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 2dhs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNGTLDHPDQ PDLDAIKMFV GQVPRTWSEK DLRELFEQYG AVYEINVLRD DATA SEQUENCE RSQNPPQSKG CCFVTFYTRK AALEAQNALH NMKVLPGMHH PIQMKPADSE DATA SEQUENCE KNNAVEDRKL FIGMISKKCT ENDIRVMFSS FGQIEECRIL RGPDGLSRGC DATA SEQUENCE AFVTFTTRAM AQTAIKAMHQ AQTMEGCSSP MVVKFAD 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 4.483 4.480 0.005 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.606 32.600 0.009 0.000 1.302 2 N N 0.707 119.413 118.700 0.011 0.000 2.410 2 N HA 0.250 4.999 4.740 0.014 0.000 0.287 2 N C -1.604 173.917 175.510 0.018 0.000 1.044 2 N CA 0.997 54.055 53.050 0.013 0.000 0.881 2 N CB 0.843 39.336 38.487 0.009 0.000 1.405 2 N HN 0.265 8.651 8.380 0.010 0.000 0.490 3 G N 2.084 110.899 108.800 0.025 0.000 2.760 3 G HA2 0.039 4.014 3.960 0.025 0.000 0.296 3 G HA3 0.039 4.019 3.960 0.033 0.000 0.296 3 G C -0.888 174.036 174.900 0.039 0.000 1.427 3 G CA 0.417 45.535 45.100 0.030 0.000 1.109 3 G HN 0.214 8.520 8.290 0.027 0.000 0.553 4 T N 2.902 117.477 114.554 0.035 0.000 3.465 4 T HA 0.319 4.698 4.350 0.048 0.000 0.323 4 T C -0.085 174.635 174.700 0.034 0.000 1.774 4 T CA -0.534 61.588 62.100 0.037 0.000 1.348 4 T CB -1.605 67.278 68.868 0.026 0.000 1.147 4 T HN 0.136 8.392 8.240 0.028 0.000 0.778 5 L N 2.305 123.566 121.223 0.064 0.000 2.456 5 L HA -0.138 4.237 4.340 0.058 0.000 0.224 5 L C 0.788 177.672 176.870 0.022 0.000 1.148 5 L CA 0.900 55.794 54.840 0.091 0.000 0.825 5 L CB 0.047 42.220 42.059 0.190 0.000 0.937 5 L HN 0.041 8.264 8.230 0.075 0.052 0.450 6 D N -2.351 118.063 120.400 0.023 0.000 2.304 6 D HA -0.316 4.333 4.640 0.016 0.000 0.162 6 D C -0.760 175.572 176.300 0.054 0.000 1.458 6 D CA 1.886 55.872 54.000 -0.024 0.000 1.334 6 D CB -0.474 40.238 40.800 -0.148 0.000 1.250 6 D HN 0.212 8.535 8.370 0.052 0.079 0.458 7 H N -5.582 113.505 119.070 0.028 0.000 2.597 7 H HA 0.409 5.067 4.556 0.024 -0.089 0.225 7 H C -1.528 173.818 175.328 0.030 0.000 1.422 7 H CA -2.340 53.723 56.048 0.025 0.000 1.335 7 H CB 0.417 30.189 29.762 0.016 0.000 1.783 7 H HN -0.076 8.237 8.280 0.298 0.146 0.513 8 P HA -0.033 4.434 4.420 0.080 0.000 0.225 8 P C -0.707 176.625 177.300 0.052 0.000 1.156 8 P CA 1.296 64.453 63.100 0.095 0.000 0.787 8 P CB 0.742 32.501 31.700 0.099 0.000 0.802 9 D N -3.302 117.137 120.400 0.065 0.000 2.017 9 D HA -0.011 4.648 4.640 0.031 0.000 0.336 9 D C -1.383 174.951 176.300 0.057 0.000 1.104 9 D CA 0.885 54.919 54.000 0.057 0.000 0.965 9 D CB 0.354 41.205 40.800 0.085 0.000 1.864 9 D HN 0.044 8.427 8.370 0.091 0.041 0.538 10 Q N -1.195 118.645 119.800 0.068 0.000 2.398 10 Q HA 0.300 4.662 4.340 0.036 0.000 0.251 10 Q C -1.841 174.199 176.000 0.066 0.000 0.999 10 Q CA -2.962 52.870 55.803 0.047 0.000 0.874 10 Q CB -0.668 28.080 28.738 0.017 0.000 1.215 10 Q HN -0.206 8.110 8.270 0.078 0.000 0.470 11 P HA 0.243 4.772 4.420 0.182 0.000 0.244 11 P C -1.887 175.453 177.300 0.066 0.000 1.632 11 P CA -0.726 62.425 63.100 0.084 0.000 0.944 11 P CB 0.083 31.796 31.700 0.021 0.000 1.569 12 D N -2.771 117.653 120.400 0.039 0.000 2.878 12 D HA -0.048 4.607 4.640 0.025 0.000 0.211 12 D C -0.649 175.651 176.300 -0.001 0.000 1.271 12 D CA -0.690 53.319 54.000 0.016 0.000 0.845 12 D CB 1.531 42.331 40.800 -0.001 0.000 1.679 12 D HN -0.477 7.801 8.370 0.035 0.113 0.536 13 L N -3.385 117.838 121.223 0.001 0.000 2.715 13 L HA 0.298 4.634 4.340 -0.007 0.000 0.238 13 L C -0.538 176.327 176.870 -0.008 0.000 1.212 13 L CA -0.086 54.752 54.840 -0.003 0.000 1.017 13 L CB -0.880 41.181 42.059 0.004 0.000 1.269 13 L HN 0.030 8.263 8.230 0.006 0.000 0.452 14 D N 0.612 121.001 120.400 -0.018 0.000 2.352 14 D HA -0.140 4.490 4.640 -0.015 0.000 0.232 14 D C 0.506 176.787 176.300 -0.031 0.000 1.055 14 D CA 0.719 54.705 54.000 -0.023 0.000 0.891 14 D CB 0.530 41.312 40.800 -0.029 0.000 0.897 14 D HN -0.359 8.009 8.370 -0.021 -0.011 0.529 15 A N -0.099 122.703 122.820 -0.030 0.000 1.994 15 A HA -0.219 4.065 4.320 -0.060 0.000 0.202 15 A C -0.848 176.744 177.584 0.013 0.000 1.286 15 A CA 1.758 53.781 52.037 -0.023 0.000 0.653 15 A CB 0.746 19.738 19.000 -0.014 0.000 0.926 15 A HN 0.084 8.107 8.150 -0.027 0.112 0.494 16 I N -3.974 116.634 120.570 0.062 0.000 2.661 16 I HA 0.029 4.217 4.170 0.031 0.000 0.290 16 I C -2.713 173.487 176.117 0.139 0.000 1.734 16 I CA -0.545 60.795 61.300 0.067 0.000 1.018 16 I CB 3.872 41.879 38.000 0.010 0.000 1.532 16 I HN 0.065 8.323 8.210 0.080 0.000 0.488 17 K N 5.995 126.460 120.400 0.109 0.000 2.324 17 K HA 0.540 5.120 4.320 0.207 -0.135 0.253 17 K C -1.178 175.514 176.600 0.152 0.000 0.932 17 K CA -1.323 55.056 56.287 0.153 0.000 0.799 17 K CB 2.841 35.411 32.500 0.116 0.000 1.154 17 K HN 0.065 8.353 8.250 0.063 0.000 0.425 18 M N 1.207 120.931 119.600 0.208 0.000 2.464 18 M HA 0.248 4.922 4.480 0.170 -0.092 0.308 18 M C -2.017 174.440 176.300 0.262 0.000 1.127 18 M CA -0.521 54.903 55.300 0.207 0.000 0.913 18 M CB 4.442 37.176 32.600 0.222 0.000 1.689 18 M HN 0.505 8.938 8.290 0.237 0.000 0.445 19 F N 3.336 123.357 119.950 0.118 0.000 2.518 19 F HA 0.485 5.123 4.527 0.185 0.000 0.323 19 F C -2.785 173.094 175.800 0.131 0.000 1.129 19 F CA -1.548 56.529 58.000 0.129 0.000 0.920 19 F CB 3.970 43.011 39.000 0.069 0.000 1.160 19 F HN 1.040 9.423 8.300 0.315 0.106 0.440 20 V N 5.490 125.535 119.914 0.219 0.000 2.680 20 V HA 1.030 5.558 4.120 0.302 -0.227 0.309 20 V C -1.384 174.853 176.094 0.239 0.000 1.052 20 V CA -2.472 59.986 62.300 0.263 0.000 0.908 20 V CB 3.912 35.892 31.823 0.261 0.000 1.001 20 V HN 0.401 8.493 8.190 -0.164 0.000 0.431 21 G N 1.767 110.707 108.800 0.233 0.000 2.643 21 G HA2 0.472 4.645 3.960 0.183 0.000 0.305 21 G HA3 0.472 4.563 3.960 0.217 0.000 0.305 21 G C -2.307 172.656 174.900 0.106 0.000 1.387 21 G CA -0.952 44.262 45.100 0.190 0.000 0.982 21 G HN 0.487 8.786 8.290 0.207 0.115 0.501 22 Q N 1.985 121.829 119.800 0.073 0.000 2.441 22 Q HA -0.421 3.931 4.340 0.020 0.000 0.300 22 Q C -2.297 173.715 176.000 0.019 0.000 1.419 22 Q CA 0.314 56.136 55.803 0.031 0.000 0.751 22 Q CB -0.402 28.345 28.738 0.015 0.000 1.107 22 Q HN 0.235 8.473 8.270 0.081 0.080 0.385 23 V N 1.379 121.310 119.914 0.027 0.000 2.481 23 V HA 0.458 4.579 4.120 0.003 0.000 0.286 23 V C -1.505 174.581 176.094 -0.013 0.000 1.042 23 V CA -3.019 59.289 62.300 0.014 0.000 0.928 23 V CB 1.485 33.339 31.823 0.052 0.000 0.986 23 V HN -0.641 7.456 8.190 0.037 0.116 0.462 24 P HA -0.251 4.139 4.420 -0.051 0.000 0.222 24 P C -0.218 177.063 177.300 -0.032 0.000 1.159 24 P CA 1.951 