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 1prr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MANITVFYNE DFQGKQVDLP PGNYTRAQLA ALGIENNTIS SVKVPPGVKA DATA SEQUENCE ILYQNDGFAG DQIEVVANAE ELGPLNNNVS SIRVISVPVQ PRARFFYKEQ DATA SEQUENCE FDGKEVDLPP GQYTQAELER YGIDNNTISS VKPQGLAVVL FKNDNFSGDT DATA SEQUENCE LPVNSDAPTL GAMNNNTSSI RIS 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 M HA 0.000 4.493 4.480 0.021 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.312 55.300 0.021 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 A N 0.521 123.358 122.820 0.029 0.000 2.583 2 A HA 0.460 4.801 4.320 0.035 0.000 0.289 2 A C -2.241 175.366 177.584 0.037 0.000 1.151 2 A CA -0.278 51.781 52.037 0.036 0.000 0.695 2 A CB 1.596 20.622 19.000 0.044 0.000 1.290 2 A HN 0.360 8.526 8.150 0.027 0.000 0.419 3 N N -3.040 115.687 118.700 0.045 0.000 4.383 3 N HA 0.080 4.935 4.740 0.048 -0.086 0.183 3 N C -1.682 173.863 175.510 0.058 0.000 1.040 3 N CA -0.361 52.715 53.050 0.044 0.000 1.126 3 N CB 0.864 39.365 38.487 0.024 0.000 1.593 3 N HN -0.154 8.256 8.380 0.051 0.000 0.856 4 I N -2.827 117.788 120.570 0.076 0.000 2.634 4 I HA 0.105 4.334 4.170 0.098 0.000 0.284 4 I C -1.108 175.052 176.117 0.072 0.000 1.124 4 I CA -0.373 60.983 61.300 0.094 0.000 1.417 4 I CB 0.672 38.747 38.000 0.125 0.000 1.396 4 I HN 0.027 8.287 8.210 0.083 0.000 0.571 5 T N 7.608 122.214 114.554 0.086 0.000 2.833 5 T HA 0.715 5.269 4.350 -0.024 -0.218 0.297 5 T C -0.057 174.671 174.700 0.047 0.000 1.015 5 T CA -1.005 61.109 62.100 0.024 0.000 0.963 5 T CB 0.733 69.616 68.868 0.025 0.000 0.955 5 T HN -0.162 8.151 8.240 0.121 0.000 0.449 6 V N 3.865 123.763 119.914 -0.028 0.000 3.262 6 V HA 0.642 5.028 4.120 0.234 -0.126 0.313 6 V C -1.952 174.037 176.094 -0.174 0.000 1.070 6 V CA -2.842 59.489 62.300 0.053 0.000 1.049 6 V CB 1.551 33.396 31.823 0.037 0.000 1.157 6 V HN 0.169 8.328 8.190 -0.051 0.000 0.454 7 F N -3.099 116.869 119.950 0.030 0.000 2.576 7 F HA 0.409 5.113 4.527 0.061 -0.141 0.313 7 F C 0.737 176.549 175.800 0.019 0.000 1.078 7 F CA -0.692 57.324 58.000 0.027 0.000 0.921 7 F CB 4.169 43.151 39.000 -0.031 0.000 1.232 7 F HN -0.437 8.031 8.300 0.280 0.000 0.459 8 Y N 2.066 122.414 120.300 0.080 0.000 2.286 8 Y HA 0.038 4.824 4.550 0.033 -0.216 0.293 8 Y C 0.191 176.119 175.900 0.047 0.000 1.124 8 Y CA 3.027 61.150 58.100 0.039 0.000 1.178 8 Y CB 1.126 39.587 38.460 0.000 0.000 1.010 8 Y HN 0.621 8.909 8.280 0.357 0.206 0.536 9 N N -3.389 115.423 118.700 0.186 0.000 2.459 9 N HA 0.128 4.917 4.740 0.080 0.000 0.288 9 N C -1.716 173.823 175.510 0.048 0.000 1.186 9 N CA -0.826 52.277 53.050 0.089 0.000 0.917 9 N CB 2.260 40.781 38.487 0.056 0.000 1.219 9 N HN -0.624 7.811 8.380 0.221 0.077 0.525 10 E N -1.329 118.887 120.200 0.027 0.000 2.391 10 E HA -0.199 4.166 4.350 0.024 0.000 0.255 10 E C 0.462 177.059 176.600 -0.005 0.000 1.187 10 E CA 1.092 57.502 56.400 0.017 0.000 0.941 10 E CB 0.834 30.547 29.700 0.022 0.000 1.010 10 E HN 0.169 8.547 8.360 0.030 0.000 0.458 11 D N -1.385 119.019 120.400 0.007 0.000 2.947 11 D HA -0.319 4.344 4.640 0.038 0.000 0.224 11 D C -1.184 175.137 176.300 0.036 0.000 1.132 11 D CA 1.226 55.240 54.000 0.023 0.000 0.801 11 D CB -1.430 39.384 40.800 0.024 0.000 1.097 11 D HN 0.536 8.917 8.370 0.017 0.000 0.431 12 F N -7.170 112.617 119.950 -0.272 0.000 2.890 12 F HA -0.524 3.478 4.527 -0.876 0.000 0.346 12 F C -2.204 173.238 175.800 -0.596 0.000 0.660 12 F CA 1.735 59.340 58.000 -0.658 0.000 1.091 12 F CB -0.835 37.795 39.000 -0.616 0.000 1.535 12 F HN -0.423 7.834 8.300 -0.046 0.015 0.314 13 Q N 0.415 119.824 119.800 -0.651 0.000 2.237 13 Q HA 0.094 3.873 4.340 -0.935 0.000 0.219 13 Q C -0.926 175.010 176.000 -0.107 0.000 0.999 13 Q CA -0.016 55.471 55.803 -0.528 0.000 0.959 13 Q CB 2.496 31.095 28.738 -0.232 0.000 1.173 13 Q HN -0.778 7.191 8.270 -0.287 0.128 0.527 14 G N -2.273 106.508 108.800 -0.032 0.000 2.895 14 G HA2 -0.384 3.656 3.960 0.038 0.000 0.686 14 G HA3 -0.384 3.837 3.960 0.154 -0.169 0.686 14 G C -0.968 174.005 174.900 0.121 0.000 1.108 14 G CA -0.608 44.544 45.100 0.087 0.000 0.761 14 G HN 0.106 8.334 8.290 -0.103 0.000 0.611 15 K N 1.979 122.386 120.400 0.013 0.000 2.604 15 K HA -0.365 3.899 4.320 -0.093 0.000 0.278 15 K C -0.316 176.253 176.600 -0.052 0.000 0.975 15 K CA 1.564 57.805 56.287 -0.077 0.000 1.066 15 K CB 0.587 32.936 32.500 -0.252 0.000 0.840 15 K HN 0.372 8.603 8.250 -0.032 0.000 0.491 16 Q N -0.181 119.478 119.800 -0.233 0.000 2.378 16 Q HA 0.546 4.751 4.340 -0.430 -0.123 0.276 16 Q C -0.776 175.093 176.000 -0.218 0.000 1.083 16 Q CA -1.841 53.689 55.803 -0.456 0.000 0.856 16 Q CB 2.925 31.053 28.738 -1.016 0.000 1.383 16 Q HN -0.093 8.056 8.270 -0.202 0.000 0.458 17 V N 1.481 121.274 119.914 -0.202 0.000 2.777 17 V HA 0.133 4.203 4.120 -0.084 0.000 0.306 17 V C -2.204 173.841 176.094 -0.082 0.000 1.112 17 V CA -1.016 61.230 62.300 -0.090 0.000 0.917 17 V CB 4.091 35.908 31.823 -0.010 0.000 1.018 17 V HN 0.155 8.170 8.190 -0.291 0.000 0.426 18 D N 6.318 126.681 120.400 -0.061 0.000 2.249 18 D HA 0.403 5.204 4.640 -0.029 -0.178 0.246 18 D C -0.857 175.421 176.300 -0.036 0.000 1.114 18 D CA -0.847 53.130 54.000 -0.038 0.000 0.854 18 D CB 0.423 41.206 40.800 -0.030 0.000 1.132 18 D HN 0.011 8.345 8.370 -0.060 0.000 0.461 19 L N 2.546 123.755 121.223 -0.023 0.000 2.356 19 L HA 0.498 4.775 4.340 -0.104 0.000 0.277 19 L C -2.231 174.613 176.870 -0.042 0.000 0.996 19 L CA -2.996 51.804 54.840 -0.067 0.000 0.822 19 L CB 1.918 43.939 42.059 -0.063 0.000 1.256 19 L HN 0.594 8.826 8.230 0.004 0.000 0.413 20 P HA 0.272 4.693 4.420 0.003 0.000 0.270 20 P C -1.802 175.512 177.300 0.023 0.000 1.223 20 P CA -1.775 61.310 63.100 -0.025 0.000 0.785 20 P CB -0.958 30.717 31.700 -0.041 0.000 0.923 21 P HA -0.202 4.323 4.420 0.176 0.000 0.286 21 P C -0.526 176.878 177.300 0.174 0.000 1.278 21 P CA -0.109 63.069 63.100 0.131 0.000 0.785 21 P CB 0.509 32.263 31.700 0.090 0.000 1.269 22 G N -3.134 105.777 108.800 0.184 0.000 2.661 22 G HA2 -0.275 3.761 3.960 