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 2r8z_1_A DATA FIRST_RESID 8 DATA SEQUENCE LATCYGPVSA DVMAKAENIR LLILDVDGVL SDGLIYMGNN GEELKAFNVR DATA SEQUENCE DGYGIRCALT SDIEVAIITG RKAKLVEDRC ATLGITHLYQ GQSNKLIAFS DATA SEQUENCE DLLEKLAIAP ENVAYVGDDL IDWPVMEKVG LSVAVADAHP LLIPRADYVT DATA SEQUENCE RIAGGRGAVR EVCDLLLLAQ GKLDEAKGQS I 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 8 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 8 L C 0.000 176.885 176.870 0.025 0.000 1.165 8 L CA 0.000 54.850 54.840 0.016 0.000 0.813 8 L CB 0.000 42.066 42.059 0.011 0.000 0.961 9 A N 0.861 123.696 122.820 0.024 0.000 2.450 9 A HA 0.710 5.031 4.320 0.002 0.000 0.255 9 A C 0.471 178.077 177.584 0.036 0.000 1.096 9 A CA 0.555 52.610 52.037 0.031 0.000 0.778 9 A CB -0.185 18.827 19.000 0.021 0.000 1.031 9 A HN 2.589 10.739 8.150 -0.000 0.000 0.494 10 T N -1.572 113.016 114.554 0.057 0.000 2.916 10 T HA 0.340 4.691 4.350 0.002 0.000 0.292 10 T C 0.927 175.653 174.700 0.043 0.000 1.064 10 T CA -0.057 62.088 62.100 0.076 0.000 1.011 10 T CB 0.709 69.666 68.868 0.149 0.000 1.152 10 T HN 1.398 9.638 8.240 -0.000 0.000 0.510 11 C N -0.020 119.261 119.300 -0.032 0.000 2.485 11 C HA 0.231 4.692 4.460 0.002 0.000 0.283 11 C C 1.382 176.178 174.990 -0.324 0.000 1.478 11 C CA -0.246 58.650 59.018 -0.203 0.000 1.741 11 C CB -2.456 25.097 27.740 -0.311 0.000 1.675 11 C HN 0.809 9.039 8.230 -0.000 0.000 0.573 12 Y N 1.737 122.070 120.300 0.056 0.000 2.467 12 Y HA 0.489 5.040 4.550 0.002 0.000 0.250 12 Y C 1.524 177.468 175.900 0.073 0.000 1.155 12 Y CA 0.631 58.773 58.100 0.071 0.000 1.249 12 Y CB -0.022 38.503 38.460 0.109 0.000 1.146 12 Y HN 0.606 8.886 8.280 -0.000 0.000 0.524 13 G N 0.081 108.986 108.800 0.174 0.000 2.440 13 G HA2 -0.047 3.915 3.960 0.002 0.000 0.684 13 G HA3 -0.047 3.915 3.960 0.002 0.000 0.684 13 G C -3.192 171.788 174.900 0.133 0.000 1.309 13 G CA -1.614 43.564 45.100 0.130 0.000 0.931 13 G HN -0.197 8.093 8.290 -0.000 0.000 0.612 14 P HA 0.436 4.856 4.420 -0.000 0.000 0.269 14 P C 0.301 177.670 177.300 0.115 0.000 1.209 14 P CA -0.041 63.111 63.100 0.086 0.000 0.776 14 P CB 1.185 32.924 31.700 0.065 0.000 0.876 15 V N -0.578 119.388 119.914 0.085 0.000 3.001 15 V HA 0.740 4.861 4.120 0.002 0.000 0.314 15 V C 0.024 176.149 176.094 0.052 0.000 1.099 15 V CA -1.046 61.303 62.300 0.083 0.000 0.989 15 V CB 1.619 33.435 31.823 -0.011 0.000 1.040 15 V HN 0.603 8.793 8.190 -0.000 0.000 0.434 16 S N 2.151 117.887 115.700 0.060 0.000 2.593 16 S HA 0.560 5.031 4.470 0.002 0.000 0.269 16 S C 1.373 175.987 174.600 0.023 0.000 1.334 16 S CA 0.094 58.321 58.200 0.044 0.000 1.015 16 S CB 1.207 64.440 63.200 0.054 0.000 0.912 16 S HN 1.966 10.276 8.310 -0.000 0.000 0.541 17 A N 0.996 123.828 122.820 0.020 0.000 1.933 17 A HA -0.094 4.227 4.320 0.002 0.000 0.218 17 A C 1.803 179.394 177.584 0.012 0.000 1.175 17 A CA 1.933 53.977 52.037 0.013 0.000 0.628 17 A CB -1.313 17.695 19.000 0.014 0.000 0.814 17 A HN 0.985 9.135 8.150 -0.000 0.000 0.444 18 D N -0.534 119.878 120.400 0.020 0.000 2.097 18 D HA -0.125 4.516 4.640 0.002 0.000 0.195 18 D C 1.822 178.132 176.300 0.018 0.000 0.989 18 D CA 1.579 55.592 54.000 0.022 0.000 0.827 18 D CB -0.119 40.700 40.800 0.033 0.000 0.966 18 D HN 0.128 8.498 8.370 -0.000 0.000 0.456 19 V N 0.217 120.141 119.914 0.018 0.000 2.295 19 V HA -0.248 3.873 4.120 0.002 0.000 0.246 19 V C 2.465 178.531 176.094 -0.047 0.000 1.049 19 V CA 1.853 64.148 62.300 -0.007 0.000 1.024 19 V CB -0.510 31.305 31.823 -0.013 0.000 0.648 19 V HN 0.287 8.477 8.190 -0.000 0.000 0.447 20 M N 0.427 120.001 119.600 -0.044 0.000 2.117 20 M HA -0.097 4.384 4.480 0.002 0.000 0.262 20 M C 2.026 178.312 176.300 -0.024 0.000 1.065 20 M CA 2.159 57.433 55.300 -0.043 0.000 1.114 20 M CB -0.630 31.953 32.600 -0.028 0.000 1.361 20 M HN 0.280 8.570 8.290 -0.000 0.000 0.408 21 A N -0.424 122.390 122.820 -0.010 0.000 1.898 21 A HA -0.182 4.139 4.320 0.002 0.000 0.216 21 A C 2.148 179.732 177.584 -0.001 0.000 1.181 21 A CA 1.855 53.890 52.037 -0.002 0.000 0.620 21 A CB -0.590 18.413 19.000 0.005 0.000 0.819 21 A HN 0.558 8.708 8.150 -0.000 0.000 0.442 22 K N -0.266 120.135 120.400 0.001 0.000 2.002 22 K HA -0.080 4.242 4.320 0.002 0.000 0.209 22 K C 2.311 178.910 176.600 -0.001 0.000 1.048 22 K CA 1.212 57.503 56.287 0.007 0.000 0.930 22 K CB -0.367 32.143 32.500 0.018 0.000 0.714 22 K HN 0.421 8.671 8.250 -0.000 0.000 0.438 23 A N 1.606 124.415 122.820 -0.019 0.000 1.978 23 A HA -0.229 4.092 4.320 0.002 0.000 0.220 23 A C 2.085 179.660 177.584 -0.015 0.000 1.170 23 A CA 1.533 53.553 52.037 -0.027 0.000 0.636 23 A CB -0.401 18.561 19.000 -0.063 0.000 0.810 23 A HN 0.278 8.428 8.150 -0.000 0.000 0.448 24 E N 0.487 120.680 120.200 -0.012 0.000 2.153 24 E HA -0.160 4.191 4.350 0.002 0.000 0.194 24 E C 0.737 177.336 176.600 -0.001 0.000 0.988 24 E CA 0.959 57.356 56.400 -0.006 0.000 0.811 24 E CB -0.225 29.473 29.700 -0.005 0.000 0.746 24 E HN 0.613 8.973 8.360 -0.000 0.000 0.466 25 N N 0.508 119.209 118.700 0.002 0.000 2.322 25 N HA 0.027 4.768 4.740 0.002 0.000 0.194 25 N C -0.004 175.510 175.510 0.007 0.000 1.126 25 N CA 0.005 53.057 53.050 0.005 0.000 0.845 25 N CB 0.624 39.115 38.487 0.007 0.000 0.976 25 N HN 0.104 8.484 8.380 -0.000 0.000 0.475 26 I N 1.490 122.064 120.570 0.007 0.000 2.396 26 I HA 0.110 4.282 4.170 0.002 0.000 0.289 26 I C 1.409 177.530 176.117 0.007 0.000 1.056 26 I CA 0.177 61.484 61.300 0.012 0.000 1.365 26 I CB 1.052 39.060 38.000 0.013 0.000 1.407 26 I HN -0.104 8.106 8.210 -0.000 0.000 0.509 27 R N 4.321 124.825 120.500 0.006 0.000 2.344 27 R HA 0.284 4.625 4.340 0.002 0.000 0.209 27 R C -0.366 175.931 176.300 -0.004 0.000 0.886 27 R CA -0.105 55.994 56.100 -0.001 0.000 1.040 27 R CB 0.664 30.961 30.300 -0.006 0.000 1.114 27 R HN 0.429 8.699 8.270 -0.000 0.000 0.547 28 L N 1.041 122.266 121.223 0.004 0.000 2.438 28 L HA 0.458 4.799 4.340 0.002 0.000 0.270 28 L C -1.659 175.225 176.870 0.023 0.000 0.972 28 L CA -1.030 53.812 54.840 0.002 0.000 0.831 28 L CB 1.899 43.952 42.059 -0.011 0.000 1.273 28 L HN -0.153 8.077 8.230 -0.000 0.000 0.405 29 L N 6.360 127.591 121.223 0.013 0.000 2.280 29 L HA 0.653 4.994 4.340 0.002 0.000 0.287 29 L C -1.080 175.784 176.870 -0.012 0.000 1.023 29 L CA 0.008 54.852 54.840 0.006 0.000 0.819 29 L CB 0.926 42.983 42.059 -0.002 0.000 1.212 29 L HN 0.582 8.812 8.230 -0.000 0.000 0.420 30 I N 