65.017 63.100 -0.057 0.000 0.920 24 P CB 0.134 31.760 31.700 -0.123 0.000 0.793 25 R N -8.857 111.632 120.500 -0.018 0.000 3.946 25 R HA -0.277 4.093 4.340 0.050 0.000 0.329 25 R C -0.176 176.159 176.300 0.059 0.000 1.209 25 R CA 0.465 56.583 56.100 0.030 0.000 0.909 25 R CB -2.746 27.571 30.300 0.029 0.000 1.355 25 R HN 0.181 8.425 8.270 -0.034 0.006 0.539 26 T N -2.904 111.669 114.554 0.032 0.000 3.085 26 T HA -0.128 4.292 4.350 0.117 0.000 0.263 26 T C -0.179 174.733 174.700 0.354 0.000 1.127 26 T CA 1.272 63.442 62.100 0.116 0.000 1.103 26 T CB 0.280 69.179 68.868 0.051 0.000 0.921 26 T HN -0.167 7.979 8.240 -0.053 0.063 0.510 27 W N -1.061 120.254 121.300 0.024 0.000 3.139 27 W HA 0.306 4.974 4.660 0.013 0.000 0.399 27 W C -1.038 175.488 176.519 0.012 0.000 1.484 27 W CA -2.226 55.128 57.345 0.016 0.000 1.287 27 W CB 1.022 30.490 29.460 0.014 0.000 1.948 27 W HN -0.554 7.695 8.180 0.216 0.060 0.668 28 S N -0.656 115.194 115.700 0.249 0.000 2.713 28 S HA 0.121 4.652 4.470 0.101 0.000 0.277 28 S C 0.723 175.397 174.600 0.123 0.000 1.168 28 S CA -0.774 57.499 58.200 0.121 0.000 0.994 28 S CB 2.117 65.342 63.200 0.042 0.000 1.054 28 S HN -0.245 8.213 8.310 0.247 0.000 0.555 29 E N 2.023 122.260 120.200 0.062 0.000 2.046 29 E HA -0.309 4.075 4.350 0.058 0.000 0.190 29 E C 1.896 178.523 176.600 0.046 0.000 0.982 29 E CA 3.376 59.801 56.400 0.041 0.000 0.800 29 E CB -0.045 29.648 29.700 -0.010 0.000 0.756 29 E HN 0.506 8.889 8.360 0.038 0.000 0.449 30 K N -1.426 118.988 120.400 0.024 0.000 2.032 30 K HA -0.279 4.039 4.320 -0.003 0.000 0.209 30 K C 1.821 178.455 176.600 0.057 0.000 1.048 30 K CA 3.429 59.724 56.287 0.014 0.000 0.927 30 K CB -0.385 32.107 32.500 -0.013 0.000 0.712 30 K HN 0.013 8.270 8.250 0.012 0.000 0.441 31 D N -2.662 117.788 120.400 0.084 0.000 2.144 31 D HA -0.273 4.617 4.640 0.089 -0.197 0.199 31 D C 2.307 178.766 176.300 0.266 0.000 0.984 31 D CA 3.683 57.775 54.000 0.153 0.000 0.834 31 D CB -0.460 40.427 40.800 0.145 0.000 0.955 31 D HN 0.040 8.449 8.370 0.064 0.000 0.465 32 L N -0.536 120.837 121.223 0.251 0.000 2.083 32 L HA -0.377 4.106 4.340 0.238 0.000 0.209 32 L C 1.152 178.211 176.870 0.315 0.000 1.083 32 L CA 2.933 57.928 54.840 0.259 0.000 0.752 32 L CB -0.128 42.073 42.059 0.237 0.000 0.899 32 L HN -0.634 7.607 8.230 0.207 0.113 0.433 33 R N -2.765 117.873 120.500 0.230 0.000 2.105 33 R HA -0.452 4.071 4.340 0.305 0.000 0.239 33 R C 2.226 178.655 176.300 0.214 0.000 1.135 33 R CA 3.564 59.793 56.100 0.214 0.000 0.967 33 R CB -0.586 29.746 30.300 0.052 0.000 0.861 33 R HN -0.286 7.957 8.270 0.156 0.121 0.442 34 E N -1.373 118.915 120.200 0.148 0.000 2.085 34 E HA -0.313 4.295 4.350 0.075 -0.213 0.194 34 E C 2.305 178.946 176.600 0.068 0.000 0.994 34 E CA 2.561 59.021 56.400 0.100 0.000 0.801 34 E CB -0.459 29.302 29.700 0.101 0.000 0.743 34 E HN -0.606 7.731 8.360 0.147 0.111 0.453 35 L N -2.572 118.680 121.223 0.049 0.000 2.042 35 L HA -0.307 3.948 4.340 -0.141 0.000 0.210 35 L C 2.530 179.280 176.870 -0.200 0.000 1.076 35 L CA 2.480 57.238 54.840 -0.137 0.000 0.749 35 L CB -0.275 41.629 42.059 -0.259 0.000 0.893 35 L HN -0.631 7.563 8.230 0.114 0.105 0.432 36 F N -2.277 117.741 119.950 0.113 0.000 2.456 36 F HA -0.153 4.719 4.527 0.576 0.000 0.298 36 F C 2.420 178.361 175.800 0.235 0.000 1.104 36 F CA 2.783 60.963 58.000 0.300 0.000 1.435 36 F CB -0.563 38.584 39.000 0.245 0.000 1.078 36 F HN -0.778 7.601 8.300 0.297 0.099 0.546 37 E N -0.385 119.948 120.200 0.222 0.000 2.204 37 E HA -0.252 4.339 4.350 0.169 -0.139 0.195 37 E C 2.275 178.934 176.600 0.098 0.000 0.990 37 E CA 2.372 58.858 56.400 0.143 0.000 0.821 37 E CB -0.584 29.159 29.700 0.071 0.000 0.750 37 E HN -0.156 8.167 8.360 0.189 0.150 0.477 38 Q N -1.640 118.118 119.800 -0.070 0.000 2.500 38 Q HA -0.228 4.062 4.340 -0.082 0.000 0.213 38 Q C 1.195 177.081 176.000 -0.189 0.000 0.974 38 Q CA 2.071 57.755 55.803 -0.199 0.000 0.918 38 Q CB -0.141 28.367 28.738 -0.383 0.000 0.980 38 Q HN -0.455 7.709 8.270 -0.116 0.036 0.505 39 Y N -3.710 116.720 120.300 0.218 0.000 2.481 39 Y HA -0.026 4.594 4.550 0.117 0.000 0.258 39 Y C -0.428 175.624 175.900 0.253 0.000 1.103 39 Y CA 0.290 58.513 58.100 0.205 0.000 1.287 39 Y CB 1.331 39.926 38.460 0.226 0.000 1.108 39 Y HN -0.329 7.865 8.280 0.183 0.196 0.529 40 G N -4.616 104.504 108.800 0.533 0.000 2.368 40 G HA2 -0.095 4.051 3.960 0.311 0.000 0.269 40 G HA3 -0.095 4.188 3.960 0.539 0.000 0.269 40 G C -2.715 172.473 174.900 0.480 0.000 1.291 40 G CA -0.013 45.386 45.100 0.498 0.000 0.903 40 G HN -0.759 7.697 8.290 0.480 0.123 0.483 41 A N 1.153 124.248 122.820 0.457 0.000 2.506 41 A HA 0.442 4.854 4.320 0.154 0.000 0.320 41 A C -0.688 176.932 177.584 0.061 0.000 1.424 41 A CA -0.878 51.309 52.037 0.251 0.000 1.044 41 A CB -0.223 18.937 19.000 0.266 0.000 1.140 41 A HN -0.083 8.371 8.150 0.507 0.000 0.538 42 V N 2.974 122.716 119.914 -0.286 0.000 3.503 42 V HA -0.178 3.094 4.120 -1.413 0.000 0.300 42 V C -1.100 174.899 176.094 -0.158 0.000 1.099 42 V CA 0.701 62.620 62.300 -0.635 0.000 1.117 42 V CB 0.788 32.308 31.823 -0.506 0.000 1.122 42 V HN -0.308 7.795 8.190 -0.145 0.000 0.476 43 Y N 1.392 121.528 120.300 -0.274 0.000 3.147 43 Y HA 0.251 4.738 4.550 -0.104 0.000 0.219 43 Y C -1.207 174.622 175.900 -0.119 0.000 1.021 43 Y CA 0.381 58.409 58.100 -0.119 0.000 1.440 43 Y CB 3.032 41.487 38.460 -0.008 0.000 1.472 43 Y HN -0.106 8.044 8.280 -0.216 0.000 0.408 44 E N 0.223 120.429 120.200 0.011 0.000 2.246 44 E HA 0.342 4.573 4.350 -0.199 0.000 0.266 44 E C -2.232 174.256 176.600 -0.187 0.000 0.880 44 E CA -1.168 55.180 56.400 -0.087 0.000 0.762 44 E CB 2.504 32.258 29.700 0.090 0.000 1.180 44 E HN -0.624 7.804 8.360 0.113 0.000 0.416 45 I N 5.149 125.550 120.570 -0.282 0.000 2.533 45 I HA 0.451 4.487 4.170 -0.535 -0.187 0.290 45 I C -1.094 174.740 176.117 -0.473 0.000 1.056 45 I CA -1.193 59.850 61.300 -0.429 0.000 1.057 45 I CB 2.906 40.680 38.000 -0.377 0.000 1.240 45 I HN 0.274 8.338 8.210 -0.243 0.000 0.423 46 N N 7.068 125.294 118.700 -0.790 0.000 2.295 46 N HA 0.340 4.845 4.740 -0.391 0.000 0.293 46 N C -1.635 173.519 175.510 -0.594 0.000 1.040 46 N CA -0.312 52.329 53.050 -0.681 0.000 0.840 46 N CB 4.119 42.147 38.487 -0.765 0.000 1.468 46 N HN 0.031 7.750 8.380 -1.101 0.000 0.478 47 V N 2.944 122.694 119.914 -0.275 0.000 2.513 47 V HA 0.554 4.714 4.120 -0.174 -0.145 0.299 47 V C -0.825 175.233 176.094 -0.060 0.000 1.035 47 V CA -1.281 60.930 62.300 -0.148 0.000 0.889 47 V CB 1.331 33.109 31.823 -0.074 0.000 0.988 47 V HN -0.299 7.917 8.190 -0.211 -0.153 