131 0.000 0.218 253 G HA3 -0.235 3.804 3.960 0.131 0.000 0.218 253 G C 1.601 176.355 174.900 -0.244 0.000 1.140 253 G CA 0.324 45.307 45.100 -0.195 0.000 0.775 253 G HN 0.373 nan 8.290 nan 0.000 0.545 254 L N 0.819 121.849 121.223 -0.322 0.000 2.217 254 L HA 0.265 4.683 4.340 0.131 0.000 0.211 254 L C 2.996 179.681 176.870 -0.307 0.000 1.107 254 L CA 1.437 56.092 54.840 -0.308 0.000 0.783 254 L CB -0.210 41.673 42.059 -0.294 0.000 0.919 254 L HN 0.242 nan 8.230 nan 0.000 0.442 255 A N -0.825 121.747 122.820 -0.414 0.000 1.930 255 A HA -0.179 4.220 4.320 0.131 0.000 0.215 255 A C 2.335 179.783 177.584 -0.227 0.000 1.176 255 A CA 1.388 53.183 52.037 -0.404 0.000 0.632 255 A CB -0.369 18.146 19.000 -0.808 0.000 0.819 255 A HN 0.394 nan 8.150 nan 0.000 0.445 256 K N -0.341 119.942 120.400 -0.195 0.000 2.148 256 K HA -0.048 4.351 4.320 0.131 0.000 0.204 256 K C 2.076 178.585 176.600 -0.152 0.000 1.050 256 K CA 1.182 57.367 56.287 -0.170 0.000 0.942 256 K CB -0.168 32.177 32.500 -0.260 0.000 0.724 256 K HN 0.321 nan 8.250 nan 0.000 0.446 257 R N 0.024 120.433 120.500 -0.152 0.000 2.276 257 R HA 0.029 4.448 4.340 0.131 0.000 0.203 257 R C 1.870 178.100 176.300 -0.116 0.000 1.017 257 R CA 0.755 56.778 56.100 -0.128 0.000 1.010 257 R CB 0.020 30.230 30.300 -0.149 0.000 0.900 257 R HN 0.173 nan 8.270 nan 0.000 0.469 258 S N 0.376 116.001 115.700 -0.125 0.000 2.414 258 S HA -0.076 4.473 4.470 0.131 0.000 0.227 258 S C 1.522 176.077 174.600 -0.074 0.000 1.022 258 S CA 0.795 58.934 58.200 -0.101 0.000 0.958 258 S CB 0.182 63.316 63.200 -0.112 0.000 0.797 258 S HN 0.395 nan 8.310 nan 0.000 0.493 259 Q N 0.547 120.303 119.800 -0.073 0.000 2.224 259 Q HA -0.037 4.382 4.340 0.131 0.000 0.203 259 Q C 0.223 176.191 176.000 -0.054 0.000 0.970 259 Q CA 0.944 56.713 55.803 -0.056 0.000 0.865 259 Q CB -0.113 28.591 28.738 -0.058 0.000 0.922 259 Q HN 0.437 nan 8.270 nan 0.000 0.445 260 D N -0.159 120.203 120.400 -0.063 0.000 2.359 260 D HA 0.096 4.815 4.640 0.131 0.000 0.230 260 D C -0.844 175.425 176.300 -0.052 0.000 1.118 260 D CA -0.259 53.708 54.000 -0.055 0.000 0.844 260 D CB 0.542 41.306 40.800 -0.060 0.000 1.059 260 D HN -0.067 nan 8.370 nan 0.000 0.493 261 S N 3.455 119.130 115.700 -0.041 0.000 3.386 261 S HA -0.134 4.415 4.470 0.131 0.000 0.403 261 S C -2.307 172.269 174.600 -0.041 0.000 0.893 261 S CA -0.262 57.917 58.200 -0.036 0.000 1.336 261 S CB -1.193 61.987 63.200 -0.032 0.000 0.925 261 S HN 0.619 nan 8.310 nan 0.000 0.589 262 P HA 0.052 nan 4.420 nan 0.000 0.257 262 P C -0.026 