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 2uzy_1_C DATA FIRST_RESID 35 DATA SEQUENCE METITVPTPI KQIFSDDAFA ETIKDNLKKK SVTDAVTQNE LNSIDQIIAN DATA SEQUENCE NSDIKSVQGI QYLPNVTKLF LNGNKLTDIK PLANLKNLGW LFLDENKVKD DATA SEQUENCE LSSLKDLKKL KSLSLEHNGI SDINGLVHLP QLESLYLGNN KITDITVLSR DATA SEQUENCE LTKLDTLSLE DNQISDIVPL AGLTKLQNLY LSKNHISDLR ALAGLKNLDV DATA SEQUENCE LELFSQECLN KPINHQSNLV VPNTVKNTDG SLVTPEIISD DGDYEKPNVK DATA SEQUENCE WHLPEFTNEV SFIFYQPVTI GKAKARFHGR VTQPLK 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 35 M HA 0.000 nan 4.480 nan 0.000 0.227 35 M C 0.000 176.272 176.300 -0.047 0.000 1.140 35 M CA 0.000 55.276 55.300 -0.039 0.000 0.988 35 M CB 0.000 32.576 32.600 -0.041 0.000 1.302 36 E N 1.847 121.983 120.200 -0.107 0.000 2.129 36 E HA 0.374 4.724 4.350 -0.000 0.000 0.283 36 E C -0.476 176.163 176.600 0.065 0.000 1.080 36 E CA 0.237 56.529 56.400 -0.180 0.000 0.867 36 E CB 0.844 30.153 29.700 -0.652 0.000 1.056 36 E HN 0.219 nan 8.360 nan 0.000 0.404 37 T N 3.110 117.788 114.554 0.207 0.000 2.965 37 T HA 0.408 4.758 4.350 -0.000 0.000 0.306 37 T C -0.036 174.769 174.700 0.176 0.000 0.991 37 T CA -0.867 61.360 62.100 0.212 0.000 1.001 37 T CB -0.158 68.765 68.868 0.093 0.000 0.984 37 T HN 0.439 nan 8.240 nan 0.000 0.446 38 I N 4.129 124.754 120.570 0.091 0.000 2.505 38 I HA 0.344 4.513 4.170 -0.000 0.000 0.287 38 I C 1.361 177.457 176.117 -0.034 0.000 1.104 38 I CA -0.338 60.920 61.300 -0.071 0.000 1.387 38 I CB 0.769 38.601 38.000 -0.279 0.000 1.404 38 I HN 0.651 nan 8.210 nan 0.000 0.528 39 T N 2.781 117.323 114.554 -0.020 0.000 3.054 39 T HA 0.107 4.457 4.350 -0.000 0.000 0.259 39 T C 0.731 175.415 174.700 -0.026 0.000 1.092 39 T CA 0.453 62.545 62.100 -0.013 0.000 1.121 39 T CB -0.263 68.604 68.868 -0.003 0.000 0.912 39 T HN 0.597 nan 8.240 nan 0.000 0.489 40 V N -1.017 118.872 119.914 -0.042 0.000 2.581 40 V HA 0.641 4.761 4.120 -0.000 0.000 0.303 40 V C -3.089 172.970 176.094 -0.059 0.000 1.041 40 V CA -3.382 58.893 62.300 -0.043 0.000 0.907 40 V CB 1.170 32.969 31.823 -0.039 0.000 0.994 40 V HN -0.131 nan 8.190 nan 0.000 0.442 41 P HA 0.224 nan 4.420 nan 0.000 0.257 41 P C -0.298 176.964 177.300 -0.063 0.000 1.189 41 P CA 0.822 63.891 63.100 -0.052 0.000 0.780 41 P CB 0.048 31.727 31.700 -0.035 0.000 0.772 42 T N 5.550 120.052 114.554 -0.087 0.000 2.861 42 T HA 0.443 4.793 4.350 -0.000 0.000 0.287 42 T C -2.547 172.099 174.700 -0.090 0.000 1.003 42 T CA -1.852 60.189 62.100 -0.098 0.000 0.977 42 T CB 1.421 70.201 68.868 -0.147 0.000 0.996 42 T HN 0.051 nan 8.240 nan 0.000 0.448 43 P HA 0.207 nan 4.420 nan 0.000 0.269 43 P C 0.726 177.995 177.300 -0.051 0.000 1.217 43 P CA -0.132 62.941 63.100 -0.044 0.000 0.783 43 P CB 0.507 32.189 31.700 -0.030 0.000 0.898 44 I N 1.084 121.651 120.570 -0.005 0.000 2.546 44 I HA -0.178 3.992 4.170 -0.000 0.000 0.255 44 I C 2.231 178.400 176.117 0.087 0.000 1.163 44 I CA 1.129 62.464 61.300 0.058 0.000 1.457 44 I CB -0.524 37.546 38.000 0.117 0.000 1.092 44 I HN 0.466 nan 8.210 nan 0.000 0.434 45 K N 1.545 121.973 120.400 0.047 0.000 2.097 45 K HA -0.214 4.105 4.320 -0.000 0.000 0.206 45 K C 1.958 178.576 176.600 0.029 0.000 1.049 45 K CA 1.540 57.859 56.287 0.053 0.000 0.933 45 K CB 0.025 32.543 32.500 0.030 0.000 0.717 45 K HN 0.424 nan 8.250 nan 0.000 0.442 46 Q N 0.133 119.918 119.800 -0.025 0.000 2.163 46 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 46 Q C 2.123 178.056 176.000 -0.112 0.000 0.954 46 Q CA 0.623 56.394 55.803 -0.053 0.000 0.851 46 Q CB 0.104 28.801 28.738 -0.069 0.000 0.928 46 Q HN 0.282 nan 8.270 nan 0.000 0.459 47 I N 0.492 120.923 120.570 -0.231 0.000 2.090 47 I HA -0.175 3.995 4.170 -0.000 0.000 0.236 47 I C 0.780 176.646 176.117 -0.418 0.000 1.064 47 I CA 1.322 62.329 61.300 -0.488 0.000 1.324 47 I CB -0.937 36.516 38.000 -0.912 0.000 1.044 47 I HN 0.017 nan 8.210 nan 0.000 0.399 48 F N 1.696 121.679 119.950 0.055 0.000 2.390 48 F HA 0.183 4.710 4.527 -0.000 0.000 0.361 48 F C 1.773 177.635 175.800 0.103 0.000 1.124 48 F CA -0.490 57.588 58.000 0.130 0.000 1.149 48 F CB 0.433 39.510 39.000 0.127 0.000 1.160 48 F HN -0.006 nan 8.300 nan 0.000 0.501 49 S N -0.198 115.642 115.700 0.234 0.000 2.402 49 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 49 S C 0.491 175.185 174.600 0.157 0.000 1.021 49 S CA 0.540 58.830 58.200 0.150 0.000 0.974 49 S CB -0.399 62.865 63.200 0.108 0.000 0.800 49 S HN 0.617 nan 8.310 nan 0.000 0.484 50 D N 1.756 122.282 120.400 0.209 0.000 2.343 50 D HA 0.201 4.841 4.640 -0.000 0.000 0.255 50 D C 0.707 177.107 176.300 0.167 0.000 1.187 50 D CA -0.188 53.916 54.000 0.172 0.000 0.875 50 D CB 0.835 41.743 40.800 0.180 0.000 1.136 50 D HN -0.036 nan 8.370 nan 0.000 0.469 51 D N 3.392 123.859 120.400 0.111 0.000 2.116 51 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 51 D C 1.726 178.073 176.300 0.079 0.000 0.998 51 D CA 1.795 55.845 54.000 0.084 0.000 0.836 51 D CB -0.065 40.770 40.800 0.058 0.000 0.951 51 D HN 0.503 nan 8.370 nan 0.000 0.449 52 A N -0.175 122.699 122.820 0.089 0.000 1.851 52 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 52 A C 2.251 179.899 177.584 0.106 0.000 1.195 52 A CA 1.477 53.564 52.037 0.084 0.000 0.622 52 A CB -1.307 17.745 19.000 0.086 0.000 0.831 52 A HN 0.367 nan 8.150 nan 0.000 0.444 53 F N 0.985 120.915 119.950 -0.033 0.000 2.269 53 F HA -0.024 4.503 4.527 -0.000 0.000 0.301 53 F C 2.425 178.096 175.800 -0.214 0.000 1.082 53 F CA 0.590 58.523 58.000 -0.111 0.000 1.360 53 F CB -0.480 38.466 39.000 -0.090 0.000 1.041 53 F HN 0.251 nan 8.300 nan 0.000 0.512 54 A N -0.151 122.602 122.820 -0.112 0.000 1.873 54 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 54 A C 2.115 179.600 177.584 -0.166 0.000 1.186 54 A CA 1.656 53.616 52.037 -0.129 0.000 0.616 54 A CB -0.906 18.159 19.000 0.108 0.000 0.823 54 A HN 0.391 nan 8.150 nan 0.000 0.442 55 E N -0.141 120.007 120.200 -0.086 0.000 2.085 55 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 55 E C 1.972 178.501 176.600 -0.119 0.000 0.994 55 E CA 2.038 58.395 56.400 -0.071 0.000 0.801 55 E CB -0.560 29.124 29.700 -0.027 0.000 0.743 55 E HN 0.547 nan 8.360 nan 0.000 0.453 56 T N 1.483 115.938 114.554 -0.164 0.000 2.635 56 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 56 T C 1.754 176.302 174.700 -0.253 0.000 1.040 56 T CA 1.755 63.751 62.100 -0.174 0.000 1.156 56 T CB -0.271 68.508 68.868 -0.149 0.000 0.863 56 T HN 0.168 nan 8.240 nan 0.000 0.430 57 I N 1.287 121.576 120.570 -0.468 0.000 2.286 57 I HA -0.111 4.058 4.170 -0.000 0.000 0.248 57 I C 2.483 178.491 176.117 -0.183 0.000 1.115 57 I CA 1.209 62.263 61.300 -0.409 0.000 1.392 57 I CB -1.188 36.421 38.000 -0.653 0.000 1.065 57 I HN 0.196 nan 8.210 nan 0.000 0.418 58 K N 1.548 121.862 120.400 -0.144 0.000 2.009 58 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 58 K C 1.588 178.156 176.600 -0.054 0.000 1.049 58 K CA 1.885 58.132 56.287 -0.067 0.000 0.929 58 K CB -0.277 32.195 32.500 -0.047 0.000 0.714 58 K HN 0.242 nan 8.250 nan 0.000 0.440 59 D N 0.472 120.836 120.400 -0.060 0.000 2.144 59 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 59 D C 1.743 178.021 176.300 -0.037 0.000 0.984 59 D CA 0.878 54.853 54.000 -0.041 0.000 0.834 59 D CB -0.492 40.286 40.800 -0.038 0.000 0.955 59 D HN 0.268 nan 8.370 nan 0.000 0.465 60 N N 0.407 119.076 118.700 -0.052 0.000 2.104 60 N HA -0.113 4.627 4.740 -0.000 0.000 0.190 60 N C 1.235 176.731 175.510 -0.023 0.000 1.024 60 N CA 0.811 53.839 53.050 -0.037 0.000 0.853 60 N CB -0.173 38.281 38.487 -0.056 0.000 1.008 60 N HN 0.164 nan 8.380 nan 0.000 0.424 61 L N 0.069 121.275 121.223 -0.028 0.000 2.653 61 L HA 0.234 4.574 4.340 -0.000 0.000 0.232 61 L C 0.243 177.107 176.870 -0.010 0.000 1.169 61 L CA -0.011 54.821 54.840 -0.013 0.000 0.951 61 L CB -0.195 41.860 42.059 -0.008 0.000 1.181 61 L HN 0.094 nan 8.230 nan 0.000 0.460 62 K N -1.403 118.989 120.400 -0.013 0.000 3.193 62 K HA -0.173 4.147 4.320 -0.000 0.000 0.294 62 K C 0.193 176.787 176.600 -0.010 0.000 1.185 62 K CA 0.771 57.052 56.287 -0.010 0.000 0.866 62 K CB -1.029 31.467 32.500 -0.006 0.000 1.227 62 K HN 0.166 nan 8.250 nan 0.000 0.467 63 K N 1.167 121.559 120.400 -0.012 0.000 2.187 63 K HA 0.067 4.387 4.320 -0.000 0.000 0.247 63 K C 1.261 177.855 176.600 -0.010 0.000 1.019 63 K CA 0.118 56.399 56.287 -0.010 0.000 0.893 63 K CB 0.564 33.059 32.500 -0.009 0.000 1.025 63 K HN 0.133 nan 8.250 nan 0.000 0.500 64 K N -0.327 120.069 120.400 -0.008 0.000 2.242 64 K HA 0.018 4.337 4.320 -0.000 0.000 0.200 64 K C 0.405 177.001 176.600 -0.006 0.000 1.050 64 K CA 0.380 56.663 56.287 -0.007 0.000 0.981 64 K CB 0.462 32.959 32.500 -0.005 0.000 0.795 64 K HN 0.416 nan 8.250 nan 0.000 0.477 65 S N -1.575 114.122 115.700 -0.005 0.000 2.636 65 S HA 0.145 4.615 4.470 -0.000 0.000 0.268 65 S C 0.377 174.977 174.600 -0.000 0.000 1.159 65 S CA -0.304 57.894 58.200 -0.003 0.000 0.815 65 S CB 1.326 64.525 63.200 -0.001 0.000 1.130 65 S HN 0.039 nan 8.310 nan 0.000 0.471 66 V N 0.745 120.661 119.914 0.005 0.000 3.141 66 V HA 0.098 4.218 4.120 -0.000 0.000 0.265 66 V C 1.693 177.795 176.094 0.013 0.000 1.126 66 V CA 2.002 64.311 62.300 0.015 0.000 1.141 66 V CB -1.546 30.291 31.823 0.024 0.000 0.743 66 V HN 0.958 nan 8.190 nan 0.000 0.492 67 T N -2.922 111.636 114.554 0.006 0.000 3.129 67 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 67 T C 0.223 174.921 174.700 -0.004 0.000 1.117 67 T CA -0.018 62.082 62.100 0.000 0.000 1.034 67 T CB -0.604 68.264 68.868 -0.001 0.000 0.968 67 T HN 0.480 nan 8.240 nan 0.000 0.526 68 D N 2.323 122.721 120.400 -0.003 0.000 2.350 68 D HA 0.574 5.214 4.640 -0.000 0.000 0.249 68 D C 0.152 176.445 176.300 -0.011 0.000 1.119 68 D CA -0.104 53.892 54.000 -0.006 0.000 0.886 68 D CB 1.067 41.864 40.800 -0.004 0.000 1.195 68 D HN 0.459 nan 8.370 nan 0.000 0.437 69 A N 1.577 124.387 122.820 -0.017 0.000 2.351 69 A HA 0.580 4.900 4.320 -0.000 0.000 0.257 69 A C -0.054 177.515 177.584 -0.024 0.000 1.087 69 A CA -0.413 51.609 52.037 -0.026 0.000 0.798 69 A CB 0.416 19.400 19.000 -0.027 