0.440 48 L N 5.990 127.205 121.223 -0.013 0.000 2.379 48 L HA 0.283 4.640 4.340 0.029 0.000 0.269 48 L C 0.036 176.919 176.870 0.021 0.000 1.084 48 L CA -1.150 53.706 54.840 0.026 0.000 0.802 48 L CB 0.135 42.228 42.059 0.057 0.000 1.175 48 L HN 0.590 8.807 8.230 -0.022 0.000 0.448 49 R N -2.913 117.602 120.500 0.025 0.000 2.303 49 R HA 0.002 4.356 4.340 0.025 0.000 0.058 49 R C -1.216 175.098 176.300 0.022 0.000 0.827 49 R CA -0.409 55.704 56.100 0.022 0.000 2.966 49 R CB 1.082 31.393 30.300 0.018 0.000 1.253 49 R HN 0.242 8.530 8.270 0.029 0.000 0.527 50 D N 1.937 122.350 120.400 0.021 0.000 3.916 50 D HA -0.186 4.466 4.640 0.020 0.000 0.250 50 D C -0.382 175.928 176.300 0.016 0.000 1.058 50 D CA 0.818 54.830 54.000 0.020 0.000 1.130 50 D CB 0.237 41.050 40.800 0.022 0.000 0.913 50 D HN 0.158 8.541 8.370 0.021 0.000 0.418 51 R N -1.193 119.315 120.500 0.013 0.000 4.018 51 R HA -0.374 3.971 4.340 0.009 0.000 0.353 51 R C -1.106 175.201 176.300 0.012 0.000 1.214 51 R CA 1.091 57.198 56.100 0.011 0.000 1.059 51 R CB -2.111 28.195 30.300 0.010 0.000 1.512 51 R HN 0.435 8.712 8.270 0.013 0.000 0.566 52 S N -8.573 107.136 115.700 0.014 0.000 3.491 52 S HA -0.401 4.080 4.470 0.017 0.000 0.371 52 S C -0.285 174.324 174.600 0.014 0.000 0.980 52 S CA 1.257 59.466 58.200 0.015 0.000 1.204 52 S CB -1.291 61.919 63.200 0.016 0.000 0.915 52 S HN -0.096 8.118 8.310 0.015 0.105 0.482 53 Q N -1.056 118.752 119.800 0.013 0.000 2.394 53 Q HA 0.002 4.349 4.340 0.011 0.000 0.166 53 Q C -0.087 175.921 176.000 0.012 0.000 1.037 53 Q CA -0.765 55.045 55.803 0.012 0.000 1.023 53 Q CB 1.036 29.781 28.738 0.011 0.000 2.067 53 Q HN -0.671 7.606 8.270 0.014 0.001 0.502 54 N N -0.483 118.224 118.700 0.011 0.000 2.258 54 N HA 0.032 4.779 4.740 0.012 0.000 0.183 54 N C -0.418 175.098 175.510 0.011 0.000 1.029 54 N CA 2.120 55.176 53.050 0.011 0.000 0.857 54 N CB -2.322 36.170 38.487 0.009 0.000 1.008 54 N HN 0.140 8.526 8.380 0.010 0.000 0.433 55 P HA -0.067 4.359 4.420 0.010 0.000 0.216 55 P C -1.343 175.964 177.300 0.013 0.000 1.150 55 P CA 2.504 65.610 63.100 0.011 0.000 0.843 55 P CB -1.255 30.451 31.700 0.010 0.000 0.787 56 P HA 0.086 4.517 4.420 0.018 0.000 0.204 56 P C -1.266 176.045 177.300 0.018 0.000 1.180 56 P CA -0.266 62.844 63.100 0.017 0.000 0.897 56 P CB 1.478 33.189 31.700 0.018 0.000 0.737 57 Q N -4.183 115.628 119.800 0.018 0.000 3.224 57 Q HA -0.280 4.071 4.340 0.017 0.000 0.027 57 Q C -1.194 174.818 176.000 0.021 0.000 1.704 57 Q CA 0.406 56.220 55.803 0.018 0.000 0.244 57 Q CB -0.353 28.395 28.738 0.016 0.000 0.584 57 Q HN 0.219 8.500 8.270 0.017 0.000 0.322 58 S N 0.436 116.149 115.700 0.021 0.000 2.714 58 S HA -0.205 4.279 4.470 0.023 0.000 0.318 58 S C 1.215 175.829 174.600 0.024 0.000 1.219 58 S CA 1.174 59.387 58.200 0.022 0.000 1.175 58 S CB 0.057 63.271 63.200 0.023 0.000 0.961 58 S HN 0.151 8.473 8.310 0.020 0.000 0.518 59 K N 2.485 122.903 120.400 0.030 0.000 2.555 59 K HA -0.096 4.243 4.320 0.032 0.000 0.193 59 K C 0.720 177.343 176.600 0.039 0.000 1.032 59 K CA -0.029 56.280 56.287 0.037 0.000 1.004 59 K CB -0.598 31.932 32.500 0.050 0.000 0.804 59 K HN -0.161 8.107 8.250 0.031 0.000 0.496 60 G N -0.025 108.794 108.800 0.031 0.000 2.295 60 G HA2 -0.423 3.553 3.960 0.028 0.000 0.287 60 G HA3 -0.423 3.553 3.960 0.028 0.000 0.287 60 G C -1.549 173.377 174.900 0.044 0.000 1.055 60 G CA 0.502 45.622 45.100 0.032 0.000 0.922 60 G HN 0.386 8.584 8.290 0.027 0.108 0.503 61 C N -0.136 119.181 119.300 0.027 0.000 2.408 61 C HA 0.845 5.521 4.460 0.016 -0.206 0.321 61 C C -1.715 173.233 174.990 -0.070 0.000 1.245 61 C CA -1.839 57.172 59.018 -0.011 0.000 1.523 61 C CB 1.387 29.125 27.740 -0.002 0.000 2.178 61 C HN -0.452 7.791 8.230 0.022 0.000 0.488 62 C N 5.825 125.053 119.300 -0.120 0.000 2.782 62 C HA 1.004 5.498 4.460 -0.220 -0.166 0.328 62 C C -1.806 173.050 174.990 -0.223 0.000 1.145 62 C CA -3.095 55.820 59.018 -0.172 0.000 1.358 62 C CB 3.392 31.091 27.740 -0.069 0.000 1.841 62 C HN 0.138 8.298 8.230 -0.116 0.000 0.477 63 F N 0.235 119.983 119.950 -0.336 0.000 2.507 63 F HA 0.928 5.460 4.527 -0.265 -0.164 0.325 63 F C -2.293 173.349 175.800 -0.263 0.000 1.116 63 F CA -2.632 55.192 58.000 -0.294 0.000 0.930 63 F CB 2.766 41.606 39.000 -0.267 0.000 1.146 63 F HN 0.348 8.208 8.300 -0.735 0.000 0.447 64 V N 2.984 122.819 119.914 -0.131 0.000 2.823 64 V HA 0.989 5.159 4.120 -0.277 -0.216 0.312 64 V C -1.633 174.542 176.094 0.134 0.000 1.072 64 V CA -3.135 59.055 62.300 -0.184 0.000 0.937 64 V CB 4.215 35.752 31.823 -0.476 0.000 1.013 64 V HN -0.032 8.157 8.190 -0.001 0.000 0.430 65 T N 9.698 124.324 114.554 0.119 0.000 2.824 65 T HA 0.700 5.471 4.350 0.354 -0.209 0.282 65 T C -0.826 174.020 174.700 0.243 0.000 0.993 65 T CA -1.063 61.193 62.100 0.260 0.000 0.967 65 T CB 1.971 70.974 68.868 0.224 0.000 0.960 65 T HN 0.127 8.363 8.240 -0.006 0.000 0.441 66 F N 3.814 123.839 119.950 0.125 0.000 2.461 66 F HA 0.249 4.992 4.527 0.219 -0.084 0.337 66 F C -0.759 175.128 175.800 0.145 0.000 1.079 66 F CA -1.162 56.935 58.000 0.162 0.000 1.032 66 F CB 2.336 41.417 39.000 0.136 0.000 1.327 66 F HN -0.078 8.584 8.300 0.605 0.000 0.491 67 Y N -0.779 119.664 120.300 0.239 0.000 2.467 67 Y HA 0.086 4.627 4.550 -0.015 0.000 0.259 67 Y C -1.093 174.871 175.900 0.107 0.000 1.084 67 Y CA 0.014 58.166 58.100 0.087 0.000 1.275 67 Y CB 3.521 42.028 38.460 0.080 0.000 1.208 67 Y HN -0.062 8.535 8.280 0.527 0.000 0.511 68 T N -0.875 113.783 114.554 0.173 0.000 3.053 68 T HA 0.410 4.688 4.350 -0.120 0.000 0.363 68 T C 0.606 175.336 174.700 0.050 0.000 1.239 68 T CA -2.904 59.230 62.100 0.056 0.000 1.071 68 T CB 0.337 69.307 68.868 0.169 0.000 1.089 68 T HN -0.497 7.970 8.240 0.378 0.000 0.527 69 R N 6.281 126.765 120.500 -0.028 0.000 2.139 69 R HA -0.439 3.877 4.340 -0.039 0.000 0.243 69 R C 0.714 176.992 176.300 -0.037 0.000 1.145 69 R CA 3.150 59.227 56.100 -0.038 0.000 0.976 69 R CB -0.865 29.405 30.300 -0.051 0.000 0.866 69 R HN 0.356 8.573 8.270 -0.087 0.000 0.449 70 K N -0.116 120.272 120.400 -0.020 0.000 2.063 70 K HA -0.182 4.129 4.320 -0.016 0.000 0.208 70 K C 2.078 178.680 176.600 0.003 0.000 1.048 70 K CA 2.666 58.949 56.287 -0.008 0.000 0.928 70 K CB -0.555 31.946 32.500 0.003 0.000 0.713 70 K HN -0.149 8.064 8.250 -0.025 0.023 0.442 71 A N -1.180 121.656 122.820 0.028 0.000 1.969 71 A HA -0.196 4.158 4.320 0.056 0.000 0.218 71 A C 1.522 179.092 177.584 -0.024 0.000 1.169 71 A CA 2.518 54.584 52.037 0.050 0.000 0.635 71 A CB -0.717 18.366 19.000 0.137 0.000 0.810 71 A HN -0.449 7.629 8.150 0.043 0.097 