6.131 126.678 120.570 -0.039 0.000 2.377 30 I HA 0.408 4.580 4.170 0.002 0.000 0.293 30 I C -0.719 175.156 176.117 -0.404 0.000 0.987 30 I CA -0.571 60.654 61.300 -0.125 0.000 1.185 30 I CB 1.445 39.455 38.000 0.016 0.000 1.341 30 I HN 0.477 8.687 8.210 -0.000 0.000 0.455 31 L N 4.636 125.670 121.223 -0.316 0.000 2.365 31 L HA 0.468 4.810 4.340 0.002 0.000 0.273 31 L C -0.404 176.314 176.870 -0.253 0.000 1.000 31 L CA -0.829 53.824 54.840 -0.311 0.000 0.819 31 L CB 1.894 43.888 42.059 -0.110 0.000 1.284 31 L HN 0.492 8.722 8.230 -0.000 0.000 0.418 32 D N 1.041 121.295 120.400 -0.243 0.000 2.357 32 D HA 0.220 4.861 4.640 0.002 0.000 0.242 32 D C 0.368 176.690 176.300 0.037 0.000 1.153 32 D CA -0.179 53.810 54.000 -0.018 0.000 0.918 32 D CB 1.902 42.740 40.800 0.065 0.000 1.181 32 D HN 0.181 8.551 8.370 -0.000 0.000 0.435 33 V N 1.041 121.007 119.914 0.086 0.000 2.502 33 V HA 0.028 4.150 4.120 0.002 0.000 0.234 33 V C 0.317 176.464 176.094 0.087 0.000 1.072 33 V CA 0.534 62.908 62.300 0.124 0.000 1.094 33 V CB -0.347 31.579 31.823 0.171 0.000 0.761 33 V HN 0.569 8.759 8.190 -0.000 0.000 0.489 34 D N 1.048 121.487 120.400 0.066 0.000 2.382 34 D HA 0.355 4.996 4.640 0.002 0.000 0.259 34 D C 1.108 177.429 176.300 0.035 0.000 1.224 34 D CA 1.386 55.405 54.000 0.031 0.000 0.894 34 D CB 0.923 41.738 40.800 0.026 0.000 1.127 34 D HN 0.590 8.960 8.370 -0.000 0.000 0.487 35 G N 1.282 110.094 108.800 0.021 0.000 2.175 35 G HA2 -0.290 3.671 3.960 0.002 0.000 0.244 35 G HA3 -0.290 3.671 3.960 0.002 0.000 0.244 35 G C 0.811 175.732 174.900 0.035 0.000 0.982 35 G CA 0.276 45.392 45.100 0.026 0.000 0.641 35 G HN 0.475 8.765 8.290 -0.000 0.000 0.527 36 V N -0.069 119.871 119.914 0.043 0.000 3.001 36 V HA 0.339 4.461 4.120 0.002 0.000 0.228 36 V C 2.403 178.532 176.094 0.058 0.000 1.204 36 V CA 1.201 63.528 62.300 0.044 0.000 1.247 36 V CB -0.220 31.625 31.823 0.036 0.000 1.093 36 V HN 0.196 8.386 8.190 -0.000 0.000 0.504 37 L N 1.136 122.413 121.223 0.090 0.000 2.395 37 L HA 0.109 4.450 4.340 0.002 0.000 0.218 37 L C 1.132 178.070 176.870 0.114 0.000 1.130 37 L CA 0.831 55.767 54.840 0.159 0.000 0.826 37 L CB -0.072 42.160 42.059 0.288 0.000 0.941 37 L HN 0.516 8.746 8.230 -0.000 0.000 0.451 38 S N -2.229 113.481 115.700 0.018 0.000 2.715 38 S HA 0.224 4.695 4.470 0.002 0.000 0.307 38 S C 0.171 174.761 174.600 -0.018 0.000 1.119 38 S CA -0.530 57.632 58.200 -0.064 0.000 0.937 38 S CB 1.540 64.638 63.200 -0.169 0.000 1.150 38 S HN 0.189 8.499 8.310 -0.000 0.000 0.521 39 D N -1.048 119.341 120.400 -0.018 0.000 2.325 39 D HA 0.228 4.869 4.640 0.002 0.000 0.234 39 D C 1.297 177.589 176.300 -0.013 0.000 1.122 39 D CA 0.532 54.530 54.000 -0.003 0.000 0.850 39 D CB -0.596 40.209 40.800 0.008 0.000 0.921 39 D HN 1.322 9.692 8.370 -0.000 0.000 0.513 40 G N 0.016 108.803 108.800 -0.022 0.000 2.175 40 G HA2 -0.239 3.722 3.960 0.002 0.000 0.244 40 G HA3 -0.239 3.722 3.960 0.002 0.000 0.244 40 G C 0.039 174.906 174.900 -0.054 0.000 0.982 40 G CA 0.179 45.264 45.100 -0.025 0.000 0.641 40 G HN 0.401 8.691 8.290 -0.000 0.000 0.527 41 L N 1.241 122.417 121.223 -0.078 0.000 2.357 41 L HA 0.629 4.971 4.340 0.002 0.000 0.273 41 L C 0.306 177.078 176.870 -0.164 0.000 1.080 41 L CA -1.059 53.680 54.840 -0.168 0.000 0.803 41 L CB 1.209 43.107 42.059 -0.267 0.000 1.174 41 L HN -0.049 8.181 8.230 -0.000 0.000 0.443 42 I N 2.621 123.060 120.570 -0.220 0.000 2.382 42 I HA 0.255 4.426 4.170 0.002 0.000 0.286 42 I C -0.634 175.354 176.117 -0.214 0.000 1.002 42 I CA -0.523 60.703 61.300 -0.124 0.000 1.135 42 I CB 1.264 39.224 38.000 -0.066 0.000 1.288 42 I HN 0.386 8.596 8.210 -0.000 0.000 0.448 43 Y N 6.543 126.825 120.300 -0.030 0.000 2.327 43 Y HA 0.507 5.058 4.550 0.002 0.000 0.336 43 Y C 0.384 176.278 175.900 -0.011 0.000 1.035 43 Y CA -0.222 57.866 58.100 -0.020 0.000 1.165 43 Y CB 1.274 39.721 38.460 -0.023 0.000 1.181 43 Y HN 0.405 8.685 8.280 -0.000 0.000 0.494 44 M N 2.821 122.480 119.600 0.098 0.000 2.395 44 M HA 0.580 5.061 4.480 0.002 0.000 0.307 44 M C 0.154 176.490 176.300 0.060 0.000 1.091 44 M CA -0.546 54.792 55.300 0.062 0.000 0.919 44 M CB 2.305 34.919 32.600 0.024 0.000 1.662 44 M HN 0.799 9.089 8.290 -0.000 0.000 0.440 45 G N 0.576 109.406 108.800 0.051 0.000 2.597 45 G HA2 0.346 4.308 3.960 0.002 0.000 0.317 45 G HA3 0.346 4.308 3.960 0.002 0.000 0.317 45 G C 0.154 175.071 174.900 0.028 0.000 1.230 45 G CA -0.581 44.544 45.100 0.041 0.000 0.996 45 G HN 0.718 9.008 8.290 -0.000 0.000 0.490 46 N N 0.084 118.798 118.700 0.023 0.000 2.396 46 N HA -0.074 4.667 4.740 0.002 0.000 0.180 46 N C 1.079 176.598 175.510 0.016 0.000 1.028 46 N CA 0.498 53.559 53.050 0.017 0.000 0.893 46 N CB 0.195 38.691 38.487 0.015 0.000 0.967 46 N HN 0.382 8.762 8.380 -0.000 0.000 0.440 47 N N -0.062 118.648 118.700 0.018 0.000 2.276 47 N HA 0.112 4.853 4.740 0.002 0.000 0.212 47 N C 0.800 176.321 175.510 0.018 0.000 1.127 47 N CA 0.361 53.420 53.050 0.016 0.000 0.834 47 N CB 0.747 39.243 38.487 0.014 0.000 1.014 47 N HN 0.246 8.626 8.380 -0.000 0.000 0.491 48 G N 1.021 109.833 108.800 0.020 0.000 2.159 48 G HA2 -0.291 3.670 3.960 0.002 0.000 0.256 48 G HA3 -0.291 3.670 3.960 0.002 0.000 0.256 48 G C -0.178 174.738 174.900 0.027 0.000 0.977 48 G CA -0.050 45.063 45.100 0.022 0.000 0.652 48 G HN 0.391 8.681 8.290 -0.000 0.000 0.531 49 E N 0.615 120.833 120.200 0.029 0.000 2.442 49 E HA 0.442 4.793 4.350 0.002 0.000 0.262 49 E C 0.392 177.020 176.600 0.047 0.000 1.004 49 E CA 0.619 57.040 56.400 0.035 0.000 0.928 49 E CB 0.718 30.438 29.700 0.033 0.000 0.937 49 E HN 0.523 8.883 8.360 -0.000 0.000 0.446 50 E N 2.703 122.934 120.200 0.052 0.000 2.275 50 E HA 0.383 4.734 4.350 0.002 0.000 0.270 50 E C -1.423 175.221 176.600 0.074 0.000 0.882 50 E CA -0.532 55.909 56.400 0.069 0.000 0.758 50 E CB 0.861 30.596 29.700 0.059 0.000 1.195 50 E HN 0.385 8.745 8.360 -0.000 0.000 0.419 51 L N 3.229 124.515 121.223 0.105 0.000 2.341 51 L HA 0.640 4.981 4.340 0.002 0.000 0.267 51 L C -0.351 176.584 176.870 0.109 0.000 1.009 51 L CA -0.879 54.003 54.840 0.070 0.000 0.819 51 L CB 2.146 44.186 42.059 -0.031 0.000 1.323 51 L HN 0.416 8.646 8.230 -0.000 0.000 0.425 52 K N 1.031 121.435 120.400 0.006 0.000 2.469 52 K HA 0.803 5.125 4.320 0.002 0.000 0.254 52 K C -1.529 174.890 176.600 -0.302 0.000 0.939 52 K CA -0.616 55.595 56.287 -0.127 0.000 0.812 52 K CB 2.458 34.797 32.500 -0.268 0.000 1.301 52 K