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 1fu5_1_A DATA FIRST_RESID 1 DATA SEQUENCE GMNNNMSLQD AEWYWGDISR EEVNEKLRDT ADGTFLVRDA STKMHGDYTL DATA SEQUENCE TLRKGGNNKS IKIFHRDGKY GFSDPLTFNS VVELINHYRN ESLAQYNPKL DATA SEQUENCE DVKLLYPVSK Y 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.973 3.960 0.022 0.000 0.244 1 G C 0.000 174.921 174.900 0.036 0.000 0.946 1 G CA 0.000 45.112 45.100 0.020 0.000 0.502 2 M N 2.174 121.800 119.600 0.044 0.000 2.067 2 M HA 0.108 4.634 4.480 0.076 0.000 0.214 2 M C -1.673 174.670 176.300 0.071 0.000 0.891 2 M CA 0.340 55.689 55.300 0.081 0.000 0.697 2 M CB 0.614 33.294 32.600 0.133 0.000 1.616 2 M HN 0.026 8.333 8.290 0.029 0.000 0.354 3 N N -0.394 118.331 118.700 0.041 0.000 2.482 3 N HA -0.310 4.432 4.740 0.004 0.000 0.288 3 N C -0.725 174.763 175.510 -0.037 0.000 1.319 3 N CA 0.593 53.649 53.050 0.009 0.000 0.671 3 N CB 0.099 38.603 38.487 0.029 0.000 0.911 3 N HN 0.295 8.697 8.380 0.037 0.000 0.531 4 N N 0.615 119.290 118.700 -0.041 0.000 2.182 4 N HA -0.141 4.555 4.740 -0.075 0.000 0.186 4 N C 0.054 175.513 175.510 -0.084 0.000 1.036 4 N CA 1.842 54.854 53.050 -0.064 0.000 0.850 4 N CB 0.534 38.991 38.487 -0.050 0.000 1.010 4 N HN 0.159 8.522 8.380 -0.029 0.000 0.432 5 N N 0.037 118.696 118.700 -0.070 0.000 3.229 5 N HA 0.036 4.721 4.740 -0.092 0.000 0.275 5 N C -1.477 173.983 175.510 -0.084 0.000 1.225 5 N CA 0.211 53.215 53.050 -0.078 0.000 1.119 5 N CB -1.663 36.787 38.487 -0.061 0.000 1.392 5 N HN 0.070 8.418 8.380 -0.054 0.000 0.520 6 M N 1.256 120.789 119.600 -0.111 0.000 2.447 6 M HA -0.080 4.328 4.480 -0.120 0.000 0.292 6 M C -2.552 173.640 176.300 -0.180 0.000 1.083 6 M CA 0.402 55.630 55.300 -0.121 0.000 0.907 6 M CB 2.483 35.037 32.600 -0.077 0.000 1.829 6 M HN -0.591 7.586 8.290 -0.132 0.034 0.518 7 S N 0.469 116.042 115.700 -0.212 0.000 3.465 7 S HA -0.260 4.017 4.470 -0.322 0.000 0.849 7 S C -0.604 173.777 174.600 -0.365 0.000 1.200 7 S CA 0.860 58.877 58.200 -0.305 0.000 0.947 7 S CB 0.712 63.726 63.200 -0.310 0.000 0.609 7 S HN 0.074 8.269 8.310 -0.190 0.000 0.300 8 L N 4.197 125.159 121.223 -0.435 0.000 1.970 8 L HA -0.150 3.997 4.340 -0.322 0.000 0.212 8 L C 0.901 177.445 176.870 -0.542 0.000 1.071 8 L CA 2.319 56.900 54.840 -0.432 0.000 0.751 8 L CB 0.156 41.990 42.059 -0.375 0.000 0.889 8 L HN 0.043 8.017 8.230 -0.427 0.000 0.432 9 Q N -4.469 114.766 119.800 -0.943 0.000 2.358 9 Q HA -0.400 3.231 4.340 -1.180 0.000 0.318 9 Q C -1.341 174.405 176.000 -0.422 0.000 1.243 9 Q CA 1.165 56.485 55.803 -0.805 0.000 0.949 9 Q CB -1.546 26.839 28.738 -0.588 0.000 1.224 9 Q HN -0.040 7.379 8.270 -1.419 0.000 0.473 10 D N -3.420 116.753 120.400 -0.379 0.000 2.969 10 D HA 0.087 4.581 4.640 -0.244 0.000 0.317 10 D C -1.426 174.760 176.300 -0.189 0.000 1.650 10 D CA 0.448 54.296 54.000 -0.253 0.000 0.789 10 D CB 0.732 41.393 40.800 -0.232 0.000 1.277 10 D HN -0.282 7.802 8.370 -0.463 0.009 0.463 11 A N -0.125 122.574 122.820 -0.201 0.000 2.833 11 A HA 0.125 4.396 4.320 -0.082 0.000 0.293 11 A C -0.234 177.343 177.584 -0.011 0.000 1.338 11 A CA 0.275 52.230 52.037 -0.138 0.000 0.959 11 A CB -0.188 18.652 19.000 -0.266 0.000 1.094 11 A HN -0.227 7.780 8.150 -0.238 0.000 0.569 12 E N -3.674 116.540 120.200 0.023 0.000 4.153 12 E HA -0.478 3.960 4.350 0.147 0.000 0.193 12 E C 0.955 177.717 176.600 0.271 0.000 1.249 12 E CA 2.635 59.126 56.400 0.152 0.000 2.292 12 E CB -2.197 27.597 29.700 0.157 0.000 1.844 12 E HN 0.394 8.648 8.360 -0.038 0.083 0.356 13 W N 0.790 122.214 121.300 0.207 0.000 2.364 13 W HA -0.292 4.480 4.660 0.188 0.000 0.281 13 W C -0.043 176.596 176.519 0.200 0.000 1.219 13 W CA 2.185 59.654 57.345 0.207 0.000 1.220 13 W CB -0.529 29.087 29.460 0.261 0.000 1.127 13 W HN 0.177 8.605 8.180 0.462 0.030 0.556 14 Y N -1.698 118.325 120.300 -0.463 0.000 2.627 14 Y HA -0.184 4.154 4.550 -0.352 0.000 0.339 14 Y C -0.048 175.786 175.900 -0.109 