0.000 1.033 69 A HN 0.479 nan 8.150 nan 0.000 0.488 70 V N -0.760 119.132 119.914 -0.036 0.000 3.007 70 V HA 0.888 5.008 4.120 -0.000 0.000 0.311 70 V C -0.070 175.999 176.094 -0.043 0.000 1.120 70 V CA -0.102 62.180 62.300 -0.029 0.000 0.980 70 V CB 1.286 33.100 31.823 -0.015 0.000 1.033 70 V HN 1.296 nan 8.190 nan 0.000 0.429 71 T N -0.739 113.799 114.554 -0.027 0.000 2.948 71 T HA 0.468 4.818 4.350 -0.000 0.000 0.285 71 T C 0.619 175.307 174.700 -0.019 0.000 1.019 71 T CA 0.035 62.118 62.100 -0.028 0.000 1.013 71 T CB 1.856 70.716 68.868 -0.015 0.000 1.117 71 T HN 0.809 nan 8.240 nan 0.000 0.533 72 Q N 0.613 120.404 119.800 -0.014 0.000 2.224 72 Q HA -0.094 4.246 4.340 -0.000 0.000 0.203 72 Q C 2.027 178.043 176.000 0.026 0.000 0.970 72 Q CA 1.807 57.617 55.803 0.012 0.000 0.865 72 Q CB -0.611 28.141 28.738 0.023 0.000 0.922 72 Q HN 0.798 nan 8.270 nan 0.000 0.445 73 N N 0.280 118.989 118.700 0.015 0.000 2.120 73 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 73 N C 1.197 176.719 175.510 0.020 0.000 1.024 73 N CA 1.834 54.894 53.050 0.017 0.000 0.852 73 N CB -0.040 38.452 38.487 0.009 0.000 1.003 73 N HN 0.387 nan 8.380 nan 0.000 0.424 74 E N -0.322 119.888 120.200 0.017 0.000 2.150 74 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 74 E C 1.927 178.549 176.600 0.037 0.000 0.985 74 E CA 0.730 57.142 56.400 0.021 0.000 0.814 74 E CB -0.066 29.642 29.700 0.014 0.000 0.752 74 E HN 0.411 nan 8.360 nan 0.000 0.466 75 L N 0.792 122.044 121.223 0.048 0.000 2.156 75 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 75 L C 1.918 178.836 176.870 0.080 0.000 1.095 75 L CA 0.889 55.779 54.840 0.084 0.000 0.770 75 L CB -0.302 41.821 42.059 0.106 0.000 0.914 75 L HN 0.159 nan 8.230 nan 0.000 0.439 76 N N -0.420 118.315 118.700 0.059 0.000 2.244 76 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 76 N C 1.609 177.141 175.510 0.036 0.000 1.016 76 N CA 1.276 54.355 53.050 0.048 0.000 0.866 76 N CB 0.034 38.543 38.487 0.036 0.000 0.980 76 N HN 0.294 nan 8.380 nan 0.000 0.430 77 S N 0.480 116.199 115.700 0.032 0.000 2.660 77 S HA 0.138 4.608 4.470 -0.000 0.000 0.223 77 S C 0.633 175.250 174.600 0.028 0.000 0.963 77 S CA 0.057 58.272 58.200 0.024 0.000 0.932 77 S CB -0.369 62.842 63.200 0.019 0.000 0.775 77 S HN 0.185 nan 8.310 nan 0.000 0.531 78 I N 2.544 123.137 120.570 0.039 0.000 2.294 78 I HA 0.205 4.375 4.170 -0.000 0.000 0.295 78 I C 0.969 177.111 176.117 0.040 0.000 1.098 78 I CA -0.198 61.127 61.300 0.042 0.000 1.277 78 I CB 0.951 38.985 38.000 0.056 0.000 1.434 78 I HN 0.123 nan 8.210 nan 0.000 0.498 79 D N 4.218 124.639 120.400 0.034 0.000 2.323 79 D HA -0.047 4.593 4.640 -0.000 0.000 0.218 79 D C 0.679 177.002 176.300 0.038 0.000 0.973 79 D CA 0.661 54.674 54.000 0.021 0.000 0.890 79 D CB 0.588 41.392 40.800 0.008 0.000 1.011 79 D HN 0.548 nan 8.370 nan 0.000 0.499 80 Q N 0.829 120.675 119.800 0.075 0.000 2.303 80 Q HA 0.389 4.729 4.340 -0.000 0.000 0.267 80 Q C -1.408 174.691 176.000 0.164 0.000 1.011 80 Q CA -0.556 55.331 55.803 0.140 0.000 0.740 80 Q CB 1.122 29.978 28.738 0.197 0.000 1.250 80 Q HN 0.165 nan 8.270 nan 0.000 0.458 81 I N 5.000 125.680 120.570 0.184 0.000 2.385 81 I HA 0.396 4.566 4.170 -0.000 0.000 0.294 81 I C -0.277 176.051 176.117 0.353 0.000 0.988 81 I CA -0.908 60.512 61.300 0.199 0.000 1.265 81 I CB 1.411 39.520 38.000 0.181 0.000 1.388 81 I HN 0.601 nan 8.210 nan 0.000 0.480 82 I N 5.873 126.605 120.570 0.270 0.000 2.466 82 I HA 0.423 4.593 4.170 -0.000 0.000 0.279 82 I C 0.092 176.306 176.117 0.162 0.000 1.033 82 I CA -0.140 61.324 61.300 0.274 0.000 1.123 82 I CB 1.530 39.572 38.000 0.070 0.000 1.237 82 I HN 0.667 nan 8.210 nan 0.000 0.460 83 A N 4.201 127.144 122.820 0.204 0.000 3.176 83 A HA 0.437 4.757 4.320 -0.000 0.000 0.265 83 A C -0.436 177.218 177.584 0.116 0.000 0.936 83 A CA -0.556 51.567 52.037 0.143 0.000 1.033 83 A CB -0.215 18.900 19.000 0.192 0.000 1.158 83 A HN 0.556 nan 8.150 nan 0.000 0.485 84 N N 1.440 120.191 118.700 0.085 0.000 2.497 84 N HA 0.239 4.979 4.740 -0.000 0.000 0.271 84 N C -0.199 175.322 175.510 0.018 0.000 1.142 84 N CA 0.377 53.456 53.050 0.049 0.000 0.965 84 N CB 0.176 38.669 38.487 0.010 0.000 1.077 84 N HN 0.490 nan 8.380 nan 0.000 0.462 85 N N -0.093 118.615 118.700 0.014 0.000 2.726 85 N HA -0.169 4.571 4.740 -0.000 0.000 0.253 85 N C -0.659 174.858 175.510 0.012 0.000 1.059 85 N CA 0.627 53.678 53.050 0.002 0.000 0.701 85 N CB -1.049 37.429 38.487 -0.015 0.000 0.899 85 N HN 0.404 nan 8.380 nan 0.000 0.548 86 S N -0.578 115.139 115.700 0.027 0.000 2.559 86 S HA 0.119 4.589 4.470 -0.000 0.000 0.226 86 S C 0.555 175.177 174.600 0.036 0.000 1.000 86 S CA 0.116 58.338 58.200 0.037 0.000 0.948 86 S CB 0.429 63.668 63.200 0.065 0.000 0.870 86 S HN 0.631 nan 8.310 nan 0.000 0.497 87 D N 0.974 121.390 120.400 0.026 0.000 3.059 87 D HA -0.173 4.466 4.640 -0.000 0.000 0.220 87 D C -0.386 175.932 176.300 0.031 0.000 1.169 87 D CA 0.380 54.394 54.000 0.023 0.000 0.902 87 D CB -1.479 39.334 40.800 0.021 0.000 1.116 87 D HN 0.470 nan 8.370 nan 0.000 0.417 88 I N 0.447 121.039 120.570 0.038 0.000 2.668 88 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 88 I C 1.726 177.846 176.117 0.005 0.000 1.168 88 I CA 0.645 61.968 61.300 0.039 0.000 1.424 88 I CB 0.702 38.720 38.000 0.030 0.000 1.377 88 I HN 0.065 nan 8.210 nan 0.000 0.560 89 K N 3.099 123.508 120.400 0.015 0.000 2.308 89 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 89 K C 0.504 177.096 176.600 -0.014 0.000 1.049 89 K CA 0.347 56.637 56.287 0.005 0.000 0.991 89 K CB 0.488 33.000 32.500 0.020 0.000 0.836 89 K HN 0.593 nan 8.250 nan 0.000 0.500 90 S N -0.005 115.683 115.700 -0.019 0.000 2.537 90 S HA 0.242 4.712 4.470 -0.000 0.000 0.270 90 S C -0.596 173.935 174.600 -0.115 0.000 1.142 90 S CA -0.870 57.305 58.200 -0.042 0.000 0.870 90 S CB 1.879 65.090 63.200 0.019 0.000 1.112 90 S HN -0.012 nan 8.310 nan 0.000 0.466 91 V N 1.713 121.502 119.914 -0.210 0.000 2.933 91 V HA 0.502 4.621 4.120 -0.000 0.000 0.374 91 V C 0.127 176.253 176.094 0.054 0.000 1.321 91 V CA -0.457 61.580 62.300 -0.438 0.000 1.290 91 V CB -0.197 31.203 31.823 -0.706 0.000 1.346 91 V HN 0.710 nan 8.190 nan 0.000 0.560 92 Q N 2.108 122.016 119.800 0.180 0.000 2.262 92 Q HA 0.506 4.846 4.340 -0.000 0.000 0.272 92 Q C 1.075 177.320 176.000 0.409 0.000 1.076 92 Q CA 1.472 57.411 55.803 0.227 0.000 0.905 92 Q CB 0.313 29.142 28.738 0.153 0.000 1.182 92 Q HN 1.002 nan 8.270 nan 0.000 0.390 93 G N 3.752 112.776 108.800 0.372 0.000 2.367 93 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.181 93 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.181 93 G C 0.455 175.716 174.900 0.601 0.000 1.000 93 G CA 0.025 45.335 45.100 0.351 0.000 0.693 93 G HN 0.599 nan 8.290 nan 0.000 0.480 94 I N 1.671 122.604 120.570 0.606 0.000 2.756 94 I HA 0.076 4.246 4.170 -0.000 0.000 0.262 94 I C 2.353 178.608 176.117 0.231 0.000 1.225 94 I CA 1.855 63.456 61.300 0.503 0.000 1.472 94 I CB -0.124 38.074 38.000 0.329 0.000 1.094 94 I HN 0.315 nan 8.210 nan 0.000 0.454 95 Q N -0.659 119.170 119.800 0.047 0.000 2.297 95 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 95 Q C 1.212 177.085 176.000 -0.212 0.000 0.981 95 Q CA 1.616 57.316 55.803 -0.171 0.000 0.876 95 Q CB -0.461 28.052 28.738 -0.375 0.000 0.921 95 Q HN 0.637 nan 8.270 nan 0.000 0.446 96 Y N -0.871 119.469 120.300 0.067 0.000 2.462 96 Y HA 0.171 4.721 4.550 -0.000 0.000 0.293 96 Y C -0.174 175.767 175.900 0.070 0.000 1.195 96 Y CA -0.117 58.007 58.100 0.040 0.000 1.276 96 Y CB 0.373 38.828 38.460 -0.009 0.000 1.082 96 Y HN -0.027 nan 8.280 nan 0.000 0.514 97 L N 1.028 122.367 121.223 0.194 0.000 2.599 97 L HA 0.341 4.681 4.340 -0.000 0.000 0.241 97 L C -1.996 174.923 176.870 0.081 0.000 1.207 97 L CA -1.383 53.548 54.840 0.150 0.000 0.987 97 L CB 0.906 43.076 42.059 0.185 0.000 1.318 97 L HN -0.138 nan 8.230 nan 0.000 0.458 98 P HA -0.054 nan 4.420 nan 0.000 0.218 98 P C 0.498 177.803 177.300 0.009 0.000 1.149 98 P CA 1.110 64.221 63.100 0.019 0.000 0.817 98 P CB 0.228 31.937 31.700 0.014 0.000 0.785 99 N N -0.274 118.436 118.700 0.017 0.000 2.389 99 N HA 0.056 4.796 4.740 -0.000 0.000 0.237 99 N C -0.328 175.180 175.510 -0.004 0.000 1.148 99 N CA 0.046 53.096 53.050 0.000 0.000 0.854 99 N CB 0.371 38.861 38.487 0.004 0.000 1.115 99 N HN 0.047 nan 8.380 nan 0.000 0.492 100 V N 1.762 121.677 119.914 0.002 0.000 2.385 100 V HA 0.187 4.307 4.120 -0.000 0.000 0.269 100 V C 1.095 177.160 176.094 -0.048 0.000 1.043 100 V CA 0.146 62.445 62.300 -0.003 0.000 0.906 100 V CB 1.044 32.887 31.823 0.034 0.000 0.995 100 V HN 0.349 nan 8.190 nan 0.000 0.467 101 T N 2.534 117.039 114.554 -0.082 0.000 3.091 101 T HA 0.446 4.795 4.350 -0.000 0.000 0.277 101 T C 0.092 174.673 174.700 -0.200 0.000 0.996 101 T CA -0.356 61.647 62.100 -0.161 0.000 0.897 101 T CB 0.006 68.745 68.868 -0.215 0.000 1.109 101 T HN 0.509 nan 8.240 nan 0.000 0.534 102 K N 1.203 121.537 120.400 -0.110 0.000 2.578 102 K HA 0.655 4.975 4.320 -0.000 0.000 0.250 102 K C -1.530 174.948 176.600 -0.203 0.000 0.955 102 K CA -0.259 55.965 56.287 -0.105 0.000 0.825 102 K CB 2.268 34.837 32.500 0.117 0.000 1.151 102 K HN 0.196 nan 8.250 nan 0.000 0.432 103 L N 4.061 125.039 121.223 -0.409 0.000 2.385 103 L HA 0.600 4.940 4.340 -0.000 0.000 0.273 103 L C -1.262 175.325 176.870 -0.471 0.000 0.990 103 L CA -0.823 53.836 54.840 -0.301 0.000 0.821 103 L CB 1.106 43.080 42.059 -0.142 0.000 1.279 103 L HN 0.546 nan 8.230 nan 0.000 0.412 104 F N 4.989 125.061 119.950 0.203 0.000 2.500 104 F HA 0.422 4.949 4.527 -0.000 0.000 0.349 104 F C 0.281 176.145 175.800 0.107 0.000 1.127 104 F CA -0.388 57.726 58.000 0.190 0.000 0.998 104 F CB 1.123 40.193 39.000 0.117 0.000 1.237 104 F HN 0.249 nan 8.300 nan 0.000 0.439 105 L N 1.984 123.337 121.223 0.217 0.000 3.429 105 L HA 0.249 4.589 4.340 -0.000 0.000 0.311 105 L C -0.110 176.811 176.870 0.085 0.000 1.274 105 L CA -0.407 54.500 54.840 0.112 0.000 1.037 105 L CB -0.139 41.938 42.059 0.030 0.000 1.433 105 L HN 0.423 nan 8.230 nan 0.000 0.614 