HN 0.680 8.930 8.250 -0.000 0.000 0.433 53 A N 3.485 126.105 122.820 -0.333 0.000 2.288 53 A HA 0.688 5.009 4.320 0.002 0.000 0.320 53 A C -1.252 176.071 177.584 -0.435 0.000 1.217 53 A CA -0.528 51.345 52.037 -0.273 0.000 0.840 53 A CB 0.072 19.012 19.000 -0.099 0.000 1.179 53 A HN 0.543 8.693 8.150 -0.000 0.000 0.504 54 F N 0.601 120.570 119.950 0.032 0.000 2.541 54 F HA 0.469 4.997 4.527 0.002 0.000 0.331 54 F C 0.525 176.344 175.800 0.032 0.000 1.057 54 F CA -0.669 57.351 58.000 0.034 0.000 0.975 54 F CB 1.986 41.003 39.000 0.029 0.000 1.246 54 F HN 0.651 8.951 8.300 -0.000 0.000 0.484 55 N N -0.067 118.775 118.700 0.237 0.000 2.424 55 N HA 0.342 5.084 4.740 0.002 0.000 0.271 55 N C 0.661 176.252 175.510 0.134 0.000 0.985 55 N CA -0.570 52.566 53.050 0.143 0.000 0.921 55 N CB 1.614 40.169 38.487 0.112 0.000 1.149 55 N HN 0.529 8.909 8.380 -0.000 0.000 0.492 56 V N 2.309 122.287 119.914 0.107 0.000 2.407 56 V HA -0.159 3.963 4.120 0.002 0.000 0.248 56 V C 2.015 178.178 176.094 0.114 0.000 1.055 56 V CA 1.388 63.747 62.300 0.098 0.000 1.049 56 V CB -0.574 31.294 31.823 0.075 0.000 0.662 56 V HN 0.644 8.834 8.190 -0.000 0.000 0.455 57 R N 0.233 120.794 120.500 0.102 0.000 2.148 57 R HA -0.096 4.245 4.340 0.002 0.000 0.227 57 R C 2.098 178.491 176.300 0.155 0.000 1.103 57 R CA 1.609 57.780 56.100 0.117 0.000 0.983 57 R CB -0.402 29.945 30.300 0.078 0.000 0.874 57 R HN 0.579 8.849 8.270 -0.000 0.000 0.451 58 D N -0.532 119.945 120.400 0.129 0.000 2.117 58 D HA -0.114 4.527 4.640 0.002 0.000 0.197 58 D C 1.831 178.194 176.300 0.106 0.000 0.987 58 D CA 1.556 55.625 54.000 0.116 0.000 0.829 58 D CB -0.511 40.355 40.800 0.110 0.000 0.961 58 D HN 0.370 8.740 8.370 -0.000 0.000 0.460 59 G N -0.355 108.507 108.800 0.104 0.000 2.440 59 G HA2 -0.323 3.638 3.960 0.002 0.000 0.218 59 G HA3 -0.323 3.638 3.960 0.002 0.000 0.218 59 G C 1.631 176.582 174.900 0.085 0.000 1.154 59 G CA 0.758 45.900 45.100 0.070 0.000 0.767 59 G HN 0.313 8.603 8.290 -0.000 0.000 0.552 60 Y N 1.828 122.142 120.300 0.024 0.000 2.145 60 Y HA -0.061 4.490 4.550 0.002 0.000 0.286 60 Y C 2.825 178.741 175.900 0.026 0.000 1.145 60 Y CA 1.771 59.885 58.100 0.023 0.000 1.148 60 Y CB -0.483 37.994 38.460 0.029 0.000 0.981 60 Y HN 0.142 8.422 8.280 -0.000 0.000 0.507 61 G N 0.403 109.304 108.800 0.169 0.000 2.446 61 G HA2 -0.287 3.674 3.960 0.002 0.000 0.217 61 G HA3 -0.287 3.674 3.960 0.002 0.000 0.217 61 G C 1.708 176.602 174.900 -0.010 0.000 1.168 61 G CA 1.454 46.605 45.100 0.085 0.000 0.771 61 G HN 0.504 8.794 8.290 -0.000 0.000 0.551 62 I N 0.072 120.639 120.570 -0.005 0.000 2.179 62 I HA -0.152 4.019 4.170 0.002 0.000 0.242 62 I C 3.010 179.089 176.117 -0.063 0.000 1.088 62 I CA 0.804 62.089 61.300 -0.025 0.000 1.357 62 I CB -0.141 37.850 38.000 -0.015 0.000 1.051 62 I HN 0.005 8.216 8.210 -0.000 0.000 0.409 63 R N 0.264 120.702 120.500 -0.104 0.000 2.091 63 R HA -0.155 4.186 4.340 0.002 0.000 0.238 63 R C 2.375 178.568 176.300 -0.177 0.000 1.136 63 R CA 1.477 57.490 56.100 -0.144 0.000 0.959 63 R CB -1.490 28.700 30.300 -0.183 0.000 0.856 63 R HN 0.419 8.689 8.270 -0.000 0.000 0.437 64 C N 0.324 119.472 119.300 -0.252 0.000 2.413 64 C HA -0.108 4.353 4.460 0.002 0.000 0.276 64 C C 2.911 177.846 174.990 -0.093 0.000 1.236 64 C CA 0.821 59.721 59.018 -0.198 0.000 1.735 64 C CB -1.171 26.452 27.740 -0.194 0.000 2.031 64 C HN 0.574 8.804 8.230 -0.000 0.000 0.474 65 A N 0.274 123.056 122.820 -0.064 0.000 1.851 65 A HA -0.143 4.178 4.320 0.002 0.000 0.216 65 A C 2.105 179.671 177.584 -0.030 0.000 1.195 65 A CA 1.644 53.662 52.037 -0.032 0.000 0.622 65 A CB -0.772 18.217 19.000 -0.017 0.000 0.831 65 A HN 0.598 8.748 8.150 -0.000 0.000 0.444 66 L N -1.056 120.146 121.223 -0.035 0.000 2.127 66 L HA -0.137 4.204 4.340 0.002 0.000 0.211 66 L C 2.575 179.428 176.870 -0.028 0.000 1.089 66 L CA 1.710 56.536 54.840 -0.024 0.000 0.757 66 L CB -0.378 41.665 42.059 -0.026 0.000 0.899 66 L HN 0.465 8.695 8.230 -0.000 0.000 0.434 67 T N -2.280 112.248 114.554 -0.045 0.000 3.107 67 T HA 0.065 4.416 4.350 0.002 0.000 0.249 67 T C 1.077 175.758 174.700 -0.032 0.000 1.096 67 T CA 0.298 62.373 62.100 -0.041 0.000 1.012 67 T CB 0.037 68.871 68.868 -0.057 0.000 0.977 67 T HN 0.143 8.383 8.240 -0.000 0.000 0.527 68 S N 1.153 116.836 115.700 -0.028 0.000 2.711 68 S HA 0.234 4.705 4.470 0.002 0.000 0.247 68 S C 0.073 174.666 174.600 -0.011 0.000 1.079 68 S CA -0.424 57.765 58.200 -0.019 0.000 1.050 68 S CB 0.034 63.222 63.200 -0.019 0.000 0.885 68 S HN 0.598 8.908 8.310 -0.000 0.000 0.498 69 D N 1.157 121.551 120.400 -0.010 0.000 2.837 69 D HA -0.159 4.483 4.640 0.002 0.000 0.230 69 D C -0.722 175.576 176.300 -0.004 0.000 1.152 69 D CA 0.678 54.675 54.000 -0.005 0.000 0.736 69 D CB -1.000 39.798 40.800 -0.004 0.000 1.084 69 D HN 0.481 8.851 8.370 -0.000 0.000 0.429 70 I N 0.740 121.307 120.570 -0.005 0.000 2.382 70 I HA 0.255 4.427 4.170 0.002 0.000 0.285 70 I C 0.459 176.576 176.117 0.000 0.000 1.007 70 I CA -0.942 60.356 61.300 -0.003 0.000 1.142 70 I CB 1.597 39.595 38.000 -0.003 0.000 1.289 70 I HN -0.057 8.153 8.210 -0.000 0.000 0.453 71 E N 5.226 125.426 120.200 0.000 0.000 2.383 71 E HA 0.334 4.686 4.350 0.002 0.000 0.264 71 E C -1.163 175.443 176.600 0.011 0.000 1.050 71 E CA -0.043 56.363 56.400 0.009 0.000 0.896 71 E CB 1.123 30.811 29.700 -0.021 0.000 0.982 71 E HN 0.299 8.659 8.360 -0.000 0.000 0.424 72 V N 2.856 122.793 119.914 0.038 0.000 2.540 72 V HA 0.807 4.928 4.120 0.002 0.000 0.302 72 V C -0.289 175.851 176.094 0.077 0.000 1.035 72 V CA -0.434 61.888 62.300 0.036 0.000 0.873 72 V CB 1.288 33.123 31.823 0.020 0.000 0.992 72 V HN 0.808 8.998 8.190 -0.000 0.000 0.428 73 A N 5.278 128.138 122.820 0.067 0.000 2.469 73 A HA 0.956 5.277 4.320 0.002 0.000 0.299 73 A C -1.159 176.486 177.584 0.101 0.000 1.098 73 A CA -0.619 51.498 52.037 0.133 0.000 0.737 73 A CB 1.538 20.636 19.000 0.163 0.000 1.312 73 A HN 0.726 8.876 8.150 -0.000 0.000 0.414 74 I N 1.359 122.022 120.570 0.155 0.000 2.436 74 I HA 0.425 4.596 4.170 0.002 0.000 0.289 74 I C -1.139 175.112 176.117 0.224 0.000 1.010 74 I CA -0.296 61.078 61.300 0.123 0.000 1.098 74 I CB 1.829 39.881 38.000 0.086 0.000 1.266 74 I HN 0.478 8.688 8.210 -0.000 0.000 0.434 75 I N 5.103 125.779 120.570 0.177 0.000 2.411 75 I HA 0.331 4.502 4.170 0.002 0.000 0.284 75 I C -0.263 175.959 176.117 0.175 0.000 1.012 75 I CA -0.245 61.187 61.300 