0.445 72 A N -2.579 120.168 122.820 -0.121 0.000 2.019 72 A HA -0.272 3.787 4.320 -0.434 0.000 0.219 72 A C 1.522 179.022 177.584 -0.140 0.000 1.164 72 A CA 2.469 54.346 52.037 -0.266 0.000 0.644 72 A CB -0.613 18.205 19.000 -0.303 0.000 0.805 72 A HN -0.510 7.466 8.150 -0.080 0.127 0.449 73 L N -3.406 117.776 121.223 -0.068 0.000 2.043 73 L HA -0.507 3.813 4.340 -0.034 0.000 0.212 73 L C 2.165 179.025 176.870 -0.017 0.000 1.075 73 L CA 2.811 57.630 54.840 -0.033 0.000 0.752 73 L CB -0.550 41.499 42.059 -0.016 0.000 0.891 73 L HN -0.656 7.394 8.230 -0.056 0.146 0.432 74 E N -2.066 118.134 120.200 0.001 0.000 2.085 74 E HA -0.384 3.983 4.350 0.029 0.000 0.194 74 E C 2.139 178.764 176.600 0.041 0.000 0.994 74 E CA 2.823 59.244 56.400 0.035 0.000 0.801 74 E CB -0.609 29.132 29.700 0.069 0.000 0.743 74 E HN -0.561 7.796 8.360 0.001 0.003 0.453 75 A N -1.975 120.846 122.820 0.001 0.000 1.940 75 A HA -0.386 3.925 4.320 -0.015 0.000 0.219 75 A C 2.124 179.646 177.584 -0.103 0.000 1.176 75 A CA 3.186 55.162 52.037 -0.101 0.000 0.631 75 A CB -0.949 17.884 19.000 -0.279 0.000 0.814 75 A HN -0.533 7.498 8.150 -0.027 0.103 0.446 76 Q N -2.752 117.022 119.800 -0.044 0.000 2.061 76 Q HA -0.313 4.058 4.340 0.052 0.000 0.204 76 Q C 2.863 178.890 176.000 0.046 0.000 0.984 76 Q CA 2.630 58.458 55.803 0.042 0.000 0.846 76 Q CB -0.858 27.933 28.738 0.090 0.000 0.902 76 Q HN -0.309 7.815 8.270 -0.049 0.116 0.421 77 N N -0.770 117.937 118.700 0.011 0.000 2.309 77 N HA -0.171 4.550 4.740 -0.032 0.000 0.182 77 N C 0.781 176.305 175.510 0.023 0.000 1.018 77 N CA 2.089 55.138 53.050 -0.001 0.000 0.876 77 N CB -0.392 38.096 38.487 0.001 0.000 0.972 77 N HN -0.476 7.827 8.380 0.009 0.082 0.434 78 A N -2.908 119.936 122.820 0.040 0.000 2.067 78 A HA -0.029 4.346 4.320 0.092 0.000 0.217 78 A C -0.106 177.498 177.584 0.033 0.000 1.156 78 A CA 2.205 54.289 52.037 0.079 0.000 0.683 78 A CB 0.819 19.943 19.000 0.207 0.000 0.808 78 A HN -0.265 7.761 8.150 0.030 0.143 0.455 79 L N -10.552 110.668 121.223 -0.004 0.000 2.376 79 L HA 0.206 4.561 4.340 0.025 0.000 0.153 79 L C -0.785 176.141 176.870 0.094 0.000 1.272 79 L CA 0.434 55.278 54.840 0.006 0.000 1.005 79 L CB 1.579 43.592 42.059 -0.076 0.000 2.027 79 L HN -0.503 7.574 8.230 -0.005 0.149 0.495 80 H N -1.011 118.020 119.070 -0.065 0.000 2.522 80 H HA -0.405 4.119 4.556 -0.052 0.000 0.117 80 H C 0.140 175.451 175.328 -0.028 0.000 0.995 80 H CA 0.262 56.282 56.048 -0.045 0.000 1.550 80 H CB 0.070 29.811 29.762 -0.034 0.000 2.120 80 H HN -0.616 7.675 8.280 0.017 0.000 0.728 81 N N 0.781 119.189 118.700 -0.486 0.000 2.334 81 N HA -0.276 4.341 4.740 -0.204 0.000 0.187 81 N C -0.832 174.652 175.510 -0.044 0.000 1.016 81 N CA 2.167 55.070 53.050 -0.246 0.000 0.879 81 N CB 0.291 38.605 38.487 -0.288 0.000 0.965 81 N HN 0.334 7.793 8.380 -1.535 0.000 0.438 82 M N -4.126 115.508 119.600 0.058 0.000 2.197 82 M HA 0.248 4.747 4.480 0.032 0.000 0.301 82 M C -2.007 174.331 176.300 0.063 0.000 0.987 82 M CA -0.651 54.685 55.300 0.060 0.000 0.921 82 M CB 2.069 34.712 32.600 0.073 0.000 1.569 82 M HN -0.854 7.479 8.290 0.152 0.048 0.431 83 K N 4.206 124.630 120.400 0.039 0.000 2.426 83 K HA 0.193 4.537 4.320 0.039 0.000 0.251 83 K C -1.631 174.986 176.600 0.028 0.000 0.941 83 K CA -0.545 55.763 56.287 0.035 0.000 0.808 83 K CB 2.922 35.440 32.500 0.029 0.000 1.265 83 K HN 0.116 8.385 8.250 0.032 0.000 0.432 84 V N 2.682 122.611 119.914 0.025 0.000 2.444 84 V HA 0.274 4.406 4.120 0.020 0.000 0.294 84 V C -1.164 174.942 176.094 0.021 0.000 1.022 84 V CA -0.399 61.914 62.300 0.021 0.000 0.850 84 V CB 1.155 32.989 31.823 0.018 0.000 0.992 84 V HN 0.238 8.444 8.190 0.027 0.000 0.426 85 L N 9.597 130.832 121.223 0.020 0.000 2.334 85 L HA 0.544 4.895 4.340 0.018 0.000 0.273 85 L C -1.200 175.684 176.870 0.022 0.000 1.013 85 L CA -2.496 52.355 54.840 0.020 0.000 0.816 85 L CB 0.679 42.750 42.059 0.019 0.000 1.278 85 L HN -0.023 8.219 8.230 0.019 0.000 0.431 86 P HA -0.297 4.136 4.420 0.021 0.000 0.229 86 P C -0.038 177.284 177.300 0.036 0.000 1.147 86 P CA 1.036 64.152 63.100 0.027 0.000 0.949 86 P CB 0.292 32.010 31.700 0.030 0.000 0.786 87 G N -6.121 102.707 108.800 0.047 0.000 2.176 87 G HA2 -0.331 3.649 3.960 0.033 0.000 0.232 87 G HA3 -0.331 3.651 3.960 0.036 0.000 0.232 87 G C 0.479 175.421 174.900 0.070 0.000 0.986 87 G CA 0.126 45.253 45.100 0.045 0.000 0.643 87 G HN 0.389 8.708 8.290 0.052 0.002 0.522 88 M N -1.200 118.462 119.600 0.103 0.000 2.115 88 M HA -0.230 4.312 4.480 0.104 0.000 0.258 88 M C 0.559 176.982 176.300 0.206 0.000 1.071 88 M CA 2.070 57.456 55.300 0.144 0.000 1.100 88 M CB 0.179 32.883 32.600 0.174 0.000 1.292 88 M HN -0.329 7.956 8.290 0.097 0.063 0.415 89 H N -6.747 112.367 119.070 0.073 0.000 3.722 89 H HA 0.061 4.560 4.556 -0.095 0.000 0.277 89 H C -1.974 173.117 175.328 -0.395 0.000 1.129 89 H CA 0.264 56.233 56.048 -0.131 0.000 1.087 89 H CB 0.568 30.220 29.762 -0.183 0.000 3.199 89 H HN -0.284 8.181 8.280 0.307 0.000 0.779 90 H N 0.922 119.963 119.070 -0.049 0.000 2.511 90 H HA 0.274 4.753 4.556 -0.129 0.000 0.228 90 H C -2.476 172.806 175.328 -0.077 0.000 1.424 90 H CA -2.039 53.959 56.048 -0.083 0.000 1.321 90 H CB -0.073 29.657 29.762 -0.053 0.000 1.720 90 H HN -0.188 8.186 8.280 0.157 0.000 0.512 91 P HA 0.179 4.604 4.420 0.009 0.000 0.284 91 P C -1.899 175.394 177.300 -0.013 0.000 1.253 91 P CA -0.570 62.522 63.100 -0.014 0.000 0.800 91 P CB 1.037 32.716 31.700 -0.036 0.000 0.961 92 I N -4.000 116.573 120.570 0.004 0.000 2.769 92 I HA 0.631 5.100 4.170 0.017 -0.290 0.298 92 I C -1.788 174.350 176.117 0.034 0.000 1.128 92 I CA -2.681 58.628 61.300 0.015 0.000 1.031 92 I CB 4.060 42.061 38.000 0.001 0.000 1.235 92 I HN -0.228 7.987 8.210 0.009 0.000 0.423 93 Q N 2.546 122.383 119.800 0.061 0.000 2.325 93 Q HA 0.372 4.744 4.340 0.053 0.000 0.270 93 Q C -1.922 174.144 176.000 0.110 0.000 1.020 93 Q CA -1.254 54.593 55.803 0.073 0.000 0.785 93 Q CB 3.717 32.501 28.738 0.076 0.000 1.259 93 Q HN 0.039 8.353 8.270 0.074 0.000 0.452 94 M N 5.628 125.278 119.600 0.084 0.000 2.197 94 M HA 0.405 5.124 4.480 0.170 -0.136 0.301 94 M C -2.000 174.336 176.300 0.060 0.000 0.987 94 M CA -0.601 54.758 55.300 0.100 0.000 0.921 94 M CB 3.416 36.044 32.600 0.047 0.000 1.569 94 M HN 0.453 8.776 8.290 0.055 0.000 0.431 95 K N 3.604 124.060 120.400 0.094 0.000 2.502 95 K HA 0.737 5.184 4.320 -0.030 -0.146 0.257 95 K C -3.224 173.406 176.600 0.051 0.000 0.938 95 K CA -3.638 52.665 56.287 0.026 0.000 0.819 95 K CB 2.782 35.283 32.500 0.001 0.000 1.333 95 K HN 0.995 9.350 