177.250 177.300 -0.041 0.000 1.153 262 P CA 0.588 63.662 63.100 -0.042 0.000 0.762 262 P CB 0.278 31.959 31.700 -0.032 0.000 0.743 263 L N 3.410 124.601 121.223 -0.054 0.000 2.331 263 L HA 0.680 5.099 4.340 0.131 0.000 0.268 263 L C 0.742 177.583 176.870 -0.048 0.000 1.015 263 L CA -0.786 54.025 54.840 -0.048 0.000 0.807 263 L CB 1.194 43.215 42.059 -0.064 0.000 1.293 263 L HN 0.261 nan 8.230 nan 0.000 0.451 264 K N 0.921 121.302 120.400 -0.030 0.000 2.469 264 K HA 0.811 5.209 4.320 0.131 0.000 0.254 264 K C -1.776 174.815 176.600 -0.015 0.000 0.939 264 K CA -0.798 55.470 56.287 -0.032 0.000 0.812 264 K CB 1.970 34.461 32.500 -0.016 0.000 1.301 264 K HN 0.541 nan 8.250 nan 0.000 0.433 265 L N 1.127 122.317 121.223 -0.056 0.000 2.346 265 L HA 0.599 5.018 4.340 0.131 0.000 0.276 265 L C -0.818 176.084 176.870 0.053 0.000 1.006 265 L CA -0.825 53.991 54.840 -0.039 0.000 0.817 265 L CB 1.883 43.722 42.059 -0.367 0.000 1.272 265 L HN 0.744 nan 8.230 nan 0.000 0.421 266 E N 1.525 121.860 120.200 0.225 0.000 2.278 266 E HA 0.180 4.609 4.350 0.131 0.000 0.272 266 E C -1.606 175.243 176.600 0.415 0.000 0.890 266 E CA -0.698 55.864 56.400 0.270 0.000 0.770 266 E CB 1.951 31.754 29.700 0.172 0.000 1.212 266 E HN 0.613 nan 8.360 nan 0.000 0.415 267 D N 4.450 125.098 120.400 0.413 0.000 2.338 267 D HA -0.009 4.710 4.640 0.131 0.000 0.255 267 D C 0.557 177.035 176.300 0.297 0.000 1.237 267 D CA -0.135 54.047 54.000 0.302 0.000 0.883 267 D CB 0.675 41.571 40.800 0.160 0.000 1.087 267 D HN 0.473 nan 8.370 nan 0.000 0.485 268 F N 1.641 121.680 119.950 0.149 0.000 2.154 268 F HA -0.139 4.466 4.527 0.130 0.000 0.301 268 F C 1.080 176.923 175.800 0.072 0.000 1.087 268 F CA 0.754 58.833 58.000 0.131 0.000 1.274 268 F CB 0.289 39.393 39.000 0.172 0.000 1.009 268 F HN 0.333 nan 8.300 nan 0.000 0.485 269 I N 0.008 120.657 120.570 0.133 0.000 2.495 269 I HA 0.326 4.574 4.170 0.131 0.000 0.277 269 I C -2.858 173.267 176.117 0.013 0.000 1.045 269 I CA -2.127 59.186 61.300 0.021 0.000 1.135 269 I CB 0.791 38.812 38.000 0.035 0.000 1.241 269 I HN -0.193 nan 8.210 nan 0.000 0.469 270 P HA 0.458 nan 4.420 nan 0.000 0.274 270 P C -0.450 176.860 177.300 0.017 0.000 1.504 270 P CA -0.137 62.980 63.100 0.028 0.000 1.011 270 P CB 1.196 32.923 31.700 0.047 0.000 1.366 271 M N 1.982 121.588 119.600 0.010 0.000 2.461 271 M HA 0.536 5.094 4.480 0.131 0.000 0.253 271 M C -1.148 175.171 176.300 0.032 0.000 0.930 271 M CA -0.513 54.796 55.300 0.015 0.000 1.313 271 M CB 1.450 34.052 32.600 0.003 0.000 1.437 271 M HN -0.080 nan 8.290 nan 0.000 0.713 272 D N 0.584 121.005 120.400 0.035 0.000 2.389 272 D HA 0.428 5.147 4.640 0.131 0.000 0.256 272 D C -1.939 174.386 176.300 0.042 0.000 1.239 272 D CA 0.144 54.175 54.000 0.052 0.000 0.925 272 D CB 1.307 42.153 40.800 0.077 0.000 1.145 272 D HN 0.422 nan 8.370 nan 0.000 0.542 273 S N 1.684 117.399 115.700 0.024 0.000 2.482 273 S HA 0.343 4.892 4.470 0.131 0.000 0.303 273 S C 1.240 175.855 174.600 0.025 0.000 1.091 273 S CA -0.519 57.691 58.200 0.015 0.000 1.057 273 S CB 1.443 64.632 63.200 -0.019 0.000 1.031 273 S HN 0.419 nan 8.310 nan 0.000 0.485 274 T N 2.296 116.871 114.554 0.036 0.000 2.759 274 T HA -0.034 4.395 4.350 0.131 0.000 0.269 274 T C 0.422 175.130 174.700 0.013 0.000 1.042 274 T CA 1.162 63.287 62.100 0.041 0.000 1.140 274 T CB 0.004 68.902 68.868 0.050 0.000 0.864 274 T HN 0.445 nan 8.240 nan 0.000 0.455 275 V N 1.748 121.658 119.914 -0.006 0.000 2.378 275 V HA 0.564 4.762 4.120 0.131 0.000 0.288 275 V C -0.332 175.727 176.094 -0.059 0.000 1.016 275 V CA -1.078 61.202 62.300 -0.033 0.000 0.840 275 V CB 1.651 33.451 31.823 -0.038 0.000 0.994 275 V HN 0.062 nan 8.190 nan 0.000 0.431 276 K N 3.784 124.124 120.400 -0.099 0.000 2.259 276 K HA 0.511 4.910 4.320 0.131 0.000 0.249 276 K C -0.362 176.039 176.600 -0.331 0.000 0.942 276 K CA -0.510 55.634 56.287 -0.239 0.000 0.816 276 K CB 1.439 33.729 32.500 -0.350 0.000 1.155 276 K HN 0.706 nan 8.250 nan 0.000 0.428 277 N N 2.586 121.077 118.700 -0.349 0.000 2.498 277 N HA 0.251 5.070 4.740 0.131 0.000 0.287 277 N C -1.161 174.094 175.510 -0.424 0.000 1.097 277 N CA -0.172 52.719 53.050 -0.265 0.000 0.973 277 N CB 1.009 39.425 38.487 -0.118 0.000 1.153 277 N HN 0.424 nan 8.380 nan 0.000 0.472 278 Y N 0.160 120.482 120.300 0.036 0.000 2.477 278 Y HA 0.306 4.935 4.550 0.132 0.000 0.347 278 Y C -0.421 175.518 175.900 0.065 0.000 0.981 278 Y CA -0.971 57.175 58.100 0.076 0.000 1.033 278 Y CB 1.827 40.324 38.460 0.061 0.000 1.245 278 Y HN 0.419 nan 8.280 nan 0.000 0.455 279 F N 4.401 124.472 119.950 0.202 0.000 2.472 279 F HA 0.390 4.995 4.527 0.130 0.000 0.364 279 F C -0.353 175.496 175.800 0.081 0.000 1.090 279 F CA -0.116 57.937 58.000 0.087 0.000 1.188 279 F CB 0.197 39.216 39.000 0.032 0.000 1.105 279 F HN 0.299 nan 8.300 nan 0.000 0.536 280 I N 5.592 126.350 120.570 0.314 0.000 2.355 280 I HA 0.269 4.518 4.170 0.131 0.000 0.288 280 I C 0.021 176.275 176.117 0.229 0.000 0.999 280 I CA -0.014 61.407 61.300 0.202 0.000 1.163 280 I CB 1.696 39.744 38.000 0.079 0.000 1.316 280 I HN 0.529 