0.125 0.000 0.685 22 G HA3 -0.275 3.797 3.960 0.186 0.000 0.685 22 G C -2.547 172.533 174.900 0.300 0.000 1.298 22 G CA -0.770 44.447 45.100 0.196 0.000 0.855 22 G HN -0.348 8.032 8.290 0.150 0.000 0.560 23 N N -0.983 117.854 118.700 0.228 0.000 2.408 23 N HA 0.398 5.320 4.740 0.065 -0.143 0.280 23 N C -1.077 174.652 175.510 0.365 0.000 1.002 23 N CA -0.758 52.392 53.050 0.167 0.000 0.907 23 N CB 1.816 40.272 38.487 -0.051 0.000 1.161 23 N HN 0.077 8.557 8.380 0.166 0.000 0.488 24 Y N -0.223 120.259 120.300 0.303 0.000 2.728 24 Y HA 0.392 5.080 4.550 0.231 0.000 0.330 24 Y C -2.583 173.402 175.900 0.141 0.000 1.234 24 Y CA -1.717 56.517 58.100 0.223 0.000 1.070 24 Y CB 1.715 40.243 38.460 0.112 0.000 1.300 24 Y HN 0.094 8.153 8.280 -0.368 0.000 0.467 25 T N -5.869 108.769 114.554 0.141 0.000 2.591 25 T HA 0.401 4.698 4.350 -0.252 -0.099 0.274 25 T C 0.589 175.299 174.700 0.016 0.000 0.945 25 T CA -2.108 59.917 62.100 -0.126 0.000 1.087 25 T CB 2.393 71.063 68.868 -0.329 0.000 1.416 25 T HN -0.223 8.170 8.240 0.256 0.000 0.514 26 R N 2.059 122.525 120.500 -0.056 0.000 2.193 26 R HA -0.356 3.996 4.340 0.021 0.000 0.229 26 R C 1.136 177.445 176.300 0.015 0.000 1.110 26 R CA 3.301 59.396 56.100 -0.008 0.000 0.988 26 R CB -0.211 30.067 30.300 -0.037 0.000 0.871 26 R HN 0.586 8.773 8.270 -0.138 0.000 0.458 27 A N -1.639 121.189 122.820 0.013 0.000 1.835 27 A HA -0.322 4.005 4.320 0.013 0.000 0.215 27 A C 1.738 179.346 177.584 0.041 0.000 1.199 27 A CA 2.965 55.017 52.037 0.024 0.000 0.615 27 A CB -1.021 17.996 19.000 0.028 0.000 0.838 27 A HN -0.591 7.506 8.150 -0.010 0.047 0.444 28 Q N -0.911 118.932 119.800 0.072 0.000 2.061 28 Q HA -0.297 4.059 4.340 0.026 0.000 0.204 28 Q C 2.465 178.479 176.000 0.023 0.000 0.984 28 Q CA 2.765 58.596 55.803 0.047 0.000 0.846 28 Q CB -0.279 28.499 28.738 0.067 0.000 0.902 28 Q HN -0.106 8.226 8.270 0.103 0.000 0.421 29 L N -1.653 119.607 121.223 0.062 0.000 2.042 29 L HA -0.438 3.911 4.340 0.015 0.000 0.210 29 L C 1.819 178.704 176.870 0.024 0.000 1.076 29 L CA 2.608 57.475 54.840 0.044 0.000 0.749 29 L CB -0.345 41.763 42.059 0.081 0.000 0.893 29 L HN -0.407 7.895 8.230 0.118 -0.001 0.432 30 A N -2.648 120.186 122.820 0.024 0.000 1.986 30 A HA -0.366 3.964 4.320 0.016 0.000 0.220 30 A C 1.629 179.219 177.584 0.009 0.000 1.171 30 A CA 2.749 54.795 52.037 0.015 0.000 0.640 30 A CB -0.885 18.122 19.000 0.012 0.000 0.811 30 A HN 0.190 8.152 8.150 0.030 0.205 0.451 31 A N -2.426 120.397 122.820 0.006 0.000 1.930 31 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 31 A C 1.149 178.729 177.584 -0.006 0.000 1.175 31 A CA 2.210 54.246 52.037 -0.002 0.000 0.627 31 A CB -0.503 18.493 19.000 -0.007 0.000 0.815 31 A HN -0.275 7.744 8.150 0.009 0.137 0.443 32 L N -3.357 117.860 121.223 -0.009 0.000 2.004 32 L HA -0.039 4.291 4.340 -0.016 0.000 0.205 32 L C 1.675 178.548 176.870 0.005 0.000 1.089 32 L CA 1.560 56.394 54.840 -0.010 0.000 0.756 32 L CB 0.328 42.376 42.059 -0.019 0.000 0.900 32 L HN -0.571 7.537 8.230 -0.009 0.117 0.440 33 G N -4.920 103.892 108.800 0.020 0.000 3.685 33 G HA2 -0.211 3.765 3.960 0.027 0.000 0.215 33 G HA3 -0.211 3.769 3.960 0.033 0.000 0.215 33 G C -1.175 173.762 174.900 0.061 0.000 0.987 33 G CA -0.264 44.856 45.100 0.034 0.000 0.884 33 G HN -0.387 7.915 8.290 0.020 0.000 0.406 34 I N 3.598 124.211 120.570 0.071 0.000 2.519 34 I HA 0.045 4.293 4.170 0.130 0.000 0.287 34 I C -2.210 173.929 176.117 0.036 0.000 1.047 34 I CA -0.301 61.048 61.300 0.082 0.000 1.381 34 I CB 1.071 39.119 38.000 0.081 0.000 1.417 34 I HN -0.359 7.885 8.210 0.057 0.000 0.540 35 E N 3.009 123.215 120.200 0.011 0.000 2.417 35 E HA 0.035 4.391 4.350 0.009 0.000 0.280 35 E C -1.819 174.769 176.600 -0.021 0.000 1.112 35 E CA -1.103 55.299 56.400 0.003 0.000 0.863 35 E CB 1.886 31.595 29.700 0.014 0.000 1.346 35 E HN -0.285 8.077 8.360 0.003 0.000 0.443 36 N N -2.589 116.099 118.700 -0.019 0.000 1.210 36 N HA -0.534 4.292 4.740 -0.020 -0.098 0.127 36 N C -1.146 174.337 175.510 -0.045 0.000 0.844 36 N CA 2.027 55.062 53.050 -0.025 0.000 0.899 36 N CB -0.762 37.715 38.487 -0.016 0.000 1.086 36 N HN 0.276 8.649 8.380 -0.011 0.000 0.588 37 N N 1.252 119.924 118.700 -0.047 0.000 2.448 37 N HA -0.041 4.664 4.740 -0.058 0.000 0.250 37 N C -0.587 174.842 175.510 -0.136 0.000 1.136 37 N CA 0.918 53.929 53.050 -0.065 0.000 0.953 37 N CB -0.241 38.224 38.487 -0.036 0.000 1.251 37 N HN 0.206 8.567 8.380 -0.032 0.000 0.502 38 T N -1.300 113.133 114.554 -0.203 0.000 3.172 38 T HA 0.140 4.194 4.350 -0.494 0.000 0.261 38 T C 0.260 174.744 174.700 -0.360 0.000 0.854 38 T CA 0.056 61.880 62.100 -0.461 0.000 0.848 38 T CB 1.308 69.760 68.868 -0.693 0.000 1.267 38 T HN -0.108 8.046 8.240 -0.143 0.000 0.581 39 I N 3.025 123.493 120.570 -0.170 0.000 3.539 39 I HA -0.148 4.061 4.170 -0.060 -0.075 0.297 39 I C -0.935 175.182 176.117 -0.000 0.000 1.284 39 I CA 0.163 61.428 61.300 -0.058 0.000 1.355 39 I CB -2.296 35.701 38.000 -0.005 0.000 1.144 39 I HN 0.031 8.161 8.210 -0.135 0.000 0.495 40 S N 0.925 116.613 115.700 -0.022 0.000 2.390 40 S HA -0.378 4.097 4.470 0.008 0.000 0.234 40 S C 0.210 174.850 174.600 0.068 0.000 1.063 40 S CA 3.089 61.303 58.200 0.023 0.000 1.108 40 S CB 0.513 63.732 63.200 0.031 0.000 0.975 40 S HN 0.234 8.344 8.310 -0.095 0.144 0.442 41 S N -4.467 111.316 115.700 0.137 0.000 2.751 41 S HA 0.433 4.960 4.470 0.095 0.000 0.310 41 S C -1.958 172.796 174.600 0.256 0.000 1.128 41 S CA -0.743 57.547 58.200 0.150 0.000 0.931 41 S CB 2.909 66.141 63.200 0.053 0.000 1.177 41 S HN -0.870 7.554 8.310 0.187 -0.002 0.530 42 V N -0.955 119.096 119.914 0.230 0.000 2.969 42 V HA 0.206 4.670 4.120 0.352 -0.134 0.304 42 V C -2.394 173.846 176.094 0.242 0.000 1.192 42 V CA -0.583 61.877 62.300 0.267 0.000 0.962 42 V CB 5.018 36.944 31.823 0.172 0.000 1.045 42 V HN 0.300 8.573 8.190 0.139 0.000 0.428 43 K N 6.062 126.634 120.400 0.288 0.000 2.621 43 K HA 0.285 4.688 4.320 0.139 0.000 0.233 43 K C -2.452 174.242 176.600 0.157 0.000 0.972 43 K CA -1.079 55.340 56.287 0.221 