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 2l0x_1_A DATA FIRST_RESID 6 DATA SEQUENCE SRKIAILGYR SVGKSSLTIQ FVEGQFVDSY DPTIENTFTK LITVNGQEYH DATA SEQUENCE LQLVDTAGQD EYSIFPQTYS IDINGYILVY SVTSIKSFEV IKVIHGKLLD DATA SEQUENCE MVGKVQIPIM LVGNKKDLHM ERVISYEEGK ALAESWNAAF LESSAKENQT DATA SEQUENCE AVDVFRRIIL EAEKIDGAA 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 6 S HA 0.000 4.507 4.470 0.062 0.000 0.327 6 S C 0.000 174.602 174.600 0.003 0.000 1.055 6 S CA 0.000 58.201 58.200 0.002 0.000 1.107 6 S CB 0.000 63.224 63.200 0.039 0.000 0.593 7 R N 5.489 126.008 120.500 0.032 0.000 2.621 7 R HA 0.391 4.739 4.340 0.013 0.000 0.284 7 R C -2.242 174.086 176.300 0.045 0.000 0.998 7 R CA -1.580 54.537 56.100 0.028 0.000 0.895 7 R CB 4.410 34.726 30.300 0.027 0.000 1.195 7 R HN -0.004 8.304 8.270 0.063 0.000 0.450 8 K N 3.685 124.096 120.400 0.018 0.000 2.206 8 K HA 0.473 5.018 4.320 0.040 -0.201 0.264 8 K C -1.643 174.939 176.600 -0.030 0.000 0.967 8 K CA -1.046 55.248 56.287 0.011 0.000 0.844 8 K CB 1.665 34.165 32.500 0.001 0.000 1.099 8 K HN 0.287 8.609 8.250 0.002 -0.071 0.441 9 I N 1.303 121.857 120.570 -0.026 0.000 2.321 9 I HA 0.156 4.298 4.170 -0.097 -0.031 0.291 9 I C -1.165 174.879 176.117 -0.122 0.000 0.998 9 I CA -3.439 57.818 61.300 -0.072 0.000 1.227 9 I CB -0.524 37.452 38.000 -0.040 0.000 1.368 9 I HN 0.281 8.403 8.210 0.009 0.093 0.466 10 A N 7.827 130.479 122.820 -0.280 0.000 2.366 10 A HA 0.224 4.451 4.320 -0.155 0.000 0.272 10 A C -1.093 176.428 177.584 -0.104 0.000 1.135 10 A CA -1.039 50.809 52.037 -0.315 0.000 0.804 10 A CB 1.074 19.574 19.000 -0.833 0.000 1.064 10 A HN 0.253 8.051 8.150 -0.400 0.111 0.499 11 I N 3.637 124.202 120.570 -0.007 0.000 2.331 11 I HA 0.641 5.092 4.170 0.024 -0.266 0.292 11 I C -1.006 175.172 176.117 0.101 0.000 0.998 11 I CA -0.603 60.716 61.300 0.032 0.000 1.267 11 I CB 1.098 39.087 38.000 -0.019 0.000 1.386 11 I HN 0.600 8.714 8.210 0.002 0.097 0.476 12 L N 8.172 129.448 121.223 0.087 0.000 2.401 12 L HA 0.547 4.956 4.340 0.116 0.000 0.263 12 L C -2.063 174.839 176.870 0.053 0.000 1.004 12 L CA -1.168 53.716 54.840 0.073 0.000 0.881 12 L CB 2.139 44.189 42.059 -0.014 0.000 1.219 12 L HN -0.337 7.928 8.230 0.058 0.000 0.441 13 G N 3.415 112.259 108.800 0.074 0.000 2.701 13 G HA2 0.307 4.491 3.960 0.110 0.000 0.300 13 G HA3 0.307 4.298 3.960 0.051 0.000 0.300 13 G C -1.262 173.719 174.900 0.135 0.000 1.410 13 G CA -0.584 44.571 45.100 0.091 0.000 1.014 13 G HN -0.529 7.810 8.290 0.081 0.000 0.509 14 Y N 4.857 125.167 120.300 0.016 0.000 2.178 14 Y HA -0.338 4.227 4.550 0.024 0.000 0.364 14 Y C -0.692 175.216 175.900 0.014 0.000 1.240 14 Y CA 0.941 59.053 58.100 0.019 0.000 1.609 14 Y CB 1.220 39.691 38.460 0.018 0.000 1.365 14 Y HN 0.229 8.705 8.280 0.326 0.000 0.737 15 R N -0.433 120.034 120.500 -0.055 0.000 2.543 15 R HA -0.229 4.083 4.340 -0.046 0.000 0.277 15 R C -0.560 175.772 176.300 0.053 0.000 1.074 15 R CA 1.004 57.086 56.100 -0.031 0.000 1.076 15 R CB 0.454 30.702 30.300 -0.086 0.000 0.993 15 R HN 0.233 8.315 8.270 -0.314 0.000 0.459 16 S N 0.411 116.119 115.700 0.014 0.000 3.319 16 S HA -0.441 4.016 4.470 -0.022 0.000 0.319 16 S C 0.022 174.636 174.600 0.023 0.000 1.236 16 S CA 1.226 59.430 58.200 0.006 0.000 0.964 16 S CB -0.389 62.816 63.200 0.009 0.000 1.040 16 S HN 0.870 9.176 8.310 -0.008 0.000 0.620 17 V N -0.732 119.208 119.914 0.045 0.000 2.913 17 V HA -0.234 3.916 4.120 0.050 0.000 0.260 17 V C 0.064 176.152 176.094 -0.010 0.000 1.098 17 V CA 0.888 63.212 62.300 0.040 0.000 1.121 17 V CB -0.261 31.604 31.823 0.071 0.000 0.714 17 V HN -0.855 7.309 8.190 0.051 0.057 0.487 18 G N -4.113 104.674 108.800 -0.021 0.000 2.145 18 G HA2 -0.312 3.625 3.960 -0.038 0.000 0.176 18 G HA3 -0.312 3.622 3.960 -0.043 0.000 0.176 18 G C 0.407 175.275 174.900 -0.054 0.000 1.013 18 G CA -0.098 44.978 45.100 -0.039 0.000 0.689 18 G HN -0.021 8.210 8.290 -0.015 0.051 0.506 19 K N 0.442 120.810 120.400 -0.052 0.000 1.973 19 K HA -0.388 3.878 4.320 -0.089 0.000 0.212 19 K C 1.254 177.785 176.600 -0.114 0.000 1.047 19 K CA 3.843 60.083 56.287 -0.077 0.000 0.937 19 K CB 0.093 32.561 32.500 -0.054 0.000 0.721 19 K HN 0.123 8.352 8.250 -0.035 0.000 0.440 20 S N -3.039 112.603 115.700 -0.097 0.000 2.419 20 S HA -0.335 4.003 4.470 -0.221 0.000 0.235 20 S C 1.836 176.386 174.600 -0.082 0.000 1.019 20 S CA 3.704 61.834 58.200 -0.116 0.000 0.982 20 S CB -1.017 62.160 63.200 -0.040 0.000 0.789 20 S HN 0.501 8.771 8.310 -0.066 0.000 0.490 21 S N 2.133 117.808 115.700 -0.041 0.000 2.345 21 S HA -0.189 4.312 4.470 0.052 0.000 0.220 21 S C 1.586 176.196 174.600 0.017 0.000 1.031 21 S CA 3.584 61.793 58.200 0.014 0.000 0.996 