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 2uzx_1_C DATA FIRST_RESID 34 DATA SEQUENCE AMETITVPTP IKQIFSDDAF AETIKDNLKK KSVTDAVTQN ELNSIDQIIA DATA SEQUENCE NNSDIKSVQG IQYLPNVTKL FLNGNKLTDI KPLANLKNLG WLFLDENKVK DATA SEQUENCE DLSSLKDLKK LKSLSLEHNG ISDINGLVHL PQLESLYLGN NKITDITVLS DATA SEQUENCE RLTKLDTLSL EDNQISDIVP LAGLTKLQNL YLSKNHISDL RALAGLKNLD DATA SEQUENCE VLELFSQECL NKPINHQSNL VVPNTVKNTD GSLVTPEIIS DDGDYEKPNV DATA SEQUENCE KWHLPEFTNE VSFIFYQPVT IGKAKARFHG RVTQPLK 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 34 A HA 0.000 nan 4.320 nan 0.000 0.244 34 A C 0.000 177.604 177.584 0.033 0.000 1.274 34 A CA 0.000 52.057 52.037 0.033 0.000 0.836 34 A CB 0.000 19.030 19.000 0.049 0.000 0.831 35 M N 1.171 120.785 119.600 0.023 0.000 2.123 35 M HA 0.115 4.596 4.480 0.002 0.000 0.263 35 M C 0.797 177.119 176.300 0.037 0.000 1.069 35 M CA 1.831 57.144 55.300 0.021 0.000 1.133 35 M CB -0.104 32.499 32.600 0.006 0.000 1.356 35 M HN 0.636 nan 8.290 nan 0.000 0.415 36 E N 0.993 121.213 120.200 0.034 0.000 2.338 36 E HA 0.306 4.657 4.350 0.002 0.000 0.272 36 E C -0.598 176.135 176.600 0.222 0.000 1.029 36 E CA 0.204 56.644 56.400 0.067 0.000 0.872 36 E CB 0.834 30.471 29.700 -0.106 0.000 1.015 36 E HN 0.268 nan 8.360 nan 0.000 0.417 37 T N 1.432 116.219 114.554 0.388 0.000 3.094 37 T HA 0.302 4.653 4.350 0.002 0.000 0.373 37 T C -1.084 173.617 174.700 0.003 0.000 1.806 37 T CA -0.780 61.480 62.100 0.266 0.000 1.107 37 T CB 0.322 69.257 68.868 0.110 0.000 1.632 37 T HN 0.453 nan 8.240 nan 0.000 0.488 38 I N 2.463 122.863 120.570 -0.284 0.000 2.472 38 I HA 0.604 4.776 4.170 0.002 0.000 0.290 38 I C 1.274 177.301 176.117 -0.150 0.000 1.016 38 I CA -0.339 60.763 61.300 -0.330 0.000 1.348 38 I CB 1.687 39.403 38.000 -0.474 0.000 1.417 38 I HN 0.777 nan 8.210 nan 0.000 0.521 39 T N 2.205 116.691 114.554 -0.113 0.000 3.039 39 T HA 0.218 4.569 4.350 0.002 0.000 0.250 39 T C 0.636 175.299 174.700 -0.062 0.000 1.052 39 T CA 0.506 62.567 62.100 -0.066 0.000 1.125 39 T CB -0.116 68.726 68.868 -0.043 0.000 0.908 39 T HN 0.702 nan 8.240 nan 0.000 0.473 40 V N -1.874 117.994 119.914 -0.076 0.000 2.925 40 V HA 0.694 4.815 4.120 0.002 0.000 0.311 40 V C -3.261 172.789 176.094 -0.073 0.000 1.104 40 V CA -3.264 58.999 62.300 -0.061 0.000 0.954 40 V CB 1.440 33.234 31.823 -0.048 0.000 1.022 40 V HN -0.162 nan 8.190 nan 0.000 0.427 41 P HA 0.211 nan 4.420 nan 0.000 0.261 41 P C -0.298 176.967 177.300 -0.060 0.000 1.165 41 P CA 0.925 63.993 63.100 -0.053 0.000 0.759 41 P CB 0.108 31.787 31.700 -0.036 0.000 0.772 42 T N 4.424 118.938 114.554 -0.068 0.000 2.933 42 T HA 0.433 4.784 4.350 0.002 0.000 0.305 42 T C -2.800 171.872 174.700 -0.045 0.000 1.092 42 T CA -1.652 60.406 62.100 -0.070 0.000 1.008 42 T CB 1.702 70.500 68.868 -0.116 0.000 1.102 42 T HN 0.060 nan 8.240 nan 0.000 0.469 43 P HA 0.288 nan 4.420 nan 0.000 0.268 43 P C 0.744 178.053 177.300 0.015 0.000 1.204 43 P CA -0.216 62.883 63.100 -0.003 0.000 0.768 43 P CB 0.403 32.103 31.700 -0.000 0.000 0.842 44 I N 2.693 123.298 120.570 0.058 0.000 2.208 44 I HA -0.292 3.879 4.170 0.002 0.000 0.245 44 I C 2.262 178.483 176.117 0.172 0.000 1.097 44 I CA 1.578 62.972 61.300 0.156 0.000 1.363 44 I CB -0.498 37.591 38.000 0.148 0.000 1.051 44 I HN 0.467 nan 8.210 nan 0.000 0.413 45 K N 0.858 121.318 120.400 0.100 0.000 2.362 45 K HA -0.241 4.080 4.320 0.002 0.000 0.202 45 K C 1.840 178.480 176.600 0.067 0.000 1.045 45 K CA 1.566 57.905 56.287 0.087 0.000 0.936 45 K CB 0.033 32.564 32.500 0.052 0.000 0.747 45 K HN 0.486 nan 8.250 nan 0.000 0.467 46 Q N -0.608 119.211 119.800 0.031 0.000 2.350 46 Q HA 0.091 4.432 4.340 0.002 0.000 0.225 46 Q C 1.614 177.585 176.000 -0.047 0.000 0.878 46 Q CA -0.193 55.609 55.803 -0.001 0.000 0.935 46 Q CB 0.508 29.237 28.738 -0.015 0.000 1.099 46 Q HN 0.231 nan 8.270 nan 0.000 0.527 47 I N -0.101 120.398 120.570 -0.117 0.000 2.270 47 I HA -0.057 4.114 4.170 0.002 0.000 0.239 47 I C 0.562 176.489 176.117 -0.316 0.000 1.080 47 I CA 1.150 62.258 61.300 -0.321 0.000 1.383 47 I CB -0.660 36.927 38.000 -0.688 0.000 1.097 47 I HN -0.005 nan 8.210 nan 0.000 0.420 48 F N 2.185 122.178 119.950 0.071 0.000 2.350 48 F HA 0.198 4.727 4.527 0.003 0.000 0.365 48 F C 1.817 177.675 175.800 0.097 0.000 1.122 48 F CA -0.483 57.577 58.000 0.100 0.000 1.139 48 F CB 0.549 39.556 39.000 0.011 0.000 1.220 48 F HN -0.014 nan 8.300 nan 0.000 0.499 49 S N 0.272 116.112 115.700 0.234 0.000 2.368 49 S HA -0.211 4.260 4.470 0.002 0.000 0.225 49 S C 0.606 175.309 174.600 0.172 0.000 1.030 49 S CA 0.687 58.983 58.200 0.161 0.000 0.999 49 S CB -0.530 62.739 63.200 0.114 0.000 0.844 49 S HN 0.632 nan 8.310 nan 0.000 0.459 50 D N 2.351 122.885 120.400 0.223 0.000 2.426 50 D HA 0.070 4.711 4.640 0.002 0.000 0.261 50 D C 0.896 177.300 176.300 0.175 0.000 1.245 50 D CA 0.126 54.240 54.000 0.190 0.000 0.917 50 D CB 0.259 41.186 40.800 0.212 0.000 1.123 50 D HN 0.063 nan 8.370 nan 0.000 0.508 51 D N 3.514 123.984 120.400 0.116 0.000 2.191 51 D HA -0.303 4.338 4.640 0.002 0.000 0.190 51 D C 1.610 177.963 176.300 0.087 0.000 1.007 51 D CA 1.828 55.881 54.000 0.088 0.000 0.865 51 D CB -0.035 40.803 40.800 0.063 0.000 0.929 51 D HN 0.550 nan 8.370 nan 0.000 0.447 52 A N -0.247 122.634 122.820 0.101 0.000 1.854 52 A HA -0.127 4.194 4.320 0.002 0.000 0.214 52 A C 2.204 179.875 177.584 0.144 0.000 1.192 52 A CA 1.051 53.147 52.037 0.099 0.000 0.611 52 A CB -1.065 17.987 19.000 0.088 0.000 0.832 52 A HN 0.307 nan 8.150 nan 0.000 0.442 53 F N 1.315 121.259 119.950 -0.010 0.000 2.161 53 F HA -0.158 4.369 4.527 0.000 0.000 0.300 53 F C 2.537 178.253 175.800 -0.140 0.000 1.089 53 F CA 0.714 58.679 58.000 -0.057 0.000 1.282 53 F CB -0.777 38.214 39.000 -0.016 0.000 1.010 53 F HN 0.262 nan 8.300 nan 0.000 0.485 54 A N -0.201 122.575 122.820 -0.074 0.000 1.865 54 A HA -0.258 4.063 4.320 0.002 0.000 0.217 54 A C 2.116 179.595 177.584 -0.175 0.000 1.191 54 A CA 1.819 53.752 52.037 -0.174 0.000 0.623 54 A CB -1.066 17.964 19.000 0.050 0.000 0.826 54 A HN 0.388 nan 8.150 nan 0.000 0.444 55 E N -0.626 119.535 120.200 -0.064 0.000 2.331 55 E HA -0.108 4.243 4.350 0.002 0.000 0.199 55 E C 1.839 178.390 176.600 -0.081 0.000 1.008 55 E CA 1.594 57.964 56.400 -0.050 0.000 0.843 55 E CB -0.299 29.396 29.700 -0.008 0.000 0.761 55 E HN 0.595 nan 8.360 nan 0.000 0.507 56 T N 0.441 114.925 114.554 -0.117 0.000 2.809 56 T HA -0.051 4.300 4.350 0.002 0.000 0.260 56 T C 1.600 176.170 174.700 -0.216 0.000 1.039 56 T CA 0.895 62.928 62.100 -0.112 0.000 1.141 56 T CB -0.028 68.832 68.868 -0.014 0.000 0.869 56 T HN 0.113 nan 8.240 nan 0.000 0.437 57 I N 1.907 122.221 120.570 -0.426 0.000 2.127 57 I HA -0.142 4.029 4.170 0.002 0.000 0.241 57 I C 2.529 178.519 176.117 -0.211 0.000 1.075 57 I CA 1.341 62.382 61.300 -0.431 0.000 1.334 57 I CB -1.277 36.288 38.000 -0.726 0.000 1.040 57 I HN 0.201 nan 8.210 nan 0.000 0.405 58 K N 1.245 121.548 120.400 -0.162 0.000 2.052 58 K HA -0.269 4.052 4.320 0.002 0.000 0.215 58 K C 1.624 178.184 176.600 -0.066 0.000 1.053 58 K CA 2.267 58.504 56.287 -0.083 0.000 0.934 58 K CB -0.416 32.050 32.500 -0.057 0.000 0.717 58 K HN 0.322 nan 8.250 nan 0.000 0.450 59 D N 0.323 120.682 120.400 -0.069 0.000 2.144 59 D HA -0.137 4.504 4.640 0.002 0.000 0.200 59 D C 1.812 178.083 176.300 -0.049 0.000 0.978 59 D CA 0.611 54.582 54.000 -0.049 0.000 0.833 59 D CB -0.374 40.401 40.800 -0.041 0.000 0.961 59 D HN 0.353 nan 8.370 nan 0.000 0.470 60 N N 0.794 119.453 118.700 -0.068 0.000 2.142 60 N HA -0.102 4.639 4.740 0.002 0.000 0.186 60 N C 1.494 176.979 175.510 -0.041 0.000 1.023 60 N CA 0.620 53.636 53.050 -0.055 0.000 0.852 60 N CB -0.048 38.393 38.487 -0.077 0.000 0.998 60 N HN 0.199 nan 8.380 nan 0.000 0.424 61 L N 0.824 122.019 121.223 -0.047 0.000 2.629 61 L HA 0.172 4.513 4.340 0.002 0.000 0.230 61 L C 0.314 177.171 176.870 -0.023 0.000 1.151 61 L CA 0.088 54.912 54.840 -0.028 0.000 0.924 61 L CB -0.017 42.028 42.059 -0.023 0.000 1.137 61 L HN 0.098 nan 8.230 nan 0.000 0.457 62 K N -1.610 118.774 120.400 -0.026 0.000 3.274 62 K HA -0.168 4.154 4.320 0.002 0.000 0.300 62 K C 0.152 176.741 176.600 -0.019 0.000 1.230 62 K CA 0.626 56.900 56.287 -0.021 0.000 0.884 62 K CB -1.185 31.305 32.500 -0.016 0.000 1.242 62 K HN 0.155 nan 8.250 nan 0.000 0.467 63 K N 1.274 121.662 120.400 -0.021 0.000 2.143 63 K HA 0.063 4.384 4.320 0.002 0.000 0.239 63 K C 1.312 177.903 176.600 -0.015 0.000 1.048 63 K CA 0.170 56.447 56.287 -0.016 0.000 0.867 63 K CB 0.405 32.897 32.500 -0.015 0.000 1.088 63 K HN 0.174 nan 8.250 nan 0.000 0.510 64 K N -0.379 120.014 120.400 -0.011 0.000 2.287 64 K HA 0.038 4.359 4.320 0.002 0.000 0.199 64 K C 0.351 176.946 176.600 -0.008 0.000 1.061 64 K CA 0.237 56.519 56.287 -0.010 0.000 0.976 64 K CB 0.538 33.034 32.500 -0.007 0.000 0.898 64 K HN 0.377 nan 8.250 nan 0.000 0.492 65 S N -0.487 115.209 115.700 -0.006 0.000 2.595 65 S HA 0.232 4.703 4.470 0.002 0.000 0.281 65 S C 0.649 175.249 174.600 -0.000 0.000 1.117 65 S CA -0.574 57.624 58.200 -0.003 0.000 0.873 65 S CB 1.841 65.041 63.200 -0.000 0.000 1.108 65 S HN 0.095 nan 8.310 nan 0.000 0.477 66 V N 1.583 121.499 119.914 0.004 0.000 2.970 66 V HA 0.038 4.159 4.120 0.002 0.000 0.260 66 V C 2.014 178.121 176.094 0.021 0.000 1.100 66 V CA 1.992 64.300 62.300 0.014 0.000 1.122 66 V CB -1.864 29.970 31.823 0.019 0.000 0.721 66 V HN 0.968 nan 8.190 nan 0.000 0.483 67 T N -2.482 112.080 114.554 0.014 0.000 2.951 67 T HA -0.041 4.310 4.350 0.002 0.000 0.268 67 T C 0.636 175.341 174.700 0.008 0.000 1.073 67 T CA 0.523 62.630 62.100 0.012 0.000 1.134 67 T CB -0.649 68.223 68.868 0.008 0.000 0.884 67 T HN 0.481 nan 8.240 nan 0.000 0.479 68 D N 2.381 122.785 120.400 0.006 0.000 2.443 68 D HA 0.465 5.106 4.640 0.002 0.000 0.234 68 D C 0.197 176.499 176.300 0.004 0.000 1.172 68 D CA 0.347 54.348 54.000 0.003 0.000 0.878 68 D CB 0.518 41.319 40.800 0.000 0.000 1.204 68 D HN 0.573 nan 8.370 nan 0.000 0.453 69 A N 1.072 123.891 122.820 -0.002 0.000 