0.000 0.988 43 K CB 1.443 34.157 32.500 0.356 0.000 1.187 43 K HN 0.464 8.894 8.250 0.299 0.000 0.471 44 V N 7.682 127.667 119.914 0.118 0.000 2.350 44 V HA 0.440 4.623 4.120 0.104 0.000 0.285 44 V C -2.529 173.614 176.094 0.083 0.000 1.014 44 V CA -3.797 58.566 62.300 0.105 0.000 0.831 44 V CB 2.250 34.143 31.823 0.118 0.000 1.000 44 V HN -0.254 7.908 8.190 0.104 0.090 0.433 45 P HA 0.338 4.786 4.420 0.046 0.000 0.274 45 P C -1.601 175.736 177.300 0.060 0.000 1.256 45 P CA -1.849 61.284 63.100 0.055 0.000 0.795 45 P CB -0.587 31.141 31.700 0.047 0.000 1.038 46 P HA -0.209 4.252 4.420 0.068 0.000 0.280 46 P C 0.823 178.153 177.300 0.050 0.000 1.278 46 P CA -0.198 62.936 63.100 0.056 0.000 0.787 46 P CB 1.090 32.819 31.700 0.048 0.000 1.163 47 G N -4.083 104.746 108.800 0.048 0.000 2.304 47 G HA2 -0.271 3.833 3.960 0.037 0.000 0.252 47 G HA3 -0.271 3.712 3.960 0.038 0.000 0.252 47 G C -1.328 173.599 174.900 0.045 0.000 1.014 47 G CA 0.630 45.755 45.100 0.041 0.000 0.619 47 G HN 0.475 8.795 8.290 0.049 0.000 0.525 48 V N -5.271 114.675 119.914 0.054 0.000 2.777 48 V HA 0.424 4.664 4.120 0.051 -0.089 0.306 48 V C -2.526 173.608 176.094 0.067 0.000 1.112 48 V CA -2.851 59.483 62.300 0.058 0.000 0.917 48 V CB 2.269 34.129 31.823 0.062 0.000 1.018 48 V HN -0.947 7.155 8.190 0.058 0.123 0.426 49 K N 5.060 125.497 120.400 0.061 0.000 2.159 49 K HA 0.422 4.876 4.320 0.075 -0.090 0.266 49 K C -1.655 174.984 176.600 0.065 0.000 0.975 49 K CA -1.459 54.866 56.287 0.063 0.000 0.865 49 K CB 3.018 35.545 32.500 0.045 0.000 1.087 49 K HN -0.223 8.060 8.250 0.054 0.000 0.446 50 A N 5.246 128.108 122.820 0.070 0.000 2.337 50 A HA 0.653 5.126 4.320 0.076 -0.107 0.331 50 A C -2.203 175.400 177.584 0.031 0.000 1.137 50 A CA -2.231 49.848 52.037 0.069 0.000 0.807 50 A CB 3.496 22.552 19.000 0.093 0.000 1.250 50 A HN 0.988 9.184 8.150 0.077 0.000 0.468 51 I N 0.923 121.504 120.570 0.019 0.000 2.497 51 I HA 0.431 4.705 4.170 -0.100 -0.164 0.284 51 I C -1.371 174.685 176.117 -0.101 0.000 1.060 51 I CA -1.055 60.207 61.300 -0.064 0.000 1.071 51 I CB 2.771 40.753 38.000 -0.030 0.000 1.216 51 I HN 0.422 8.565 8.210 0.047 0.095 0.442 52 L N 6.227 127.345 121.223 -0.175 0.000 2.399 52 L HA 0.219 4.547 4.340 -0.020 0.000 0.265 52 L C -0.958 175.706 176.870 -0.345 0.000 1.089 52 L CA -0.245 54.514 54.840 -0.134 0.000 0.802 52 L CB 1.593 43.612 42.059 -0.067 0.000 1.180 52 L HN 0.107 8.140 8.230 -0.170 0.095 0.454 53 Y N -0.281 120.016 120.300 -0.004 0.000 2.322 53 Y HA 0.224 4.781 4.550 0.011 0.000 0.324 53 Y C -0.596 175.288 175.900 -0.028 0.000 1.027 53 Y CA -0.508 57.592 58.100 -0.000 0.000 1.179 53 Y CB 1.450 39.929 38.460 0.032 0.000 1.136 53 Y HN 0.709 9.048 8.280 0.099 0.000 0.449 54 Q N 4.584 124.440 119.800 0.095 0.000 1.858 54 Q HA -0.421 4.081 4.340 0.025 -0.147 0.240 54 Q C 0.967 176.990 176.000 0.038 0.000 1.014 54 Q CA 3.125 58.956 55.803 0.047 0.000 0.884 54 Q CB 0.425 29.183 28.738 0.034 0.000 0.957 54 Q HN 0.139 8.447 8.270 0.063 0.000 0.419 55 N N -1.864 116.860 118.700 0.040 0.000 2.395 55 N HA -0.119 4.613 4.740 -0.013 0.000 0.246 55 N C -0.339 175.142 175.510 -0.049 0.000 1.246 55 N CA 0.136 53.185 53.050 -0.002 0.000 0.879 55 N CB 0.880 39.369 38.487 0.004 0.000 1.098 55 N HN -0.445 7.970 8.380 0.058 0.000 0.444 56 D N 0.514 120.856 120.400 -0.097 0.000 2.278 56 D HA -0.249 4.248 4.640 -0.240 0.000 0.240 56 D C 1.325 177.439 176.300 -0.311 0.000 1.347 56 D CA 1.639 55.515 54.000 -0.207 0.000 0.945 56 D CB 0.215 40.916 40.800 -0.166 0.000 1.175 56 D HN 0.103 8.430 8.370 -0.072 0.000 0.519 57 G N -3.054 105.417 108.800 -0.548 0.000 2.258 57 G HA2 -0.394 3.095 3.960 -0.785 0.000 0.274 57 G HA3 -0.394 3.414 3.960 -0.253 0.000 0.274 57 G C -0.524 174.074 174.900 -0.504 0.000 1.021 57 G CA 0.501 45.255 45.100 -0.577 0.000 0.798 57 G HN 0.069 8.007 8.290 -0.587 0.000 0.507 58 F N -4.574 115.226 119.950 -0.251 0.000 2.905 58 F HA -0.578 3.572 4.527 -0.628 0.000 0.291 58 F C -1.374 174.125 175.800 -0.502 0.000 1.002 58 F CA 0.967 58.581 58.000 -0.644 0.000 0.978 58 F CB -2.957 35.545 39.000 -0.830 0.000 1.036 58 F HN -0.405 7.225 8.300 -1.062 0.032 0.820 59 A N -2.147 120.653 122.820 -0.034 0.000 2.524 59 A HA 0.344 4.725 4.320 0.102 0.000 0.286 59 A C -1.369 176.316 177.584 0.168 0.000 1.203 59 A CA -0.542 51.543 52.037 0.081 0.000 0.736 59 A CB 3.034 22.041 19.000 0.011 0.000 1.322 59 A HN 0.169 8.299 8.150 -0.032 0.000 0.424 60 G N -2.612 106.260 108.800 0.120 0.000 2.855 60 G HA2 -0.287 3.710 3.960 0.061 0.000 0.352 60 G HA3 -0.287 3.783 3.960 0.072 -0.067 0.352 60 G C -1.102 173.861 174.900 0.104 0.000 1.415 60 G CA -0.570 44.584 45.100 0.090 0.000 0.871 60 G HN -0.144 8.203 8.290 0.095 0.000 0.543 61 D N 0.682 121.113 120.400 0.050 0.000 2.658 61 D HA -0.134 4.516 4.640 0.016 0.000 0.230 61 D C 0.031 176.317 176.300 -0.023 0.000 1.118 61 D CA 1.624 55.633 54.000 0.015 0.000 0.848 61 D CB 0.455 41.255 40.800 0.000 0.000 1.160 61 D HN -0.034 8.359 8.370 0.038 0.000 0.497 62 Q N 0.959 120.706 119.800 -0.089 0.000 2.257 62 Q HA 0.652 4.894 4.340 -0.393 -0.139 0.262 62 Q C -0.883 174.961 176.000 -0.260 0.000 0.997 62 Q CA -1.776 53.832 55.803 -0.326 0.000 0.873 62 Q CB 3.161 31.582 28.738 -0.528 0.000 1.312 62 Q HN 0.156 8.395 8.270 -0.051 0.000 0.450 63 I N 0.029 120.418 120.570 -0.302 0.000 3.002 63 I HA 0.327 4.408 4.170 -0.149 0.000 0.310 63 I C -1.757 174.248 176.117 -0.186 0.000 1.087 63 I CA -2.234 58.957 61.300 -0.181 0.000 1.017 63 I CB 3.363 41.301 38.000 -0.104 0.000 1.226 63 I HN 0.642 8.482 8.210 -0.418 0.119 0.443 64 E N 2.002 122.118 120.200 -0.139 0.000 2.290 64 E HA 0.736 5.195 4.350 -0.092 -0.164 0.274 64 E C -1.510 175.030 176.600 -0.101 0.000 0.889 64 E CA -0.971 55.360 56.400 -0.114 0.000 0.760 64 E CB 2.863 32.489 29.700 -0.124 0.000 1.206 64 E HN 0.006 8.284 8.360 -0.137 0.000 0.419 65 V N -1.424 118.486 119.914 -0.007 0.000 3.188 65 V HA 0.706 4.834 4.120 0.014 0.000 0.305 65 V C -1.792 174.394 176.094 0.153 0.000 1.232 65 V CA -2.880 59.487 62.300 0.111 0.000 1.043 65 V CB 