21 S CB -0.290 62.921 63.200 0.018 0.000 0.882 21 S HN -0.032 8.129 8.310 -0.048 0.120 0.445 22 L N 1.610 122.820 121.223 -0.023 0.000 2.240 22 L HA -0.041 4.333 4.340 0.056 0.000 0.211 22 L C 1.840 178.709 176.870 -0.001 0.000 1.106 22 L CA 1.931 56.773 54.840 0.005 0.000 0.793 22 L CB -0.376 41.663 42.059 -0.033 0.000 0.927 22 L HN -0.337 7.863 8.230 -0.050 0.000 0.446 23 T N 2.804 117.275 114.554 -0.138 0.000 2.746 23 T HA -0.390 3.828 4.350 -0.220 0.000 0.267 23 T C 2.252 176.843 174.700 -0.182 0.000 1.039 23 T CA 4.970 66.895 62.100 -0.292 0.000 1.142 23 T CB -0.647 67.819 68.868 -0.671 0.000 0.866 23 T HN 0.502 8.626 8.240 -0.158 0.022 0.444 24 I N 0.952 121.461 120.570 -0.100 0.000 2.333 24 I HA -0.268 3.989 4.170 0.144 0.000 0.246 24 I C 1.398 177.584 176.117 0.115 0.000 1.106 24 I CA 3.434 64.776 61.300 0.071 0.000 1.411 24 I CB -0.033 38.032 38.000 0.107 0.000 1.082 24 I HN -0.509 7.629 8.210 -0.116 0.002 0.420 25 Q N 0.273 120.146 119.800 0.122 0.000 2.167 25 Q HA -0.247 4.340 4.340 0.133 -0.167 0.202 25 Q C 2.489 178.566 176.000 0.129 0.000 0.970 25 Q CA 2.805 58.694 55.803 0.143 0.000 0.855 25 Q CB 0.091 28.932 28.738 0.172 0.000 0.911 25 Q HN -0.272 8.058 8.270 0.101 0.000 0.438 26 F N 0.645 120.603 119.950 0.013 0.000 2.074 26 F HA -0.302 4.237 4.527 0.021 0.000 0.290 26 F C 1.713 177.532 175.800 0.031 0.000 1.118 26 F CA 3.243 61.254 58.000 0.018 0.000 1.199 26 F CB 0.232 39.237 39.000 0.009 0.000 1.012 26 F HN 0.222 8.547 8.300 0.265 0.134 0.472 27 V N -0.096 120.023 119.914 0.343 0.000 2.278 27 V HA -0.579 3.716 4.120 0.291 0.000 0.251 27 V C 1.596 177.714 176.094 0.040 0.000 1.062 27 V CA 4.228 66.672 62.300 0.240 0.000 1.038 27 V CB 0.216 32.239 31.823 0.333 0.000 0.646 27 V HN -0.432 8.036 8.190 0.464 0.000 0.447 28 E N -3.176 117.052 120.200 0.046 0.000 2.299 28 E HA -0.088 4.261 4.350 -0.002 0.000 0.193 28 E C 0.622 177.175 176.600 -0.077 0.000 0.998 28 E CA 0.107 56.507 56.400 -0.000 0.000 0.851 28 E CB 0.562 30.283 29.700 0.036 0.000 0.795 28 E HN -0.607 7.810 8.360 0.097 0.002 0.492 29 G N -0.684 108.047 108.800 -0.115 0.000 2.176 29 G HA2 -0.362 3.558 3.960 -0.214 0.000 0.252 29 G HA3 -0.362 3.455 3.960 -0.238 0.000 0.252 29 G C -1.233 173.627 174.900 -0.067 0.000 1.024 29 G CA 0.749 45.747 45.100 -0.171 0.000 0.755 29 G HN -0.075 7.947 8.290 -0.074 0.224 0.507 30 Q N -1.866 117.934 119.800 -0.001 0.000 2.271 30 Q HA 0.148 4.692 4.340 0.040 -0.180 0.268 30 Q C -1.122 174.940 176.000 0.104 0.000 1.021 30 Q CA -1.459 54.364 55.803 0.033 0.000 0.802 30 Q CB 3.127 31.859 28.738 -0.010 0.000 1.282 30 Q HN -0.730 7.526 8.270 0.014 0.023 0.431 31 F N 9.262 129.212 119.950 -0.000 0.000 2.556 31 F HA 0.085 4.625 4.527 0.021 0.000 0.344 31 F C -1.660 174.153 175.800 0.020 0.000 1.255 31 F CA -0.365 57.643 58.000 0.014 0.000 1.091 31 F CB -0.688 38.319 39.000 0.012 0.000 1.325 31 F HN 0.675 9.556 8.300 0.244 -0.435 0.627 32 V N 7.377 127.154 119.914 -0.228 0.000 3.109 32 V HA 0.191 4.004 4.120 -0.511 0.000 0.317 32 V C 0.442 176.330 176.094 -0.343 0.000 1.074 32 V CA -1.582 60.503 62.300 -0.358 0.000 1.033 32 V CB 3.069 34.825 31.823 -0.112 0.000 1.111 32 V HN -0.300 7.923 8.190 0.055 0.000 0.458 33 D N 0.446 120.692 120.400 -0.255 0.000 2.192 33 D HA -0.266 4.310 4.640 -0.108 0.000 0.189 33 D C -0.589 175.788 176.300 0.129 0.000 1.007 33 D CA 2.453 56.408 54.000 -0.074 0.000 0.859 33 D CB 0.163 40.942 40.800 -0.035 0.000 0.936 33 D HN 0.125 8.347 8.370 -0.247 0.000 0.447 34 S N -3.215 112.556 115.700 0.118 0.000 4.026 34 S HA -0.225 4.325 4.470 0.134 0.000 0.305 34 S C -1.259 173.498 174.600 0.262 0.000 0.787 34 S CA 0.480 58.782 58.200 0.169 0.000 1.314 34 S CB -0.335 62.968 63.200 0.172 0.000 1.849 34 S HN -0.242 8.099 8.310 0.054 0.001 0.444 35 Y N 2.153 122.489 120.300 0.060 0.000 2.919 35 Y HA 0.067 4.654 4.550 0.062 0.000 0.245 35 Y C -1.885 174.042 175.900 0.045 0.000 0.959 35 Y CA -0.827 57.306 58.100 0.055 0.000 1.118 35 Y CB 0.770 39.261 38.460 0.051 0.000 1.224 35 Y HN -0.131 8.277 8.280 0.213 0.000 0.658 36 D N 0.898 121.311 120.400 0.021 0.000 2.437 36 D HA 0.258 4.926 4.640 0.048 0.000 0.259 36 D C -1.228 175.038 176.300 -0.057 0.000 1.118 36 D CA -1.392 52.616 54.000 0.014 0.000 1.017 36 D CB 0.578 41.406 40.800 0.048 0.000 1.120 36 D HN -0.391 7.998 8.370 0.032 0.000 0.541 37 P HA -0.002 4.380 4.420 -0.064 0.000 0.317 37 P C -0.541 176.739 177.300 -0.035 0.000 1.427 37 P CA 0.140 63.217 63.100 -0.038 0.000 0.820 37 P CB 0.588 32.282 31.700 -0.009 0.000 1.894 38 T N -0.313 114.231 114.554 -0.017 0.000 3.585 38 T HA 0.075 4.420 4.350 -0.009 0.000 0.252 38 T C -0.718 173.990 174.700 0.012 0.000 1.382 38 T CA -1.405 60.690 62.100 -0.008 0.000 1.584 38 T CB -0.380 68.477 68.868 -0.018 0.000 0.892 38 T HN -0.064 8.169 8.240 -0.012 0.000 0.671 39 I N 3.778 124.366 120.570 0.031 0.000 2.519 39 I HA 0.046 4.232 4.170 0.027 0.000 0.287 39 I C -1.279 174.879 176.117 0.069 0.000 1.047 39 I CA -1.139 60.187 61.300 0.043 0.000 1.381 39 I CB 1.714 39.743 38.000 0.048 0.000 1.417 39 I HN -0.310 7.921 8.210 0.033 0.000 0.540 40 E N 5.422 125.655 120.200 0.055 0.000 2.313 40 E HA 0.155 4.918 4.350 0.093 -0.357 0.272 40 E C -1.434 175.223 176.600 0.094 0.000 1.038 40 E CA -1.053 55.390 56.400 0.071 0.000 0.863 40 E CB 1.451 31.167 29.700 0.027 0.000 1.060 40 E HN 0.072 8.452 8.360 0.033 0.000 0.402 41 N N -0.524 118.269 118.700 0.155 0.000 3.501 41 N HA 0.118 4.884 4.740 0.044 0.000 0.235 41 N C -2.444 173.200 175.510 0.222 0.000 1.442 41 N CA -0.106 53.026 53.050 0.136 0.000 0.872 41 N CB 3.476 42.027 38.487 0.107 0.000 1.414 41 N HN -0.146 8.340 8.380 0.176 0.000 0.485 42 T N -1.227 113.368 114.554 0.068 0.000 2.824 42 T HA 0.846 5.515 4.350 0.247 -0.170 0.280 42 T C -0.827 173.868 174.700 -0.009 0.000 0.995 42 T CA -1.095 61.075 62.100 0.118 0.000 1.009 42 T CB 0.969 69.847 68.868 0.018 0.000 0.955 42 T HN 0.086 8.292 8.240 -0.057 0.000 0.452 43 F N 4.187 124.151 119.950 0.023 0.000 2.618 43 F HA 0.376 4.924 4.527 0.033 0.000 0.332 43 F C -0.814 175.017 175.800 0.051 0.000 1.061 43 F CA -1.442 56.583 58.000 0.041 0.000 0.974 43 F CB 4.069 43.106 39.000 0.062 0.000 1.310 43 F HN 0.850 9.313 8.300 0.452 0.108 0.491 44 T N -0.576 114.120 114.554 0.236 0.000 2.923 44 T HA 0.462 5.097 4.350 0.180 -0.177 0.311 44 T C -1.312 173.497 174.700 0.181 0.000 1.183 44 T CA -1.089 61.110 62.100 0.165 0.000 1.020 44 T CB 2.979 71.886 68.868 0.065 0.000 1.165 44 T HN -0.082 8.307 8.240 0.248 0.000 0.482 45 K N 4.538 125.053 120.400 0.191 0.000 2.652 45 K HA 0.290 4.692 4.320 0.136 0.000 0.249 45 K C -2.515 174.207 176.600 0.202 0.000 0.986 45 K CA -0.534 55.868 56.287 0.192 0.000 0.867 45 K CB 2.719 35.385 32.500 0.276 0.000 1.201 45 K HN 0.852 9.217 8.250 0.192 0.000 0.450 46 L N 5.768 127.078 121.223 0.146 0.000 2.287 46 L HA 0.797 5.536 4.340 0.358 -0.184 0.287 46 L C -0.142 176.853 176.870 0.209 0.000 1.022 46 L CA -0.532 54.437 54.840 0.215 0.000 0.814 46 L CB 0.796 42.891 42.059 0.060 0.000 1.217 46 L HN 0.342 8.627 8.230 0.092 0.000 0.420 47 I N 2.077 122.819 120.570 0.287 0.000 3.195 47 I HA 0.490 4.750 4.170 0.150 0.000 0.313 47 I C -1.651 174.621 176.117 0.258 0.000 1.237 47 I CA -2.198 59.236 61.300 0.223 0.000 0.963 47 I CB 4.089 42.218 38.000 0.216 0.000 1.278 47 I HN 0.636 9.074 8.210 0.381 0.000 0.460 48 T N 3.691 118.360 114.554 0.191 0.000 2.786 48 T HA 0.506 5.150 4.350 0.225 -0.160 0.283 48 T C -1.066 173.719 174.700 0.142 0.000 0.992 48 T CA -0.385 61.821 62.100 0.175 0.000 0.954 48 T CB 0.951 69.893 68.868 0.124 0.000 0.934 48 T HN 0.050 8.377 8.240 0.145 0.000 0.440 49 V N 5.882 125.856 119.914 0.100 0.000 2.378 49 V HA 0.289 4.442 4.120 0.055 0.000 0.288 49 V C -1.427 174.683 176.094 0.025 0.000 1.016 49 V CA -1.632 60.669 62.300 0.001 0.000 0.840 49 V CB 1.143 32.811 31.823 -0.258 0.000 0.994 49 V HN 0.822 9.113 8.190 0.169 0.000 0.431 50 N N 8.682 127.402 118.700 0.034 0.000 2.776 50 N HA -0.313 4.446 4.740 0.032 0.000 0.250 50 N C -0.578 174.964 175.510 0.054 0.000 1.112 50 N CA 0.301 53.373 53.050 0.038 0.000 0.733 50 N CB -1.148 37.357 38.487 0.031 0.000 1.097 50 N HN 0.900 9.303 8.380 0.039 0.000 0.558 51 G N -6.415 102.422 108.800 0.063 0.000 2.205 51 G HA2 -0.460 3.535 3.960 0.060 0.000 0.261 51 G HA3 -0.460 3.530 3.960 0.050 0.000 0.261 51 G C -1.119 173.828 174.900 0.078 0.000 0.980 51 G CA -0.018 45.120 45.100 0.062 0.000 0.632 51 G HN -0.012 8.287 8.290 0.065 0.029 0.533 52 Q N 1.444 121.311 119.800 0.112 0.000 2.267 52 Q HA 0.055 4.445 4.340 0.083 0.000 0.255 52 Q C -0.896 175.234 176.000 0.217 0.000 0.923 52 Q CA -0.690 55.200 55.803 0.145 0.000 0.925 52 Q CB 1.482 30.344 28.738 0.207 0.000 1.195 52 Q HN -0.465 7.654 8.270 0.112 0.218 0.417 53 E N 4.973 125.229 120.200 0.094 0.000 2.366 53 E HA -0.067 4.376 4.350 0.155 0.000 0.266 53 E C -0.841 175.762 176.600 0.005 0.000 1.051 53 E CA 0.689 57.121 56.400 0.054 0.000 0.884 53 E CB 1.108 30.743 29.700 -0.108 0.000 1.006 53 E HN 0.351 8.724 8.360 0.022 0.000 0.417 54 Y N 2.912 123.162 120.300 -0.082 0.000 2.354 54 Y HA 0.256 4.747 4.550 -0.099 0.000 0.330 54 Y C -1.886 174.102 175.900 0.146 0.000 1.011 54 Y CA -0.827 57.259 58.100 -0.024 0.000 1.099 54 Y CB 3.727 42.229 38.460 0.069 0.000 1.179 54 Y HN 0.720 9.158 8.280 0.263 0.000 0.442 55 H N 5.345 124.483 119.070 0.113 0.000 2.638 55 H HA 0.278 4.917 4.556 0.139 0.000 0.317 