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 3hrv_1_B DATA FIRST_RESID 30 DATA SEQUENCE SQNMTKAAQN LNSVQIAMTQ TYRSLGNYPA TANANAATQL ANGLVSLGKV DATA SEQUENCE SADEAKNPFT GTAMGIFSFP RNSAANKAFA ITVGGLTQAQ cKTLVTSVGD DATA SEQUENCE MFPFINVKEG AFAAVADLGD FETSVADAAT GAGVIKSIAP GSANLNLTNI DATA SEQUENCE THVEKLcTGT APFTVAFGNS 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.608 174.600 0.014 0.000 1.055 30 S CA 0.000 58.222 58.200 0.036 0.000 1.107 30 S CB 0.000 63.218 63.200 0.030 0.000 0.593 31 Q N 2.612 122.410 119.800 -0.003 0.000 2.123 31 Q HA 0.216 4.555 4.340 -0.000 0.000 0.199 31 Q C 1.546 177.505 176.000 -0.067 0.000 0.966 31 Q CA 1.944 57.731 55.803 -0.026 0.000 0.845 31 Q CB -0.575 28.145 28.738 -0.029 0.000 0.907 31 Q HN 0.691 nan 8.270 nan 0.000 0.439 32 N N -0.589 118.045 118.700 -0.109 0.000 2.244 32 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 32 N C 1.455 176.793 175.510 -0.286 0.000 1.016 32 N CA 0.864 53.737 53.050 -0.295 0.000 0.866 32 N CB -0.169 38.054 38.487 -0.440 0.000 0.980 32 N HN 0.223 nan 8.380 nan 0.000 0.430 33 M N 0.782 120.374 119.600 -0.013 0.000 2.175 33 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 33 M C 1.704 178.045 176.300 0.068 0.000 1.063 33 M CA 1.425 56.822 55.300 0.162 0.000 1.119 33 M CB -0.722 31.993 32.600 0.192 0.000 1.377 33 M HN -0.029 nan 8.290 nan 0.000 0.415 34 T N -0.387 114.177 114.554 0.017 0.000 2.777 34 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 34 T C 1.770 176.462 174.700 -0.013 0.000 1.040 34 T CA 1.510 63.614 62.100 0.008 0.000 1.141 34 T CB -0.191 68.677 68.868 0.001 0.000 0.868 34 T HN 0.188 nan 8.240 nan 0.000 0.444 35 K N 1.955 122.324 120.400 -0.051 0.000 2.097 35 K HA 0.155 4.475 4.320 -0.000 0.000 0.205 35 K C 2.225 178.792 176.600 -0.054 0.000 1.050 35 K CA 1.292 57.541 56.287 -0.063 0.000 0.938 35 K CB -0.805 31.632 32.500 -0.105 0.000 0.718 35 K HN 0.246 nan 8.250 nan 0.000 0.442 36 A N 0.588 123.367 122.820 -0.069 0.000 1.877 36 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 36 A C 2.395 180.000 177.584 0.034 0.000 1.186 36 A CA 2.170 54.212 52.037 0.009 0.000 0.620 36 A CB -1.151 17.949 19.000 0.167 0.000 0.822 36 A HN 0.404 nan 8.150 nan 0.000 0.443 37 A N -0.842 121.997 122.820 0.032 0.000 1.933 37 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 37 A C 2.138 179.737 177.584 0.026 0.000 1.175 37 A CA 1.709 53.760 52.037 0.022 0.000 0.628 37 A CB -0.546 18.470 19.000 0.026 0.000 0.814 37 A HN 0.676 nan 8.150 nan 0.000 0.444 38 Q N -0.585 119.226 119.800 0.018 0.000 2.083 38 Q HA -0.144 4.196 4.340 -0.000 0.000 0.198 38 Q C 1.869 177.888 176.000 0.031 0.000 0.969 38 Q CA 1.370 57.184 55.803 0.018 0.000 0.838 38 Q CB -0.218 28.524 28.738 0.006 0.000 0.900 38 Q HN 0.625 nan 8.270 nan 0.000 0.436 39 N N 0.836 119.554 118.700 0.030 0.000 2.120 39 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 39 N C 1.782 177.343 175.510 0.084 0.000 1.024 39 N CA 0.976 54.053 53.050 0.045 0.000 0.852 39 N CB -0.290 38.217 38.487 0.034 0.000 1.003 39 N HN 0.165 nan 8.380 nan 0.000 0.424 40 L N 0.523 121.803 121.223 0.096 0.000 2.083 40 L HA -0.180 4.159 4.340 -0.000 0.000 0.209 40 L C 2.056 179.077 176.870 0.251 0.000 1.083 40 L CA 1.107 56.054 54.840 0.179 0.000 0.752 40 L CB -0.416 41.709 42.059 0.111 0.000 0.899 40 L HN 0.220 nan 8.230 nan 0.000 0.433 41 N N -0.794 117.989 118.700 0.138 0.000 2.142 41 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 41 N C 2.045 177.603 175.510 0.080 0.000 1.023 41 N CA 1.455 54.549 53.050 0.074 0.000 0.852 41 N CB -0.023 38.475 38.487 0.019 0.000 0.998 41 N HN 0.144 nan 8.380 nan 0.000 0.424 42 S N -0.881 114.862 115.700 0.073 0.000 2.356 42 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 42 S C 1.889 176.536 174.600 0.078 0.000 1.032 42 S CA 1.415 59.651 58.200 0.059 0.000 1.005 42 S CB -0.554 62.672 63.200 0.043 0.000 0.867 42 S HN 0.195 nan 8.310 nan 0.000 0.449 43 V N 2.888 122.868 119.914 0.110 0.000 2.358 43 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 43 V C 2.750 178.934 176.094 0.150 0.000 1.047 43 V CA 2.176 64.548 62.300 0.119 0.000 1.035 43 V CB -1.069 30.840 31.823 0.144 0.000 0.658 43 V HN 0.795 nan 8.190 nan 0.000 0.452 44 Q N 0.032 119.994 119.800 0.270 0.000 2.167 44 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 44 Q C 2.107 178.243 176.000 0.226 0.000 0.970 44 Q CA 1.989 58.030 55.803 0.398 0.000 0.855 44 Q CB -0.378 28.678 28.738 0.530 0.000 0.911 44 Q HN 0.574 nan 8.270 nan 0.000 0.438 45 I N 1.177 121.826 120.570 0.131 0.000 2.252 45 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 45 I C 2.524 178.674 176.117 0.055 0.000 1.102 45 I CA 0.918 62.267 61.300 0.082 0.000 1.385 45 I CB -0.387 37.642 38.000 0.048 0.000 1.064 45 I HN 0.416 nan 8.210 nan 0.000 0.414 46 A N 0.566 123.409 122.820 0.039 0.000 1.902 46 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 46 A C 2.335 179.918 177.584 -0.001 0.000 1.181 46 A CA 1.360 53.404 52.037 0.011 0.000 0.623 46 A CB -0.395 18.614 19.000 0.015 0.000 0.818 46 A HN 0.249 nan 8.150 nan 0.000 0.443 47 M N 0.302 119.871 119.600 -0.052 0.000 2.086 47 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 47 M C 2.493 178.841 176.300 0.081 0.000 1.067 47 M CA 2.295 57.515 55.300 -0.133 0.000 1.116 47 M CB -1.849 30.183 32.600 -0.945 0.000 1.348 47 M HN 0.730 nan 8.290 nan 0.000 0.407 48 T N -1.479 113.139 114.554 0.106 0.000 2.708 48 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 48 T C 1.824 176.596 174.700 0.121 0.000 1.037 48 T CA 1.282 63.531 62.100 0.247 0.000 1.146 48 T CB -0.546 68.476 68.868 0.256 0.000 0.865 48 T HN 0.431 nan 8.240 nan 0.000 0.435 49 Q N 0.499 120.331 119.800 0.053 0.000 2.170 49 Q HA -0.063 4.277 4.340 -0.000 0.000 0.203 49 Q C 2.482 178.435 176.000 -0.079 0.000 0.976 49 Q CA 1.781 57.580 55.803 -0.006 0.000 0.858 49 Q CB -0.331 28.399 28.738 -0.013 0.000 0.907 49 Q HN 0.583 nan 8.270 nan 0.000 0.433 50 T N -0.902 113.575 114.554 -0.129 0.000 2.978 50 T HA -0.047 4.303 4.350 -0.000 0.000 0.262 