0.220 0.000 1.119 75 I CB 2.012 40.140 38.000 0.213 0.000 1.261 75 I HN 0.449 8.659 8.210 -0.000 0.000 0.448 76 T N 3.008 117.661 114.554 0.165 0.000 2.876 76 T HA 0.463 4.814 4.350 0.002 0.000 0.289 76 T C 1.009 175.777 174.700 0.114 0.000 1.014 76 T CA -0.284 61.895 62.100 0.132 0.000 0.986 76 T CB 1.747 70.689 68.868 0.122 0.000 1.021 76 T HN 0.715 8.955 8.240 -0.000 0.000 0.458 77 G N 3.044 111.900 108.800 0.093 0.000 2.511 77 G HA2 0.081 4.042 3.960 0.002 0.000 0.217 77 G HA3 0.081 4.042 3.960 0.002 0.000 0.217 77 G C 0.783 175.721 174.900 0.065 0.000 1.133 77 G CA 0.233 45.377 45.100 0.073 0.000 0.792 77 G HN 0.618 8.908 8.290 -0.000 0.000 0.539 78 R N -0.534 120.007 120.500 0.068 0.000 2.549 78 R HA 0.612 4.953 4.340 0.002 0.000 0.259 78 R C -0.538 175.803 176.300 0.068 0.000 1.095 78 R CA -0.517 55.619 56.100 0.060 0.000 1.148 78 R CB 0.864 31.197 30.300 0.055 0.000 1.181 78 R HN 0.014 8.284 8.270 -0.000 0.000 0.571 79 K N 0.319 120.754 120.400 0.060 0.000 2.565 79 K HA 0.563 4.885 4.320 0.002 0.000 0.249 79 K C -2.101 174.533 176.600 0.056 0.000 0.958 79 K CA -0.424 55.898 56.287 0.059 0.000 0.806 79 K CB 1.948 34.478 32.500 0.051 0.000 1.194 79 K HN 0.697 8.947 8.250 -0.000 0.000 0.434 80 A N 3.439 126.297 122.820 0.064 0.000 2.517 80 A HA 0.278 4.599 4.320 0.002 0.000 0.297 80 A C -0.034 177.587 177.584 0.062 0.000 1.050 80 A CA -0.694 51.382 52.037 0.065 0.000 0.694 80 A CB 1.703 20.752 19.000 0.082 0.000 1.277 80 A HN 0.781 8.931 8.150 -0.000 0.000 0.400 81 K N 1.618 122.047 120.400 0.049 0.000 2.113 81 K HA -0.195 4.126 4.320 0.002 0.000 0.208 81 K C 1.690 178.319 176.600 0.048 0.000 1.047 81 K CA 2.675 58.984 56.287 0.038 0.000 0.928 81 K CB -0.754 31.763 32.500 0.029 0.000 0.716 81 K HN 1.025 9.275 8.250 -0.000 0.000 0.446 82 L N -1.726 119.543 121.223 0.077 0.000 2.127 82 L HA -0.084 4.257 4.340 0.002 0.000 0.211 82 L C 1.835 178.782 176.870 0.128 0.000 1.089 82 L CA 1.499 56.407 54.840 0.113 0.000 0.757 82 L CB -0.966 41.188 42.059 0.158 0.000 0.899 82 L HN -0.074 8.156 8.230 -0.000 0.000 0.434 83 V N 0.320 120.314 119.914 0.134 0.000 2.453 83 V HA -0.169 3.953 4.120 0.002 0.000 0.247 83 V C 2.643 178.734 176.094 -0.004 0.000 1.048 83 V CA 1.863 64.228 62.300 0.109 0.000 1.049 83 V CB -0.675 31.238 31.823 0.150 0.000 0.672 83 V HN 0.534 8.724 8.190 -0.000 0.000 0.457 84 E N 0.234 120.436 120.200 0.003 0.000 2.058 84 E HA -0.261 4.091 4.350 0.002 0.000 0.194 84 E C 1.936 178.506 176.600 -0.050 0.000 0.997 84 E CA 1.636 58.019 56.400 -0.028 0.000 0.801 84 E CB -0.269 29.420 29.700 -0.019 0.000 0.746 84 E HN 0.586 8.946 8.360 -0.000 0.000 0.450 85 D N 0.362 120.741 120.400 -0.035 0.000 2.104 85 D HA -0.169 4.472 4.640 0.002 0.000 0.194 85 D C 1.960 178.200 176.300 -0.099 0.000 0.994 85 D CA 1.022 54.995 54.000 -0.046 0.000 0.830 85 D CB -0.247 40.545 40.800 -0.013 0.000 0.959 85 D HN -0.050 8.320 8.370 -0.000 0.000 0.452 86 R N 0.717 121.113 120.500 -0.173 0.000 2.083 86 R HA -0.096 4.245 4.340 0.002 0.000 0.237 86 R C 2.216 178.357 176.300 -0.264 0.000 1.137 86 R CA 1.417 57.306 56.100 -0.352 0.000 0.951 86 R CB -1.081 28.698 30.300 -0.867 0.000 0.851 86 R HN 0.210 8.480 8.270 -0.000 0.000 0.434 87 C N -0.259 118.923 119.300 -0.197 0.000 2.425 87 C HA 0.041 4.502 4.460 0.002 0.000 0.277 87 C C 2.769 177.697 174.990 -0.104 0.000 1.280 87 C CA 0.710 59.648 59.018 -0.134 0.000 1.744 87 C CB -1.296 26.387 27.740 -0.095 0.000 1.989 87 C HN 0.676 8.906 8.230 -0.000 0.000 0.491 88 A N 1.185 123.949 122.820 -0.093 0.000 1.902 88 A HA -0.212 4.109 4.320 0.002 0.000 0.217 88 A C 2.303 179.845 177.584 -0.069 0.000 1.181 88 A CA 2.665 54.658 52.037 -0.073 0.000 0.623 88 A CB -1.257 17.706 19.000 -0.061 0.000 0.818 88 A HN 0.683 8.833 8.150 -0.000 0.000 0.443 89 T N -1.761 112.746 114.554 -0.079 0.000 2.833 89 T HA -0.023 4.328 4.350 0.002 0.000 0.269 89 T C 1.547 176.208 174.700 -0.065 0.000 1.054 89 T CA 1.527 63.588 62.100 -0.066 0.000 1.135 89 T CB -0.405 68.422 68.868 -0.068 0.000 0.869 89 T HN 0.298 8.538 8.240 -0.000 0.000 0.466 90 L N 0.378 121.552 121.223 -0.082 0.000 2.567 90 L HA 0.390 4.731 4.340 0.002 0.000 0.225 90 L C 1.983 178.818 176.870 -0.058 0.000 1.119 90 L CA 0.321 55.118 54.840 -0.071 0.000 0.871 90 L CB -0.415 41.591 42.059 -0.087 0.000 1.036 90 L HN 0.581 8.811 8.230 -0.000 0.000 0.459 91 G N 1.374 110.139 108.800 -0.058 0.000 2.160 91 G HA2 -0.291 3.670 3.960 0.002 0.000 0.251 91 G HA3 -0.291 3.670 3.960 0.002 0.000 0.251 91 G C 0.184 175.057 174.900 -0.046 0.000 1.008 91 G CA -0.140 44.930 45.100 -0.051 0.000 0.724 91 G HN 0.310 8.600 8.290 -0.000 0.000 0.514 92 I N 1.487 122.027 120.570 -0.050 0.000 2.396 92 I HA 0.276 4.448 4.170 0.002 0.000 0.289 92 I C 1.734 177.810 176.117 -0.067 0.000 1.056 92 I CA 0.648 61.928 61.300 -0.032 0.000 1.365 92 I CB 1.183 39.166 38.000 -0.028 0.000 1.407 92 I HN 0.268 8.478 8.210 -0.000 0.000 0.509 93 T N 0.251 114.748 114.554 -0.096 0.000 3.023 93 T HA 0.164 4.515 4.350 0.002 0.000 0.253 93 T C 0.359 174.819 174.700 -0.400 0.000 1.038 93 T CA -0.001 61.953 62.100 -0.243 0.000 0.962 93 T CB -0.228 68.458 68.868 -0.304 0.000 1.018 93 T HN 0.502 8.742 8.240 -0.000 0.000 0.521 94 H N 0.991 120.026 119.070 -0.058 0.000 2.691 94 H HA 0.666 5.224 4.556 0.002 0.000 0.281 94 H C -1.185 174.091 175.328 -0.086 0.000 1.121 94 H CA -0.767 55.237 56.048 -0.073 0.000 1.254 94 H CB 1.073 30.863 29.762 0.047 0.000 1.390 94 H HN 0.133 8.413 8.280 -0.000 0.000 0.491 95 L N 3.830 124.940 121.223 -0.189 0.000 2.406 95 L HA 0.434 4.775 4.340 0.002 0.000 0.272 95 L C -1.904 174.781 176.870 -0.308 0.000 0.980 95 L CA -0.743 54.022 54.840 -0.124 0.000 0.831 95 L CB 0.667 42.677 42.059 -0.082 0.000 1.253 95 L HN 0.408 8.638 8.230 -0.000 0.000 0.406 96 Y N 3.680 124.021 120.300 0.069 0.000 2.326 96 Y HA 0.619 5.171 4.550 0.002 0.000 0.331 96 Y C 0.010 175.949 175.900 0.064 0.000 0.962 96 Y CA -0.530 57.610 58.100 0.067 0.000 1.167 96 Y CB 1.644 40.153 38.460 0.081 0.000 1.148 96 Y HN 0.523 8.803 8.280 -0.000 0.000 0.463 97 Q N 0.746 120.644 119.800 0.163 0.000 2.297 97 Q HA 0.529 4.870 4.340 0.002 0.000 0.269 97 Q C 0.525 176.591 176.000 0.111 0.000 1.051 97 Q CA -0.585 55.291 55.803 0.121 0.000 0.869 97 Q CB 2.185 30.971 28.738 0.079 0.000 1.346 97 Q HN 0.988 9.258 8.270 -0.000 0.000 0.457 98 G N 1.640 110.494 108.800 0.090 0.000 2.249 98 G HA2 -0.229 3.733 3.960 0.002 0.000 0.273 98 G HA3 -0.229 3.733 3.960 0.002 0.000 0.273 98 G C -0.287 174.659 174.900 0.076 0.000 1.036 98 G CA 0.081 45.225 45.100 0.073 0.000 0.824 98 G HN 0.371 8.661 8.290 -0.000 0.000 0.504 99 Q N 0.216 120.069 119.800 0.088 0.000 2.398 99 Q HA 0.473 4.814 4.340 0.002 0.000 0.251 99 Q C 1.073 177.107 176.000 0.056 0.000 0.999 99 Q CA 0.331 56.181 55.803 0.079 0.000 0.874 99 Q CB 1.524 30.321 28.738 0.099 0.000 1.215 99 Q HN 0.302 8.572 8.270 -0.000 0.000 0.470 100 S N 3.055 118.779 115.700 0.040 0.000 2.362 100 S HA -0.072 4.399 4.470 0.002 0.000 0.221 100 S C 0.621 175.230 174.600 0.015 0.000 1.032 100 S CA 0.558 58.774 58.200 0.026 0.000 0.973 100 S CB 0.188 63.401 63.200 0.021 0.000 0.849 100 S HN 0.717 9.027 8.310 -0.000 0.000 0.465 101 N N 0.439 119.145 118.700 0.011 0.000 2.527 101 N HA 0.189 4.931 4.740 0.002 0.000 0.236 101 N C 0.392 175.897 175.510 -0.009 0.000 0.999 101 N CA -0.280 52.767 53.050 -0.006 0.000 0.935 101 N CB 0.398 38.882 38.487 -0.006 0.000 1.132 101 N HN 0.254 8.634 8.380 -0.000 0.000 0.511 102 K N 2.715 123.101 120.400 -0.024 0.000 2.439 102 K HA 0.004 4.325 4.320 0.002 0.000 0.197 102 K C 1.464 178.047 176.600 -0.028 0.000 1.041 102 K CA 0.525 56.800 56.287 -0.021 0.000 0.970 102 K CB 0.232 32.718 32.500 -0.023 0.000 0.773 102 K HN 0.617 8.867 8.250 -0.000 0.000 0.479 103 L N 0.765 121.966 121.223 -0.037 0.000 2.201 103 L HA -0.152 4.189 4.340 0.002 0.000 0.212 103 L C 2.108 179.012 176.870 0.056 0.000 1.105 103 L CA 0.894 55.753 54.840 0.032 0.000 0.775 103 L CB -0.389 41.667 42.059 -0.005 0.000 0.913 103 L HN 0.162 8.392 8.230 -0.000 0.000 0.440 104 I N -0.109 120.459 120.570 -0.003 0.000 2.133 104 I HA -0.275 3.896 4.170 0.002 0.000 0.238 104 I C 2.835 178.891 176.117 -0.102 0.000 1.074 104 I CA 1.276 62.559 61.300 -0.028 0.000 1.342 104 I CB -0.515 37.479 38.000 -0.011 0.000 1.053 104 I HN 0.181 8.391 8.210 -0.000 0.000 0.404 105 A N 0.609 123.307 122.820 -0.203 0.000 1.908 105 A HA -0.280 4.041 4.320 0.002 0.000 0.218 105 A C 2.313 179.636 177.584 -0.434 0.000 1.181 105 A CA 1.631 53.293 52.037 -0.625 0.000 0.627 105 A CB -1.164 17.349 19.000 -0.811 0.000 0.818 105 A HN 0.494 8.644 8.150 -0.000 0.000 0.445 106 F N 1.370 121.147 119.950 -0.289 0.000 2.095 106 F HA -0.236 4.293 4.527 0.002 0.000 0.298 106 F C 2.586 178.302 175.800 -0.139 0.000 1.104 106 F CA 2.088 59.983 58.000 -0.175 0.000 1.232 106 F CB -0.127 38.794 39.000 -0.131 0.000 0.987 106 F HN 0.236 8.536 8.300 -0.000 0.000 0.475 107 S N -0.276 115.293 115.700 -0.218 0.000 2.368 107 S HA -0.262 4.210 4.470 0.002 0.000 0.225 107 S C 1.563 176.030 174.600 -0.221 0.000 1.030 107 S CA 1.556 59.596 58.200 -0.266 0.000 0.999 107 S CB -0.629 62.507 63.200 -0.107 0.000 0.844 107 S HN 0.560 8.870 8.310 -0.000 0.000 0.459 108 D N 1.249 121.556 120.400 -0.155 0.000 2.123 108 D HA -0.066 4.576 4.640 0.002 0.000 0.196 108 D C 1.815 178.083 176.300 -0.052 0.000 0.992 108 D CA 0.914 54.876 54.000 -0.064 0.000 0.833 108 D CB -0.221 40.590 40.800 0.019 0.000 0.954 108 D HN 0.273 8.643 8.370 -0.000 0.000 0.455 109 L N -0.194 120.954 121.223 -0.124 0.000 2.056 109 L HA -0.112 4.229 4.340 0.002 0.000 0.207 109 L C 2.477 179.239 176.870 -0.179 0.000 1.078 109 L CA 0.573 55.354 54.840 -0.098 0.000 0.749 109 L CB -0.263 41.739 42.059 -0.095 0.000 0.901 109 L HN 0.199 8.429 8.230 -0.000 0.000 0.433 110 L N -0.636 120.400 121.223 -0.312 0.000 2.046 110 L HA -0.251 4.090 4.340 0.002 0.000 0.208 110 L C 2.479 179.244 176.870 -0.174 0.000 1.077 110 L CA 1.434 56.094 54.840 -0.300 0.000 0.747 110 L CB -0.455 41.334 42.059 -0.450 0.000 0.896 110 L HN 0.328 8.558 8.230 -0.000 0.000 0.432 111 E N 0.265 120.380 120.200 -0.142 0.000 2.076 111 E HA -0.176 4.176 4.350 0.002 0.000 0.190 111 E C 2.204 178.777 176.600 -0.045 0.000 0.979 111 E CA 0.766 57.117 56.400 -0.082 0.000 0.807 111 E CB 0.222 29.883 29.700 -0.065 0.000 0.761 111 E HN 0.314 8.674 8.360 -0.000 0.000 0.454 112 K N 0.022 120.407 120.400 -0.025 0.000 2.097 112 K HA -0.067 4.254 4.320 0.002 0.000 0.206 112 K C 1.784 178.384 176.600 0.001 0.000 1.049 112 K CA 0.932 57.228 56.287 0.015 0.000 0.933 112 K CB 0.082 32.629 32.500 0.077 0.000 0.717 112 K HN 0.201 8.451 8.250 -0.000 0.000 0.442 113 L N 0.073 121.271 121.223 -0.042 0.000 2.607 113 L HA 0.241 4.583 4.340 0.002 0.000 0.228 113 L C 0.287 177.128 176.870 -0.049 0.000 1.123 113 L CA -0.287 54.522 54.840 -0.052 0.000 0.890 113 L CB 0.070 42.064 42.059 -0.109 0.000 1.103 113 L HN 0.076 8.306 8.230 -0.000 0.000 0.468 114 A N 1.593 124.382 122.820 -0.051 0.000 2.362 114 A HA -0.238 4.084 4.320 0.002 0.000 0.290 114 A C -0.114 177.439 177.584 -0.052 0.000 1.441 114 A CA 0.800 52.808 52.037 -0.048 0.000 0.743 114 A CB -1.868 17.114 19.000 -0.030 0.000 1.125 114 A HN 0.470 8.620 8.150 -0.000 0.000 0.378 115 I N -0.331 120.195 120.570 -0.073 0.000 2.608 115 I HA 0.701 4.872 4.170 0.002 0.000 0.295 115 I C 0.414 176.486 176.117 -0.074 0.000 1.049 115 I CA -0.502 60.759 61.300 -0.065 0.000 1.063 115 I CB 1.921 39.881 38.000 -0.066 0.000 1.248 115 I HN 0.764 8.974 8.210 -0.000 0.000 0.424 116 A N 8.361 131.154 122.820 -0.045 0.000 2.354 116 A HA 0.512 4.834 4.320 0.002 0.000 0.269 116 A C -1.864 175.715 177.584 -0.008 0.000 1.109 116 A CA -1.347 50.671 52.037 -0.032 0.000 0.800 116 A CB 0.011 19.002 19.000 -0.014 0.000 1.045 116 A HN 0.640 8.790 8.150 -0.000 0.000 0.489 117 P HA -0.256 4.164 4.420 -0.000 0.000 0.217 117 P C 1.022 178.381 177.300 0.099 0.000 1.148 117 P CA 1.780 64.956 63.100 0.127 0.000 0.828 117 P CB -0.002 31.812 31.700 0.190 0.000 0.783 118 E N -0.184 120.047 120.200 0.052 0.000 2.265 118 E HA -0.155 4.197 4.350 0.002 0.000 0.196 118 E C 1.050 177.672 176.600 0.036 0.000 0.996 118 E CA 0.787 57.209 56.400 0.037 0.000 0.832 118 E CB -0.861 28.853 29.700 0.022 0.000 0.756 118 E HN 0.234 8.594 8.360 -0.000 0.000 0.491 119 N N 1.050 119.770 118.700 0.033 0.000 2.314 119 N HA 0.089 4.830 4.740 0.002 0.000 0.200 119 N C -0.674 174.860 175.510 0.040 0.000 1.135 119 N CA 0.157 53.222 53.050 0.026 0.000 0.835 119 N CB 1.207 39.700 38.487 0.009 0.000 0.989 119 N HN 0.011 8.391 8.380 -0.000 0.000 0.478 120 V N 0.618 120.575 119.914 0.072 0.000 2.555 120 V HA 0.700 4.821 4.120 0.002 0.000 0.302 120 V C -0.045 176.111 176.094 0.104 0.000 1.038 120 V CA -1.152 61.212 62.300 0.108 0.000 0.887 120 V CB 1.730 33.679 31.823 0.211 0.000 0.991 120 V HN 0.089 8.279 8.190 -0.000 