55 H C -1.847 173.551 175.328 0.116 0.000 1.006 55 H CA -1.442 54.670 56.048 0.108 0.000 1.222 55 H CB 1.663 31.452 29.762 0.046 0.000 1.419 55 H HN 0.442 8.690 8.280 -0.052 0.000 0.489 56 L N 4.173 125.566 121.223 0.284 0.000 2.346 56 L HA 0.907 5.610 4.340 0.176 -0.258 0.274 56 L C -1.576 175.401 176.870 0.178 0.000 1.007 56 L CA -1.471 53.500 54.840 0.218 0.000 0.818 56 L CB 3.971 46.183 42.059 0.255 0.000 1.284 56 L HN 0.332 8.745 8.230 0.304 0.000 0.424 57 Q N 1.191 121.069 119.800 0.130 0.000 2.292 57 Q HA 0.644 5.248 4.340 0.147 -0.175 0.270 57 Q C -1.498 174.557 176.000 0.093 0.000 1.024 57 Q CA -1.679 54.193 55.803 0.115 0.000 0.768 57 Q CB 2.504 31.288 28.738 0.078 0.000 1.250 57 Q HN 0.012 8.348 8.270 0.109 0.000 0.447 58 L N 2.058 123.356 121.223 0.125 0.000 2.333 58 L HA 0.997 5.573 4.340 0.026 -0.221 0.269 58 L C -1.512 175.432 176.870 0.123 0.000 1.010 58 L CA -2.271 52.613 54.840 0.072 0.000 0.818 58 L CB 2.271 44.335 42.059 0.009 0.000 1.306 58 L HN 0.283 8.626 8.230 0.189 0.000 0.430 59 V N 0.899 120.854 119.914 0.068 0.000 2.735 59 V HA 0.696 5.116 4.120 0.184 -0.190 0.310 59 V C -2.176 173.970 176.094 0.088 0.000 1.061 59 V CA -2.971 59.392 62.300 0.106 0.000 0.913 59 V CB 4.657 36.525 31.823 0.075 0.000 1.005 59 V HN -0.134 8.065 8.190 0.015 0.000 0.428 60 D N 6.978 127.444 120.400 0.111 0.000 2.462 60 D HA 0.405 5.099 4.640 0.090 0.000 0.245 60 D C -1.243 175.123 176.300 0.111 0.000 1.122 60 D CA -1.492 52.562 54.000 0.090 0.000 0.864 60 D CB 2.064 42.885 40.800 0.034 0.000 1.098 60 D HN 0.164 8.627 8.370 0.156 0.000 0.541 61 T N 1.485 116.141 114.554 0.170 0.000 2.883 61 T HA 0.363 4.755 4.350 0.069 0.000 0.296 61 T C -1.006 173.858 174.700 0.272 0.000 1.117 61 T CA -1.931 60.260 62.100 0.150 0.000 1.006 61 T CB 2.958 71.823 68.868 -0.005 0.000 1.191 61 T HN -0.207 8.173 8.240 0.234 0.000 0.508 62 A N 1.378 124.315 122.820 0.194 0.000 2.573 62 A HA 0.458 4.935 4.320 0.261 0.000 0.269 62 A C -0.366 177.317 177.584 0.164 0.000 0.901 62 A CA -1.114 51.037 52.037 0.190 0.000 1.066 62 A CB 0.420 19.459 19.000 0.066 0.000 1.221 62 A HN 0.573 8.774 8.150 0.085 0.000 0.483 63 G N 0.455 109.372 108.800 0.194 0.000 2.859 63 G HA2 -0.425 3.529 3.960 -0.009 0.000 0.236 63 G HA3 -0.425 3.624 3.960 0.149 0.000 0.236 63 G C 0.264 175.231 174.900 0.113 0.000 1.207 63 G CA 2.347 47.510 45.100 0.105 0.000 0.769 63 G HN -0.235 8.171 8.290 0.194 0.000 0.674 64 Q N -0.175 119.721 119.800 0.161 0.000 2.435 64 Q HA 0.091 4.469 4.340 0.063 0.000 0.180 64 Q C -0.164 175.878 176.000 0.071 0.000 0.699 64 Q CA -0.092 55.769 55.803 0.097 0.000 0.805 64 Q CB 1.780 30.588 28.738 0.117 0.000 1.157 64 Q HN -0.298 8.126 8.270 0.258 0.000 0.570 65 D N -0.302 120.144 120.400 0.078 0.000 2.414 65 D HA -0.057 4.607 4.640 0.040 0.000 0.259 65 D C 0.649 176.958 176.300 0.014 0.000 1.269 65 D CA -0.421 53.605 54.000 0.044 0.000 1.028 65 D CB 2.097 42.933 40.800 0.061 0.000 1.093 65 D HN -0.535 7.898 8.370 0.105 0.000 0.545 66 E N -3.823 116.388 120.200 0.019 0.000 2.339 66 E HA -0.315 4.012 4.350 -0.038 0.000 0.201 66 E C -0.686 175.972 176.600 0.097 0.000 1.015 66 E CA 2.527 58.948 56.400 0.035 0.000 0.841 66 E CB -0.288 29.475 29.700 0.106 0.000 0.754 66 E HN 0.499 8.881 8.360 0.037 0.000 0.508 67 Y N -7.384 112.803 120.300 -0.188 0.000 3.116 67 Y HA -0.011 4.256 4.550 -0.471 0.000 0.333 67 Y C -1.914 173.436 175.900 -0.917 0.000 0.935 67 Y CA -0.331 57.438 58.100 -0.551 0.000 1.105 67 Y CB 1.465 39.667 38.460 -0.430 0.000 1.406 67 Y HN -0.801 7.562 8.280 -0.033 -0.103 0.544 68 S N 0.565 115.848 115.700 -0.694 0.000 3.314 68 S HA -0.276 3.986 4.470 -0.347 0.000 0.833 68 S C -0.519 173.408 174.600 -1.121 0.000 1.013 68 S CA 1.814 59.636 58.200 -0.629 0.000 1.246 68 S CB 0.528 63.634 63.200 -0.156 0.000 1.104 68 S HN -0.596 7.633 8.310 -0.281 -0.088 0.378 69 I N 1.972 121.909 120.570 -1.054 0.000 2.585 69 I HA -0.128 3.811 4.170 -0.386 0.000 0.254 69 I C -0.473 175.290 176.117 -0.589 0.000 1.129 69 I CA 0.437 61.288 61.300 -0.748 0.000 1.455 69 I CB 0.453 38.044 38.000 -0.682 0.000 1.111 69 I HN 0.000 7.370 8.210 -1.400 0.000 0.433 70 F N -3.565 116.342 119.950 -0.073 0.000 2.406 70 F HA 0.113 4.634 4.527 -0.010 0.000 0.327 70 F C -1.552 174.233 175.800 -0.024 0.000 1.153 70 F CA -4.285 53.697 58.000 -0.030 0.000 1.218 70 F CB -1.513 37.475 39.000 -0.020 0.000 1.215 70 F HN -0.802 5.939 8.300 -2.598 0.000 0.570 71 P HA -0.139 4.339 4.420 0.098 0.000 0.257 71 P C -1.381 175.998 177.300 0.132 0.000 1.162 71 P CA 1.530 64.705 63.100 0.125 0.000 0.762 71 P CB -0.102 31.652 31.700 0.090 0.000 0.753 72 Q N 4.612 124.476 119.800 0.107 0.000 3.051 72 Q HA -0.003 4.362 4.340 0.043 