50 T C 0.760 175.100 174.700 -0.600 0.000 1.063 50 T CA 0.947 62.820 62.100 -0.378 0.000 1.140 50 T CB 0.016 68.584 68.868 -0.500 0.000 0.886 50 T HN 0.327 nan 8.240 nan 0.000 0.470 51 Y N -0.223 120.008 120.300 -0.115 0.000 2.430 51 Y HA 0.390 4.940 4.550 -0.000 0.000 0.254 51 Y C 2.339 178.024 175.900 -0.358 0.000 1.088 51 Y CA -0.718 57.215 58.100 -0.280 0.000 1.267 51 Y CB 0.223 38.396 38.460 -0.479 0.000 1.204 51 Y HN -0.122 nan 8.280 nan 0.000 0.515 52 R N 0.353 120.805 120.500 -0.080 0.000 2.139 52 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 52 R C 2.079 178.336 176.300 -0.072 0.000 1.145 52 R CA 1.800 57.867 56.100 -0.056 0.000 0.976 52 R CB -0.332 29.999 30.300 0.052 0.000 0.866 52 R HN 0.374 nan 8.270 nan 0.000 0.449 53 S N -0.390 115.265 115.700 -0.076 0.000 2.528 53 S HA 0.074 4.544 4.470 -0.000 0.000 0.219 53 S C 1.766 176.321 174.600 -0.074 0.000 0.985 53 S CA 0.127 58.287 58.200 -0.066 0.000 0.914 53 S CB 0.072 63.234 63.200 -0.064 0.000 0.776 53 S HN 0.215 nan 8.310 nan 0.000 0.526 54 L N 0.703 121.871 121.223 -0.091 0.000 2.567 54 L HA 0.350 4.690 4.340 -0.000 0.000 0.225 54 L C 2.109 178.935 176.870 -0.074 0.000 1.119 54 L CA 0.480 55.280 54.840 -0.067 0.000 0.871 54 L CB -0.524 41.520 42.059 -0.026 0.000 1.036 54 L HN 0.589 nan 8.230 nan 0.000 0.459 55 G N 0.136 108.869 108.800 -0.112 0.000 2.284 55 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.247 55 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.247 55 G C 0.282 175.094 174.900 -0.147 0.000 1.012 55 G CA 0.080 45.117 45.100 -0.106 0.000 0.618 55 G HN 0.398 nan 8.290 nan 0.000 0.521 56 N N -1.042 117.536 118.700 -0.204 0.000 2.455 56 N HA 0.613 5.353 4.740 -0.000 0.000 0.278 56 N C -1.409 173.853 175.510 -0.414 0.000 1.291 56 N CA -0.496 52.425 53.050 -0.216 0.000 0.780 56 N CB 1.450 39.887 38.487 -0.084 0.000 1.520 56 N HN 0.111 nan 8.380 nan 0.000 0.486 57 Y N 0.064 120.282 120.300 -0.137 0.000 2.457 57 Y HA 0.404 4.954 4.550 -0.000 0.000 0.333 57 Y C -1.843 173.857 175.900 -0.333 0.000 1.119 57 Y CA -1.880 55.995 58.100 -0.375 0.000 1.143 57 Y CB 0.762 39.077 38.460 -0.243 0.000 1.230 57 Y HN 0.283 nan 8.280 nan 0.000 0.469 58 P HA 0.051 nan 4.420 nan 0.000 0.263 58 P C -0.884 176.379 177.300 -0.062 0.000 1.195 58 P CA 0.001 62.995 63.100 -0.176 0.000 0.762 58 P CB 0.361 31.936 31.700 -0.210 0.000 0.799 59 A N 3.668 126.475 122.820 -0.022 0.000 2.511 59 A HA 0.422 4.741 4.320 -0.000 0.000 0.242 59 A C 0.469 178.055 177.584 0.004 0.000 1.069 59 A CA 0.502 52.547 52.037 0.013 0.000 0.763 59 A CB -0.477 18.534 19.000 0.018 0.000 1.001 59 A HN 0.588 nan 8.150 nan 0.000 0.498 60 T N -0.302 114.272 114.554 0.033 0.000 3.066 60 T HA 0.581 4.931 4.350 -0.000 0.000 0.318 60 T C 0.525 175.272 174.700 0.078 0.000 0.979 60 T CA 0.016 62.113 62.100 -0.005 0.000 1.025 60 T CB 1.130 69.934 68.868 -0.106 0.000 1.002 60 T HN 1.185 nan 8.240 nan 0.000 0.453 61 A N 3.711 126.567 122.820 0.059 0.000 1.930 61 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 61 A C 1.124 178.810 177.584 0.170 0.000 1.175 61 A CA 1.411 53.509 52.037 0.101 0.000 0.627 61 A CB -0.591 18.447 19.000 0.063 0.000 0.815 61 A HN 1.012 nan 8.150 nan 0.000 0.443 62 N N -4.418 114.364 118.700 0.137 0.000 3.364 62 N HA 0.490 5.230 4.740 -0.000 0.000 0.294 62 N C 0.604 176.145 175.510 0.052 0.000 1.562 62 N CA 0.118 53.318 53.050 0.249 0.000 0.862 62 N CB 0.299 38.882 38.487 0.160 0.000 1.691 62 N HN 0.127 nan 8.380 nan 0.000 0.572 63 A N 0.292 123.234 122.820 0.204 0.000 1.903 63 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 63 A C 1.784 179.308 177.584 -0.099 0.000 1.191 63 A CA 2.160 54.240 52.037 0.071 0.000 0.638 63 A CB -1.364 17.757 19.000 0.202 0.000 0.823 63 A HN 0.802 nan 8.150 nan 0.000 0.451 64 N N 0.154 118.834 118.700 -0.034 0.000 2.104 64 N HA -0.181 4.558 4.740 -0.000 0.000 0.190 64 N C 1.901 177.355 175.510 -0.092 0.000 1.024 64 N CA 1.673 54.697 53.050 -0.044 0.000 0.853 64 N CB -0.234 38.245 38.487 -0.014 0.000 1.008 64 N HN 0.418 nan 8.380 nan 0.000 0.424 65 A N 0.675 123.423 122.820 -0.121 0.000 1.969 65 A HA 0.113 4.432 4.320 -0.000 0.000 0.218 65 A C 2.372 179.816 177.584 -0.233 0.000 1.169 65 A CA 1.474 53.428 52.037 -0.137 0.000 0.635 65 A CB -0.659 18.279 19.000 -0.104 0.000 0.810 65 A HN 0.483 nan 8.150 nan 0.000 0.445 66 A N -0.811 121.746 122.820 -0.439 0.000 1.877 66 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 66 A C 2.296 179.720 177.584 -0.266 0.000 1.186 66 A CA 2.277 53.970 52.037 -0.573 0.000 0.620 66 A CB -1.262 16.994 19.000 -1.239 0.000 0.822 66 A HN 0.399 nan 8.150 nan 0.000 0.443 67 T N -0.449 113.995 114.554 -0.183 0.000 2.788 67 T HA -0.174 4.175 4.350 -0.000 0.000 0.268 67 T C 2.059 176.722 174.700 -0.062 0.000 1.044 67 T CA 1.559 63.611 62.100 -0.081 0.000 1.139 67 T CB -0.228 68.615 68.868 -0.042 0.000 0.867 67 T HN 0.664 nan 8.240 nan 0.000 0.454 68 Q N 0.194 119.950 119.800 -0.073 0.000 2.124 68 Q HA -0.114 4.225 4.340 -0.000 0.000 0.202 68 Q C 2.285 178.259 176.000 -0.043 0.000 0.977 68 Q CA 1.120 56.894 55.803 -0.048 0.000 0.850 68 Q CB -0.223 28.486 28.738 -0.048 0.000 0.901 68 Q HN 0.402 nan 8.270 nan 0.000 0.429 69 L N 0.547 121.730 121.223 -0.067 0.000 2.093 69 L HA 0.001 4.340 4.340 -0.000 0.000 0.208 69 L C 2.184 179.041 176.870 -0.022 0.000 1.085 69 L CA 2.066 56.877 54.840 -0.049 0.000 0.755 69 L CB -0.896 41.114 42.059 -0.082 0.000 0.904 69 L HN 0.235 nan 8.230 nan 0.000 0.435 70 A N -0.243 122.560 122.820 -0.029 0.000 1.877 70 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 70 A C 2.074 179.663 177.584 0.008 0.000 1.186 70 A CA 1.882 53.919 52.037 -0.001 0.000 0.620 70 A CB -0.767 18.235 19.000 0.005 0.000 0.822 70 A HN 0.613 nan 8.150 nan 0.000 0.443 71 N N -0.001 118.699 118.700 0.000 0.000 2.331 71 N HA -0.088 4.651 4.740 -0.000 0.000 0.180 71 N C 1.794 177.309 175.510 0.008 0.000 1.019 71 N CA 1.240 54.293 53.050 0.005 0.000 0.881 71 N CB -0.543 37.944 38.487 0.000 0.000 0.972 71 N HN 0.500 nan 8.380 nan 0.000 0.435 