3.248 35.224 31.823 0.255 0.000 1.068 65 V HN 0.889 9.082 8.190 0.006 0.000 0.439 66 V N -1.849 118.218 119.914 0.255 0.000 3.356 66 V HA 0.432 4.633 4.120 0.136 0.000 0.274 66 V C -1.055 175.146 176.094 0.178 0.000 1.631 66 V CA -0.423 61.987 62.300 0.183 0.000 1.025 66 V CB 2.444 34.365 31.823 0.163 0.000 0.840 66 V HN -0.055 8.400 8.190 0.443 0.000 0.419 67 A N -1.107 121.848 122.820 0.225 0.000 3.184 67 A HA 0.689 5.164 4.320 0.061 -0.118 0.206 67 A C -1.620 175.974 177.584 0.016 0.000 1.262 67 A CA -2.125 49.952 52.037 0.067 0.000 0.891 67 A CB 2.426 21.392 19.000 -0.056 0.000 1.526 67 A HN -0.575 7.812 8.150 0.394 0.000 0.508 68 N N -0.866 117.781 118.700 -0.089 0.000 2.414 68 N HA 0.056 4.896 4.740 0.024 -0.085 0.256 68 N C -1.603 173.824 175.510 -0.138 0.000 1.029 68 N CA -1.025 51.987 53.050 -0.064 0.000 0.948 68 N CB 0.423 38.860 38.487 -0.083 0.000 1.102 68 N HN -0.288 8.216 8.380 -0.137 -0.207 0.496 69 A N 4.379 127.188 122.820 -0.019 0.000 2.302 69 A HA 0.265 4.739 4.320 -0.104 -0.217 0.295 69 A C -0.198 177.386 177.584 0.001 0.000 1.235 69 A CA -1.337 50.702 52.037 0.003 0.000 0.876 69 A CB 1.401 20.488 19.000 0.145 0.000 1.133 69 A HN 0.500 8.685 8.150 0.059 0.000 0.533 70 E N 5.537 125.715 120.200 -0.036 0.000 2.004 70 E HA -0.244 4.088 4.350 -0.030 0.000 0.193 70 E C 1.730 178.343 176.600 0.021 0.000 0.985 70 E CA 2.749 59.139 56.400 -0.016 0.000 0.832 70 E CB 0.298 29.990 29.700 -0.013 0.000 0.787 70 E HN 0.368 8.682 8.360 -0.078 0.000 0.466 71 E N -3.005 117.214 120.200 0.031 0.000 2.478 71 E HA -0.214 4.158 4.350 0.036 0.000 0.198 71 E C 1.310 177.940 176.600 0.049 0.000 1.046 71 E CA 1.626 58.050 56.400 0.040 0.000 0.870 71 E CB -0.372 29.352 29.700 0.040 0.000 0.818 71 E HN 0.250 8.626 8.360 0.026 0.000 0.527 72 L N -5.657 115.605 121.223 0.065 0.000 3.730 72 L HA -0.435 3.967 4.340 0.102 0.000 0.053 72 L C -0.871 176.040 176.870 0.068 0.000 4.266 72 L CA 2.711 57.598 54.840 0.077 0.000 0.726 72 L CB -0.525 41.570 42.059 0.059 0.000 3.467 72 L HN 0.002 8.206 8.230 0.065 0.065 0.870 73 G N -6.564 102.263 108.800 0.045 0.000 2.342 73 G HA2 0.236 4.219 3.960 0.038 0.000 0.297 73 G HA3 0.236 4.211 3.960 0.026 0.000 0.297 73 G C -2.795 172.118 174.900 0.022 0.000 1.313 73 G CA 0.089 45.209 45.100 0.033 0.000 0.830 73 G HN -0.581 7.711 8.290 0.040 0.022 0.506 74 P HA -0.013 4.415 4.420 0.014 0.000 0.218 74 P C 0.684 177.989 177.300 0.008 0.000 1.152 74 P CA 1.315 64.422 63.100 0.012 0.000 0.826 74 P CB 0.263 31.968 31.700 0.009 0.000 0.790 75 L N -7.032 114.194 121.223 0.005 0.000 2.693 75 L HA 0.172 4.514 4.340 0.003 0.000 0.242 75 L C 0.213 177.084 176.870 0.002 0.000 1.157 75 L CA 0.183 55.024 54.840 0.002 0.000 0.929 75 L CB -1.860 40.198 42.059 -0.002 0.000 1.103 75 L HN -0.263 7.969 8.230 0.004 0.000 0.430 76 N N -0.585 118.118 118.700 0.005 0.000 2.609 76 N HA -0.295 4.446 4.740 0.002 0.000 0.190 76 N C 0.314 175.821 175.510 -0.005 0.000 1.157 76 N CA 1.810 54.862 53.050 0.003 0.000 0.918 76 N CB -0.396 38.097 38.487 0.011 0.000 0.978 76 N HN -0.419 7.845 8.380 0.009 0.121 0.448 77 N N -1.292 117.407 118.700 -0.002 0.000 2.461 77 N HA -0.079 4.657 4.740 -0.006 0.000 0.188 77 N C -1.231 174.274 175.510 -0.008 0.000 1.134 77 N CA 0.369 53.416 53.050 -0.004 0.000 0.878 77 N CB 0.507 38.994 38.487 0.000 0.000 0.972 77 N HN -0.529 7.746 8.380 0.001 0.105 0.456 78 N N -2.193 116.502 118.700 -0.009 0.000 2.929 78 N HA -0.001 4.730 4.740 -0.016 0.000 0.245 78 N C -2.817 172.687 175.510 -0.009 0.000 1.081 78 N CA 0.414 53.458 53.050 -0.011 0.000 1.048 78 N CB 1.885 40.369 38.487 -0.005 0.000 1.629 78 N HN -0.349 7.940 8.380 -0.008 0.086 0.598 79 V N 0.902 120.808 119.914 -0.014 0.000 3.188 79 V HA 0.319 4.440 4.120 0.002 0.000 0.305 79 V C -2.179 173.909 176.094 -0.010 0.000 1.232 79 V CA -1.252 61.044 62.300 -0.007 0.000 1.043 79 V CB 3.989 35.808 31.823 -0.007 0.000 1.068 79 V HN -0.194 7.853 8.190 -0.021 0.130 0.439 80 S N -0.944 114.751 115.700 -0.007 0.000 2.453 80 S HA 0.005 4.478 4.470 0.005 0.000 0.185 80 S C -1.029 173.540 174.600 -0.052 0.000 0.794 80 S CA 1.244 59.432 58.200 -0.020 0.000 1.376 80 S CB 1.105 64.278 63.200 -0.045 0.000 0.954 80 S HN 0.151 8.462 8.310 0.002 0.000 0.339 81 S N 2.167 117.817 115.700 -0.084 0.000 2.489 81 S HA 0.394 4.817 4.470 -0.283 -0.123 0.291 81 S C -1.651 172.938 174.600 -0.018 0.000 1.151 81 S CA 0.114 58.208 58.200 -0.177 0.000 1.082 81 S CB 1.334 64.338 63.200 -0.327 0.000 1.019 81 S HN -0.773 7.513 8.310 -0.039 0.000 0.492 82 I N 0.360 120.825 120.570 -0.175 0.000 3.102 82 I HA 0.693 5.068 4.170 0.122 -0.132 0.310 82 I C -1.865 174.161 176.117 -0.152 0.000 1.246 82 I CA -1.316 59.901 61.300 -0.139 0.000 0.979 82 I CB 4.834 42.655 38.000 -0.298 0.000 1.267 82 I HN 0.135 8.124 8.210 -0.369 0.000 0.451 83 R N 1.258 121.773 120.500 0.025 0.000 2.518 83 R HA 0.351 4.818 4.340 -0.014 -0.136 0.287 83 R C -2.190 174.153 176.300 0.072 0.000 1.135 83 R CA -0.748 55.380 56.100 0.045 0.000 0.967 83 R CB 3.952 34.318 30.300 0.110 0.000 1.212 83 R HN 0.691 8.897 8.270 0.065 0.103 0.422 84 V N 4.967 124.941 119.914 0.099 0.000 2.604 84 V HA 0.789 5.129 4.120 0.081 -0.171 0.305 84 V C -1.065 175.078 176.094 0.081 0.000 1.043 84 V CA -1.958 60.403 62.300 0.102 0.000 0.888 84 V CB 2.491 34.400 31.823 0.143 0.000 0.995 84 V HN 0.159 8.424 8.190 0.125 0.000 0.429 85 I N 4.670 125.276 120.570 0.060 0.000 2.534 85 I HA 0.328 4.527 4.170 0.048 0.000 0.288 85 I C -0.586 175.556 176.117 0.042 0.000 1.077 85 I CA -1.112 60.215 61.300 0.045 0.000 1.051 85 I CB 2.832 40.849 38.000 0.028 0.000 1.234 85 I HN 0.566 8.811 8.210 0.058 0.000 0.425 86 S N 6.572 122.296 115.700 0.040 0.000 2.599 86 S HA -0.236 4.258 4.470 0.042 0.000 0.303 86 S C -0.907 173.712 174.600 0.032 0.000 1.267 86 S CA 1.219 59.441 58.200 0.036 0.000 1.055 86 S CB 0.240 63.459 63.200 0.030 0.000 0.790 86 S HN 0.346 8.680 8.310 0.040 0.000 0.500 87 V N 4.123 124.057 119.914 0.034 0.000 2.876 87 V HA 0.423 4.558 4.120 0.026 0.000 0.312 87 V C -2.502 173.610 176.094 0.030 0.000 