0.000 0.434 121 A N 3.834 126.712 122.820 0.096 0.000 2.340 121 A HA 0.849 5.170 4.320 0.002 0.000 0.331 121 A C -1.533 176.134 177.584 0.138 0.000 1.140 121 A CA -0.558 51.539 52.037 0.099 0.000 0.801 121 A CB 1.157 20.194 19.000 0.062 0.000 1.234 121 A HN 0.906 9.056 8.150 -0.000 0.000 0.469 122 Y N 1.516 121.826 120.300 0.017 0.000 2.386 122 Y HA 0.522 5.074 4.550 0.002 0.000 0.334 122 Y C -1.116 174.805 175.900 0.035 0.000 1.002 122 Y CA -0.650 57.455 58.100 0.007 0.000 1.068 122 Y CB 2.023 40.445 38.460 -0.064 0.000 1.203 122 Y HN 0.484 8.764 8.280 -0.000 0.000 0.443 123 V N 6.055 125.887 119.914 -0.136 0.000 2.347 123 V HA 0.797 4.918 4.120 0.002 0.000 0.280 123 V C 0.218 176.333 176.094 0.035 0.000 1.021 123 V CA -0.130 62.178 62.300 0.013 0.000 0.847 123 V CB 0.828 32.635 31.823 -0.026 0.000 0.990 123 V HN 0.931 9.121 8.190 -0.000 0.000 0.444 124 G N 2.545 111.499 108.800 0.258 0.000 2.658 124 G HA2 0.639 4.600 3.960 0.002 0.000 0.292 124 G HA3 0.639 4.600 3.960 0.002 0.000 0.292 124 G C -0.263 174.742 174.900 0.174 0.000 1.320 124 G CA -0.065 45.214 45.100 0.298 0.000 0.933 124 G HN 0.612 8.902 8.290 -0.000 0.000 0.476 125 D N -1.508 118.980 120.400 0.146 0.000 2.514 125 D HA 0.146 4.787 4.640 0.002 0.000 0.225 125 D C -0.525 175.840 176.300 0.108 0.000 1.159 125 D CA 0.121 54.183 54.000 0.105 0.000 0.823 125 D CB 1.040 41.886 40.800 0.076 0.000 1.097 125 D HN 0.223 8.593 8.370 -0.000 0.000 0.519 126 D N -0.300 120.162 120.400 0.104 0.000 2.559 126 D HA 0.333 4.974 4.640 0.002 0.000 0.250 126 D C 1.479 177.802 176.300 0.038 0.000 1.135 126 D CA -0.674 53.361 54.000 0.059 0.000 0.955 126 D CB 2.052 42.870 40.800 0.030 0.000 1.442 126 D HN -0.169 8.201 8.370 -0.000 0.000 0.471 127 L N 0.953 122.151 121.223 -0.042 0.000 2.131 127 L HA -0.088 4.253 4.340 0.002 0.000 0.210 127 L C 2.226 179.118 176.870 0.036 0.000 1.092 127 L CA 0.591 55.419 54.840 -0.019 0.000 0.759 127 L CB -0.340 41.653 42.059 -0.111 0.000 0.903 127 L HN 0.440 8.670 8.230 -0.000 0.000 0.435 128 I N 0.306 120.881 120.570 0.009 0.000 2.700 128 I HA -0.259 3.913 4.170 0.002 0.000 0.261 128 I C 1.763 177.875 176.117 -0.008 0.000 1.219 128 I CA 1.484 62.788 61.300 0.006 0.000 1.463 128 I CB -0.435 37.569 38.000 0.007 0.000 1.092 128 I HN 0.214 8.424 8.210 -0.000 0.000 0.452 129 D N -0.970 119.440 120.400 0.016 0.000 2.305 129 D HA -0.173 4.468 4.640 0.002 0.000 0.206 129 D C 1.810 177.991 176.300 -0.199 0.000 0.974 129 D CA 0.433 54.383 54.000 -0.083 0.000 0.871 129 D CB -0.391 40.465 40.800 0.093 0.000 0.947 129 D HN 0.552 8.922 8.370 -0.000 0.000 0.516 130 W N 2.182 123.361 121.300 -0.201 0.000 2.338 130 W HA -0.116 4.545 4.660 0.002 0.000 0.304 130 W C -1.247 175.131 176.519 -0.235 0.000 1.212 130 W CA 0.924 58.152 57.345 -0.195 0.000 1.264 130 W CB -0.948 28.442 29.460 -0.117 0.000 1.142 130 W HN 0.020 8.200 8.180 -0.000 0.000 0.512 131 P HA -0.225 4.195 4.420 -0.000 0.000 0.217 131 P C 1.762 178.684 177.300 -0.630 0.000 1.151 131 P CA 2.163 64.992 63.100 -0.452 0.000 0.849 131 P CB -0.250 31.308 31.700 -0.236 0.000 0.787 132 V N -1.523 117.964 119.914 -0.711 0.000 2.346 132 V HA -0.178 3.944 4.120 0.002 0.000 0.244 132 V C 2.378 177.861 176.094 -1.020 0.000 1.037 132 V CA 1.646 63.358 62.300 -0.979 0.000 1.029 132 V CB -1.106 30.099 31.823 -1.030 0.000 0.663 132 V HN 0.058 8.248 8.190 -0.000 0.000 0.454 133 M N -0.152 118.875 119.600 -0.957 0.000 2.195 133 M HA -0.263 4.218 4.480 0.002 0.000 0.260 133 M C 2.187 177.938 176.300 -0.915 0.000 1.066 133 M CA 1.988 56.863 55.300 -0.708 0.000 1.089 133 M CB -0.486 31.915 32.600 -0.332 0.000 1.377 133 M HN 0.387 8.677 8.290 -0.000 0.000 0.411 134 E N 0.610 119.937 120.200 -1.455 0.000 2.153 134 E HA -0.202 4.149 4.350 0.002 0.000 0.194 134 E C 1.580 177.834 176.600 -0.577 0.000 0.988 134 E CA 1.179 56.816 56.400 -1.271 0.000 0.811 134 E CB 0.181 29.145 29.700 -1.227 0.000 0.746 134 E HN 0.475 8.835 8.360 -0.000 0.000 0.466 135 K N 0.153 120.234 120.400 -0.532 0.000 2.356 135 K HA 0.050 4.371 4.320 0.002 0.000 0.195 135 K C 0.798 177.307 176.600 -0.152 0.000 1.037 135 K CA 0.350 56.464 56.287 -0.288 0.000 1.014 135 K CB 0.833 33.174 32.500 -0.265 0.000 0.815 135 K HN 0.057 8.307 8.250 -0.000 0.000 0.507 136 V N -2.240 117.547 119.914 -0.212 0.000 3.170 136 V HA 0.370 4.491 4.120 0.002 0.000 0.309 136 V C 1.320 177.409 176.094 -0.008 0.000 1.071 136 V CA -0.217 62.057 62.300 -0.044 0.000 1.063 136 V CB 1.148 32.952 31.823 -0.031 0.000 1.123 136 V HN 0.148 8.338 8.190 -0.000 0.000 0.464 137 G N 0.611 109.433 108.800 0.037 0.000 2.403 137 G HA2 0.056 4.017 3.960 0.002 0.000 0.216 137 G HA3 0.056 4.017 3.960 0.002 0.000 0.216 137 G C 0.310 175.235 174.900 0.042 0.000 1.154 137 G CA 0.980 46.101 45.100 0.035 0.000 0.784 137 G HN 0.780 9.070 8.290 -0.000 0.000 0.538 138 L N 1.848 123.104 121.223 0.055 0.000 2.415 138 L HA 0.535 4.877 4.340 0.002 0.000 0.268 138 L C -0.102 176.831 176.870 0.104 0.000 0.984 138 L CA -0.819 54.066 54.840 0.074 0.000 0.853 138 L CB 1.832 43.926 42.059 0.058 0.000 1.215 138 L HN 0.060 8.290 8.230 -0.000 0.000 0.419 139 S N 3.747 119.522 115.700 0.125 0.000 2.525 139 S HA 0.850 5.321 4.470 0.002 0.000 0.278 139 S C -0.408 174.319 174.600 0.213 0.000 1.234 139 S CA -0.661 57.643 58.200 0.172 0.000 1.058 139 S CB 1.634 64.953 63.200 0.198 0.000 0.983 139 S HN 0.389 8.699 8.310 -0.000 0.000 0.495 140 V N 1.852 121.900 119.914 0.223 0.000 2.531 140 V HA 0.777 4.899 4.120 0.002 0.000 0.301 140 V C 0.064 176.253 176.094 0.159 0.000 1.034 140 V CA -0.789 61.629 62.300 0.196 0.000 0.865 140 V CB 1.435 33.380 31.823 0.202 0.000 0.995 140 V HN 1.195 9.385 8.190 -0.000 0.000 0.424 141 A N 4.178 127.050 122.820 0.087 0.000 2.304 141 A HA 0.830 5.152 4.320 0.002 0.000 0.323 141 A C -0.021 177.558 177.584 -0.009 0.000 1.195 141 A CA -0.560 51.511 52.037 0.056 0.000 0.826 141 A CB 1.362 20.380 19.000 0.030 0.000 1.184 141 A HN 1.418 9.568 8.150 -0.000 0.000 0.496 142 V N 0.520 120.438 119.914 0.008 0.000 3.287 142 V HA 0.416 4.537 4.120 0.002 0.000 0.306 142 V C 1.470 177.535 176.094 -0.049 0.000 1.103 142 V CA 0.431 62.717 62.300 -0.023 0.000 1.159 142 V CB 0.040 31.864 31.823 0.002 0.000 1.036 142 V HN 1.408 9.598 8.190 -0.000 0.000 0.487 143 A N 1.849 124.630 122.820 -0.064 0.000 1.978 143 A HA -0.125 4.196 4.320 0.002 0.000 0.220 143 A C 1.444 178.999 177.584 -0.048 0.000 1.170 143 A CA 1.705 53.700 