2.316 69 A HA 0.566 4.887 4.320 0.002 0.000 0.284 69 A C -0.242 177.340 177.584 -0.003 0.000 1.115 69 A CA -0.551 51.482 52.037 -0.006 0.000 0.812 69 A CB 0.632 19.623 19.000 -0.014 0.000 1.064 69 A HN 0.435 nan 8.150 nan 0.000 0.489 70 V N -0.185 119.726 119.914 -0.005 0.000 2.789 70 V HA 0.843 4.964 4.120 0.002 0.000 0.311 70 V C -0.025 176.055 176.094 -0.024 0.000 1.073 70 V CA -0.071 62.228 62.300 -0.002 0.000 0.921 70 V CB 1.107 32.947 31.823 0.028 0.000 1.009 70 V HN 1.211 nan 8.190 nan 0.000 0.426 71 T N 0.162 114.704 114.554 -0.021 0.000 2.928 71 T HA 0.381 4.732 4.350 0.002 0.000 0.284 71 T C 0.809 175.491 174.700 -0.029 0.000 1.008 71 T CA 0.112 62.191 62.100 -0.034 0.000 1.057 71 T CB 1.711 70.564 68.868 -0.026 0.000 1.018 71 T HN 0.845 nan 8.240 nan 0.000 0.493 72 Q N 1.384 121.155 119.800 -0.048 0.000 2.217 72 Q HA -0.248 4.093 4.340 0.002 0.000 0.209 72 Q C 1.961 177.963 176.000 0.003 0.000 0.988 72 Q CA 2.350 58.134 55.803 -0.031 0.000 0.878 72 Q CB -0.721 27.993 28.738 -0.039 0.000 0.909 72 Q HN 0.847 nan 8.270 nan 0.000 0.424 73 N N 0.106 118.805 118.700 -0.002 0.000 2.043 73 N HA -0.200 4.541 4.740 0.002 0.000 0.193 73 N C 1.339 176.857 175.510 0.014 0.000 1.037 73 N CA 2.087 55.141 53.050 0.007 0.000 0.851 73 N CB -0.199 38.288 38.487 0.001 0.000 1.027 73 N HN 0.441 nan 8.380 nan 0.000 0.422 74 E N -0.077 120.131 120.200 0.013 0.000 2.085 74 E HA -0.128 4.223 4.350 0.002 0.000 0.194 74 E C 2.009 178.630 176.600 0.035 0.000 0.994 74 E CA 0.882 57.293 56.400 0.018 0.000 0.801 74 E CB -0.202 29.506 29.700 0.014 0.000 0.743 74 E HN 0.395 nan 8.360 nan 0.000 0.453 75 L N 1.128 122.381 121.223 0.050 0.000 2.261 75 L HA -0.172 4.170 4.340 0.002 0.000 0.216 75 L C 1.327 178.247 176.870 0.083 0.000 1.114 75 L CA 0.671 55.564 54.840 0.089 0.000 0.777 75 L CB -0.302 41.824 42.059 0.111 0.000 0.910 75 L HN 0.163 nan 8.230 nan 0.000 0.440 76 N N -1.188 117.547 118.700 0.057 0.000 2.353 76 N HA -0.055 4.686 4.740 0.002 0.000 0.185 76 N C 1.708 177.241 175.510 0.038 0.000 1.098 76 N CA 0.822 53.903 53.050 0.051 0.000 0.872 76 N CB 0.174 38.685 38.487 0.040 0.000 0.970 76 N HN 0.231 nan 8.380 nan 0.000 0.467 77 S N -0.357 115.363 115.700 0.033 0.000 2.593 77 S HA 0.215 4.686 4.470 0.002 0.000 0.217 77 S C 0.600 175.215 174.600 0.025 0.000 0.966 77 S CA -0.325 57.889 58.200 0.023 0.000 0.914 77 S CB -0.342 62.867 63.200 0.016 0.000 0.776 77 S HN 0.104 nan 8.310 nan 0.000 0.523 78 I N 2.213 122.805 120.570 0.037 0.000 2.352 78 I HA 0.287 4.458 4.170 0.002 0.000 0.290 78 I C 0.924 177.067 176.117 0.044 0.000 1.036 78 I CA -0.241 61.082 61.300 0.039 0.000 1.336 78 I CB 1.296 39.325 38.000 0.048 0.000 1.407 78 I HN 0.134 nan 8.210 nan 0.000 0.497 79 D N 4.048 124.472 120.400 0.039 0.000 2.431 79 D HA 0.012 4.653 4.640 0.002 0.000 0.227 79 D C 0.354 176.691 176.300 0.061 0.000 1.030 79 D CA 0.353 54.373 54.000 0.034 0.000 0.897 79 D CB 0.705 41.514 40.800 0.016 0.000 1.058 79 D HN 0.616 nan 8.370 nan 0.000 0.500 80 Q N 0.409 120.260 119.800 0.085 0.000 2.353 80 Q HA 0.370 4.711 4.340 0.002 0.000 0.275 80 Q C -1.862 174.226 176.000 0.147 0.000 1.029 80 Q CA -0.768 55.124 55.803 0.148 0.000 0.848 80 Q CB 1.525 30.371 28.738 0.180 0.000 1.390 80 Q HN 0.093 nan 8.270 nan 0.000 0.401 81 I N 4.281 124.977 120.570 0.211 0.000 2.436 81 I HA 0.470 4.641 4.170 0.002 0.000 0.289 81 I C -0.613 175.664 176.117 0.268 0.000 1.010 81 I CA -0.971 60.447 61.300 0.197 0.000 1.098 81 I CB 1.912 40.046 38.000 0.224 0.000 1.266 81 I HN 0.625 nan 8.210 nan 0.000 0.434 82 I N 5.935 126.600 120.570 0.158 0.000 2.420 82 I HA 0.466 4.637 4.170 0.002 0.000 0.282 82 I C -0.122 176.042 176.117 0.079 0.000 1.019 82 I CA -0.203 61.157 61.300 0.101 0.000 1.130 82 I CB 1.657 39.614 38.000 -0.071 0.000 1.262 82 I HN 0.690 nan 8.210 nan 0.000 0.454 83 A N 5.880 128.769 122.820 0.115 0.000 3.409 83 A HA 0.394 4.715 4.320 0.002 0.000 0.282 83 A C -0.714 176.912 177.584 0.069 0.000 1.064 83 A CA -0.698 51.393 52.037 0.090 0.000 0.889 83 A CB 0.028 19.112 19.000 0.140 0.000 1.251 83 A HN 0.617 nan 8.150 nan 0.000 0.538 84 N N 1.013 119.738 118.700 0.041 0.000 2.529 84 N HA 0.167 4.908 4.740 0.002 0.000 0.278 84 N C -0.355 175.161 175.510 0.010 0.000 1.146 84 N CA -0.132 52.933 53.050 0.026 0.000 0.980 84 N CB 0.539 39.027 38.487 0.002 0.000 1.124 84 N HN 0.491 nan 8.380 nan 0.000 0.458 85 N N -0.219 118.484 118.700 0.006 0.000 2.705 85 N HA -0.163 4.578 4.740 0.002 0.000 0.255 85 N C -0.609 174.904 175.510 0.005 0.000 1.008 85 N CA 0.670 53.719 53.050 -0.001 0.000 0.742 85 N CB -1.027 37.453 38.487 -0.012 0.000 0.906 85 N HN 0.424 nan 8.380 nan 0.000 0.541 86 S N -0.690 115.018 115.700 0.015 0.000 2.650 86 S HA 0.126 4.598 4.470 0.002 0.000 0.240 86 S C 0.228 174.844 174.600 0.026 0.000 1.007 86 S CA -0.163 58.052 58.200 0.024 0.000 0.984 86 S CB 0.507 63.733 63.200 0.044 0.000 0.910 86 S HN 0.521 nan 8.310 nan 0.000 0.509 87 D N 1.179 121.589 120.400 0.016 0.000 2.800 87 D HA -0.150 4.491 4.640 0.002 0.000 0.232 87 D C -0.593 175.718 176.300 0.019 0.000 1.137 87 D CA 0.309 54.318 54.000 0.015 0.000 0.718 87 D CB -1.689 39.121 40.800 0.018 0.000 1.084 87 D HN 0.449 nan 8.370 nan 0.000 0.432 88 I N 0.498 121.073 120.570 0.007 0.000 2.416 88 I HA 0.082 4.253 4.170 0.002 0.000 0.288 88 I C 1.717 177.820 176.117 -0.023 0.000 1.051 88 I CA 0.111 61.405 61.300 -0.010 0.000 1.375 88 I CB 0.986 38.943 38.000 -0.072 0.000 1.407 88 I HN -0.010 nan 8.210 nan 0.000 0.516 89 K N 3.162 123.557 120.400 -0.008 0.000 2.391 89 K HA 0.225 4.546 4.320 0.002 0.000 0.197 89 K C 0.256 176.846 176.600 -0.015 0.000 1.087 89 K CA 0.141 56.424 56.287 -0.007 0.000 1.012 89 K CB 0.878 33.385 32.500 0.012 0.000 0.925 89 K HN 0.522 nan 8.250 nan 0.000 0.547 90 S N 0.672 116.360 115.700 -0.020 0.000 2.543 90 S HA 0.195 4.666 4.470 0.002 0.000 0.273 90 S C -0.437 174.122 174.600 -0.068 0.000 1.152 90 S CA -0.805 57.380 58.200 -0.024 0.000 0.910 90 S CB 1.730 64.950 63.200 0.033 0.000 1.105 90 S HN 0.006 nan 8.310 nan 0.000 0.465 91 V N 2.260 122.089 119.914 -0.141 0.000 3.095 91 V HA 0.435 4.556 4.120 0.002 0.000 0.388 91 V C 0.346 176.542 176.094 0.170 0.000 1.286 91 V CA -0.459 61.692 62.300 -0.248 0.000 1.406 91 V CB -0.785 30.819 31.823 -0.366 0.000 1.363 91 V HN 0.736 nan 8.190 nan 0.000 0.532 92 Q N 2.081 122.029 119.800 0.245 0.000 2.286 92 Q HA 0.525 4.866 4.340 0.002 0.000 0.267 92 Q C 1.098 177.307 176.000 0.349 0.000 1.028 92 Q CA 1.335 57.272 55.803 0.224 0.000 0.901 92 Q CB 0.572 29.401 28.738 0.152 0.000 1.183 92 Q HN 0.927 nan 8.270 nan 0.000 0.392 93 G N 3.792 112.709 108.800 0.194 0.000 2.192 93 G HA2 -0.259 3.702 3.960 0.002 0.000 0.193 93 G HA3 -0.259 3.702 3.960 0.002 0.000 0.193 93 G C 0.460 175.539 174.900 0.298 0.000 0.999 93 G CA 0.088 45.195 45.100 0.012 0.000 0.659 93 G HN 0.633 nan 8.290 nan 0.000 0.503 94 I N 1.195 122.023 120.570 0.431 0.000 2.830 94 I HA 0.097 4.269 4.170 0.002 0.000 0.263 94 I C 2.323 178.543 176.117 0.172 0.000 1.230 94 I CA 1.930 63.492 61.300 0.437 0.000 1.480 94 I CB 0.045 38.260 38.000 0.359 0.000 1.095 94 I HN 0.293 nan 8.210 nan 0.000 0.455 95 Q N -0.802 118.968 119.800 -0.052 0.000 2.364 95 Q HA -0.112 4.229 4.340 0.002 0.000 0.207 95 Q C 1.144 177.025 176.000 -0.198 0.000 0.970 95 Q CA 1.288 56.974 55.803 -0.194 0.000 0.888 95 Q CB -0.512 28.004 28.738 -0.371 0.000 0.951 95 Q HN 0.572 nan 8.270 nan 0.000 0.469 96 Y N -0.651 119.681 120.300 0.054 0.000 2.490 96 Y HA 0.200 4.750 4.550 -0.001 0.000 0.281 96 Y C -0.093 175.849 175.900 0.070 0.000 1.174 96 Y CA -0.304 57.815 58.100 0.031 0.000 1.295 96 Y CB 0.319 38.763 38.460 -0.027 0.000 1.062 96 Y HN -0.005 nan 8.280 nan 0.000 0.522 97 L N 2.058 123.405 121.223 0.206 0.000 2.360 97 L HA 0.325 4.666 4.340 0.002 0.000 0.265 97 L C -1.956 174.978 176.870 0.107 0.000 1.066 97 L CA -1.240 53.699 54.840 0.166 0.000 0.929 97 L CB 1.131 43.304 42.059 0.191 0.000 1.306 97 L HN -0.121 nan 8.230 nan 0.000 0.434 98 P HA 0.127 nan 4.420 nan 0.000 0.239 98 P C 0.617 177.942 177.300 0.042 0.000 1.188 98 P CA 0.519 63.652 63.100 0.055 0.000 0.794 98 P CB 0.454 32.184 31.700 0.050 0.000 0.937 99 N N -0.956 117.771 118.700 0.046 0.000 2.353 99 N HA 0.014 4.756 4.740 0.002 0.000 0.185 99 N C 0.209 175.736 175.510 0.028 0.000 1.098 99 N CA -0.017 53.050 53.050 0.029 0.000 0.872 99 N CB -0.389 38.114 38.487 0.027 0.000 0.970 99 N HN -0.023 nan 8.380 nan 0.000 0.467 100 V N 1.584 121.526 119.914 0.047 0.000 2.617 100 V HA -0.005 4.116 4.120 0.002 0.000 0.304 100 V C 1.221 177.332 176.094 0.027 0.000 1.040 100 V CA 1.236 63.567 62.300 0.053 0.000 1.149 100 V CB 0.803 32.677 31.823 0.086 0.000 0.914 100 V HN 0.531 nan 8.190 nan 0.000 0.487 101 T N 2.642 117.202 114.554 0.010 0.000 2.966 101 T HA 0.367 4.718 4.350 0.002 0.000 0.254 101 T C 0.305 174.985 174.700 -0.034 0.000 0.961 101 T CA -0.323 61.752 62.100 -0.041 0.000 0.915 101 T CB 0.247 69.051 68.868 -0.107 0.000 1.186 101 T HN 0.470 nan 8.240 nan 0.000 0.505 102 K N 1.495 121.922 120.400 0.045 0.000 2.394 102 K HA 0.655 4.976 4.320 0.002 0.000 0.260 102 K C -1.401 175.300 176.600 0.169 0.000 0.967 102 K CA -0.336 56.036 56.287 0.142 0.000 0.855 102 K CB 1.700 34.385 32.500 0.309 0.000 1.101 102 K HN 0.257 nan 8.250 nan 0.000 0.433 103 L N 4.738 125.994 121.223 0.054 0.000 2.319 103 L HA 0.513 4.854 4.340 0.002 0.000 0.281 103 L C -1.098 175.741 176.870 -0.051 0.000 1.005 103 L CA -0.749 54.140 54.840 0.082 0.000 0.828 103 L CB 0.694 42.802 42.059 0.082 0.000 1.227 103 L HN 0.512 nan 8.230 nan 0.000 0.415 104 F N 5.204 125.253 119.950 0.165 0.000 2.325 104 F HA 0.401 4.930 4.527 0.003 0.000 0.369 104 F C 0.457 176.293 175.800 0.060 0.000 1.095 104 F CA -0.370 57.679 58.000 0.082 0.000 1.082 104 F CB 0.925 39.888 39.000 -0.061 0.000 1.289 104 F HN 0.291 nan 8.300 nan 0.000 0.462 105 L N 3.143 124.479 121.223 0.188 0.000 3.347 105 L HA 0.251 4.592 4.340 0.002 0.000 0.306 105 L C -0.212 176.701 176.870 0.071 0.000 1.301 105 L CA -0.313 54.586 54.840 