1.085 87 V CA -3.591 58.728 62.300 0.031 0.000 0.945 87 V CB 3.667 35.512 31.823 0.037 0.000 1.017 87 V HN 0.555 8.650 8.190 0.038 0.117 0.428 88 P HA 0.010 4.443 4.420 0.022 0.000 0.264 88 P C -1.978 175.339 177.300 0.029 0.000 1.183 88 P CA -0.046 63.069 63.100 0.024 0.000 0.763 88 P CB 0.408 32.120 31.700 0.020 0.000 0.807 89 V N 1.913 121.844 119.914 0.027 0.000 2.555 89 V HA -0.006 4.135 4.120 0.035 0.000 0.286 89 V C -1.090 175.022 176.094 0.030 0.000 1.044 89 V CA 0.118 62.436 62.300 0.030 0.000 1.026 89 V CB 0.512 32.350 31.823 0.026 0.000 0.981 89 V HN 0.023 8.228 8.190 0.024 0.000 0.480 90 Q N 7.779 127.601 119.800 0.036 0.000 2.421 90 Q HA 0.466 4.824 4.340 0.030 0.000 0.280 90 Q C -2.034 173.989 176.000 0.039 0.000 1.085 90 Q CA -3.284 52.541 55.803 0.037 0.000 0.807 90 Q CB 0.870 29.634 28.738 0.044 0.000 1.405 90 Q HN 0.083 8.377 8.270 0.041 0.000 0.419 91 P HA -0.036 4.399 4.420 0.025 0.000 0.293 91 P C -1.710 175.616 177.300 0.043 0.000 1.285 91 P CA 0.032 63.150 63.100 0.030 0.000 0.775 91 P CB 0.674 32.388 31.700 0.023 0.000 1.351 92 R N -8.135 112.386 120.500 0.036 0.000 3.340 92 R HA 0.062 4.447 4.340 0.075 0.000 0.264 92 R C -2.161 174.154 176.300 0.025 0.000 0.954 92 R CA -0.458 55.673 56.100 0.051 0.000 0.808 92 R CB 1.747 32.079 30.300 0.054 0.000 1.619 92 R HN -0.117 8.166 8.270 0.022 0.000 0.428 93 A N -2.092 120.749 122.820 0.036 0.000 2.524 93 A HA 0.448 4.813 4.320 -0.095 -0.102 0.286 93 A C -2.393 175.146 177.584 -0.074 0.000 1.203 93 A CA -1.372 50.632 52.037 -0.056 0.000 0.736 93 A CB 3.706 22.667 19.000 -0.065 0.000 1.322 93 A HN -0.064 8.134 8.150 0.079 0.000 0.424 94 R N -1.485 118.835 120.500 -0.300 0.000 2.522 94 R HA 0.580 5.117 4.340 0.020 -0.184 0.283 94 R C -2.133 173.938 176.300 -0.381 0.000 1.074 94 R CA -0.510 55.476 56.100 -0.190 0.000 0.925 94 R CB 3.457 33.675 30.300 -0.138 0.000 1.205 94 R HN -0.394 7.590 8.270 -0.477 0.000 0.436 95 F N 3.018 122.913 119.950 -0.092 0.000 2.482 95 F HA 0.382 4.977 4.527 0.113 0.000 0.331 95 F C -0.836 174.948 175.800 -0.027 0.000 1.115 95 F CA -1.465 56.536 58.000 0.001 0.000 0.955 95 F CB 1.750 40.723 39.000 -0.044 0.000 1.136 95 F HN 0.761 9.293 8.300 0.388 0.000 0.452 96 F N 0.165 120.221 119.950 0.177 0.000 2.321 96 F HA 0.038 4.773 4.527 0.184 -0.098 0.318 96 F C -0.544 175.388 175.800 0.219 0.000 1.129 96 F CA 0.569 58.678 58.000 0.181 0.000 1.074 96 F CB 1.905 40.993 39.000 0.146 0.000 1.432 96 F HN 0.458 9.096 8.300 0.562 0.000 0.502 97 Y N -0.921 119.505 120.300 0.210 0.000 2.435 97 Y HA 0.135 4.898 4.550 0.069 -0.171 0.251 97 Y C 0.194 176.144 175.900 0.083 0.000 1.077 97 Y CA 1.192 59.347 58.100 0.092 0.000 1.243 97 Y CB 2.375 40.853 38.460 0.029 0.000 1.107 97 Y HN -0.539 7.977 8.280 0.553 0.095 0.496 98 K N -0.674 119.870 120.400 0.240 0.000 2.469 98 K HA -0.183 4.181 4.320 0.074 0.000 0.274 98 K C -0.478 176.155 176.600 0.056 0.000 0.983 98 K CA 0.449 56.794 56.287 0.097 0.000 0.974 98 K CB 0.121 32.649 32.500 0.047 0.000 0.913 98 K HN -0.353 8.080 8.250 0.306 0.000 0.493 99 E N 2.942 123.155 120.200 0.021 0.000 1.939 99 E HA -0.313 4.056 4.350 0.031 0.000 0.259 99 E C -0.521 176.073 176.600 -0.010 0.000 1.259 99 E CA 1.411 57.819 56.400 0.013 0.000 0.971 99 E CB -0.679 29.024 29.700 0.006 0.000 1.055 99 E HN 0.245 8.614 8.360 0.015 0.000 0.420 100 Q N 6.193 125.988 119.800 -0.009 0.000 2.049 100 Q HA -0.221 4.342 4.340 0.116 -0.153 0.274 100 Q C -1.119 174.762 176.000 -0.199 0.000 0.796 100 Q CA 0.177 55.977 55.803 -0.005 0.000 0.874 100 Q CB -1.842 26.855 28.738 -0.068 0.000 0.921 100 Q HN 0.086 8.365 8.270 0.016 0.000 0.540 101 F N -3.910 115.834 119.950 -0.343 0.000 3.014 101 F HA -0.386 3.503 4.527 -1.063 0.000 0.254 101 F C -1.116 174.524 175.800 -0.266 0.000 0.977 101 F CA 0.780 58.259 58.000 -0.868 0.000 0.848 101 F CB -1.331 36.843 39.000 -1.377 0.000 0.784 101 F HN -0.667 7.619 8.300 -0.024 0.000 0.740 102 D N -0.077 120.049 120.400 -0.457 0.000 2.755 102 D HA 0.099 4.438 4.640 -0.502 0.000 0.257 102 D C -1.460 174.811 176.300 -0.048 0.000 1.291 102 D CA -1.028 52.746 54.000 -0.378 0.000 0.836 102 D CB 0.281 40.847 40.800 -0.390 0.000 1.059 102 D HN -0.519 7.656 8.370 -0.258 0.040 0.486 103 G N -3.477 105.419 108.800 0.159 0.000 2.718 103 G HA2 0.057 4.044 3.960 0.046 0.000 0.295 103 G HA3 0.057 4.244 3.960 0.234 -0.087 0.295 103 G C -1.316 173.655 174.900 0.119 0.000 1.421 103 G CA -0.848 44.344 45.100 0.152 0.000 0.902 103 G HN -0.726 7.706 8.290 0.361 0.075 0.501 104 K N 0.311 120.624 120.400 -0.145 0.000 2.579 104 K HA -0.261 3.896 4.320 -0.272 0.000 0.277 104 K C -0.430 176.019 176.600 -0.252 0.000 0.985 104 K CA 1.691 57.784 56.287 -0.323 0.000 1.088 104 K CB 0.609 32.733 32.500 -0.626 0.000 0.836 104 K HN 0.156 8.289 8.250 -0.195 0.000 0.487 105 E N 1.040 121.022 120.200 -0.365 0.000 2.227 105 E HA 0.515 4.828 4.350 -0.361 -0.180 0.268 105 E C -0.828 175.615 176.600 -0.262 0.000 0.990 105 E CA -1.775 54.359 56.400 -0.443 0.000 0.856 105 E CB 1.847 31.060 29.700 -0.811 0.000 1.159 105 E HN -0.195 7.944 8.360 -0.368 0.000 0.401 106 V N 2.059 121.884 119.914 -0.147 0.000 2.686 106 V HA 0.212 4.237 4.120 -0.158 0.000 0.306 106 V C -2.179 173.906 176.094 -0.015 0.000 1.065 106 V CA -1.414 60.825 62.300 -0.102 0.000 0.894 106 V CB 4.279 36.055 31.823 -0.078 0.000 1.004 106 V HN 0.795 8.915 8.190 -0.117 0.000 0.424 107 D N 5.353 125.715 120.400 -0.065 0.000 2.268 107 D HA 0.495 5.374 4.640 0.095 -0.182 0.249 107 D C -1.467 174.810 176.300 -0.039 0.000 1.008 107 D CA -2.473 51.528 54.000 0.003 0.000 0.939 107 D CB 2.106 42.891 40.800 -0.025 0.000 1.170 107 D HN 0.096 8.397 8.370 -0.116 0.000 0.468 108 L N -2.047 119.208 121.223 0.053 0.000 2.516 108 L HA 0.449 4.761 4.340 -0.047 0.000 0.267 108 L C -2.418 174.524 176.870 0.121 0.000 0.957 108 L CA -2.395 52.448 54.840 0.005 0.000 0.860 108 L CB 3.438 45.407 42.059 -0.150 0.000 1.265 108 L HN -0.446 7.861 8.230 0.129 0.000 0.403 109 P HA 0.250 4.754 4.420 0.140 0.000 0.273 109 P C -2.124 175.332 177.300 0.260 0.000 1.250 109 