nan 8.210 nan 0.000 0.454 281 T N 3.827 118.479 114.554 0.163 0.000 2.838 281 T HA 0.288 4.717 4.350 0.131 0.000 0.292 281 T C -0.912 173.811 174.700 0.038 0.000 1.113 281 T CA -0.424 61.738 62.100 0.103 0.000 1.008 281 T CB 1.992 70.915 68.868 0.092 0.000 1.259 281 T HN 0.504 nan 8.240 nan 0.000 0.520 282 D N -0.035 120.376 120.400 0.020 0.000 2.507 282 D HA 0.572 5.291 4.640 0.131 0.000 0.280 282 D C 0.184 176.481 176.300 -0.006 0.000 1.219 282 D CA -0.342 53.657 54.000 -0.001 0.000 1.085 282 D CB 1.170 41.968 40.800 -0.002 0.000 1.134 282 D HN 0.587 nan 8.370 nan 0.000 0.583 283 A N 0.644 123.457 122.820 -0.011 0.000 3.019 283 A HA 0.322 4.721 4.320 0.131 0.000 0.262 283 A C -0.060 177.519 177.584 -0.009 0.000 1.509 283 A CA 0.108 52.138 52.037 -0.011 0.000 1.159 283 A CB -0.982 18.010 19.000 -0.013 0.000 1.042 283 A HN 0.494 nan 8.150 nan 0.000 0.641 291 V N 3.881 123.596 119.914 -0.332 0.000 2.311 291 V HA 0.444 4.643 4.120 0.131 0.000 0.275 291 V C 0.298 176.315 176.094 -0.129 0.000 1.022 291 V CA -0.172 61.930 62.300 -0.330 0.000 0.830 291 V CB 0.676 32.275 31.823 -0.373 0.000 1.012 291 V HN 0.999 nan 8.190 nan 0.000 0.452 292 C N 3.343 122.619 119.300 -0.040 0.000 2.411 292 C HA 0.545 5.083 4.460 0.131 0.000 0.330 292 C C 0.888 175.882 174.990 0.007 0.000 1.224 292 C CA -0.493 58.538 59.018 0.021 0.000 1.770 292 C CB 1.701 29.527 27.740 0.143 0.000 2.297 292 C HN 0.811 nan 8.230 nan 0.000 0.507 293 S N 1.859 117.539 115.700 -0.034 0.000 2.474 293 S HA 0.464 5.013 4.470 0.131 0.000 0.276 293 S C -0.217 174.374 174.600 -0.014 0.000 1.227 293 S CA -0.379 57.793 58.200 -0.047 0.000 1.050 293 S CB 0.512 63.672 63.200 -0.066 0.000 0.939 293 S HN 0.526 nan 8.310 nan 0.000 0.490 294 V N 4.630 124.563 119.914 0.032 0.000 2.769 294 V HA 0.598 4.797 4.120 0.131 0.000 0.312 294 V C -0.290 175.808 176.094 0.006 0.000 1.061 294 V CA -0.809 61.530 62.300 0.064 0.000 0.931 294 V CB 1.968 33.922 31.823 0.219 0.000 1.010 294 V HN 0.839 nan 8.190 nan 0.000 0.433 295 I N 2.013 122.545 120.570 -0.063 0.000 2.533 295 I HA 0.500 4.749 4.170 0.131 0.000 0.290 295 I C -1.342 174.720 176.117 -0.091 0.000 1.056 295 I CA -0.428 60.822 61.300 -0.085 0.000 1.057 295 I CB 2.087 39.985 38.000 -0.171 0.000 1.240 295 I HN 0.709 nan 8.210 nan 0.000 0.423 296 D N 8.092 128.476 120.400 -0.027 0.000 2.456 296 D HA 0.407 5.126 4.640 0.131 0.000 0.219 296 D C -1.245 175.041 176.300 -0.023 0.000 1.126 296 D CA 0.140 54.134 54.000 -0.010 0.000 0.890 296 D CB 0.539 41.380 40.800 0.069 0.000 1.025 296 D