0.098 0.000 0.985 105 L CB -0.141 41.939 42.059 0.035 0.000 1.400 105 L HN 0.446 nan 8.230 nan 0.000 0.601 106 N N 1.363 120.116 118.700 0.088 0.000 2.518 106 N HA 0.233 4.974 4.740 0.002 0.000 0.266 106 N C 1.070 176.593 175.510 0.022 0.000 1.196 106 N CA 0.894 53.976 53.050 0.053 0.000 0.947 106 N CB 1.252 39.766 38.487 0.046 0.000 1.098 106 N HN 0.335 nan 8.380 nan 0.000 0.450 107 G N 0.761 109.565 108.800 0.007 0.000 2.248 107 G HA2 -0.212 3.749 3.960 0.002 0.000 0.252 107 G HA3 -0.212 3.749 3.960 0.002 0.000 0.252 107 G C -0.414 174.485 174.900 -0.002 0.000 1.085 107 G CA -0.423 44.674 45.100 -0.006 0.000 0.845 107 G HN 0.657 nan 8.290 nan 0.000 0.494 108 N N -0.973 117.725 118.700 -0.002 0.000 3.102 108 N HA 0.476 5.217 4.740 0.002 0.000 0.299 108 N C 0.458 175.963 175.510 -0.008 0.000 1.482 108 N CA -0.811 52.234 53.050 -0.008 0.000 0.785 108 N CB 0.956 39.430 38.487 -0.021 0.000 1.680 108 N HN 0.036 nan 8.380 nan 0.000 0.594 109 K N 0.649 121.042 120.400 -0.011 0.000 2.397 109 K HA 0.338 4.659 4.320 0.002 0.000 0.202 109 K C 0.371 176.963 176.600 -0.013 0.000 1.022 109 K CA -0.190 56.093 56.287 -0.007 0.000 1.141 109 K CB 0.156 32.655 32.500 -0.002 0.000 0.857 109 K HN 0.399 nan 8.250 nan 0.000 0.514 110 L N 1.835 123.042 121.223 -0.026 0.000 2.529 110 L HA -0.063 4.278 4.340 0.002 0.000 0.287 110 L C 1.193 178.052 176.870 -0.019 0.000 1.241 110 L CA 0.889 55.709 54.840 -0.034 0.000 0.857 110 L CB 0.151 42.177 42.059 -0.055 0.000 1.113 110 L HN 0.277 nan 8.230 nan 0.000 0.504 111 T N -3.888 110.655 114.554 -0.019 0.000 3.326 111 T HA 0.132 4.484 4.350 0.002 0.000 0.302 111 T C -0.387 174.305 174.700 -0.015 0.000 0.908 111 T CA -0.495 61.598 62.100 -0.012 0.000 0.933 111 T CB 0.134 68.998 68.868 -0.006 0.000 1.194 111 T HN 0.502 nan 8.240 nan 0.000 0.585 112 D N 1.628 122.016 120.400 -0.021 0.000 2.602 112 D HA 0.338 4.979 4.640 0.002 0.000 0.245 112 D C 0.549 176.833 176.300 -0.028 0.000 1.325 112 D CA -0.852 53.135 54.000 -0.021 0.000 0.952 112 D CB 1.234 42.025 40.800 -0.015 0.000 1.317 112 D HN 0.445 nan 8.370 nan 0.000 0.577 113 I N 0.372 120.925 120.570 -0.028 0.000 3.904 113 I HA 0.269 4.440 4.170 0.002 0.000 0.333 113 I C 1.368 177.468 176.117 -0.029 0.000 1.361 113 I CA -0.572 60.709 61.300 -0.031 0.000 1.116 113 I CB 0.282 38.264 38.000 -0.030 0.000 1.028 113 I HN -0.009 nan 8.210 nan 0.000 0.398 114 K N 1.996 122.380 120.400 -0.027 0.000 2.063 114 K HA -0.059 4.262 4.320 0.002 0.000 0.208 114 K C -0.586 175.995 176.600 -0.031 0.000 1.048 114 K CA 1.588 57.858 56.287 -0.029 0.000 0.928 114 K CB -1.266 31.218 32.500 -0.027 0.000 0.713 114 K HN 0.311 nan 8.250 nan 0.000 0.442 115 P HA -0.155 nan 4.420 nan 0.000 0.224 115 P C 0.615 177.905 177.300 -0.017 0.000 1.142 115 P CA 1.128 64.214 63.100 -0.023 0.000 0.778 115 P CB 0.084 31.785 31.700 0.002 0.000 0.764 116 L N -2.198 119.014 121.223 -0.017 0.000 2.354 116 L HA 0.113 4.455 4.340 0.002 0.000 0.212 116 L C 2.348 179.207 176.870 -0.017 0.000 1.091 116 L CA 0.615 55.449 54.840 -0.010 0.000 0.828 116 L CB -0.911 41.141 42.059 -0.012 0.000 0.973 116 L HN -0.091 nan 8.230 nan 0.000 0.461 117 A N 0.418 123.221 122.820 -0.028 0.000 2.009 117 A HA -0.238 4.083 4.320 0.002 0.000 0.222 117 A C 1.650 179.216 177.584 -0.029 0.000 1.175 117 A CA 1.877 53.894 52.037 -0.033 0.000 0.651 117 A CB -0.465 18.510 19.000 -0.041 0.000 0.815 117 A HN 0.480 nan 8.150 nan 0.000 0.459 118 N N -0.401 118.282 118.700 -0.029 0.000 2.328 118 N HA 0.251 4.992 4.740 0.002 0.000 0.247 118 N C -0.796 174.704 175.510 -0.015 0.000 1.165 118 N CA -0.001 53.034 53.050 -0.025 0.000 0.873 118 N CB 0.436 38.903 38.487 -0.034 0.000 1.125 118 N HN 0.379 nan 8.380 nan 0.000 0.513 119 L N 1.658 122.877 121.223 -0.006 0.000 2.449 119 L HA 0.233 4.574 4.340 0.002 0.000 0.255 119 L C 1.522 178.395 176.870 0.005 0.000 1.167 119 L CA -0.362 54.482 54.840 0.007 0.000 1.090 119 L CB 0.472 42.543 42.059 0.020 0.000 1.385 119 L HN -0.227 nan 8.230 nan 0.000 0.411 120 K N 0.668 121.070 120.400 0.002 0.000 2.218 120 K HA -0.164 4.157 4.320 0.002 0.000 0.205 120 K C 0.875 177.475 176.600 -0.001 0.000 1.046 120 K CA 1.242 57.529 56.287 0.000 0.000 0.933 120 K CB -0.001 32.499 32.500 0.001 0.000 0.728 120 K HN 0.598 nan 8.250 nan 0.000 0.454 121 N N 0.848 119.548 118.700 0.001 0.000 2.314 121 N HA -0.010 4.731 4.740 0.002 0.000 0.200 121 N C -0.259 175.242 175.510 -0.014 0.000 1.135 121 N CA -0.225 52.820 53.050 -0.008 0.000 0.835 121 N CB 0.196 38.679 38.487 -0.006 0.000 0.989 121 N HN -0.021 nan 8.380 nan 0.000 0.478 122 L N 0.431 121.652 121.223 -0.004 0.000 2.416 122 L HA 0.211 4.552 4.340 0.002 0.000 0.272 122 L C 1.121 177.988 176.870 -0.005 0.000 1.161 122 L CA 0.610 55.450 54.840 -0.000 0.000 0.845 122 L CB 1.154 43.220 42.059 0.011 0.000 1.119 122 L HN 0.022 nan 8.230 nan 0.000 0.464 123 G N 3.300 112.093 108.800 -0.011 0.000 2.849 123 G HA2 0.030 3.991 3.960 0.002 0.000 0.202 123 G HA3 0.030 3.991 3.960 0.002 0.000 0.202 123 G C -0.727 174.300 174.900 0.212 0.000 1.138 123 G CA -0.144 44.962 45.100 0.010 0.000 0.692 123 G HN 0.461 nan 8.290 nan 0.000 0.786 124 W N 0.572 121.846 121.300 -0.044 0.000 2.429 124 W HA 0.812 5.474 4.660 0.003 0.000 0.314 124 W C -1.034 175.381 176.519 -0.173 0.000 1.062 124 W CA -1.574 55.711 57.345 -0.100 0.000 1.211 124 W CB 1.300 30.801 29.460 0.068 0.000 1.305 124 W HN 0.013 nan 8.180 nan 0.000 0.476 125 L N 4.683 125.800 121.223 -0.176 0.000 2.476 125 L HA 0.612 4.953 4.340 0.002 0.000 0.269 125 L C -2.012 174.619 176.870 -0.399 0.000 0.965 125 L CA -0.823 53.922 54.840 -0.157 0.000 0.845 125 L CB 0.865 42.871 42.059 -0.088 0.000 1.259 125 L HN 0.160 nan 8.230 nan 0.000 0.403 126 F N 6.273 126.133 119.950 -0.150 0.000 2.445 126 F HA 0.567 5.095 4.527 0.002 0.000 0.348 126 F C -0.112 175.651 175.800 -0.062 0.000 1.125 126 F CA -0.451 57.476 58.000 -0.122 0.000 0.983 126 F CB 1.509 40.407 39.000 -0.170 0.000 1.198 126 F HN 0.262 nan 8.300 nan 0.000 0.436 127 L N 3.285 124.556 121.223 0.079 0.000 2.913 127 L HA 0.348 4.689 4.340 0.002 0.000 0.283 127 L C -0.770 176.131 176.870 0.052 0.000 1.336 127 L CA -0.437 54.434 54.840 0.053 0.000 0.815 127 L CB 0.061 42.127 42.059 0.012 0.000 1.188 127 L HN 0.385 nan 8.230 nan 0.000 0.551 128 D N 1.387 121.831 120.400 0.073 0.000 2.341 128 D HA 0.137 4.778 4.640 0.002 0.000 0.245 128 D C 0.728 177.061 176.300 0.054 0.000 1.106 128 D CA 0.136 54.180 54.000 0.073 0.000 0.905 128 D CB 1.092 41.935 40.800 0.072 0.000 1.202 128 D HN 0.291 nan 8.370 nan 0.000 0.426 129 E N -0.621 119.626 120.200 0.079 0.000 3.181 129 E HA -0.174 4.177 4.350 0.002 0.000 0.293 129 E C 0.084 176.704 176.600 0.033 0.000 0.936 129 E CA 0.379 56.806 56.400 0.044 0.000 0.975 129 E CB -0.746 28.939 29.700 -0.026 0.000 1.496 129 E HN 0.426 nan 8.360 nan 0.000 0.429 130 N N 0.111 118.833 118.700 0.038 0.000 2.645 130 N HA 0.325 5.066 4.740 0.002 0.000 0.308 130 N C 0.424 175.949 175.510 0.024 0.000 1.335 130 N CA -0.284 52.779 53.050 0.021 0.000 0.909 130 N CB 0.416 38.909 38.487 0.009 0.000 1.109 130 N HN -0.039 nan 8.380 nan 0.000 0.555 131 K N 0.332 120.739 120.400 0.012 0.000 2.860 131 K HA 0.293 4.614 4.320 0.002 0.000 0.204 131 K C -1.041 175.561 176.600 0.004 0.000 1.127 131 K CA -0.091 56.203 56.287 0.011 0.000 1.050 131 K CB 0.876 33.382 32.500 0.010 0.000 0.745 131 K HN 0.125 nan 8.250 nan 0.000 0.459 132 V N 2.341 122.256 119.914 0.001 0.000 2.415 132 V HA 0.054 4.175 4.120 0.002 0.000 0.267 132 V C 0.735 176.826 176.094 -0.004 0.000 1.042 132 V CA 0.525 62.822 62.300 -0.006 0.000 1.000 132 V CB 0.791 32.608 31.823 -0.011 0.000 1.015 132 V HN 0.313 nan 8.190 nan 0.000 0.478 133 K N 2.205 122.602 120.400 -0.005 0.000 2.373 133 K HA 0.134 4.456 4.320 0.002 0.000 0.200 133 K C 0.303 176.899 176.600 -0.006 0.000 1.054 133 K CA -0.045 56.239 56.287 -0.005 0.000 1.065 133 K CB 0.539 33.037 32.500 -0.003 0.000 0.886 133 K HN 0.787 nan 8.250 nan 0.000 0.546 134 D N 2.366 122.761 120.400 -0.009 0.000 2.943 134 D HA 0.015 4.656 4.640 0.002 0.000 0.249 134 D C 0.677 176.969 176.300 -0.014 0.000 1.231 134 D CA -0.318 53.676 54.000 -0.011 0.000 0.979 134 D CB 0.357 41.149 40.800 -0.013 0.000 1.053 134 D HN 0.031 nan 8.370 nan 0.000 0.504 135 L N -0.924 120.293 121.223 -0.009 0.000 2.675 135 L HA 0.025 4.366 4.340 0.002 0.000 0.238 135 L C 1.770 178.634 176.870 -0.011 0.000 1.155 135 L CA 0.310 55.144 54.840 -0.010 0.000 0.881 135 L CB -1.343 40.713 42.059 -0.005 0.000 1.008 135 L HN 0.126 nan 8.230 nan 0.000 0.443 136 S N -2.714 112.975 115.700 -0.018 0.000 2.607 136 S HA 0.025 4.496 4.470 0.002 0.000 0.224 136 S C 1.708 176.264 174.600 -0.075 0.000 0.969 136 S CA 0.555 58.730 58.200 -0.042 0.000 0.927 136 S CB -0.471 62.706 63.200 -0.039 0.000 0.772 136 S HN 0.445 nan 8.310 nan 0.000 0.533 137 S N 1.682 117.350 115.700 -0.052 0.000 2.489 137 S HA 0.263 4.734 4.470 0.002 0.000 0.228 137 S C 1.288 175.855 174.600 -0.055 0.000 0.995 137 S CA 0.400 58.567 58.200 -0.055 0.000 0.934 137 S CB -0.353 62.823 63.200 -0.040 0.000 0.771 137 S HN 0.553 nan 8.310 nan 0.000 0.522 138 L N 0.859 122.054 121.223 -0.046 0.000 2.591 138 L HA 0.206 4.548 4.340 0.002 0.000 0.228 138 L C 1.777 178.625 176.870 -0.037 0.000 1.133 138 L CA 0.265 55.086 54.840 -0.033 0.000 0.880 138 L CB -0.413 41.635 42.059 -0.019 0.000 1.033 138 L HN 0.101 nan 8.230 nan 0.000 0.450 139 K N 0.417 120.765 120.400 -0.088 0.000 2.366 139 K HA -0.178 4.143 4.320 0.002 0.000 0.202 139 K C 0.550 177.118 176.600 -0.054 0.000 1.045 139 K CA 1.124 57.329 56.287 -0.137 0.000 0.934 139 K CB 0.017 32.280 32.500 -0.395 0.000 0.746 139 K HN 0.338 nan 8.250 nan 0.000 0.470 140 D N -0.314 120.062 120.400 -0.040 0.000 2.503 140 D HA 0.076 4.717 4.640 0.002 0.000 0.218 140 D C -0.155 176.141 176.300 -0.007 0.000 1.183 140 D CA 0.033 54.022 54.000 -0.018 0.000 0.827 140 D CB 0.569 41.353 40.800 -0.027 0.000 1.034 140 D HN 0.064 nan 8.370 nan 0.000 0.510 141 L N 1.747 122.967 121.223 -0.005 0.000 2.376 141 L HA 