52.037 -0.069 0.000 0.636 143 A CB -0.761 18.204 19.000 -0.059 0.000 0.810 143 A HN 1.180 9.330 8.150 -0.000 0.000 0.448 144 D N -0.814 119.568 120.400 -0.031 0.000 2.643 144 D HA 0.491 5.132 4.640 0.002 0.000 0.244 144 D C 0.389 176.681 176.300 -0.014 0.000 1.257 144 D CA 0.272 54.256 54.000 -0.027 0.000 0.831 144 D CB -0.646 40.143 40.800 -0.019 0.000 1.043 144 D HN 0.350 8.720 8.370 -0.000 0.000 0.488 145 A N 0.531 123.347 122.820 -0.006 0.000 2.409 145 A HA 0.075 4.396 4.320 0.002 0.000 0.246 145 A C 0.486 178.086 177.584 0.027 0.000 1.099 145 A CA -0.312 51.742 52.037 0.028 0.000 0.789 145 A CB -0.081 18.941 19.000 0.036 0.000 1.053 145 A HN 0.514 8.664 8.150 -0.000 0.000 0.503 146 H N 1.089 120.150 119.070 -0.015 0.000 3.094 146 H HA 0.003 4.561 4.556 0.002 0.000 0.320 146 H C -1.550 173.753 175.328 -0.041 0.000 1.000 146 H CA -0.633 55.401 56.048 -0.025 0.000 1.413 146 H CB 0.730 30.480 29.762 -0.020 0.000 1.405 146 H HN 0.241 8.521 8.280 -0.000 0.000 0.586 147 P HA -0.174 4.246 4.420 -0.000 0.000 0.217 147 P C 1.714 178.977 177.300 -0.061 0.000 1.151 147 P CA 1.197 64.170 63.100 -0.211 0.000 0.849 147 P CB 0.164 31.689 31.700 -0.293 0.000 0.787 148 L N -2.196 119.098 121.223 0.119 0.000 2.395 148 L HA -0.059 4.282 4.340 0.002 0.000 0.218 148 L C 2.228 179.079 176.870 -0.031 0.000 1.130 148 L CA 0.439 55.327 54.840 0.078 0.000 0.826 148 L CB -0.532 41.607 42.059 0.135 0.000 0.941 148 L HN 0.001 8.231 8.230 -0.000 0.000 0.451 149 L N -0.180 121.054 121.223 0.019 0.000 2.162 149 L HA -0.059 4.283 4.340 0.002 0.000 0.205 149 L C 2.244 179.044 176.870 -0.116 0.000 1.086 149 L CA 1.351 56.143 54.840 -0.080 0.000 0.778 149 L CB -0.112 41.960 42.059 0.021 0.000 0.928 149 L HN 0.052 8.282 8.230 -0.000 0.000 0.446 150 I N 0.513 121.041 120.570 -0.070 0.000 2.118 150 I HA -0.260 3.911 4.170 0.002 0.000 0.241 150 I C -0.373 175.686 176.117 -0.098 0.000 1.070 150 I CA 1.546 62.801 61.300 -0.074 0.000 1.327 150 I CB -1.569 36.390 38.000 -0.068 0.000 1.034 150 I HN 0.292 8.502 8.210 -0.000 0.000 0.405 151 P HA -0.070 4.350 4.420 -0.000 0.000 0.226 151 P C 1.215 178.420 177.300 -0.158 0.000 1.153 151 P CA 1.120 64.150 63.100 -0.116 0.000 0.777 151 P CB -0.070 31.564 31.700 -0.111 0.000 0.794 152 R N -0.322 120.009 120.500 -0.281 0.000 2.119 152 R HA 0.202 4.543 4.340 0.002 0.000 0.222 152 R C 1.132 177.324 176.300 -0.180 0.000 1.088 152 R CA 0.337 56.148 56.100 -0.482 0.000 0.984 152 R CB -0.471 29.076 30.300 -1.254 0.000 0.884 152 R HN 0.128 8.398 8.270 -0.000 0.000 0.447 153 A N 1.353 124.154 122.820 -0.030 0.000 2.351 153 A HA 0.063 4.384 4.320 0.002 0.000 0.257 153 A C 0.248 177.915 177.584 0.140 0.000 1.087 153 A CA -0.485 51.648 52.037 0.160 0.000 0.798 153 A CB 0.434 19.515 19.000 0.136 0.000 1.033 153 A HN 0.044 8.194 8.150 -0.000 0.000 0.488 154 D N -0.975 119.536 120.400 0.185 0.000 2.144 154 D HA -0.044 4.598 4.640 0.002 0.000 0.200 154 D C -0.288 176.139 176.300 0.212 0.000 0.978 154 D CA 2.008 56.109 54.000 0.168 0.000 0.833 154 D CB -0.002 40.892 40.800 0.157 0.000 0.961 154 D HN 0.512 8.882 8.370 -0.000 0.000 0.470 155 Y N 0.236 120.570 120.300 0.056 0.000 2.421 155 Y HA 0.384 4.935 4.550 0.001 0.000 0.339 155 Y C -1.290 174.628 175.900 0.030 0.000 0.996 155 Y CA -1.055 57.066 58.100 0.035 0.000 1.046 155 Y CB 1.616 40.093 38.460 0.028 0.000 1.226 155 Y HN -0.400 7.880 8.280 -0.000 0.000 0.445 156 V N 5.657 125.235 119.914 -0.560 0.000 2.370 156 V HA 0.315 4.436 4.120 0.002 0.000 0.283 156 V C 0.125 175.689 176.094 -0.884 0.000 1.023 156 V CA -0.613 61.387 62.300 -0.501 0.000 0.857 156 V CB 1.381 33.044 31.823 -0.267 0.000 0.985 156 V HN 0.902 9.092 8.190 -0.000 0.000 0.443 157 T N 2.692 116.897 114.554 -0.582 0.000 2.903 157 T HA 0.172 4.523 4.350 0.002 0.000 0.314 157 T C 1.022 175.563 174.700 -0.265 0.000 1.078 157 T CA -0.142 61.706 62.100 -0.420 0.000 1.114 157 T CB 0.910 69.680 68.868 -0.164 0.000 0.987 157 T HN 0.521 8.761 8.240 -0.000 0.000 0.548 158 R N 0.650 121.054 120.500 -0.160 0.000 2.119 158 R HA 0.282 4.623 4.340 0.002 0.000 0.222 158 R C 0.533 176.820 176.300 -0.022 0.000 1.088 158 R CA 0.569 56.640 56.100 -0.048 0.000 0.984 158 R CB -0.122 30.220 30.300 0.071 0.000 0.884 158 R HN 0.615 8.885 8.270 -0.000 0.000 0.447 159 I N 0.838 121.383 120.570 -0.043 0.000 2.396 159 I HA 0.306 4.477 4.170 0.002 0.000 0.292 159 I C 0.566 176.673 176.117 -0.017 0.000 0.999 159 I CA -1.433 59.864 61.300 -0.004 0.000 1.310 159 I CB 0.874 38.885 38.000 0.017 0.000 1.404 159 I HN 0.047 8.257 8.210 -0.000 0.000 0.496 160 A N 4.408 127.229 122.820 0.001 0.000 2.406 160 A HA 0.518 4.839 4.320 0.002 0.000 0.243 160 A C 0.843 178.432 177.584 0.007 0.000 1.082 160 A CA -0.017 52.020 52.037 -0.001 0.000 0.786 160 A CB -0.137 18.865 19.000 0.004 0.000 1.029 160 A HN 0.918 9.068 8.150 -0.000 0.000 0.495 161 G N -0.932 107.873 108.800 0.008 0.000 2.353 161 G HA2 0.493 4.455 3.960 0.002 0.000 0.239 161 G HA3 0.493 4.455 3.960 0.002 0.000 0.239 161 G C 1.236 176.150 174.900 0.023 0.000 1.295 161 G CA 0.497 45.608 45.100 0.018 0.000 0.884 161 G HN 2.330 10.620 8.290 -0.000 0.000 0.537 162 G N 1.965 110.785 108.800 0.034 0.000 2.184 162 G HA2 -0.267 3.695 3.960 0.002 0.000 0.264 162 G HA3 -0.267 3.695 3.960 0.002 0.000 0.264 162 G C 1.262 176.190 174.900 0.047 0.000 0.975 162 G CA 0.611 45.734 45.100 0.039 0.000 0.642 162 G HN 0.721 9.011 8.290 -0.000 0.000 0.536 163 R N -0.341 120.186 120.500 0.045 0.000 2.476 163 R HA 0.438 4.779 4.340 0.002 0.000 0.276 163 R C 1.606 177.944 176.300 0.063 0.000 0.941 163 R CA 0.950 57.079 56.100 0.050 0.000 1.088 163 R CB 0.587 30.911 30.300 0.040 0.000 1.216 163 R HN 1.365 9.635 8.270 -0.000 0.000 0.533 164 G N -0.054 108.784 108.800 0.064 0.000 2.200 164 G HA2 -0.185 3.776 3.960 0.002 0.000 0.145 164 G HA3 -0.185 3.776 3.960 0.002 0.000 0.145 164 G C 0.882 175.802 174.900 0.034 0.000 1.021 164 G CA 0.139 45.284 45.100 0.075 0.000 0.720 164 G HN 0.278 8.568 8.290 -0.000 0.000 0.494 165 A N -0.050 122.777 122.820 0.012 0.000 1.902 165 A HA 0.234 4.556 4.320 0.002 0.000 0.217 165 A C 2.536 180.112 177.584 -0.013 0.000 1.181 165 A CA 2.633 54.656 52.037 -0.023 0.000 0.623 165 A CB -0.408 18.587 19.000 -0.008 0.000 0.818 165 A HN 1.042 9.192 8.150 -0.000 0.000 0.443 166 V N 0.020 119.946 119.914 0.021 0.000 2.307 166 V HA -0.219 3.903 4.120 0.002 0.000 0.245 166 V C 2.648 178.764 176.094 0.037 0.000 1.045 