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 1xpn_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSHHHHHHS SGLVPRGSHM ASNPNDLPDF PEHEYAATQQ VGGGVINGDL DATA SEQUENCE YLTSASGAIQ KGTNTKVALE PATSYMKAYY AKFGNLDAAK RDPDVQPPVL DATA SEQUENCE DPRRATYVRE ATTDQNGRFD FDHIPNGTYY ISSELTWSAQ SDGKTITEGG DATA SEQUENCE TVTKLVTVSG SQPQKVLLTR 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 3.971 3.960 0.019 0.000 0.244 1 G C 0.000 174.921 174.900 0.036 0.000 0.946 1 G CA 0.000 45.114 45.100 0.023 0.000 0.502 2 S N 2.366 118.092 115.700 0.044 0.000 2.348 2 S HA -0.112 4.388 4.470 0.049 0.000 0.221 2 S C 0.653 175.316 174.600 0.104 0.000 1.033 2 S CA 0.988 59.223 58.200 0.059 0.000 1.010 2 S CB 0.173 63.400 63.200 0.046 0.000 0.891 2 S HN 0.171 8.504 8.310 0.038 0.000 0.442 3 S N 0.802 116.575 115.700 0.122 0.000 3.551 3 S HA -0.173 4.391 4.470 0.157 0.000 0.547 3 S C -1.126 173.657 174.600 0.305 0.000 0.699 3 S CA -0.059 58.253 58.200 0.187 0.000 1.399 3 S CB 0.288 63.575 63.200 0.145 0.000 0.922 3 S HN -0.241 8.126 8.310 0.096 0.000 0.818 4 H N 5.150 124.291 119.070 0.118 0.000 2.846 4 H HA 0.200 4.736 4.556 -0.033 0.000 0.278 4 H C -0.594 174.799 175.328 0.108 0.000 1.117 4 H CA 0.058 56.133 56.048 0.045 0.000 1.406 4 H CB -0.143 29.627 29.762 0.013 0.000 1.445 4 H HN 0.135 8.576 8.280 0.268 0.000 0.469 5 H N 3.517 122.489 119.070 -0.163 0.000 2.960 5 H HA 0.280 4.825 4.556 -0.019 0.000 0.303 5 H C -1.217 174.038 175.328 -0.122 0.000 1.412 5 H CA -0.877 55.126 56.048 -0.075 0.000 1.227 5 H CB 1.350 31.120 29.762 0.015 0.000 1.912 5 H HN 0.530 8.510 8.280 -0.500 0.000 0.583 6 H N -2.264 116.798 119.070 -0.013 0.000 3.247 6 H HA 0.210 4.627 4.556 -0.231 0.000 0.262 6 H C -0.688 174.677 175.328 0.061 0.000 1.646 6 H CA -1.283 54.722 56.048 -0.071 0.000 1.600 6 H CB 2.115 31.871 29.762 -0.010 0.000 1.635 6 H HN 0.030 8.563 8.280 0.423 0.000 0.915 7 H N -0.543 118.676 119.070 0.249 0.000 2.803 7 H HA 0.024 4.722 4.556 0.236 0.000 0.330 7 H C -0.081 175.373 175.328 0.210 0.000 1.057 7 H CA 0.714 56.885 56.048 0.204 0.000 1.458 7 H CB 0.535 30.363 29.762 0.111 0.000 1.470 7 H HN 0.205 8.678 8.280 0.323 0.000 0.560 8 H N 3.971 123.181 119.070 0.234 0.000 2.462 8 H HA -0.201 4.429 4.556 0.123 0.000 0.292 8 H C -0.809 174.637 175.328 0.197 0.000 1.049 8 H CA 1.085 57.226 56.048 0.155 0.000 1.334 8 H CB 0.672 30.488 29.762 0.090 0.000 1.404 8 H HN 0.217 8.746 8.280 0.416 0.000 0.544 9 H N -0.916 118.238 119.070 0.141 0.000 3.108 9 H HA 0.087 4.630 4.556 -0.022 0.000 0.329 9 H C -1.638 173.716 175.328 0.044 0.000 0.978 9 H CA -0.987 55.089 56.048 0.046 0.000 1.413 9 H CB 1.295 31.087 29.762 0.051 0.000 1.670 9 H HN -0.358 8.124 8.280 0.367 0.019 0.512 10 S N 6.271 121.732 115.700 -0.397 0.000 2.465 10 S HA 0.042 4.320 4.470 -0.320 0.000 0.280 10 S C -0.291 174.012 174.600 -0.494 0.000 1.232 10 S CA 0.736 58.714 58.200 -0.371 0.000 1.066 10 S CB 0.642 63.696 63.200 -0.243 0.000 0.929 10 S HN 0.335 8.428 8.310 -0.362 0.000 0.494 11 S N 5.456 120.977 115.700 -0.299 0.000 2.650 11 S HA 0.070 4.441 4.470 -0.165 0.000 0.240 11 S C -0.462 174.064 174.600 -0.122 0.000 1.007 11 S CA -0.535 57.574 58.200 -0.152 0.000 0.984 11 S CB 0.623 63.829 63.200 0.011 0.000 0.910 11 S HN 0.442 8.569 8.310 -0.305 0.000 0.509 12 G N 1.671 110.373 108.800 -0.164 0.000 2.536 12 G HA2 -0.263 3.627 3.960 -0.117 0.000 0.277 12 G HA3 -0.263 3.646 3.960 -0.085 0.000 0.277 12 G C -0.330 174.507 174.900 -0.105 0.000 1.155 12 G CA 0.786 45.816 45.100 -0.117 0.000 0.960 12 G HN -0.431 7.662 8.290 -0.222 0.064 0.544 13 L N 2.345 123.529 121.223 -0.065 0.000 2.185 13 L HA 0.194 4.508 4.340 -0.044 0.000 0.198 13 L C -0.011 176.837 176.870 -0.036 0.000 1.079 13 L CA 1.201 56.014 54.840 -0.045 0.000 0.780 13 L CB 1.141 43.180 42.059 -0.032 0.000 0.955 13 L HN 0.038 8.232 8.230 -0.059 0.000 0.462 14 V N -1.335 118.558 119.914 -0.035 0.000 2.775 14 V HA 0.257 4.370 4.120 -0.013 0.000 0.295 14 V C -2.718 173.362 176.094 -0.022 0.000 1.226 14 V CA -2.242 60.045 62.300 -0.021 0.000 0.934 14 V CB 2.262 34.075 31.823 -0.016 0.000 1.056 14 V HN -0.473 7.691 8.190 -0.043 0.000 0.436 15 P HA 0.250 4.666 4.420 -0.006 0.000 0.271 15 P C -0.855 176.438 177.300 -0.011 0.000 1.216 15 P CA -0.082 63.018 63.100 -0.001 0.000 0.776 15 P CB 0.246 31.960 31.700 0.023 0.000 0.881 16 R N -0.660 119.829 120.500 -0.018 0.000 2.448 16 R HA -0.185 4.139 4.340 -0.027 0.000 0.336 16 R C -0.820 175.462 176.300 -0.031 0.000 1.038 16 R CA -0.305 55.781 56.100 -0.024 0.000 0.804 16 R CB -0.745 29.543 30.300 -0.019 0.000 2.350 16 R HN 0.587 8.847 8.270 -0.017 0.000 0.484 17 G N 0.550 109.324 108.800 -0.043 0.000 2.494 17 G HA2 0.082 4.020 3.960 -0.038 0.000 0.308 17 G HA3 0.082 4.009 3.960 -0.056 0.000 0.308 17 G C -1.903 172.953 174.900 -0.074 0.000 1.263 17 G CA 0.031 45.100 45.100 -0.052 0.000 0.840 17 G HN -0.214 8.048 8.290 -0.046 0.000 0.479 18 S N -1.718 113.928 115.700 -0.091 0.000 2.843 18 S HA 0.533 4.893 4.470 -0.184 0.000 0.301 18 S C -0.708 173.789 174.600 -0.170 0.000 1.206 18 S CA -0.792 57.334 58.200 -0.123 0.000 0.875 18 S CB 2.401 65.589 63.200 -0.019 0.000 1.248 18 S HN 0.014 8.279 8.310 -0.074 0.000 0.555 19 H N 1.299 120.380 119.070 0.017 0.000 2.366 19 H HA 0.162 4.726 4.556 0.013 0.000 0.330 19 H C 0.644 175.981 175.328 0.015 0.000 1.142 19 H CA 1.570 57.628 56.048 0.016 0.000 1.655 19 H CB 1.211 30.983 29.762 0.018 0.000 1.519 19 H HN 0.146 8.467 8.280 0.068 0.000 0.609 20 M N -0.616 119.093 119.600 0.181 0.000 1.949 20 M HA 0.189 4.713 4.480 0.073 0.000 0.234 20 M C -0.593 175.754 176.300 0.078 0.000 0.855 20 M CA -0.242 55.115 55.300 0.095 0.000 0.800 20 M CB -0.425 32.219 32.600 0.073 0.000 1.697 20 M HN -0.277 8.156 8.290 0.239 0.000 0.357 21 A N 3.143 126.004 122.820 0.068 0.000 3.870 21 A HA -0.326 4.025 4.320 0.051 0.000 0.246 21 A C -0.316 177.315 177.584 0.079 0.000 0.669 21 A CA 1.520 53.593 52.037 0.061 0.000 1.221 21 