0.116 4.457 4.340 0.002 0.000 0.250 141 L C 1.361 178.236 176.870 0.008 0.000 1.335 141 L CA 0.007 54.847 54.840 -0.000 0.000 1.214 141 L CB 0.004 42.062 42.059 -0.003 0.000 1.395 141 L HN -0.394 nan 8.230 nan 0.000 0.424 142 K N 0.845 121.251 120.400 0.009 0.000 2.525 142 K HA -0.015 4.306 4.320 0.002 0.000 0.192 142 K C 1.216 177.823 176.600 0.013 0.000 1.029 142 K CA 0.566 56.861 56.287 0.014 0.000 1.029 142 K CB 0.195 32.704 32.500 0.014 0.000 0.814 142 K HN 0.446 nan 8.250 nan 0.000 0.503 143 K N 0.208 120.614 120.400 0.010 0.000 2.355 143 K HA 0.101 4.422 4.320 0.002 0.000 0.198 143 K C 0.155 176.766 176.600 0.020 0.000 1.039 143 K CA -0.337 55.956 56.287 0.009 0.000 1.075 143 K CB 0.310 32.809 32.500 -0.002 0.000 0.870 143 K HN -0.073 nan 8.250 nan 0.000 0.540 144 L N 2.234 123.471 121.223 0.022 0.000 2.534 144 L HA -0.064 4.277 4.340 0.002 0.000 0.271 144 L C 0.738 177.640 176.870 0.053 0.000 1.178 144 L CA 0.812 55.673 54.840 0.035 0.000 0.907 144 L CB 0.526 42.593 42.059 0.014 0.000 1.164 144 L HN -0.085 nan 8.230 nan 0.000 0.482 145 K N 1.958 122.424 120.400 0.111 0.000 2.306 145 K HA 0.201 4.523 4.320 0.002 0.000 0.200 145 K C 0.362 177.018 176.600 0.093 0.000 1.083 145 K CA 0.418 56.781 56.287 0.126 0.000 0.959 145 K CB 0.220 32.846 32.500 0.211 0.000 0.994 145 K HN 0.576 nan 8.250 nan 0.000 0.492 146 S N 1.314 117.083 115.700 0.116 0.000 2.449 146 S HA 0.551 5.023 4.470 0.002 0.000 0.310 146 S C -1.200 173.263 174.600 -0.229 0.000 1.096 146 S CA -0.706 57.443 58.200 -0.085 0.000 1.095 146 S CB 0.564 63.586 63.200 -0.297 0.000 1.007 146 S HN 0.095 nan 8.310 nan 0.000 0.474 147 L N 4.736 125.834 121.223 -0.209 0.000 2.406 147 L HA 0.648 4.989 4.340 0.002 0.000 0.270 147 L C -0.595 176.190 176.870 -0.143 0.000 0.982 147 L CA 0.055 54.759 54.840 -0.227 0.000 0.843 147 L CB 1.805 43.795 42.059 -0.115 0.000 1.225 147 L HN 0.695 nan 8.230 nan 0.000 0.412 148 S N 5.854 121.381 115.700 -0.289 0.000 2.437 148 S HA 0.750 5.221 4.470 0.002 0.000 0.305 148 S C -0.492 174.091 174.600 -0.028 0.000 1.109 148 S CA -0.431 57.722 58.200 -0.079 0.000 1.099 148 S CB 0.562 63.675 63.200 -0.144 0.000 1.004 148 S HN 0.700 nan 8.310 nan 0.000 0.475 149 L N 4.248 125.489 121.223 0.030 0.000 2.745 149 L HA 0.350 4.691 4.340 0.002 0.000 0.296 149 L C -0.320 176.575 176.870 0.043 0.000 1.362 149 L CA -0.150 54.704 54.840 0.024 0.000 0.724 149 L CB 0.746 42.805 42.059 0.000 0.000 1.069 149 L HN 0.640 nan 8.230 nan 0.000 0.535 150 E N -0.038 120.206 120.200 0.074 0.000 2.313 150 E HA 0.276 4.627 4.350 0.002 0.000 0.272 150 E C -0.147 176.545 176.600 0.154 0.000 1.038 150 E CA -0.613 55.839 56.400 0.087 0.000 0.863 150 E CB 0.509 30.287 29.700 0.129 0.000 1.060 150 E HN 0.185 nan 8.360 nan 0.000 0.402 151 H N 1.710 120.784 119.070 0.008 0.000 2.882 151 H HA -0.139 4.418 4.556 0.002 0.000 0.314 151 H C -0.131 175.199 175.328 0.004 0.000 1.270 151 H CA 0.207 56.258 56.048 0.005 0.000 1.165 151 H CB -1.041 28.724 29.762 0.005 0.000 1.436 151 H HN 0.600 nan 8.280 nan 0.000 0.431 152 N N -0.107 118.624 118.700 0.053 0.000 2.227 152 N HA 0.095 4.837 4.740 0.002 0.000 0.196 152 N C 1.498 177.018 175.510 0.016 0.000 1.142 152 N CA 0.970 54.042 53.050 0.037 0.000 0.887 152 N CB 1.205 39.705 38.487 0.023 0.000 1.022 152 N HN 0.621 nan 8.380 nan 0.000 0.500 153 G N 1.817 110.615 108.800 -0.003 0.000 2.142 153 G HA2 -0.216 3.745 3.960 0.002 0.000 0.225 153 G HA3 -0.216 3.745 3.960 0.002 0.000 0.225 153 G C -0.109 174.784 174.900 -0.012 0.000 1.015 153 G CA -0.308 44.787 45.100 -0.008 0.000 0.716 153 G HN 0.239 nan 8.290 nan 0.000 0.508 154 I N 1.221 121.781 120.570 -0.018 0.000 2.352 154 I HA 0.296 4.467 4.170 0.002 0.000 0.290 154 I C 1.361 177.466 176.117 -0.020 0.000 1.036 154 I CA -0.191 61.099 61.300 -0.016 0.000 1.336 154 I CB 1.342 39.332 38.000 -0.015 0.000 1.407 154 I HN 0.079 nan 8.210 nan 0.000 0.497 155 S N 3.065 118.757 115.700 -0.014 0.000 2.438 155 S HA -0.016 4.455 4.470 0.002 0.000 0.220 155 S C 0.339 174.931 174.600 -0.013 0.000 1.045 155 S CA 0.216 58.408 58.200 -0.014 0.000 0.940 155 S CB -0.012 63.183 63.200 -0.009 0.000 0.863 155 S HN 0.739 nan 8.310 nan 0.000 0.539 156 D N 1.826 122.221 120.400 -0.009 0.000 2.317 156 D HA 0.254 4.895 4.640 0.002 0.000 0.234 156 D C 0.217 176.513 176.300 -0.005 0.000 1.112 156 D CA -0.367 53.629 54.000 -0.006 0.000 0.840 156 D CB 0.555 41.354 40.800 -0.002 0.000 1.078 156 D HN 0.173 nan 8.370 nan 0.000 0.486 157 I N 1.177 121.743 120.570 -0.008 0.000 3.816 157 I HA 0.305 4.476 4.170 0.002 0.000 0.334 157 I C 0.212 176.328 176.117 -0.002 0.000 1.551 157 I CA -0.306 60.989 61.300 -0.007 0.000 1.153 157 I CB -0.390 37.600 38.000 -0.016 0.000 1.197 157 I HN 0.149 nan 8.210 nan 0.000 0.439 158 N N 2.585 121.288 118.700 0.004 0.000 2.520 158 N HA -0.023 4.718 4.740 0.002 0.000 0.185 158 N C 1.941 177.471 175.510 0.033 0.000 1.068 158 N CA 1.202 54.255 53.050 0.006 0.000 0.911 158 N CB -0.131 38.359 38.487 0.005 0.000 0.961 158 N HN 0.624 nan 8.380 nan 0.000 0.446 159 G N 0.798 109.630 108.800 0.054 0.000 2.462 159 G HA2 -0.178 3.784 3.960 0.002 0.000 0.220 159 G HA3 -0.178 3.784 3.960 0.002 0.000 0.220 159 G C 1.470 176.446 174.900 0.126 0.000 1.121 159 G CA 0.236 45.403 45.100 0.112 0.000 0.758 159 G HN 0.295 nan 8.290 nan 0.000 0.559 160 L N 0.360 121.611 121.223 0.047 0.000 2.353 160 L HA -0.027 4.314 4.340 0.002 0.000 0.220 160 L C 2.681 179.551 176.870 0.001 0.000 1.133 160 L CA 0.032 54.885 54.840 0.022 0.000 0.798 160 L CB -0.255 41.799 42.059 -0.008 0.000 0.922 160 L HN 0.152 nan 8.230 nan 0.000 0.445 161 V N -0.496 119.392 119.914 -0.043 0.000 3.026 161 V HA -0.266 3.855 4.120 0.002 0.000 0.265 161 V C 2.029 177.986 176.094 -0.229 0.000 1.121 161 V CA 1.613 63.818 62.300 -0.159 0.000 1.142 161 V CB -0.668 31.006 31.823 -0.249 0.000 0.730 161 V HN 0.547 nan 8.190 nan 0.000 0.503 162 H N -0.699 118.361 119.070 -0.016 0.000 2.551 162 H HA 0.272 4.830 4.556 0.003 0.000 0.271 162 H C 0.023 175.343 175.328 -0.014 0.000 0.984 162 H CA 0.200 56.240 56.048 -0.013 0.000 1.164 162 H CB 0.479 30.233 29.762 -0.013 0.000 1.437 162 H HN 0.394 nan 8.280 nan 0.000 0.550 163 L N 2.107 123.368 121.223 0.065 0.000 2.637 163 L HA 0.251 4.592 4.340 0.002 0.000 0.241 163 L C -1.724 175.149 176.870 0.006 0.000 1.398 163 L CA -1.173 53.687 54.840 0.034 0.000 0.895 163 L CB 1.507 43.582 42.059 0.027 0.000 1.183 163 L HN -0.146 nan 8.230 nan 0.000 0.497 164 P HA -0.199 nan 4.420 nan 0.000 0.222 164 P C 1.073 178.370 177.300 -0.006 0.000 1.147 164 P CA 1.042 64.135 63.100 -0.011 0.000 0.790 164 P CB 0.346 32.038 31.700 -0.013 0.000 0.780 165 Q N 0.094 119.896 119.800 0.003 0.000 2.472 165 Q HA -0.008 4.333 4.340 0.002 0.000 0.208 165 Q C 0.894 176.899 176.000 0.008 0.000 0.958 165 Q CA 0.117 55.924 55.803 0.008 0.000 0.932 165 Q CB -1.100 27.646 28.738 0.014 0.000 1.007 165 Q HN 0.300 nan 8.270 nan 0.000 0.508 166 L N 2.156 123.379 121.223 -0.001 0.000 2.615 166 L HA -0.107 4.234 4.340 0.002 0.000 0.284 166 L C 1.235 178.097 176.870 -0.013 0.000 1.237 166 L CA 0.625 55.460 54.840 -0.009 0.000 0.905 166 L CB 0.358 42.398 42.059 -0.031 0.000 1.149 166 L HN 0.267 nan 8.230 nan 0.000 0.499 167 E N 0.612 120.811 120.200 -0.002 0.000 2.413 167 E HA 0.114 4.465 4.350 0.002 0.000 0.203 167 E C -0.355 176.219 176.600 -0.044 0.000 0.957 167 E CA 0.080 56.479 56.400 -0.002 0.000 0.950 167 E CB 0.726 30.451 29.700 0.041 0.000 0.957 167 E HN 0.570 nan 8.360 nan 0.000 0.497 168 S N 0.911 116.564 115.700 -0.078 0.000 2.614 168 S HA 0.456 4.927 4.470 0.002 0.000 0.275 168 S C -1.572 172.852 174.600 -0.294 0.000 1.161 168 S CA -0.706 57.376 58.200 -0.196 0.000 0.969 168 S CB 2.067 65.218 63.200 -0.083 0.000 1.059 168 S HN 0.059 nan 8.310 nan 0.000 0.482 169 L N 3.460 124.372 121.223 -0.517 0.000 2.439 169 L HA 0.610 4.951 4.340 0.002 0.000 0.270 169 L C -2.186 174.329 176.870 -0.592 0.000 0.972 169 L CA -0.474 54.130 54.840 -0.394 0.000 0.836 169 L CB 0.887 42.820 42.059 -0.210 0.000 1.255 169 L HN 0.719 nan 8.230 nan 0.000 0.404 170 Y N 6.117 126.354 120.300 -0.105 0.000 2.575 170 Y HA 0.446 4.997 4.550 0.001 0.000 0.326 170 Y C 0.538 176.395 175.900 -0.072 0.000 0.979 170 Y CA -0.530 57.515 58.100 -0.091 0.000 1.286 170 Y CB 1.176 39.581 38.460 -0.092 0.000 1.093 170 Y HN 0.464 nan 8.280 nan 0.000 0.501 171 L N 2.633 123.869 121.223 0.022 0.000 2.872 171 L HA 0.333 4.675 4.340 0.002 0.000 0.245 171 L C 1.264 178.130 176.870 -0.007 0.000 1.211 171 L CA -0.318 54.523 54.840 0.001 0.000 1.013 171 L CB 0.070 42.112 42.059 -0.028 0.000 1.326 171 L HN 0.779 nan 8.230 nan 0.000 0.525 172 G N -0.507 108.303 108.800 0.016 0.000 2.559 172 G HA2 -0.058 3.903 3.960 0.002 0.000 0.235 172 G HA3 -0.058 3.903 3.960 0.002 0.000 0.235 172 G C 0.440 175.296 174.900 -0.074 0.000 1.266 172 G CA -0.096 44.998 45.100 -0.010 0.000 0.847 172 G HN 0.529 nan 8.290 nan 0.000 0.583 173 N N 0.575 119.197 118.700 -0.131 0.000 2.708 173 N HA -0.150 4.591 4.740 0.002 0.000 0.255 173 N C 0.027 175.366 175.510 -0.286 0.000 1.046 173 N CA 1.101 53.971 53.050 -0.301 0.000 0.715 173 N CB -0.609 37.451 38.487 -0.712 0.000 0.895 173 N HN 0.686 nan 8.380 nan 0.000 0.545 174 N N 0.325 118.933 118.700 -0.154 0.000 3.550 174 N HA 0.326 5.067 4.740 0.002 0.000 0.357 174 N C 0.305 175.768 175.510 -0.079 0.000 1.585 174 N CA -0.401 52.585 53.050 -0.107 0.000 0.651 174 N CB 0.520 38.966 38.487 -0.069 0.000 2.273 174 N HN 0.058 nan 8.380 nan 0.000 0.631 175 K N 0.754 121.121 120.400 -0.054 0.000 2.646 175 K HA 0.461 4.782 4.320 0.002 0.000 0.206 175 K C -0.383 176.193 176.600 -0.040 0.000 1.069 175 K CA -0.082 56.181 56.287 -0.041 0.000 1.067 175 K CB 0.357 32.843 32.500 -0.024 0.000 0.807 175 K HN 0.365 nan 8.250 nan 0.000 0.482 176 I N 0.981 121.521 120.570 -0.049 0.000 2.533 176 I HA -0.038 4.133 4.170 0.002 0.000 0.284 176 I C 1.030 177.116 176.117 -0.053 0.000 1.109 176 I CA 0.377 61.651 61.300 -0.044 0.000 1.412 176 I CB 1.156 39.128 38.000 -0.045 0.000 1.396 176 