72 G N 1.302 110.107 108.800 0.009 0.000 2.402 72 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 72 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 72 G C 1.589 176.508 174.900 0.031 0.000 1.162 72 G CA 0.232 45.344 45.100 0.019 0.000 0.777 72 G HN 0.203 nan 8.290 nan 0.000 0.539 73 L N 0.850 122.096 121.223 0.039 0.000 2.046 73 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 73 L C 2.913 179.798 176.870 0.025 0.000 1.077 73 L CA 1.312 56.181 54.840 0.047 0.000 0.747 73 L CB -0.410 41.680 42.059 0.051 0.000 0.896 73 L HN 0.086 nan 8.230 nan 0.000 0.432 74 V N -0.519 119.406 119.914 0.020 0.000 2.358 74 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 74 V C 2.730 178.829 176.094 0.009 0.000 1.047 74 V CA 1.673 63.981 62.300 0.013 0.000 1.035 74 V CB -0.904 30.927 31.823 0.013 0.000 0.658 74 V HN 0.754 nan 8.190 nan 0.000 0.452 75 S N 0.006 115.712 115.700 0.009 0.000 2.442 75 S HA -0.089 4.381 4.470 -0.000 0.000 0.236 75 S C 1.694 176.296 174.600 0.003 0.000 1.007 75 S CA 1.325 59.529 58.200 0.006 0.000 0.965 75 S CB -0.542 62.663 63.200 0.007 0.000 0.773 75 S HN 0.566 nan 8.310 nan 0.000 0.504 76 L N 0.854 122.079 121.223 0.003 0.000 2.592 76 L HA 0.316 4.656 4.340 -0.000 0.000 0.227 76 L C 1.796 178.658 176.870 -0.012 0.000 1.127 76 L CA 0.287 55.123 54.840 -0.007 0.000 0.884 76 L CB -0.750 41.303 42.059 -0.010 0.000 1.065 76 L HN 0.589 nan 8.230 nan 0.000 0.457 77 G N 0.371 109.167 108.800 -0.006 0.000 2.153 77 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.252 77 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.252 77 G C 1.026 175.920 174.900 -0.010 0.000 0.994 77 G CA 0.270 45.366 45.100 -0.008 0.000 0.698 77 G HN 0.222 nan 8.290 nan 0.000 0.521 78 K N -0.664 119.731 120.400 -0.009 0.000 2.305 78 K HA 0.289 4.609 4.320 -0.000 0.000 0.199 78 K C 1.230 177.831 176.600 0.001 0.000 1.047 78 K CA 1.515 57.795 56.287 -0.011 0.000 0.976 78 K CB 0.145 32.636 32.500 -0.016 0.000 0.765 78 K HN 1.273 nan 8.250 nan 0.000 0.474 79 V N -1.983 117.935 119.914 0.007 0.000 3.120 79 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 79 V C -0.216 175.884 176.094 0.011 0.000 1.238 79 V CA -1.368 60.940 62.300 0.013 0.000 1.008 79 V CB 1.838 33.675 31.823 0.023 0.000 1.064 79 V HN 0.120 nan 8.190 nan 0.000 0.434 80 S N 2.174 117.880 115.700 0.010 0.000 2.603 80 S HA 0.689 5.159 4.470 -0.000 0.000 0.268 80 S C 1.397 176.004 174.600 0.010 0.000 1.317 80 S CA 0.080 58.285 58.200 0.008 0.000 1.012 80 S CB 1.475 64.678 63.200 0.005 0.000 0.926 80 S HN 2.117 nan 8.310 nan 0.000 0.539 81 A N 1.050 123.874 122.820 0.008 0.000 1.940 81 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 81 A C 1.768 179.358 177.584 0.009 0.000 1.176 81 A CA 2.006 54.049 52.037 0.009 0.000 0.631 81 A CB -1.353 17.651 19.000 0.007 0.000 0.814 81 A HN 0.966 nan 8.150 nan 0.000 0.446 82 D N -0.689 119.714 120.400 0.005 0.000 2.144 82 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 82 D C 1.910 178.211 176.300 0.003 0.000 0.978 82 D CA 1.309 55.309 54.000 0.000 0.000 0.833 82 D CB -0.088 40.709 40.800 -0.004 0.000 0.961 82 D HN 0.617 nan 8.370 nan 0.000 0.470 83 E N -0.732 119.473 120.200 0.009 0.000 2.347 83 E HA 0.009 4.358 4.350 -0.000 0.000 0.196 83 E C 1.432 178.050 176.600 0.029 0.000 1.008 83 E CA 0.544 56.954 56.400 0.017 0.000 0.852 83 E CB 0.130 29.841 29.700 0.020 0.000 0.783 83 E HN 0.256 nan 8.360 nan 0.000 0.505 84 A N 0.794 123.632 122.820 0.029 0.000 2.275 84 A HA 0.164 4.484 4.320 -0.000 0.000 0.212 84 A C 1.092 178.702 177.584 0.043 0.000 1.201 84 A CA 0.183 52.245 52.037 0.041 0.000 0.843 84 A CB -0.214 18.807 19.000 0.035 0.000 0.873 84 A HN 0.106 nan 8.150 nan 0.000 0.492 85 K N 0.688 121.106 120.400 0.030 0.000 2.144 85 K HA 0.437 4.757 4.320 -0.000 0.000 0.270 85 K C -0.300 176.320 176.600 0.034 0.000 1.005 85 K CA -0.649 55.655 56.287 0.028 0.000 0.932 85 K CB 0.149 32.653 32.500 0.008 0.000 1.021 85 K HN 0.346 nan 8.250 nan 0.000 0.462 86 N N 2.792 121.527 118.700 0.058 0.000 2.415 86 N HA 0.174 4.914 4.740 -0.000 0.000 0.246 86 N C -1.988 173.526 175.510 0.007 0.000 1.078 86 N CA -2.367 50.743 53.050 0.099 0.000 0.942 86 N CB 1.483 40.072 38.487 0.169 0.000 1.140 86 N HN 0.241 nan 8.380 nan 0.000 0.501 87 P HA -0.085 nan 4.420 nan 0.000 0.217 87 P C 0.616 177.723 177.300 -0.321 0.000 1.148 87 P CA 1.354 64.247 63.100 -0.345 0.000 0.828 87 P CB -0.004 31.326 31.700 -0.617 0.000 0.783 88 F N -1.037 118.941 119.950 0.046 0.000 2.558 88 F HA -0.003 4.523 4.527 -0.000 0.000 0.298 88 F C 2.017 177.844 175.800 0.045 0.000 1.119 88 F CA 1.429 59.457 58.000 0.047 0.000 1.451 88 F CB -1.226 37.809 39.000 0.057 0.000 1.091 88 F HN 0.029 nan 8.300 nan 0.000 0.563 89 T N -5.256 109.409 114.554 0.185 0.000 2.954 89 T HA 0.445 4.795 4.350 -0.000 0.000 0.252 89 T C 1.734 176.478 174.700 0.074 0.000 0.983 89 T CA 0.486 62.663 62.100 0.128 0.000 0.941 89 T CB 0.485 69.434 68.868 0.134 0.000 1.141 89 T HN 0.314 nan 8.240 nan 0.000 0.500 90 G N 1.861 110.691 108.800 0.050 0.000 2.179 90 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 90 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 90 G C 0.314 175.235 174.900 0.034 0.000 0.977 90 G CA 0.727 45.843 45.100 0.027 0.000 0.641 90 G HN 1.241 nan 8.290 nan 0.000 0.533 91 T N -1.776 112.810 114.554 0.052 0.000 2.923 91 T HA 0.830 5.179 4.350 -0.000 0.000 0.281 91 T C 0.573 175.306 174.700 0.055 0.000 0.995 91 T CA 0.384 62.514 62.100 0.051 0.000 0.985 91 T CB 2.004 70.909 68.868 0.061 0.000 1.114 91 T HN 1.695 nan 8.240 nan 0.000 0.548 92 A N 1.706 124.554 122.820 0.048 0.000 2.388 92 A HA 0.576 4.896 4.320 -0.000 0.000 0.257 92 A C 0.536 178.162 177.584 0.069 0.000 1.095 92 A CA -0.732 51.334 52.037 0.048 0.000 0.791 92 A CB -0.338 18.681 19.000 0.032 0.000 1.029 92 A HN 0.898 nan 8.150 nan 0.000 0.489 93 M N 2.203 121.853 119.600 0.082 0.000 2.217 93 M HA 0.298 4.778 4.480 -0.000 0.000 0.354 93 M C 1.010 177.363 176.300 0.089 0.000 1.225 93 M CA 0.187 55.555 55.300 0.113 0.000 1.137 93 