106 N N 1.823 120.589 118.700 0.110 0.000 2.407 106 N HA 0.170 4.910 4.740 -0.000 0.000 0.250 106 N C 1.214 176.736 175.510 0.020 0.000 1.236 106 N CA 1.235 54.319 53.050 0.057 0.000 0.879 106 N CB 0.801 39.310 38.487 0.038 0.000 1.088 106 N HN 0.342 nan 8.380 nan 0.000 0.450 107 G N 0.422 109.219 108.800 -0.005 0.000 2.212 107 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.255 107 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.255 107 G C -0.098 174.800 174.900 -0.004 0.000 1.062 107 G CA -0.157 44.932 45.100 -0.020 0.000 0.815 107 G HN 0.610 nan 8.290 nan 0.000 0.497 108 N N -0.652 118.049 118.700 0.002 0.000 3.255 108 N HA 0.675 5.415 4.740 -0.000 0.000 0.359 108 N C 0.890 176.401 175.510 0.001 0.000 1.463 108 N CA -0.681 52.371 53.050 0.003 0.000 0.695 108 N CB 0.394 38.881 38.487 -0.001 0.000 1.581 108 N HN 0.027 nan 8.380 nan 0.000 0.622 109 K N 0.408 120.807 120.400 -0.002 0.000 2.536 109 K HA 0.355 4.675 4.320 -0.000 0.000 0.203 109 K C -0.261 176.336 176.600 -0.006 0.000 1.063 109 K CA -0.175 56.113 56.287 0.001 0.000 1.063 109 K CB 0.069 32.572 32.500 0.005 0.000 0.843 109 K HN 0.356 nan 8.250 nan 0.000 0.521 110 L N 2.259 123.472 121.223 -0.017 0.000 2.601 110 L HA -0.038 4.302 4.340 -0.000 0.000 0.277 110 L C 1.224 178.085 176.870 -0.015 0.000 1.219 110 L CA 0.658 55.480 54.840 -0.029 0.000 0.915 110 L CB -0.005 42.027 42.059 -0.046 0.000 1.160 110 L HN 0.253 nan 8.230 nan 0.000 0.494 111 T N -3.164 111.381 114.554 -0.016 0.000 2.986 111 T HA 0.158 4.508 4.350 -0.000 0.000 0.264 111 T C -0.055 174.638 174.700 -0.011 0.000 0.964 111 T CA -0.426 61.670 62.100 -0.007 0.000 0.895 111 T CB 0.343 69.210 68.868 -0.001 0.000 1.163 111 T HN 0.502 nan 8.240 nan 0.000 0.517 112 D N 1.048 121.436 120.400 -0.021 0.000 2.575 112 D HA 0.538 5.178 4.640 -0.000 0.000 0.236 112 D C 0.067 176.345 176.300 -0.036 0.000 1.075 112 D CA -1.072 52.915 54.000 -0.023 0.000 0.860 112 D CB 1.767 42.557 40.800 -0.018 0.000 1.475 112 D HN 0.335 nan 8.370 nan 0.000 0.474 113 I N -0.549 120.000 120.570 -0.034 0.000 3.621 113 I HA 0.332 4.502 4.170 -0.000 0.000 0.325 113 I C 0.909 177.002 176.117 -0.039 0.000 1.554 113 I CA -0.667 60.607 61.300 -0.043 0.000 1.053 113 I CB 0.556 38.532 38.000 -0.041 0.000 1.302 113 I HN 0.080 nan 8.210 nan 0.000 0.518 114 K N 1.863 122.243 120.400 -0.033 0.000 2.097 114 K HA 0.013 4.333 4.320 -0.000 0.000 0.206 114 K C -0.658 175.921 176.600 -0.034 0.000 1.049 114 K CA 1.525 57.793 56.287 -0.032 0.000 0.933 114 K CB -1.033 31.452 32.500 -0.025 0.000 0.717 114 K HN 0.348 nan 8.250 nan 0.000 0.442 115 P HA -0.153 nan 4.420 nan 0.000 0.216 115 P C 0.949 178.231 177.300 -0.030 0.000 1.150 115 P CA 1.196 64.282 63.100 -0.024 0.000 0.837 115 P CB 0.019 31.716 31.700 -0.006 0.000 0.786 116 L N -1.723 119.477 121.223 -0.038 0.000 2.478 116 L HA 0.039 4.379 4.340 -0.000 0.000 0.223 116 L C 2.351 179.195 176.870 -0.043 0.000 1.140 116 L CA 0.651 55.467 54.840 -0.040 0.000 0.842 116 L CB -1.101 40.927 42.059 -0.051 0.000 0.953 116 L HN -0.083 nan 8.230 nan 0.000 0.452 117 A N 0.439 123.232 122.820 -0.045 0.000 2.032 117 A HA -0.177 4.143 4.320 -0.000 0.000 0.221 117 A C 1.360 178.915 177.584 -0.049 0.000 1.165 117 A CA 1.637 53.645 52.037 -0.048 0.000 0.645 117 A CB -0.308 18.663 19.000 -0.049 0.000 0.807 117 A HN 0.493 nan 8.150 nan 0.000 0.453 118 N N -0.215 118.455 118.700 -0.050 0.000 2.599 118 N HA 0.287 5.027 4.740 -0.000 0.000 0.309 118 N C -1.177 174.305 175.510 -0.046 0.000 1.743 118 N CA -0.028 52.992 53.050 -0.050 0.000 0.918 118 N CB 0.738 39.191 38.487 -0.056 0.000 1.339 118 N HN 0.308 nan 8.380 nan 0.000 0.493 119 L N 1.692 122.892 121.223 -0.039 0.000 2.352 119 L HA 0.241 4.580 4.340 -0.000 0.000 0.272 119 L C 1.477 178.326 176.870 -0.035 0.000 1.109 119 L CA -0.524 54.297 54.840 -0.032 0.000 0.952 119 L CB 0.663 42.707 42.059 -0.025 0.000 1.314 119 L HN -0.154 nan 8.230 nan 0.000 0.427 120 K N 1.253 121.633 120.400 -0.033 0.000 2.032 120 K HA -0.232 4.088 4.320 -0.000 0.000 0.218 120 K C 0.851 177.427 176.600 -0.039 0.000 1.054 120 K CA 1.794 58.062 56.287 -0.033 0.000 0.941 120 K CB -0.205 32.278 32.500 -0.028 0.000 0.720 120 K HN 0.589 nan 8.250 nan 0.000 0.449 121 N N 0.807 119.481 118.700 -0.044 0.000 2.276 121 N HA 0.013 4.753 4.740 -0.000 0.000 0.212 121 N C -0.424 175.036 175.510 -0.083 0.000 1.127 121 N CA -0.295 52.719 53.050 -0.060 0.000 0.834 121 N CB 0.162 38.614 38.487 -0.058 0.000 1.014 121 N HN -0.043 nan 8.380 nan 0.000 0.491 122 L N 1.461 122.639 121.223 -0.075 0.000 2.615 122 L HA 0.030 4.370 4.340 -0.000 0.000 0.271 122 L C 1.287 178.085 176.870 -0.119 0.000 1.183 122 L CA 0.479 55.262 54.840 -0.094 0.000 0.933 122 L CB 0.438 42.450 42.059 -0.077 0.000 1.199 122 L HN 0.070 nan 8.230 nan 0.000 0.487 123 G N 4.813 113.502 108.800 -0.185 0.000 2.688 123 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.214 123 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.214 123 G C -0.316 174.505 174.900 -0.130 0.000 1.211 123 G CA -0.253 44.698 45.100 -0.249 0.000 0.853 123 G HN 0.526 nan 8.290 nan 0.000 0.591 124 W N 0.039 121.229 121.300 -0.183 0.000 2.496 124 W HA 0.755 5.414 4.660 -0.000 0.000 0.327 124 W C -0.796 175.389 176.519 -0.557 0.000 1.086 124 W CA -1.310 55.823 57.345 -0.353 0.000 1.222 124 W CB 1.180 30.525 29.460 -0.191 0.000 1.304 124 W HN 0.034 nan 8.180 nan 0.000 0.547 125 L N 3.609 124.448 121.223 -0.640 0.000 2.436 125 L HA 0.681 5.021 4.340 -0.000 0.000 0.268 125 L C -1.976 174.313 176.870 -0.968 0.000 0.974 125 L CA -1.175 53.303 54.840 -0.604 0.000 0.826 125 L CB 1.378 43.257 42.059 -0.300 0.000 1.291 125 L HN 0.232 nan 8.230 nan 0.000 0.406 126 F N 6.057 125.940 119.950 -0.112 0.000 2.659 126 F HA 0.475 5.002 4.527 -0.000 0.000 0.342 126 F C -0.032 175.750 175.800 -0.031 0.000 1.168 126 F CA -0.435 57.524 58.000 -0.069 0.000 1.003 126 F CB 1.451 40.430 39.000 -0.035 0.000 1.267 126 F HN 0.254 nan 8.300 nan 0.000 0.463 127 L N 2.326 123.612 121.223 0.104 0.000 3.154 127 L HA 0.326 4.665 4.340 -0.000 0.000 0.266 127 L C -0.465 176.449 176.870 0.073 0.000 1.300 127 L CA -0.340 54.538 54.840 0.063 0.000 1.028 127 L CB -0.234 41.834 42.059 0.016 0.000 1.412 127 L HN 0.443 nan 8.230 nan 0.000 0.564 128 D N 1.006 121.465 120.400 0.098 0.000 2.361 128 D HA 0.062 4.702 4.640 -0.000 0.000 0.239 128 D C 0.648 176.979 176.300 0.051 0.000 1.200 128 D CA 0.225 54.279 54.000 0.090 0.000 0.915 128 D CB 0.458 41.310 40.800 0.086 0.000 1.170 128 D HN 0.155 nan 8.370 nan 0.000 0.444 129 E N -0.664 119.576 120.200 0.066 0.000 2.440 129 E HA -0.237 4.113 4.350 -0.000 0.000 0.246 129 E C -0.244 176.372 176.600 0.026 0.000 1.165 129 E CA 0.282 56.689 56.400 0.012 0.000 0.726 129 E CB -0.918 28.717 29.700 -0.109 0.000 1.271 129 E HN 0.328 nan 8.360 nan 0.000 0.397 130 N N -0.016 118.713 118.700 0.048 0.000 3.312 130 N HA 0.398 5.137 4.740 -0.000 0.000 0.361 130 N C 0.301 175.833 175.510 0.036 0.000 1.476 130 N CA -0.584 52.485 53.050 0.031 0.000 0.669 130 N CB 0.462 38.961 38.487 0.021 0.000 1.629 130 N HN -0.046 nan 8.380 nan 0.000 0.612 131 K N 0.359 120.773 120.400 0.024 0.000 2.761 131 K HA 0.300 4.619 4.320 -0.000 0.000 0.196 131 K C -1.029 175.580 176.600 0.015 0.000 1.134 131 K CA -0.045 56.255 56.287 0.022 0.000 1.082 131 K CB 0.943 33.454 32.500 0.018 0.000 0.768 131 K HN 0.133 nan 8.250 nan 0.000 0.475 132 V N 2.023 121.945 119.914 0.013 0.000 2.529 132 V HA -0.005 4.115 4.120 -0.000 0.000 0.292 132 V C 0.908 177.010 176.094 0.012 0.000 1.028 132 V CA 0.792 63.096 62.300 0.007 0.000 1.074 132 V CB 0.890 32.714 31.823 0.002 0.000 0.958 132 V HN 0.356 nan 8.190 nan 0.000 0.481 133 K N 1.676 122.081 120.400 0.008 0.000 2.550 133 K HA 0.092 4.412 4.320 -0.000 0.000 0.205 133 K C 0.548 177.154 176.600 0.009 0.000 1.429 133 K CA 0.045 56.339 56.287 0.011 0.000 0.997 133 K CB 0.379 32.886 32.500 0.012 0.000 1.328 133 K HN 0.816 nan 8.250 nan 0.000 0.546 134 D N 3.517 123.919 120.400 0.003 0.000 2.982 134 D HA -0.029 4.611 4.640 -0.000 0.000 0.238 134 D C 0.987 177.285 176.300 -0.003 0.000 1.168 134 D CA -0.099 53.901 54.000 0.000 0.000 0.947 134 D CB -0.040 40.757 40.800 -0.005 0.000 1.147 134 D HN 0.079 nan 8.370 nan 0.000 0.450 135 L N -0.907 120.319 121.223 0.004 0.000 2.447 135 L HA -0.152 4.188 4.340 -0.000 0.000 0.225 135 L C 2.065 178.937 176.870 0.003 0.000 1.148 135 L CA 1.174 56.017 54.840 0.005 0.000 0.808 135 L CB -1.988 40.080 42.059 0.016 0.000 0.928 135 L HN 0.150 nan 8.230 nan 0.000 0.448 136 S N -1.508 114.193 115.700 0.001 0.000 2.465 136 S HA -0.155 4.315 4.470 -0.000 0.000 0.241 136 S C 1.810 176.381 174.600 -0.047 0.000 1.000 136 S CA 1.130 59.321 58.200 -0.016 0.000 0.964 136 S CB -0.931 62.259 63.200 -0.018 0.000 0.763 136 S HN 0.542 nan 8.310 nan 0.000 0.512 137 S N 1.442 117.120 115.700 -0.036 0.000 2.603 137 S HA 0.243 4.713 4.470 -0.000 0.000 0.229 137 S C 1.241 175.812 174.600 -0.047 0.000 0.972 137 S CA 0.516 58.690 58.200 -0.044 0.000 0.935 137 S CB -0.412 62.767 63.200 -0.035 0.000 0.769 137 S HN 0.553 nan 8.310 nan 0.000 0.536 138 L N 0.111 121.310 121.223 -0.040 0.000 2.616 138 L HA 0.212 4.552 4.340 -0.000 0.000 0.229 138 L C 1.897 178.744 176.870 -0.038 0.000 1.110 138 L CA 0.017 54.837 54.840 -0.034 0.000 0.884 138 L CB -0.264 41.784 42.059 -0.019 0.000 1.115 138 L HN 0.094 nan 8.230 nan 0.000 0.481 139 K N 0.995 121.351 120.400 -0.073 0.000 2.081 139 K HA -0.255 4.065 4.320 -0.000 0.000 0.222 139 K C 0.087 176.650 176.600 -0.063 0.000 1.055 139 K CA 2.137 58.346 56.287 -0.131 0.000 0.954 139 K CB -0.280 32.030 32.500 -0.317 0.000 0.732 139 K HN 0.276 nan 8.250 nan 0.000 0.458 140 D N 0.274 120.635 120.400 -0.065 0.000 3.168 140 D HA 0.156 4.796 4.640 -0.000 0.000 0.255 140 D C -0.552 175.731 176.300 -0.028 0.000 1.314 140 D CA 0.256 54.233 54.000 -0.038 0.000 0.900 140 D CB 0.052 40.824 40.800 -0.046 0.000 1.072 140 D HN 0.067 nan 8.370 nan 0.000 0.487 141 L N 1.167 122.379 121.223 -0.018 0.000 2.892 141 L HA 0.180 4.520 4.340 -0.000 0.000 0.251 141 L C 1.077 177.941 176.870 -0.010 0.000 