166 V CA 2.260 64.577 62.300 0.029 0.000 1.024 166 V CB -0.822 31.027 31.823 0.044 0.000 0.651 166 V HN 0.644 8.834 8.190 -0.000 0.000 0.449 167 R N 0.976 121.514 120.500 0.063 0.000 2.103 167 R HA -0.231 4.110 4.340 0.002 0.000 0.242 167 R C 2.223 178.575 176.300 0.087 0.000 1.142 167 R CA 2.339 58.502 56.100 0.106 0.000 0.960 167 R CB -0.760 29.633 30.300 0.154 0.000 0.858 167 R HN 0.678 8.948 8.270 -0.000 0.000 0.439 168 E N -0.679 119.494 120.200 -0.046 0.000 2.058 168 E HA -0.161 4.191 4.350 0.002 0.000 0.194 168 E C 1.711 178.230 176.600 -0.135 0.000 0.997 168 E CA 1.805 57.992 56.400 -0.356 0.000 0.801 168 E CB 0.015 29.275 29.700 -0.733 0.000 0.746 168 E HN 0.242 8.602 8.360 -0.000 0.000 0.450 169 V N 0.504 120.394 119.914 -0.040 0.000 2.358 169 V HA -0.303 3.818 4.120 0.002 0.000 0.246 169 V C 2.579 178.678 176.094 0.008 0.000 1.047 169 V CA 1.575 63.877 62.300 0.004 0.000 1.035 169 V CB -0.493 31.352 31.823 0.037 0.000 0.658 169 V HN 0.544 8.734 8.190 -0.000 0.000 0.452 170 C N 0.197 119.514 119.300 0.029 0.000 2.413 170 C HA -0.176 4.286 4.460 0.002 0.000 0.276 170 C C 2.555 177.580 174.990 0.058 0.000 1.248 170 C CA 0.989 60.031 59.018 0.040 0.000 1.742 170 C CB -1.070 26.700 27.740 0.051 0.000 2.017 170 C HN 0.594 8.824 8.230 -0.000 0.000 0.481 171 D N 0.495 120.957 120.400 0.102 0.000 2.123 171 D HA -0.118 4.524 4.640 0.002 0.000 0.196 171 D C 1.915 178.271 176.300 0.092 0.000 0.992 171 D CA 0.973 55.059 54.000 0.144 0.000 0.833 171 D CB -0.563 40.415 40.800 0.297 0.000 0.954 171 D HN 0.380 8.750 8.370 -0.000 0.000 0.455 172 L N 0.651 121.901 121.223 0.045 0.000 2.017 172 L HA -0.114 4.228 4.340 0.002 0.000 0.208 172 L C 2.217 179.068 176.870 -0.031 0.000 1.073 172 L CA 1.402 56.225 54.840 -0.027 0.000 0.745 172 L CB -0.518 41.448 42.059 -0.156 0.000 0.894 172 L HN -0.002 8.228 8.230 -0.000 0.000 0.432 173 L N -1.243 119.967 121.223 -0.022 0.000 2.046 173 L HA -0.232 4.109 4.340 0.002 0.000 0.208 173 L C 2.538 179.407 176.870 -0.002 0.000 1.077 173 L CA 1.273 56.104 54.840 -0.014 0.000 0.747 173 L CB -0.691 41.364 42.059 -0.006 0.000 0.896 173 L HN 0.316 8.546 8.230 -0.000 0.000 0.432 174 L N -0.707 120.523 121.223 0.012 0.000 2.056 174 L HA -0.218 4.123 4.340 0.002 0.000 0.207 174 L C 2.572 179.452 176.870 0.017 0.000 1.078 174 L CA 0.702 55.552 54.840 0.017 0.000 0.749 174 L CB -0.458 41.619 42.059 0.030 0.000 0.901 174 L HN 0.230 8.460 8.230 -0.000 0.000 0.433 175 L N 0.417 121.654 121.223 0.022 0.000 2.012 175 L HA -0.168 4.173 4.340 0.002 0.000 0.210 175 L C 2.625 179.498 176.870 0.006 0.000 1.073 175 L CA 2.130 56.981 54.840 0.019 0.000 0.748 175 L CB -0.814 41.261 42.059 0.027 0.000 0.891 175 L HN 0.151 8.381 8.230 -0.000 0.000 0.431 176 A N -1.300 121.517 122.820 -0.005 0.000 1.972 176 A HA -0.229 4.093 4.320 0.002 0.000 0.219 176 A C 2.077 179.658 177.584 -0.004 0.000 1.169 176 A CA 1.809 53.840 52.037 -0.011 0.000 0.635 176 A CB -0.518 18.468 19.000 -0.023 0.000 0.810 176 A HN 0.720 8.870 8.150 -0.000 0.000 0.446 177 Q N -1.432 118.367 119.800 -0.001 0.000 2.280 177 Q HA 0.310 4.651 4.340 0.002 0.000 0.201 177 Q C 0.768 176.769 176.000 0.003 0.000 0.890 177 Q CA 0.179 55.982 55.803 0.000 0.000 0.947 177 Q CB 0.256 28.994 28.738 -0.000 0.000 1.081 177 Q HN 0.793 9.063 8.270 -0.000 0.000 0.502 178 G N 2.044 110.846 108.800 0.005 0.000 2.295 178 G HA2 -0.313 3.649 3.960 0.002 0.000 0.287 178 G HA3 -0.313 3.649 3.960 0.002 0.000 0.287 178 G C 0.352 175.257 174.900 0.008 0.000 1.055 178 G CA 0.669 45.773 45.100 0.007 0.000 0.922 178 G HN 0.347 8.637 8.290 -0.000 0.000 0.503 179 K N -1.326 119.081 120.400 0.010 0.000 2.477 179 K HA 0.333 4.655 4.320 0.002 0.000 0.208 179 K C 2.005 178.617 176.600 0.019 0.000 1.117 179 K CA -0.201 56.092 56.287 0.011 0.000 1.039 179 K CB 0.391 32.895 32.500 0.006 0.000 0.937 179 K HN 0.233 8.483 8.250 -0.000 0.000 0.570 180 L N 1.779 123.018 121.223 0.025 0.000 2.027 180 L HA -0.105 4.237 4.340 0.002 0.000 0.206 180 L C 1.298 178.193 176.870 0.043 0.000 1.074 180 L CA 2.024 56.888 54.840 0.040 0.000 0.745 180 L CB -0.116 41.969 42.059 0.043 0.000 0.898 180 L HN 0.076 8.306 8.230 -0.000 0.000 0.433 181 D N -0.233 120.186 120.400 0.031 0.000 2.123 181 D HA -0.160 4.481 4.640 0.002 0.000 0.196 181 D C 1.736 178.056 176.300 0.034 0.000 0.992 181 D CA 1.309 55.327 54.000 0.030 0.000 0.833 181 D CB 0.015 40.827 40.800 0.020 0.000 0.954 181 D HN 0.444 8.814 8.370 -0.000 0.000 0.455 182 E N -0.110 120.106 120.200 0.027 0.000 2.481 182 E HA 0.255 4.606 4.350 0.002 0.000 0.198 182 E C 0.316 176.930 176.600 0.022 0.000 1.027 182 E CA -0.153 56.262 56.400 0.024 0.000 0.900 182 E CB 0.537 30.246 29.700 0.015 0.000 0.993 182 E HN 0.090 8.450 8.360 -0.000 0.000 0.482 183 A N 1.642 124.478 122.820 0.026 0.000 2.498 183 A HA 0.217 4.538 4.320 0.002 0.000 0.239 183 A C 0.068 177.657 177.584 0.008 0.000 1.068 183 A CA 0.401 52.442 52.037 0.007 0.000 0.766 183 A CB 0.232 19.238 19.000 0.009 0.000 1.003 183 A HN -0.041 8.109 8.150 -0.000 0.000 0.497 184 K N 0.666 121.032 120.400 -0.057 0.000 2.468 184 K HA 0.637 4.959 4.320 0.002 0.000 0.252 184 K C 0.102 176.546 176.600 -0.259 0.000 0.932 184 K CA -0.038 56.204 56.287 -0.076 0.000 0.794 184 K CB 2.546 35.034 32.500 -0.019 0.000 1.241 184 K HN 0.961 9.211 8.250 -0.000 0.000 0.428 185 G N 1.101 109.615 108.800 -0.478 0.000 2.975 185 G HA2 0.487 4.449 3.960 0.002 0.000 0.291 185 G HA3 0.487 4.449 3.960 0.002 0.000 0.291 185 G C -1.641 173.131 174.900 -0.214 0.000 1.334 185 G CA -0.557 44.180 45.100 -0.606 0.000 0.843 185 G HN 0.353 8.643 8.290 -0.000 0.000 0.548 186 Q N -0.248 119.500 119.800 -0.087 0.000 2.321 186 Q HA 0.579 4.920 4.340 0.002 0.000 0.270 186 Q C -0.437 175.719 176.000 0.261 0.000 1.032 186 Q CA -0.450 55.435 55.803 0.137 0.000 0.784 186 Q CB 2.143 30.911 28.738 0.050 0.000 1.264 186 Q HN 0.381 8.651 8.270 -0.000 0.000 0.448 187 S N 3.678 119.582 115.700 0.339 0.000 3.065 187 S HA 0.380 4.851 4.470 0.002 0.000 0.311 187 S C -0.171 174.504 174.600 0.124 0.000 1.204 187 S CA -0.234 58.110 58.200 0.239 0.000 1.040 187 S CB -0.937 62.318 63.200 0.092 0.000 1.436 187 S HN 0.528 8.838 8.310 -0.000 0.000 0.532 188 I N 0.000 120.634 120.570 0.107 0.000 2.984 188 I HA 0.000 4.171 4.170 0.002 0.000 0.288 188 I CA 0.000 61.335 61.300 0.059 0.000 1.566 188 I CB 0.000 38.020 38.000 0.033 0.000 1.214 188 I HN 0.000 8.210 8.210 -0.000 0.000 0.494