M CB 0.771 33.450 32.600 0.132 0.000 1.576 93 M HN 0.829 nan 8.290 nan 0.000 0.461 94 G N 3.200 112.062 108.800 0.102 0.000 2.539 94 G HA2 0.594 4.554 3.960 -0.000 0.000 0.258 94 G HA3 0.594 4.554 3.960 -0.000 0.000 0.258 94 G C -0.608 174.328 174.900 0.061 0.000 1.202 94 G CA -0.647 44.473 45.100 0.032 0.000 0.851 94 G HN 0.730 nan 8.290 nan 0.000 0.556 95 I N 0.789 121.332 120.570 -0.045 0.000 2.439 95 I HA 0.276 4.446 4.170 -0.000 0.000 0.283 95 I C -1.037 175.051 176.117 -0.049 0.000 1.023 95 I CA -0.365 60.959 61.300 0.041 0.000 1.100 95 I CB 1.532 39.550 38.000 0.030 0.000 1.238 95 I HN 0.206 nan 8.210 nan 0.000 0.445 96 F N 3.301 123.261 119.950 0.017 0.000 2.422 96 F HA 0.436 4.963 4.527 -0.000 0.000 0.333 96 F C 0.738 176.597 175.800 0.099 0.000 1.095 96 F CA -0.224 57.779 58.000 0.004 0.000 1.038 96 F CB 1.889 40.820 39.000 -0.115 0.000 1.156 96 F HN 0.277 nan 8.300 nan 0.000 0.483 97 S N 3.852 119.734 115.700 0.303 0.000 2.475 97 S HA 0.733 5.203 4.470 -0.000 0.000 0.298 97 S C -0.836 173.984 174.600 0.367 0.000 1.119 97 S CA -0.566 57.793 58.200 0.265 0.000 1.085 97 S CB 0.676 63.963 63.200 0.144 0.000 1.028 97 S HN 0.518 nan 8.310 nan 0.000 0.489 98 F N 1.361 121.304 119.950 -0.011 0.000 2.726 98 F HA 0.810 5.337 4.527 -0.000 0.000 0.324 98 F C -3.033 172.740 175.800 -0.044 0.000 1.140 98 F CA -2.831 55.150 58.000 -0.031 0.000 0.964 98 F CB 0.735 39.678 39.000 -0.095 0.000 1.399 98 F HN 0.263 nan 8.300 nan 0.000 0.491 99 P HA 0.205 nan 4.420 nan 0.000 0.274 99 P C -1.547 175.546 177.300 -0.345 0.000 1.231 99 P CA -0.264 62.743 63.100 -0.155 0.000 0.790 99 P CB 1.756 33.453 31.700 -0.004 0.000 0.951 100 R N 2.747 123.124 120.500 -0.206 0.000 2.473 100 R HA 0.222 4.562 4.340 -0.000 0.000 0.303 100 R C -0.234 176.048 176.300 -0.030 0.000 1.002 100 R CA -0.418 55.606 56.100 -0.126 0.000 0.884 100 R CB -0.008 30.187 30.300 -0.175 0.000 1.173 100 R HN 0.407 nan 8.270 nan 0.000 0.464 101 N N 2.518 121.225 118.700 0.013 0.000 2.738 101 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 101 N C -0.910 174.607 175.510 0.011 0.000 1.047 101 N CA 1.566 54.629 53.050 0.022 0.000 0.707 101 N CB -1.111 37.393 38.487 0.028 0.000 0.937 101 N HN 0.821 nan 8.380 nan 0.000 0.545 102 S N -3.831 111.874 115.700 0.009 0.000 3.127 102 S HA -0.227 4.243 4.470 -0.000 0.000 0.281 102 S C 0.229 174.831 174.600 0.002 0.000 1.293 102 S CA 1.186 59.393 58.200 0.011 0.000 1.156 102 S CB -1.593 61.617 63.200 0.016 0.000 1.389 102 S HN 1.204 nan 8.310 nan 0.000 0.672 103 A N 0.799 123.612 122.820 -0.012 0.000 2.252 103 A HA 0.775 5.095 4.320 -0.000 0.000 0.309 103 A C 0.498 178.067 177.584 -0.025 0.000 1.285 103 A CA 0.270 52.298 52.037 -0.015 0.000 0.900 103 A CB 0.486 19.474 19.000 -0.020 0.000 1.157 103 A HN 1.277 nan 8.150 nan 0.000 0.536 104 A N 3.706 126.522 122.820 -0.007 0.000 2.540 104 A HA 0.354 4.674 4.320 -0.000 0.000 0.239 104 A C 0.794 178.377 177.584 -0.001 0.000 1.061 104 A CA 0.131 52.170 52.037 0.003 0.000 0.758 104 A CB -0.354 18.657 19.000 0.018 0.000 0.991 104 A HN 1.234 nan 8.150 nan 0.000 0.502 105 N N 0.690 119.396 118.700 0.009 0.000 2.727 105 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 105 N C 0.067 175.617 175.510 0.067 0.000 1.048 105 N CA 1.226 54.301 53.050 0.043 0.000 0.714 105 N CB -0.437 38.081 38.487 0.053 0.000 0.959 105 N HN 0.724 nan 8.380 nan 0.000 0.544 106 K N -1.037 119.346 120.400 -0.028 0.000 2.358 106 K HA 0.385 4.705 4.320 -0.000 0.000 0.200 106 K C 0.706 177.263 176.600 -0.072 0.000 1.030 106 K CA 0.277 56.560 56.287 -0.007 0.000 1.097 106 K CB 1.031 33.483 32.500 -0.080 0.000 0.862 106 K HN 0.441 nan 8.250 nan 0.000 0.534 107 A N 0.875 123.518 122.820 -0.295 0.000 2.593 107 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 107 A C -1.371 175.887 177.584 -0.542 0.000 1.126 107 A CA -0.821 50.770 52.037 -0.744 0.000 0.695 107 A CB 1.039 19.179 19.000 -1.433 0.000 1.290 107 A HN 0.129 nan 8.150 nan 0.000 0.414 108 F N -1.794 117.814 119.950 -0.570 0.000 2.626 108 F HA 0.926 5.453 4.527 -0.000 0.000 0.311 108 F C -0.401 175.478 175.800 0.133 0.000 1.088 108 F CA -0.804 57.075 58.000 -0.201 0.000 0.949 108 F CB 1.601 40.248 39.000 -0.588 0.000 1.322 108 F HN 1.120 nan 8.300 nan 0.000 0.461 109 A N 2.835 125.791 122.820 0.228 0.000 2.455 109 A HA 0.769 5.089 4.320 -0.000 0.000 0.300 109 A C -1.424 176.267 177.584 0.177 0.000 1.040 109 A CA -0.738 51.328 52.037 0.048 0.000 0.697 109 A CB 1.108 19.945 19.000 -0.273 0.000 1.265 109 A HN 0.809 nan 8.150 nan 0.000 0.407 110 I N 2.464 123.142 120.570 0.180 0.000 2.331 110 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 110 I C 0.584 176.794 176.117 0.156 0.000 0.998 110 I CA -0.227 61.200 61.300 0.211 0.000 1.267 110 I CB 1.871 40.017 38.000 0.245 0.000 1.386 110 I HN 0.723 nan 8.210 nan 0.000 0.476 111 T N 3.312 117.968 114.554 0.170 0.000 2.795 111 T HA 0.624 4.973 4.350 -0.000 0.000 0.282 111 T C -0.432 174.404 174.700 0.227 0.000 0.980 111 T CA -0.724 61.475 62.100 0.165 0.000 1.012 111 T CB 1.596 70.594 68.868 0.217 0.000 0.936 111 T HN 0.222 nan 8.240 nan 0.000 0.457 112 V N 3.249 123.315 119.914 0.252 0.000 2.325 112 V HA 0.704 4.824 4.120 -0.000 0.000 0.280 112 V C 0.821 177.044 176.094 0.215 0.000 1.016 112 V CA -0.547 61.913 62.300 0.267 0.000 0.818 112 V CB 0.842 32.876 31.823 0.351 0.000 1.019 112 V HN 1.231 nan 8.190 nan 0.000 0.434 113 G N 2.145 111.063 108.800 0.195 0.000 2.753 113 G HA2 0.594 4.554 3.960 -0.000 0.000 0.285 113 G HA3 0.594 4.554 3.960 -0.000 0.000 0.285 113 G C 0.809 175.782 174.900 0.121 0.000 1.344 113 G CA -0.269 44.920 45.100 0.148 0.000 1.050 113 G HN 1.572 nan 8.290 nan 0.000 0.532 114 G N -1.577 107.273 108.800 0.084 0.000 2.225 114 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.267 114 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.267 114 G C 0.243 175.182 174.900 0.066 0.000 1.024 114 G CA 0.605 45.747 45.100 0.071 0.000 0.784 114 G HN 0.576 nan 8.290 nan 0.000 0.507 115 L N 0.988 122.242 121.223 0.053 0.000 2.350 