I HN 0.081 nan 8.210 nan 0.000 0.543 177 T N 2.270 116.802 114.554 -0.036 0.000 3.085 177 T HA 0.013 4.364 4.350 0.002 0.000 0.241 177 T C 0.199 174.884 174.700 -0.024 0.000 0.988 177 T CA 0.343 62.424 62.100 -0.031 0.000 1.117 177 T CB 0.143 69.005 68.868 -0.009 0.000 0.978 177 T HN 0.559 nan 8.240 nan 0.000 0.454 178 D N 1.891 122.279 120.400 -0.019 0.000 2.392 178 D HA 0.259 4.900 4.640 0.002 0.000 0.228 178 D C 0.261 176.548 176.300 -0.021 0.000 1.074 178 D CA -0.686 53.304 54.000 -0.016 0.000 0.838 178 D CB 0.597 41.391 40.800 -0.011 0.000 1.067 178 D HN 0.403 nan 8.370 nan 0.000 0.511 179 I N 0.836 121.391 120.570 -0.024 0.000 3.805 179 I HA 0.227 4.399 4.170 0.002 0.000 0.337 179 I C 0.958 177.060 176.117 -0.026 0.000 1.539 179 I CA -0.500 60.784 61.300 -0.028 0.000 1.176 179 I CB 0.331 38.312 38.000 -0.032 0.000 1.248 179 I HN 0.027 nan 8.210 nan 0.000 0.437 180 T N 0.696 115.236 114.554 -0.023 0.000 2.737 180 T HA -0.193 4.159 4.350 0.002 0.000 0.269 180 T C 1.889 176.572 174.700 -0.027 0.000 1.040 180 T CA 2.003 64.090 62.100 -0.023 0.000 1.142 180 T CB -0.105 68.751 68.868 -0.019 0.000 0.861 180 T HN 0.441 nan 8.240 nan 0.000 0.456 181 V N 1.475 121.372 119.914 -0.029 0.000 2.626 181 V HA -0.012 4.109 4.120 0.002 0.000 0.252 181 V C 2.010 178.082 176.094 -0.037 0.000 1.067 181 V CA 1.204 63.484 62.300 -0.034 0.000 1.081 181 V CB -0.555 31.249 31.823 -0.031 0.000 0.686 181 V HN 0.524 nan 8.190 nan 0.000 0.468 182 L N -0.139 121.063 121.223 -0.035 0.000 2.450 182 L HA -0.089 4.252 4.340 0.002 0.000 0.224 182 L C 2.479 179.327 176.870 -0.036 0.000 1.149 182 L CA 1.168 55.986 54.840 -0.037 0.000 0.816 182 L CB -0.826 41.210 42.059 -0.039 0.000 0.932 182 L HN 0.331 nan 8.230 nan 0.000 0.449 183 S N 0.076 115.756 115.700 -0.034 0.000 2.400 183 S HA -0.144 4.327 4.470 0.002 0.000 0.232 183 S C 2.000 176.580 174.600 -0.032 0.000 1.025 183 S CA 1.214 59.395 58.200 -0.031 0.000 0.993 183 S CB -0.129 63.053 63.200 -0.030 0.000 0.808 183 S HN 0.504 nan 8.310 nan 0.000 0.478 184 R N 0.384 120.862 120.500 -0.037 0.000 2.223 184 R HA 0.205 4.546 4.340 0.002 0.000 0.198 184 R C 0.205 176.485 176.300 -0.034 0.000 0.984 184 R CA 0.236 56.313 56.100 -0.038 0.000 1.018 184 R CB -0.200 30.071 30.300 -0.049 0.000 0.945 184 R HN 0.354 nan 8.270 nan 0.000 0.479 185 L N 2.954 124.156 121.223 -0.035 0.000 2.382 185 L HA 0.103 4.444 4.340 0.002 0.000 0.259 185 L C 1.084 177.936 176.870 -0.030 0.000 1.291 185 L CA -0.047 54.773 54.840 -0.033 0.000 1.176 185 L CB -0.034 42.001 42.059 -0.039 0.000 1.373 185 L HN 0.084 nan 8.230 nan 0.000 0.426 186 T N -3.828 110.711 114.554 -0.025 0.000 3.188 186 T HA 0.040 4.391 4.350 0.002 0.000 0.250 186 T C 1.218 175.908 174.700 -0.017 0.000 1.077 186 T CA -0.145 61.943 62.100 -0.021 0.000 0.967 186 T CB 0.102 68.959 68.868 -0.018 0.000 1.006 186 T HN 0.238 nan 8.240 nan 0.000 0.552 187 K N 0.418 120.808 120.400 -0.016 0.000 2.374 187 K HA 0.450 4.771 4.320 0.002 0.000 0.202 187 K C 0.187 176.779 176.600 -0.013 0.000 1.040 187 K CA -0.337 55.944 56.287 -0.009 0.000 1.085 187 K CB -0.037 32.462 32.500 -0.003 0.000 0.873 187 K HN 0.396 nan 8.250 nan 0.000 0.539 188 L N 2.508 123.715 121.223 -0.026 0.000 2.462 188 L HA 0.022 4.364 4.340 0.002 0.000 0.272 188 L C 0.864 177.716 176.870 -0.030 0.000 1.166 188 L CA 0.159 54.975 54.840 -0.040 0.000 0.880 188 L CB 0.676 42.699 42.059 -0.060 0.000 1.142 188 L HN 0.362 nan 8.230 nan 0.000 0.473 189 D N 0.130 120.515 120.400 -0.025 0.000 2.407 189 D HA 0.011 4.652 4.640 0.002 0.000 0.208 189 D C -0.042 176.251 176.300 -0.013 0.000 1.083 189 D CA 0.057 54.051 54.000 -0.010 0.000 0.844 189 D CB 0.764 41.570 40.800 0.009 0.000 0.967 189 D HN 0.390 nan 8.370 nan 0.000 0.506 190 T N 1.136 115.661 114.554 -0.048 0.000 3.335 190 T HA 0.375 4.726 4.350 0.002 0.000 0.321 190 T C -1.560 173.034 174.700 -0.176 0.000 0.960 190 T CA -0.609 61.454 62.100 -0.062 0.000 1.034 190 T CB 1.602 70.437 68.868 -0.055 0.000 1.040 190 T HN 0.075 nan 8.240 nan 0.000 0.454 191 L N 2.859 124.025 121.223 -0.094 0.000 2.386 191 L HA 0.914 5.255 4.340 0.002 0.000 0.271 191 L C -0.706 176.144 176.870 -0.034 0.000 0.993 191 L CA -0.224 54.536 54.840 -0.134 0.000 0.819 191 L CB 2.238 44.249 42.059 -0.079 0.000 1.294 191 L HN 0.537 nan 8.230 nan 0.000 0.414 192 S N 4.969 120.597 115.700 -0.120 0.000 2.707 192 S HA 0.641 5.112 4.470 0.002 0.000 0.303 192 S C -0.388 174.203 174.600 -0.015 0.000 1.132 192 S CA -0.444 57.739 58.200 -0.028 0.000 1.046 192 S CB 0.608 63.736 63.200 -0.119 0.000 1.004 192 S HN 0.705 nan 8.310 nan 0.000 0.483 193 L N 4.096 125.334 121.223 0.025 0.000 3.229 193 L HA 0.330 4.671 4.340 0.002 0.000 0.286 193 L C 0.698 177.574 176.870 0.009 0.000 1.239 193 L CA -0.384 54.455 54.840 -0.001 0.000 1.035 193 L CB 0.320 42.370 42.059 -0.015 0.000 1.408 193 L HN 0.758 nan 8.230 nan 0.000 0.593 194 E N -0.083 120.143 120.200 0.044 0.000 2.467 194 E HA -0.162 4.189 4.350 0.002 0.000 0.264 194 E C -0.245 176.360 176.600 0.008 0.000 1.020 194 E CA 0.146 56.578 56.400 0.054 0.000 0.945 194 E CB 0.358 30.113 29.700 0.091 0.000 0.942 194 E HN 0.133 nan 8.360 nan 0.000 0.449 195 D N 1.262 121.666 120.400 0.006 0.000 2.873 195 D HA -0.138 4.503 4.640 0.002 0.000 0.228 195 D C -0.659 175.603 176.300 -0.064 0.000 1.122 195 D CA 0.556 54.544 54.000 -0.018 0.000 0.758 195 D CB -0.903 39.884 40.800 -0.021 0.000 1.094 195 D HN 0.646 nan 8.370 nan 0.000 0.434 196 N N -0.447 118.199 118.700 -0.089 0.000 3.195 196 N HA 0.306 5.047 4.740 0.002 0.000 0.306 196 N C 0.301 175.669 175.510 -0.237 0.000 1.454 196 N CA -0.150 52.824 53.050 -0.126 0.000 0.752 196 N CB 0.342 38.765 38.487 -0.106 0.000 1.997 196 N HN 0.017 nan 8.380 nan 0.000 0.478 197 Q N 0.446 120.072 119.800 -0.290 0.000 2.013 197 Q HA 0.418 4.759 4.340 0.002 0.000 0.233 197 Q C -0.971 174.811 176.000 -0.364 0.000 0.834 197 Q CA -0.102 55.389 55.803 -0.520 0.000 1.040 197 Q CB 0.913 29.532 28.738 -0.199 0.000 1.248 197 Q HN 0.418 nan 8.270 nan 0.000 0.425 198 I N 1.212 121.632 120.570 -0.251 0.000 2.533 198 I HA 0.010 4.181 4.170 0.002 0.000 0.284 198 I C 1.084 177.168 176.117 -0.055 0.000 1.109 198 I CA 0.389 61.622 61.300 -0.112 0.000 1.412 198 I CB 1.152 39.108 38.000 -0.074 0.000 1.396 198 I HN 0.214 nan 8.210 nan 0.000 0.543 199 S N 1.946 117.660 115.700 0.023 0.000 2.554 199 S HA 0.087 4.558 4.470 0.002 0.000 0.227 199 S C 0.248 174.871 174.600 0.038 0.000 1.050 199 S CA -0.374 57.873 58.200 0.080 0.000 0.927 199 S CB 0.229 63.505 63.200 0.127 0.000 0.859 199 S HN 0.679 nan 8.310 nan 0.000 0.494 200 D N 2.175 122.584 120.400 0.016 0.000 2.441 200 D HA 0.352 4.993 4.640 0.002 0.000 0.231 200 D C 0.471 176.763 176.300 -0.013 0.000 1.073 200 D CA -0.758 53.243 54.000 0.003 0.000 0.850 200 D CB 0.842 41.645 40.800 0.005 0.000 1.062 200 D HN 0.473 nan 8.370 nan 0.000 0.524 201 I N 0.958 121.516 120.570 -0.021 0.000 3.974 201 I HA 0.147 4.318 4.170 0.002 0.000 0.334 201 I C 0.925 177.023 176.117 -0.031 0.000 1.437 201 I CA -0.432 60.849 61.300 -0.032 0.000 1.113 201 I CB 0.500 38.472 38.000 -0.047 0.000 1.063 201 I HN 0.045 nan 8.210 nan 0.000 0.400 202 V N 2.355 122.255 119.914 -0.024 0.000 2.380 202 V HA -0.149 3.972 4.120 0.002 0.000 0.251 202 V C -0.158 175.922 176.094 -0.023 0.000 1.063 202 V CA 2.133 64.420 62.300 -0.022 0.000 1.055 202 V CB -1.896 29.918 31.823 -0.015 0.000 0.657 202 V HN 0.448 nan 8.190 nan 0.000 0.455 203 P HA -0.043 nan 4.420 nan 0.000 0.236 203 P C 1.341 178.624 177.300 -0.028 0.000 1.172 203 P CA 1.068 64.153 63.100 -0.025 0.000 0.759 203 P CB -0.073 31.612 31.700 -0.025 0.000 0.843 204 L N -2.071 119.133 121.223 -0.031 0.000 2.585 204 L HA 0.195 4.537 4.340 0.002 0.000 0.226 204 L C 2.183 179.033 176.870 -0.032 0.000 1.113 204 L CA 0.214 55.033 54.840 -0.034 0.000 0.876 204 L CB -0.518 41.517 42.059 -0.039 0.000 1.072 204 L HN -0.063 nan 8.230 nan 0.000 0.468 205 A N 0.596 123.398 122.820 -0.029 0.000 1.940 205 A HA -0.151 4.170 4.320 0.002 0.000 0.219 205 A C 2.180 179.750 177.584 -0.024 0.000 1.176 205 A CA 1.964 53.985 52.037 -0.027 0.000 0.631 205 A CB -0.757 18.229 19.000 -0.023 0.000 0.814 205 A HN 0.425 nan 8.150 nan 0.000 0.446 206 G N -1.575 107.212 108.800 -0.023 0.000 2.986 206 G HA2 0.335 4.296 3.960 0.002 0.000 0.213 206 G HA3 0.335 4.296 3.960 0.002 0.000 0.213 206 G C 0.372 175.259 174.900 -0.021 0.000 1.156 206 G CA -0.184 44.904 45.100 -0.020 0.000 0.763 206 G HN 0.294 nan 8.290 nan 0.000 0.547 207 L N 3.157 124.365 121.223 -0.024 0.000 2.544 207 L HA 0.144 4.485 4.340 0.002 0.000 0.240 207 L C 2.342 179.198 176.870 -0.023 0.000 1.421 207 L CA 0.486 55.311 54.840 -0.025 0.000 1.206 207 L CB -0.519 41.522 42.059 -0.030 0.000 1.463 207 L HN 0.232 nan 8.230 nan 0.000 0.437 208 T N -3.433 111.109 114.554 -0.019 0.000 2.881 208 T HA -0.206 4.146 4.350 0.002 0.000 0.270 208 T C 1.584 176.275 174.700 -0.015 0.000 1.068 208 T CA 0.965 63.055 62.100 -0.017 0.000 1.131 208 T CB -0.200 68.660 68.868 -0.013 0.000 0.871 208 T HN 0.378 nan 8.240 nan 0.000 0.479 209 K N 0.739 121.131 120.400 -0.014 0.000 2.589 209 K HA 0.248 4.569 4.320 0.002 0.000 0.192 209 K C 0.244 176.837 176.600 -0.012 0.000 1.029 209 K CA -0.121 56.160 56.287 -0.010 0.000 1.031 209 K CB -0.322 32.173 32.500 -0.008 0.000 0.821 209 K HN 0.455 nan 8.250 nan 0.000 0.502 210 L N 1.298 122.510 121.223 -0.018 0.000 2.455 210 L HA -0.038 4.304 4.340 0.002 0.000 0.272 210 L C 1.487 178.346 176.870 -0.018 0.000 1.174 210 L CA 0.416 55.244 54.840 -0.021 0.000 0.869 210 L CB 0.827 42.869 42.059 -0.028 0.000 1.130 210 L HN 0.244 nan 8.230 nan 0.000 0.474 211 Q N 2.107 121.900 119.800 -0.012 0.000 2.404 211 Q HA 0.141 4.482 4.340 0.002 0.000 0.262 211 Q C -0.377 175.611 176.000 -0.019 0.000 0.846 211 Q CA 0.044 55.841 55.803 -0.011 0.000 0.978 211 Q CB 0.963 29.703 28.738 0.004 0.000 1.156 211 Q HN 0.633 nan 8.270 nan 0.000 0.548 212 N N 1.522 120.223 118.700 0.001 0.000 2.483 212 N HA 0.303 5.045 4.740 0.002 0.000 0.267 212 N C -1.743 