0.000 1.137 14 Y CA 0.207 58.031 58.100 -0.460 0.000 1.361 14 Y CB -1.773 36.248 38.460 -0.733 0.000 1.180 14 Y HN -0.526 7.440 8.280 -0.278 0.147 0.512 15 W N 1.322 122.652 121.300 0.049 0.000 2.290 15 W HA -0.371 4.307 4.660 0.030 0.000 0.328 15 W C 0.246 176.809 176.519 0.074 0.000 1.272 15 W CA 3.072 60.451 57.345 0.057 0.000 1.262 15 W CB 0.658 30.162 29.460 0.072 0.000 1.151 15 W HN -0.457 7.854 8.180 0.397 0.107 0.473 16 G N -2.056 107.005 108.800 0.435 0.000 2.949 16 G HA2 -0.237 3.962 3.960 0.399 0.000 0.658 16 G HA3 -0.237 3.880 3.960 0.262 0.000 0.658 16 G C -2.103 173.050 174.900 0.422 0.000 1.194 16 G CA -0.923 44.404 45.100 0.377 0.000 1.204 16 G HN -0.305 8.253 8.290 0.446 0.000 0.524 17 D N -2.171 118.446 120.400 0.361 0.000 4.867 17 D HA -0.468 4.440 4.640 0.194 -0.151 0.238 17 D C -0.159 176.267 176.300 0.208 0.000 1.114 17 D CA 0.720 54.866 54.000 0.242 0.000 1.283 17 D CB -0.285 40.638 40.800 0.204 0.000 0.739 17 D HN -0.152 8.455 8.370 0.395 0.000 0.371 18 I N -4.520 116.124 120.570 0.123 0.000 4.025 18 I HA 0.236 4.399 4.170 -0.010 0.000 0.336 18 I C -0.947 175.171 176.117 0.000 0.000 1.390 18 I CA -2.265 59.049 61.300 0.024 0.000 1.099 18 I CB 0.308 38.301 38.000 -0.013 0.000 1.049 18 I HN -0.354 7.924 8.210 0.114 0.000 0.394 19 S N -0.422 115.295 115.700 0.029 0.000 3.373 19 S HA -0.316 4.167 4.470 0.021 0.000 0.728 19 S C 0.893 175.495 174.600 0.004 0.000 0.612 19 S CA 0.718 58.926 58.200 0.013 0.000 1.473 19 S CB 0.109 63.307 63.200 -0.003 0.000 0.990 19 S HN -0.334 7.951 8.310 0.057 0.058 0.936 20 R N 7.027 127.532 120.500 0.007 0.000 2.222 20 R HA -0.539 3.803 4.340 0.004 0.000 0.235 20 R C 1.379 177.675 176.300 -0.007 0.000 1.112 20 R CA 3.934 60.034 56.100 0.001 0.000 0.897 20 R CB -0.098 30.201 30.300 -0.002 0.000 0.882 20 R HN 0.697 8.974 8.270 0.011 0.000 0.429 21 E N -2.687 117.508 120.200 -0.009 0.000 2.095 21 E HA -0.373 3.968 4.350 -0.014 0.000 0.212 21 E C 2.429 179.017 176.600 -0.020 0.000 1.044 21 E CA 3.455 59.846 56.400 -0.014 0.000 0.857 21 E CB -0.890 28.801 29.700 -0.015 0.000 0.764 21 E HN 0.354 8.710 8.360 -0.007 0.000 0.462 22 E N -0.316 119.869 120.200 -0.024 0.000 2.086 22 E HA -0.296 4.217 4.350 -0.041 -0.188 0.200 22 E C 2.976 179.558 176.600 -0.030 0.000 1.012 22 E CA 2.873 59.252 56.400 -0.036 0.000 0.812 22 E CB -0.644 29.027 29.700 -0.048 0.000 0.743 22 E HN -0.372 7.975 8.360 -0.021 0.000 0.453 23 V N -0.441 119.462 119.914 -0.018 0.000 2.527 23 V HA -0.488 3.629 4.120 -0.006 0.000 0.255 23 V C 0.886 176.972 176.094 -0.012 0.000 1.081 23 V CA 3.875 66.169 62.300 -0.009 0.000 1.092 23 V CB 0.012 31.834 31.823 -0.003 0.000 0.673 23 V HN -0.051 8.040 8.190 -0.013 0.091 0.470 24 N N -2.165 116.525 118.700 -0.017 0.000 2.300 24 N HA -0.206 4.525 4.740 -0.015 0.000 0.179 24 N C 0.145 175.642 175.510 -0.022 0.000 1.016 24 N CA 2.893 55.933 53.050 -0.018 0.000 0.876 24 N CB 0.521 38.997 38.487 -0.018 0.000 0.979 24 N HN 0.467 8.651 8.380 -0.018 0.185 0.432 25 E N -3.202 116.980 120.200 -0.030 0.000 2.451 25 E HA 0.093 4.419 4.350 -0.040 0.000 0.194 25 E C 0.705 177.273 176.600 -0.053 0.000 1.027 25 E CA 0.605 56.978 56.400 -0.044 0.000 0.914 25 E CB -0.135 29.533 29.700 -0.054 0.000 1.054 25 E HN 0.130 8.332 8.360 -0.031 0.139 0.461 26 K N -1.277 119.106 120.400 -0.028 0.000 2.312 26 K HA 0.117 4.420 4.320 -0.029 0.000 0.206 26 K C 0.278 176.899 176.600 0.034 0.000 1.121 26 K CA 1.409 57.691 56.287 -0.008 0.000 0.923 26 K CB 2.530 35.026 32.500 -0.008 0.000 1.162 26 K HN -0.142 7.902 8.250 -0.019 0.194 0.478 27 L N -4.639 116.601 121.223 0.028 0.000 3.059 27 L HA 0.385 4.766 4.340 0.069 0.000 0.298 27 L C 0.092 176.976 176.870 0.023 0.000 1.304 27 L CA -1.128 53.739 54.840 0.045 0.000 0.855 27 L CB -0.449 41.643 42.059 0.055 0.000 1.266 27 L HN -0.468 7.769 8.230 0.012 0.000 0.572 28 R N 1.777 122.284 120.500 0.012 0.000 2.153 28 R HA -0.337 4.040 4.340 -0.004 -0.040 0.252 28 R C -0.457 175.847 176.300 0.007 0.000 1.158 28 R CA 2.229 58.330 56.100 0.002 0.000 0.975 28 R CB -0.138 30.159 30.300 -0.004 0.000 0.871 28 R HN -0.105 8.170 8.270 0.008 0.000 0.450 29 D N -6.551 113.861 120.400 0.020 0.000 4.356 29 D HA 0.039 4.690 4.640 0.017 0.000 0.212 29 D C 0.065 176.388 176.300 0.038 0.000 1.367 29 D CA 0.032 54.045 54.000 0.021 0.000 0.791 29 D CB -0.485 40.321 40.800 0.010 0.000 1.503 29 D HN -0.254 8.125 8.370 0.030 0.008 0.800 30 T N -0.469 114.122 114.554 0.062 0.000 2.520 30 T HA -0.118 4.282 4.350 0.084 0.000 0.258 30 T C -0.311 174.437 174.700 0.080 0.000 1.125 30 T CA 2.189 64.344 62.100 0.092 0.000 1.206 30 T CB 0.720 69.674 68.868 0.144 0.000 0.864 30 T HN -0.220 8.058 8.240 0.064 0.000 0.400 31 A N -0.538 122.339 122.820 0.096 0.000 2.566 31 A HA 0.099 4.442 4.320 0.039 0.000 0.290 31 A C -2.465 175.172 177.584 0.088 0.000 1.071 31 A CA -0.792 51.285 52.037 0.067 0.000 0.658 31 A CB 1.737 20.757 19.000 0.034 0.000 1.285 31 A HN -0.563 7.659 8.150 0.120 0.000 0.427 32 D N -2.549 117.885 120.400 0.057 0.000 2.363 32 D HA -0.195 4.625 4.640 0.078 -0.133 0.240 32 D C 1.024 177.405 176.300 0.134 0.000 1.236 32 D CA 0.974 55.021 54.000 0.078 0.000 0.927 32 D CB 0.182 41.008 40.800 0.044 0.000 1.150 32 D HN -0.044 8.342 8.370 0.026 0.000 0.458 33 G N -2.246 106.669 108.800 0.191 0.000 2.189 33 G HA2 -0.432 3.808 3.960 0.154 0.000 0.267 33 G HA3 -0.432 3.601 3.960 0.122 0.000 0.267 33 G C 0.519 175.597 174.900 0.297 0.000 0.975 33 G CA 0.859 46.077 45.100 0.196 0.000 0.644 33 G HN 0.592 9.009 8.290 0.212 0.000 0.537 34 T N 3.913 118.652 114.554 0.307 0.000 3.624 34 T HA 0.152 4.911 4.350 0.241 -0.265 0.231 34 T C -0.485 174.363 174.700 0.246 0.000 0.865 34 T CA -2.206 60.050 62.100 0.259 0.000 0.926 34 T CB -0.982 68.014 68.868 0.213 0.000 1.189 34 T HN -0.627 7.674 8.240 0.247 0.088 0.640 35 F N 1.040 120.950 119.950 -0.066 0.000 2.684 35 F HA -0.274 4.182 4.527 -0.306 -0.112 0.334 35 F C -0.076 175.726 175.800 0.002 0.000 1.170 35 F CA 2.028 59.893 58.000 -0.225 0.000 1.376 35 F CB 0.130 38.835 39.000 -0.493 0.000 1.056 35 F HN -0.512 8.038 8.300 0.588 0.102 0.632 36 L N -2.975 118.325 121.223 0.128 0.000 2.992 36 L HA 0.356 5.181 4.340 0.529 -0.168 0.252 36 L C -2.386 174.671 176.870 0.311 0.000 0.983 36 L CA 0.261 55.297 54.840 0.327 0.000 1.005 36 L CB 3.923 46.079 42.059 0.163 0.000 1.506 36 L HN -0.127 7.958 8.230 -0.242 0.000 0.414 37 V N 2.673 122.773 119.914 0.310 0.000 2.914 37 V HA 0.320 4.531 4.120 0.151 0.000 0.314 37 V C -1.476 174.725 176.094 0.179 0.000 1.084 37 V CA -1.538 60.885 62.300 0.205 0.000 0.963 37 V CB 3.352 35.245 31.823 0.116 0.000 1.025 37 V HN -0.009 8.368 8.190 0.311 0.000 0.432 38 R N 1.624 122.210 120.500 0.143 0.000 2.716 38 R HA 0.222 4.746 4.340 0.137 -0.101 0.186 38 R C -0.740 175.613 176.300 0.088 0.000 0.830 38 R CA -0.093 56.074 56.100 0.111 0.000 1.059 38 R CB 1.936 32.270 30.300 0.056 0.000 1.531 38 R HN 0.490 8.835 8.270 0.125 0.000 0.633 39 D N 1.046 121.473 120.400 0.045 0.000 10.939 39 D HA -0.442 4.156 4.640 -0.071 0.000 0.352 39 D C -2.110 174.155 176.300 -0.059 0.000 3.119 39 D CA 1.444 55.405 54.000 -0.066 0.000 2.660 39 D CB 0.257 40.908 40.800 -0.248 0.000 1.167 39 D HN -0.191 8.212 8.370 0.055 0.000 0.934 40 A N 3.914 126.684 122.820 -0.083 0.000 6.075 40 A HA 0.121 4.409 4.320 -0.054 0.000 0.142 40 A C -1.464 176.085 177.584 -0.058 0.000 0.950 40 A CA -0.307 51.697 52.037 -0.055 0.000 1.278 40 A CB 0.954 19.939 19.000 -0.025 0.000 2.412 40 A HN -0.170 7.915 8.150 -0.108 0.000 1.145 41 S N 0.067 115.746 115.700 -0.035 0.000 2.414 41 S HA -0.220 4.232 4.470 -0.030 0.000 0.238 41 S C 0.490 175.069 174.600 -0.035 0.000 1.055 41 S CA 2.341 60.523 58.200 -0.029 0.000 1.174 41 S CB -0.766 62.424 63.200 -0.016 0.000 1.087 41 S HN 0.148 8.442 8.310 -0.025 0.000 0.428 42 T N -0.715 113.825 114.554 -0.023 0.000 