115 L HA 0.560 4.899 4.340 -0.000 0.000 0.275 115 L C 1.505 178.429 176.870 0.091 0.000 1.099 115 L CA -0.340 54.494 54.840 -0.010 0.000 0.808 115 L CB 1.123 43.126 42.059 -0.094 0.000 1.149 115 L HN 0.375 nan 8.230 nan 0.000 0.442 116 T N -1.804 112.768 114.554 0.029 0.000 2.816 116 T HA 0.054 4.403 4.350 -0.000 0.000 0.282 116 T C 0.727 175.477 174.700 0.082 0.000 0.993 116 T CA -0.392 61.762 62.100 0.089 0.000 0.994 116 T CB 1.281 70.171 68.868 0.037 0.000 1.025 116 T HN 0.704 nan 8.240 nan 0.000 0.529 117 Q N 0.201 120.069 119.800 0.114 0.000 2.084 117 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 117 Q C 2.424 178.318 176.000 -0.176 0.000 0.978 117 Q CA 1.532 57.275 55.803 -0.100 0.000 0.844 117 Q CB -0.714 28.039 28.738 0.025 0.000 0.898 117 Q HN 0.905 nan 8.270 nan 0.000 0.426 118 A N 0.447 123.218 122.820 -0.081 0.000 1.898 118 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 118 A C 1.918 179.439 177.584 -0.105 0.000 1.181 118 A CA 1.524 53.515 52.037 -0.077 0.000 0.620 118 A CB -0.508 18.474 19.000 -0.030 0.000 0.819 118 A HN 0.497 nan 8.150 nan 0.000 0.442 119 Q N -1.280 118.441 119.800 -0.131 0.000 2.084 119 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 119 Q C 2.335 178.176 176.000 -0.266 0.000 0.978 119 Q CA 1.517 57.179 55.803 -0.235 0.000 0.844 119 Q CB -0.510 27.995 28.738 -0.388 0.000 0.898 119 Q HN 0.793 nan 8.270 nan 0.000 0.426 120 c N 1.064 119.509 118.600 -0.258 0.000 2.436 120 c HA -0.151 4.419 4.570 -0.000 0.000 0.277 120 c C 2.374 176.341 174.090 -0.205 0.000 1.241 120 c CA 0.991 57.159 56.329 -0.269 0.000 1.721 120 c CB -0.551 41.662 42.510 -0.496 0.000 2.043 120 c HN 0.422 nan 8.230 nan 0.000 0.472 121 K N -0.295 119.976 120.400 -0.215 0.000 2.032 121 K HA -0.148 4.171 4.320 -0.000 0.000 0.209 121 K C 2.064 178.625 176.600 -0.065 0.000 1.048 121 K CA 2.209 58.413 56.287 -0.139 0.000 0.927 121 K CB -0.534 31.890 32.500 -0.127 0.000 0.712 121 K HN 0.515 nan 8.250 nan 0.000 0.441 122 T N 1.684 116.205 114.554 -0.055 0.000 2.821 122 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 122 T C 1.705 176.419 174.700 0.023 0.000 1.046 122 T CA 0.844 62.940 62.100 -0.007 0.000 1.139 122 T CB -0.139 68.732 68.868 0.006 0.000 0.871 122 T HN 0.074 nan 8.240 nan 0.000 0.454 123 L N 1.323 122.552 121.223 0.010 0.000 2.027 123 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 123 L C 2.406 179.351 176.870 0.126 0.000 1.074 123 L CA 1.549 56.432 54.840 0.072 0.000 0.745 123 L CB -0.745 41.344 42.059 0.050 0.000 0.898 123 L HN 0.056 nan 8.230 nan 0.000 0.433 124 V N -0.702 119.299 119.914 0.145 0.000 2.407 124 V HA -0.278 3.841 4.120 -0.000 0.000 0.248 124 V C 2.456 178.631 176.094 0.135 0.000 1.055 124 V CA 2.132 64.558 62.300 0.211 0.000 1.049 124 V CB -1.027 30.851 31.823 0.092 0.000 0.662 124 V HN 0.548 nan 8.190 nan 0.000 0.455 125 T N -0.313 114.284 114.554 0.072 0.000 2.821 125 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 125 T C 2.106 176.844 174.700 0.064 0.000 1.046 125 T CA 1.803 63.938 62.100 0.057 0.000 1.139 125 T CB -0.194 68.693 68.868 0.032 0.000 0.871 125 T HN 0.521 nan 8.240 nan 0.000 0.454 126 S N 0.885 116.623 115.700 0.063 0.000 2.406 126 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 126 S C 2.128 176.761 174.600 0.055 0.000 1.020 126 S CA 1.192 59.425 58.200 0.055 0.000 0.965 126 S CB -0.069 63.166 63.200 0.058 0.000 0.798 126 S HN 0.574 nan 8.310 nan 0.000 0.488 127 V N -1.697 118.255 119.914 0.064 0.000 3.432 127 V HA 0.514 4.634 4.120 -0.000 0.000 0.298 127 V C 1.797 178.011 176.094 0.200 0.000 1.464 127 V CA 0.522 62.866 62.300 0.074 0.000 1.046 127 V CB -0.569 31.226 31.823 -0.048 0.000 0.887 127 V HN 0.299 nan 8.190 nan 0.000 0.441 128 G N 1.135 110.070 108.800 0.225 0.000 2.505 128 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 128 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 128 G C 1.037 176.082 174.900 0.242 0.000 1.145 128 G CA 1.509 46.782 45.100 0.288 0.000 0.761 128 G HN 0.531 nan 8.290 nan 0.000 0.571 129 D N 0.219 120.708 120.400 0.147 0.000 2.350 129 D HA -0.008 4.632 4.640 -0.000 0.000 0.216 129 D C 2.392 178.732 176.300 0.067 0.000 0.968 129 D CA 0.540 54.599 54.000 0.097 0.000 0.894 129 D CB -0.102 40.734 40.800 0.060 0.000 0.909 129 D HN 0.400 nan 8.370 nan 0.000 0.520 130 M N -0.970 118.665 119.600 0.058 0.000 2.556 130 M HA 0.099 4.579 4.480 -0.000 0.000 0.245 130 M C -0.257 175.823 176.300 -0.366 0.000 1.128 130 M CA 0.405 55.610 55.300 -0.158 0.000 1.069 130 M CB 0.375 32.815 32.600 -0.268 0.000 1.469 130 M HN -0.207 nan 8.290 nan 0.000 0.494 131 F N 0.222 120.248 119.950 0.126 0.000 2.540 131 F HA 0.367 4.893 4.527 -0.000 0.000 0.317 131 F C -1.815 174.079 175.800 0.156 0.000 1.104 131 F CA -2.039 56.066 58.000 0.175 0.000 0.913 131 F CB 1.282 40.448 39.000 0.277 0.000 1.170 131 F HN -0.216 nan 8.300 nan 0.000 0.450 132 P HA -0.036 nan 4.420 nan 0.000 0.235 132 P C -0.216 177.188 177.300 0.173 0.000 1.177 132 P CA 0.912 64.142 63.100 0.218 0.000 0.785 132 P CB 0.569 32.412 31.700 0.239 0.000 0.885 133 F N 1.042 121.062 119.950 0.117 0.000 2.529 133 F HA 0.584 5.110 4.527 -0.000 0.000 0.320 133 F C -1.046 174.759 175.800 0.010 0.000 1.118 133 F CA -1.175 56.821 58.000 -0.007 0.000 0.915 133 F CB 1.384 40.414 39.000 0.051 0.000 1.161 133 F HN -0.351 nan 8.300 nan 0.000 0.445 134 I N 5.631 125.801 120.570 -0.667 0.000 2.571 134 I HA 0.287 4.456 4.170 -0.000 0.000 0.289 134 I C -1.359 174.287 176.117 -0.785 0.000 1.115 134 I CA -0.788 60.159 61.300 -0.588 0.000 1.045 134 I CB 2.066 39.872 38.000 -0.324 0.000 1.238 134 I HN 0.511 nan 8.210 nan 0.000 0.424 135 N N 5.939 124.265 118.700 -0.623 0.000 2.491 135 N HA 0.407 5.147 4.740 -0.000 0.000 0.274 135 N C -1.506 173.917 175.510 -0.144 0.000 1.023 135 N CA -0.277 52.557 53.050 -0.361 0.000 0.902 135 N CB 2.239 40.618 38.487 -0.181 0.000 1.267 135 N HN 0.266 nan 8.380 nan 0.000 0.503 136 V N 3.761 123.585 119.914 -0.150 0.000 2.370 136 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 