A CB -1.755 17.276 19.000 0.053 0.000 1.199 21 A HN 0.610 8.796 8.150 0.060 0.000 0.685 22 S N 1.142 116.903 115.700 0.101 0.000 2.516 22 S HA -0.117 4.415 4.470 0.103 0.000 0.282 22 S C -0.785 173.911 174.600 0.160 0.000 1.286 22 S CA -0.361 57.913 58.200 0.122 0.000 1.066 22 S CB 0.331 63.596 63.200 0.109 0.000 0.884 22 S HN -0.145 8.064 8.310 0.101 0.162 0.491 23 N N 3.969 122.750 118.700 0.135 0.000 2.525 23 N HA 0.094 4.886 4.740 0.086 0.000 0.271 23 N C -0.369 175.242 175.510 0.168 0.000 1.194 23 N CA -1.840 51.282 53.050 0.120 0.000 0.964 23 N CB -0.200 38.346 38.487 0.098 0.000 1.126 23 N HN 0.358 8.812 8.380 0.125 0.000 0.452 24 P HA 0.283 4.854 4.420 0.252 0.000 0.254 24 P C -1.223 176.156 177.300 0.132 0.000 1.494 24 P CA -0.547 62.637 63.100 0.140 0.000 0.961 24 P CB 0.335 32.035 31.700 0.000 0.000 1.493 25 N N -0.265 118.529 118.700 0.157 0.000 2.039 25 N HA -0.248 4.601 4.740 0.182 0.000 0.193 25 N C 0.558 176.175 175.510 0.178 0.000 1.044 25 N CA 1.638 54.815 53.050 0.212 0.000 0.847 25 N CB 0.027 38.739 38.487 0.376 0.000 1.030 25 N HN -0.386 7.996 8.380 0.157 0.092 0.422 26 D N -5.267 115.227 120.400 0.158 0.000 3.012 26 D HA -0.284 4.406 4.640 0.083 0.000 0.222 26 D C -0.084 176.243 176.300 0.045 0.000 1.167 26 D CA 1.545 55.601 54.000 0.093 0.000 0.854 26 D CB -0.830 40.022 40.800 0.086 0.000 1.107 26 D HN 0.011 8.492 8.370 0.185 0.000 0.421 27 L N -2.103 119.127 121.223 0.011 0.000 2.130 27 L HA 0.195 4.506 4.340 -0.048 0.000 0.200 27 L C -1.794 174.991 176.870 -0.143 0.000 1.075 27 L CA 1.824 56.590 54.840 -0.124 0.000 0.768 27 L CB -0.185 41.649 42.059 -0.375 0.000 0.933 27 L HN 0.101 8.336 8.230 0.083 0.045 0.451 28 P HA 0.140 4.543 4.420 -0.028 0.000 0.282 28 P C -1.079 176.217 177.300 -0.007 0.000 1.249 28 P CA -0.817 62.264 63.100 -0.031 0.000 0.806 28 P CB 1.097 32.833 31.700 0.060 0.000 0.984 29 D N 0.415 120.777 120.400 -0.063 0.000 2.183 29 D HA -0.103 4.441 4.640 -0.160 0.000 0.205 29 D C 0.085 176.213 176.300 -0.287 0.000 0.962 29 D CA 1.402 55.259 54.000 -0.238 0.000 0.849 29 D CB 0.456 40.991 40.800 -0.441 0.000 0.978 29 D HN 0.352 8.712 8.370 -0.017 0.000 0.488 30 F N -0.995 118.974 119.950 0.032 0.000 2.370 30 F HA 0.136 4.681 4.527 0.029 0.000 0.324 30 F C -2.046 173.791 175.800 0.062 0.000 1.116 30 F CA -3.113 54.909 58.000 0.036 0.000 1.123 30 F CB 0.225 39.241 39.000 0.027 0.000 1.238 30 F HN -0.441 7.923 8.300 0.107 0.000 0.536 31 P HA 0.010 4.538 4.420 0.180 0.000 0.264 31 P C -0.484 176.945 177.300 0.216 0.000 1.193 31 P CA 0.099 63.318 63.100 0.199 0.000 0.763 31 P CB 0.340 32.134 31.700 0.157 0.000 0.810 32 E N 4.533 124.877 120.200 0.240 0.000 2.403 32 E HA -0.033 4.396 4.350 0.132 0.000 0.188 32 E C 0.721 177.439 176.600 0.195 0.000 1.056 32 E CA -0.062 56.472 56.400 0.225 0.000 0.892 32 E CB -0.516 29.438 29.700 0.422 0.000 1.049 32 E HN 0.313 8.822 8.360 0.248 0.000 0.465 33 H N 2.314 121.448 119.070 0.107 0.000 2.496 33 H HA -0.260 4.376 4.556 0.133 0.000 0.296 33 H C 1.168 176.522 175.328 0.044 0.000 1.107 33 H CA 3.248 59.352 56.048 0.092 0.000 1.263 33 H CB -0.042 29.759 29.762 0.064 0.000 1.369 33 H HN 0.121 8.464 8.280 0.296 0.115 0.541 34 E N -1.976 118.163 120.200 -0.100 0.000 2.463 34 E HA -0.336 3.901 4.350 -0.187 0.000 0.201 34 E C 1.929 178.341 176.600 -0.314 0.000 1.045 34 E CA 1.397 57.666 56.400 -0.220 0.000 0.872 34 E CB -1.507 28.073 29.700 -0.199 0.000 0.797 34 E HN 0.301 8.578 8.360 -0.006 0.079 0.538 35 Y N 0.352 120.546 120.300 -0.176 0.000 2.181 35 Y HA -0.371 4.005 4.550 -0.291 0.000 0.288 35 Y C 1.225 177.048 175.900 -0.130 0.000 1.146 35 Y CA 3.494 61.491 58.100 -0.172 0.000 1.164 35 Y CB -0.443 37.989 38.460 -0.047 0.000 0.982 35 Y HN -0.507 7.622 8.280 -0.149 0.062 0.515 36 A N -5.649 117.159 122.820 -0.019 0.000 2.462 36 A HA 0.378 4.775 4.320 0.128 0.000 0.261 36 A C -1.172 176.326 177.584 -0.142 0.000 1.323 36 A CA -1.105 50.913 52.037 -0.031 0.000 0.913 36 A CB -1.081 17.887 19.000 -0.052 0.000 1.028 36 A HN -0.367 7.712 8.150 -0.118 0.000 0.511 37 A N -1.736 120.969 122.820 -0.192 0.000 2.055 37 A HA 0.148 4.420 4.320 -0.079 0.000 0.205 37 A C 0.572 178.105 177.584 -0.085 0.000 1.235 37 A CA 0.888 52.847 52.037 -0.130 0.000 0.822 37 A CB 1.157 20.080 19.000 -0.127 0.000 0.903 37 A HN -0.571 7.235 8.150 -0.207 0.219 0.473 38 T N 2.584 117.055 114.554 -0.138 0.000 3.455 38 T HA -0.034 4.257 4.350 -0.098 0.000 0.286 38 T C -1.047 173.651 174.700 -0.003 0.000 1.157 38 T CA 0.721 62.745 62.100 -0.127 0.000 1.090 38 T CB -1.963 66.745 68.868 -0.266 0.000 1.112 38 T HN -0.639 7.483 8.240 -0.197 0.000 0.779 39 Q N 6.793 126.615 119.800 0.037 0.000 2.275 39 Q HA 0.269 4.690 4.340 0.134 0.000 0.266 39 Q C -1.566 174.473 176.000 0.065 0.000 1.002 39 Q CA -0.240 55.615 55.803 0.087 0.000 0.761 39 Q CB 2.488 31.278 28.738 0.087 0.000 1.255 39 Q HN -0.265 7.984 8.270 0.009 0.026 0.446 40 Q N 4.082 123.930 119.800 0.080 0.000 2.887 40 Q HA 0.020 4.395 4.340 0.059 0.000 0.211 40 Q C -2.048 174.002 176.000 0.082 0.000 0.879 40 Q CA -0.077 55.767 55.803 0.067 0.000 1.210 40 Q CB 1.888 30.657 28.738 0.052 0.000 1.663 40 Q HN 0.238 8.569 8.270 0.102 0.000 0.582 41 V N 4.392 124.356 119.914 0.083 0.000 2.441 41 V HA -0.103 4.092 4.120 0.124 0.000 0.279 41 V C -1.058 175.099 176.094 0.105 0.000 0.990 41 V CA 0.797 63.163 62.300 0.110 0.000 1.116 41 V CB 0.228 32.117 31.823 0.109 0.000 0.977 41 V HN 0.190 8.424 8.190 0.072 0.000 0.470 42 G N 6.418 115.282 108.800 0.106 0.000 2.667 42 G HA2 0.371 4.351 3.960 0.033 0.000 0.310 42 G HA3 0.371 4.505 3.960 0.043 -0.148 0.310 42 G C -1.988 172.893 174.900 -0.031 0.000 1.259 42 G CA -1.046 44.081 45.100 0.046 0.000 1.019 42 G HN -0.302 8.066 8.290 0.130 0.000 0.496 43 G N -2.672 106.073 108.800 -0.090 0.000 4.238 43 G HA2 0.204 3.920 3.960 -0.406 0.000 0.292 43 G HA3 0.204 4.037 3.960 -0.211 0.000 0.292 43 G C -0.696 174.135 174.900 -0.115 0.000 1.036 43 G CA -0.548 44.426 