0.000 0.235 72 Q C -1.076 174.897 176.000 -0.046 0.000 0.657 72 Q CA 0.665 56.515 55.803 0.078 0.000 1.017 72 Q CB -0.149 28.692 28.738 0.173 0.000 1.508 72 Q HN 0.048 8.376 8.270 0.097 0.000 0.357 73 T N -4.090 110.419 114.554 -0.075 0.000 7.013 73 T HA -0.344 3.939 4.350 -0.112 0.000 0.288 73 T C -0.281 174.272 174.700 -0.246 0.000 2.146 73 T CA 1.808 63.800 62.100 -0.179 0.000 3.498 73 T CB -1.213 67.494 68.868 -0.268 0.000 1.517 73 T HN 0.271 8.498 8.240 -0.022 0.000 1.113 74 Y N -1.091 119.170 120.300 -0.065 0.000 2.461 74 Y HA -0.004 4.532 4.550 -0.023 0.000 0.277 74 Y C 0.171 176.061 175.900 -0.018 0.000 1.182 74 Y CA -0.219 57.842 58.100 -0.065 0.000 1.276 74 Y CB -0.471 37.839 38.460 -0.251 0.000 1.087 74 Y HN 0.220 8.489 8.280 0.038 0.034 0.519 75 S N -0.291 115.461 115.700 0.088 0.000 2.840 75 S HA -0.107 4.414 4.470 0.085 0.000 0.235 75 S C 0.323 174.948 174.600 0.042 0.000 0.968 75 S CA 0.064 58.303 58.200 0.065 0.000 1.026 75 S CB -1.450 61.774 63.200 0.040 0.000 0.788 75 S HN -0.218 8.021 8.310 0.039 0.094 0.487 76 I N -0.948 119.649 120.570 0.046 0.000 3.478 76 I HA -0.125 4.047 4.170 0.003 0.000 0.206 76 I C 0.123 176.247 176.117 0.013 0.000 1.374 76 I CA 0.919 62.230 61.300 0.018 0.000 0.959 76 I CB 0.262 38.272 38.000 0.017 0.000 1.603 76 I HN -0.579 7.539 8.210 0.079 0.140 0.910 77 D N -0.608 119.793 120.400 0.001 0.000 2.945 77 D HA 0.088 4.730 4.640 0.003 0.000 0.366 77 D C -0.786 175.508 176.300 -0.011 0.000 1.352 77 D CA -0.562 53.437 54.000 -0.001 0.000 0.810 77 D CB -1.410 39.390 40.800 0.001 0.000 1.170 77 D HN 0.077 8.445 8.370 -0.003 0.000 0.461 78 I N -4.567 115.987 120.570 -0.027 0.000 3.468 78 I HA -0.062 4.091 4.170 -0.029 0.000 0.276 78 I C -1.862 174.233 176.117 -0.038 0.000 1.182 78 I CA -0.149 61.125 61.300 -0.044 0.000 0.881 78 I CB 0.942 38.883 38.000 -0.099 0.000 1.609 78 I HN -0.731 7.461 8.210 -0.030 0.000 0.780 79 N N -1.163 117.514 118.700 -0.039 0.000 2.162 79 N HA 0.202 4.933 4.740 -0.016 0.000 0.232 79 N C -1.356 174.145 175.510 -0.015 0.000 1.361 79 N CA -0.042 52.997 53.050 -0.019 0.000 0.786 79 N CB 3.485 41.969 38.487 -0.005 0.000 1.290 79 N HN -0.110 8.241 8.380 -0.048 0.000 0.505 80 G N -2.745 106.026 108.800 -0.049 0.000 2.695 80 G HA2 0.340 4.424 3.960 0.011 0.000 0.290 80 G HA3 0.340 4.303 3.960 -0.017 -0.014 0.290 80 G C -2.830 172.021 174.900 -0.082 0.000 1.410 80 G CA -0.152 44.931 45.100 -0.028 0.000 0.844 80 G HN -0.444 7.792 8.290 -0.090 0.000 0.478 81 Y N 0.431 120.665 120.300 -0.109 0.000 2.358 81 Y HA 0.262 4.909 4.550 -0.164 -0.196 0.324 81 Y C -2.662 173.139 175.900 -0.165 0.000 1.123 81 Y CA -0.762 57.234 58.100 -0.174 0.000 1.067 81 Y CB 4.087 42.383 38.460 -0.273 0.000 1.230 81 Y HN 0.016 8.334 8.280 0.065 0.000 0.429 82 I N 6.910 127.584 120.570 0.173 0.000 2.466 82 I HA 0.616 4.968 4.170 -0.013 -0.190 0.279 82 I C -2.614 173.510 176.117 0.012 0.000 1.033 82 I CA -2.091 59.220 61.300 0.017 0.000 1.123 82 I CB 2.552 40.505 38.000 -0.079 0.000 1.237 82 I HN 1.027 9.245 8.210 0.211 0.119 0.460 83 L N 7.474 128.666 121.223 -0.052 0.000 2.275 83 L HA 0.441 4.861 4.340 -0.038 -0.103 0.288 83 L C -1.431 175.424 176.870 -0.026 0.000 1.046 83 L CA -1.574 53.227 54.840 -0.066 0.000 0.805 83 L CB 0.287 42.246 42.059 -0.166 0.000 1.193 83 L HN 0.244 8.428 8.230 -0.077 0.000 0.426 84 V N 4.337 124.236 119.914 -0.024 0.000 2.364 84 V HA 0.565 4.865 4.120 -0.120 -0.252 0.272 84 V C -0.743 175.356 176.094 0.008 0.000 1.036 84 V CA -0.989 61.273 62.300 -0.064 0.000 0.880 84 V CB 1.145 32.914 31.823 -0.091 0.000 0.991 84 V HN 0.178 8.251 8.190 -0.013 0.110 0.460 85 Y N 6.831 127.104 120.300 -0.045 0.000 2.420 85 Y HA 0.257 4.832 4.550 0.043 0.000 0.334 85 Y C -2.579 173.324 175.900 0.005 0.000 1.094 85 Y CA -2.890 55.216 58.100 0.011 0.000 1.126 85 Y CB 2.151 40.635 38.460 0.040 0.000 1.217 85 Y HN 0.881 9.028 8.280 -0.222 0.000 0.462 86 S N 0.539 116.316 115.700 0.128 0.000 2.525 86 S HA 0.334 4.705 4.470 -0.164 0.000 0.290 86 S C 1.295 176.022 174.600 0.212 0.000 1.152 86 S CA -2.446 55.771 58.200 0.027 0.000 1.072 86 S CB 2.550 65.777 63.200 0.046 0.000 1.027 86 S HN 0.271 8.736 8.310 0.258 0.000 0.500 87 V N -3.173 116.814 119.914 0.122 0.000 3.544 87 V HA 0.179 4.486 4.120 0.311 0.000 0.304 87 V C -0.613 175.568 176.094 0.146 0.000 1.256 87 V CA 0.600 63.022 62.300 0.204 0.000 1.232 87 V CB -1.154 30.778 31.823 0.181 0.000 1.065 87 V HN 0.515 8.710 8.190 0.007 0.000 0.423 88 T N 0.310 114.941 114.554 0.128 0.000 3.073 88 T HA 0.176 4.579 4.350 0.089 0.000 0.264 88 T C -0.976 173.772 174.700 0.080 0.000 0.893 88 T CA 0.765 62.920 62.100 0.092 0.000 0.863 88 T CB 1.308 70.214 68.868 0.063 0.000 1.247 