2.866 42 T HA -0.096 4.255 4.350 0.002 0.000 0.241 42 T C -0.232 174.432 174.700 -0.061 0.000 1.018 42 T CA 0.907 63.000 62.100 -0.011 0.000 1.368 42 T CB -0.322 68.560 68.868 0.024 0.000 1.025 42 T HN -0.160 8.071 8.240 -0.014 0.000 0.575 43 K N 5.486 125.836 120.400 -0.085 0.000 2.353 43 K HA 0.075 4.281 4.320 -0.189 0.000 0.206 43 K C 1.341 177.818 176.600 -0.204 0.000 1.191 43 K CA 0.624 56.821 56.287 -0.150 0.000 0.897 43 K CB 0.799 33.223 32.500 -0.127 0.000 1.283 43 K HN 0.224 8.439 8.250 -0.059 0.000 0.477 44 M N -0.782 118.754 119.600 -0.108 0.000 2.088 44 M HA -0.347 4.113 4.480 -0.034 0.000 0.256 44 M C 1.147 177.391 176.300 -0.093 0.000 1.071 44 M CA 3.427 58.693 55.300 -0.057 0.000 1.097 44 M CB 0.549 33.145 32.600 -0.005 0.000 1.315 44 M HN 0.080 8.331 8.290 -0.066 0.000 0.406 45 H N -0.243 118.705 119.070 -0.203 0.000 2.565 45 H HA 0.093 4.382 4.556 -0.444 0.000 0.231 45 H C -1.397 173.729 175.328 -0.336 0.000 1.692 45 H CA -1.145 54.753 56.048 -0.251 0.000 1.269 45 H CB -1.237 28.612 29.762 0.145 0.000 1.615 45 H HN -0.134 8.191 8.280 0.076 0.000 0.554 46 G N -0.166 108.210 108.800 -0.706 0.000 2.386 46 G HA2 -0.095 3.875 3.960 -0.112 0.000 0.302 46 G HA3 -0.095 3.831 3.960 -0.056 0.000 0.302 46 G C -1.940 172.754 174.900 -0.344 0.000 1.629 46 G CA -0.249 44.658 45.100 -0.321 0.000 0.917 46 G HN -0.765 6.790 8.290 -1.163 0.036 0.676 47 D N 1.312 121.718 120.400 0.011 0.000 2.113 47 D HA -0.202 4.533 4.640 0.159 0.000 0.206 47 D C -0.198 176.306 176.300 0.339 0.000 0.979 47 D CA 2.318 56.461 54.000 0.238 0.000 0.862 47 D CB 1.424 42.513 40.800 0.480 0.000 1.013 47 D HN 0.782 9.161 8.370 0.163 0.088 0.455 48 Y N -3.325 117.063 120.300 0.147 0.000 2.979 48 Y HA 0.110 4.720 4.550 0.099 0.000 0.251 48 Y C -1.766 174.165 175.900 0.053 0.000 1.092 48 Y CA -0.376 57.800 58.100 0.127 0.000 1.206 48 Y CB 2.441 41.062 38.460 0.269 0.000 1.254 48 Y HN -0.588 7.888 8.280 0.327 0.000 0.625 49 T N -0.517 114.113 114.554 0.127 0.000 0.541 49 T HA -0.392 3.992 4.350 0.057 0.000 0.774 49 T C -1.769 172.959 174.700 0.047 0.000 0.992 49 T CA 2.313 64.452 62.100 0.065 0.000 4.077 49 T CB 0.322 69.208 68.868 0.030 0.000 2.303 49 T HN -0.409 7.905 8.240 0.125 0.000 0.398 50 L N -2.988 118.222 121.223 -0.022 0.000 2.983 50 L HA 0.415 4.952 4.340 0.007 -0.192 0.249 50 L C -1.895 174.873 176.870 -0.170 0.000 0.963 50 L CA 0.096 54.881 54.840 -0.091 0.000 1.011 50 L CB 3.870 45.807 42.059 -0.203 0.000 1.607 50 L HN -0.147 8.061 8.230 -0.037 0.000 0.447 51 T N 0.960 115.411 114.554 -0.171 0.000 2.812 51 T HA 0.386 4.634 4.350 -0.171 0.000 0.282 51 T C -1.709 172.854 174.700 -0.228 0.000 0.990 51 T CA -1.503 60.501 62.100 -0.160 0.000 0.960 51 T CB 1.745 70.576 68.868 -0.062 0.000 0.948 51 T HN 0.811 8.834 8.240 -0.123 0.144 0.438 52 L N 2.462 123.538 121.223 -0.245 0.000 2.568 52 L HA 0.316 4.591 4.340 -0.108 0.000 0.257 52 L C -2.286 174.513 176.870 -0.119 0.000 1.024 52 L CA -0.933 53.777 54.840 -0.216 0.000 0.854 52 L CB 4.283 46.047 42.059 -0.492 0.000 1.460 52 L HN -0.029 8.070 8.230 -0.218 0.000 0.409 53 R N 0.255 120.730 120.500 -0.041 0.000 2.229 53 R HA 0.237 4.553 4.340 -0.041 0.000 0.332 53 R C -0.339 175.948 176.300 -0.022 0.000 0.989 53 R CA -1.938 54.148 56.100 -0.023 0.000 0.842 53 R CB 0.173 30.480 30.300 0.012 0.000 1.119 53 R HN 0.470 8.745 8.270 0.009 0.000 0.456 54 K N 6.057 126.433 120.400 -0.041 0.000 3.000 54 K HA -0.067 4.233 4.320 -0.033 0.000 0.265 54 K C 0.616 177.205 176.600 -0.019 0.000 1.260 54 K CA -0.991 55.273 56.287 -0.037 0.000 1.209 54 K CB -1.904 30.564 32.500 -0.054 0.000 1.484 54 K HN 0.726 9.026 8.250 -0.051 -0.080 0.283 55 G N 0.335 109.131 108.800 -0.006 0.000 2.198 55 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 55 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.260 55 G C -0.108 174.788 174.900 -0.006 0.000 1.025 55 G CA 0.514 45.611 45.100 -0.004 0.000 0.769 