8.250 0.173 0.000 0.434 96 P HA 0.356 4.916 4.420 0.060 -0.105 0.305 96 P C -1.302 175.992 177.300 -0.011 0.000 1.387 96 P CA -1.198 61.902 63.100 0.000 0.000 0.903 96 P CB 0.780 32.446 31.700 -0.056 0.000 0.979 97 A N 5.261 128.104 122.820 0.039 0.000 1.797 97 A HA -0.418 3.928 4.320 0.042 0.000 0.241 97 A C 0.274 177.836 177.584 -0.036 0.000 1.262 97 A CA 0.669 52.715 52.037 0.015 0.000 0.738 97 A CB -0.515 18.490 19.000 0.009 0.000 1.189 97 A HN -0.046 8.160 8.150 0.094 0.000 0.272 98 D N 1.350 121.710 120.400 -0.067 0.000 2.265 98 D HA -0.382 4.198 4.640 -0.099 0.000 0.208 98 D C 1.334 177.586 176.300 -0.080 0.000 0.977 98 D CA 3.028 56.966 54.000 -0.103 0.000 0.871 98 D CB 0.074 40.770 40.800 -0.173 0.000 0.925 98 D HN 0.486 8.817 8.370 -0.064 0.000 0.485 99 S N -2.845 112.816 115.700 -0.064 0.000 2.423 99 S HA -0.220 4.220 4.470 -0.050 0.000 0.231 99 S C 0.235 174.814 174.600 -0.035 0.000 1.014 99 S CA 2.165 60.337 58.200 -0.047 0.000 0.965 99 S CB 0.173 63.350 63.200 -0.038 0.000 0.785 99 S HN -0.012 8.218 8.310 -0.060 0.044 0.495 100 E N -1.526 118.653 120.200 -0.036 0.000 3.575 100 E HA 0.198 4.532 4.350 -0.026 0.000 0.201 100 E C -0.336 176.239 176.600 -0.041 0.000 0.999 100 E CA -0.966 55.416 56.400 -0.030 0.000 1.315 100 E CB -0.394 29.293 29.700 -0.022 0.000 1.146 100 E HN -0.246 7.934 8.360 -0.039 0.156 0.453 101 K N -0.201 120.165 120.400 -0.056 0.000 2.286 101 K HA -0.356 3.897 4.320 -0.112 0.000 0.203 101 K C 0.150 176.712 176.600 -0.062 0.000 1.045 101 K CA 2.086 58.321 56.287 -0.086 0.000 0.935 101 K CB -0.242 32.199 32.500 -0.097 0.000 0.737 101 K HN -0.694 7.524 8.250 -0.054 0.000 0.460 102 N N -5.014 113.667 118.700 -0.031 0.000 2.886 102 N HA -0.313 4.421 4.740 -0.010 0.000 0.204 102 N C -1.043 174.467 175.510 -0.001 0.000 0.998 102 N CA 1.873 54.917 53.050 -0.010 0.000 1.114 102 N CB -0.831 37.659 38.487 0.004 0.000 0.964 102 N HN 0.345 8.652 8.380 -0.031 0.054 0.581 103 N N -0.527 118.171 118.700 -0.004 0.000 2.575 103 N HA 0.153 4.902 4.740 0.014 0.000 0.275 103 N C -0.651 174.861 175.510 0.002 0.000 1.202 103 N CA -0.014 53.042 53.050 0.009 0.000 0.945 103 N CB -0.123 38.383 38.487 0.031 0.000 1.247 103 N HN 0.041 8.248 8.380 -0.026 0.157 0.510 104 A N 0.281 123.100 122.820 -0.001 0.000 2.070 104 A HA -0.230 4.092 4.320 0.004 0.000 0.220 104 A C 1.808 179.404 177.584 0.019 0.000 1.159 104 A CA 2.755 54.795 52.037 0.005 0.000 0.656 104 A CB -0.202 18.799 19.000 0.002 0.000 0.800 104 A HN 0.142 8.188 8.150 -0.004 0.102 0.453 105 V N -3.739 116.182 119.914 0.011 0.000 2.392 105 V HA -0.436 3.690 4.120 0.011 0.000 0.249 105 V C 1.494 177.604 176.094 0.026 0.000 1.059 105 V CA 3.162 65.468 62.300 0.010 0.000 1.051 105 V CB -0.528 31.292 31.823 -0.006 0.000 0.658 105 V HN -0.306 7.847 8.190 0.005 0.040 0.455 106 E N -1.822 118.396 120.200 0.029 0.000 2.265 106 E HA -0.330 4.047 4.350 0.045 0.000 0.196 106 E C 0.608 177.259 176.600 0.085 0.000 0.996 106 E CA 2.118 58.547 56.400 0.047 0.000 0.832 106 E CB -0.824 28.899 29.700 0.039 0.000 0.756 106 E HN -0.402 7.861 8.360 0.021 0.110 0.491 107 D N -0.941 119.508 120.400 0.081 0.000 2.133 107 D HA -0.240 4.464 4.640 0.107 0.000 0.195 107 D C 0.095 176.535 176.300 0.233 0.000 0.997 107 D CA 2.469 56.540 54.000 0.119 0.000 0.840 107 D CB 0.684 41.532 40.800 0.080 0.000 0.947 107 D HN -0.333 7.892 8.370 0.055 0.178 0.452 108 R N -2.275 118.334 120.500 0.182 0.000 2.435 108 R HA 0.252 4.868 4.340 0.461 0.000 0.308 108 R C -1.825 174.406 176.300 -0.115 0.000 0.975 108 R CA -1.574 54.630 56.100 0.173 0.000 0.867 108 R CB -0.187 30.242 30.300 0.215 0.000 1.171 108 R HN -0.584 7.746 8.270 0.111 0.007 0.470 109 K N 3.627 123.765 120.400 -0.438 0.000 2.371 109 K HA 0.827 5.225 4.320 -0.159 -0.174 0.251 109 K C -1.599 174.672 176.600 -0.548 0.000 0.934 109 K CA -1.861 54.237 56.287 -0.313 0.000 0.798 109 K CB 3.764 36.242 32.500 -0.036 0.000 1.204 109 K HN 0.406 8.248 8.250 -0.680 0.000 0.427 110 L N 1.291 122.380 121.223 -0.223 0.000 2.386 110 L HA 0.357 4.714 4.340 -0.191 -0.131 0.271 110 L C -1.921 174.931 176.870 -0.030 0.000 0.993 110 L CA -1.312 53.441 54.840 -0.145 0.000 0.819 110 L CB 2.984 44.997 42.059 -0.078 0.000 1.294 110 L HN 0.706 8.881 8.230 -0.092 0.000 0.414 111 F N 5.645 125.476 119.950 -0.198 0.000 2.477 111 F HA 0.503 4.628 4.527 -0.671 0.000 0.335 111 F C -2.322 173.335 175.800 -0.239 0.000 1.130 111 F CA -1.852 55.929 58.000 -0.366 0.000 0.948 111 F CB 3.535 42.364 39.000 -0.286 0.000 1.154 111 F HN 0.279 8.629 8.300 0.083 0.000 0.439 112 I N 5.806 125.780 120.570 -0.993 0.000 2.433 112 I HA 0.835 4.974 4.170 -0.492 -0.264 0.292 112 I C -0.084 175.433 176.117 -0.999 0.000 1.001 112 I CA -2.071 58.800 61.300 -0.716 0.000 1.119 112 I CB 1.633 39.447 38.000 -0.310 0.000 1.289 112 I HN 0.403 7.965 8.210 -1.079 0.000 0.438 113 G N 5.603 114.005 108.800 -0.665 0.000 2.570 113 G HA2 0.199 3.813 3.960 -0.576 0.000 0.209 113 G HA3 0.199 3.993 3.960 -0.276 0.000 0.209 113 G C -1.675 173.099 174.900 -0.209 0.000 1.168 113 G CA 0.612 45.447 45.100 -0.443 0.000 0.831 113 G HN 0.109 8.132 8.290 -0.445 0.000 0.564 114 M N -1.132 118.382 119.600 -0.144 0.000 2.043 114 M HA 0.562 5.111 4.480 -0.071 -0.112 0.322 114 M C -1.717 174.543 176.300 -0.068 0.000 0.962 114 M CA -0.791 54.460 55.300 -0.081 0.000 0.927 114 M CB 0.440 33.008 32.600 -0.052 0.000 1.466 114 M HN -0.633 7.567 8.290 -0.149 0.000 0.412 115 I N -2.575 117.962 120.570 -0.054 0.000 2.892 115 I HA 0.436 4.590 4.170 -0.026 0.000 0.306 115 I C -1.372 174.736 176.117 -0.017 0.000 1.078 115 I CA -2.207 59.075 61.300 -0.030 0.000 1.032 115 I CB 3.299 41.285 38.000 -0.023 0.000 1.229 115 I HN -0.209 7.968 8.210 -0.056 0.000 0.435 116 S N 0.332 116.028 115.700 -0.007 0.000 2.562 116 S HA -0.077 4.389 4.470 -0.007 0.000 0.281 116 S C 1.254 175.854 174.600 -0.000 0.000 1.333 116 S CA 0.260 58.458 58.200 -0.004 0.000 1.052 116 S CB 0.908 64.107 63.200 -0.002 0.000 0.884 116 S HN 0.396 8.704 8.310 -0.004 0.000 0.506 117 K N 5.967 126.367 120.400 -0.000 0.000 2.209 117 K HA -0.239 4.225 4.320 0.003 -0.141 0.204 117 K C 1.310 177.913 176.600 0.004 0.000 1.048 117 K CA 2.502 58.790 56.287 0.002 0.000 0.940 117 K CB -0.102 32.399 32.500 0.002 0.000 0.729 117 K HN 0.652 8.901 8.250 -0.002 0.000 0.451 118 K N -0.078 120.324 120.400 0.004 0.000 2.911 118 K HA 0.014 4.337 4.320 0.005 0.000 0.239 118 K C -1.034 175.571 176.600 0.008 0.000 1.090 118 K CA -0.981 55.309 56.287 0.005 0.000 1.225 118 K CB -1.722 30.779 32.500 0.002 0.000 1.087 118 K HN -0.620 7.595 8.250 0.002 0.037 0.464 