45.100 -0.210 0.000 0.812 43 G HN 0.185 8.447 8.290 -0.046 0.000 0.489 44 G N 1.019 109.787 108.800 -0.055 0.000 2.494 44 G HA2 0.001 4.125 3.960 -0.023 0.000 0.297 44 G HA3 0.001 3.950 3.960 -0.019 0.000 0.297 44 G C -0.709 174.190 174.900 -0.003 0.000 0.971 44 G CA -0.248 44.837 45.100 -0.025 0.000 1.378 44 G HN -0.309 8.004 8.290 -0.040 -0.047 0.456 45 V N 7.664 127.577 119.914 -0.001 0.000 2.415 45 V HA -0.132 4.200 4.120 0.068 -0.171 0.267 45 V C -0.794 175.333 176.094 0.055 0.000 1.042 45 V CA -0.248 62.072 62.300 0.035 0.000 1.000 45 V CB -0.404 31.425 31.823 0.011 0.000 1.015 45 V HN -0.458 7.720 8.190 -0.020 0.000 0.478 46 I N 8.683 129.325 120.570 0.121 0.000 2.336 46 I HA 0.095 4.415 4.170 0.071 -0.108 0.292 46 I C -1.421 174.756 176.117 0.100 0.000 0.991 46 I CA -0.721 60.659 61.300 0.133 0.000 1.227 46 I CB 1.368 39.501 38.000 0.222 0.000 1.366 46 I HN -0.154 8.056 8.210 0.185 0.110 0.466 47 N N 7.386 126.085 118.700 -0.001 0.000 2.626 47 N HA 0.383 5.049 4.740 -0.124 0.000 0.242 47 N C -1.177 174.197 175.510 -0.228 0.000 1.005 47 N CA -0.472 52.515 53.050 -0.105 0.000 0.905 47 N CB 1.648 40.091 38.487 -0.074 0.000 1.128 47 N HN 0.920 9.186 8.380 0.003 0.116 0.512 48 G N 1.723 110.180 108.800 -0.573 0.000 2.416 48 G HA2 0.376 4.352 3.960 -0.376 0.000 0.324 48 G HA3 0.376 3.504 3.960 -1.388 0.000 0.324 48 G C -3.082 171.279 174.900 -0.898 0.000 1.194 48 G CA -1.202 43.379 45.100 -0.865 0.000 0.922 48 G HN 0.724 8.609 8.290 -0.676 0.000 0.467 49 D N 4.383 124.602 120.400 -0.302 0.000 2.303 49 D HA 0.383 4.957 4.640 -0.109 0.000 0.236 49 D C -1.928 174.521 176.300 0.248 0.000 1.068 49 D CA -1.093 52.890 54.000 -0.029 0.000 0.830 49 D CB 3.447 44.288 40.800 0.068 0.000 1.109 49 D HN 0.607 8.882 8.370 -0.158 0.000 0.496 50 L N 6.980 128.405 121.223 0.336 0.000 2.264 50 L HA 0.300 4.848 4.340 0.346 0.000 0.289 50 L C -2.424 174.706 176.870 0.433 0.000 1.044 50 L CA -0.519 54.563 54.840 0.403 0.000 0.807 50 L CB 1.733 44.062 42.059 0.450 0.000 1.192 50 L HN 0.332 8.716 8.230 0.256 0.000 0.425 51 Y N 1.038 121.398 120.300 0.101 0.000 2.294 51 Y HA 0.295 5.200 4.550 0.029 -0.337 0.316 51 Y C -2.651 173.284 175.900 0.058 0.000 1.265 51 Y CA -1.661 56.465 58.100 0.044 0.000 1.149 51 Y CB 0.640 39.102 38.460 0.003 0.000 1.293 51 Y HN 0.515 8.822 8.280 0.044 0.000 0.416 52 L N 4.452 125.702 121.223 0.046 0.000 2.275 52 L HA 0.269 4.597 4.340 -0.021 0.000 0.288 52 L C -0.107 176.791 176.870 0.045 0.000 1.046 52 L CA -1.199 53.684 54.840 0.071 0.000 0.805 52 L CB 1.204 43.463 42.059 0.334 0.000 1.193 52 L HN 0.530 8.804 8.230 0.073 0.000 0.426 53 T N 5.579 120.179 114.554 0.076 0.000 2.780 53 T HA 0.138 4.650 4.350 0.041 -0.137 0.294 53 T C -0.166 174.632 174.700 0.163 0.000 0.949 53 T CA 0.250 62.403 62.100 0.088 0.000 1.074 53 T CB 0.079 69.007 68.868 0.100 0.000 0.910 53 T HN -0.230 8.035 8.240 0.043 0.000 0.501 54 S N 5.943 121.725 115.700 0.138 0.000 2.600 54 S HA -0.145 4.626 4.470 0.501 0.000 0.265 54 S C 1.663 176.369 174.600 0.177 0.000 1.325 54 S CA -0.531 57.840 58.200 0.285 0.000 1.002 54 S CB 1.058 64.407 63.200 0.248 0.000 0.921 54 S HN 0.592 8.902 8.310 -0.001 0.000 0.554 55 A N 6.096 129.020 122.820 0.174 0.000 2.125 55 A HA -0.152 4.226 4.320 0.097 0.000 0.219 55 A C 0.554 178.190 177.584 0.086 0.000 1.156 55 A CA 2.074 54.177 52.037 0.109 0.000 0.671 55 A CB -0.325 18.730 19.000 0.091 0.000 0.794 55 A HN 0.888 9.169 8.150 0.217 0.000 0.459 56 S N -2.204 113.552 115.700 0.094 0.000 2.527 56 S HA -0.048 4.456 4.470 0.057 0.000 0.222 56 S C 1.073 175.702 174.600 0.048 0.000 0.985 56 S CA 0.310 58.550 58.200 0.066 0.000 0.921 56 S CB 0.587 63.828 63.200 0.069 0.000 0.772 56 S HN -0.522 7.804 8.310 0.126 0.059 0.529 57 G N 1.182 110.014 108.800 0.054 0.000 2.195 57 G HA2 -0.337 3.654 3.960 0.051 0.000 0.246 57 G HA3 -0.337 3.643 3.960 0.033 0.000 0.246 57 G C -0.958 173.955 174.900 0.021 0.000 0.984 57 G CA -0.119 45.006 45.100 0.041 0.000 0.633 57 G HN -0.190 7.949 8.290 0.072 0.194 0.525 58 A N 0.505 123.327 122.820 0.003 0.000 2.488 58 A HA 0.038 4.333 4.320 -0.041 0.000 0.249 58 A C -0.978 176.551 177.584 -0.092 0.000 1.083 58 A CA 0.138 52.146 52.037 -0.048 0.000 0.768 58 A CB 0.744 19.703 19.000 -0.068 0.000 1.017 58 A HN -0.260 7.811 8.150 0.021 0.091 0.496 59 I N 3.623 124.140 120.570 -0.088 0.000 2.306 59 I HA 0.010 4.162 4.170 -0.030 0.000 0.288 59 I C -0.360 175.659 176.117 -0.162 0.000 1.036 59 I CA -0.485 60.777 61.300 -0.064 0.000 1.221 59 I CB 0.245 38.246 38.000 0.002 0.000 1.385 59 I HN 0.176 8.339 8.210 -0.078 0.000 0.472 60 Q N 9.861 129.474 119.800 -0.311 0.000 2.390 60 Q HA 0.236 4.414 4.340 -0.269 0.000 0.249 60 Q C -0.153 175.775 176.000 -0.120 0.000 0.996 60 Q CA -1.217 54.365 55.803 -0.368 0.000 0.899 60 Q CB -0.013 28.190 28.738 -0.891 0.000 1.216 60 Q HN -0.005 8.042 8.270 -0.372 0.000 0.465 61 K N 4.296 124.687 120.400 -0.016 0.000 1.974 61 K HA -0.100 4.453 4.320 0.214 -0.104 0.211 61 K C 0.214 176.881 176.600 0.111 0.000 1.039 61 K CA 1.745 58.091 56.287 0.099 0.000 0.947 61 K CB 0.902 33.440 32.500 0.064 0.000 0.735 61 K HN 0.388 8.606 8.250 -0.053 0.000 0.441 62 G N -2.700 106.147 108.800 0.079 0.000 2.246 62 G HA2 -0.073 3.947 3.960 0.101 0.000 0.196 62 G HA3 -0.073 3.962 3.960 0.125 0.000 0.196 62 G C -2.130 172.818 174.900 0.079 0.000 2.264 62 G CA -0.604 44.555 45.100 0.099 0.000 1.089 62 G HN -0.185 8.133 8.290 0.048 0.000 0.599 63 T N 5.342 119.932 114.554 0.060 0.000 2.780 63 T HA 0.083 4.560 4.350 0.045 -0.100 0.294 63 T C 0.725 175.454 174.700 0.048 0.000 0.949 63 T CA 0.414 62.542 62.100 0.046 0.000 1.074 63 T CB 0.673 69.560 68.868 0.033 0.000 0.910 63 T HN -0.035 8.241 8.240 0.059 0.000 0.501 64 N N 4.555 123.279 118.700 0.040 0.000 2.725 64 N HA -0.442 4.348 4.740 0.029 -0.033 0.249 64 N C -1.815 173.718 175.510 0.039 0.000 1.103 64 N CA 1.280 54.351 53.050 0.034 0.000 0.707 64 N CB -0.360 38.145 38.487 0.030 0.000 