55 G HN 0.196 8.415 8.290 0.004 0.073 0.507 56 G N -2.980 105.816 108.800 -0.006 0.000 2.175 56 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.244 56 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.244 56 G C 0.107 174.999 174.900 -0.013 0.000 0.982 56 G CA -0.069 45.027 45.100 -0.006 0.000 0.641 56 G HN -0.139 8.130 8.290 -0.005 0.018 0.527 57 N N 1.030 119.718 118.700 -0.018 0.000 2.251 57 N HA -0.076 4.652 4.740 -0.019 0.000 0.181 57 N C -0.639 174.854 175.510 -0.030 0.000 1.019 57 N CA 0.790 53.826 53.050 -0.023 0.000 0.862 57 N CB 0.706 39.176 38.487 -0.027 0.000 0.992 57 N HN -0.184 7.981 8.380 -0.019 0.203 0.429 58 N N -2.897 115.781 118.700 -0.037 0.000 3.734 58 N HA -0.350 4.356 4.740 -0.058 0.000 0.293 58 N C -1.328 174.149 175.510 -0.055 0.000 2.048 58 N CA 1.213 54.235 53.050 -0.048 0.000 2.515 58 N CB -0.118 38.347 38.487 -0.037 0.000 0.580 58 N HN 0.093 8.547 8.380 -0.036 -0.096 0.627 59 K N 5.085 125.441 120.400 -0.074 0.000 2.354 59 K HA 0.111 4.394 4.320 -0.062 0.000 0.210 59 K C -0.529 176.022 176.600 -0.082 0.000 1.184 59 K CA 0.795 57.035 56.287 -0.078 0.000 0.880 59 K CB 1.595 34.039 32.500 -0.093 0.000 1.328 59 K HN 0.694 8.890 8.250 -0.090 0.000 0.466 60 S N -4.513 111.124 115.700 -0.105 0.000 4.027 60 S HA -0.086 4.335 4.470 -0.083 0.000 0.102 60 S C -1.533 172.984 174.600 -0.138 0.000 0.835 60 S CA 0.135 58.275 58.200 -0.101 0.000 1.442 60 S CB 0.616 63.766 63.200 -0.084 0.000 1.225 60 S HN 0.104 8.338 8.310 -0.127 0.000 0.336 61 I N -1.041 119.421 120.570 -0.180 0.000 8.979 61 I HA -0.351 3.657 4.170 -0.270 0.000 0.126 61 I C -2.207 173.798 176.117 -0.187 0.000 1.836 61 I CA 0.656 61.808 61.300 -0.247 0.000 2.082 61 I CB -0.453 37.336 38.000 -0.353 0.000 3.879 61 I HN -0.074 8.031 8.210 -0.176 0.000 0.183 62 K N 1.259 121.551 120.400 -0.180 0.000 2.768 62 K HA 0.062 4.334 4.320 -0.061 0.012 0.283 62 K C -2.700 173.895 176.600 -0.008 0.000 1.078 62 K CA -0.338 55.908 56.287 -0.068 0.000 0.920 62 K CB 2.653 35.146 32.500 -0.012 0.000 1.390 62 K HN -0.054 8.059 8.250 -0.228 0.000 0.389 63 I N 1.580 122.203 120.570 0.088 0.000 2.498 63 I HA 0.204 4.465 4.170 0.152 0.000 0.301 63 I C -0.754 175.579 176.117 0.361 0.000 0.984 63 I CA -2.013 59.397 61.300 0.183 0.000 1.204 63 I CB 0.552 38.632 38.000 0.133 0.000 1.362 63 I HN 0.145 8.316 8.210 0.094 0.096 0.471 64 F N 4.800 124.875 119.950 0.209 0.000 2.557 64 F HA 0.257 4.942 4.527 0.163 -0.060 0.336 64 F C -2.082 173.943 175.800 0.375 0.000 1.058 64 F CA -1.922 56.223 58.000 0.242 0.000 0.988 64 F CB 3.973 43.123 39.000 0.251 0.000 1.275 64 F HN 0.294 8.901 8.300 0.512 0.000 0.488 65 H N -2.792 116.245 119.070 -0.054 0.000 2.569 65 H HA 0.844 5.726 4.556 0.202 -0.205 0.357 65 H C -1.637 173.700 175.328 0.014 0.000 1.153 65 H CA -2.095 53.976 56.048 0.038 0.000 1.193 65 H CB 3.269 33.026 29.762 -0.009 0.000 1.602 65 H HN 0.036 8.163 8.280 -0.256 0.000 0.523 66 R N 1.626 122.143 120.500 0.028 0.000 3.953 66 R HA 0.156 4.414 4.340 -0.137 0.000 0.120 66 R C -0.541 175.702 176.300 -0.096 0.000 1.633 66 R CA 0.384 56.453 56.100 -0.051 0.000 1.197 66 R CB 2.257 32.599 30.300 0.070 0.000 1.240 66 R HN 0.237 8.569 8.270 0.102 0.000 0.431 67 D N -0.632 119.756 120.400 -0.020 0.000 2.973 67 D HA 0.073 4.683 4.640 -0.050 0.000 0.263 67 D C 0.638 176.923 176.300 -0.024 0.000 1.266 67 D CA -1.670 52.314 54.000 -0.027 0.000 0.975 67 D CB -1.075 39.722 40.800 -0.005 0.000 1.032 67 D HN 0.057 8.444 8.370 0.027 0.000 0.510 68 G N 2.690 111.470 108.800 -0.033 0.000 2.708 68 G HA2 -0.452 3.512 3.960 0.008 0.000 0.229 68 G HA3 -0.452 3.495 3.960 -0.020 0.000 0.229 68 G C -0.502 174.408 174.900 0.016 0.000 1.236 68 G CA 0.952 46.048 45.100 -0.007 0.000 0.749 68 G HN -0.274 7.919 8.290 -0.074 0.053 0.515 69 K N 2.791 123.179 120.400 -0.020 0.000 2.761 69 K HA 0.086 4.311 4.320 -0.159 0.000 0.286 69 K C 0.522 177.189 176.600 0.112 0.000 1.019 