119 C N -1.002 118.304 119.300 0.011 0.000 2.319 119 C HA 0.126 4.597 4.460 0.019 0.000 0.323 119 C C -0.635 174.365 174.990 0.017 0.000 1.277 119 C CA -1.260 57.768 59.018 0.018 0.000 1.517 119 C CB 2.638 30.392 27.740 0.023 0.000 2.206 119 C HN -0.719 7.399 8.230 0.009 0.117 0.486 120 T N 4.353 118.917 114.554 0.018 0.000 2.912 120 T HA 0.251 4.608 4.350 0.012 0.000 0.280 120 T C 0.367 175.077 174.700 0.016 0.000 0.989 120 T CA -1.251 60.857 62.100 0.014 0.000 0.995 120 T CB 1.814 70.687 68.868 0.009 0.000 1.077 120 T HN 0.005 8.256 8.240 0.019 0.000 0.531 121 E N 2.159 122.364 120.200 0.009 0.000 2.047 121 E HA -0.356 3.996 4.350 0.004 0.000 0.191 121 E C 1.923 178.520 176.600 -0.006 0.000 0.987 121 E CA 3.510 59.911 56.400 0.002 0.000 0.799 121 E CB 0.130 29.829 29.700 -0.001 0.000 0.752 121 E HN 0.474 8.838 8.360 0.007 0.000 0.449 122 N N -2.240 116.457 118.700 -0.005 0.000 2.270 122 N HA -0.217 4.512 4.740 -0.017 0.000 0.181 122 N C 1.594 177.107 175.510 0.006 0.000 1.016 122 N CA 2.437 55.482 53.050 -0.008 0.000 0.870 122 N CB -0.442 38.039 38.487 -0.010 0.000 0.979 122 N HN -0.008 8.370 8.380 -0.003 0.000 0.431 123 D N -0.749 119.659 120.400 0.013 0.000 2.178 123 D HA -0.230 4.418 4.640 0.014 0.000 0.201 123 D C 2.074 178.403 176.300 0.048 0.000 0.980 123 D CA 2.880 56.892 54.000 0.021 0.000 0.842 123 D CB -0.207 40.604 40.800 0.018 0.000 0.948 123 D HN 0.070 8.356 8.370 0.010 0.090 0.472 124 I N -1.384 119.224 120.570 0.063 0.000 2.286 124 I HA -0.454 3.822 4.170 0.176 0.000 0.248 124 I C 1.509 177.748 176.117 0.203 0.000 1.115 124 I CA 2.059 63.444 61.300 0.141 0.000 1.392 124 I CB -0.853 37.201 38.000 0.089 0.000 1.065 124 I HN -0.403 7.703 8.210 0.038 0.127 0.418 125 R N -0.227 120.320 120.500 0.079 0.000 2.103 125 R HA -0.336 4.046 4.340 0.069 0.000 0.242 125 R C 2.177 178.530 176.300 0.088 0.000 1.142 125 R CA 3.596 59.735 56.100 0.065 0.000 0.960 125 R CB -0.580 29.716 30.300 -0.006 0.000 0.858 125 R HN -0.655 7.513 8.270 0.033 0.121 0.439 126 V N -1.469 118.474 119.914 0.048 0.000 2.282 126 V HA -0.452 3.663 4.120 -0.008 0.000 0.249 126 V C 1.961 178.037 176.094 -0.030 0.000 1.057 126 V CA 3.991 66.294 62.300 0.006 0.000 1.032 126 V CB -0.577 31.244 31.823 -0.003 0.000 0.645 126 V HN -0.644 7.460 8.190 0.045 0.113 0.447 127 M N -0.728 118.870 119.600 -0.004 0.000 2.132 127 M HA -0.336 4.025 4.480 -0.199 0.000 0.263 127 M C 2.772 178.834 176.300 -0.396 0.000 1.065 127 M CA 3.397 58.605 55.300 -0.153 0.000 1.122 127 M CB -0.309 32.237 32.600 -0.090 0.000 1.365 127 M HN -0.763 7.570 8.290 0.072 0.000 0.411 128 F N -1.509 118.320 119.950 -0.202 0.000 2.407 128 F HA -0.192 4.079 4.527 -0.428 0.000 0.299 128 F C 2.196 177.904 175.800 -0.152 0.000 1.097 128 F CA 2.894 60.821 58.000 -0.122 0.000 1.422 128 F CB -0.567 38.571 39.000 0.231 0.000 1.067 128 F HN -0.253 8.187 8.300 0.371 0.082 0.539 129 S N -0.508 115.190 115.700 -0.004 0.000 2.442 129 S HA -0.293 4.204 4.470 0.046 0.000 0.236 129 S C 0.904 175.462 174.600 -0.070 0.000 1.007 129 S CA 2.039 60.233 58.200 -0.011 0.000 0.965 129 S CB -0.348 62.837 63.200 -0.023 0.000 0.773 129 S HN 0.196 8.352 8.310 0.001 0.155 0.504 130 S N 0.360 115.892 115.700 -0.280 0.000 2.447 130 S HA -0.189 4.204 4.470 -0.128 0.000 0.233 130 S C 0.859 175.386 174.600 -0.122 0.000 1.006 130 S CA 2.675 60.712 58.200 -0.271 0.000 0.957 130 S CB 0.103 63.051 63.200 -0.421 0.000 0.773 130 S HN -0.611 7.306 8.310 -0.412 0.145 0.507 131 F N -0.574 119.462 119.950 0.144 0.000 2.104 131 F HA -0.034 4.533 4.527 0.067 0.000 0.288 131 F C 0.761 176.715 175.800 0.257 0.000 1.107 131 F CA 0.650 58.750 58.000 0.166 0.000 1.208 131 F CB 0.759 39.867 39.000 0.180 0.000 1.033 131 F HN -0.483 7.414 8.300 -0.406 0.160 0.478 132 G N -4.225 104.966 108.800 0.652 0.000 2.562 132 G HA2 0.047 4.176 3.960 0.281 0.000 0.190 132 G HA3 0.047 4.342 3.960 0.558 0.000 0.190 132 G C -2.192 172.863 174.900 0.259 0.000 1.196 132 G CA -0.141 45.237 45.100 0.465 0.000 0.986 132 G HN -0.839 7.916 8.290 0.775 0.000 0.512 133 Q N 1.195 121.096 119.800 0.169 0.000 2.288 133 Q HA 0.236 4.534 4.340 -0.070 0.000 0.258 133 Q C -0.992 174.718 176.000 -0.484 0.000 0.957 133 Q CA -1.182 54.575 55.803 -0.076 0.000 0.919 133 Q CB 1.044 29.788 28.738 0.008 0.000 1.185 133 Q HN 0.235 8.699 8.270 0.322 0.000 0.408 134 I N 6.068 126.361 120.570 -0.462 0.000 2.377 134 I HA 0.009 3.585 4.170 -0.990 0.000 0.293 134 I C -0.154 175.788 176.117 -0.291 0.000 0.987 134 I CA -0.637 60.312 61.300 -0.586 0.000 1.185 134 I CB 2.762 40.495 38.000 -0.444 0.000 1.341 134 I HN 0.376 8.425 8.210 -0.268 0.000 0.455 135 E N 6.331 126.386 120.200 -0.241 0.000 2.060 135 E HA -0.017 4.272 4.350 -0.102 0.000 0.189 135 E C -0.627 175.908 176.600 -0.108 0.000 0.974 135 E CA 1.498 57.824 56.400 -0.124 0.000 0.808 135 E CB 0.972 30.631 29.700 -0.069 0.000 0.768 135 E HN 0.239 8.421 8.360 -0.297 0.000 0.453 136 E N -2.134 117.993 120.200 -0.122 0.000 2.366 136 E HA 0.192 4.488 4.350 -0.090 0.000 0.278 136 E C -2.354 174.170 176.600 -0.126 0.000 0.923 136 E CA -1.129 55.211 56.400 -0.099 0.000 0.761 136 E CB 3.026 32.688 29.700 -0.065 0.000 1.231 136 E HN -0.436 7.837 8.360 -0.145 0.000 0.443 137 C N 2.175 121.410 119.300 -0.108 0.000 2.369 137 C HA 0.542 4.894 4.460 -0.181 0.000 0.322 137 C C -1.215 173.735 174.990 -0.067 0.000 1.258 137 C CA -2.635 56.309 59.018 -0.125 0.000 1.487 137 C CB 2.108 29.775 27.740 -0.121 0.000 2.165 137 C HN 0.446 8.625 8.230 -0.085 0.000 0.483 138 R N 2.162 122.636 120.500 -0.043 0.000 2.673 138 R HA 0.529 5.137 4.340 0.002 -0.267 0.281 138 R C -1.537 174.797 176.300 0.056 0.000 0.991 138 R CA -2.077 54.036 56.100 0.021 0.000 0.896 138 R CB 3.549 33.885 30.300 0.061 0.000 1.201 138 R HN 0.543 8.766 8.270 -0.078 0.000 0.457 139 I N 1.055 121.660 120.570 0.059 0.000 2.769 139 I HA 0.169 4.388 4.170 0.083 0.000 0.298 139 I C -1.932 174.234 176.117 0.082 0.000 1.128 139 I CA -1.215 60.125 61.300 0.066 0.000 1.031 139 I CB 4.472 42.490 38.000 0.030 0.000 1.235 139 I HN -0.149 8.242 8.210 0.041 -0.157 0.423 140 L N 6.065 127.345 121.223 0.096 0.000 2.325 140 L HA 0.468 4.851 4.340 0.072 0.000 0.281 140 L C -2.117 174.787 176.870 0.056 0.000 1.004 140 L CA -0.951 53.943 54.840 0.090 0.000 0.823 140 L CB 1.067 43.214 42.059 0.147 0.000 1.236 140 L HN 1.151 9.328 8.230 0.090 0.107 0.415 141 R N 1.379 121.903 120.500 0.040 0.000 2.725 141 R HA 0.328 4.786 4.340 0.028 -0.101 0.277 141 R C -1.070 175.244 176.300 0.024 0.000 0.987 141 R CA -1.483 54.634 56.100 0.028 0.000 0.901 141 R CB 2.264 32.576 30.300 