136 V C 0.284 176.347 176.094 -0.052 0.000 1.029 136 V CA -0.580 61.663 62.300 -0.096 0.000 0.870 136 V CB 1.192 32.933 31.823 -0.135 0.000 0.984 136 V HN 0.533 nan 8.190 nan 0.000 0.451 137 K N 3.762 124.108 120.400 -0.090 0.000 2.422 137 K HA 0.490 4.810 4.320 -0.000 0.000 0.251 137 K C -0.551 175.957 176.600 -0.153 0.000 0.933 137 K CA -0.677 55.465 56.287 -0.241 0.000 0.798 137 K CB 2.326 34.410 32.500 -0.694 0.000 1.238 137 K HN 0.738 nan 8.250 nan 0.000 0.428 138 E N 1.825 121.891 120.200 -0.224 0.000 2.338 138 E HA 0.327 4.677 4.350 -0.000 0.000 0.272 138 E C 0.244 176.624 176.600 -0.366 0.000 1.029 138 E CA 1.109 57.243 56.400 -0.443 0.000 0.872 138 E CB 0.856 30.287 29.700 -0.449 0.000 1.015 138 E HN 0.859 nan 8.360 nan 0.000 0.417 139 G N 2.551 111.137 108.800 -0.357 0.000 2.545 139 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.240 139 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.240 139 G C -0.718 174.051 174.900 -0.219 0.000 1.172 139 G CA -0.294 44.654 45.100 -0.253 0.000 0.949 139 G HN 0.996 nan 8.290 nan 0.000 0.574 140 A N -1.234 121.451 122.820 -0.225 0.000 2.587 140 A HA 0.796 5.115 4.320 -0.000 0.000 0.293 140 A C -0.979 176.459 177.584 -0.242 0.000 1.087 140 A CA -0.443 51.492 52.037 -0.169 0.000 0.692 140 A CB 1.022 20.009 19.000 -0.022 0.000 1.291 140 A HN 1.301 nan 8.150 nan 0.000 0.407 141 F N 1.043 120.973 119.950 -0.033 0.000 2.438 141 F HA 0.494 5.021 4.527 -0.000 0.000 0.356 141 F C 1.161 176.977 175.800 0.027 0.000 1.099 141 F CA 1.095 59.034 58.000 -0.101 0.000 1.185 141 F CB 1.646 40.475 39.000 -0.286 0.000 1.115 141 F HN 0.796 nan 8.300 nan 0.000 0.526 142 A N 3.122 126.036 122.820 0.157 0.000 2.284 142 A HA 0.745 5.064 4.320 -0.000 0.000 0.219 142 A C 0.654 178.375 177.584 0.229 0.000 2.353 142 A CA 0.448 52.592 52.037 0.178 0.000 1.164 142 A CB -0.827 18.221 19.000 0.080 0.000 1.293 142 A HN 0.689 nan 8.150 nan 0.000 0.586 143 A N -0.540 122.364 122.820 0.141 0.000 2.351 143 A HA 0.457 4.777 4.320 -0.000 0.000 0.257 143 A C 1.204 178.847 177.584 0.098 0.000 1.087 143 A CA 0.279 52.406 52.037 0.150 0.000 0.798 143 A CB 0.488 19.541 19.000 0.090 0.000 1.033 143 A HN 1.273 nan 8.150 nan 0.000 0.488 144 V N 1.977 121.984 119.914 0.155 0.000 2.568 144 V HA -0.209 3.911 4.120 -0.000 0.000 0.253 144 V C 2.420 178.501 176.094 -0.022 0.000 1.072 144 V CA 2.866 65.196 62.300 0.051 0.000 1.084 144 V CB -0.938 31.007 31.823 0.204 0.000 0.676 144 V HN 1.036 nan 8.190 nan 0.000 0.469 145 A N -0.541 122.298 122.820 0.031 0.000 2.070 145 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 145 A C 1.823 179.417 177.584 0.015 0.000 1.159 145 A CA 1.762 53.819 52.037 0.034 0.000 0.656 145 A CB -0.614 18.411 19.000 0.041 0.000 0.800 145 A HN 0.633 nan 8.150 nan 0.000 0.453 146 D N 0.037 120.438 120.400 0.001 0.000 2.218 146 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 146 D C 1.742 178.096 176.300 0.091 0.000 0.976 146 D CA 0.821 54.853 54.000 0.052 0.000 0.853 146 D CB -0.234 40.640 40.800 0.123 0.000 0.939 146 D HN 0.503 nan 8.370 nan 0.000 0.481 147 L N -0.401 120.758 121.223 -0.107 0.000 2.156 147 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 147 L C 1.595 178.463 176.870 -0.004 0.000 1.095 147 L CA 0.657 55.331 54.840 -0.275 0.000 0.770 147 L CB -0.507 41.016 42.059 -0.893 0.000 0.914 147 L HN 0.161 nan 8.230 nan 0.000 0.439 148 G N -0.103 108.746 108.800 0.082 0.000 2.508 148 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.220 148 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.220 148 G C -0.966 174.115 174.900 0.302 0.000 1.287 148 G CA -0.153 45.060 45.100 0.188 0.000 0.916 148 G HN 0.200 nan 8.290 nan 0.000 0.574 149 D N -0.626 119.951 120.400 0.295 0.000 2.505 149 D HA 0.517 5.157 4.640 -0.000 0.000 0.249 149 D C 1.030 177.456 176.300 0.210 0.000 1.082 149 D CA -0.481 53.652 54.000 0.222 0.000 0.839 149 D CB 1.584 42.455 40.800 0.119 0.000 1.317 149 D HN 0.248 nan 8.370 nan 0.000 0.497 150 F N 3.539 123.349 119.950 -0.233 0.000 2.154 150 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 150 F C 1.925 177.708 175.800 -0.029 0.000 1.087 150 F CA 1.815 59.596 58.000 -0.364 0.000 1.274 150 F CB 0.411 38.971 39.000 -0.734 0.000 1.009 150 F HN 0.527 nan 8.300 nan 0.000 0.485 151 E N -1.428 118.815 120.200 0.072 0.000 2.372 151 E HA -0.031 4.319 4.350 -0.000 0.000 0.201 151 E C 1.583 178.201 176.600 0.030 0.000 0.938 151 E CA 0.911 57.332 56.400 0.036 0.000 0.944 151 E CB 0.088 29.854 29.700 0.111 0.000 0.937 151 E HN 0.411 nan 8.360 nan 0.000 0.495 152 T N -2.145 112.441 114.554 0.054 0.000 3.054 152 T HA 0.254 4.604 4.350 -0.000 0.000 0.255 152 T C 0.642 175.377 174.700 0.058 0.000 1.035 152 T CA -0.405 61.723 62.100 0.048 0.000 0.941 152 T CB 0.549 69.443 68.868 0.044 0.000 1.026 152 T HN -0.169 nan 8.240 nan 0.000 0.533 153 S N 2.365 118.124 115.700 0.097 0.000 2.422 153 S HA 0.420 4.890 4.470 -0.000 0.000 0.283 153 S C 0.176 174.806 174.600 0.049 0.000 1.163 153 S CA -0.574 57.686 58.200 0.100 0.000 1.054 153 S CB 0.535 63.852 63.200 0.196 0.000 0.967 153 S HN 0.338 nan 8.310 nan 0.000 0.499 154 V N 3.991 123.914 119.914 0.016 0.000 2.521 154 V HA 0.320 4.439 4.120 -0.000 0.000 0.286 154 V C 0.757 176.825 176.094 -0.043 0.000 1.034 154 V CA -0.488 61.804 62.300 -0.013 0.000 1.045 154 V CB 0.356 32.173 31.823 -0.011 0.000 0.974 154 V HN 0.912 nan 8.190 nan 0.000 0.480 155 A N 3.988 126.765 122.820 -0.071 0.000 2.302 155 A HA 0.612 4.931 4.320 -0.000 0.000 0.285 155 A C -0.057 177.463 177.584 -0.107 0.000 1.105 155 A CA -0.304 51.662 52.037 -0.117 0.000 0.816 155 A CB 0.607 19.511 19.000 -0.159 0.000 1.067 155 A HN 0.804 nan 8.150 nan 0.000 0.489 156 D N 1.185 121.504 120.400 -0.135 0.000 2.364 156 D HA 0.445 5.085 4.640 -0.000 0.000 0.251 156 D C 0.674 176.850 176.300 -0.208 0.000 1.282 156 D CA 0.251 54.172 54.000 -0.132 0.000 0.927 156 D CB 0.960 41.710 40.800 -0.083 0.000 1.267 156 D HN 0.459 nan 8.370 nan 0.000 0.531 157 A N 2.348 124.954 122.820 -0.356 0.000 2.125 157 