69 K CA -1.071 55.154 56.287 -0.103 0.000 1.070 69 K CB 0.934 33.291 32.500 -0.239 0.000 1.387 69 K HN -0.349 7.793 8.250 -0.022 0.094 0.509 70 Y N -1.836 118.597 120.300 0.223 0.000 2.156 70 Y HA 0.161 5.251 4.550 0.321 -0.347 0.403 70 Y C 1.702 177.771 175.900 0.280 0.000 1.239 70 Y CA 1.638 59.914 58.100 0.294 0.000 1.824 70 Y CB 0.238 38.900 38.460 0.337 0.000 1.526 70 Y HN -0.335 7.697 8.280 -0.575 -0.097 0.750 71 G N -2.884 106.242 108.800 0.543 0.000 2.825 71 G HA2 -0.053 4.100 3.960 0.322 0.000 0.191 71 G HA3 -0.053 4.234 3.960 0.545 0.000 0.191 71 G C -0.993 174.135 174.900 0.381 0.000 1.708 71 G CA 0.268 45.632 45.100 0.439 0.000 0.813 71 G HN -0.629 8.020 8.290 0.597 0.000 0.799 72 F N 0.753 120.853 119.950 0.249 0.000 2.167 72 F HA -0.213 4.357 4.527 0.071 0.000 0.301 72 F C 1.328 177.210 175.800 0.137 0.000 1.066 72 F CA 1.895 59.964 58.000 0.116 0.000 1.285 72 F CB 0.678 39.699 39.000 0.035 0.000 1.032 72 F HN -0.042 8.625 8.300 0.613 0.000 0.495 73 S N -2.744 113.209 115.700 0.422 0.000 3.544 73 S HA -0.171 4.481 4.470 0.303 0.000 0.227 73 S C -0.578 174.201 174.600 0.297 0.000 1.387 73 S CA -0.447 57.962 58.200 0.349 0.000 1.182 73 S CB -1.118 62.311 63.200 0.381 0.000 1.243 73 S HN -0.174 8.382 8.310 0.457 0.028 0.467 74 D N 0.014 120.534 120.400 0.201 0.000 4.044 74 D HA -0.160 4.527 4.640 0.079 0.000 0.242 74 D C -1.644 174.756 176.300 0.167 0.000 1.076 74 D CA 0.823 54.898 54.000 0.125 0.000 1.171 74 D CB -0.185 40.641 40.800 0.044 0.000 0.866 74 D HN 0.246 8.641 8.370 0.191 0.090 0.413 75 P HA 0.102 4.626 4.420 0.174 0.000 0.232 75 P C -1.527 175.827 177.300 0.091 0.000 1.738 75 P CA 0.033 63.211 63.100 0.129 0.000 0.948 75 P CB -1.195 30.563 31.700 0.097 0.000 1.943 76 L N -1.564 119.727 121.223 0.113 0.000 2.467 76 L HA 0.201 4.579 4.340 0.063 0.000 0.213 76 L C 0.913 177.843 176.870 0.101 0.000 1.053 76 L CA 0.914 55.809 54.840 0.091 0.000 0.847 76 L CB 1.670 43.781 42.059 0.086 0.000 1.075 76 L HN 0.260 8.506 8.230 0.154 0.076 0.479 77 T N -1.624 113.019 114.554 0.148 0.000 5.407 77 T HA -0.103 4.279 4.350 0.053 0.000 0.173 77 T C -1.551 173.247 174.700 0.163 0.000 0.770 77 T CA 0.547 62.712 62.100 0.107 0.000 0.397 77 T CB -0.442 68.470 68.868 0.073 0.000 0.473 77 T HN -0.572 7.793 8.240 0.207 0.000 0.194 78 F N 3.654 123.612 119.950 0.013 0.000 2.366 78 F HA 0.183 4.722 4.527 0.020 0.000 0.366 78 F C -2.628 173.090 175.800 -0.137 0.000 1.096 78 F CA -0.662 57.361 58.000 0.038 0.000 1.060 78 F CB 1.288 40.392 39.000 0.173 0.000 1.282 78 F HN -0.312 8.170 8.300 0.304 0.000 0.450 79 N N 3.978 122.417 118.700 -0.435 0.000 2.480 79 N HA 0.160 3.661 4.740 -2.065 0.000 0.281 79 N C -2.062 173.194 175.510 -0.424 0.000 1.381 79 N CA -0.258 52.265 53.050 -0.879 0.000 0.903 79 N CB 1.773 39.859 38.487 -0.669 0.000 1.274 79 N HN 0.324 8.459 8.380 -0.408 0.000 0.505 80 S N -0.202 115.369 115.700 -0.214 0.000 2.423 80 S HA 0.215 4.642 4.470 -0.072 0.000 0.213 80 S C -1.186 173.424 174.600 0.017 0.000 1.131 80 S CA 0.167 58.273 58.200 -0.156 0.000 1.155 80 S CB 1.333 64.340 63.200 -0.322 0.000 1.202 80 S HN -0.297 7.799 8.310 -0.259 0.059 0.441 81 V N 5.846 125.943 119.914 0.305 0.000 3.219 81 V HA -0.096 4.357 4.120 0.554 0.000 0.377 81 V C -0.253 176.027 176.094 0.310 0.000 1.275 81 V CA 0.728 63.306 62.300 0.464 0.000 1.366 81 V CB -1.005 31.264 31.823 0.744 0.000 1.282 81 V HN 0.291 8.668 8.190 0.312 0.000 0.487 82 V N -4.824 115.168 119.914 0.129 0.000 2.908 82 V HA 0.105 4.289 4.120 0.107 0.000 0.240 82 V C 0.861 176.955 176.094 -0.000 0.000 1.117 82 V CA 1.127 63.460 62.300 0.054 0.000 1.133 82 V CB 0.877 32.681 31.823 -0.032 0.000 0.857 82 V HN -1.050 7.065 8.190 0.049 0.104 0.478 83 E N 0.985 121.149 120.200 -0.060 0.000 2.187 83 E HA -0.381 3.711 4.350 -0.431 0.000 0.199 83 E C 1.911 178.403 176.600 -0.179 0.000 1.004 83 E CA 3.517 59.759 56.400 -0.262 0.000 0.813 83 E CB -0.214 29.383 