88 T HN 0.012 8.200 8.240 0.135 0.133 0.546 89 S N 3.260 119.011 115.700 0.085 0.000 2.505 89 S HA 0.385 4.843 4.470 -0.021 0.000 0.280 89 S C 0.251 174.855 174.600 0.005 0.000 1.197 89 S CA -2.774 55.424 58.200 -0.003 0.000 1.138 89 S CB 0.048 63.192 63.200 -0.094 0.000 1.010 89 S HN 0.338 8.721 8.310 0.122 0.000 0.480 90 I N 7.051 127.635 120.570 0.022 0.000 2.761 90 I HA -0.407 3.883 4.170 0.200 0.000 0.266 90 I C 1.156 177.030 176.117 -0.404 0.000 1.239 90 I CA 1.347 62.614 61.300 -0.054 0.000 1.451 90 I CB -1.376 36.618 38.000 -0.010 0.000 1.096 90 I HN 0.579 8.806 8.210 0.028 0.000 0.465 91 K N -1.309 118.869 120.400 -0.371 0.000 2.044 91 K HA -0.158 3.889 4.320 -0.455 0.000 0.204 91 K C 2.221 178.414 176.600 -0.678 0.000 1.049 91 K CA 3.178 59.120 56.287 -0.575 0.000 0.945 91 K CB -0.197 31.843 32.500 -0.766 0.000 0.724 91 K HN -0.526 7.470 8.250 -0.276 0.089 0.440 92 S N 1.094 116.453 115.700 -0.569 0.000 2.356 92 S HA -0.266 4.055 4.470 -0.249 0.000 0.223 92 S C 1.898 176.492 174.600 -0.010 0.000 1.032 92 S CA 3.410 61.467 58.200 -0.238 0.000 1.005 92 S CB -0.156 63.030 63.200 -0.024 0.000 0.867 92 S HN -0.059 7.872 8.310 -0.475 0.095 0.449 93 F N 1.513 121.459 119.950 -0.007 0.000 2.234 93 F HA -0.132 4.439 4.527 0.072 0.000 0.296 93 F C 1.046 176.837 175.800 -0.015 0.000 1.089 93 F CA 1.490 59.502 58.000 0.020 0.000 1.343 93 F CB -0.424 38.568 39.000 -0.013 0.000 1.040 93 F HN -0.486 7.880 8.300 0.110 0.000 0.498 94 E N 0.449 119.975 120.200 -1.123 0.000 2.072 94 E HA -0.338 3.607 4.350 -0.674 0.000 0.191 94 E C 2.419 178.858 176.600 -0.268 0.000 0.985 94 E CA 3.024 58.956 56.400 -0.781 0.000 0.801 94 E CB 0.096 29.327 29.700 -0.781 0.000 0.750 94 E HN -0.588 6.994 8.360 -1.298 0.000 0.452 95 V N -2.545 117.249 119.914 -0.201 0.000 2.427 95 V HA -0.320 3.774 4.120 -0.042 0.000 0.248 95 V C 1.357 177.443 176.094 -0.014 0.000 1.051 95 V CA 2.969 65.241 62.300 -0.047 0.000 1.048 95 V CB -1.168 30.697 31.823 0.070 0.000 0.666 95 V HN -0.203 7.816 8.190 -0.284 0.000 0.456 96 I N 0.819 121.390 120.570 0.002 0.000 2.264 96 I HA -0.617 3.524 4.170 -0.048 0.000 0.248 96 I C 1.781 177.905 176.117 0.011 0.000 1.111 96 I CA 4.440 65.741 61.300 0.001 0.000 1.382 96 I CB -0.432 37.608 38.000 0.065 0.000 1.060 96 I HN -0.677 7.528 8.210 -0.008 0.000 0.418 97 K N -0.642 119.800 120.400 0.071 0.000 2.211 97 K HA -0.304 4.134 4.320 0.197 0.000 0.203 97 K C 1.800 178.437 176.600 0.061 0.000 1.050 97 K CA 3.362 59.727 56.287 0.131 0.000 0.945 97 K CB -0.155 32.453 32.500 0.181 0.000 0.732 97 K HN -0.538 7.648 8.250 0.056 0.098 0.451 98 V N 0.517 120.436 119.914 0.008 0.000 2.249 98 V HA -0.342 3.781 4.120 0.006 0.000 0.239 98 V C 2.091 178.160 176.094 -0.042 0.000 1.038 98 V CA 3.704 65.999 62.300 -0.009 0.000 1.005 98 V CB -0.293 31.523 31.823 -0.011 0.000 0.646 98 V HN -0.915 7.112 8.190 -0.007 0.159 0.455 99 I N -1.084 119.452 120.570 -0.057 0.000 2.229 99 I HA -0.606 3.525 4.170 -0.064 0.000 0.250 99 I C 1.757 177.765 176.117 -0.181 0.000 1.096 99 I CA 3.710 64.951 61.300 -0.099 0.000 1.358 99 I CB -0.820 37.113 38.000 -0.112 0.000 1.047 99 I HN 0.160 8.348 8.210 -0.037 0.000 0.422 100 H N -0.526 118.323 119.070 -0.369 0.000 2.256 100 H HA -0.387 3.778 4.556 -0.653 0.000 0.299 100 H C 1.997 177.005 175.328 -0.533 0.000 1.071 100 H CA 3.274 58.983 56.048 -0.565 0.000 1.280 100 H CB 0.317 29.681 29.762 -0.664 0.000 1.370 100 H HN -0.434 7.765 8.280 -0.110 0.015 0.490 101 G N -1.799 106.825 108.800 -0.294 0.000 2.649 101 G HA2 -0.569 3.128 3.960 -0.438 0.000 0.220 101 G HA3 -0.569 3.347 3.960 -0.072 0.000 0.220 101 G C 1.239 176.052 174.900 -0.145 0.000 1.189 101 G CA 2.367 47.321 45.100 -0.243 0.000 0.777 101 G HN -0.278 7.903 8.290 -0.182 0.000 0.602 102 K N 1.872 122.217 120.400 -0.092 0.000 1.973 102 K HA -0.262 4.034 4.320 -0.039 0.000 0.212 102 K C 1.980 178.535 176.600 -0.074 0.000 1.047 102 K CA 1.994 58.242 56.287 -0.065 0.000 0.937 102 K CB -0.305 32.157 32.500 -0.064 0.000 0.721 102 K HN -0.577 7.623 8.250 -0.083 0.000 0.440 103 L N -0.607 120.562 121.223 -0.091 0.000 1.997 103 L HA -0.416 3.911 4.340 -0.022 0.000 0.227 103 L C 1.595 178.430 176.870 -0.057 0.000 1.087 103 L CA 3.749 58.550 54.840 -0.064 0.000 0.797 103 L CB -0.312 41.669 42.059 -0.129 0.000 0.902 103 L HN -0.250 7.917 8.230 -0.106 0.000 0.441 104 L N -2.179 118.988 121.223 -0.094 0.000 2.021 104 L HA -0.487 3.824 4.340 -0.048 0.000 0.215 104 L C 0.866 177.714 176.870 -0.037 0.000 1.074 104 L CA 4.089 58.882 54.840 -0.078 0.000 0.760 104 L CB -1.206 40.736 42.059 -0.195 0.000 0.889 104 L HN 0.438 8.595 8.230 -0.121 0.000 0.433 105 D N -3.005 117.370 120.400 -0.041 0.000 2.178 105 D HA -0.358 