HN 0.412 nan 8.370 nan 0.000 0.511 297 L N 3.283 124.452 121.223 -0.091 0.000 2.354 297 L HA 0.430 4.849 4.340 0.131 0.000 0.269 297 L C -0.336 176.487 176.870 -0.078 0.000 1.005 297 L CA -1.422 53.370 54.840 -0.080 0.000 0.819 297 L CB 1.957 43.946 42.059 -0.116 0.000 1.311 297 L HN 0.273 nan 8.230 nan 0.000 0.423 298 L N 2.319 123.522 121.223 -0.033 0.000 2.490 298 L HA 0.005 4.424 4.340 0.131 0.000 0.274 298 L C 0.959 177.788 176.870 -0.067 0.000 1.201 298 L CA 0.750 55.570 54.840 -0.034 0.000 0.869 298 L CB 0.714 42.774 42.059 0.002 0.000 1.123 298 L HN 0.609 nan 8.230 nan 0.000 0.484 299 L N 2.347 123.502 121.223 -0.114 0.000 2.046 299 L HA -0.211 4.208 4.340 0.131 0.000 0.208 299 L C 1.499 178.324 176.870 -0.075 0.000 1.077 299 L CA 1.499 56.254 54.840 -0.141 0.000 0.747 299 L CB -0.266 41.633 42.059 -0.267 0.000 0.896 299 L HN 0.775 nan 8.230 nan 0.000 0.432 300 D N -0.310 120.054 120.400 -0.061 0.000 2.228 300 D HA -0.202 4.517 4.640 0.131 0.000 0.203 300 D C 1.603 177.895 176.300 -0.012 0.000 0.988 300 D CA 1.147 55.128 54.000 -0.032 0.000 0.864 300 D CB -0.120 40.682 40.800 0.002 0.000 0.928 300 D HN 0.353 nan 8.370 nan 0.000 0.469 301 D N -0.854 119.537 120.400 -0.016 0.000 2.197 301 D HA -0.034 4.685 4.640 0.131 0.000 0.212 301 D C 1.624 177.783 176.300 -0.235 0.000 0.963 301 D CA 0.183 54.150 54.000 -0.056 0.000 0.864 301 D CB -0.478 40.306 40.800 -0.027 0.000 1.009 301 D HN 0.165 nan 8.370 nan 0.000 0.479 302 F N 1.515 121.272 119.950 -0.322 0.000 2.269 302 F HA -0.158 4.446 4.527 0.128 0.000 0.301 302 F C 1.923 177.583 175.800 -0.234 0.000 1.082 302 F CA 0.930 58.751 58.000 -0.300 0.000 1.360 302 F CB 0.114 38.957 39.000 -0.262 0.000 1.041 302 F HN -0.230 nan 8.300 nan 0.000 0.512 303 V N -0.335 119.466 119.914 -0.188 0.000 2.951 303 V HA -0.156 4.043 4.120 0.131 0.000 0.255 303 V C 2.160 178.103 176.094 -0.253 0.000 1.088 303 V CA 1.481 63.617 62.300 -0.275 0.000 1.109 303 V CB -0.231 31.471 31.823 -0.202 0.000 0.724 303 V HN 0.334 nan 8.190 nan 0.000 0.471 304 E N 0.581 120.681 120.200 -0.167 0.000 2.051 304 E HA -0.226 4.203 4.350 0.131 0.000 0.192 304 E C 2.161 178.682 176.600 -0.132 0.000 0.991 304 E CA 1.773 58.119 56.400 -0.091 0.000 0.799 304 E CB -0.137 29.587 29.700 0.041 0.000 0.748 304 E HN 0.573 nan 8.360 nan 0.000 0.449 305 I N 0.925 121.359 120.570 -0.226 0.000 2.099 305 I HA -0.300 3.949 4.170 0.131 0.000 0.239 305 I C 2.466 178.399 176.117 -0.308 0.000 1.066 305 I CA 0.755 61.902 61.300 -0.255 0.000 1.324 305 I CB -0.295 37.473 38.000 -0.387 