P CA -2.227 60.991 63.100 0.197 0.000 0.793 109 P CB -0.895 30.926 31.700 0.201 0.000 1.011 110 P HA -0.296 4.237 4.420 0.189 0.000 0.268 110 P C -0.639 176.778 177.300 0.195 0.000 1.208 110 P CA 0.226 63.431 63.100 0.176 0.000 0.777 110 P CB 0.386 32.146 31.700 0.100 0.000 0.875 111 G N -0.429 108.477 108.800 0.177 0.000 2.347 111 G HA2 -0.167 3.775 3.960 -0.030 0.000 0.341 111 G HA3 -0.167 3.731 3.960 -0.103 0.000 0.341 111 G C -3.010 171.893 174.900 0.004 0.000 1.287 111 G CA -0.615 44.490 45.100 0.009 0.000 0.984 111 G HN -0.477 7.926 8.290 0.187 0.000 0.526 112 Q N -0.349 119.271 119.800 -0.300 0.000 2.248 112 Q HA 0.540 5.088 4.340 0.159 -0.113 0.263 112 Q C -0.914 174.760 176.000 -0.543 0.000 1.007 112 Q CA -1.179 54.520 55.803 -0.174 0.000 0.877 112 Q CB 3.257 31.877 28.738 -0.196 0.000 1.315 112 Q HN 0.032 8.083 8.270 -0.365 0.000 0.454 113 Y N -0.661 119.703 120.300 0.107 0.000 2.562 113 Y HA 0.325 4.916 4.550 0.068 0.000 0.345 113 Y C 0.111 176.114 175.900 0.171 0.000 1.045 113 Y CA -1.268 56.896 58.100 0.107 0.000 1.028 113 Y CB 4.176 42.692 38.460 0.093 0.000 1.297 113 Y HN 0.347 8.867 8.280 0.400 0.000 0.463 114 T N -0.616 114.097 114.554 0.265 0.000 3.204 114 T HA 0.099 4.613 4.350 0.273 0.000 0.312 114 T C 0.687 175.493 174.700 0.176 0.000 1.254 114 T CA -0.996 61.234 62.100 0.217 0.000 0.913 114 T CB 1.737 70.688 68.868 0.138 0.000 2.143 114 T HN 0.029 8.401 8.240 0.220 0.000 0.569 115 Q N -0.702 119.167 119.800 0.115 0.000 2.247 115 Q HA 0.250 4.850 4.340 0.084 -0.210 0.211 115 Q C -0.018 176.018 176.000 0.060 0.000 0.861 115 Q CA 0.259 56.110 55.803 0.079 0.000 0.949 115 Q CB 0.325 29.097 28.738 0.056 0.000 1.115 115 Q HN 0.293 8.622 8.270 0.097 0.000 0.507 116 A N 0.774 123.633 122.820 0.065 0.000 1.919 116 A HA 0.085 4.429 4.320 0.040 0.000 0.211 116 A C 0.955 178.578 177.584 0.065 0.000 1.310 116 A CA 1.946 54.013 52.037 0.050 0.000 0.651 116 A CB 1.195 20.217 19.000 0.037 0.000 0.996 116 A HN 0.237 8.383 8.150 0.077 0.051 0.479 117 E N -1.364 118.882 120.200 0.077 0.000 2.028 117 E HA -0.359 4.041 4.350 0.084 0.000 0.191 117 E C 1.383 178.092 176.600 0.181 0.000 0.988 117 E CA 2.216 58.676 56.400 0.100 0.000 0.799 117 E CB -0.669 29.060 29.700 0.048 0.000 0.755 117 E HN -0.576 7.827 8.360 0.073 0.000 0.447 118 L N 0.409 121.752 121.223 0.200 0.000 2.012 118 L HA -0.441 4.044 4.340 0.243 0.000 0.236 118 L C 2.170 179.076 176.870 0.061 0.000 1.099 118 L CA 3.212 58.149 54.840 0.162 0.000 0.821 118 L CB -0.135 41.986 42.059 0.102 0.000 0.918 118 L HN -0.091 8.255 8.230 0.194 0.000 0.445 119 E N -2.925 117.290 120.200 0.025 0.000 2.035 119 E HA -0.436 3.922 4.350 -0.067 -0.048 0.204 119 E C 2.122 178.731 176.600 0.015 0.000 1.025 119 E CA 2.862 59.254 56.400 -0.013 0.000 0.835 119 E CB -0.609 29.090 29.700 -0.003 0.000 0.764 119 E HN 0.185 8.569 8.360 0.040 0.000 0.457 120 R N -4.658 115.875 120.500 0.056 0.000 2.391 120 R HA -0.081 4.287 4.340 0.048 0.000 0.225 120 R C -0.380 176.004 176.300 0.141 0.000 1.079 120 R CA -0.368 55.775 56.100 0.072 0.000 1.147 120 R CB -1.390 28.948 30.300 0.064 0.000 1.103 120 R HN -0.643 7.663 8.270 0.060 0.000 0.499 121 Y N -2.862 117.427 120.300 -0.018 0.000 2.423 121 Y HA 0.226 4.779 4.550 0.005 0.000 0.257 121 Y C -0.641 175.231 175.900 -0.047 0.000 1.087 121 Y CA -0.123 57.970 58.100 -0.012 0.000 1.258 121 Y CB 3.476 41.947 38.460 0.018 0.000 1.237 121 Y HN -0.174 7.931 8.280 0.122 0.248 0.517 122 G N -1.859 106.791 108.800 -0.250 0.000 2.371 122 G HA2 0.184 4.060 3.960 -0.409 0.000 0.205 122 G HA3 0.184 3.862 3.960 -0.469 0.000 0.205 122 G C -1.309 173.487 174.900 -0.173 0.000 1.486 122 G CA 0.960 45.844 45.100 -0.360 0.000 0.553 122 G HN -0.351 7.879 8.290 -0.100 0.000 1.124 123 I N -5.636 114.851 120.570 -0.138 0.000 2.872 123 I HA 0.566 4.767 4.170 0.052 0.000 0.284 123 I C -2.480 173.608 176.117 -0.049 0.000 0.511 123 I CA -1.324 59.937 61.300 -0.066 0.000 3.156 123 I CB 0.799 38.694 38.000 -0.176 0.000 1.529 123 I HN -0.507 7.610 8.210 -0.156 0.000 0.540 124 D N -2.898 117.445 120.400 -0.094 0.000 3.485 124 D HA 0.084 4.706 4.640 -0.029 0.001 0.358 124 D C -0.354 175.904 176.300 -0.069 0.000 1.487 124 D CA -0.204 53.762 54.000 -0.056 0.000 0.922 124 D CB 2.146 42.924 40.800 -0.035 0.000 1.479 124 D HN -0.343 7.939 8.370 -0.146 0.000 0.567 125 N N -1.585 117.087 118.700 -0.047 0.000 2.009 125 N HA -0.338 4.384 4.740 -0.031 0.000 0.195 125 N C -0.735 174.738 175.510 -0.062 0.000 1.076 125 N CA 2.451 55.477 53.050 -0.041 0.000 0.863 125 N CB 0.558 39.031 38.487 -0.024 0.000 1.062 125 N HN 0.058 8.418 8.380 -0.033 0.000 0.425 126 N N -1.985 116.676 118.700 -0.066 0.000 2.443 126 N HA 0.131 4.824 4.740 -0.078 0.000 0.269 126 N C -1.226 174.208 175.510 -0.127 0.000 0.985 126 N CA 0.545 53.548 53.050 -0.078 0.000 0.921 126 N CB 0.135 38.593 38.487 -0.048 0.000 1.195 126 N HN 0.022 8.369 8.380 -0.055 0.000 0.492 127 T N 0.724 115.169 114.554 -0.181 0.000 4.881 127 T HA -0.064 4.147 4.350 -0.232 0.000 0.309 127 T C -0.657 173.815 174.700 -0.379 0.000 0.953 127 T CA 1.069 62.979 62.100 -0.317 0.000 0.552 127 T CB -0.128 68.457 68.868 -0.472 0.000 0.856 127 T HN 0.317 8.466 8.240 -0.152 0.000 0.584 128 I N 0.048 120.488 120.570 -0.216 0.000 2.102 128 I HA -0.231 3.949 4.170 -0.131 -0.088 0.228 128 I C -0.098 176.026 176.117 0.013 0.000 1.057 128 I CA 2.350 63.595 61.300 -0.092 0.000 1.334 128 I CB 0.425 38.415 38.000 -0.016 0.000 1.096 128 I HN 0.235 8.343 8.210 -0.170 0.000 0.396 129 S N -4.061 111.661 115.700 0.038 0.000 3.883 129 S HA -0.341 4.150 4.470 0.035 0.000 0.629 129 S C -0.633 174.026 174.600 0.099 0.000 2.196 129 S CA 0.727 58.959 58.200 0.054 0.000 3.723 129 S CB -1.118 62.105 63.200 0.039 0.000 0.251 129 S HN 0.066 8.391 8.310 0.026 0.000 0.932 130 S N 5.157 120.914 115.700 0.096 0.000 2.810 130 S HA -0.183 4.486 4.470 0.039 -0.175 0.329 130 S C -0.210 174.477 174.600 0.146 0.000 1.231 130 S CA 1.964 60.216 58.200 0.087 0.000 1.042 130 S CB 0.415 63.648 63.200 0.054 0.000 0.756 130 S HN 0.127 8.486 8.310 0.081 