1.339 141 L CA -0.279 54.548 54.840 -0.021 0.000 0.900 141 L CB 0.551 42.593 42.059 -0.027 0.000 1.246 141 L HN -0.162 nan 8.230 nan 0.000 0.524 142 K N 0.251 120.648 120.400 -0.005 0.000 2.589 142 K HA -0.013 4.307 4.320 -0.000 0.000 0.192 142 K C 0.905 177.502 176.600 -0.005 0.000 1.029 142 K CA 0.481 56.770 56.287 0.003 0.000 1.031 142 K CB 0.085 32.589 32.500 0.006 0.000 0.821 142 K HN 0.382 nan 8.250 nan 0.000 0.502 143 K N 0.500 120.889 120.400 -0.018 0.000 2.387 143 K HA 0.120 4.440 4.320 -0.000 0.000 0.203 143 K C -0.037 176.543 176.600 -0.034 0.000 1.030 143 K CA -0.354 55.916 56.287 -0.029 0.000 1.099 143 K CB 0.350 32.824 32.500 -0.044 0.000 0.863 143 K HN -0.059 nan 8.250 nan 0.000 0.529 144 L N 1.748 122.958 121.223 -0.022 0.000 2.360 144 L HA 0.054 4.394 4.340 -0.000 0.000 0.276 144 L C 0.756 177.641 176.870 0.025 0.000 1.121 144 L CA 0.512 55.342 54.840 -0.016 0.000 0.845 144 L CB 0.660 42.706 42.059 -0.022 0.000 1.143 144 L HN -0.155 nan 8.230 nan 0.000 0.452 145 K N 1.750 122.193 120.400 0.071 0.000 2.274 145 K HA 0.229 4.549 4.320 -0.000 0.000 0.219 145 K C 0.149 176.845 176.600 0.160 0.000 1.058 145 K CA 0.369 56.741 56.287 0.141 0.000 0.920 145 K CB -0.178 32.461 32.500 0.232 0.000 1.124 145 K HN 0.530 nan 8.250 nan 0.000 0.464 146 S N 1.706 117.540 115.700 0.223 0.000 2.448 146 S HA 0.438 4.908 4.470 -0.000 0.000 0.320 146 S C -0.984 173.530 174.600 -0.143 0.000 1.071 146 S CA -0.670 57.585 58.200 0.092 0.000 1.113 146 S CB -0.057 63.149 63.200 0.011 0.000 0.972 146 S HN 0.159 nan 8.310 nan 0.000 0.465 147 L N 4.788 125.987 121.223 -0.039 0.000 2.334 147 L HA 0.820 5.159 4.340 -0.000 0.000 0.276 147 L C -0.500 176.380 176.870 0.015 0.000 1.014 147 L CA 0.112 54.883 54.840 -0.115 0.000 0.815 147 L CB 2.024 44.067 42.059 -0.027 0.000 1.268 147 L HN 0.536 nan 8.230 nan 0.000 0.428 148 S N 4.617 120.279 115.700 -0.064 0.000 2.647 148 S HA 0.677 5.147 4.470 -0.000 0.000 0.300 148 S C -0.395 174.265 174.600 0.101 0.000 1.129 148 S CA -0.509 57.757 58.200 0.111 0.000 1.029 148 S CB 0.647 63.951 63.200 0.174 0.000 1.007 148 S HN 0.724 nan 8.310 nan 0.000 0.484 149 L N 3.589 124.886 121.223 0.123 0.000 3.431 149 L HA 0.351 4.690 4.340 -0.000 0.000 0.316 149 L C 0.247 177.178 176.870 0.103 0.000 1.305 149 L CA -0.267 54.628 54.840 0.091 0.000 0.995 149 L CB 0.508 42.604 42.059 0.061 0.000 1.411 149 L HN 0.569 nan 8.230 nan 0.000 0.610 150 E N 0.028 120.310 120.200 0.136 0.000 2.418 150 E HA 0.048 4.398 4.350 -0.000 0.000 0.261 150 E C 0.117 176.835 176.600 0.198 0.000 1.070 150 E CA -0.122 56.358 56.400 0.133 0.000 0.931 150 E CB 0.208 30.013 29.700 0.175 0.000 0.954 150 E HN 0.204 nan 8.360 nan 0.000 0.439 151 H N 0.405 119.493 119.070 0.031 0.000 3.080 151 H HA -0.173 4.383 4.556 -0.000 0.000 0.254 151 H C 0.098 175.439 175.328 0.021 0.000 1.179 151 H CA 0.684 56.745 56.048 0.022 0.000 1.144 151 H CB -1.238 28.535 29.762 0.019 0.000 1.261 151 H HN 0.617 nan 8.280 nan 0.000 0.333 152 N N 0.383 119.143 118.700 0.100 0.000 2.270 152 N HA 0.102 4.842 4.740 -0.000 0.000 0.198 152 N C 1.403 176.939 175.510 0.043 0.000 1.117 152 N CA 0.599 53.690 53.050 0.068 0.000 0.845 152 N CB 0.619 39.139 38.487 0.056 0.000 0.980 152 N HN 0.543 nan 8.380 nan 0.000 0.486 153 G N 2.022 110.841 108.800 0.032 0.000 2.283 153 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.280 153 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.280 153 G C 0.104 175.014 174.900 0.018 0.000 1.029 153 G CA 0.012 45.124 45.100 0.020 0.000 0.840 153 G HN 0.351 nan 8.290 nan 0.000 0.505 154 I N 0.635 121.216 120.570 0.018 0.000 2.533 154 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 154 I C 1.487 177.613 176.117 0.016 0.000 1.109 154 I CA 0.003 61.314 61.300 0.018 0.000 1.412 154 I CB 1.149 39.163 38.000 0.022 0.000 1.396 154 I HN 0.089 nan 8.210 nan 0.000 0.543 155 S N 3.194 118.904 115.700 0.017 0.000 2.438 155 S HA -0.020 4.450 4.470 -0.000 0.000 0.220 155 S C 0.349 174.960 174.600 0.019 0.000 1.045 155 S CA 0.274 58.484 58.200 0.017 0.000 0.940 155 S CB -0.009 63.201 63.200 0.017 0.000 0.863 155 S HN 0.795 nan 8.310 nan 0.000 0.539 156 D N 0.367 120.778 120.400 0.019 0.000 2.229 156 D HA 0.365 5.005 4.640 -0.000 0.000 0.249 156 D C 0.398 176.711 176.300 0.021 0.000 1.027 156 D CA -0.430 53.582 54.000 0.020 0.000 0.923 156 D CB 0.823 41.635 40.800 0.019 0.000 1.174 156 D HN 0.157 nan 8.370 nan 0.000 0.443 157 I N -0.073 120.510 120.570 0.022 0.000 4.541 157 I HA 0.211 4.381 4.170 -0.000 0.000 0.337 157 I C 0.372 176.505 176.117 0.027 0.000 1.338 157 I CA -0.097 61.217 61.300 0.025 0.000 1.244 157 I CB -1.008 37.005 38.000 0.022 0.000 1.417 157 I HN 0.388 nan 8.210 nan 0.000 0.501 158 N N 2.595 121.311 118.700 0.026 0.000 2.258 158 N HA -0.149 4.591 4.740 -0.000 0.000 0.187 158 N C 1.870 177.407 175.510 0.045 0.000 1.012 158 N CA 1.470 54.535 53.050 0.025 0.000 0.870 158 N CB -0.027 38.473 38.487 0.023 0.000 0.977 158 N HN 0.630 nan 8.380 nan 0.000 0.434 159 G N 1.469 110.309 108.800 0.068 0.000 2.462 159 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 159 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 159 G C 1.441 176.422 174.900 0.135 0.000 1.121 159 G CA 0.318 45.492 45.100 0.123 0.000 0.758 159 G HN 0.233 nan 8.290 nan 0.000 0.559 160 L N 0.365 121.629 121.223 0.068 0.000 2.353 160 L HA -0.040 4.300 4.340 -0.000 0.000 0.220 160 L C 2.781 179.667 176.870 0.027 0.000 1.133 160 L CA 0.156 55.027 54.840 0.051 0.000 0.798 160 L CB -0.392 41.685 42.059 0.031 0.000 0.922 160 L HN 0.173 nan 8.230 nan 0.000 0.445 161 V N -0.065 119.838 119.914 -0.019 0.000 2.439 161 V HA -0.326 3.794 4.120 -0.000 0.000 0.253 161 V C 2.091 178.089 176.094 -0.161 0.000 1.074 161 V CA 1.853 64.080 62.300 -0.122 0.000 1.076 161 V CB -0.604 31.084 31.823 -0.224 0.000 0.664 161 V HN 0.546 nan 8.190 nan 0.000 0.461 162 H N -0.358 118.712 119.070 -0.000 0.000 2.572 162 H HA 0.206 4.762 4.556 -0.000 0.000 0.278 162 H C -0.091 175.236 175.328 -0.003 0.000 1.050 162 H CA 0.348 56.394 56.048 -0.002 0.000 1.168 162 H CB -0.040 29.719 29.762 -0.005 0.000 1.316 162 H HN 0.395 nan 8.280 nan 0.000 0.610 163 L N 1.523 122.786 121.223 0.067 0.000 2.625 163 L HA 0.213 4.553 4.340 -0.000 0.000 0.255 163 L C -1.734 175.149 176.870 0.023 0.000 1.493 163 L CA -0.938 53.929 54.840 0.045 0.000 0.796 163 L CB 1.645 43.730 42.059 0.043 0.000 1.064 163 L HN -0.120 nan 8.230 nan 0.000 0.516 164 P HA -0.162 nan 4.420 nan 0.000 0.236 164 P C 0.716 178.025 177.300 0.014 0.000 1.172 164 P CA 0.867 63.971 63.100 0.005 0.000 0.759 164 P CB 0.356 32.055 31.700 -0.002 0.000 0.843 165 Q N -0.831 118.982 119.800 0.021 0.000 2.356 165 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 165 Q C 0.868 176.889 176.000 0.035 0.000 0.901 165 Q CA -0.136 55.682 55.803 0.025 0.000 0.938 165 Q CB -0.735 28.017 28.738 0.022 0.000 1.081 165 Q HN 0.265 nan 8.270 nan 0.000 0.517 166 L N 1.930 123.174 121.223 0.035 0.000 2.573 166 L HA -0.090 4.250 4.340 -0.000 0.000 0.290 166 L C 1.072 177.975 176.870 0.054 0.000 1.247 166 L CA 0.849 55.717 54.840 0.047 0.000 0.876 166 L CB 0.413 42.496 42.059 0.040 0.000 1.123 166 L HN 0.259 nan 8.230 nan 0.000 0.505 167 E N 0.036 120.283 120.200 0.078 0.000 2.571 167 E HA 0.132 4.482 4.350 -0.000 0.000 0.222 167 E C -0.623 176.030 176.600 0.089 0.000 0.904 167 E CA 0.010 56.459 56.400 0.082 0.000 1.157 167 E CB 0.883 30.645 29.700 0.104 0.000 1.158 167 E HN 0.556 nan 8.360 nan 0.000 0.540 168 S N 1.379 117.148 115.700 0.114 0.000 2.571 168 S HA 0.277 4.747 4.470 -0.000 0.000 0.238 168 S C -1.136 173.562 174.600 0.163 0.000 1.153 168 S CA -0.641 57.643 58.200 0.140 0.000 1.141 168 S CB 1.315 64.716 63.200 0.334 0.000 1.133 168 S HN 0.032 nan 8.310 nan 0.000 0.464 169 L N 3.100 124.308 121.223 -0.024 0.000 2.334 169 L HA 0.613 4.953 4.340 -0.000 0.000 0.277 169 L C -1.443 175.326 176.870 -0.169 0.000 1.075 169 L CA -0.325 54.525 54.840 0.016 0.000 0.804 169 L CB 0.337 42.392 42.059 -0.006 0.000 1.174 169 L HN 0.676 nan 8.230 nan 0.000 0.438 170 Y N 5.622 125.932 120.300 0.017 0.000 2.563 170 Y HA 0.355 4.905 4.550 -0.000 0.000 0.351 170 Y C -0.048 175.863 175.900 0.018 0.000 1.087 170 Y CA -0.419 57.689 58.100 0.014 0.000 1.272 170 Y CB 0.700 39.184 38.460 0.040 0.000 1.095 170 Y HN 0.393 nan 8.280 nan 0.000 0.620 171 L N 1.709 122.985 121.223 0.087 0.000 2.984 171 L HA 0.409 4.749 4.340 -0.000 0.000 0.246 171 L C 1.209 178.099 176.870 0.034 0.000 1.268 171 L CA -0.363 54.515 54.840 0.062 0.000 1.054 171 L CB -0.057 42.024 42.059 0.037 0.000 1.393 171 L HN 0.641 nan 8.230 nan 0.000 0.532 172 G N -0.671 108.154 108.800 0.042 0.000 2.684 172 G HA2 0.054 4.014 3.960 -0.000 0.000 0.255 172 G HA3 0.054 4.014 3.960 -0.000 0.000 0.255 172 G C 0.492 175.359 174.900 -0.055 0.000 1.219 172 G CA -0.307 44.794 45.100 0.002 0.000 0.901 172 G HN 0.557 nan 8.290 nan 0.000 0.548 173 N N 0.277 118.905 118.700 -0.120 0.000 2.714 173 N HA -0.150 4.590 4.740 -0.000 0.000 0.253 173 N C -0.111 175.274 175.510 -0.208 0.000 1.024 173 N CA 1.239 54.130 53.050 -0.265 0.000 0.726 173 N CB -0.729 37.358 38.487 -0.667 0.000 0.908 173 N HN 0.578 nan 8.380 nan 0.000 0.542 174 N N 0.343 118.982 118.700 -0.102 0.000 3.566 174 N HA 0.364 5.104 4.740 -0.000 0.000 0.354 174 N C 0.387 175.878 175.510 -0.031 0.000 1.632 174 N CA -0.388 52.630 53.050 -0.054 0.000 0.690 174 N CB 0.531 39.006 38.487 -0.021 0.000 2.273 174 N HN 0.060 nan 8.380 nan 0.000 0.643 175 K N 0.466 120.861 120.400 -0.008 0.000 2.676 175 K HA 0.473 4.793 4.320 -0.000 0.000 0.205 175 K C -0.368 176.241 176.600 0.016 0.000 1.084 175 K CA -0.096 56.195 56.287 0.007 0.000 1.057 175 K CB 0.465 32.973 32.500 0.012 0.000 0.791 175 K HN 0.352 nan 8.250 nan 0.000 0.484 176 I N 1.215 121.792 120.570 0.012 0.000 2.618 176 I HA -0.078 4.092 4.170 -0.000 0.000 0.284 176 I C 1.001 177.135 176.117 0.029 0.000 1.146 176 I CA 0.496 61.807 61.300 0.018 0.000 1.425 176 I CB 1.084 39.092 38.000 0.014 0.000 1.383 176 I HN 0.176 nan 8.210 nan 0.000 0.562 177 T N 3.073 117.647 114.554 0.033 0.000 3.348 