1.043 64 N HN 0.574 8.978 8.380 0.039 0.000 0.553 65 T N 0.880 115.462 114.554 0.046 0.000 2.794 65 T HA 0.125 4.504 4.350 0.047 0.000 0.280 65 T C -1.444 173.272 174.700 0.026 0.000 0.987 65 T CA -0.024 62.104 62.100 0.048 0.000 0.993 65 T CB 2.133 71.044 68.868 0.072 0.000 0.939 65 T HN -0.757 7.501 8.240 0.051 0.013 0.449 66 K N 7.075 127.485 120.400 0.017 0.000 2.284 66 K HA 0.023 4.334 4.320 -0.015 0.000 0.287 66 K C -1.228 175.354 176.600 -0.030 0.000 1.081 66 K CA -0.166 56.118 56.287 -0.005 0.000 0.910 66 K CB 0.598 33.103 32.500 0.007 0.000 1.088 66 K HN 0.461 8.727 8.250 0.027 0.000 0.478 67 V N 5.983 125.835 119.914 -0.103 0.000 2.372 67 V HA -0.045 4.000 4.120 -0.126 0.000 0.261 67 V C -1.183 174.849 176.094 -0.102 0.000 1.055 67 V CA -0.119 62.063 62.300 -0.197 0.000 0.930 67 V CB 0.077 31.526 31.823 -0.623 0.000 1.031 67 V HN 0.489 8.502 8.190 -0.114 0.108 0.479 68 A N 9.071 131.869 122.820 -0.036 0.000 2.252 68 A HA 0.568 5.071 4.320 0.031 -0.165 0.309 68 A C -2.369 175.216 177.584 0.001 0.000 1.285 68 A CA -1.896 50.148 52.037 0.011 0.000 0.900 68 A CB 1.535 20.554 19.000 0.032 0.000 1.157 68 A HN 0.953 9.088 8.150 -0.025 0.000 0.536 69 L N 6.963 128.159 121.223 -0.045 0.000 2.272 69 L HA 0.475 4.897 4.340 -0.062 -0.120 0.284 69 L C -1.893 174.949 176.870 -0.047 0.000 1.045 69 L CA -0.876 53.880 54.840 -0.139 0.000 0.842 69 L CB 1.273 43.020 42.059 -0.519 0.000 1.224 69 L HN 0.711 8.931 8.230 -0.016 0.000 0.430 70 E N 5.575 125.831 120.200 0.092 0.000 2.277 70 E HA 0.630 5.080 4.350 0.166 0.000 0.266 70 E C -2.577 174.191 176.600 0.280 0.000 0.901 70 E CA -4.151 52.355 56.400 0.177 0.000 0.782 70 E CB 1.296 31.094 29.700 0.164 0.000 1.228 70 E HN 0.675 9.108 8.360 0.122 0.000 0.424 71 P HA -0.036 4.374 4.420 -0.017 0.000 0.271 71 P C -1.588 175.689 177.300 -0.039 0.000 1.216 71 P CA -0.040 63.073 63.100 0.021 0.000 0.776 71 P CB 0.324 31.908 31.700 -0.194 0.000 0.881 72 A N 3.845 126.533 122.820 -0.220 0.000 2.527 72 A HA 0.323 4.756 4.320 0.189 0.000 0.313 72 A C -0.849 176.629 177.584 -0.177 0.000 1.410 72 A CA -0.652 51.293 52.037 -0.154 0.000 1.060 72 A CB -0.665 18.009 19.000 -0.543 0.000 1.137 72 A HN -0.037 7.848 8.150 -0.442 0.000 0.542 73 T N -0.362 114.127 114.554 -0.108 0.000 2.923 73 T HA 0.361 4.554 4.350 -0.263 0.000 0.281 73 T C 1.664 176.332 174.700 -0.053 0.000 0.995 73 T CA -2.558 59.409 62.100 -0.223 0.000 0.985 73 T CB 2.236 70.749 68.868 -0.590 0.000 1.114 73 T HN -0.613 7.635 8.240 0.014 0.000 0.548 74 S N 1.619 117.284 115.700 -0.058 0.000 2.419 74 S HA -0.366 4.128 4.470 0.040 0.000 0.233 74 S C 2.249 176.945 174.600 0.160 0.000 1.016 74 S CA 2.846 61.079 58.200 0.056 0.000 0.974 74 S CB -0.264 62.980 63.200 0.073 0.000 0.786 74 S HN 0.583 8.814 8.310 -0.132 0.000 0.492 75 Y N 2.886 123.200 120.300 0.023 0.000 2.224 75 Y HA -0.308 4.336 4.550 0.157 0.000 0.289 75 Y C 0.647 176.650 175.900 0.172 0.000 1.146 75 Y CA 3.295 61.469 58.100 0.122 0.000 1.182 75 Y CB -0.035 38.534 38.460 0.182 0.000 0.983 75 Y HN -0.136 8.183 8.280 0.115 0.030 0.524 76 M N -3.937 115.850 119.600 0.311 0.000 2.561 76 M HA -0.086 4.612 4.480 0.364 0.000 0.238 76 M C 1.066 177.536 176.300 0.284 0.000 1.131 76 M CA -0.833 54.661 55.300 0.323 0.000 1.046 76 M CB -0.966 31.842 32.600 0.347 0.000 1.532 76 M HN -0.156 8.145 8.290 0.267 0.150 0.497 77 K N 1.293 121.825 120.400 0.220 0.000 2.097 77 K HA -0.306 4.158 4.320 0.240 0.000 0.205 77 K C 1.399 178.112 176.600 0.187 0.000 1.050 77 K CA 3.632 60.045 56.287 0.209 0.000 0.938 77 K CB -0.124 32.485 32.500 0.181 0.000 0.718 77 K HN -0.380 7.791 8.250 0.192 0.194 0.442 78 A N -1.991 120.908 122.820 0.131 0.000 1.943 78 A HA -0.085 4.283 4.320 0.079 0.000 0.213 78 A C 1.667 179.309 177.584 0.097 0.000 1.181 78 A CA 2.280 54.364 52.037 0.078 0.000 0.653 78 A CB -0.494 18.511 19.000 0.008 0.000 0.833 78 A HN -0.648 7.566 8.150 0.106 0.000 0.451 79 Y N -0.057 120.245 120.300 0.003 0.000 2.163 79 Y HA -0.443 4.145 4.550 0.063 0.000 0.288 79 Y C 0.996 176.965 175.900 0.116 0.000 1.136 79 Y CA 3.976 62.107 58.100 0.052 0.000 1.147 79 Y CB 0.369 38.857 38.460 0.046 0.000 0.987 79 Y HN -0.701 7.691 8.280 0.187 0.000 0.509 80 Y N -0.757 119.569 120.300 0.044 0.000 2.242 80 Y HA -0.454 4.014 4.550 -0.136 0.000 0.291 80 Y C 0.956 176.813 175.900 -0.070 0.000 1.137 80 Y CA 2.950 61.001 58.100 -0.083 0.000 1.181 80 Y CB -0.169 38.199 38.460 -0.153 0.000 0.989 80 Y HN -0.121 8.260 8.280 0.362 0.115 0.527 81 A N -2.259 120.544 122.820 -0.028 0.000 1.969 81 A HA -0.283 3.932 4.320 -0.175 0.000 0.218 81 A C 1.267 178.735 177.584 -0.193 0.000 1.169 81 A CA 2.264 54.237 52.037 -0.106 0.000 0.635 81 A CB -0.633 18.378 19.000 0.018 0.000 0.810 81 A HN -0.400 7.811 8.150 0.127 0.015 0.445 82 K N -2.546 117.752 120.400 -0.169 0.000 1.991 82 K HA -0.124 4.042 4.320 -0.257 0.000 0.207 82 K C 1.432 177.767 176.600 -0.441 0.000 1.045 82 K CA 1.884 58.026 56.287 -0.241 0.000 0.937 82 K CB 0.442 32.904 32.500 -0.063 0.000 0.720 82 K HN -0.479 7.596 8.250 -0.107 0.111 0.438 83 F N -3.916 115.764 119.950 -0.451 0.000 2.468 83 F HA -0.012 4.331 4.527 -0.306 0.000 0.250 83 F C 1.042 176.583 175.800 -0.432 0.000 0.990 83 F CA 0.979 58.730 58.000 -0.414 0.000 1.043 83 F CB 0.888 39.602 39.000 -0.477 0.000 1.184 83 F HN -0.297 7.914 8.300 -0.149 0.000 0.690 84 G N -1.500 107.175 108.800 -0.209 0.000 2.646 84 G HA2 -0.512 3.448 3.960 -0.000 0.000 0.324 84 G HA3 -0.512 3.069 3.960 -0.830 -0.118 0.324 84 G C -0.499 174.333 174.900 -0.114 0.000 1.195 84 G CA 0.957 45.896 45.100 -0.269 0.000 0.976 84 G HN 0.011 8.172 8.290 -0.214 0.000 0.546 85 N N 5.713 124.299 118.700 -0.191 0.000 2.482 85 N HA 0.543 5.630 4.740 0.014 -0.338 0.242 85 N C -0.738 174.721 175.510 -0.086 0.000 1.100 85 N CA -0.301 52.715 53.050 -0.055 0.000 0.946 85 N CB -0.624 37.861 38.487 -0.003 0.000 1.227 85 N HN -0.071 8.046 8.380 -0.438 0.000 0.508 86 L N 5.661 126.856 121.223 -0.048 0.000 2.349 86 L HA 0.420 4.705 4.340 -0.091 0.000 0.278 86 L C -2.318 174.522 176.870 -0.049 0.000 0.996 86 L CA -1.143 53.662 54.840 -0.059 0.000 0.825 86 L CB 3.707 45.747 42.059 -0.033 0.000 1.243 86 L HN -0.138 8.084 8.230 -0.012 0.000 0.412 87 D N 6.781 127.137 120.400 -0.072 0.000 2.399 87 D HA 0.110 4.890 4.640 -0.106 -0.203 0.241 87 D C 1.163 177.411 176.300 -0.086 0.000 1.133 87 D CA 1.699 55.643 54.000 -0.093 0.000 0.890 87 D CB 0.743 41.481 40.800 -0.104 0.000 1.201 87 D HN 0.485 8.808 8.370 -0.079 0.000 0.432 88 A N 3.959 126.714 122.820 -0.108 0.000 2.125 88 A HA -0.257 4.031 4.320 -0.054 0.000 0.219 88 A C 1.199 178.737 177.584 -0.076 0.000 1.156 88 A CA 2.860 54.846 52.037 -0.085 0.000 0.671 88 A CB -0.431 18.506 19.000 -0.106 0.000 0.794 88 A HN 0.750 8.704 8.150 -0.150 0.106 0.459 89 A N -2.549 120.217 122.820 -0.090 0.000 2.172 89 A HA -0.162 4.118 4.320 -0.067 0.000 0.216 89 A C 0.469 178.017 177.584 -0.060 0.000 1.154 89 A CA 2.065 54.058 52.037 -0.074 0.000 0.701 89 A CB -0.297 18.655 19.000 -0.079 0.000 0.789 89 A HN 0.489 8.524 8.150 -0.111 0.049 0.465 90 K N -5.674 114.690 120.400 -0.060 0.000 2.826 90 K HA 0.190 4.479 4.320 -0.051 0.000 0.206 90 K C -1.106 175.468 176.600 -0.043 0.000 1.116 90 K CA -1.615 54.638 56.287 -0.057 0.000 1.045 90 K CB 0.360 32.815 32.500 -0.076 0.000 0.758 90 K HN -0.340 7.692 8.250 -0.066 0.178 0.465 91 R N 2.217 122.701 120.500 -0.026 0.000 2.609 91 R HA -0.076 4.277 4.340 0.021 0.000 0.271 91 R C -0.880 175.428 176.300 0.014 0.000 1.403 91 R CA -0.448 55.654 56.100 0.003 0.000 1.138 91 R CB -1.484 28.817 30.300 0.000 0.000 1.142 91 R HN -0.585 7.566 8.270 -0.035 0.098 0.559 92 D N 5.765 126.180 120.400 0.025 0.000 2.317 92 D HA 0.068 4.714 4.640 0.010 0.000 0.252 92 D C -1.048 175.286 176.300 0.056 0.000 1.174 92 D CA -1.525 52.491 54.000 0.026 0.000 0.866 92 D CB 1.041 41.846 40.800 0.008 0.000 1.127 92 D HN -0.399 7.986 8.370 0.025 0.000 0.467 93 P HA 0.299 4.748 4.420 0.047 0.000 0.266 93 P C -1.388 175.934 177.300 0.037 0.000 1.381 93 P CA 0.159 63.282 63.100 0.038 0.000 0.940 93 P CB 1.059 32.773 31.700 0.023 0.000 1.435 94 D N -0.741 119.682 120.400 0.039 0.000 2.463 94 D HA 0.005 4.661 4.640 0.028 0.000 0.237 94 D C 0.273 176.602 176.300 0.048 0.000 1.013 94 D CA 0.755 54.774 54.000 0.033 0.000 0.910 94 D CB 1.685 42.496 40.800 0.018 0.000 1.080 94 D HN 0.041 8.730 8.370 0.040 -0.296 0.498 95 V N 2.923 122.878 119.914 0.069 0.000 2.434 95 V HA -0.267 3.896 4.120 0.072 0.000 0.281 95 V C -0.585 175.592 176.094 0.139 0.000 1.005 95 V CA 1.364 63.727 62.300 0.104 0.000 1.089 95 V CB -0.191 31.708 31.823 0.127 0.000 0.978 95 V HN -0.065 8.591 8.190 0.062 -0.428 0.474 96 Q N 8.412 128.272 119.800 0.100 0.000 2.288 96 Q HA 0.235 4.613 4.340 0.063 0.000 0.258 96 Q C -1.562 174.496 176.000 0.097 0.000 0.957 96 Q CA -2.826 53.024 55.803 0.078 0.000 0.919 96 Q CB -0.543 28.226 28.738 0.052 0.000 1.185 96 Q HN -0.062 8.256 8.270 0.081 0.000 0.408 97 P HA 0.173 4.635 4.420 0.070 0.000 0.277 97 P C -2.019 175.322 177.300 0.068 0.000 1.240 97 P CA -1.292 61.826 63.100 0.030 0.000 0.798 97 P CB -0.406 31.249 31.700 -0.075 0.000 0.979 98 P HA 0.036 4.505 4.420 0.082 0.000 0.275 98 P C -0.926 176.434 177.300 0.100 0.000 1.266 98 P CA -0.996 62.165 63.100 0.102 0.000 0.793 98 P CB 0.880 32.652 31.700 0.120 0.000 1.074 99 V N 0.349 120.321 119.914 0.096 0.000 2.446 99 V HA -0.096 4.052 4.120 0.046 0.000 0.276 99 V C -0.832 175.334 176.094 0.120 0.000 1.030 99 V CA -0.093 62.252 62.300 0.076 0.000 1.033 99 V CB 0.467 32.321 31.823 0.052 0.000 0.993 99 V HN 0.134 8.380 8.190 0.094 0.000 0.477 100 L N 7.898 129.155 121.223 0.056 0.000 2.395 100 L HA 0.106 4.580 4.340 0.223 0.000 0.269 100 L C 0.180 176.954 176.870 -0.160 0.000 1.133 100 L CA -0.661 54.184 54.840 0.009 0.000 0.812 100 L CB 0.703 42.709 42.059 -0.087 0.000 1.125 100 L HN -0.038 8.203 8.230 0.018 0.000 0.452 101 D N 1.470 121.609 120.400 -0.435 0.000 2.450 101 D HA -0.002 4.422 4.640 -0.359 0.000 0.247 101 D C -0.308 175.757 176.300 -0.392 0.000 1.162 101 D CA -1.255 52.432 54.000 -0.522 0.000 0.879 101 D CB 0.650 40.858 40.800 -0.986 0.000 1.163 101 D HN 0.022 7.970 8.370 -0.703 0.000 0.472 102 P HA -0.081 4.238 4.420 -0.168 0.000 0.229 102 P C 0.585 177.754 177.300 -0.219 0.000 1.160 102 P CA 1.227 64.206 63.100 -0.201 0.000 0.777 102 P CB 0.137 31.750 31.700 -0.145 0.000 0.814 103 R N -1.841 118.473 120.500 -0.310 0.000 2.148 103 R HA -0.191 4.029 4.340 -0.199 0.000 0.223 103 R C 1.550 177.762 176.300 -0.146 0.000 1.088 103 R CA 1.583 57.531 56.100 -0.253 0.000 0.985 103 R CB -0.735 29.392 30.300 -0.288 0.000 0.880 103 R HN -0.542 7.773 8.270 -0.411 -0.291 0.451 104 R N -1.096 119.269 120.500 -0.225 0.000 2.105 104 R HA -0.341 4.113 4.340 0.190 0.000 0.239 104 R C 1.651 177.952 176.300 0.003 0.000 1.135 104 R CA 3.177 59.265 56.100 -0.020 0.000 0.967 104 R CB -0.505 29.743 30.300 -0.086 0.000 0.861 104 R HN -0.215 7.946 8.270 -0.431 -0.151 0.442 105 A N -3.578 119.198 122.820 -0.074 0.000 2.070 105 A HA -0.120 4.178 4.320 -0.036 0.000 0.220 105 A C 1.043 178.588 177.584 -0.066 0.000 1.159 105 A CA 2.336 54.337 52.037 -0.061 0.000 0.656 105 A CB -0.873 18.080 19.000 -0.078 0.000 0.800 105 A HN -0.438 7.515 8.150 -0.125 0.122 0.453 106 T N -0.743 113.741 114.554 -0.117 0.000 2.937 106 T HA -0.155 4.107 4.350 -0.146 0.000 0.260 106 T C 0.824 175.411 174.700 -0.189 0.000 1.051 106 T CA 2.512 64.493 62.100 -0.199 0.000 1.141 106 T CB 0.863 69.524 68.868 -0.344 0.000 0.879 106 T HN -0.434 7.566 8.240 -0.126 0.164 0.459 107 Y N -1.183 119.115 120.300 -0.004 0.000 2.475 107 Y HA -0.157 4.410 4.550 0.028 0.000 0.289 107 Y C 0.374 176.288 175.900 0.023 0.000 1.121 107 Y CA 1.591 59.709 58.100 0.029 0.000 1.257 107 Y CB 0.524 39.030 38.460 0.077 0.000 1.026 107 Y HN -0.735 7.471 8.280 0.028 0.091 0.555 108 V N 0.670 120.670 119.914 0.144 0.000 2.400 108 V HA -0.325 3.855 