173.780 175.510 0.022 0.000 0.998 212 N CA -0.283 52.771 53.050 0.006 0.000 0.918 212 N CB 1.978 40.565 38.487 0.166 0.000 1.215 212 N HN 0.123 nan 8.380 nan 0.000 0.500 213 L N 2.947 124.091 121.223 -0.132 0.000 2.356 213 L HA 0.549 4.890 4.340 0.002 0.000 0.277 213 L C -1.823 174.938 176.870 -0.181 0.000 0.996 213 L CA -0.766 54.040 54.840 -0.057 0.000 0.822 213 L CB 0.866 42.883 42.059 -0.070 0.000 1.256 213 L HN 0.333 nan 8.230 nan 0.000 0.413 214 Y N 5.933 126.220 120.300 -0.020 0.000 2.326 214 Y HA 0.519 5.071 4.550 0.002 0.000 0.329 214 Y C 0.159 176.058 175.900 -0.001 0.000 0.973 214 Y CA -0.685 57.416 58.100 0.003 0.000 1.162 214 Y CB 1.607 40.080 38.460 0.021 0.000 1.147 214 Y HN 0.489 nan 8.280 nan 0.000 0.456 215 L N 1.764 123.056 121.223 0.114 0.000 3.267 215 L HA 0.284 4.626 4.340 0.002 0.000 0.289 215 L C 0.245 177.169 176.870 0.090 0.000 1.260 215 L CA -0.080 54.802 54.840 0.069 0.000 1.034 215 L CB 0.336 42.397 42.059 0.003 0.000 1.413 215 L HN 0.453 nan 8.230 nan 0.000 0.594 216 S N 0.825 116.609 115.700 0.139 0.000 2.596 216 S HA 0.140 4.612 4.470 0.002 0.000 0.260 216 S C 0.616 175.287 174.600 0.119 0.000 1.336 216 S CA -0.455 57.844 58.200 0.165 0.000 0.993 216 S CB 0.391 63.721 63.200 0.217 0.000 0.923 216 S HN 0.310 nan 8.310 nan 0.000 0.567 217 K N -0.222 120.254 120.400 0.126 0.000 3.096 217 K HA -0.171 4.150 4.320 0.002 0.000 0.266 217 K C -0.521 176.104 176.600 0.042 0.000 1.043 217 K CA 0.536 56.877 56.287 0.090 0.000 0.758 217 K CB -2.351 30.197 32.500 0.080 0.000 1.260 217 K HN 0.528 nan 8.250 nan 0.000 0.481 218 N N 0.173 118.902 118.700 0.048 0.000 3.223 218 N HA 0.318 5.059 4.740 0.002 0.000 0.350 218 N C 0.277 175.868 175.510 0.134 0.000 1.425 218 N CA -0.477 52.535 53.050 -0.063 0.000 0.668 218 N CB 0.315 38.761 38.487 -0.069 0.000 1.435 218 N HN 0.183 nan 8.380 nan 0.000 0.569 219 H N 0.068 119.166 119.070 0.047 0.000 2.575 219 H HA 0.368 4.926 4.556 0.002 0.000 0.256 219 H C -0.295 175.079 175.328 0.076 0.000 1.162 219 H CA -0.361 55.717 56.048 0.051 0.000 0.969 219 H CB 0.167 29.945 29.762 0.026 0.000 1.796 219 H HN 0.269 nan 8.280 nan 0.000 0.607 220 I N 1.082 121.776 120.570 0.206 0.000 2.598 220 I HA -0.012 4.159 4.170 0.002 0.000 0.284 220 I C 0.951 177.226 176.117 0.263 0.000 1.140 220 I CA 0.527 61.924 61.300 0.161 0.000 1.420 220 I CB 0.831 38.869 38.000 0.064 0.000 1.387 220 I HN 0.056 nan 8.210 nan 0.000 0.553 221 S N 3.218 119.022 115.700 0.174 0.000 2.520 221 S HA 0.068 4.539 4.470 0.002 0.000 0.219 221 S C 0.173 174.866 174.600 0.156 0.000 1.028 221 S CA -0.129 58.162 58.200 0.152 0.000 0.921 221 S CB 0.277 63.517 63.200 0.066 0.000 0.844 221 S HN 0.848 nan 8.310 nan 0.000 0.495 222 D N 0.270 120.731 120.400 0.102 0.000 2.861 222 D HA 0.250 4.892 4.640 0.002 0.000 0.216 222 D C -0.300 175.969 176.300 -0.050 0.000 1.323 222 D CA -0.435 53.594 54.000 0.049 0.000 0.917 222 D CB 0.726 41.543 40.800 0.028 0.000 1.582 222 D HN -0.049 nan 8.370 nan 0.000 0.576 223 L N 3.573 124.743 121.223 -0.088 0.000 2.685 223 L HA 0.329 4.670 4.340 0.002 0.000 0.233 223 L C 2.085 178.907 176.870 -0.080 0.000 1.173 223 L CA -0.361 54.380 54.840 -0.165 0.000 0.961 223 L CB -0.145 41.754 42.059 -0.268 0.000 1.217 223 L HN 0.396 nan 8.230 nan 0.000 0.478 224 R N 0.916 121.392 120.500 -0.039 0.000 2.170 224 R HA -0.167 4.174 4.340 0.002 0.000 0.242 224 R C 2.323 178.604 176.300 -0.032 0.000 1.145 224 R CA 1.386 57.472 56.100 -0.024 0.000 0.984 224 R CB -0.133 30.161 30.300 -0.010 0.000 0.869 224 R HN 0.441 nan 8.270 nan 0.000 0.455 225 A N 0.626 123.420 122.820 -0.043 0.000 1.930 225 A HA -0.090 4.231 4.320 0.002 0.000 0.217 225 A C 1.727 179.283 177.584 -0.046 0.000 1.175 225 A CA 1.007 53.020 52.037 -0.041 0.000 0.627 225 A CB -0.088 18.885 19.000 -0.044 0.000 0.815 225 A HN 0.148 nan 8.150 nan 0.000 0.443 226 L N -0.279 120.908 121.223 -0.061 0.000 2.627 226 L HA 0.219 4.561 4.340 0.002 0.000 0.233 226 L C 2.418 179.262 176.870 -0.045 0.000 1.144 226 L CA 0.761 55.566 54.840 -0.059 0.000 0.892 226 L CB -0.712 41.298 42.059 -0.082 0.000 1.039 226 L HN 0.309 nan 8.230 nan 0.000 0.442 227 A N 0.671 123.470 122.820 -0.035 0.000 1.917 227 A HA -0.171 4.151 4.320 0.002 0.000 0.219 227 A C 2.319 179.890 177.584 -0.021 0.000 1.182 227 A CA 1.991 54.014 52.037 -0.024 0.000 0.633 227 A CB -1.007 17.983 19.000 -0.017 0.000 0.819 227 A HN 0.449 nan 8.150 nan 0.000 0.448 228 G N -1.157 107.630 108.800 -0.021 0.000 3.042 228 G HA2 0.326 4.287 3.960 0.002 0.000 0.212 228 G HA3 0.326 4.287 3.960 0.002 0.000 0.212 228 G C 0.591 175.479 174.900 -0.019 0.000 1.166 228 G CA -0.280 44.809 45.100 -0.018 0.000 0.767 228 G HN 0.401 nan 8.290 nan 0.000 0.546 229 L N 1.300 122.508 121.223 -0.025 0.000 2.388 229 L HA 0.155 4.496 4.340 0.002 0.000 0.252 229 L C 1.661 178.518 176.870 -0.023 0.000 1.357 229 L CA -0.058 54.766 54.840 -0.026 0.000 1.214 229 L CB 0.139 42.177 42.059 -0.035 0.000 1.392 229 L HN 0.121 nan 8.230 nan 0.000 0.432 230 K N 0.697 121.087 120.400 -0.017 0.000 2.525 230 K HA -0.019 4.302 4.320 0.002 0.000 0.192 230 K C 1.004 177.597 176.600 -0.012 0.000 1.029 230 K CA 0.250 56.529 56.287 -0.013 0.000 1.029 230 K CB 0.273 32.768 32.500 -0.009 0.000 0.814 230 K HN 0.471 nan 8.250 nan 0.000 0.503 231 N N 0.260 118.951 118.700 -0.014 0.000 2.236 231 N HA 0.079 4.820 4.740 0.002 0.000 0.196 231 N C -0.098 175.403 175.510 -0.015 0.000 1.114 231 N CA 0.024 53.067 53.050 -0.012 0.000 0.859 231 N CB 0.375 38.856 38.487 -0.009 0.000 0.982 231 N HN 0.104 nan 8.380 nan 0.000 0.493 232 L N 0.407 121.616 121.223 -0.024 0.000 2.483 232 L HA -0.011 4.330 4.340 0.002 0.000 0.276 232 L C 1.287 178.138 176.870 -0.031 0.000 1.213 232 L CA 0.527 55.346 54.840 -0.035 0.000 0.843 232 L CB 0.566 42.596 42.059 -0.049 0.000 1.107 232 L HN 0.056 nan 8.230 nan 0.000 0.487 233 D N 0.180 120.557 120.400 -0.038 0.000 2.318 233 D HA 0.110 4.751 4.640 0.002 0.000 0.294 233 D C -0.575 175.695 176.300 -0.050 0.000 1.091 233 D CA 0.183 54.165 54.000 -0.030 0.000 0.883 233 D CB 0.871 41.664 40.800 -0.012 0.000 1.545 233 D HN 0.133 nan 8.370 nan 0.000 0.513 234 V N 1.872 121.734 119.914 -0.087 0.000 2.577 234 V HA 0.590 4.711 4.120 0.002 0.000 0.303 234 V C -1.217 174.717 176.094 -0.268 0.000 1.042 234 V CA -0.830 61.376 62.300 -0.156 0.000 0.872 234 V CB 1.778 33.511 31.823 -0.150 0.000 0.998 234 V HN 0.215 nan 8.190 nan 0.000 0.423 235 L N 4.316 125.390 121.223 -0.249 0.000 2.422 235 L HA 0.760 5.101 4.340 0.002 0.000 0.264 235 L C -0.741 175.997 176.870 -0.220 0.000 0.984 235 L CA 0.066 54.752 54.840 -0.256 0.000 0.819 235 L CB 2.432 44.407 42.059 -0.140 0.000 1.330 235 L HN 0.727 nan 8.230 nan 0.000 0.410 236 E N 4.908 124.989 120.200 -0.199 0.000 2.293 236 E HA 0.578 4.929 4.350 0.002 0.000 0.270 236 E C -0.972 175.656 176.600 0.046 0.000 0.879 236 E CA -0.446 55.928 56.400 -0.044 0.000 0.756 236 E CB 2.444 32.147 29.700 0.005 0.000 1.208 236 E HN 0.659 nan 8.360 nan 0.000 0.428 237 L N 2.457 123.768 121.223 0.147 0.000 3.584 237 L HA 0.260 4.601 4.340 0.002 0.000 0.354 237 L C -0.660 176.411 176.870 0.335 0.000 1.345 237 L CA -0.206 54.745 54.840 0.184 0.000 0.970 237 L CB 0.516 42.632 42.059 0.094 0.000 1.374 237 L HN 0.452 nan 8.230 nan 0.000 0.612 238 F N 0.558 120.597 119.950 0.149 0.000 2.403 238 F HA 0.295 4.823 4.527 0.002 0.000 0.320 238 F C 1.611 177.530 175.800 0.198 0.000 1.176 238 F CA 0.721 58.840 58.000 0.198 0.000 1.206 238 F CB 1.182 40.261 39.000 0.132 0.000 1.235 238 F HN 0.083 nan 8.300 nan 0.000 0.565 239 S N 1.914 117.607 115.700 -0.012 0.000 3.631 239 S HA -0.190 4.281 4.470 0.002 0.000 0.366 239 S C -0.192 174.369 174.600 -0.065 0.000 0.993 239 S CA 0.034 58.191 58.200 -0.072 0.000 1.167 239 S CB -1.443 61.867 63.200 0.184 0.000 0.909 239 S HN 0.540 nan 8.310 nan 0.000 0.478 240 Q N 0.988 120.715 119.800 -0.121 0.000 2.443 240 Q HA 0.319 4.660 4.340 0.002 0.000 0.232 240 Q C 0.665 176.662 176.000 -0.004 0.000 1.026 240 Q CA 0.219 56.051 55.803 0.048 0.000 0.924 240 Q CB 0.365 29.248 28.738 0.242 0.000 1.256 240 Q HN 0.389 nan 8.270 nan 0.000 0.519 241 E N 0.838 121.106 120.200 0.114 0.000 3.626 241 E HA 0.176 4.527 4.350 0.002 0.000 0.245 241 E C -1.077 175.474 176.600 -0.081 0.000 1.236 241 E CA -0.197 56.215 56.400 0.019 0.000 1.072 241 E CB 0.392 30.122 29.700 0.049 0.000 1.309 241 E HN 0.509 nan 8.360 nan 0.000 0.400 242 C N 1.660 120.935 119.300 -0.041 0.000 2.632 242 C HA 0.413 4.874 4.460 0.002 0.000 0.415 242 C C 0.548 175.445 174.990 -0.155 0.000 1.332 242 C CA -0.681 58.289 59.018 -0.080 0.000 1.874 242 C CB -0.712 27.022 27.740 -0.010 0.000 2.596 242 C HN 0.509 nan 8.230 nan 0.000 0.590 243 L N 4.564 125.680 121.223 -0.179 0.000 2.365 243 L HA 0.628 4.969 4.340 0.002 0.000 0.273 243 L C -0.596 176.220 176.870 -0.090 0.000 1.000 243 L CA 0.058 54.809 54.840 -0.149 0.000 0.819 243 L CB 1.068 43.019 42.059 -0.181 0.000 1.284 243 L HN 0.604 nan 8.230 nan 0.000 0.418 244 N N 2.609 121.269 118.700 -0.067 0.000 2.472 244 N HA 0.400 5.142 4.740 0.002 0.000 0.289 244 N C -0.886 174.608 175.510 -0.027 0.000 1.156 244 N CA -0.687 52.344 53.050 -0.032 0.000 0.940 244 N CB 1.123 39.605 38.487 -0.008 0.000 1.200 244 N HN 0.417 nan 8.380 nan 0.000 0.511 245 K N 1.391 121.784 120.400 -0.010 0.000 2.350 245 K HA 0.278 4.599 4.320 0.002 0.000 0.279 245 K C -2.157 174.441 176.600 -0.004 0.000 1.027 245 K CA -1.363 54.920 56.287 -0.007 0.000 0.969 245 K CB -0.133 32.368 32.500 0.001 0.000 0.954 245 K HN 0.346 nan 8.250 nan 0.000 0.474 246 P HA -0.005 nan 4.420 nan 0.000 0.266 246 P C -0.311 176.995 177.300 0.010 0.000 1.186 246 P CA 0.409 63.511 63.100 0.003 0.000 0.767 246 P CB 0.453 32.157 31.700 0.007 0.000 0.820 247 I N 1.969 122.550 120.570 0.018 0.000 2.686 247 I HA 0.187 4.358 4.170 0.002 0.000 0.295 247 I C -0.093 176.045 176.117 0.035 0.000 1.114 247 I CA -0.906 60.406 61.300 0.020 0.000 1.038 247 I CB 1.885 39.895 38.000 0.017 0.000 1.238 247 I HN 0.217 nan 8.210 nan 0.000 0.420 248 N N 4.564 123.276 