177 T HA 0.004 4.354 4.350 -0.000 0.000 0.233 177 T C 0.202 174.924 174.700 0.037 0.000 0.960 177 T CA 0.069 62.196 62.100 0.044 0.000 1.343 177 T CB -0.050 68.842 68.868 0.041 0.000 1.068 177 T HN 0.704 nan 8.240 nan 0.000 0.410 178 D N 0.903 121.320 120.400 0.028 0.000 2.339 178 D HA 0.289 4.929 4.640 -0.000 0.000 0.245 178 D C 0.544 176.855 176.300 0.019 0.000 1.115 178 D CA -0.206 53.808 54.000 0.022 0.000 0.917 178 D CB 0.530 41.340 40.800 0.018 0.000 1.192 178 D HN 0.467 nan 8.370 nan 0.000 0.428 179 I N -1.426 119.153 120.570 0.015 0.000 4.263 179 I HA 0.159 4.328 4.170 -0.000 0.000 0.335 179 I C 0.680 176.801 176.117 0.006 0.000 1.389 179 I CA -0.545 60.762 61.300 0.011 0.000 1.156 179 I CB 0.319 38.327 38.000 0.013 0.000 1.510 179 I HN 0.190 nan 8.210 nan 0.000 0.566 180 T N 0.868 115.425 114.554 0.004 0.000 2.897 180 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 180 T C 2.004 176.701 174.700 -0.006 0.000 1.084 180 T CA 1.678 63.777 62.100 -0.001 0.000 1.123 180 T CB -0.283 68.584 68.868 -0.001 0.000 0.865 180 T HN 0.445 nan 8.240 nan 0.000 0.496 181 V N 2.091 122.002 119.914 -0.005 0.000 2.324 181 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 181 V C 2.095 178.182 176.094 -0.011 0.000 1.060 181 V CA 1.681 63.974 62.300 -0.011 0.000 1.042 181 V CB -0.716 31.105 31.823 -0.004 0.000 0.650 181 V HN 0.607 nan 8.190 nan 0.000 0.450 182 L N 0.575 121.795 121.223 -0.005 0.000 2.450 182 L HA -0.097 4.243 4.340 -0.000 0.000 0.224 182 L C 2.534 179.400 176.870 -0.007 0.000 1.149 182 L CA 1.365 56.203 54.840 -0.004 0.000 0.816 182 L CB -0.898 41.161 42.059 -0.001 0.000 0.932 182 L HN 0.323 nan 8.230 nan 0.000 0.449 183 S N 0.176 115.870 115.700 -0.009 0.000 2.465 183 S HA -0.114 4.356 4.470 -0.000 0.000 0.241 183 S C 1.823 176.415 174.600 -0.013 0.000 1.000 183 S CA 1.153 59.346 58.200 -0.011 0.000 0.964 183 S CB -0.168 63.025 63.200 -0.012 0.000 0.763 183 S HN 0.548 nan 8.310 nan 0.000 0.512 184 R N 0.128 120.618 120.500 -0.016 0.000 2.404 184 R HA 0.286 4.626 4.340 -0.000 0.000 0.237 184 R C 0.140 176.432 176.300 -0.013 0.000 0.907 184 R CA -0.014 56.074 56.100 -0.019 0.000 1.063 184 R CB -0.003 30.277 30.300 -0.033 0.000 1.134 184 R HN 0.311 nan 8.270 nan 0.000 0.529 185 L N 3.139 124.357 121.223 -0.008 0.000 2.803 185 L HA 0.089 4.429 4.340 -0.000 0.000 0.241 185 L C 0.694 177.566 176.870 0.003 0.000 1.404 185 L CA 0.081 54.921 54.840 0.000 0.000 1.211 185 L CB -0.392 41.669 42.059 0.004 0.000 1.585 185 L HN 0.099 nan 8.230 nan 0.000 0.430 186 T N -4.120 110.435 114.554 0.001 0.000 3.535 186 T HA 0.065 4.415 4.350 -0.000 0.000 0.238 186 T C 0.941 175.646 174.700 0.008 0.000 0.909 186 T CA -0.168 61.934 62.100 0.003 0.000 0.928 186 T CB 0.045 68.913 68.868 -0.000 0.000 1.134 186 T HN 0.236 nan 8.240 nan 0.000 0.627 187 K N 0.198 120.606 120.400 0.013 0.000 2.567 187 K HA 0.396 4.715 4.320 -0.000 0.000 0.218 187 K C 0.287 176.903 176.600 0.027 0.000 1.440 187 K CA -0.258 56.042 56.287 0.021 0.000 0.995 187 K CB 0.148 32.663 32.500 0.026 0.000 1.186 187 K HN 0.436 nan 8.250 nan 0.000 0.593 188 L N 3.453 124.689 121.223 0.022 0.000 2.700 188 L HA -0.032 4.308 4.340 -0.000 0.000 0.272 188 L C 0.361 177.244 176.870 0.020 0.000 1.176 188 L CA 0.169 55.021 54.840 0.021 0.000 0.961 188 L CB 0.331 42.393 42.059 0.006 0.000 1.249 188 L HN 0.329 nan 8.230 nan 0.000 0.487 189 D N -0.478 119.941 120.400 0.032 0.000 2.354 189 D HA 0.014 4.654 4.640 -0.000 0.000 0.209 189 D C 0.416 176.736 176.300 0.033 0.000 1.015 189 D CA 0.114 54.134 54.000 0.033 0.000 0.867 189 D CB 0.323 41.151 40.800 0.045 0.000 0.933 189 D HN 0.388 nan 8.370 nan 0.000 0.520 190 T N -0.164 114.400 114.554 0.016 0.000 2.907 190 T HA 0.647 4.997 4.350 -0.000 0.000 0.290 190 T C -1.320 173.330 174.700 -0.084 0.000 1.066 190 T CA -0.790 61.303 62.100 -0.012 0.000 1.012 190 T CB 2.174 71.013 68.868 -0.048 0.000 1.184 190 T HN 0.085 nan 8.240 nan 0.000 0.522 191 L N 1.093 122.243 121.223 -0.121 0.000 3.657 191 L HA 0.526 4.866 4.340 -0.000 0.000 0.264 191 L C -0.693 176.129 176.870 -0.080 0.000 0.988 191 L CA -0.205 54.552 54.840 -0.139 0.000 1.245 191 L CB 1.257 43.296 42.059 -0.034 0.000 1.965 191 L HN 0.684 nan 8.230 nan 0.000 0.626 192 S N 3.636 119.185 115.700 -0.251 0.000 2.686 192 S HA 0.890 5.360 4.470 -0.000 0.000 0.270 192 S C 0.325 174.915 174.600 -0.018 0.000 1.194 192 S CA -0.001 58.123 58.200 -0.127 0.000 0.990 192 S CB 0.829 63.920 63.200 -0.182 0.000 1.029 192 S HN 0.835 nan 8.310 nan 0.000 0.560 193 L N 0.107 121.342 121.223 0.020 0.000 5.773 193 L HA 0.040 4.380 4.340 -0.000 0.000 0.594 193 L C -0.271 176.612 176.870 0.021 0.000 0.567 193 L CA -0.182 54.670 54.840 0.020 0.000 2.513 193 L CB -0.380 41.694 42.059 0.025 0.000 1.856 193 L HN 0.759 nan 8.230 nan 0.000 0.551 194 E N 0.418 120.640 120.200 0.036 0.000 2.437 194 E HA 0.040 4.390 4.350 -0.000 0.000 0.263 194 E C -0.027 176.564 176.600 -0.014 0.000 1.030 194 E CA 0.129 56.548 56.400 0.031 0.000 0.934 194 E CB 0.376 30.111 29.700 0.059 0.000 0.943 194 E HN 0.177 nan 8.360 nan 0.000 0.444 195 D N 1.370 121.750 120.400 -0.033 0.000 2.956 195 D HA -0.176 4.463 4.640 -0.000 0.000 0.240 195 D C -1.106 175.148 176.300 -0.077 0.000 1.141 195 D CA 0.856 54.816 54.000 -0.066 0.000 0.820 195 D CB -1.022 39.737 40.800 -0.067 0.000 0.988 195 D HN 0.649 nan 8.370 nan 0.000 0.417 196 N N 0.325 118.971 118.700 -0.091 0.000 3.567 196 N HA 0.363 5.103 4.740 -0.000 0.000 0.347 196 N C -0.013 175.428 175.510 -0.115 0.000 1.553 196 N CA -0.426 52.582 53.050 -0.070 0.000 0.636 196 N CB 0.429 38.896 38.487 -0.033 0.000 2.483 196 N HN 0.120 nan 8.380 nan 0.000 0.608 197 Q N 0.680 120.459 119.800 -0.034 0.000 2.063 197 Q HA 0.436 4.776 4.340 -0.000 0.000 0.245 197 Q C -0.855 175.235 176.000 0.151 0.000 0.828 197 Q CA -0.135 55.721 55.803 0.087 0.000 1.089 197 Q CB 0.687 29.550 28.738 0.209 0.000 1.232 197 Q HN 0.432 nan 8.270 nan 0.000 0.445 198 I N 1.739 122.333 120.570 0.040 0.000 2.671 198 I HA -0.095 4.075 4.170 -0.000 0.000 0.285 198 I C 1.271 177.450 176.117 0.103 0.000 1.148 198 I CA 0.421 61.756 61.300 0.059 0.000 1.386 198 I CB 0.590 38.607 38.000 0.029 0.000 1.406 198 I HN 0.287 nan 8.210 nan 0.000 0.540 199 S N 2.716 118.487 115.700 0.119 0.000 2.502 199 S HA 0.032 4.502 4.470 -0.000 0.000 0.228 199 S C 0.429 175.074 174.600 0.076 0.000 1.061 199 S CA -0.263 58.012 58.200 0.125 0.000 0.935 199 S CB 0.144 63.407 63.200 0.105 0.000 0.809 199 S HN 0.656 nan 8.310 nan 0.000 0.510 200 D N 1.400 121.832 120.400 0.053 0.000 2.303 200 D HA 0.408 5.048 4.640 -0.000 0.000 0.236 200 D C 0.641 176.956 176.300 0.024 0.000 1.068 200 D CA -0.692 53.327 54.000 0.032 0.000 0.830 200 D CB 1.136 41.950 40.800 0.023 0.000 1.109 200 D HN 0.426 nan 8.370 nan 0.000 0.496 201 I N 0.952 121.530 120.570 0.014 0.000 4.082 201 I HA 0.127 4.297 4.170 -0.000 0.000 0.337 201 I C 1.055 177.169 176.117 -0.005 0.000 1.352 201 I CA -0.343 60.960 61.300 0.006 0.000 1.097 201 I CB 0.343 38.345 38.000 0.003 0.000 1.048 201 I HN 0.139 nan 8.210 nan 0.000 0.393 202 V N 2.795 122.705 119.914 -0.006 0.000 2.313 202 V HA -0.195 3.925 4.120 -0.000 0.000 0.253 202 V C 0.082 176.170 176.094 -0.010 0.000 1.070 202 V CA 2.595 64.888 62.300 -0.011 0.000 1.057 202 V CB -1.999 29.819 31.823 -0.009 0.000 0.653 202 V HN 0.389 nan 8.190 nan 0.000 0.450 203 P HA -0.180 nan 4.420 nan 0.000 0.217 203 P C 1.670 178.965 177.300 -0.007 0.000 1.151 203 P CA 1.446 64.542 63.100 -0.005 0.000 0.849 203 P CB -0.191 31.508 31.700 -0.002 0.000 0.787 204 L N -1.965 119.253 121.223 -0.008 0.000 2.549 204 L HA -0.077 4.263 4.340 -0.000 0.000 0.229 204 L C 2.369 179.231 176.870 -0.013 0.000 1.158 204 L CA 0.680 55.514 54.840 -0.010 0.000 0.842 204 L CB -1.146 40.907 42.059 -0.010 0.000 0.952 204 L HN -0.051 nan 8.230 nan 0.000 0.452 205 A N 1.144 123.955 122.820 -0.015 0.000 1.884 205 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 205 A C 2.253 179.828 177.584 -0.015 0.000 1.197 205 A CA 2.117 54.144 52.037 -0.017 0.000 0.637 205 A CB -1.215 17.775 19.000 -0.017 0.000 0.827 205 A HN 0.450 nan 8.150 nan 0.000 0.450 206 G N -1.566 107.227 108.800 -0.012 0.000 3.181 206 G HA2 0.356 4.316 3.960 -0.000 0.000 0.219 206 G HA3 0.356 4.316 3.960 -0.000 0.000 0.219 206 G C 0.276 175.172 174.900 -0.008 0.000 1.182 206 G CA -0.158 44.936 45.100 -0.010 0.000 0.791 206 G HN 0.278 nan 8.290 nan 0.000 0.537 207 L N 2.507 123.724 121.223 -0.009 0.000 2.919 207 L HA 0.152 4.491 4.340 -0.000 0.000 0.242 207 L C 2.371 179.237 176.870 -0.006 0.000 1.366 207 L CA 0.325 55.161 54.840 -0.006 0.000 1.212 207 L CB -0.664 41.391 42.059 -0.007 0.000 1.604 207 L HN 0.258 nan 8.230 nan 0.000 0.433 208 T N -3.770 110.780 114.554 -0.006 0.000 2.977 208 T HA -0.192 4.158 4.350 -0.000 0.000 0.271 208 T C 1.512 176.211 174.700 -0.002 0.000 1.105 208 T CA 1.037 63.134 62.100 -0.006 0.000 1.116 208 T CB -0.184 68.681 68.868 -0.005 0.000 0.878 208 T HN 0.343 nan 8.240 nan 0.000 0.509 209 K N 0.371 120.772 120.400 0.002 0.000 2.476 209 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 209 K C 0.664 177.269 176.600 0.008 0.000 1.025 209 K CA -0.278 56.013 56.287 0.007 0.000 1.138 209 K CB -0.133 32.373 32.500 0.011 0.000 0.860 209 K HN 0.440 nan 8.250 nan 0.000 0.515 210 L N 0.249 121.474 121.223 0.002 0.000 2.416 210 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 210 L C 1.442 178.313 176.870 0.001 0.000 1.200 210 L CA 0.919 55.760 54.840 0.001 0.000 0.841 210 L CB 0.313 42.368 42.059 -0.007 0.000 1.299 210 L HN 0.207 nan 8.230 nan 0.000 0.538 211 Q N -1.287 118.512 119.800 -0.002 0.000 2.015 211 Q HA 0.070 4.410 4.340 -0.000 0.000 0.167 211 Q C -0.969 175.019 176.000 -0.019 0.000 0.695 211 Q CA -0.198 55.603 55.803 -0.004 0.000 0.805 211 Q CB 0.602 29.349 28.738 0.014 0.000 1.201 211 Q HN 0.643 nan 8.270 nan 0.000 0.370 212 N N 1.909 120.612 118.700 0.005 0.000 2.696 212 N HA 0.322 5.062 4.740 -0.000 0.000 0.246 212 N C -1.649 173.860 175.510 -0.002 0.000 1.057 212 N CA -0.188 52.859 53.050 -0.004 0.000 0.867 212 N CB 1.869 40.464 