0.020 0.000 1.207 141 R HN 0.244 8.538 8.270 0.039 0.000 0.463 142 G N 0.006 108.819 108.800 0.021 0.000 2.432 142 G HA2 0.537 4.508 3.960 0.018 0.000 0.331 142 G HA3 0.537 4.508 3.960 0.019 0.000 0.331 142 G C -1.341 173.567 174.900 0.013 0.000 1.170 142 G CA -2.880 42.231 45.100 0.018 0.000 0.943 142 G HN -0.167 8.209 8.290 0.019 -0.075 0.483 143 P HA -0.154 4.270 4.420 0.007 0.000 0.242 143 P C -0.651 176.654 177.300 0.007 0.000 1.198 143 P CA 0.767 63.872 63.100 0.008 0.000 0.756 143 P CB -0.074 31.630 31.700 0.006 0.000 0.911 144 D N -1.558 118.848 120.400 0.009 0.000 2.311 144 D HA -0.226 4.418 4.640 0.007 0.000 0.212 144 D C 0.714 177.018 176.300 0.006 0.000 0.972 144 D CA 1.029 55.034 54.000 0.008 0.000 0.887 144 D CB 0.077 40.882 40.800 0.009 0.000 0.915 144 D HN 0.085 8.337 8.370 0.010 0.124 0.497 145 G N -1.429 107.375 108.800 0.006 0.000 2.367 145 G HA2 -0.221 3.742 3.960 0.004 0.000 0.181 145 G HA3 -0.221 3.742 3.960 0.004 0.000 0.181 145 G C -1.038 173.865 174.900 0.005 0.000 1.000 145 G CA -0.266 44.837 45.100 0.005 0.000 0.693 145 G HN -0.449 7.788 8.290 0.007 0.058 0.480 146 L N -6.303 114.924 121.223 0.007 0.000 2.630 146 L HA 0.455 4.798 4.340 0.006 0.000 0.258 146 L C -2.304 174.571 176.870 0.009 0.000 1.072 146 L CA -1.857 52.987 54.840 0.007 0.000 0.885 146 L CB 0.857 42.919 42.059 0.005 0.000 1.502 146 L HN -0.851 7.383 8.230 0.008 0.000 0.406 147 S N 0.436 116.141 115.700 0.009 0.000 2.481 147 S HA 0.101 4.581 4.470 0.015 0.000 0.276 147 S C 1.044 175.651 174.600 0.012 0.000 1.247 147 S CA -0.869 57.338 58.200 0.012 0.000 1.053 147 S CB 0.987 64.194 63.200 0.012 0.000 0.925 147 S HN -0.139 8.175 8.310 0.008 0.000 0.491 148 R N 7.982 128.492 120.500 0.017 0.000 2.154 148 R HA -0.289 4.061 4.340 0.016 0.000 0.248 148 R C 0.716 177.022 176.300 0.010 0.000 1.155 148 R CA 1.164 57.275 56.100 0.018 0.000 0.979 148 R CB -0.512 29.806 30.300 0.030 0.000 0.869 148 R HN 0.575 8.943 8.270 0.021 -0.084 0.452 149 G N -1.712 107.091 108.800 0.005 0.000 2.186 149 G HA2 -0.239 3.801 3.960 -0.014 0.000 0.130 149 G HA3 -0.239 3.711 3.960 -0.016 0.000 0.130 149 G C -1.445 173.429 174.900 -0.042 0.000 1.031 149 G CA -0.793 44.298 45.100 -0.015 0.000 0.697 149 G HN -0.446 7.833 8.290 0.011 0.018 0.494 150 C N -0.304 118.978 119.300 -0.030 0.000 2.712 150 C HA 0.533 4.986 4.460 -0.187 -0.105 0.308 150 C C -2.663 172.292 174.990 -0.059 0.000 1.201 150 C CA -2.042 56.923 59.018 -0.088 0.000 1.554 150 C CB 2.716 30.446 27.740 -0.016 0.000 2.117 150 C HN -0.675 7.557 8.230 0.003 0.000 0.480 151 A N 3.892 126.600 122.820 -0.187 0.000 2.549 151 A HA 0.787 5.142 4.320 0.059 0.000 0.297 151 A C -2.659 174.780 177.584 -0.242 0.000 1.061 151 A CA -1.048 50.934 52.037 -0.092 0.000 0.690 151 A CB 3.349 22.310 19.000 -0.065 0.000 1.287 151 A HN 0.299 8.218 8.150 -0.385 0.000 0.402 152 F N -0.809 119.110 119.950 -0.051 0.000 2.532 152 F HA 0.818 5.517 4.527 0.004 -0.170 0.321 152 F C -1.401 174.322 175.800 -0.129 0.000 1.089 152 F CA -1.142 56.838 58.000 -0.033 0.000 0.926 152 F CB 4.498 43.510 39.000 0.019 0.000 1.168 152 F HN 0.337 8.646 8.300 0.222 0.124 0.459 153 V N 1.065 120.977 119.914 -0.003 0.000 2.971 153 V HA 0.401 4.532 4.120 -0.161 -0.108 0.309 153 V C -1.304 174.740 176.094 -0.083 0.000 1.130 153 V CA -1.387 60.816 62.300 -0.161 0.000 0.964 153 V CB 4.264 35.797 31.823 -0.482 0.000 1.029 153 V HN 0.397 8.609 8.190 0.038 0.000 0.427 154 T N 6.760 121.260 114.554 -0.089 0.000 2.812 154 T HA 0.647 5.228 4.350 -0.040 -0.256 0.282 154 T C -1.628 173.061 174.700 -0.018 0.000 0.990 154 T CA -0.955 61.120 62.100 -0.042 0.000 0.960 154 T CB 1.673 70.518 68.868 -0.037 0.000 0.948 154 T HN 0.526 8.684 8.240 -0.137 0.000 0.438 155 F N 7.306 127.229 119.950 -0.045 0.000 2.493 155 F HA 0.255 4.807 4.527 0.042 0.000 0.329 155 F C 0.261 176.102 175.800 0.068 0.000 1.126 155 F CA -1.572 56.447 58.000 0.032 0.000 0.937 155 F CB 3.546 42.587 39.000 0.067 0.000 1.146 155 F HN -0.331 8.044 8.300 0.125 0.000 0.442 156 T N 2.318 117.040 114.554 0.280 0.000 2.531 156 T HA -0.392 4.041 4.350 0.138 0.000 0.261 156 T C 0.065 174.934 174.700 0.283 0.000 1.141 156 T CA 3.132 65.371 62.100 0.232 0.000 1.176 156 T CB 0.133 69.105 68.868 0.172 0.000 0.863 156 T HN -0.046 8.192 8.240 -0.003 0.000 0.424 157 T N -1.067 113.700 114.554 0.354 0.000 2.767 157 T HA 0.300 4.751 4.350 0.168 0.000 0.284 157 T C 0.975 175.786 174.700 0.185 0.000 0.973 157 T CA -1.516 60.710 62.100 0.210 0.000 0.996 157 T CB 2.417 71.370 68.868 0.140 0.000 0.927 157 T HN -0.264 8.290 8.240 0.523 0.000 0.456 158 R N 6.094 126.700 120.500 0.177 0.000 2.105 158 R HA -0.459 4.210 4.340 0.550 0.000 0.239 158 R C 1.787 178.124 176.300 0.061 0.000 1.135 158 R CA 3.025 59.255 56.100 0.217 0.000 0.967 158 R CB -1.982 28.290 30.300 -0.046 0.000 0.861 158 R HN 0.681 9.036 8.270 0.141 0.000 0.442 159 A N -1.954 120.857 122.820 -0.015 0.000 1.883 159 A HA -0.128 4.351 4.320 -0.072 -0.203 0.217 159 A C 2.279 179.783 177.584 -0.133 0.000 1.186 159 A CA 2.775 54.774 52.037 -0.064 0.000 0.624 159 A CB -0.795 18.178 19.000 -0.045 0.000 0.822 159 A HN 0.235 8.377 8.150 0.003 0.009 0.444 160 M N -1.884 117.610 119.600 -0.178 0.000 2.159 160 M HA -0.314 3.998 4.480 -0.280 0.000 0.263 160 M C 2.224 178.086 176.300 -0.730 0.000 1.063 160 M CA 1.860 56.920 55.300 -0.401 0.000 1.110 160 M CB -0.749 31.630 32.600 -0.370 0.000 1.374 160 M HN -0.486 7.751 8.290 -0.088 0.000 0.411 161 A N -1.323 121.151 122.820 -0.577 0.000 1.933 161 A HA -0.333 3.574 4.320 -0.688 0.000 0.218 161 A C 2.300 179.744 177.584 -0.233 0.000 1.175 161 A CA 2.995 54.789 52.037 -0.405 0.000 0.628 161 A CB -0.933 18.089 19.000 0.037 0.000 0.814 161 A HN -0.190 7.657 8.150 -0.315 0.114 0.444 162 Q N -2.530 117.189 119.800 -0.135 0.000 2.170 162 Q HA -0.353 3.959 4.340 -0.047 0.000 0.203 162 Q C 2.485 178.347 176.000 -0.229 0.000 0.976 162 Q CA 3.184 58.918 55.803 -0.116 0.000 0.858 162 Q CB -0.156 28.529 28.738 -0.089 0.000 0.907 162 Q HN 0.130 8.221 8.270 -0.109 0.114 0.433 163 T N 0.945 115.294 114.554 -0.341 0.000 2.720 163 T HA -0.360 3.825 4.350 -0.275 0.000 0.268 163 T C 1.256 175.549 174.700 -0.678 0.000 1.037 163 T CA 3.960 65.806 62.100 -0.423 0.000 1.144 163 T CB -0.370 68.250 68.868 -0.414 0.000 0.864 163 T HN -0.741 7.164 8.240 -0.346 0.127 0.444 164 A N 0.569 122.808 122.820 -0.968 0.000 1.940 164 A HA -0.317 2.814 4.320 -1.981 0.000 0.219 164 A C 1.932 179.262 177.584 -0.423 0.000 1.176 164 A CA 3.193 54.578 52.037 -1.087 0.000 0.631 164 A CB -0.947 17.687 19.000 -0.610 0.000 0.814 164 