118.700 0.020 0.000 2.411 248 N HA -0.049 4.692 4.740 0.002 0.000 0.265 248 N C 0.141 175.675 175.510 0.040 0.000 1.266 248 N CA 0.240 53.300 53.050 0.017 0.000 0.889 248 N CB 0.126 38.605 38.487 -0.013 0.000 1.069 248 N HN 0.442 nan 8.380 nan 0.000 0.476 249 H N 2.281 121.354 119.070 0.005 0.000 2.928 249 H HA 0.053 4.610 4.556 0.002 0.000 0.338 249 H C -0.670 174.666 175.328 0.013 0.000 1.047 249 H CA 0.498 56.577 56.048 0.052 0.000 1.435 249 H CB 0.696 30.594 29.762 0.227 0.000 1.428 249 H HN 0.429 nan 8.280 nan 0.000 0.590 250 Q N 2.109 121.489 119.800 -0.700 0.000 2.433 250 Q HA 0.249 4.590 4.340 0.002 0.000 0.279 250 Q C 0.738 176.358 176.000 -0.633 0.000 1.105 250 Q CA -0.787 54.656 55.803 -0.600 0.000 0.815 250 Q CB 2.211 30.818 28.738 -0.218 0.000 1.403 250 Q HN 0.677 nan 8.270 nan 0.000 0.435 251 S N 0.689 116.179 115.700 -0.349 0.000 2.507 251 S HA -0.041 4.431 4.470 0.002 0.000 0.235 251 S C 0.445 174.977 174.600 -0.114 0.000 0.988 251 S CA 0.796 58.882 58.200 -0.189 0.000 0.944 251 S CB -0.114 63.032 63.200 -0.089 0.000 0.762 251 S HN 0.493 nan 8.310 nan 0.000 0.526 252 N N 0.778 119.458 118.700 -0.034 0.000 2.687 252 N HA 0.272 5.013 4.740 0.002 0.000 0.275 252 N C -1.121 174.452 175.510 0.104 0.000 1.789 252 N CA -0.285 52.820 53.050 0.091 0.000 0.806 252 N CB 0.011 38.573 38.487 0.124 0.000 1.256 252 N HN 0.047 nan 8.380 nan 0.000 0.500 253 L N 0.805 122.106 121.223 0.130 0.000 2.514 253 L HA 0.248 4.590 4.340 0.002 0.000 0.280 253 L C -0.523 176.526 176.870 0.297 0.000 1.223 253 L CA 0.530 55.474 54.840 0.173 0.000 0.864 253 L CB 0.761 42.910 42.059 0.150 0.000 1.118 253 L HN 0.102 nan 8.230 nan 0.000 0.494 254 V N 5.741 125.794 119.914 0.230 0.000 2.419 254 V HA 0.331 4.452 4.120 0.002 0.000 0.287 254 V C -0.625 175.613 176.094 0.240 0.000 1.017 254 V CA -0.683 61.751 62.300 0.223 0.000 0.844 254 V CB 1.688 33.577 31.823 0.111 0.000 1.011 254 V HN 0.451 nan 8.190 nan 0.000 0.429 255 V N 7.477 127.617 119.914 0.377 0.000 2.347 255 V HA 0.404 4.525 4.120 0.002 0.000 0.280 255 V C -2.285 173.958 176.094 0.248 0.000 1.021 255 V CA -2.122 60.385 62.300 0.345 0.000 0.847 255 V CB 1.866 34.009 31.823 0.533 0.000 0.990 255 V HN 0.654 nan 8.190 nan 0.000 0.444 256 P HA 0.051 nan 4.420 nan 0.000 0.268 256 P C -0.206 177.183 177.300 0.148 0.000 1.205 256 P CA -0.063 63.111 63.100 0.124 0.000 0.771 256 P CB 0.380 32.135 31.700 0.093 0.000 0.858 257 N N 1.610 120.379 118.700 0.114 0.000 2.442 257 N HA 0.045 4.786 4.740 0.002 0.000 0.265 257 N C 0.587 176.152 175.510 0.091 0.000 1.138 257 N CA 0.100 53.207 53.050 0.096 0.000 0.956 257 N CB 0.506 39.014 38.487 0.036 0.000 1.067 257 N HN 0.397 nan 8.380 nan 0.000 0.474 258 T N -0.506 114.115 114.554 0.111 0.000 3.010 258 T HA 0.104 4.455 4.350 0.002 0.000 0.257 258 T C 0.698 175.401 174.700 0.006 0.000 1.020 258 T CA -0.186 61.950 62.100 0.059 0.000 0.938 258 T CB 0.136 69.044 68.868 0.067 0.000 1.049 258 T HN 0.116 nan 8.240 nan 0.000 0.522 259 V N 2.614 122.498 119.914 -0.050 0.000 2.585 259 V HA 0.293 4.414 4.120 0.002 0.000 0.296 259 V C 0.016 176.045 176.094 -0.108 0.000 1.035 259 V CA 0.075 62.258 62.300 -0.194 0.000 1.084 259 V CB 0.365 31.857 31.823 -0.551 0.000 0.953 259 V HN 0.413 nan 8.190 nan 0.000 0.483 260 K N 3.805 124.193 120.400 -0.021 0.000 2.427 260 K HA 0.402 4.723 4.320 0.002 0.000 0.252 260 K C -0.491 176.176 176.600 0.113 0.000 0.931 260 K CA -0.835 55.471 56.287 0.033 0.000 0.793 260 K CB 2.090 34.608 32.500 0.031 0.000 1.211 260 K HN 0.616 nan 8.250 nan 0.000 0.426 261 N N 0.023 118.781 118.700 0.096 0.000 2.347 261 N HA 0.015 4.756 4.740 0.002 0.000 0.253 261 N C 1.203 176.752 175.510 0.066 0.000 1.274 261 N CA 0.242 53.368 53.050 0.127 0.000 0.941 261 N CB 0.796 39.344 38.487 0.101 0.000 1.200 261 N HN 0.613 nan 8.380 nan 0.000 0.514 262 T N -2.172 112.411 114.554 0.047 0.000 2.803 262 T HA -0.232 4.119 4.350 0.002 0.000 0.269 262 T C 0.948 175.654 174.700 0.010 0.000 1.052 262 T CA 1.912 64.017 62.100 0.008 0.000 1.136 262 T CB -0.633 68.235 68.868 -0.000 0.000 0.864 262 T HN 0.768 nan 8.240 nan 0.000 0.467 263 D N 0.337 120.749 120.400 0.021 0.000 2.305 263 D HA 0.341 4.982 4.640 0.002 0.000 0.206 263 D C 1.704 178.014 176.300 0.017 0.000 0.974 263 D CA 0.635 54.645 54.000 0.016 0.000 0.871 263 D CB -0.366 40.446 40.800 0.020 0.000 0.947 263 D HN 0.584 nan 8.370 nan 0.000 0.516 264 G N -0.101 108.713 108.800 0.022 0.000 2.296 264 G HA2 -0.202 3.759 3.960 0.002 0.000 0.188 264 G HA3 -0.202 3.759 3.960 0.002 0.000 0.188 264 G C 0.319 175.234 174.900 0.025 0.000 1.000 264 G CA -0.006 45.106 45.100 0.021 0.000 0.672 264 G HN 0.724 nan 8.290 nan 0.000 0.483 265 S N 1.432 117.150 115.700 0.029 0.000 2.564 265 S HA 0.663 5.134 4.470 0.002 0.000 0.278 265 S C 0.733 175.351 174.600 0.030 0.000 1.333 265 S CA -0.657 57.561 58.200 0.031 0.000 1.048 265 S CB 1.220 64.441 63.200 0.034 0.000 0.900 265 S HN 0.611 nan 8.310 nan 0.000 0.505 266 L N 2.339 123.581 121.223 0.031 0.000 2.483 266 L HA 0.180 4.521 4.340 0.002 0.000 0.276 266 L C -0.158 176.713 176.870 0.002 0.000 1.213 266 L CA -0.529 54.322 54.840 0.019 0.000 0.843 266 L CB 0.151 42.244 42.059 0.056 0.000 1.107 266 L HN 0.505 nan 8.230 nan 0.000 0.487 267 V N 1.339 121.214 119.914 -0.065 0.000 2.333 267 V HA 0.101 4.223 4.120 0.002 0.000 0.274 267 V C 0.418 176.419 176.094 -0.156 0.000 1.028 267 V CA -0.764 61.488 62.300 -0.081 0.000 0.851 267 V CB 1.255 32.993 31.823 -0.140 0.000 1.000 267 V HN 0.904 nan 8.190 nan 0.000 0.456 268 T N 5.224 119.709 114.554 -0.115 0.000 2.822 268 T HA 0.122 4.473 4.350 0.002 0.000 0.288 268 T C -2.269 172.257 174.700 -0.290 0.000 0.991 268 T CA -0.853 61.084 62.100 -0.271 0.000 1.176 268 T CB 0.030 68.885 68.868 -0.022 0.000 0.951 268 T HN 0.418 nan 8.240 nan 0.000 0.526 269 P HA 0.158 nan 4.420 nan 0.000 0.268 269 P C 0.777 178.020 177.300 -0.095 0.000 1.205 269 P CA -0.325 62.612 63.100 -0.271 0.000 0.771 269 P CB 0.706 32.056 31.700 -0.583 0.000 0.858 270 E N 2.618 122.849 120.200 0.052 0.000 2.042 270 E HA 0.027 4.378 4.350 0.002 0.000 0.189 270 E C 0.133 176.749 176.600 0.027 0.000 0.974 270 E CA 0.813 57.240 56.400 0.045 0.000 0.806 270 E CB 0.214 29.965 29.700 0.084 0.000 0.769 270 E HN 0.368 nan 8.360 nan 0.000 0.451 271 I N 1.269 121.879 120.570 0.067 0.000 2.619 271 I HA 0.279 4.450 4.170 0.002 0.000 0.292 271 I C -1.265 174.924 176.117 0.120 0.000 1.100 271 I CA -0.882 60.457 61.300 0.065 0.000 1.043 271 I CB 2.119 40.156 38.000 0.062 0.000 1.239 271 I HN -0.005 nan 8.210 nan 0.000 0.420 272 I N 4.497 125.115 120.570 0.080 0.000 2.406 272 I HA 0.220 4.391 4.170 0.002 0.000 0.290 272 I C 0.509 176.732 176.117 0.178 0.000 0.999 272 I CA -0.208 61.165 61.300 0.122 0.000 1.124 272 I CB 1.978 39.915 38.000 -0.105 0.000 1.289 272 I HN 0.559 nan 8.210 nan 0.000 0.441 273 S N 4.247 120.146 115.700 0.331 0.000 2.579 273 S HA 0.178 4.649 4.470 0.002 0.000 0.275 273 S C 0.154 174.996 174.600 0.402 0.000 1.345 273 S CA -0.323 58.061 58.200 0.308 0.000 1.031 273 S CB 0.408 63.768 63.200 0.266 0.000 0.892 273 S HN 0.774 nan 8.310 nan 0.000 0.529 274 D N 1.168 121.719 120.400 0.252 0.000 2.699 274 D HA -0.127 4.514 4.640 0.002 0.000 0.239 274 D C -0.831 175.625 176.300 0.259 0.000 1.136 274 D CA 1.140 55.290 54.000 0.251 0.000 0.668 274 D CB -1.804 39.166 40.800 0.284 0.000 1.060 274 D HN 0.871 nan 8.370 nan 0.000 0.429 275 D N -1.198 119.292 120.400 0.150 0.000 2.737 275 D HA -0.154 4.487 4.640 0.002 0.000 0.238 275 D C 0.912 177.230 176.300 0.030 0.000 1.157 275 D CA 1.668 55.718 54.000 0.083 0.000 0.694 275 D CB -1.241 39.612 40.800 0.090 0.000 1.021 275 D HN 0.581 nan 8.370 nan 0.000 0.420 276 G N -0.079 108.668 108.800 -0.089 0.000 2.511 276 G HA2 0.563 4.524 3.960 0.002 0.000 0.316 276 G HA3 0.563 4.524 3.960 0.002 0.000 0.316 276 G C -0.338 174.381 174.900 -0.302 0.000 1.210 276 G CA -0.393 44.462 45.100 -0.409 0.000 0.969 276 G HN 0.035 nan 8.290 nan 0.000 0.492 277 D N -1.597 118.587 120.400 -0.360 0.000 2.581 277 D HA 0.291 4.933 4.640 0.002 0.000 0.232 277 D C -1.594 174.594 176.300 -0.187 0.000 1.143 277 D CA -0.309 53.569 54.000 -0.204 0.000 0.881 277 D CB 2.398 43.114 40.800 -0.140 0.000 1.500 277 D HN 0.254 nan 8.370 nan 0.000 0.458 278 Y N 1.196 121.347 120.300 -0.248 0.000 2.575 278 Y HA 0.305 4.856 4.550 0.002 0.000 0.326 278 Y C -0.374 175.426 175.900 -0.166 0.000 0.979 278 Y CA -0.804 57.149 58.100 -0.245 0.000 1.286 278 Y CB 0.824 39.138 38.460 -0.243 0.000 1.093 278 Y HN 0.142 nan 8.280 nan 0.000 0.501 279 E N 5.492 125.456 120.200 -0.394 0.000 2.127 279 E HA 0.148 4.499 4.350 0.002 0.000 0.262 279 E C -0.218 176.024 176.600 -0.597 0.000 1.144 279 E CA -0.345 55.803 56.400 -0.420 0.000 1.144 279 E CB -0.184 29.380 29.700 -0.227 0.000 1.297 279 E HN 0.541 nan 8.360 nan 0.000 0.469 280 K N 3.143 122.855 120.400 -1.147 0.000 2.526 280 K HA -0.130 4.191 4.320 0.002 0.000 0.267 280 K C -1.527 174.855 176.600 -0.363 0.000 1.009 280 K CA 0.149 55.874 56.287 -0.936 0.000 1.120 280 K CB 0.528 32.630 32.500 -0.662 0.000 0.797 280 K HN 0.272 nan 8.250 nan 0.000 0.476 281 P HA 0.103 nan 4.420 nan 0.000 0.254 281 P C -1.070 176.229 177.300 -0.003 0.000 1.494 281 P CA -0.130 62.925 63.100 -0.075 0.000 0.961 281 P CB 0.248 31.948 31.700 0.001 0.000 1.493 282 N N 0.007 118.625 118.700 -0.138 0.000 2.456 282 N HA 0.286 5.027 4.740 0.002 0.000 0.296 282 N C -0.588 174.908 175.510 -0.025 0.000 1.102 282 N CA -0.630 52.392 53.050 -0.046 0.000 0.924 282 N CB 1.924 40.372 38.487 -0.066 0.000 1.186 282 N HN -0.213 nan 8.380 nan 0.000 0.492 283 V N 1.666 121.570 119.914 -0.017 0.000 2.435 283 V HA 0.445 4.567 4.120 0.002 0.000 0.290 283 V C 0.094 176.043 176.094 -0.242 0.000 1.030 283 V CA -0.594 61.575 62.300 -0.219 0.000 0.881 283 V CB 1.180 32.783 31.823 -0.366 0.000 0.983 283 V HN 0.472 nan 8.190 nan 0.000 0.445 284 K N 4.028 124.179 120.400 -0.415 0.000 2.371 284 K HA 0.595 4.916 4.320 0.002 0.000 0.251 284 K C -1.408 175.007 176.600 -0.308 0.000 