0.000 0.504 131 V N 4.034 123.972 119.914 0.041 0.000 2.960 131 V HA 0.467 4.638 4.120 -0.073 -0.095 0.315 131 V C -1.268 174.771 176.094 -0.092 0.000 1.087 131 V CA -1.538 60.712 62.300 -0.084 0.000 0.982 131 V CB 3.332 35.034 31.823 -0.200 0.000 1.039 131 V HN 0.713 8.814 8.190 0.002 0.090 0.437 132 K N 1.628 121.920 120.400 -0.179 0.000 2.762 132 K HA 0.429 4.689 4.320 -0.102 0.000 0.272 132 K C -2.841 173.657 176.600 -0.170 0.000 1.093 132 K CA -2.571 53.657 56.287 -0.097 0.000 1.048 132 K CB 3.169 35.723 32.500 0.090 0.000 1.304 132 K HN 0.796 8.811 8.250 -0.392 0.000 0.511 133 P HA 0.122 4.425 4.420 -0.196 0.000 0.271 133 P C -0.488 176.764 177.300 -0.081 0.000 1.233 133 P CA -0.401 62.611 63.100 -0.147 0.000 0.764 133 P CB 0.825 32.459 31.700 -0.110 0.000 0.825 134 Q N 1.111 120.872 119.800 -0.064 0.000 2.444 134 Q HA -0.063 4.259 4.340 -0.031 0.000 0.206 134 Q C 0.674 176.662 176.000 -0.020 0.000 0.948 134 Q CA 0.737 56.520 55.803 -0.033 0.000 0.946 134 Q CB 0.716 29.439 28.738 -0.024 0.000 1.027 134 Q HN 0.439 8.663 8.270 -0.077 0.000 0.513 135 G N -3.387 105.401 108.800 -0.021 0.000 4.212 135 G HA2 -0.020 3.934 3.960 -0.010 0.000 0.199 135 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.199 135 G C -1.404 173.493 174.900 -0.005 0.000 0.986 135 G CA 0.314 45.409 45.100 -0.008 0.000 0.985 135 G HN -0.645 7.556 8.290 -0.031 0.070 0.378 136 L N 1.013 122.236 121.223 0.000 0.000 2.440 136 L HA 0.552 4.898 4.340 0.009 0.000 0.262 136 L C -1.147 175.720 176.870 -0.005 0.000 1.072 136 L CA -0.944 53.901 54.840 0.009 0.000 0.798 136 L CB 1.758 43.836 42.059 0.031 0.000 1.307 136 L HN -0.635 7.596 8.230 0.000 0.000 0.475 137 A N -0.860 121.963 122.820 0.005 0.000 2.301 137 A HA 0.253 4.558 4.320 -0.026 0.000 0.312 137 A C -1.941 175.644 177.584 0.003 0.000 1.182 137 A CA -0.817 51.217 52.037 -0.006 0.000 0.826 137 A CB 1.834 20.836 19.000 0.004 0.000 1.134 137 A HN 0.747 8.812 8.150 0.017 0.095 0.501 138 V N 1.782 121.682 119.914 -0.023 0.000 2.612 138 V HA 0.093 4.236 4.120 0.038 0.000 0.301 138 V C -1.342 174.731 176.094 -0.035 0.000 1.046 138 V CA -1.327 60.970 62.300 -0.005 0.000 0.946 138 V CB 2.386 34.186 31.823 -0.038 0.000 1.003 138 V HN -0.170 7.991 8.190 -0.048 0.000 0.459 139 V N 5.567 125.429 119.914 -0.086 0.000 2.525 139 V HA 0.171 4.199 4.120 -0.153 0.000 0.299 139 V C -1.845 173.915 176.094 -0.557 0.000 1.034 139 V CA -1.835 60.320 62.300 -0.242 0.000 0.863 139 V CB 2.445 34.156 31.823 -0.186 0.000 0.999 139 V HN -0.093 8.065 8.190 -0.055 0.000 0.423 140 L N 6.726 127.692 121.223 -0.429 0.000 2.325 140 L HA 0.294 4.365 4.340 -0.449 0.000 0.279 140 L C -1.025 175.582 176.870 -0.438 0.000 1.054 140 L CA -0.446 54.148 54.840 -0.412 0.000 0.804 140 L CB 1.929 43.918 42.059 -0.115 0.000 1.200 140 L HN -0.081 7.902 8.230 -0.243 0.100 0.436 141 F N 1.392 121.400 119.950 0.098 0.000 2.467 141 F HA 0.518 5.095 4.527 0.083 0.000 0.336 141 F C 0.245 176.081 175.800 0.060 0.000 1.123 141 F CA -2.055 56.000 58.000 0.092 0.000 0.964 141 F CB 1.333 40.416 39.000 0.138 0.000 1.136 141 F HN 0.852 9.049 8.300 -0.172 0.000 0.447 142 K N 3.829 124.365 120.400 0.227 0.000 1.964 142 K HA -0.329 4.048 4.320 0.095 0.000 0.218 142 K C 0.974 177.635 176.600 0.102 0.000 1.043 142 K CA 3.112 59.473 56.287 0.122 0.000 0.966 142 K CB 0.330 32.882 32.500 0.087 0.000 0.739 142 K HN 0.045 8.444 8.250 0.249 0.000 0.443 143 N N -2.311 116.434 118.700 0.075 0.000 2.204 143 N HA -0.258 4.494 4.740 0.020 0.000 0.232 143 N C -0.290 175.237 175.510 0.029 0.000 1.340 143 N CA 0.908 53.974 53.050 0.027 0.000 0.883 143 N CB 0.803 39.280 38.487 -0.016 0.000 1.109 143 N HN -0.482 7.944 8.380 0.076 0.000 0.470 144 D N -0.734 119.652 120.400 -0.023 0.000 1.944 144 D HA -0.178 4.477 4.640 0.025 0.000 0.262 144 D C 0.231 176.456 176.300 -0.125 0.000 1.127 144 D CA 1.704 55.682 54.000 -0.035 0.000 0.957 144 D CB 0.043 40.804 40.800 -0.065 0.000 1.227 144 D HN 0.106 8.453 8.370 -0.038 0.000 0.483 145 N N -0.030 118.526 118.700 -0.240 0.000 3.098 145 N HA -0.426 4.138 4.740 -0.293 0.000 0.299 145 N C -1.109 173.537 175.510 -1.440 0.000 1.141 145 N CA 0.722 53.331 53.050 -0.735 0.000 0.882 145 N CB -2.130 35.855 38.487 -0.836 0.000 0.944 145 N HN 0.231 8.517 8.380 -0.158 0.000 0.626 146 F N -9.699 110.188 119.950 -0.105 0.000 2.642 146 F HA -0.369 3.794 4.527 -0.607 0.000 0.200 146 F C -1.145 174.353 175.800 -0.504 0.000 1.041 146 F CA -0.189 57.432 58.000 -0.631 0.000 0.851 146 F CB -2.975 35.432 39.000 -0.989 0.000 0.727 146 F HN -0.106 8.342 8.300 0.246 -0.000 0.848 147 S N -0.278 115.252 115.700 -0.284 0.000 2.697 147 S HA 0.197 4.547 4.470 -0.200 0.000 0.289 147 S C -0.866 173.704 174.600 -0.050 0.000 1.149 147 S CA -1.518 56.565 58.200 -0.195 0.000 0.850 147 S CB 2.604 65.667 63.200 -0.228 0.000 1.151 147 S HN -0.367 7.859 8.310 -0.139 0.000 0.491 148 G N 1.178 109.958 108.800 -0.033 0.000 2.645 148 G HA2 -0.382 3.579 3.960 0.003 0.000 0.239 148 G HA3 -0.382 3.589 3.960 0.019 0.000 0.239 148 G C -1.002 173.931 174.900 0.056 0.000 1.331 148 G CA 0.026 45.133 45.100 0.013 0.000 0.890 148 G HN 0.117 8.373 8.290 -0.057 0.000 0.572 149 D N 0.034 120.474 120.400 0.066 0.000 2.346 149 D HA 0.057 4.744 4.640 0.078 0.000 0.236 149 D C -0.240 176.152 176.300 0.154 0.000 1.259 149 D CA 1.300 55.353 54.000 0.088 0.000 0.898 149 D CB 0.640 41.479 40.800 0.066 0.000 1.178 149 D HN -0.023 8.377 8.370 0.051 0.000 0.457 150 T N -3.868 110.782 114.554 0.160 0.000 2.868 150 T HA 0.383 4.987 4.350 0.248 -0.106 0.306 150 T C -1.597 173.173 174.700 0.117 0.000 1.224 150 T CA -1.368 60.865 62.100 0.223 0.000 1.012 150 T CB 3.076 72.173 68.868 0.382 0.000 1.221 150 T HN 0.054 8.366 8.240 0.119 0.000 0.499 151 L N 1.680 122.940 121.223 0.062 0.000 2.495 151 L HA 0.578 4.939 4.340 0.036 0.000 0.248 151 L C -2.206 174.659 176.870 -0.009 0.000 1.229 151 L CA -3.055 51.799 54.840 0.022 0.000 0.942 151 L CB 1.634 43.699 42.059 0.010 0.000 1.242 151 L HN 0.711 8.849 8.230 0.033 0.111 0.484 152 P HA 0.013 4.423 4.420 -0.018 0.000 0.263 