4.120 0.100 0.000 0.263 108 V C -0.580 175.553 176.094 0.066 0.000 1.026 108 V CA 1.400 63.754 62.300 0.090 0.000 1.077 108 V CB -1.361 30.495 31.823 0.056 0.000 1.054 108 V HN -0.061 8.164 8.190 0.112 0.033 0.477 109 R N 9.106 129.641 120.500 0.059 0.000 2.221 109 R HA 0.138 4.543 4.340 0.109 0.000 0.327 109 R C -0.983 175.417 176.300 0.166 0.000 1.033 109 R CA -0.792 55.372 56.100 0.107 0.000 0.887 109 R CB 0.808 31.157 30.300 0.082 0.000 1.057 109 R HN -0.214 8.075 8.270 0.032 0.000 0.455 110 E N 5.529 125.821 120.200 0.154 0.000 2.156 110 E HA 0.450 5.024 4.350 0.097 -0.166 0.279 110 E C -0.917 175.741 176.600 0.097 0.000 0.965 110 E CA -0.758 55.707 56.400 0.108 0.000 0.789 110 E CB 1.876 31.605 29.700 0.048 0.000 1.098 110 E HN 0.494 8.931 8.360 0.129 0.000 0.397 111 A N 7.689 130.535 122.820 0.044 0.000 2.394 111 A HA 0.415 4.669 4.320 -0.110 0.000 0.333 111 A C -1.197 176.334 177.584 -0.088 0.000 1.397 111 A CA -1.448 50.526 52.037 -0.105 0.000 0.884 111 A CB 1.181 19.996 19.000 -0.307 0.000 1.147 111 A HN 1.152 9.216 8.150 0.052 0.117 0.505 112 T N 8.615 123.146 114.554 -0.039 0.000 2.727 112 T HA 0.254 4.788 4.350 -0.014 -0.192 0.295 112 T C 0.125 174.832 174.700 0.011 0.000 0.915 112 T CA 0.073 62.166 62.100 -0.012 0.000 1.066 112 T CB -0.133 68.734 68.868 -0.001 0.000 0.891 112 T HN 0.313 8.533 8.240 -0.034 0.000 0.516 113 T N 6.148 120.724 114.554 0.038 0.000 2.738 113 T HA -0.016 4.385 4.350 0.085 0.000 0.293 113 T C 0.163 174.893 174.700 0.050 0.000 0.913 113 T CA -0.053 62.093 62.100 0.076 0.000 1.103 113 T CB 0.264 69.211 68.868 0.132 0.000 0.880 113 T HN 0.419 8.675 8.240 0.027 0.000 0.526 114 D N 7.006 127.428 120.400 0.037 0.000 2.096 114 D HA -0.323 4.329 4.640 0.021 0.000 0.200 114 D C 0.808 177.123 176.300 0.025 0.000 0.980 114 D CA 4.321 58.335 54.000 0.024 0.000 0.860 114 D CB -0.137 40.671 40.800 0.014 0.000 1.005 114 D HN 0.327 8.719 8.370 0.037 0.000 0.449 115 Q N -3.168 116.645 119.800 0.021 0.000 2.427 115 Q HA -0.083 4.268 4.340 0.018 0.000 0.249 115 Q C 0.206 176.213 176.000 0.012 0.000 0.783 115 Q CA 1.137 56.949 55.803 0.015 0.000 0.978 115 Q CB 0.559 29.300 28.738 0.006 0.000 1.273 115 Q HN 0.303 8.585 8.270 0.020 0.000 0.524 116 N N 0.352 119.059 118.700 0.011 0.000 2.453 116 N HA -0.129 4.604 4.740 -0.013 0.000 0.183 116 N C 0.244 175.763 175.510 0.015 0.000 1.041 116 N CA 0.824 53.874 53.050 0.001 0.000 0.900 116 N CB -0.515 37.968 38.487 -0.007 0.000 0.961 116 N HN -0.058 8.329 8.380 0.012 0.000 0.443 117 G N -3.852 104.979 108.800 0.052 0.000 2.221 117 G HA2 -0.454 3.583 3.960 0.129 0.000 0.265 117 G HA3 -0.454 3.559 3.960 0.088 0.000 0.265 117 G C -2.444 172.537 174.900 0.135 0.000 1.041 117 G CA 0.461 45.622 45.100 0.102 0.000 0.807 117 G HN 0.239 8.510 8.290 0.052 0.050 0.502 118 R N -1.856 118.708 120.500 0.107 0.000 2.673 118 R HA 0.726 5.181 4.340 0.019 -0.103 0.281 118 R C -2.245 174.110 176.300 0.091 0.000 0.991 118 R CA -1.620 54.502 56.100 0.038 0.000 0.896 118 R CB 3.431 33.700 30.300 -0.051 0.000 1.201 118 R HN -0.717 7.589 8.270 0.089 0.018 0.457 119 F N 2.059 121.999 119.950 -0.017 0.000 2.613 119 F HA 0.499 4.948 4.527 -0.131 0.000 0.314 119 F C -3.137 172.588 175.800 -0.126 0.000 1.075 119 F CA -1.786 56.151 58.000 -0.104 0.000 0.945 119 F CB 3.043 41.976 39.000 -0.112 0.000 1.310 119 F HN 0.938 8.866 8.300 -0.619 0.000 0.467 120 D N -2.009 118.324 120.400 -0.111 0.000 2.645 120 D HA 1.003 5.811 4.640 -0.045 -0.195 0.228 120 D C -1.969 174.160 176.300 -0.284 0.000 1.148 120 D CA -1.154 52.773 54.000 -0.121 0.000 0.860 120 D CB 3.634 44.386 40.800 -0.080 0.000 1.548 120 D HN -0.137 8.145 8.370 -0.148 0.000 0.460 121 F N -2.728 117.278 119.950 0.093 0.000 2.640 121 F HA 0.294 4.870 4.527 0.082 0.000 0.324 121 F C -1.519 174.309 175.800 0.047 0.000 1.077 121 F CA -0.880 57.165 58.000 0.076 0.000 0.965 121 F CB 4.786 43.829 39.000 0.071 0.000 1.351 121 F HN 0.502 8.824 8.300 0.214 0.106 0.487 122 D N -2.174 118.399 120.400 0.289 0.000 2.654 122 D HA 0.140 4.852 4.640 0.121 0.000 0.231 122 D C -1.742 174.701 176.300 0.238 0.000 1.239 122 D CA -0.701 53.413 54.000 0.188 0.000 0.790 122 D CB 2.180 43.086 40.800 0.176 0.000 1.480 122 D HN 0.080 8.672 8.370 0.369 0.000 0.442 123 H N 0.206 119.313 119.070 0.062 0.000 2.847 123 H HA -0.221 4.523 4.556 0.038 -0.165 0.336 123 H C -1.387 173.962 175.328 0.034 0.000 1.221 123 H CA 1.050 57.125 56.048 0.046 0.000 1.162 123 H CB -1.274 28.515 29.762 0.046 0.000 1.566 123 H HN 0.330 8.575 8.280 -0.057 0.000 0.430 124 I N -0.862 119.745 120.570 0.061 0.000 2.498 124 I HA 0.314 4.505 4.170 0.035 0.000 0.290 124 I C -2.006 174.124 176.117 0.022 0.000 1.032 124 I CA -3.420 57.883 61.300 0.005 0.000 1.073 124 I CB 3.573 41.496 38.000 -0.128 0.000 1.251 124 I HN -0.376 7.937 8.210 0.014 -0.095 0.426 125 P HA 0.015 4.479 4.420 0.074 0.000 0.272 125 P C -1.459 175.936 177.300 0.158 0.000 1.240 125 P CA -0.826 62.338 63.100 0.107 0.000 0.791 125 P CB 0.161 31.939 31.700 0.130 0.000 0.978 126 N N -0.896 117.870 118.700 0.111 0.000 2.483 126 N HA 0.047 5.004 4.740 0.152 -0.127 0.269 126 N C 0.309 175.866 175.510 0.080 0.000 1.209 126 N CA -0.205 52.910 53.050 0.110 0.000 0.969 126 N CB 1.665 40.177 38.487 0.040 0.000 1.173 126 N HN 0.027 8.449 8.380 0.071 0.000 0.475 127 G N -1.272 107.545 108.800 0.029 0.000 2.332 127 G HA2 -0.091 3.774 3.960 -0.159 0.000 0.265 127 G HA3 -0.091 3.667 3.960 -0.336 0.000 0.265 127 G C -2.542 172.192 174.900 -0.276 0.000 1.329 127 G CA -0.105 44.880 45.100 -0.192 0.000 0.949 127 G HN 0.012 8.349 8.290 0.079 0.000 0.476 128 T N 2.996 117.244 114.554 -0.509 0.000 2.779 128 T HA 0.405 4.608 4.350 -0.245 0.000 0.280 128 T C -1.295 172.997 174.700 -0.681 0.000 0.987 128 T CA -0.021 61.815 62.100 -0.441 0.000 0.966 128 T CB 1.379 70.030 68.868 -0.362 0.000 0.933 128 T HN 0.017 7.917 8.240 -0.565 0.000 0.442 129 Y N 4.935 125.080 120.300 -0.259 0.000 2.602 129 Y HA 