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 157 A C 1.973 179.275 177.584 -0.470 0.000 1.156 157 A CA 1.511 53.212 52.037 -0.560 0.000 0.671 157 A CB -0.131 18.244 19.000 -1.042 0.000 0.794 157 A HN 0.532 nan 8.150 nan 0.000 0.459 158 A N -0.333 122.334 122.820 -0.255 0.000 2.209 158 A HA 0.051 4.371 4.320 -0.000 0.000 0.212 158 A C 2.155 179.719 177.584 -0.034 0.000 1.158 158 A CA 1.838 53.870 52.037 -0.009 0.000 0.742 158 A CB -0.866 18.179 19.000 0.076 0.000 0.790 158 A HN 0.709 nan 8.150 nan 0.000 0.472 159 T N -4.875 109.632 114.554 -0.079 0.000 3.057 159 T HA 0.349 4.699 4.350 -0.000 0.000 0.254 159 T C 1.560 176.221 174.700 -0.065 0.000 1.094 159 T CA 1.118 63.182 62.100 -0.059 0.000 1.088 159 T CB -0.211 68.619 68.868 -0.062 0.000 0.934 159 T HN 1.511 nan 8.240 nan 0.000 0.497 160 G N 1.354 110.095 108.800 -0.099 0.000 2.180 160 G HA2 0.023 3.983 3.960 -0.000 0.000 0.263 160 G HA3 0.023 3.983 3.960 -0.000 0.000 0.263 160 G C 0.211 175.058 174.900 -0.089 0.000 0.989 160 G CA 0.205 45.245 45.100 -0.099 0.000 0.692 160 G HN 1.389 nan 8.290 nan 0.000 0.526 161 A N -1.777 120.992 122.820 -0.085 0.000 2.556 161 A HA 1.064 5.384 4.320 -0.000 0.000 0.294 161 A C 1.183 178.713 177.584 -0.091 0.000 1.091 161 A CA 1.082 53.080 52.037 -0.064 0.000 0.704 161 A CB 1.066 20.048 19.000 -0.030 0.000 1.300 161 A HN 2.259 nan 8.150 nan 0.000 0.406 162 G N -0.846 107.901 108.800 -0.088 0.000 2.552 162 G HA2 0.041 4.001 3.960 -0.000 0.000 0.265 162 G HA3 0.041 4.001 3.960 -0.000 0.000 0.265 162 G C 0.035 174.844 174.900 -0.152 0.000 1.234 162 G CA -0.195 44.847 45.100 -0.096 0.000 0.944 162 G HN 1.855 nan 8.290 nan 0.000 0.568 163 V N 1.746 121.561 119.914 -0.165 0.000 2.421 163 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 163 V C 1.691 177.625 176.094 -0.267 0.000 1.031 163 V CA 1.162 63.290 62.300 -0.287 0.000 1.032 163 V CB 0.373 32.063 31.823 -0.222 0.000 1.009 163 V HN 0.915 nan 8.190 nan 0.000 0.477 164 I N 1.455 121.834 120.570 -0.318 0.000 4.082 164 I HA 0.510 4.680 4.170 -0.000 0.000 0.337 164 I C 0.518 176.478 176.117 -0.260 0.000 1.352 164 I CA 0.084 61.223 61.300 -0.268 0.000 1.097 164 I CB 0.173 38.024 38.000 -0.248 0.000 1.048 164 I HN 0.491 nan 8.210 nan 0.000 0.393 165 K N 1.656 121.868 120.400 -0.314 0.000 2.561 165 K HA 0.541 4.861 4.320 -0.000 0.000 0.254 165 K C -1.112 175.314 176.600 -0.290 0.000 0.942 165 K CA -0.157 55.989 56.287 -0.235 0.000 0.818 165 K CB 1.926 34.334 32.500 -0.153 0.000 1.306 165 K HN 0.380 nan 8.250 nan 0.000 0.435 166 S N 2.321 117.921 115.700 -0.166 0.000 2.615 166 S HA 0.307 4.777 4.470 -0.000 0.000 0.268 166 S C 0.300 174.817 174.600 -0.137 0.000 1.146 166 S CA -0.919 57.201 58.200 -0.133 0.000 0.818 166 S CB 0.346 63.519 63.200 -0.046 0.000 1.111 166 S HN 0.673 nan 8.310 nan 0.000 0.465 167 I N -0.630 119.810 120.570 -0.217 0.000 3.812 167 I HA 0.594 4.764 4.170 -0.000 0.000 0.320 167 I C 0.821 176.901 176.117 -0.061 0.000 1.276 167 I CA -0.408 60.821 61.300 -0.119 0.000 1.164 167 I CB -0.607 37.333 38.000 -0.101 0.000 1.009 167 I HN 0.707 nan 8.210 nan 0.000 0.431 168 A N 2.560 125.345 122.820 -0.058 0.000 2.498 168 A HA 0.397 4.717 4.320 -0.000 0.000 0.239 168 A C -2.291 175.285 177.584 -0.013 0.000 1.068 168 A CA -0.848 51.177 52.037 -0.020 0.000 0.766 168 A CB -0.629 18.367 19.000 -0.008 0.000 1.003 168 A HN 0.189 nan 8.150 nan 0.000 0.497 169 P HA 0.319 nan 4.420 nan 0.000 0.268 169 P C 0.974 178.273 177.300 -0.001 0.000 1.204 169 P CA 1.595 64.696 63.100 0.001 0.000 0.768 169 P CB 0.797 32.501 31.700 0.006 0.000 0.842 170 G N 1.540 110.339 108.800 -0.001 0.000 2.179 170 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 170 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 170 G C 0.442 175.337 174.900 -0.007 0.000 0.977 170 G CA -0.084 45.015 45.100 -0.002 0.000 0.641 170 G HN 0.575 nan 8.290 nan 0.000 0.533 171 S N 0.459 116.151 115.700 -0.014 0.000 2.562 171 S HA 0.537 5.007 4.470 -0.000 0.000 0.281 171 S C 0.758 175.347 174.600 -0.018 0.000 1.333 171 S CA 0.471 58.654 58.200 -0.027 0.000 1.052 171 S CB 1.327 64.502 63.200 -0.043 0.000 0.884 171 S HN 1.526 nan 8.310 nan 0.000 0.506 172 A N 4.520 127.323 122.820 -0.029 0.000 2.880 172 A HA 0.339 4.658 4.320 -0.000 0.000 0.328 172 A C 0.135 177.690 177.584 -0.048 0.000 1.440 172 A CA -0.840 51.196 52.037 -0.001 0.000 1.068 172 A CB -0.291 18.713 19.000 0.006 0.000 1.163 172 A HN 0.723 nan 8.150 nan 0.000 0.510 173 N N 0.843 119.534 118.700 -0.015 0.000 2.518 173 N HA 0.117 4.857 4.740 -0.000 0.000 0.266 173 N C 0.014 175.518 175.510 -0.010 0.000 1.196 173 N CA -0.330 52.696 53.050 -0.041 0.000 0.947 173 N CB 0.817 39.296 38.487 -0.014 0.000 1.098 173 N HN 0.597 nan 8.380 nan 0.000 0.450 174 L N 2.426 123.599 121.223 -0.084 0.000 2.667 174 L HA -0.063 4.277 4.340 -0.000 0.000 0.278 174 L C 0.093 177.057 176.870 0.156 0.000 1.217 174 L CA 0.577 55.405 54.840 -0.020 0.000 0.935 174 L CB -0.439 41.593 42.059 -0.045 0.000 1.193 174 L HN 0.454 nan 8.230 nan 0.000 0.493 175 N N 4.865 123.795 118.700 0.383 0.000 2.524 175 N HA 0.204 4.943 4.740 -0.000 0.000 0.261 175 N C 0.308 175.892 175.510 0.123 0.000 0.998 175 N CA -0.456 52.701 53.050 0.178 0.000 0.915 175 N CB 0.801 39.332 38.487 0.074 0.000 1.187 175 N HN 0.750 nan 8.380 nan 0.000 0.507 176 L N 1.774 123.044 121.223 0.079 0.000 2.633 176 L HA -0.011 4.329 4.340 -0.000 0.000 0.235 176 L C 1.336 178.218 176.870 0.021 0.000 1.163 176 L CA 1.018 55.891 54.840 0.054 0.000 0.859 176 L CB -0.400 41.688 42.059 0.049 0.000 0.973 176 L HN 0.640 nan 8.230 nan 0.000 0.451 177 T N -5.331 109.222 114.554 -0.001 0.000 3.129 177 T HA 0.086 4.436 4.350 -0.000 0.000 0.267 177 T C 0.570 175.233 174.700 -0.061 0.000 1.018 177 T CA -0.460 61.627 62.100 -0.022 0.000 0.903 177 T CB -0.167 68.691 68.868 -0.016 0.000 1.067 177 T HN 0.049 nan 8.240 nan 0.000 0.549 178 N N 1.423 120.059 118.700 -0.106 0.000 2.457 178 N HA 0.206 4.945 4.740 -0.000 0.000 0.250 178 N C 0.783 176.209 175.510 -0.140 0.000 0.982 178 N CA -0.526 