38.487 0.181 0.000 1.141 212 N HN 0.205 nan 8.380 nan 0.000 0.517 213 L N 2.284 123.375 121.223 -0.220 0.000 2.325 213 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 213 L C -1.508 175.146 176.870 -0.359 0.000 1.023 213 L CA -0.680 54.087 54.840 -0.122 0.000 0.811 213 L CB 0.673 42.684 42.059 -0.080 0.000 1.249 213 L HN 0.293 nan 8.230 nan 0.000 0.431 214 Y N 5.668 125.950 120.300 -0.030 0.000 2.445 214 Y HA 0.434 4.984 4.550 -0.000 0.000 0.332 214 Y C -0.068 175.833 175.900 0.001 0.000 1.037 214 Y CA -0.613 57.481 58.100 -0.010 0.000 1.296 214 Y CB 1.100 39.545 38.460 -0.024 0.000 1.099 214 Y HN 0.427 nan 8.280 nan 0.000 0.496 215 L N 1.596 122.889 121.223 0.116 0.000 3.110 215 L HA 0.289 4.629 4.340 -0.000 0.000 0.266 215 L C 0.348 177.278 176.870 0.101 0.000 1.257 215 L CA -0.139 54.758 54.840 0.094 0.000 1.038 215 L CB 0.150 42.254 42.059 0.074 0.000 1.395 215 L HN 0.450 nan 8.230 nan 0.000 0.566 216 S N 0.296 116.067 115.700 0.118 0.000 2.598 216 S HA 0.074 4.544 4.470 -0.000 0.000 0.256 216 S C 0.962 175.591 174.600 0.048 0.000 1.350 216 S CA -0.458 57.810 58.200 0.113 0.000 0.984 216 S CB 0.349 63.628 63.200 0.133 0.000 0.930 216 S HN 0.281 nan 8.310 nan 0.000 0.577 217 K N -0.481 119.934 120.400 0.026 0.000 3.013 217 K HA -0.187 4.132 4.320 -0.000 0.000 0.275 217 K C -0.245 176.278 176.600 -0.129 0.000 1.086 217 K CA 0.775 57.040 56.287 -0.036 0.000 0.814 217 K CB -1.938 30.547 32.500 -0.025 0.000 1.212 217 K HN 0.536 nan 8.250 nan 0.000 0.468 218 N N 0.264 118.892 118.700 -0.120 0.000 2.643 218 N HA 0.198 4.938 4.740 -0.000 0.000 0.305 218 N C 0.259 175.603 175.510 -0.277 0.000 1.283 218 N CA -0.440 52.466 53.050 -0.239 0.000 0.946 218 N CB 0.411 38.851 38.487 -0.079 0.000 1.149 218 N HN 0.082 nan 8.380 nan 0.000 0.600 219 H N 0.817 119.918 119.070 0.052 0.000 2.452 219 H HA 0.283 4.838 4.556 -0.000 0.000 0.240 219 H C -0.246 175.137 175.328 0.092 0.000 1.498 219 H CA -0.244 55.837 56.048 0.055 0.000 1.142 219 H CB -0.245 29.538 29.762 0.034 0.000 1.599 219 H HN 0.227 nan 8.280 nan 0.000 0.527 220 I N 1.340 122.037 120.570 0.213 0.000 2.347 220 I HA 0.009 4.179 4.170 -0.000 0.000 0.294 220 I C 1.148 177.469 176.117 0.341 0.000 1.090 220 I CA 0.291 61.743 61.300 0.253 0.000 1.314 220 I CB 0.749 38.944 38.000 0.325 0.000 1.423 220 I HN 0.153 nan 8.210 nan 0.000 0.503 221 S N 3.852 119.674 115.700 0.203 0.000 2.398 221 S HA -0.030 4.439 4.470 -0.000 0.000 0.220 221 S C 0.649 175.287 174.600 0.065 0.000 1.046 221 S CA 0.242 58.537 58.200 0.158 0.000 0.953 221 S CB 0.137 63.388 63.200 0.085 0.000 0.856 221 S HN 0.771 nan 8.310 nan 0.000 0.506 222 D N -0.250 120.149 120.400 -0.001 0.000 2.354 222 D HA 0.371 5.011 4.640 -0.000 0.000 0.247 222 D C 0.384 176.570 176.300 -0.190 0.000 1.138 222 D CA 0.036 53.985 54.000 -0.084 0.000 0.958 222 D CB 0.661 41.432 40.800 -0.048 0.000 1.144 222 D HN 0.034 nan 8.370 nan 0.000 0.458 223 L N 1.201 122.284 121.223 -0.233 0.000 3.467 223 L HA 0.225 4.565 4.340 -0.000 0.000 0.315 223 L C 1.947 178.713 176.870 -0.172 0.000 1.184 223 L CA -0.230 54.441 54.840 -0.283 0.000 1.124 223 L CB 0.172 41.932 42.059 -0.498 0.000 1.585 223 L HN 0.350 nan 8.230 nan 0.000 0.617 224 R N 0.896 121.320 120.500 -0.126 0.000 2.211 224 R HA -0.174 4.166 4.340 -0.000 0.000 0.240 224 R C 2.257 178.516 176.300 -0.069 0.000 1.144 224 R CA 1.358 57.407 56.100 -0.084 0.000 0.992 224 R CB -0.213 30.050 30.300 -0.061 0.000 0.869 224 R HN 0.387 nan 8.270 nan 0.000 0.462 225 A N 1.176 123.953 122.820 -0.071 0.000 1.851 225 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 225 A C 1.700 179.255 177.584 -0.050 0.000 1.195 225 A CA 1.401 53.407 52.037 -0.052 0.000 0.622 225 A CB -0.404 18.567 19.000 -0.047 0.000 0.831 225 A HN 0.186 nan 8.150 nan 0.000 0.444 226 L N 0.040 121.225 121.223 -0.063 0.000 2.693 226 L HA 0.245 4.585 4.340 -0.000 0.000 0.242 226 L C 2.265 179.105 176.870 -0.050 0.000 1.157 226 L CA 0.755 55.563 54.840 -0.054 0.000 0.929 226 L CB -1.023 40.999 42.059 -0.062 0.000 1.103 226 L HN 0.328 nan 8.230 nan 0.000 0.430 227 A N 0.471 123.261 122.820 -0.050 0.000 2.139 227 A HA -0.076 4.244 4.320 -0.000 0.000 0.221 227 A C 2.166 179.731 177.584 -0.032 0.000 1.159 227 A CA 1.668 53.679 52.037 -0.043 0.000 0.662 227 A CB -0.645 18.331 19.000 -0.040 0.000 0.796 227 A HN 0.487 nan 8.150 nan 0.000 0.463 228 G N -1.378 107.405 108.800 -0.028 0.000 3.324 228 G HA2 0.388 4.348 3.960 -0.000 0.000 0.251 228 G HA3 0.388 4.348 3.960 -0.000 0.000 0.251 228 G C 0.499 175.387 174.900 -0.020 0.000 1.072 228 G CA -0.318 44.769 45.100 -0.021 0.000 0.787 228 G HN 0.347 nan 8.290 nan 0.000 0.537 229 L N 1.153 122.362 121.223 -0.024 0.000 2.858 229 L HA 0.175 4.514 4.340 -0.000 0.000 0.243 229 L C 1.764 178.623 176.870 -0.019 0.000 1.416 229 L CA -0.044 54.782 54.840 -0.022 0.000 1.182 229 L CB -0.006 42.036 42.059 -0.029 0.000 1.564 229 L HN 0.130 nan 8.230 nan 0.000 0.436 230 K N 0.619 121.010 120.400 -0.015 0.000 2.616 230 K HA -0.073 4.247 4.320 -0.000 0.000 0.192 230 K C 0.848 177.442 176.600 -0.009 0.000 1.031 230 K CA 0.605 56.885 56.287 -0.012 0.000 1.004 230 K CB -0.025 32.469 32.500 -0.009 0.000 0.810 230 K HN 0.554 nan 8.250 nan 0.000 0.497 231 N N -0.556 118.138 118.700 -0.010 0.000 2.171 231 N HA 0.132 4.872 4.740 -0.000 0.000 0.212 231 N C -0.480 175.024 175.510 -0.010 0.000 1.184 231 N CA -0.382 52.664 53.050 -0.007 0.000 0.888 231 N CB 0.611 39.097 38.487 -0.002 0.000 1.038 231 N HN 0.009 nan 8.380 nan 0.000 0.517 232 L N 0.642 121.854 121.223 -0.019 0.000 2.503 232 L HA -0.083 4.257 4.340 -0.000 0.000 0.287 232 L C 1.024 177.878 176.870 -0.026 0.000 1.252 232 L CA 1.001 55.823 54.840 -0.029 0.000 0.835 232 L CB 0.438 42.471 42.059 -0.042 0.000 1.099 232 L HN 0.219 nan 8.230 nan 0.000 0.516 233 D N -0.523 119.856 120.400 -0.035 0.000 2.135 233 D HA 0.095 4.735 4.640 -0.000 0.000 0.318 233 D C -0.562 175.710 176.300 -0.047 0.000 1.109 233 D CA 0.253 54.237 54.000 -0.027 0.000 0.952 233 D CB 0.773 41.566 40.800 -0.010 0.000 1.816 233 D HN 0.107 nan 8.370 nan 0.000 0.528 234 V N 1.721 121.585 119.914 -0.083 0.000 2.656 234 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 234 V C -1.170 174.768 176.094 -0.261 0.000 1.051 234 V CA -0.824 61.389 62.300 -0.145 0.000 0.893 234 V CB 2.058 33.803 31.823 -0.131 0.000 0.999 234 V HN 0.243 nan 8.190 nan 0.000 0.426 235 L N 3.424 124.494 121.223 -0.256 0.000 2.466 235 L HA 0.681 5.021 4.340 -0.000 0.000 0.258 235 L C -0.893 175.848 176.870 -0.215 0.000 0.973 235 L CA -0.114 54.567 54.840 -0.265 0.000 0.826 235 L CB 2.494 44.476 42.059 -0.128 0.000 1.372 235 L HN 0.751 nan 8.230 nan 0.000 0.409 236 E N 4.988 125.077 120.200 -0.184 0.000 2.761 236 E HA 0.339 4.689 4.350 -0.000 0.000 0.266 236 E C -1.217 175.436 176.600 0.088 0.000 1.097 236 E CA -0.093 56.291 56.400 -0.028 0.000 0.773 236 E CB 1.142 30.841 29.700 -0.001 0.000 1.453 236 E HN 0.519 nan 8.360 nan 0.000 0.388 237 L N 3.779 125.100 121.223 0.163 0.000 2.657 237 L HA 0.407 4.747 4.340 -0.000 0.000 0.239 237 L C -0.732 176.313 176.870 0.292 0.000 1.215 237 L CA -0.269 54.724 54.840 0.255 0.000 1.161 237 L CB -0.132 42.124 42.059 0.329 0.000 1.436 237 L HN 0.311 nan 8.230 nan 0.000 0.414 238 F N 0.023 119.996 119.950 0.038 0.000 2.520 238 F HA 0.401 4.927 4.527 -0.000 0.000 0.322 238 F C 0.937 176.719 175.800 -0.032 0.000 1.103 238 F CA -0.428 57.545 58.000 -0.045 0.000 0.926 238 F CB 1.873 40.802 39.000 -0.117 0.000 1.154 238 F HN 0.155 nan 8.300 nan 0.000 0.453 239 S N 2.668 118.204 115.700 -0.274 0.000 3.867 239 S HA -0.149 4.321 4.470 -0.000 0.000 0.334 239 S C -0.378 174.163 174.600 -0.099 0.000 1.069 239 S CA -0.011 58.150 58.200 -0.066 0.000 0.977 239 S CB -1.383 61.822 63.200 0.009 0.000 0.889 239 S HN 0.621 nan 8.310 nan 0.000 0.484 240 Q N 1.270 120.957 119.800 -0.190 0.000 2.432 240 Q HA 0.252 4.592 4.340 -0.000 0.000 0.264 240 Q C 0.639 176.570 176.000 -0.114 0.000 1.035 240 Q CA 0.427 56.170 55.803 -0.100 0.000 0.908 240 Q CB 0.315 29.057 28.738 0.007 0.000 1.280 240 Q HN 0.429 nan 8.270 nan 0.000 0.455 241 E N 0.903 121.125 120.200 0.035 0.000 3.935 241 E HA 0.184 4.534 4.350 -0.000 0.000 0.226 241 E C -0.708 176.019 176.600 0.212 0.000 1.220 241 E CA -0.222 56.227 56.400 0.081 0.000 1.226 241 E CB 0.201 29.960 29.700 0.097 0.000 1.237 241 E HN 0.500 nan 8.360 nan 0.000 0.417 242 C N 0.951 120.321 119.300 0.117 0.000 2.657 242 C HA 0.510 4.970 4.460 -0.000 0.000 0.404 242 C C 0.579 175.552 174.990 -0.029 0.000 1.291 242 C CA -0.622 58.437 59.018 0.068 0.000 2.218 242 C CB -0.311 27.480 27.740 0.085 0.000 2.687 242 C HN 0.545 nan 8.230 nan 0.000 0.634 243 L N 2.659 123.841 121.223 -0.068 0.000 2.371 243 L HA 0.658 4.997 4.340 -0.000 0.000 0.262 243 L C -0.895 175.958 176.870 -0.028 0.000 1.006 243 L CA -0.099 54.703 54.840 -0.063 0.000 0.818 243 L CB 1.621 43.617 42.059 -0.104 0.000 1.354 243 L HN 0.653 nan 8.230 nan 0.000 0.415 244 N N 1.844 120.543 118.700 -0.001 0.000 2.362 244 N HA 0.426 5.166 4.740 -0.000 0.000 0.299 244 N C -1.142 174.377 175.510 0.014 0.000 1.170 244 N CA -0.772 52.292 53.050 0.023 0.000 0.825 244 N CB 1.464 39.990 38.487 0.066 0.000 1.299 244 N HN 0.414 nan 8.380 nan 0.000 0.502 245 K N 1.465 121.877 120.400 0.020 0.000 2.412 245 K HA 0.237 4.557 4.320 -0.000 0.000 0.281 245 K C -2.212 174.404 176.600 0.027 0.000 1.027 245 K CA -1.299 54.999 56.287 0.017 0.000 0.989 245 K CB -0.181 32.331 32.500 0.019 0.000 0.935 245 K HN 0.313 nan 8.250 nan 0.000 0.475 246 P HA -0.061 nan 4.420 nan 0.000 0.261 246 P C -0.185 177.143 177.300 0.046 0.000 1.165 246 P CA 0.442 63.561 63.100 0.032 0.000 0.759 246 P CB 0.372 32.090 31.700 0.031 0.000 0.772 247 I N 3.238 123.843 120.570 0.058 0.000 2.603 247 I HA 0.213 4.383 4.170 -0.000 0.000 0.300 247 I C 0.181 176.355 176.117 0.095 0.000 1.017 247 I CA -1.014 60.328 61.300 0.070 0.000 1.098 247 I CB 1.692 39.737 38.000 0.075 0.000 1.279 247 I HN 0.212 nan 8.210 nan 0.000 0.437 248 N N 4.437 123.190 118.700 0.089 0.000 2.438 248 N HA 0.001 4.741 4.740 -0.000 0.000 0.267 248 N C 0.040 