0.108 4.627 4.550 -0.209 -0.094 0.342 129 Y C -1.655 174.069 175.900 -0.293 0.000 1.029 129 Y CA -1.002 56.963 58.100 -0.225 0.000 1.080 129 Y CB 4.466 42.845 38.460 -0.134 0.000 1.284 129 Y HN 0.854 8.969 8.280 -0.085 0.114 0.485 130 Y N -1.329 119.038 120.300 0.111 0.000 2.328 130 Y HA 0.448 5.197 4.550 0.023 -0.185 0.337 130 Y C -0.678 175.265 175.900 0.072 0.000 0.966 130 Y CA -1.561 56.572 58.100 0.055 0.000 1.136 130 Y CB 2.082 40.565 38.460 0.039 0.000 1.170 130 Y HN 1.046 9.372 8.280 0.251 0.105 0.470 131 I N 5.576 126.291 120.570 0.241 0.000 2.291 131 I HA 0.392 4.825 4.170 0.101 -0.203 0.290 131 I C -0.403 175.805 176.117 0.152 0.000 1.050 131 I CA -0.595 60.794 61.300 0.149 0.000 1.245 131 I CB 0.279 38.360 38.000 0.134 0.000 1.405 131 I HN 0.843 9.099 8.210 0.250 0.105 0.478 132 S N 9.149 124.921 115.700 0.119 0.000 2.457 132 S HA 0.462 5.013 4.470 0.134 0.000 0.289 132 S C -0.687 173.957 174.600 0.073 0.000 1.163 132 S CA -0.991 57.276 58.200 0.111 0.000 1.078 132 S CB 1.213 64.479 63.200 0.110 0.000 0.987 132 S HN 0.964 9.333 8.310 0.099 0.000 0.482 133 S N 3.128 118.878 115.700 0.084 0.000 2.668 133 S HA 0.384 4.886 4.470 0.053 0.000 0.277 133 S C -1.435 173.217 174.600 0.087 0.000 1.170 133 S CA -0.815 57.428 58.200 0.071 0.000 0.994 133 S CB 3.266 66.506 63.200 0.068 0.000 1.051 133 S HN 0.583 8.956 8.310 0.105 0.000 0.484 134 E N 6.774 127.020 120.200 0.076 0.000 1.936 134 E HA 0.197 4.741 4.350 0.075 -0.150 0.267 134 E C -1.466 175.190 176.600 0.094 0.000 1.076 134 E CA -0.605 55.840 56.400 0.075 0.000 0.870 134 E CB 0.599 30.334 29.700 0.059 0.000 1.093 134 E HN 0.586 8.985 8.360 0.065 0.000 0.411 135 L N 7.492 128.790 121.223 0.124 0.000 2.319 135 L HA 0.379 4.826 4.340 0.179 0.000 0.281 135 L C -2.230 174.762 176.870 0.202 0.000 1.005 135 L CA -0.524 54.433 54.840 0.195 0.000 0.828 135 L CB 2.853 45.065 42.059 0.255 0.000 1.227 135 L HN 0.086 8.386 8.230 0.116 0.000 0.415 136 T N 7.271 121.940 114.554 0.192 0.000 2.909 136 T HA 0.369 4.688 4.350 -0.216 -0.099 0.299 136 T C -1.587 173.250 174.700 0.227 0.000 1.073 136 T CA -1.051 61.066 62.100 0.029 0.000 0.999 136 T CB 1.779 70.603 68.868 -0.073 0.000 1.098 136 T HN 0.128 8.489 8.240 0.201 0.000 0.477 137 W N 2.946 124.264 121.300 0.030 0.000 3.097 137 W HA 0.387 5.063 4.660 0.027 0.000 0.335 137 W C -2.600 173.933 176.519 0.023 0.000 1.114 137 W CA -1.746 55.616 57.345 0.028 0.000 1.231 137 W CB 1.563 31.042 29.460 0.032 0.000 1.388 137 W HN 0.710 8.482 8.180 -0.680 0.000 0.485 138 S N 5.138 120.924 115.700 0.144 0.000 2.532 138 S HA 0.570 5.187 4.470 -0.012 -0.154 0.318 138 S C -0.638 174.035 174.600 0.121 0.000 1.083 138 S CA -1.196 57.041 58.200 0.062 0.000 1.131 138 S CB -0.184 63.031 63.200 0.025 0.000 0.973 138 S HN 0.132 8.553 8.310 0.186 0.000 0.468 139 A N 6.453 129.359 122.820 0.144 0.000 2.350 139 A HA 0.441 4.829 4.320 0.114 0.000 0.318 139 A C -2.186 175.449 177.584 0.084 0.000 1.132 139 A CA -1.270 50.848 52.037 0.135 0.000 0.811 139 A CB 2.918 22.035 19.000 0.194 0.000 1.313 139 A HN 0.087 8.314 8.150 0.128 0.000 0.454 140 Q N -0.658 119.182 119.800 0.067 0.000 2.257 140 Q HA 0.207 4.736 4.340 0.040 -0.165 0.255 140 Q C -0.645 175.384 176.000 0.048 0.000 0.920 140 Q CA -0.783 55.048 55.803 0.047 0.000 0.927 140 Q CB 1.207 29.967 28.738 0.037 0.000 1.229 140 Q HN 0.180 8.492 8.270 0.070 0.000 0.433 141 S N 3.228 118.951 115.700 0.040 0.000 2.596 141 S HA 0.218 4.714 4.470 0.043 0.000 0.318 141 S C -0.020 174.597 174.600 0.027 0.000 1.097 141 S CA -0.921 57.301 58.200 0.038 0.000 1.080 141 S CB 0.672 63.897 63.200 0.041 0.000 0.991 141 S HN 0.563 8.892 8.310 0.032 0.000 0.471 142 D N 7.032 127.447 120.400 0.025 0.000 3.322 142 D HA -0.310 4.342 4.640 0.019 0.000 0.190 142 D C -0.301 176.010 176.300 0.017 0.000 1.485 142 D CA 1.814 55.825 54.000 0.019 0.000 2.184 142 D CB -0.644 40.166 40.800 0.016 0.000 1.315 142 D HN 0.738 9.125 8.370 0.028 0.000 0.435 143 G N -2.686 106.125 108.800 0.018 0.000 4.320 143 G HA2 -0.091 3.879 3.960 0.017 0.000 0.150 143 G HA3 -0.091 3.877 3.960 0.013 0.000 0.150 143 G C -1.656 173.253 174.900 0.015 0.000 0.889 143 G CA -0.004 45.105 45.100 0.016 0.000 0.877 143 G HN 0.062 8.239 8.290 0.019 0.124 0.425 144 K N 2.645 123.053 120.400 0.014 0.000 2.143 144 K HA 0.259 4.585 4.320 0.011 0.000 0.272 144 K C -0.854 175.755 176.600 0.015 0.000 1.001 144 K CA -1.092 55.202 56.287 0.011 0.000 0.915 144 K CB 1.352 33.856 32.500 0.007 0.000 1.047 144 K HN -0.600 7.658 8.250 0.014 0.000 0.458 145 T N 6.782 121.344 114.554 0.013 0.000 2.738 145 T HA -0.001 4.497 4.350 0.026 -0.132 0.294 145 T C 0.183 174.886 174.700 0.005 0.000 0.914 145 T CA 0.598 62.708 62.100 0.016 0.000 1.052 145 T CB -1.014 67.864 68.868 0.017 0.000 0.897 145 T HN 0.160 8.407 8.240 0.010 0.000 0.522 146 I N 3.813 124.386 120.570 0.005 0.000 2.783 146 I HA 0.569 4.724 4.170 -0.025 0.000 0.312 146 I C -1.038 175.052 176.117 -0.046 0.000 0.988 146 I CA -2.111 59.177 61.300 -0.019 0.000 1.182 146 I CB 1.696 39.687 38.000 -0.016 0.000 1.368 146 I HN 0.409 8.631 8.210 0.020 0.000 0.511 147 T N 4.863 119.362 114.554 -0.092 0.000 2.912 147 T HA 0.276 4.659 4.350 -0.150 -0.123 0.326 147 T C -1.150 173.382 174.700 -0.281 0.000 1.080 147 T CA -0.314 61.693 62.100 -0.155 0.000 1.000 147 T CB 0.476 69.279 68.868 -0.108 0.000 1.008 147 T HN 0.132 8.321 8.240 -0.085 0.000 0.473 148 E N 4.914 124.803 120.200 -0.518 0.000 2.250 148 E HA 0.365 4.442 4.350 -0.455 0.000 0.269 148 E C 0.251 176.181 176.600 -1.118 0.000 1.018 148 E CA -1.671 54.274 56.400 -0.759 0.000 0.873 148 E CB 1.926 31.141 29.700 -0.810 0.000 1.134 148 E HN 0.307 8.335 8.360 -0.553 0.000 0.403 149 G N 0.592 108.870 108.800 -0.870 0.000 2.584 149 G HA2 -0.408 3.300 3.960 -0.421 0.000 0.229 149 G HA3 -0.408 3.120 3.960 -0.898 -0.107 0.229 149 G C -1.365 173.358 174.900 -0.295 0.000 1.320 149 G CA -0.185 44.526 45.100 -0.647 0.000 0.891 149 G HN 0.483 