52.392 53.050 -0.221 0.000 0.941 178 N CB 1.268 39.400 38.487 -0.591 0.000 1.120 178 N HN 0.111 nan 8.380 nan 0.000 0.505 179 I N 3.871 124.385 120.570 -0.092 0.000 2.264 179 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 179 I C 1.712 177.815 176.117 -0.023 0.000 1.111 179 I CA 1.761 63.035 61.300 -0.045 0.000 1.382 179 I CB -0.284 37.694 38.000 -0.035 0.000 1.060 179 I HN 0.554 nan 8.210 nan 0.000 0.418 180 T N -0.573 113.958 114.554 -0.039 0.000 2.746 180 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 180 T C 1.770 176.542 174.700 0.121 0.000 1.039 180 T CA 1.927 64.043 62.100 0.027 0.000 1.142 180 T CB -0.593 68.295 68.868 0.034 0.000 0.866 180 T HN 0.558 nan 8.240 nan 0.000 0.444 181 H N -0.041 119.014 119.070 -0.026 0.000 2.353 181 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 181 H C 2.424 177.731 175.328 -0.036 0.000 1.090 181 H CA 0.931 56.959 56.048 -0.032 0.000 1.327 181 H CB -0.088 29.657 29.762 -0.029 0.000 1.383 181 H HN 0.126 nan 8.280 nan 0.000 0.508 182 V N 1.195 121.169 119.914 0.100 0.000 2.295 182 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 182 V C 2.043 178.142 176.094 0.008 0.000 1.049 182 V CA 1.840 64.161 62.300 0.036 0.000 1.024 182 V CB -0.376 31.457 31.823 0.016 0.000 0.648 182 V HN 0.444 nan 8.190 nan 0.000 0.447 183 E N -0.316 119.890 120.200 0.010 0.000 2.106 183 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 183 E C 2.172 178.765 176.600 -0.012 0.000 0.984 183 E CA 0.778 57.175 56.400 -0.004 0.000 0.806 183 E CB -0.040 29.660 29.700 -0.000 0.000 0.750 183 E HN 0.393 nan 8.360 nan 0.000 0.458 184 K N 0.532 120.931 120.400 -0.002 0.000 2.365 184 K HA 0.019 4.339 4.320 -0.000 0.000 0.197 184 K C 0.591 177.159 176.600 -0.052 0.000 1.042 184 K CA -0.091 56.185 56.287 -0.018 0.000 0.987 184 K CB -0.366 32.131 32.500 -0.006 0.000 0.779 184 K HN 0.076 nan 8.250 nan 0.000 0.484 185 L N 1.795 122.982 121.223 -0.060 0.000 2.667 185 L HA -0.166 4.174 4.340 -0.000 0.000 0.278 185 L C 0.061 176.823 176.870 -0.180 0.000 1.217 185 L CA 0.723 55.499 54.840 -0.107 0.000 0.935 185 L CB -0.587 41.422 42.059 -0.084 0.000 1.193 185 L HN 0.458 nan 8.230 nan 0.000 0.493 186 c N 2.894 121.351 118.600 -0.239 0.000 4.454 186 c HA -0.183 4.387 4.570 -0.000 0.000 0.298 186 c C 1.078 174.985 174.090 -0.306 0.000 1.384 186 c CA 0.793 56.845 56.329 -0.462 0.000 2.002 186 c CB -3.434 38.606 42.510 -0.784 0.000 1.249 186 c HN 1.145 nan 8.230 nan 0.000 0.783 187 T N -0.020 114.493 114.554 -0.069 0.000 2.940 187 T HA 0.482 4.832 4.350 -0.000 0.000 0.309 187 T C 0.784 175.608 174.700 0.206 0.000 1.056 187 T CA 1.932 64.054 62.100 0.036 0.000 1.137 187 T CB 0.790 69.668 68.868 0.016 0.000 0.976 187 T HN 2.344 nan 8.240 nan 0.000 0.547 188 G N 2.925 111.855 108.800 0.217 0.000 2.280 188 G HA2 0.126 4.085 3.960 -0.000 0.000 0.277 188 G HA3 0.126 4.085 3.960 -0.000 0.000 0.277 188 G C -0.714 174.310 174.900 0.206 0.000 1.288 188 G CA -0.265 44.955 45.100 0.201 0.000 1.075 188 G HN 0.894 nan 8.290 nan 0.000 0.480 189 T N 1.033 115.558 114.554 -0.047 0.000 2.824 189 T HA 0.760 5.109 4.350 -0.000 0.000 0.282 189 T C 0.681 175.114 174.700 -0.446 0.000 0.993 189 T CA 0.620 62.652 62.100 -0.113 0.000 0.967 189 T CB 1.385 70.188 68.868 -0.109 0.000 0.960 189 T HN 1.719 nan 8.240 nan 0.000 0.441 190 A N 4.870 127.570 122.820 -0.199 0.000 2.429 190 A HA 0.565 4.885 4.320 -0.000 0.000 0.242 190 A C -1.784 175.643 177.584 -0.261 0.000 1.088 190 A CA -0.920 50.959 52.037 -0.262 0.000 0.784 190 A CB -0.488 18.573 19.000 0.102 0.000 1.038 190 A HN 0.618 nan 8.150 nan 0.000 0.501 191 P HA 0.495 nan 4.420 nan 0.000 0.276 191 P C -1.152 175.938 177.300 -0.349 0.000 1.244 191 P CA 0.091 63.094 63.100 -0.162 0.000 0.801 191 P CB 0.558 32.215 31.700 -0.073 0.000 1.006 192 F N -0.729 119.173 119.950 -0.081 0.000 2.579 192 F HA 0.507 5.034 4.527 -0.000 0.000 0.324 192 F C 0.660 176.410 175.800 -0.084 0.000 1.058 192 F CA -0.202 57.736 58.000 -0.103 0.000 0.944 192 F CB 2.178 41.115 39.000 -0.105 0.000 1.245 192 F HN 0.110 nan 8.300 nan 0.000 0.477 193 T N 1.604 116.222 114.554 0.106 0.000 2.916 193 T HA 0.638 4.988 4.350 -0.000 0.000 0.298 193 T C -1.295 173.492 174.700 0.145 0.000 1.031 193 T CA -0.633 61.533 62.100 0.111 0.000 0.993 193 T CB 1.883 70.805 68.868 0.089 0.000 1.045 193 T HN 0.283 nan 8.240 nan 0.000 0.454 194 V N 2.021 122.003 119.914 0.114 0.000 2.540 194 V HA 0.811 4.931 4.120 -0.000 0.000 0.302 194 V C -0.116 175.818 176.094 -0.268 0.000 1.035 194 V CA -1.010 61.211 62.300 -0.132 0.000 0.873 194 V CB 1.695 33.266 31.823 -0.420 0.000 0.992 194 V HN 1.091 nan 8.190 nan 0.000 0.428 195 A N 4.758 127.337 122.820 -0.403 0.000 2.260 195 A HA 0.842 5.162 4.320 -0.000 0.000 0.314 195 A C -0.977 176.249 177.584 -0.597 0.000 1.257 195 A CA -0.246 51.484 52.037 -0.512 0.000 0.871 195 A CB 0.119 18.632 19.000 -0.812 0.000 1.166 195 A HN 0.648 nan 8.150 nan 0.000 0.522 196 F N 2.308 122.079 119.950 -0.298 0.000 2.361 196 F HA 0.564 5.091 4.527 -0.000 0.000 0.364 196 F C 1.010 176.612 175.800 -0.329 0.000 1.117 196 F CA -0.103 57.558 58.000 -0.565 0.000 1.071 196 F CB 2.054 40.208 39.000 -1.409 0.000 1.188 196 F HN 0.674 nan 8.300 nan 0.000 0.464 197 G N 2.124 111.074 108.800 0.249 0.000 2.511 197 G HA2 0.575 4.534 3.960 -0.000 0.000 0.318 197 G HA3 0.575 4.534 3.960 -0.000 0.000 0.318 197 G C -1.499 173.578 174.900 0.294 0.000 1.210 197 G CA -0.522 44.704 45.100 0.210 0.000 0.969 197 G HN 0.476 nan 8.290 nan 0.000 0.484 198 N N -1.674 116.807 118.700 -0.366 0.000 3.020 198 N HA 0.675 5.414 4.740 -0.000 0.000 0.248 198 N C -1.207 173.776 175.510 -0.878 0.000 1.480 198 N CA -0.394 52.478 53.050 -0.297 0.000 0.874 198 N CB 2.108 40.498 38.487 -0.162 0.000 1.433 198 N HN 0.618 nan 8.380 nan 0.000 0.530 199 S N 0.000 115.374 115.700 -0.544 0.000 2.498 199 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 199 S CA 0.000 57.935 58.200 -0.442 0.000 1.107 199 S CB 0.000 62.590 63.200 -1.017 0.000 0.593 199 S HN 0.000 nan 8.310 nan 0.000 0.517