175.638 175.510 0.147 0.000 1.222 248 N CA 0.031 53.149 53.050 0.114 0.000 0.930 248 N CB -0.010 38.520 38.487 0.072 0.000 1.083 248 N HN 0.367 nan 8.380 nan 0.000 0.476 249 H N 2.261 121.405 119.070 0.124 0.000 2.929 249 H HA 0.111 4.667 4.556 -0.000 0.000 0.317 249 H C -0.589 174.803 175.328 0.107 0.000 1.031 249 H CA 0.369 56.497 56.048 0.134 0.000 1.466 249 H CB 0.601 30.523 29.762 0.268 0.000 1.482 249 H HN 0.467 nan 8.280 nan 0.000 0.561 250 Q N 2.291 121.805 119.800 -0.476 0.000 2.572 250 Q HA 0.307 4.647 4.340 -0.000 0.000 0.284 250 Q C 1.103 176.762 176.000 -0.568 0.000 1.091 250 Q CA -0.898 54.654 55.803 -0.418 0.000 0.840 250 Q CB 1.458 30.103 28.738 -0.156 0.000 1.433 250 Q HN 0.601 nan 8.270 nan 0.000 0.471 251 S N 0.304 115.828 115.700 -0.293 0.000 2.453 251 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 251 S C 0.299 174.765 174.600 -0.225 0.000 1.005 251 S CA 0.751 58.810 58.200 -0.235 0.000 0.949 251 S CB -0.076 63.033 63.200 -0.151 0.000 0.774 251 S HN 0.453 nan 8.310 nan 0.000 0.510 252 N N 0.824 119.437 118.700 -0.144 0.000 2.491 252 N HA 0.446 5.186 4.740 -0.000 0.000 0.274 252 N C -1.599 173.901 175.510 -0.016 0.000 1.023 252 N CA -0.427 52.587 53.050 -0.061 0.000 0.902 252 N CB 1.061 39.530 38.487 -0.031 0.000 1.267 252 N HN 0.026 nan 8.380 nan 0.000 0.503 253 L N 3.445 124.706 121.223 0.063 0.000 2.342 253 L HA 0.724 5.064 4.340 -0.000 0.000 0.271 253 L C -1.251 175.737 176.870 0.197 0.000 1.008 253 L CA -0.715 54.202 54.840 0.129 0.000 0.818 253 L CB 2.023 44.182 42.059 0.166 0.000 1.296 253 L HN 0.265 nan 8.230 nan 0.000 0.427 254 V N 4.992 125.003 119.914 0.162 0.000 2.577 254 V HA 0.431 4.550 4.120 -0.000 0.000 0.294 254 V C -0.964 175.212 176.094 0.135 0.000 1.052 254 V CA -0.588 61.777 62.300 0.108 0.000 0.891 254 V CB 1.925 33.762 31.823 0.024 0.000 1.017 254 V HN 0.478 nan 8.190 nan 0.000 0.436 255 V N 7.265 127.296 119.914 0.195 0.000 2.417 255 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 255 V C -2.290 173.873 176.094 0.114 0.000 1.024 255 V CA -2.154 60.265 62.300 0.198 0.000 0.861 255 V CB 2.388 34.414 31.823 0.339 0.000 0.985 255 V HN 0.671 nan 8.190 nan 0.000 0.436 256 P HA 0.045 nan 4.420 nan 0.000 0.268 256 P C -0.148 177.217 177.300 0.109 0.000 1.204 256 P CA 0.041 63.183 63.100 0.070 0.000 0.768 256 P CB 0.289 32.026 31.700 0.062 0.000 0.842 257 N N 1.272 120.035 118.700 0.104 0.000 2.454 257 N HA -0.006 4.734 4.740 -0.000 0.000 0.260 257 N C 1.012 176.600 175.510 0.130 0.000 1.218 257 N CA 0.213 53.346 53.050 0.139 0.000 0.904 257 N CB 0.571 39.144 38.487 0.143 0.000 1.065 257 N HN 0.445 nan 8.380 nan 0.000 0.462 258 T N -0.323 114.324 114.554 0.155 0.000 3.038 258 T HA 0.056 4.406 4.350 -0.000 0.000 0.244 258 T C 0.785 175.507 174.700 0.036 0.000 1.016 258 T CA -0.124 62.030 62.100 0.090 0.000 1.098 258 T CB -0.088 68.840 68.868 0.099 0.000 0.954 258 T HN 0.168 nan 8.240 nan 0.000 0.469 259 V N 2.601 122.516 119.914 0.002 0.000 2.843 259 V HA 0.190 4.310 4.120 -0.000 0.000 0.305 259 V C 0.142 176.195 176.094 -0.068 0.000 1.120 259 V CA 0.361 62.599 62.300 -0.103 0.000 1.254 259 V CB -0.164 31.453 31.823 -0.343 0.000 0.901 259 V HN 0.473 nan 8.190 nan 0.000 0.503 260 K N 2.749 123.097 120.400 -0.088 0.000 2.477 260 K HA 0.447 4.766 4.320 -0.000 0.000 0.255 260 K C -0.481 176.017 176.600 -0.169 0.000 0.952 260 K CA -0.954 55.277 56.287 -0.094 0.000 0.826 260 K CB 2.076 34.531 32.500 -0.075 0.000 1.331 260 K HN 0.617 nan 8.250 nan 0.000 0.437 261 N N -0.390 118.235 118.700 -0.124 0.000 2.495 261 N HA 0.118 4.858 4.740 -0.000 0.000 0.294 261 N C 1.075 176.494 175.510 -0.153 0.000 1.276 261 N CA 0.091 53.052 53.050 -0.148 0.000 0.973 261 N CB 0.817 39.268 38.487 -0.060 0.000 1.143 261 N HN 0.635 nan 8.380 nan 0.000 0.589 262 T N -2.528 111.947 114.554 -0.132 0.000 2.915 262 T HA -0.132 4.217 4.350 -0.000 0.000 0.269 262 T C 0.713 175.370 174.700 -0.071 0.000 1.071 262 T CA 1.546 63.580 62.100 -0.108 0.000 1.132 262 T CB -0.402 68.415 68.868 -0.085 0.000 0.878 262 T HN 0.643 nan 8.240 nan 0.000 0.479 263 D N 0.434 120.802 120.400 -0.053 0.000 2.350 263 D HA 0.271 4.911 4.640 -0.000 0.000 0.213 263 D C 1.616 177.896 176.300 -0.034 0.000 1.031 263 D CA 0.549 54.528 54.000 -0.035 0.000 0.861 263 D CB -0.678 40.110 40.800 -0.021 0.000 0.926 263 D HN 0.642 nan 8.370 nan 0.000 0.520 264 G N 0.256 109.028 108.800 -0.046 0.000 2.141 264 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.231 264 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.231 264 G C 0.235 175.120 174.900 -0.025 0.000 0.984 264 G CA 0.201 45.277 45.100 -0.039 0.000 0.660 264 G HN 0.796 nan 8.290 nan 0.000 0.525 265 S N 0.003 115.691 115.700 -0.021 0.000 2.545 265 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 265 S C 0.538 175.139 174.600 0.001 0.000 1.299 265 S CA -0.779 57.420 58.200 -0.002 0.000 1.048 265 S CB 1.617 64.821 63.200 0.007 0.000 0.938 265 S HN 0.656 nan 8.310 nan 0.000 0.496 266 L N 3.779 125.016 121.223 0.024 0.000 2.678 266 L HA 0.082 4.422 4.340 -0.000 0.000 0.276 266 L C -0.086 176.796 176.870 0.021 0.000 1.142 266 L CA -0.418 54.443 54.840 0.035 0.000 0.961 266 L CB -0.086 42.030 42.059 0.096 0.000 1.291 266 L HN 0.568 nan 8.230 nan 0.000 0.476 267 V N 3.178 123.078 119.914 -0.023 0.000 2.557 267 V HA -0.073 4.047 4.120 -0.000 0.000 0.301 267 V C 0.995 177.032 176.094 -0.095 0.000 1.026 267 V CA -0.049 62.235 62.300 -0.027 0.000 1.137 267 V CB 0.615 32.418 31.823 -0.033 0.000 0.917 267 V HN 0.824 nan 8.190 nan 0.000 0.484 268 T N 5.495 120.007 114.554 -0.071 0.000 2.779 268 T HA 0.302 4.652 4.350 -0.000 0.000 0.296 268 T C -2.356 172.234 174.700 -0.184 0.000 0.938 268 T CA -1.636 60.331 62.100 -0.223 0.000 1.119 268 T CB 0.684 69.540 68.868 -0.020 0.000 0.891 268 T HN 0.477 nan 8.240 nan 0.000 0.526 269 P HA 0.090 nan 4.420 nan 0.000 0.262 269 P C 0.801 178.120 177.300 0.032 0.000 1.199 269 P CA -0.053 63.021 63.100 -0.044 0.000 0.763 269 P CB 0.637 32.194 31.700 -0.239 0.000 0.790 270 E N 3.894 124.174 120.200 0.134 0.000 2.001 270 E HA -0.074 4.275 4.350 -0.000 0.000 0.193 270 E C 0.023 176.670 176.600 0.079 0.000 0.994 270 E CA 0.944 57.402 56.400 0.097 0.000 0.815 270 E CB 0.081 29.851 29.700 0.116 0.000 0.770 270 E HN 0.399 nan 8.360 nan 0.000 0.453 271 I N 2.031 122.662 120.570 0.101 0.000 2.420 271 I HA 0.277 4.447 4.170 -0.000 0.000 0.282 271 I C -0.748 175.467 176.117 0.164 0.000 1.019 271 I CA -0.802 60.557 61.300 0.098 0.000 1.130 271 I CB 1.439 39.480 38.000 0.069 0.000 1.262 271 I HN 0.060 nan 8.210 nan 0.000 0.454 272 I N 4.454 125.123 120.570 0.165 0.000 2.834 272 I HA 0.350 4.520 4.170 -0.000 0.000 0.305 272 I C 0.732 177.002 176.117 0.256 0.000 1.008 272 I CA 0.145 61.599 61.300 0.256 0.000 1.273 272 I CB 1.445 39.521 38.000 0.127 0.000 1.432 272 I HN 0.646 nan 8.210 nan 0.000 0.557 273 S N 1.087 117.010 115.700 0.372 0.000 2.568 273 S HA 0.573 5.043 4.470 -0.000 0.000 0.302 273 S C -0.913 173.883 174.600 0.327 0.000 1.082 273 S CA -0.639 57.720 58.200 0.265 0.000 1.009 273 S CB 1.564 64.864 63.200 0.167 0.000 1.069 273 S HN 0.686 nan 8.310 nan 0.000 0.500 274 D N 1.084 121.602 120.400 0.196 0.000 2.737 274 D HA -0.084 4.555 4.640 -0.000 0.000 0.243 274 D C -0.830 175.645 176.300 0.291 0.000 1.109 274 D CA 1.392 55.497 54.000 0.175 0.000 0.702 274 D CB -1.972 38.863 40.800 0.058 0.000 1.068 274 D HN 0.825 nan 8.370 nan 0.000 0.432 275 D N -1.638 118.896 120.400 0.224 0.000 2.699 275 D HA -0.128 4.512 4.640 -0.000 0.000 0.239 275 D C 0.784 177.217 176.300 0.222 0.000 1.136 275 D CA 1.694 55.809 54.000 0.191 0.000 0.668 275 D CB -1.298 39.608 40.800 0.177 0.000 1.060 275 D HN 0.621 nan 8.370 nan 0.000 0.429 276 G N 0.365 109.276 108.800 0.184 0.000 2.343 276 G HA2 0.526 4.485 3.960 -0.000 0.000 0.319 276 G HA3 0.526 4.485 3.960 -0.000 0.000 0.319 276 G C -0.464 174.314 174.900 -0.203 0.000 1.126 276 G CA -0.470 44.530 45.100 -0.167 0.000 0.889 276 G HN -0.046 nan 8.290 nan 0.000 0.457 277 D N 0.067 120.282 120.400 -0.309 0.000 2.457 277 D HA 0.199 4.839 4.640 -0.000 0.000 0.240 277 D C -1.217 174.953 176.300 -0.216 0.000 1.041 277 D CA -0.375 53.513 54.000 -0.187 0.000 0.861 277 D CB 2.493 43.217 40.800 -0.127 0.000 1.394 277 D HN 0.337 nan 8.370 nan 0.000 0.473 278 Y N 1.629 121.773 120.300 -0.260 0.000 2.700 278 Y HA 0.232 4.782 4.550 -0.000 0.000 0.333 278 Y C -0.095 175.695 175.900 -0.185 0.000 1.036 278 Y CA -0.859 57.081 58.100 -0.266 0.000 1.287 278 Y CB 0.407 38.732 38.460 -0.224 0.000 1.132 278 Y HN 0.212 nan 8.280 nan 0.000 0.510 279 E N 5.537 125.464 120.200 -0.455 0.000 1.924 279 E HA 0.131 4.481 4.350 -0.000 0.000 0.261 279 E C -0.255 175.975 176.600 -0.616 0.000 1.088 279 E CA -0.378 55.753 56.400 -0.449 0.000 0.909 279 E CB 0.059 29.602 29.700 -0.262 0.000 1.112 279 E HN 0.489 nan 8.360 nan 0.000 0.425 280 K N 4.673 124.525 120.400 -0.914 0.000 2.510 280 K HA -0.091 4.229 4.320 -0.000 0.000 0.272 280 K C -1.670 174.727 176.600 -0.338 0.000 1.025 280 K CA -0.305 55.532 56.287 -0.750 0.000 1.134 280 K CB 0.531 32.757 32.500 -0.457 0.000 0.827 280 K HN 0.387 nan 8.250 nan 0.000 0.485 281 P HA 0.134 nan 4.420 nan 0.000 0.266 281 P C -1.250 176.023 177.300 -0.045 0.000 1.381 281 P CA -0.104 62.931 63.100 -0.108 0.000 0.940 281 P CB 0.391 32.086 31.700 -0.008 0.000 1.435 282 N N 0.266 118.866 118.700 -0.167 0.000 2.408 282 N HA 0.207 4.947 4.740 -0.000 0.000 0.280 282 N C -0.677 174.720 175.510 -0.189 0.000 1.002 282 N CA -0.623 52.358 53.050 -0.115 0.000 0.907 282 N CB 1.949 40.375 38.487 -0.101 0.000 1.161 282 N HN -0.250 nan 8.380 nan 0.000 0.488 283 V N 2.908 122.687 119.914 -0.225 0.000 2.408 283 V HA 0.167 4.286 4.120 -0.000 0.000 0.267 283 V C 0.526 176.207 176.094 -0.687 0.000 1.047 283 V CA -0.268 61.724 62.300 -0.515 0.000 0.937 283 V CB 0.016 31.317 31.823 -0.870 0.000 0.999 283 V HN 0.463 nan 8.190 nan 0.000 0.472 284 K N 4.790 124.824 120.400 -0.610 0.000 2.156 284 K HA 0.596 4.915 4.320 -0.000 0.000 0.250 284 K C -1.127 175.188 176.600 -0.475 0.000 0.955 284 K CA -0.621 55.434 56.287 -0.387 