29.700 -0.172 0.000 0.736 83 E HN -0.218 8.107 8.360 -0.058 0.000 0.468 84 L N -6.421 114.925 121.223 0.205 0.000 2.131 84 L HA -0.038 4.677 4.340 0.542 -0.050 0.206 84 L C 1.861 178.866 176.870 0.224 0.000 1.087 84 L CA 2.808 57.893 54.840 0.408 0.000 0.767 84 L CB -0.536 41.848 42.059 0.541 0.000 0.917 84 L HN -0.211 8.172 8.230 0.274 0.012 0.441 85 I N -1.643 119.021 120.570 0.157 0.000 2.479 85 I HA -0.408 3.820 4.170 0.098 0.000 0.258 85 I C 0.559 176.716 176.117 0.066 0.000 1.165 85 I CA 2.802 64.163 61.300 0.103 0.000 1.422 85 I CB -1.308 36.753 38.000 0.101 0.000 1.087 85 I HN -0.003 8.217 8.210 0.173 0.094 0.441 86 N N -3.275 115.450 118.700 0.041 0.000 2.557 86 N HA -0.006 4.760 4.740 0.043 0.000 0.217 86 N C 1.657 177.216 175.510 0.082 0.000 1.062 86 N CA 1.059 54.134 53.050 0.041 0.000 0.863 86 N CB 0.409 38.904 38.487 0.013 0.000 1.390 86 N HN -0.686 7.538 8.380 0.012 0.163 0.445 87 H N 1.061 120.066 119.070 -0.108 0.000 2.299 87 H HA -0.263 4.098 4.556 -0.325 0.000 0.302 87 H C 0.673 175.671 175.328 -0.550 0.000 1.078 87 H CA 2.299 58.109 56.048 -0.396 0.000 1.323 87 H CB 1.112 30.561 29.762 -0.522 0.000 1.381 87 H HN 0.276 8.386 8.280 0.003 0.171 0.498 88 Y N -2.909 117.506 120.300 0.191 0.000 2.863 88 Y HA 0.199 4.800 4.550 0.086 0.000 0.348 88 Y C -1.514 174.427 175.900 0.068 0.000 1.028 88 Y CA -1.141 57.024 58.100 0.107 0.000 1.213 88 Y CB -0.901 37.622 38.460 0.105 0.000 1.120 88 Y HN 0.020 8.287 8.280 0.241 0.157 0.598 89 R N 1.722 122.304 120.500 0.136 0.000 2.997 89 R HA 0.111 4.499 4.340 0.080 0.000 0.358 89 R C -1.689 174.646 176.300 0.058 0.000 1.191 89 R CA -0.396 55.753 56.100 0.081 0.000 1.113 89 R CB -0.388 29.946 30.300 0.056 0.000 1.433 89 R HN 0.286 8.613 8.270 0.095 0.000 0.584 90 N N 1.081 119.826 118.700 0.074 0.000 7.634 90 N HA -0.060 4.699 4.740 0.032 0.000 0.083 90 N C -1.903 173.645 175.510 0.062 0.000 0.871 90 N CA 1.090 54.169 53.050 0.048 0.000 1.287 90 N CB 0.438 38.943 38.487 0.031 0.000 1.222 90 N HN -0.444 7.945 8.380 0.112 0.058 1.355 91 E N 3.855 124.083 120.200 0.046 0.000 1.081 91 E HA -0.059 4.309 4.350 0.031 0.000 0.201 91 E C -1.590 175.023 176.600 0.021 0.000 0.823 91 E CA 0.380 56.805 56.400 0.042 0.000 0.808 91 E CB 1.061 30.806 29.700 0.076 0.000 4.889 91 E HN 0.356 8.736 8.360 0.032 0.000 0.550 92 S N -1.817 113.894 115.700 0.019 0.000 3.646 92 S HA -0.197 4.278 4.470 0.008 0.000 0.756 92 S C -1.577 173.015 174.600 -0.013 0.000 1.075 92 S CA 0.669 58.870 58.200 0.003 0.000 1.133 92 S CB -0.350 62.846 63.200 -0.006 0.000 0.627 92 S HN -0.387 7.941 8.310 0.030 0.000 0.435 93 L N -6.526 114.686 121.223 -0.018 0.000 3.229 93 L HA 0.440 4.737 4.340 -0.071 0.000 0.286 93 L C -0.259 176.582 176.870 -0.048 0.000 1.239 93 L CA -0.393 54.423 54.840 -0.040 0.000 1.035 93 L CB 0.032 42.083 42.059 -0.013 0.000 1.408 93 L HN 0.022 8.247 8.230 -0.008 0.000 0.593 94 A N 1.104 123.899 122.820 -0.042 0.000 3.065 94 A HA -0.126 4.357 4.320 -0.022 -0.176 0.262 94 A C 0.106 177.639 177.584 -0.086 0.000 1.901 94 A CA 0.167 52.180 52.037 -0.041 0.000 1.475 94 A CB -1.891 17.092 19.000 -0.028 0.000 0.984 94 A HN -0.281 7.795 8.150 -0.034 0.053 0.618 95 Q N 3.916 123.635 119.800 -0.135 0.000 1.858 95 Q HA -0.291 3.866 4.340 -0.306 0.000 0.224 95 Q C 1.313 177.114 176.000 -0.332 0.000 0.980 95 Q CA 2.392 57.996 55.803 -0.332 0.000 0.868 95 Q CB 0.348 28.781 28.738 -0.508 0.000 0.920 95 Q HN 0.443 8.601 8.270 -0.094 0.056 0.427 96 Y N -3.536 116.772 120.300 0.012 0.000 2.500 96 Y HA 0.071 4.626 4.550 0.008 0.000 0.270 96 Y C -0.719 175.193 175.900 0.020 0.000 1.134 96 Y CA 0.013 58.123 58.100 0.017 0.000 1.293 96 Y CB 0.554 39.032 38.460 0.030 0.000 1.063 96 Y HN 0.266 8.517 8.280 -0.048 0.000 0.534 97 N N -3.783 114.996 118.700 0.131 0.000 3.340 97 N HA 0.199 4.973 4.740 0.056 0.000 0.234 97 N C -2.288 173.244 175.510 0.035 0.000 1.196 97 N CA -0.531 52.565 53.050 0.077 