4.286 4.640 0.007 0.000 0.201 105 D C 1.785 178.087 176.300 0.003 0.000 0.980 105 D CA 3.008 57.004 54.000 -0.007 0.000 0.842 105 D CB -0.377 40.419 40.800 -0.006 0.000 0.948 105 D HN -0.291 7.952 8.370 -0.072 0.084 0.472 106 M N -0.641 118.957 119.600 -0.003 0.000 2.098 106 M HA -0.207 4.283 4.480 0.016 0.000 0.262 106 M C 2.202 178.514 176.300 0.019 0.000 1.072 106 M CA 2.688 57.995 55.300 0.010 0.000 1.133 106 M CB 0.682 33.285 32.600 0.004 0.000 1.344 106 M HN -0.408 7.715 8.290 -0.018 0.156 0.414 107 V N -6.936 112.989 119.914 0.019 0.000 2.871 107 V HA -0.124 4.013 4.120 0.028 0.000 0.256 107 V C 1.506 177.615 176.094 0.024 0.000 1.082 107 V CA 0.335 62.650 62.300 0.025 0.000 1.105 107 V CB -0.530 31.311 31.823 0.029 0.000 0.713 107 V HN -0.201 7.997 8.190 0.012 0.000 0.473 108 G N 1.176 109.989 108.800 0.022 0.000 2.416 108 G HA2 -0.467 3.555 3.960 0.029 0.000 0.301 108 G HA3 -0.467 3.509 3.960 0.027 0.000 0.301 108 G C -0.203 174.716 174.900 0.031 0.000 0.985 108 G CA 1.417 46.533 45.100 0.027 0.000 0.934 108 G HN -0.232 8.038 8.290 0.016 0.030 0.513 109 K N -1.366 119.053 120.400 0.032 0.000 2.836 109 K HA 0.055 4.393 4.320 0.031 0.000 0.300 109 K C -0.151 176.474 176.600 0.042 0.000 1.004 109 K CA -1.055 55.252 56.287 0.034 0.000 1.140 109 K CB 1.739 34.257 32.500 0.031 0.000 1.458 109 K HN -0.376 7.870 8.250 0.030 0.023 0.550 110 V N -0.307 119.632 119.914 0.042 0.000 3.503 110 V HA 0.176 4.327 4.120 0.052 0.000 0.294 110 V C -0.632 175.498 176.094 0.060 0.000 1.102 110 V CA -1.488 60.841 62.300 0.048 0.000 0.979 110 V CB 0.237 32.083 31.823 0.040 0.000 1.240 110 V HN -0.044 8.168 8.190 0.036 0.000 0.444 111 Q N 0.510 120.350 119.800 0.066 0.000 2.262 111 Q HA -0.065 4.337 4.340 0.102 0.000 0.272 111 Q C -0.607 175.434 176.000 0.067 0.000 1.076 111 Q CA 0.050 55.901 55.803 0.081 0.000 0.905 111 Q CB -0.587 28.199 28.738 0.080 0.000 1.182 111 Q HN 0.101 8.407 8.270 0.059 0.000 0.390 112 I N -0.247 120.365 120.570 0.070 0.000 2.693 112 I HA 0.346 4.545 4.170 0.048 0.000 0.303 112 I C -2.483 173.670 176.117 0.061 0.000 1.025 112 I CA -4.007 57.326 61.300 0.055 0.000 1.086 112 I CB 0.346 38.374 38.000 0.046 0.000 1.268 112 I HN -0.291 7.970 8.210 0.084 0.000 0.440 113 P HA -0.135 4.321 4.420 0.061 0.000 0.255 113 P C -1.853 175.479 177.300 0.053 0.000 1.173 113 P CA 0.567 63.700 63.100 0.055 0.000 0.780 113 P CB -0.704 31.026 31.700 0.050 0.000 0.758 114 I N 4.591 125.196 120.570 0.058 0.000 2.436 114 I HA 0.437 4.789 4.170 0.007 -0.178 0.289 114 I C -1.281 174.862 176.117 0.043 0.000 1.010 114 I CA -1.026 60.294 61.300 0.033 0.000 1.098 114 I CB 3.424 41.455 38.000 0.053 0.000 1.266 114 I HN -0.393 7.861 8.210 0.074 0.000 0.434 115 M N 7.320 126.925 119.600 0.008 0.000 2.142 115 M HA 0.446 4.941 4.480 0.025 0.000 0.299 115 M C -2.408 173.880 176.300 -0.020 0.000 0.960 115 M CA -1.201 54.099 55.300 0.000 0.000 0.920 115 M CB 3.434 36.017 32.600 -0.028 0.000 1.541 115 M HN 0.736 9.019 8.290 -0.011 0.000 0.429 116 L N 7.802 129.025 121.223 -0.000 0.000 2.288 116 L HA 0.353 4.845 4.340 0.012 -0.145 0.283 116 L C -1.629 175.174 176.870 -0.112 0.000 1.072 116 L CA -0.607 54.227 54.840 -0.010 0.000 0.862 116 L CB 0.404 42.484 42.059 0.034 0.000 1.245 116 L HN 0.879 9.126 8.230 0.029 0.000 0.432 117 V N 4.833 124.679 119.914 -0.113 0.000 2.427 117 V HA 0.549 4.696 4.120 -0.275 -0.192 0.286 117 V C -0.699 175.138 176.094 -0.428 0.000 1.034 117 V CA -1.086 61.075 62.300 -0.232 0.000 0.893 117 V CB 2.044 33.751 31.823 -0.194 0.000 0.982 117 V HN 0.058 8.203 8.190 -0.075 0.000 0.452 118 G N 5.546 113.940 108.800 -0.677 0.000 2.377 118 G HA2 0.309 3.140 3.960 -2.245 0.000 0.316 118 G HA3 0.309 3.404 3.960 -1.442 0.000 0.316 118 G C -2.573 171.933 174.900 -0.656 0.000 1.115 118 G CA -1.422 42.861 45.100 -1.361 0.000 0.952 118 G HN 1.171 9.033 8.290 -0.493 0.132 0.441 119 N N 5.351 123.727 118.700 -0.541 0.000 2.478 119 N HA 0.336 5.134 4.740 -0.237 -0.200 0.275 119 N C -0.638 174.745 175.510 -0.211 0.000 1.221 119 N CA -1.607 51.273 53.050 -0.284 0.000 0.979 119 N CB 2.840 41.206 38.487 -0.202 0.000 1.202 119 N HN -0.374 7.621 8.380 -0.642 0.000 0.564 120 K N -4.354 115.967 120.400 -0.132 0.000 3.393 120 K HA -0.381 3.896 4.320 -0.072 0.000 0.272 120 K C 0.060 176.624 176.600 -0.059 0.000 1.004 120 K CA 1.192 57.431 56.287 -0.080 0.000 0.764 120 K CB -2.727 29.742 32.500 -0.050 0.000 1.373 120 K HN 0.507 8.681 8.250 -0.125 0.000 0.458 121 K N 1.175 121.522 120.400 -0.089 0.000 2.097 121 K HA -0.357 3.927 4.320 -0.059 0.000 0.206 121 K C 1.168 177.740 176.600 -0.046 0.000 1.049 121 K CA 2.903 59.127 56.287 -0.104 0.000 0.933 121 K CB -0.163 32.224 32.500 -0.188 