8.413 8.290 -0.600 0.000 0.573 150 G N -1.507 107.204 108.800 -0.149 0.000 2.384 150 G HA2 -0.100 3.823 3.960 -0.061 0.000 0.150 150 G HA3 -0.100 3.999 3.960 -0.072 -0.182 0.150 150 G C -2.425 172.478 174.900 0.005 0.000 1.269 150 G CA 0.364 45.425 45.100 -0.065 0.000 1.094 150 G HN 0.217 8.343 8.290 -0.103 0.102 0.467 151 T N 1.741 116.308 114.554 0.020 0.000 2.782 151 T HA 0.091 4.479 4.350 0.064 0.000 0.298 151 T C -1.233 173.508 174.700 0.069 0.000 0.944 151 T CA -0.174 61.959 62.100 0.054 0.000 1.001 151 T CB -0.232 68.675 68.868 0.065 0.000 0.932 151 T HN 0.139 8.383 8.240 0.006 0.000 0.524 152 V N 9.037 129.006 119.914 0.092 0.000 2.350 152 V HA 0.604 4.973 4.120 0.111 -0.182 0.276 152 V C -1.918 174.264 176.094 0.146 0.000 1.028 152 V CA -2.176 60.194 62.300 0.116 0.000 0.860 152 V CB 2.205 34.100 31.823 0.121 0.000 0.990 152 V HN 0.584 8.831 8.190 0.095 0.000 0.453 153 T N 12.400 127.070 114.554 0.192 0.000 2.786 153 T HA 0.662 5.389 4.350 0.195 -0.260 0.283 153 T C -1.683 173.183 174.700 0.276 0.000 0.992 153 T CA -1.038 61.200 62.100 0.230 0.000 0.954 153 T CB 1.006 70.015 68.868 0.235 0.000 0.934 153 T HN 1.061 9.913 8.240 0.206 -0.489 0.440 154 K N 5.967 126.516 120.400 0.249 0.000 2.206 154 K HA 0.333 4.773 4.320 0.201 0.000 0.264 154 K C -1.915 174.802 176.600 0.195 0.000 0.967 154 K CA -1.926 54.484 56.287 0.206 0.000 0.844 154 K CB 2.928 35.520 32.500 0.154 0.000 1.099 154 K HN 0.546 8.824 8.250 0.231 0.111 0.441 155 L N 7.703 128.986 121.223 0.100 0.000 2.342 155 L HA 0.302 4.618 4.340 -0.286 -0.148 0.285 155 L C -1.099 175.728 176.870 -0.072 0.000 1.095 155 L CA -0.145 54.627 54.840 -0.114 0.000 0.843 155 L CB 0.189 42.138 42.059 -0.184 0.000 1.201 155 L HN 0.522 8.819 8.230 0.112 0.000 0.445 156 V N 10.019 129.898 119.914 -0.059 0.000 2.407 156 V HA 0.281 4.402 4.120 0.002 0.000 0.291 156 V C -1.576 174.529 176.094 0.018 0.000 1.018 156 V CA -1.184 61.120 62.300 0.007 0.000 0.842 156 V CB 2.675 34.538 31.823 0.066 0.000 0.996 156 V HN 0.818 8.952 8.190 -0.094 0.000 0.426 157 T N 7.545 122.096 114.554 -0.004 0.000 2.771 157 T HA 0.307 4.815 4.350 0.019 -0.147 0.291 157 T C -0.240 174.494 174.700 0.057 0.000 0.954 157 T CA -1.204 60.901 62.100 0.009 0.000 1.045 157 T CB 0.625 69.464 68.868 -0.047 0.000 0.917 157 T HN 0.432 8.662 8.240 -0.017 0.000 0.484 158 V N 10.015 130.005 119.914 0.127 0.000 2.334 158 V HA 0.097 4.401 4.120 0.055 -0.151 0.267 158 V C -0.698 175.433 176.094 0.061 0.000 1.040 158 V CA -0.622 61.734 62.300 0.093 0.000 0.866 158 V CB -1.080 30.803 31.823 0.100 0.000 1.019 158 V HN 0.479 8.792 8.190 0.206 0.000 0.468 159 S N 5.775 121.493 115.700 0.029 0.000 2.666 159 S HA 0.092 4.572 4.470 0.017 0.000 0.239 159 S C -0.243 174.362 174.600 0.008 0.000 1.031 159 S CA -0.126 58.083 58.200 0.014 0.000 1.015 159 S CB 1.008 64.210 63.200 0.003 0.000 0.981 159 S HN -0.393 8.091 8.310 0.024 -0.159 0.547 160 G N 0.726 109.531 108.800 0.010 0.000 2.329 160 G HA2 0.267 4.228 3.960 0.000 0.000 0.309 160 G HA3 0.267 4.230 3.960 0.004 0.000 0.309 160 G C -0.318 174.581 174.900 -0.003 0.000 1.110 160 G CA -0.859 44.243 45.100 0.003 0.000 0.923 160 G HN -0.358 7.885 8.290 0.015 0.056 0.430 161 S N 3.873 119.568 115.700 -0.009 0.000 2.496 161 S HA -0.040 4.415 4.470 -0.024 0.000 0.224 161 S C 0.313 174.899 174.600 -0.023 0.000 0.996 161 S CA 1.090 59.278 58.200 -0.020 0.000 0.927 161 S CB 0.601 63.788 63.200 -0.022 0.000 0.774 161 S HN 0.381 8.687 8.310 -0.007 0.000 0.524 162 Q N 0.741 120.533 119.800 -0.014 0.000 2.193 162 Q HA 0.251 4.581 4.340 -0.017 0.000 0.246 162 Q C -2.407 173.588 176.000 -0.008 0.000 0.959 162 Q CA -2.030 53.766 55.803 -0.013 0.000 0.904 162 Q CB 0.227 28.959 28.738 -0.010 0.000 1.238 162 Q HN -0.389 7.837 8.270 -0.010 0.037 0.469 163 P HA -0.316 4.301 4.420 0.001 -0.196 0.251 163 P C -1.429 175.870 177.300 -0.003 0.000 1.154 163 P CA 0.646 63.744 63.100 -0.004 0.000 0.805 163 P CB -0.383 31.312 31.700 -0.008 0.000 0.759 164 Q N 6.434 126.236 119.800 0.003 0.000 2.421 164 Q HA 0.133 4.474 4.340 0.003 0.000 0.242 164 Q C -1.185 174.814 176.000 -0.001 0.000 1.024 164 Q CA -1.356 54.450 55.803 0.005 0.000 0.891 164 Q CB 1.329 30.075 28.738 0.014 0.000 1.222 164 Q HN 0.726 8.894 8.270 0.010 0.109 0.483 165 K N 8.924 129.320 120.400 -0.007 0.000 2.349 165 K HA 0.285 4.809 4.320 -0.038 -0.227 0.289 165 K C -0.867 175.731 176.600 -0.004 0.000 1.064 165 K CA 0.279 56.555 56.287 -0.017 0.000 0.947 165 K CB 0.332 32.824 32.500 -0.013 0.000 1.007 165 K HN 0.231 8.479 8.250 -0.004 0.000 0.478 166 V N 8.092 127.996 119.914 -0.016 0.000 2.656 166 V HA 0.241 4.376 4.120 0.025 0.000 0.307 166 V C -1.760 174.345 176.094 0.019 0.000 1.051 166 V CA -1.278 61.030 62.300 0.013 0.000 0.893 166 V CB 3.440 35.288 31.823 0.042 0.000 0.999 166 V HN 1.051 9.099 8.190 -0.055 0.108 0.426 167 L N 4.694 125.945 121.223 0.048 0.000 2.313 167 L HA 0.543 5.112 4.340 0.113 -0.161 0.283 167 L C -0.547 176.322 176.870 -0.002 0.000 1.013 167 L CA -1.274 53.602 54.840 0.060 0.000 0.816 167 L CB 1.246 43.355 42.059 0.084 0.000 1.236 167 L HN 0.257 8.512 8.230 0.042 0.000 0.419 168 L N 5.158 126.381 121.223 -0.001 0.000 2.297 168 L HA 0.415 4.766 4.340 0.019 0.000 0.277 168 L C -1.547 175.221 176.870 -0.169 0.000 1.040 168 L CA -0.239 54.606 54.840 0.008 0.000 0.867 168 L CB 0.894 43.058 42.059 0.175 0.000 1.244 168 L HN 0.644 8.908 8.230 0.056 0.000 0.433 169 T N 4.683 119.111 114.554 -0.210 0.000 3.130 169 T HA 0.199 4.542 4.350 -0.230 -0.131 0.288 169 T C -1.328 173.335 174.700 -0.063 0.000 0.936 169 T CA -1.859 60.088 62.100 -0.256 0.000 0.897 169 T CB 0.349 68.915 68.868 -0.504 0.000 1.178 169 T HN 0.161 8.325 8.240 -0.128 0.000 0.543 170 R N 0.000 120.494 120.500 -0.011 0.000 2.786 170 R HA 0.000 4.379 4.340 0.064 0.000 0.208 170 R CA 0.000 56.123 56.100 0.039 0.000 0.921 170 R CB 0.000 30.320 30.300 0.033 0.000 0.687 170 R HN 0.000 8.195 8.270 -0.015 0.066 0.535