0.000 1.037 305 I HN 0.316 nan 8.210 nan 0.000 0.401 306 I N 1.005 121.279 120.570 -0.493 0.000 2.315 306 I HA -0.315 3.934 4.170 0.131 0.000 0.251 306 I C 2.252 178.128 176.117 -0.402 0.000 1.125 306 I CA 1.904 62.938 61.300 -0.444 0.000 1.392 306 I CB -0.593 37.085 38.000 -0.537 0.000 1.065 306 I HN 0.305 nan 8.210 nan 0.000 0.424 307 K N -0.103 120.062 120.400 -0.391 0.000 2.361 307 K HA 0.020 4.418 4.320 0.131 0.000 0.196 307 K C 1.616 178.185 176.600 -0.051 0.000 1.039 307 K CA 0.865 56.946 56.287 -0.344 0.000 1.001 307 K CB 0.121 32.459 32.500 -0.270 0.000 0.795 307 K HN 0.318 nan 8.250 nan 0.000 0.495 308 S N 0.684 116.353 115.700 -0.052 0.000 2.786 308 S HA 0.064 4.613 4.470 0.131 0.000 0.223 308 S C 0.532 175.152 174.600 0.033 0.000 0.956 308 S CA -0.090 58.113 58.200 0.004 0.000 0.961 308 S CB 0.006 63.204 63.200 -0.004 0.000 0.784 308 S HN 0.041 nan 8.310 nan 0.000 0.519 309 Q N 1.447 121.296 119.800 0.082 0.000 2.427 309 Q HA 0.427 4.846 4.340 0.131 0.000 0.232 309 Q C -0.506 175.593 176.000 0.166 0.000 1.018 309 Q CA -0.598 55.271 55.803 0.111 0.000 0.965 309 Q CB 0.395 29.207 28.738 0.123 0.000 1.232 309 Q HN 0.385 nan 8.270 nan 0.000 0.510 310 D N 0.691 121.152 120.400 0.102 0.000 2.344 310 D HA 0.168 4.887 4.640 0.131 0.000 0.244 310 D C 0.019 176.306 176.300 -0.021 0.000 1.134 310 D CA -0.197 53.830 54.000 0.045 0.000 0.930 310 D CB 0.861 41.666 40.800 0.007 0.000 1.175 310 D HN 0.239 nan 8.370 nan 0.000 0.437 311 L N 2.040 123.150 121.223 -0.189 0.000 2.565 311 L HA -0.040 4.379 4.340 0.131 0.000 0.275 311 L C 1.532 178.278 176.870 -0.207 0.000 1.137 311 L CA -0.101 54.476 54.840 -0.439 0.000 0.915 311 L CB 0.010 41.838 42.059 -0.385 0.000 1.232 311 L HN 0.363 nan 8.230 nan 0.000 0.473 312 S N 2.630 118.243 115.700 -0.145 0.000 2.240 312 S HA -0.057 4.492 4.470 0.131 0.000 0.154 312 S C 1.056 175.636 174.600 -0.034 0.000 1.332 312 S CA -0.021 58.158 58.200 -0.033 0.000 2.219 312 S CB -0.109 63.118 63.200 0.046 0.000 0.433 312 S HN 0.409 nan 8.310 nan 0.000 0.355 313 V N 2.405 122.316 119.914 -0.004 0.000 3.415 313 V HA 0.340 4.539 4.120 0.131 0.000 0.325 313 V C 0.246 176.375 176.094 0.058 0.000 1.313 313 V CA -0.381 61.940 62.300 0.034 0.000 1.228 313 V CB -1.783 30.058 31.823 0.030 0.000 1.131 313 V HN 0.499 nan 8.190 nan 0.000 0.433 314 I N -0.581 120.011 120.570 0.036 0.000 2.638 314 I HA 0.390 4.639 4.170 0.131 0.000 0.286 314 I C 0.705 176.851 176.117 0.047 0.000 1.088 314 I CA 0.194 61.510 61.300 0.026 0.000 1.397 314 I CB 0.883 38.879 38.000 -0.005 0.000 1.414 314 I HN 0.030 nan 8.210 nan 0.000 0.566 315 S N 5.034 120.744 115.700 0.016 0.000 2.546 315 S HA 0.129 4.678 4.470 0.131 0.000 0.290 315 S C -0.154 174.449 174.600 0.006 0.000 1.290 315 S CA -0.288 57.924 58.200 0.020 0.000 1.069 315 S CB -0.033 63.054 63.200 -0.188 0.000 0.846 315 S HN 0.564 nan 8.310 nan 0.000 0.495 316 K N 1.513 121.940 120.400 0.046 0.000 2.318 316 K HA 0.490 4.889 4.320 0.131 0.000 0.249 316 K C -1.072 175.496 176.600 -0.054 0.000 0.942 316 K CA -0.836 55.448 56.287 -0.005 0.000 0.808 316 K CB 1.887 34.390 32.500 0.006 0.000 1.189 316 K HN 0.294 nan 8.250 nan 0.000 0.428 317 V N 3.108 122.974 119.914 -0.079 0.000 2.455 317 V HA 0.138 4.337 4.120 0.131 0.000 0.273 317 V C -0.343 175.642 176.094 -0.183 0.000 1.045 317 V CA -0.397 61.832 62.300 -0.118 0.000 0.976 317 V CB 1.175 32.953 31.823 -0.076 0.000 0.993 317 V HN 0.429 nan 8.190 nan 0.000 0.475 318 V N 5.719 125.426 119.914 -0.345 0.000 2.495 318 V HA 0.464 4.663 4.120 0.131 0.000 0.298 318 V C -0.091 175.834 176.094 -0.281 0.000 1.031 318 V CA -0.894 61.174 62.300 -0.387 0.000 0.871 318 V CB 1.992 33.426 31.823 -0.647 0.000 0.988 318 V HN 0.873 nan 8.190 nan 0.000 0.432 319 K N 4.811 125.138 120.400 -0.121 0.000 2.478 319 K HA 0.589 4.988 4.320 0.131 0.000 0.236 319 K C -0.821 175.793 176.600 0.024 0.000 1.021 319 K CA -0.414 55.859 56.287 -0.024 0.000 1.010 319 K CB 1.046 33.539 32.500 -0.011 0.000 1.331 319 K HN 0.574 nan 8.250 nan 0.000 0.470 320 V N 0.262 120.229 119.914 0.089 0.000 2.834 320 V HA 0.559 4.758 4.120 0.131 0.000 0.313 320 V C -0.089 176.078 176.094 0.123 0.000 1.060 320 V CA -0.847 61.540 62.300 0.145 0.000 0.989 320 V CB 1.516 33.487 31.823 0.248 0.000 1.041 320 V HN 0.587 nan 8.190 nan 0.000 0.459 321 T N 3.988 118.590 114.554 0.081 0.000 2.728 321 T HA 0.703 5.132 4.350 0.131 0.000 0.296 321 T C -0.246 174.454 174.700 0.001 0.000 0.940 321 T CA 0.099 62.207 62.100 0.013 0.000 1.013 321 T CB 0.042 68.872 68.868 -0.065 0.000 0.912 321 T HN 0.556 nan 8.240 nan 0.000 0.484 322 I N 2.279 122.856 120.570 0.011 0.000 2.465 322 I HA 0.285 4.534 4.170 0.131 0.000 0.291 322 I C -0.415 175.661 176.117 -0.068 0.000 1.014 322 I CA -0.894 60.393 61.300 -0.021 0.000 1.093 322 I CB 1.714 39.747 38.000 0.055 0.000 1.267 322 I HN 0.496 nan 8.210 nan 0.000 0.431 323 D N 5.865 126.166 120.400 -0.166 0.000 2.697 323 D HA -0.267 4.452 4.640 0.131 0.000 0.238 323 D C 0.079 176.414 176.300 0.059 0.000 1.152 323 D CA 1.084 55.091 54.000 0.011 0.000 0.666 323 D CB -0.998 39.882 40.800 