152 P C -1.235 176.061 177.300 -0.007 0.000 1.247 152 P CA -0.574 62.531 63.100 0.008 0.000 0.876 152 P CB -0.605 31.122 31.700 0.046 0.000 0.928 153 V N 6.530 126.428 119.914 -0.026 0.000 2.223 153 V HA -0.049 4.056 4.120 -0.026 0.000 0.249 153 V C -0.864 175.211 176.094 -0.031 0.000 1.233 153 V CA -0.983 61.298 62.300 -0.032 0.000 1.131 153 V CB -1.958 29.834 31.823 -0.052 0.000 1.298 153 V HN 0.525 8.606 8.190 -0.042 0.084 0.498 154 N N 3.639 122.328 118.700 -0.018 0.000 2.421 154 N HA -0.027 4.706 4.740 -0.013 0.000 0.201 154 N C -0.588 174.907 175.510 -0.024 0.000 1.198 154 N CA 0.101 53.142 53.050 -0.014 0.000 0.838 154 N CB 0.373 38.859 38.487 -0.003 0.000 1.011 154 N HN -0.183 8.163 8.380 -0.012 0.027 0.463 155 S N -0.405 115.273 115.700 -0.036 0.000 2.669 155 S HA 0.034 4.479 4.470 -0.041 0.000 0.266 155 S C -2.022 172.543 174.600 -0.058 0.000 1.149 155 S CA -0.624 57.551 58.200 -0.042 0.000 0.842 155 S CB 1.413 64.593 63.200 -0.034 0.000 1.160 155 S HN -0.813 7.359 8.310 -0.041 0.113 0.487 156 D N 0.725 121.088 120.400 -0.062 0.000 2.423 156 D HA -0.094 4.496 4.640 -0.085 0.000 0.238 156 D C -0.879 175.377 176.300 -0.074 0.000 1.142 156 D CA 1.315 55.270 54.000 -0.076 0.000 0.884 156 D CB -0.112 40.639 40.800 -0.081 0.000 1.199 156 D HN 0.075 8.412 8.370 -0.055 0.000 0.438 157 A N 2.256 125.027 122.820 -0.082 0.000 3.464 157 A HA 0.397 4.679 4.320 -0.063 0.000 0.243 157 A C -2.468 175.075 177.584 -0.068 0.000 1.100 157 A CA -0.925 51.072 52.037 -0.066 0.000 0.957 157 A CB 0.313 19.283 19.000 -0.051 0.000 1.340 157 A HN 0.058 8.154 8.150 -0.090 0.000 0.645 158 P HA 0.036 4.366 4.420 -0.149 0.000 0.269 158 P C -1.836 175.434 177.300 -0.050 0.000 1.376 158 P CA 0.622 63.638 63.100 -0.140 0.000 0.775 158 P CB -1.543 29.986 31.700 -0.285 0.000 1.345 159 T N -3.559 110.979 114.554 -0.026 0.000 4.009 159 T HA 0.158 4.518 4.350 0.017 0.000 0.323 159 T C -1.484 173.216 174.700 0.001 0.000 0.760 159 T CA -0.432 61.669 62.100 0.001 0.000 0.987 159 T CB 0.398 69.267 68.868 0.002 0.000 1.070 159 T HN -0.433 7.628 8.240 -0.034 0.159 0.471 160 L N 6.876 128.105 121.223 0.011 0.000 2.638 160 L HA 0.119 4.462 4.340 0.005 0.000 0.195 160 L C 0.495 177.372 176.870 0.012 0.000 1.065 160 L CA -0.398 54.448 54.840 0.011 0.000 0.859 160 L CB 1.206 43.275 42.059 0.018 0.000 1.269 160 L HN -0.233 8.078 8.230 0.021 -0.069 0.484 161 G N -0.013 108.796 108.800 0.016 0.000 2.698 161 G HA2 -0.489 3.475 3.960 0.007 0.000 0.346 161 G HA3 -0.489 3.797 3.960 0.007 -0.322 0.346 161 G C -0.246 174.657 174.900 0.005 0.000 1.287 161 G CA 0.575 45.680 45.100 0.008 0.000 0.990 161 G HN -0.269 8.035 8.290 0.025 0.000 0.545 162 A N 2.673 125.495 122.820 0.003 0.000 2.489 162 A HA -0.077 4.244 4.320 0.001 0.000 0.289 162 A C -1.122 176.465 177.584 0.005 0.000 1.216 162 A CA 0.719 52.758 52.037 0.002 0.000 0.883 162 A CB -0.573 18.428 19.000 0.002 0.000 1.110 162 A HN 0.127 8.419 8.150 0.002 -0.141 0.523 163 M N 4.385 123.989 119.600 0.006 0.000 2.023 163 M HA 0.122 4.607 4.480 0.008 0.000 0.182 163 M C -0.681 175.626 176.300 0.011 0.000 1.753 163 M CA 0.637 55.943 55.300 0.009 0.000 0.945 163 M CB 1.017 33.623 32.600 0.010 0.000 1.521 163 M HN -0.132 8.161 8.290 0.006 0.000 0.599 164 N N 0.315 119.023 118.700 0.013 0.000 1.903 164 N HA -0.113 4.638 4.740 0.019 0.000 0.238 164 N C 0.299 175.817 175.510 0.013 0.000 1.090 164 N CA 0.601 53.661 53.050 0.017 0.000 1.095 164 N CB 0.594 39.094 38.487 0.023 0.000 1.462 164 N HN 0.319 8.706 8.380 0.012 0.000 0.536 165 N N -2.545 116.163 118.700 0.013 0.000 2.128 165 N HA 0.001 4.744 4.740 0.006 0.000 0.276 165 N C -2.388 173.124 175.510 0.004 0.000 1.008 165 N CA 0.005 53.061 53.050 0.009 0.000 0.762 165 N CB 1.949 40.443 38.487 0.012 0.000 1.811 165 N HN 0.189 8.579 8.380 0.016 0.000 0.722 166 N N -0.763 117.942 118.700 0.008 0.000 3.507 166 N HA 0.017 4.752 4.740 -0.009 0.000 0.212 166 N C -2.106 173.410 175.510 0.009 0.000 1.340 166 N CA -0.023 53.028 53.050 0.001 0.000 0.844 166 N CB 0.255 38.742 38.487 -0.000 0.000 1.647 166 N HN -0.585 7.804 8.380 0.016 0.000 0.694 167 T N 4.851 119.406 114.554 0.002 0.000 2.778 167 T HA -0.178 4.190 4.350 0.030 0.000 0.282 167 T C 0.103 174.813 174.700 0.016 0.000 0.983 167 T CA 1.414 63.520 62.100 0.009 0.000 1.193 167 T CB -0.075 68.783 68.868 -0.018 0.000 0.938 167 T HN 0.275 8.511 8.240 -0.007 0.000 0.523 168 S N 6.765 122.499 115.700 0.056 0.000 2.433 168 S HA 0.196 4.690 4.470 0.040 0.000 0.216 168 S C 0.084 174.749 174.600 0.109 0.000 1.031 168 S CA 1.850 60.091 58.200 0.068 0.000 0.931 168 S CB 1.603 64.847 63.200 0.074 0.000 0.875 168 S HN -0.149 8.209 8.310 0.081 0.000 0.553 169 S N -1.026 114.793 115.700 0.198 0.000 2.664 169 S HA 0.810 5.648 4.470 0.249 -0.219 0.304 169 S C -1.498 173.281 174.600 0.298 0.000 1.099 169 S CA -1.509 56.880 58.200 0.314 0.000 1.003 169 S CB 3.154 66.634 63.200 0.466 0.000 1.092 169 S HN -0.627 7.818 8.310 0.224 0.000 0.525 170 I N -7.842 112.907 120.570 0.299 0.000 3.279 170 I HA 0.997 5.036 4.170 -0.434 -0.130 0.315 170 I C -2.352 173.906 176.117 0.235 0.000 1.187 170 I CA -2.069 59.238 61.300 0.012 0.000 0.953 170 I CB 5.094 43.063 38.000 -0.052 0.000 1.279 170 I HN -0.008 8.438 8.210 0.394 0.000 0.465 171 R N 0.800 121.337 120.500 0.062 0.000 2.585 171 R HA 0.424 5.140 4.340 0.353 -0.165 0.288 171 R C -1.839 174.551 176.300 0.151 0.000 1.194 171 R CA -0.216 56.024 56.100 0.235 0.000 1.006 171 R CB 3.509 34.031 30.300 0.370 0.000 1.229 171 R HN 0.268 8.442 8.270 -0.159 0.000 0.412 172 I N 9.153 129.855 120.570 0.220 0.000 2.294 172 I HA 0.212 4.580 4.170 0.113 -0.130 0.295 172 I C -1.085 175.103 176.117 0.117 0.000 1.098 172 I CA 0.400 61.795 61.300 0.158 0.000 1.277 172 I CB -0.044 38.076 38.000 0.201 0.000 1.434 172 I HN 0.771 9.187 8.210 0.344 0.000 0.498 173 S N 0.000 115.749 115.700 0.082 0.000 2.498 173 S HA 0.000 4.508 4.470 0.063 0.000 0.327 173 S CA 0.000 58.237 58.200 0.062 0.000 1.107 173 S CB 0.000 63.235 63.200 0.058 0.000 0.593 173 S HN 0.000 8.352 8.310 0.070 0.000 0.517