0.000 0.958 97 N CB 1.354 39.897 38.487 0.092 0.000 1.608 97 N HN -0.749 7.646 8.380 0.093 0.041 0.515 98 P HA 0.202 4.617 4.420 -0.009 0.000 0.249 98 P C -1.000 176.285 177.300 -0.025 0.000 1.686 98 P CA -0.391 62.704 63.100 -0.008 0.000 0.873 98 P CB -1.581 30.113 31.700 -0.011 0.000 1.828 99 K N -1.914 118.469 120.400 -0.029 0.000 2.113 99 K HA -0.304 3.963 4.320 -0.089 0.000 0.208 99 K C -0.305 176.237 176.600 -0.097 0.000 1.047 99 K CA 2.311 58.548 56.287 -0.082 0.000 0.928 99 K CB -0.548 31.879 32.500 -0.122 0.000 0.716 99 K HN 0.376 8.519 8.250 -0.002 0.106 0.446 100 L N -2.500 118.686 121.223 -0.063 0.000 3.327 100 L HA 0.047 4.335 4.340 -0.086 0.000 0.168 100 L C -1.116 175.749 176.870 -0.008 0.000 1.196 100 L CA 0.361 55.170 54.840 -0.052 0.000 0.848 100 L CB 2.214 44.246 42.059 -0.044 0.000 1.459 100 L HN -0.482 7.724 8.230 -0.037 0.002 0.574 101 D N -3.019 117.388 120.400 0.012 0.000 2.894 101 D HA -0.254 4.398 4.640 0.020 0.000 0.216 101 D C -0.392 175.921 176.300 0.022 0.000 1.245 101 D CA 1.492 55.500 54.000 0.014 0.000 0.728 101 D CB -1.229 39.569 40.800 -0.003 0.000 0.924 101 D HN -0.031 8.348 8.370 0.015 0.000 0.395 102 V N -7.741 112.205 119.914 0.053 0.000 3.440 102 V HA 0.141 4.279 4.120 0.030 0.000 0.301 102 V C -1.158 174.978 176.094 0.069 0.000 1.555 102 V CA -1.160 61.175 62.300 0.058 0.000 1.095 102 V CB 0.563 32.424 31.823 0.062 0.000 0.936 102 V HN -0.521 7.720 8.190 0.085 0.000 0.452 103 K N -2.520 117.905 120.400 0.042 0.000 4.264 103 K HA -0.260 4.033 4.320 -0.045 0.000 0.718 103 K C -1.679 174.799 176.600 -0.204 0.000 2.569 103 K CA 0.792 57.057 56.287 -0.037 0.000 1.807 103 K CB 0.302 32.791 32.500 -0.020 0.000 2.662 103 K HN -0.519 7.758 8.250 0.045 0.000 0.202 104 L N -5.656 115.319 121.223 -0.412 0.000 3.616 104 L HA 0.297 4.126 4.340 -1.088 -0.142 0.363 104 L C -1.871 174.753 176.870 -0.412 0.000 1.344 104 L CA 0.797 55.035 54.840 -1.003 0.000 0.997 104 L CB 0.635 41.378 42.059 -2.192 0.000 1.365 104 L HN 0.059 8.150 8.230 -0.233 0.000 0.607 105 L N -7.224 113.916 121.223 -0.138 0.000 2.592 105 L HA 0.240 4.576 4.340 -0.007 0.000 0.227 105 L C -0.743 176.194 176.870 0.111 0.000 1.127 105 L CA 0.290 55.130 54.840 0.001 0.000 0.884 105 L CB -0.182 41.892 42.059 0.026 0.000 1.065 105 L HN -0.480 7.689 8.230 -0.101 0.000 0.457 106 Y N 2.149 122.411 120.300 -0.064 0.000 2.747 106 Y HA 0.496 5.048 4.550 0.003 0.000 0.362 106 Y C -2.795 173.127 175.900 0.038 0.000 1.026 106 Y CA -4.130 53.965 58.100 -0.008 0.000 1.135 106 Y CB 0.475 38.931 38.460 -0.007 0.000 1.175 106 Y HN -0.659 7.607 8.280 0.081 0.062 0.643 107 P HA 0.065 4.585 4.420 0.167 0.000 0.275 107 P C -0.638 176.620 177.300 -0.070 0.000 1.227 107 P CA -1.128 62.018 63.100 0.076 0.000 0.781 107 P CB 1.040 32.872 31.700 0.220 0.000 0.906 108 V N 2.716 122.651 119.914 0.034 0.000 2.469 108 V HA -0.397 3.642 4.120 -0.135 0.000 0.251 108 V C 0.474 176.551 176.094 -0.028 0.000 1.064 108 V CA 2.510 64.796 62.300 -0.025 0.000 1.066 108 V CB 0.396 32.257 31.823 0.063 0.000 0.667 108 V HN -0.259 8.023 8.190 0.153 0.000 0.461 109 S N -4.824 110.934 115.700 0.096 0.000 3.486 109 S HA -0.422 4.261 4.470 0.356 0.000 0.371 109 S C -0.890 173.774 174.600 0.107 0.000 1.001 109 S CA 0.845 59.153 58.200 0.181 0.000 1.164 109 S CB -0.784 62.470 63.200 0.090 0.000 0.911 109 S HN -0.006 8.401 8.310 0.176 0.009 0.472 110 K N -2.678 117.673 120.400 -0.081 0.000 5.760 110 K HA -0.380 3.746 4.320 -0.323 0.000 0.466 110 K C -0.982 175.574 176.600 -0.074 0.000 1.122 110 K CA 0.517 56.610 56.287 -0.323 0.000 1.299 110 K CB -0.424 31.459 32.500 -1.028 0.000 1.874 110 K HN -0.124 8.103 8.250 -0.041 -0.002 0.355 111 Y N 0.000 120.219 120.300 -0.134 0.000 2.660 111 Y HA 0.000 4.514 4.550 -0.060 0.000 0.201 111 Y CA 0.000 58.053 58.100 -0.079 0.000 1.940 111 Y CB 0.000 38.418 38.460 -0.070 0.000 1.050 111 Y HN 0.000 8.343 8.280 0.104 0.000 0.758