0.133 0.000 1.037 323 D HN 0.727 nan 8.370 nan 0.000 0.423 324 Y N -3.946 116.318 120.300 -0.060 0.000 4.705 324 Y HA -0.363 4.240 4.550 0.088 0.000 0.226 324 Y C 0.928 176.820 175.900 -0.014 0.000 1.039 324 Y CA 0.934 59.009 58.100 -0.041 0.000 1.968 324 Y CB -1.307 37.153 38.460 -0.000 0.000 1.614 324 Y HN 0.486 nan 8.280 nan 0.000 0.619 325 A N 0.098 122.977 122.820 0.099 0.000 2.435 325 A HA 0.658 5.057 4.320 0.131 0.000 0.304 325 A C -0.454 177.168 177.584 0.064 0.000 1.064 325 A CA -0.822 51.267 52.037 0.087 0.000 0.727 325 A CB 1.141 20.195 19.000 0.089 0.000 1.284 325 A HN 0.217 nan 8.150 nan 0.000 0.415 326 E N 1.703 121.942 120.200 0.065 0.000 2.105 326 E HA 0.295 4.724 4.350 0.131 0.000 0.285 326 E C -0.861 175.789 176.600 0.084 0.000 1.055 326 E CA -0.234 56.206 56.400 0.066 0.000 0.843 326 E CB 0.820 30.552 29.700 0.053 0.000 1.067 326 E HN 0.365 nan 8.360 nan 0.000 0.398 327 I N 2.486 123.126 120.570 0.118 0.000 2.354 327 I HA 0.166 4.415 4.170 0.131 0.000 0.292 327 I C 0.098 176.344 176.117 0.214 0.000 0.989 327 I CA -0.536 60.866 61.300 0.170 0.000 1.188 327 I CB 1.448 39.568 38.000 0.200 0.000 1.342 327 I HN 0.267 nan 8.210 nan 0.000 0.457 328 S N 7.457 123.272 115.700 0.191 0.000 2.437 328 S HA 0.807 5.356 4.470 0.131 0.000 0.305 328 S C -0.548 174.214 174.600 0.271 0.000 1.109 328 S CA -0.498 57.788 58.200 0.145 0.000 1.099 328 S CB 1.117 64.359 63.200 0.070 0.000 1.004 328 S HN 0.464 nan 8.310 nan 0.000 0.475 329 F N -0.237 119.750 119.950 0.061 0.000 2.713 329 F HA 0.645 5.251 4.527 0.130 0.000 0.311 329 F C -1.265 174.602 175.800 0.111 0.000 1.141 329 F CA -1.412 56.639 58.000 0.085 0.000 0.939 329 F CB 1.023 40.084 39.000 0.101 0.000 1.325 329 F HN 0.193 nan 8.300 nan 0.000 0.453 330 M N 3.473 123.249 119.600 0.292 0.000 2.094 330 M HA 0.314 4.873 4.480 0.131 0.000 0.348 330 M C -0.999 175.584 176.300 0.472 0.000 1.267 330 M CA -0.594 54.839 55.300 0.221 0.000 1.125 330 M CB 0.855 33.547 32.600 0.153 0.000 1.527 330 M HN 0.722 nan 8.290 nan 0.000 0.447 331 L N 7.017 128.400 121.223 0.266 0.000 2.313 331 L HA 0.501 4.920 4.340 0.131 0.000 0.282 331 L C -0.844 176.355 176.870 0.548 0.000 1.092 331 L CA 0.475 55.562 54.840 0.413 0.000 0.831 331 L CB 0.192 42.358 42.059 0.178 0.000 1.159 331 L HN 0.758 nan 8.230 nan 0.000 0.442 332 W N 0.000 121.425 121.300 0.208 0.000 2.388 332 W HA 0.000 4.738 4.660 0.129 0.000 0.303 332 W CA 0.000 57.436 57.345 0.152 0.000 1.226 332 W CB 0.000 29.507 29.460 0.079 0.000 1.126 332 W HN 0.000 nan 8.180 nan 0.000 0.535