0.000 0.855 284 K CB 2.135 34.524 32.500 -0.185 0.000 1.101 284 K HN 0.519 nan 8.250 nan 0.000 0.434 285 W N 0.758 122.067 121.300 0.015 0.000 3.022 285 W HA 0.155 4.815 4.660 -0.000 0.000 0.335 285 W C -0.640 175.914 176.519 0.058 0.000 1.133 285 W CA -0.697 56.671 57.345 0.039 0.000 1.219 285 W CB 1.684 31.161 29.460 0.030 0.000 1.409 285 W HN 0.697 nan 8.180 nan 0.000 0.507 286 H N 2.814 122.022 119.070 0.230 0.000 2.690 286 H HA 0.429 4.985 4.556 -0.000 0.000 0.280 286 H C -1.028 174.378 175.328 0.131 0.000 1.138 286 H CA -0.238 55.890 56.048 0.132 0.000 1.241 286 H CB 0.197 30.010 29.762 0.085 0.000 1.394 286 H HN 0.031 nan 8.280 nan 0.000 0.489 287 L N 8.546 129.720 121.223 -0.082 0.000 2.371 287 L HA 0.298 4.638 4.340 -0.000 0.000 0.262 287 L C -1.739 175.102 176.870 -0.048 0.000 1.054 287 L CA -2.241 52.599 54.840 -0.001 0.000 0.924 287 L CB 1.161 43.252 42.059 0.052 0.000 1.295 287 L HN 0.612 nan 8.230 nan 0.000 0.441 288 P HA -0.103 nan 4.420 nan 0.000 0.211 288 P C 0.377 177.736 177.300 0.099 0.000 1.179 288 P CA 1.291 64.394 63.100 0.004 0.000 0.910 288 P CB 0.400 32.149 31.700 0.082 0.000 0.785 289 E N -1.228 119.047 120.200 0.125 0.000 2.561 289 E HA 0.254 4.604 4.350 -0.000 0.000 0.254 289 E C -0.337 176.381 176.600 0.195 0.000 1.213 289 E CA -0.864 55.624 56.400 0.147 0.000 0.995 289 E CB -0.088 29.664 29.700 0.087 0.000 1.233 289 E HN -0.029 nan 8.360 nan 0.000 0.556 290 F N 0.548 120.437 119.950 -0.102 0.000 2.411 290 F HA 0.283 4.810 4.527 -0.000 0.000 0.350 290 F C 0.149 175.763 175.800 -0.310 0.000 1.114 290 F CA 0.020 57.731 58.000 -0.482 0.000 1.135 290 F CB 1.167 39.886 39.000 -0.468 0.000 1.120 290 F HN 0.076 nan 8.300 nan 0.000 0.495 291 T N 4.639 118.477 114.554 -1.193 0.000 2.924 291 T HA 0.271 4.621 4.350 -0.000 0.000 0.291 291 T C 0.820 174.758 174.700 -1.270 0.000 1.045 291 T CA -0.728 60.825 62.100 -0.912 0.000 1.015 291 T CB 1.158 69.761 68.868 -0.442 0.000 1.103 291 T HN 0.693 nan 8.240 nan 0.000 0.496 292 N N 1.348 119.627 118.700 -0.701 0.000 2.300 292 N HA 0.057 4.797 4.740 -0.000 0.000 0.179 292 N C 0.284 175.611 175.510 -0.304 0.000 1.016 292 N CA 0.769 53.552 53.050 -0.445 0.000 0.876 292 N CB 0.207 38.574 38.487 -0.199 0.000 0.979 292 N HN 0.834 nan 8.380 nan 0.000 0.432 293 E N -1.246 118.774 120.200 -0.300 0.000 2.409 293 E HA 0.369 4.719 4.350 -0.000 0.000 0.280 293 E C -1.246 175.180 176.600 -0.290 0.000 1.079 293 E CA -0.920 55.335 56.400 -0.241 0.000 0.840 293 E CB 1.586 31.192 29.700 -0.157 0.000 1.309 293 E HN -0.159 nan 8.360 nan 0.000 0.447 294 V N -1.124 118.577 119.914 -0.354 0.000 3.046 294 V HA 0.961 5.080 4.120 -0.000 0.000 0.316 294 V C -0.415 175.562 176.094 -0.195 0.000 1.104 294 V CA -0.040 61.994 62.300 -0.443 0.000 1.006 294 V CB 1.365 32.496 31.823 -1.154 0.000 1.058 294 V HN 1.056 nan 8.190 nan 0.000 0.440 295 S N 1.220 116.923 115.700 0.006 0.000 2.607 295 S HA 0.913 5.383 4.470 -0.000 0.000 0.273 295 S C -1.131 173.715 174.600 0.410 0.000 1.148 295 S CA -0.584 57.701 58.200 0.142 0.000 0.833 295 S CB 1.961 65.162 63.200 0.003 0.000 1.130 295 S HN 2.189 nan 8.310 nan 0.000 0.470 296 F N -0.383 119.661 119.950 0.157 0.000 3.051 296 F HA 0.667 5.194 4.527 -0.000 0.000 0.363 296 F C -1.378 174.451 175.800 0.047 0.000 1.257 296 F CA -1.345 56.736 58.000 0.136 0.000 1.126 296 F CB -0.298 38.813 39.000 0.186 0.000 1.476 296 F HN 0.428 nan 8.300 nan 0.000 0.576 297 I N 5.022 125.566 120.570 -0.044 0.000 2.710 297 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 297 I C 0.194 176.231 176.117 -0.133 0.000 1.181 297 I CA 0.308 61.448 61.300 -0.267 0.000 1.430 297 I CB -0.027 37.840 38.000 -0.222 0.000 1.367 297 I HN 0.657 nan 8.210 nan 0.000 0.577 298 F N 4.822 124.594 119.950 -0.296 0.000 2.661 298 F HA 0.808 5.335 4.527 -0.000 0.000 0.347 298 F C -1.039 174.662 175.800 -0.165 0.000 1.086 298 F CA -1.298 56.602 58.000 -0.166 0.000 1.016 298 F CB 1.281 40.185 39.000 -0.161 0.000 1.368 298 F HN 0.332 nan 8.300 nan 0.000 0.505 299 Y N 0.471 120.881 120.300 0.184 0.000 2.521 299 Y HA 0.432 4.982 4.550 -0.000 0.000 0.326 299 Y C -1.461 174.560 175.900 0.200 0.000 1.176 299 Y CA -0.704 57.468 58.100 0.121 0.000 1.079 299 Y CB 1.925 40.429 38.460 0.073 0.000 1.341 299 Y HN 0.814 nan 8.280 nan 0.000 0.456 300 Q N 6.268 126.284 119.800 0.359 0.000 4.091 300 Q HA 0.320 4.660 4.340 -0.000 0.000 0.152 300 Q C -3.090 173.070 176.000 0.266 0.000 0.856 300 Q CA -1.516 54.486 55.803 0.330 0.000 0.802 300 Q CB 0.767 29.679 28.738 0.290 0.000 1.506 300 Q HN 0.272 nan 8.270 nan 0.000 0.468 301 P HA 0.018 nan 4.420 nan 0.000 0.260 301 P C -0.519 176.873 177.300 0.153 0.000 1.185 301 P CA 0.265 63.494 63.100 0.215 0.000 0.763 301 P CB 0.476 32.331 31.700 0.259 0.000 0.776 302 V N 1.330 121.317 119.914 0.122 0.000 2.919 302 V HA 0.742 4.861 4.120 -0.000 0.000 0.316 302 V C -0.031 176.091 176.094 0.047 0.000 1.077 302 V CA -0.537 61.805 62.300 0.071 0.000 0.977 302 V CB 2.124 33.969 31.823 0.037 0.000 1.039 302 V HN 0.314 nan 8.190 nan 0.000 0.441 303 T N 3.853 118.423 114.554 0.026 0.000 2.864 303 T HA 0.628 4.978 4.350 -0.000 0.000 0.299 303 T C -0.497 174.202 174.700 -0.003 0.000 1.011 303 T CA -0.014 62.094 62.100 0.013 0.000 0.975 303 T CB 0.469 69.347 68.868 0.018 0.000 0.962 303 T HN 0.592 nan 8.240 nan 0.000 0.448 304 I N 2.988 123.550 120.570 -0.013 0.000 2.354 304 I HA 0.500 4.669 4.170 -0.000 0.000 0.292 304 I C 1.389 177.494 176.117 -0.020 0.000 0.989 304 I CA -0.306 60.981 61.300 -0.022 0.000 1.188 304 I CB 1.278 39.258 38.000 -0.034 0.000 1.342 304 I HN 0.840 nan 8.210 nan 0.000 0.457 305 G N 6.354 115.145 108.800 -0.016 0.000 3.581 305 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.336 305 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.336 305 G C 0.766 175.661 174.900 -0.009 0.000 1.259 305 G CA 0.909 46.001 45.100 -0.013 0.000 1.001 305 G HN 0.663 nan 8.290 nan 0.000 0.662 306 K N 0.787 121.180 120.400 -0.011 0.000 2.517 306 K HA 0.650 4.970 4.320 -0.000 0.000 0.210 306 K C 0.439 177.032 176.600 -0.012 0.000 1.166 306 K CA 0.445 56.727 56.287 -0.008 0.000 1.030 306 K CB 1.678 34.174 32.500 -0.006 0.000 0.974 306 K HN 0.724 nan 8.250 nan 0.000 0.585 307 A N 1.865 124.674 122.820 -0.019 0.000 2.306 307 A HA 0.459 4.779 4.320 -0.000 0.000 0.314 307 A C -0.748 176.827 177.584 -0.014 0.000 1.164 307 A CA -0.501 51.520 52.037 -0.026 0.000 0.822 307 A CB 0.456 19.427 19.000 -0.048 0.000 1.130 307 A HN 0.115 nan 8.150 nan 0.000 0.496 308 K N 1.711 122.105 120.400 -0.010 0.000 2.527 308 K HA 0.575 4.895 4.320 -0.000 0.000 0.240 308 K C -0.449 176.159 176.600 0.014 0.000 0.989 308 K CA -0.094 56.199 56.287 0.010 0.000 0.985 308 K CB 1.736 34.246 32.500 0.017 0.000 1.221 308 K HN 0.763 nan 8.250 nan 0.000 0.458 309 A N 2.818 125.655 122.820 0.028 0.000 2.389 309 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 309 A C -0.856 176.791 177.584 0.104 0.000 1.186 309 A CA -0.994 51.072 52.037 0.048 0.000 0.828 309 A CB 1.077 20.097 19.000 0.033 0.000 1.369 309 A HN 0.671 nan 8.150 nan 0.000 0.446 310 R N -0.001 120.590 120.500 0.152 0.000 2.422 310 R HA 0.304 4.644 4.340 -0.000 0.000 0.307 310 R C -1.530 174.864 176.300 0.157 0.000 1.004 310 R CA -0.284 55.903 56.100 0.145 0.000 0.882 310 R CB 1.402 31.768 30.300 0.110 0.000 1.164 310 R HN 0.559 nan 8.270 nan 0.000 0.489 311 F N 5.426 125.372 119.950 -0.008 0.000 2.533 311 F HA 0.077 4.604 4.527 -0.000 0.000 0.378 311 F C 0.027 175.802 175.800 -0.042 0.000 1.070 311 F CA 0.230 58.243 58.000 0.022 0.000 1.172 311 F CB -0.024 39.017 39.000 0.068 0.000 1.085 311 F HN 0.448 nan 8.300 nan 0.000 0.552 312 H N 4.529 123.095 119.070 -0.839 0.000 2.821 312 H HA 0.761 5.317 4.556 -0.000 0.000 0.373 312 H C -0.711 173.707 175.328 -1.517 0.000 1.165 312 H CA -0.156 55.141 56.048 -1.252 0.000 1.154 312 H CB 1.737 30.446 29.762 -1.755 0.000 1.765 312 H HN 0.807 nan 8.280 nan 0.000 0.549 313 G N 1.979 109.083 108.800 -2.826 0.000 2.342 313 G HA2 0.329 4.289 3.960 -0.000 0.000 0.297 313 G HA3 0.329 4.289 3.960 -0.000 0.000 0.297 313 G C -1.772 172.067 174.900 -1.768 0.000 1.313 313 G CA -1.010 42.868 45.100 -2.037 0.000 0.830 313 G HN 0.682 nan 8.290 nan 0.000 0.506 314 R N 0.435 120.443 120.500 -0.820 0.000 2.521 314 R HA 0.550 4.890 4.340 -0.000 0.000 0.295 314 R C -0.865 175.242 176.300 -0.322 0.000 1.183 314 R CA -0.432 55.359 56.100 -0.515 0.000 0.957 314 R CB 1.376 31.466 30.300 -0.349 0.000 1.171 314 R HN 0.449 nan 8.270 nan 0.000 0.494 315 V N 3.416 123.069 119.914 -0.435 0.000 2.637 315 V HA 0.290 4.410 4.120 -0.000 0.000 0.296 315 V C 0.262 176.175 176.094 -0.302 0.000 1.046 315 V CA 0.153 62.201 62.300 -0.420 0.000 1.066 315 V CB 1.432 32.784 31.823 -0.784 0.000 0.968 315 V HN 0.756 nan 8.190 nan 0.000 0.483 316 T N 4.097 118.582 114.554 -0.116 0.000 2.900 316 T HA 0.543 4.893 4.350 -0.000 0.000 0.295 316 T C -0.876 173.822 174.700 -0.002 0.000 1.044 316 T CA -0.549 61.520 62.100 -0.052 0.000 0.995 316 T CB 1.831 70.658 68.868 -0.068 0.000 1.072 316 T HN 0.652 nan 8.240 nan 0.000 0.473 317 Q N 2.586 122.377 119.800 -0.014 0.000 2.309 317 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 317 Q C -2.911 173.053 176.000 -0.060 0.000 1.023 317 Q CA -2.149 53.649 55.803 -0.009 0.000 0.758 317 Q CB 1.566 30.319 28.738 0.025 0.000 1.247 317 Q HN 0.205 nan 8.270 nan 0.000 0.455 318 P HA 0.205 nan 4.420 nan 0.000 0.269 318 P C -0.904 176.390 177.300 -0.011 0.000 1.215 318 P CA -0.002 63.081 63.100 -0.029 0.000 0.780 318 P CB 0.648 32.346 31.700 -0.003 0.000 0.898 319 L N 2.002 123.224 121.223 -0.002 0.000 2.409 319 L HA 0.633 4.972 4.340 -0.000 0.000 0.262 319 L C 0.174 177.200 176.870 0.260 0.000 0.992 319 L CA -0.708 54.178 54.840 0.077 0.000 0.817 319 L CB 2.306 44.329 42.059 -0.059 0.000 1.350 319 L HN 0.499 nan 8.230 nan 0.000 0.411 320 K N 0.000 120.631 120.400 0.384 0.000 2.780 320 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 320 K CA 0.000 56.477 56.287 0.316 0.000 0.838 320 K CB 0.000 32.577 32.500 0.129 0.000 1.064 320 K HN 0.000 nan 8.250 nan 0.000 0.543