A HN -0.543 7.002 8.150 -0.840 0.102 0.446 165 I N -3.079 117.342 120.570 -0.249 0.000 2.208 165 I HA -0.501 3.654 4.170 -0.026 0.000 0.245 165 I C 1.755 177.843 176.117 -0.049 0.000 1.097 165 I CA 3.787 65.031 61.300 -0.092 0.000 1.363 165 I CB -0.459 37.485 38.000 -0.093 0.000 1.051 165 I HN -0.818 7.113 8.210 -0.274 0.115 0.413 166 K N -1.415 118.919 120.400 -0.110 0.000 2.148 166 K HA -0.233 4.083 4.320 -0.008 0.000 0.204 166 K C 1.753 178.324 176.600 -0.049 0.000 1.050 166 K CA 2.204 58.455 56.287 -0.060 0.000 0.942 166 K CB -0.982 31.471 32.500 -0.078 0.000 0.724 166 K HN -0.690 7.365 8.250 -0.179 0.088 0.446 167 A N -2.542 120.220 122.820 -0.097 0.000 2.016 167 A HA -0.183 4.147 4.320 0.016 0.000 0.217 167 A C 0.774 178.357 177.584 -0.001 0.000 1.162 167 A CA 2.062 54.091 52.037 -0.014 0.000 0.662 167 A CB 0.244 19.299 19.000 0.090 0.000 0.812 167 A HN -0.202 7.689 8.150 -0.208 0.134 0.450 168 M N -4.540 115.050 119.600 -0.017 0.000 3.160 168 M HA 0.055 4.533 4.480 -0.004 0.000 0.222 168 M C 1.317 177.631 176.300 0.024 0.000 1.703 168 M CA 1.686 56.988 55.300 0.004 0.000 1.354 168 M CB 0.070 32.678 32.600 0.013 0.000 1.115 168 M HN -0.268 7.850 8.290 -0.043 0.147 0.594 169 H N 2.303 121.349 119.070 -0.040 0.000 2.394 169 H HA -0.187 4.588 4.556 -0.024 -0.233 0.297 169 H C 2.056 177.369 175.328 -0.026 0.000 1.113 169 H CA 3.693 59.724 56.048 -0.028 0.000 1.277 169 H CB 0.429 30.177 29.762 -0.023 0.000 1.370 169 H HN -0.308 8.057 8.280 0.142 0.000 0.506 170 Q N -2.090 117.747 119.800 0.061 0.000 2.735 170 Q HA 0.141 4.471 4.340 -0.017 0.000 0.380 170 Q C -1.586 174.407 176.000 -0.013 0.000 1.060 170 Q CA -0.914 54.897 55.803 0.014 0.000 1.025 170 Q CB -0.729 28.032 28.738 0.038 0.000 1.350 170 Q HN -0.463 7.845 8.270 0.085 0.013 0.424 171 A N -3.042 119.758 122.820 -0.033 0.000 1.547 171 A HA 0.122 4.428 4.320 -0.023 0.000 0.206 171 A C -1.452 176.109 177.584 -0.038 0.000 1.773 171 A CA 0.554 52.574 52.037 -0.027 0.000 1.530 171 A CB 1.394 20.386 19.000 -0.014 0.000 1.435 171 A HN -0.220 7.827 8.150 -0.058 0.068 0.420 172 Q N -3.193 116.579 119.800 -0.046 0.000 3.245 172 Q HA -0.374 3.986 4.340 -0.053 -0.052 0.024 172 Q C -0.361 175.620 176.000 -0.033 0.000 1.716 172 Q CA 0.787 56.560 55.803 -0.049 0.000 0.236 172 Q CB -0.968 27.733 28.738 -0.062 0.000 0.624 172 Q HN 0.158 8.401 8.270 -0.044 0.000 0.322 173 T N 2.452 116.988 114.554 -0.030 0.000 3.820 173 T HA -0.012 4.327 4.350 -0.019 0.000 0.224 173 T C -0.278 174.409 174.700 -0.021 0.000 0.869 173 T CA -1.121 60.966 62.100 -0.022 0.000 0.932 173 T CB -1.142 67.715 68.868 -0.019 0.000 1.259 173 T HN 0.379 8.598 8.240 -0.034 0.000 0.676 174 M N 4.888 124.475 119.600 -0.022 0.000 3.709 174 M HA -0.138 4.331 4.480 -0.020 0.000 0.197 174 M C -0.744 175.546 176.300 -0.016 0.000 1.511 174 M CA 1.176 56.464 55.300 -0.020 0.000 1.688 174 M CB -1.781 30.805 32.600 -0.022 0.000 1.109 174 M HN -0.147 8.031 8.290 -0.025 0.097 0.561 175 E N -1.488 118.703 120.200 -0.014 0.000 1.872 175 E HA 0.106 4.449 4.350 -0.011 0.000 0.230 175 E C 0.350 176.944 176.600 -0.010 0.000 1.070 175 E CA 0.305 56.698 56.400 -0.012 0.000 1.469 175 E CB 0.260 29.953 29.700 -0.012 0.000 4.011 175 E HN 0.185 8.465 8.360 -0.015 0.071 0.938 176 G N -0.043 108.750 108.800 -0.011 0.000 2.441 176 G HA2 -0.048 3.907 3.960 -0.008 0.000 0.212 176 G HA3 -0.048 3.907 3.960 -0.009 0.000 0.212 176 G C 0.396 175.291 174.900 -0.009 0.000 1.164 176 G CA 1.384 46.479 45.100 -0.009 0.000 0.811 176 G HN 0.196 8.479 8.290 -0.012 0.000 0.535 177 C N -0.720 118.574 119.300 -0.010 0.000 3.757 177 C HA 0.083 4.538 4.460 -0.009 0.000 0.358 177 C C -0.609 174.374 174.990 -0.012 0.000 1.484 177 C CA -0.363 58.648 59.018 -0.010 0.000 1.862 177 C CB 2.615 30.349 27.740 -0.011 0.000 2.654 177 C HN -0.552 7.671 8.230 -0.012 0.000 0.699 178 S N 1.262 116.954 115.700 -0.014 0.000 3.625 178 S HA -0.372 4.125 4.470 -0.016 -0.038 0.426 178 S C -1.744 172.845 174.600 -0.017 0.000 0.884 178 S CA 1.127 59.318 58.200 -0.015 0.000 1.322 178 S CB -1.470 61.723 63.200 -0.012 0.000 0.905 178 S HN -0.097 8.205 8.310 -0.014 0.000 0.586 179 S N -0.048 115.639 115.700 -0.022 0.000 2.535 179 S HA 0.390 4.845 4.470 -0.024 0.000 0.272 179 S C -2.833 171.745 174.600 -0.036 0.000 1.149 179 S CA -1.606 56.578 58.200 -0.026 0.000 0.888 179 S CB 2.192 65.378 63.200 -0.023 0.000 1.110 179 S HN -0.741 7.556 8.310 -0.023 0.000 0.463 180 P HA -0.027 4.485 4.420 -0.070 -0.134 0.267 180 P C -1.913 175.346 177.300 -0.068 0.000 1.200 180 P CA 0.104 63.166 63.100 -0.064 0.000 0.772 180 P CB 0.750 32.409 31.700 -0.070 0.000 0.855 181 M N 1.182 120.730 119.600 -0.087 0.000 2.321 181 M HA 0.276 4.718 4.480 -0.064 0.000 0.315 181 M C -1.715 174.532 176.300 -0.089 0.000 1.052 181 M CA -0.620 54.637 55.300 -0.072 0.000 0.936 181 M CB 3.713 36.284 32.600 -0.047 0.000 1.639 181 M HN 0.202 8.430 8.290 -0.105 0.000 0.433 182 V N 5.196 125.085 119.914 -0.042 0.000 2.487 182 V HA 0.393 4.595 4.120 0.136 0.000 0.298 182 V C -2.904 173.242 176.094 0.086 0.000 1.028 182 V CA -1.955 60.391 62.300 0.077 0.000 0.860 182 V CB 2.190 34.060 31.823 0.078 0.000 0.991 182 V HN 0.424 8.578 8.190 -0.060 0.000 0.427 183 V N 7.685 127.730 119.914 0.219 0.000 2.569 183 V HA 0.837 5.267 4.120 0.004 -0.307 0.301 183 V C -1.489 174.638 176.094 0.055 0.000 1.044 183 V CA -1.533 60.819 62.300 0.087 0.000 0.874 183 V CB 3.341 35.214 31.823 0.084 0.000 1.002 183 V HN 0.251 8.731 8.190 0.483 0.000 0.424 184 K N 4.284 124.724 120.400 0.068 0.000 2.527 184 K HA 0.361 4.679 4.320 -0.003 0.000 0.260 184 K C -1.408 175.266 176.600 0.122 0.000 0.937 184 K CA -1.954 54.364 56.287 0.053 0.000 0.826 184 K CB 3.595 36.115 32.500 0.032 0.000 1.359 184 K HN -0.091 8.219 8.250 0.101 0.000 0.434 185 F N 2.993 122.948 119.950 0.010 0.000 2.607 185 F HA -0.040 4.771 4.527 0.059 -0.248 0.374 185 F C 1.090 176.916 175.800 0.043 0.000 1.104 185 F CA 1.099 59.118 58.000 0.032 0.000 1.296 185 F CB 0.522 39.522 39.000 -0.001 0.000 1.085 185 F HN 0.319 8.770 8.300 0.251 0.000 0.584 186 A N 5.794 128.747 122.820 0.221 0.000 2.429 186 A HA -0.179 4.210 4.320 0.116 0.000 0.242 186 A C -1.577 176.139 177.584 0.220 0.000 1.088 186 A CA 0.548 52.693 52.037 0.181 0.000 0.784 186 A CB 0.830 19.909 19.000 0.132 0.000 1.038 186 A HN 0.178 8.203 8.150 -0.022 0.112 0.501 187 D N 0.000 120.467 120.400 0.111 0.000 6.856 187 D HA 0.000 4.698 4.640 0.096 0.000 0.175 187 D CA 0.000 54.046 54.000 0.077 0.000 0.868 187 D CB 0.000 40.828 40.800 0.046 0.000 0.688 187 D HN 0.000 8.411 8.370 0.068 0.000 0.683