0.934 284 K CA -0.574 55.605 56.287 -0.180 0.000 0.798 284 K CB 2.580 35.030 32.500 -0.083 0.000 1.204 284 K HN 0.583 nan 8.250 nan 0.000 0.427 285 W N 0.505 121.849 121.300 0.074 0.000 2.902 285 W HA 0.230 4.891 4.660 0.002 0.000 0.346 285 W C -0.498 176.100 176.519 0.132 0.000 1.139 285 W CA -0.592 56.810 57.345 0.096 0.000 1.139 285 W CB 1.905 31.419 29.460 0.089 0.000 1.439 285 W HN 0.625 nan 8.180 nan 0.000 0.558 286 H N 1.678 120.920 119.070 0.286 0.000 2.708 286 H HA 0.431 4.988 4.556 0.002 0.000 0.320 286 H C -1.223 174.223 175.328 0.197 0.000 0.991 286 H CA -0.360 55.800 56.048 0.186 0.000 1.243 286 H CB 0.580 30.411 29.762 0.115 0.000 1.446 286 H HN 0.046 nan 8.280 nan 0.000 0.502 287 L N 8.626 129.726 121.223 -0.204 0.000 2.599 287 L HA 0.328 4.669 4.340 0.002 0.000 0.241 287 L C -1.830 174.986 176.870 -0.090 0.000 1.207 287 L CA -2.243 52.581 54.840 -0.028 0.000 0.987 287 L CB 0.979 43.180 42.059 0.238 0.000 1.318 287 L HN 0.650 nan 8.230 nan 0.000 0.458 288 P HA -0.087 nan 4.420 nan 0.000 0.221 288 P C 0.158 177.477 177.300 0.033 0.000 1.145 288 P CA 1.224 64.261 63.100 -0.104 0.000 0.795 288 P CB 0.496 32.202 31.700 0.011 0.000 0.775 289 E N -1.453 118.774 120.200 0.045 0.000 2.299 289 E HA 0.299 4.650 4.350 0.002 0.000 0.265 289 E C -0.846 175.749 176.600 -0.009 0.000 0.911 289 E CA -1.130 55.295 56.400 0.042 0.000 0.789 289 E CB 1.316 31.024 29.700 0.012 0.000 1.246 289 E HN -0.105 nan 8.360 nan 0.000 0.427 290 F N 1.255 121.041 119.950 -0.273 0.000 2.427 290 F HA 0.341 4.869 4.527 0.002 0.000 0.352 290 F C -0.053 175.533 175.800 -0.357 0.000 1.100 290 F CA 0.105 57.737 58.000 -0.614 0.000 1.191 290 F CB 1.068 39.747 39.000 -0.535 0.000 1.128 290 F HN 0.153 nan 8.300 nan 0.000 0.533 291 T N 5.075 118.975 114.554 -1.089 0.000 2.900 291 T HA 0.221 4.572 4.350 0.002 0.000 0.295 291 T C 0.787 174.867 174.700 -1.034 0.000 1.044 291 T CA -0.657 60.878 62.100 -0.942 0.000 0.995 291 T CB 1.213 69.826 68.868 -0.426 0.000 1.072 291 T HN 0.681 nan 8.240 nan 0.000 0.473 292 N N 2.069 120.314 118.700 -0.758 0.000 2.192 292 N HA -0.042 4.699 4.740 0.002 0.000 0.188 292 N C 0.233 175.595 175.510 -0.246 0.000 1.013 292 N CA 1.532 54.323 53.050 -0.433 0.000 0.863 292 N CB -0.001 38.337 38.487 -0.248 0.000 0.990 292 N HN 0.875 nan 8.380 nan 0.000 0.430 293 E N -3.160 116.886 120.200 -0.256 0.000 2.417 293 E HA 0.440 4.791 4.350 0.002 0.000 0.280 293 E C -1.225 175.226 176.600 -0.248 0.000 1.112 293 E CA -0.981 55.294 56.400 -0.207 0.000 0.863 293 E CB 1.327 30.939 29.700 -0.148 0.000 1.346 293 E HN -0.135 nan 8.360 nan 0.000 0.443 294 V N -1.801 117.925 119.914 -0.313 0.000 3.156 294 V HA 1.002 5.123 4.120 0.002 0.000 0.311 294 V C -0.623 175.400 176.094 -0.117 0.000 1.208 294 V CA -0.118 61.980 62.300 -0.335 0.000 1.063 294 V CB 1.351 32.532 31.823 -1.070 0.000 1.098 294 V HN 1.394 nan 8.190 nan 0.000 0.452 295 S N 0.095 115.903 115.700 0.179 0.000 2.686 295 S HA 0.752 5.223 4.470 0.002 0.000 0.273 295 S C -1.287 173.545 174.600 0.386 0.000 1.060 295 S CA -0.475 57.831 58.200 0.176 0.000 0.845 295 S CB 1.044 64.244 63.200 0.000 0.000 1.086 295 S HN 2.391 nan 8.310 nan 0.000 0.461 296 F N -0.543 119.522 119.950 0.191 0.000 2.604 296 F HA 0.841 5.369 4.527 0.002 0.000 0.316 296 F C -1.535 174.315 175.800 0.083 0.000 1.136 296 F CA -1.276 56.801 58.000 0.129 0.000 0.989 296 F CB 0.359 39.421 39.000 0.105 0.000 1.258 296 F HN 0.490 nan 8.300 nan 0.000 0.451 297 I N 4.568 125.240 120.570 0.169 0.000 2.519 297 I HA 0.434 4.605 4.170 0.002 0.000 0.287 297 I C -0.145 176.081 176.117 0.181 0.000 1.047 297 I CA -0.495 60.823 61.300 0.030 0.000 1.381 297 I CB 0.647 38.649 38.000 0.004 0.000 1.417 297 I HN 0.637 nan 8.210 nan 0.000 0.540 298 F N 4.817 124.751 119.950 -0.026 0.000 2.593 298 F HA 0.723 5.251 4.527 0.002 0.000 0.320 298 F C -1.345 174.481 175.800 0.043 0.000 1.060 298 F CA -1.394 56.601 58.000 -0.008 0.000 0.940 298 F CB 1.299 40.242 39.000 -0.096 0.000 1.268 298 F HN 0.384 nan 8.300 nan 0.000 0.475 299 Y N 1.970 122.306 120.300 0.059 0.000 2.330 299 Y HA 0.498 5.049 4.550 0.002 0.000 0.324 299 Y C -1.512 174.443 175.900 0.091 0.000 1.093 299 Y CA -0.559 57.552 58.100 0.018 0.000 1.103 299 Y CB 1.594 40.058 38.460 0.007 0.000 1.183 299 Y HN 0.828 nan 8.280 nan 0.000 0.433 300 Q N 8.648 128.388 119.800 -0.101 0.000 2.589 300 Q HA 0.478 4.819 4.340 0.002 0.000 0.245 300 Q C -3.028 172.971 176.000 -0.000 0.000 0.931 300 Q CA -2.451 53.382 55.803 0.050 0.000 0.730 300 Q CB 1.941 30.751 28.738 0.120 0.000 1.315 300 Q HN 0.355 nan 8.270 nan 0.000 0.469 301 P HA 0.051 nan 4.420 nan 0.000 0.267 301 P C -0.813 176.533 177.300 0.077 0.000 1.209 301 P CA -0.010 63.115 63.100 0.042 0.000 0.763 301 P CB 0.646 32.413 31.700 0.113 0.000 0.816 302 V N 1.033 120.990 119.914 0.073 0.000 3.113 302 V HA 0.860 4.981 4.120 0.002 0.000 0.316 302 V C -0.448 175.670 176.094 0.040 0.000 1.125 302 V CA -0.595 61.747 62.300 0.070 0.000 1.026 302 V CB 2.257 34.129 31.823 0.083 0.000 1.080 302 V HN 0.371 nan 8.190 nan 0.000 0.444 303 T N 3.182 117.754 114.554 0.029 0.000 3.011 303 T HA 0.658 5.009 4.350 0.002 0.000 0.303 303 T C -0.746 173.955 174.700 0.003 0.000 0.997 303 T CA -0.093 62.015 62.100 0.013 0.000 1.007 303 T CB 0.959 69.838 68.868 0.017 0.000 1.017 303 T HN 0.701 nan 8.240 nan 0.000 0.443 304 I N 2.788 123.352 120.570 -0.010 0.000 2.439 304 I HA 0.527 4.698 4.170 0.002 0.000 0.285 304 I C 1.197 177.303 176.117 -0.018 0.000 1.021 304 I CA -0.593 60.696 61.300 -0.018 0.000 1.091 304 I CB 1.300 39.281 38.000 -0.031 0.000 1.242 304 I HN 0.899 nan 8.210 nan 0.000 0.439 305 G N 6.693 115.485 108.800 -0.013 0.000 2.677 305 G HA2 -0.363 3.598 3.960 0.002 0.000 0.321 305 G HA3 -0.363 3.598 3.960 0.002 0.000 0.321 305 G C 0.656 175.551 174.900 -0.008 0.000 1.181 305 G CA 0.684 45.777 45.100 -0.011 0.000 0.965 305 G HN 0.663 nan 8.290 nan 0.000 0.548 306 K N 1.332 121.725 120.400 -0.012 0.000 2.387 306 K HA 0.633 4.955 4.320 0.002 0.000 0.203 306 K C 0.578 177.170 176.600 -0.013 0.000 1.030 306 K CA 0.495 56.777 56.287 -0.009 0.000 1.099 306 K CB 1.249 33.745 32.500 -0.007 0.000 0.863 306 K HN 0.707 nan 8.250 nan 0.000 0.529 307 A N 1.675 124.483 122.820 -0.021 0.000 2.290 307 A HA 0.394 4.715 4.320 0.002 0.000 0.310 307 A C -0.731 176.840 177.584 -0.022 0.000 1.202 307 A CA -0.489 51.529 52.037 -0.032 0.000 0.837 307 A CB 0.448 19.416 19.000 -0.053 0.000 1.139 307 A HN 0.092 nan 8.150 nan 0.000 0.509 308 K N 1.748 122.137 120.400 -0.019 0.000 2.389 308 K HA 0.585 4.906 4.320 0.002 0.000 0.261 308 K C -0.299 176.297 176.600 -0.007 0.000 1.014 308 K CA -0.074 56.211 56.287 -0.004 0.000 0.920 308 K CB 1.757 34.260 32.500 0.005 0.000 1.149 308 K HN 0.797 nan 8.250 nan 0.000 0.444 309 A N 3.077 125.899 122.820 0.003 0.000 2.389 309 A HA 0.690 5.012 4.320 0.002 0.000 0.293 309 A C -0.860 176.749 177.584 0.041 0.000 1.186 309 A CA -0.977 51.068 52.037 0.014 0.000 0.828 309 A CB 1.091 20.092 19.000 0.002 0.000 1.369 309 A HN 0.694 nan 8.150 nan 0.000 0.446 310 R N 0.365 120.909 120.500 0.072 0.000 2.412 310 R HA 0.295 4.636 4.340 0.002 0.000 0.304 310 R C -1.591 174.789 176.300 0.132 0.000 1.066 310 R CA -0.386 55.722 56.100 0.013 0.000 0.923 310 R CB 1.315 31.590 30.300 -0.043 0.000 1.156 310 R HN 0.536 nan 8.270 nan 0.000 0.513 311 F N 5.596 125.519 119.950 -0.045 0.000 2.471 311 F HA 0.199 4.728 4.527 0.002 0.000 0.365 311 F C -0.059 175.746 175.800 0.009 0.000 1.095 311 F CA -0.241 57.791 58.000 0.053 0.000 1.174 311 F CB 0.017 39.090 39.000 0.121 0.000 1.105 311 F HN 0.481 nan 8.300 nan 0.000 0.535 312 H N 4.043 122.951 119.070 -0.270 0.000 3.046 312 H HA 0.622 5.179 4.556 0.002 0.000 0.361 312 H C -0.905 173.723 175.328 -1.166 0.000 1.235 312 H CA -0.072 55.373 56.048 -1.004 0.000 1.146 312 H CB 1.721 30.921 29.762 -0.937 0.000 1.859 312 H HN 0.857 nan 8.280 nan 0.000 0.548 313 G N 2.121 109.370 108.800 -2.584 0.000 2.317 313 G HA2 0.265 4.226 3.960 0.002 0.000 0.293 313 G HA3 0.265 4.226 3.960 0.002 0.000 0.293 313 G C -1.883 172.403 174.900 -1.025 0.000 1.287 313 G CA -0.933 43.221 45.100 -1.577 0.000 0.850 313 G HN 0.715 nan 8.290 nan 0.000 0.515 314 R N -0.221 120.025 120.500 -0.423 0.000 2.532 314 R HA 0.654 4.995 4.340 0.002 0.000 0.297 314 R C -1.315 174.854 176.300 -0.218 0.000 0.984 314 R CA -0.547 55.397 56.100 -0.260 0.000 0.884 314 R CB 2.012 32.184 30.300 -0.213 0.000 1.182 314 R HN 0.445 nan 8.270 nan 0.000 0.442 315 V N 3.864 123.530 119.914 -0.413 0.000 2.465 315 V HA 0.353 4.474 4.120 0.002 0.000 0.279 315 V C -0.139 175.735 176.094 -0.366 0.000 1.045 315 V CA -0.255 61.759 62.300 -0.477 0.000 0.938 315 V CB 1.685 32.984 31.823 -0.873 0.000 0.986 315 V HN 0.831 nan 8.190 nan 0.000 0.467 316 T N 4.672 119.098 114.554 -0.213 0.000 2.792 316 T HA 0.423 4.774 4.350 0.002 0.000 0.280 316 T C -0.505 174.128 174.700 -0.111 0.000 0.990 316 T CA -0.407 61.606 62.100 -0.146 0.000 0.960 316 T CB 1.453 70.246 68.868 -0.125 0.000 0.939 316 T HN 0.602 nan 8.240 nan 0.000 0.439 317 Q N 3.953 123.689 119.800 -0.107 0.000 2.456 317 Q HA 0.392 4.733 4.340 0.002 0.000 0.252 317 Q C -2.777 173.159 176.000 -0.106 0.000 1.042 317 Q CA -2.334 53.412 55.803 -0.096 0.000 0.766 317 Q CB 0.927 29.597 28.738 -0.114 0.000 1.196 317 Q HN 0.243 nan 8.270 nan 0.000 0.504 318 P HA 0.128 nan 4.420 nan 0.000 0.269 318 P C -0.936 176.357 177.300 -0.012 0.000 1.209 318 P CA 0.164 63.237 63.100 -0.045 0.000 0.776 318 P CB 0.645 32.329 31.700 -0.028 0.000 0.876 319 L N 2.219 123.464 121.223 0.036 0.000 2.409 319 L HA 0.630 4.971 4.340 0.002 0.000 0.262 319 L C 0.271 177.298 176.870 0.262 0.000 0.992 319 L CA -0.794 54.134 54.840 0.148 0.000 0.817 319 L CB 2.219 44.399 42.059 0.202 0.000 1.350 319 L HN 0.429 nan 8.230 nan 0.000 0.411 320 K N 0.000 120.512 120.400 0.187 0.000 2.780 320 K HA 0.000 4.321 4.320 0.002 0.000 0.191 320 K CA 0.000 56.314 56.287 0.045 0.000 0.838 320 K CB 0.000 32.512 32.500 0.021 0.000 1.064 320 K HN 0.000 nan 8.250 nan 0.000 0.543