0.000 0.717 121 K HN 0.038 8.223 8.250 -0.110 0.000 0.442 122 D N -4.736 115.651 120.400 -0.022 0.000 2.351 122 D HA -0.203 4.484 4.640 0.077 0.000 0.216 122 D C 0.840 177.228 176.300 0.147 0.000 0.968 122 D CA 2.274 56.309 54.000 0.058 0.000 0.899 122 D CB -1.079 39.725 40.800 0.007 0.000 0.907 122 D HN 0.310 8.647 8.370 -0.056 0.000 0.514 123 L N -1.564 119.737 121.223 0.129 0.000 2.354 123 L HA 0.089 4.484 4.340 0.092 0.000 0.212 123 L C 1.004 177.973 176.870 0.166 0.000 1.091 123 L CA 0.894 55.804 54.840 0.117 0.000 0.828 123 L CB 0.208 42.310 42.059 0.071 0.000 0.973 123 L HN -0.484 7.605 8.230 0.087 0.193 0.461 124 H N -0.385 118.705 119.070 0.034 0.000 2.501 124 H HA -0.334 4.268 4.556 0.077 0.000 0.296 124 H C 0.815 176.175 175.328 0.053 0.000 1.115 124 H CA 2.184 58.268 56.048 0.061 0.000 1.242 124 H CB -0.546 29.262 29.762 0.076 0.000 1.363 124 H HN -0.298 8.040 8.280 0.305 0.125 0.537 125 M N -1.750 117.708 119.600 -0.238 0.000 2.331 125 M HA -0.272 3.817 4.480 -0.651 0.000 0.260 125 M C 0.916 177.096 176.300 -0.199 0.000 1.072 125 M CA 1.968 57.067 55.300 -0.335 0.000 1.065 125 M CB -0.191 32.378 32.600 -0.051 0.000 1.392 125 M HN -0.136 8.246 8.290 0.251 0.059 0.427 126 E N -2.799 117.346 120.200 -0.092 0.000 2.244 126 E HA -0.043 4.278 4.350 -0.048 0.000 0.196 126 E C -0.109 176.476 176.600 -0.024 0.000 0.939 126 E CA -0.169 56.208 56.400 -0.040 0.000 0.884 126 E CB 1.295 30.998 29.700 0.004 0.000 0.850 126 E HN 0.238 8.396 8.360 -0.043 0.177 0.481 127 R N -0.554 119.950 120.500 0.008 0.000 2.533 127 R HA -0.359 4.050 4.340 0.115 0.000 0.280 127 R C 0.646 176.973 176.300 0.044 0.000 0.989 127 R CA 0.708 56.842 56.100 0.057 0.000 0.864 127 R CB -1.532 28.796 30.300 0.046 0.000 2.274 127 R HN -0.558 7.635 8.270 0.020 0.089 0.522 128 V N -0.830 119.123 119.914 0.066 0.000 2.488 128 V HA -0.084 4.062 4.120 0.042 0.000 0.246 128 V C 0.453 176.562 176.094 0.024 0.000 1.046 128 V CA 1.703 64.038 62.300 0.058 0.000 1.053 128 V CB 0.619 32.499 31.823 0.094 0.000 0.679 128 V HN -0.129 8.117 8.190 0.093 0.000 0.458 129 I N 0.202 120.764 120.570 -0.013 0.000 2.577 129 I HA 0.060 4.066 4.170 -0.274 0.000 0.300 129 I C -0.567 175.462 176.117 -0.147 0.000 0.990 129 I CA -1.568 59.598 61.300 -0.224 0.000 1.283 129 I CB 2.062 39.765 38.000 -0.494 0.000 1.411 129 I HN -0.765 7.478 8.210 0.055 0.000 0.515 130 S N 6.082 121.655 115.700 -0.212 0.000 2.525 130 S HA 0.161 4.609 4.470 -0.035 0.000 0.278 130 S C 0.416 174.935 174.600 -0.134 0.000 1.234 130 S CA -0.960 57.173 58.200 -0.112 0.000 1.058 130 S CB 2.259 65.394 63.200 -0.107 0.000 0.983 130 S HN -0.072 8.249 8.310 -0.320 -0.203 0.495 131 Y N 7.689 127.882 120.300 -0.179 0.000 2.241 131 Y HA -0.490 3.821 4.550 -0.398 0.000 0.286 131 Y C 1.398 177.004 175.900 -0.489 0.000 1.166 131 Y CA 4.365 62.253 58.100 -0.354 0.000 1.203 131 Y CB -0.103 38.206 38.460 -0.253 0.000 0.977 131 Y HN 0.893 9.243 8.280 0.117 0.000 0.529 132 E N -1.519 118.636 120.200 -0.075 0.000 2.001 132 E HA -0.378 3.921 4.350 -0.086 0.000 0.193 132 E C 2.283 178.770 176.600 -0.189 0.000 0.994 132 E CA 3.823 60.154 56.400 -0.114 0.000 0.815 132 E CB -0.545 29.106 29.700 -0.082 0.000 0.770 132 E HN 0.157 8.474 8.360 -0.027 0.026 0.453 133 E N -0.119 119.970 120.200 -0.183 0.000 2.136 133 E HA -0.438 3.824 4.350 -0.147 0.000 0.202 133 E C 2.978 179.445 176.600 -0.222 0.000 1.019 133 E CA 2.723 59.008 56.400 -0.192 0.000 0.819 133 E CB -0.348 29.219 29.700 -0.221 0.000 0.739 133 E HN 0.095 8.359 8.360 -0.160 0.000 0.458 134 G N -2.936 105.683 108.800 -0.301 0.000 2.421 134 G HA2 -0.242 3.619 3.960 -0.164 0.000 0.217 134 G HA3 -0.242 3.612 3.960 -0.177 0.000 0.217 134 G C 0.490 175.267 174.900 -0.205 0.000 1.143 134 G CA 1.339 46.304 45.100 -0.225 0.000 0.784 134 G HN 0.075 8.149 8.290 -0.343 0.010 0.541 135 K N 2.989 123.145 120.400 -0.407 0.000 1.985 135 K HA -0.397 3.746 4.320 -0.295 0.000 0.210 135 K C 1.973 178.483 176.600 -0.150 0.000 1.047 135 K CA 3.357 59.471 56.287 -0.288 0.000 0.932 135 K CB -0.055 32.315 32.500 -0.217 0.000 0.716 135 K HN 0.041 7.780 8.250 -0.456 0.238 0.439 136 A N -0.770 121.956 122.820 -0.156 0.000 1.978 136 A HA -0.213 4.178 4.320 -0.145 -0.158 0.220 136 A C 2.514 179.975 177.584 -0.204 0.000 1.170 136 A CA 2.822 54.764 52.037 -0.158 0.000 0.636 136 A CB -0.799 18.113 19.000 -0.148 0.000 0.810 136 A HN 0.221 8.270 8.150 -0.168 0.000 0.448 137 L N -1.128 119.992 121.223 -0.171 0.000 1.973 137 L HA -0.418 3.728 4.340 -0.323 0.000 0.208 137 L C 1.650 178.411 176.870 -0.182 0.000 1.073 137 L CA 2.806 57.535 54.840 -0.185 0.000 0.746 137 L CB -0.077 41.973 42.059 -0.015 0.000 0.891 137 L HN -0.569 7.465 8.230 -0.143 0.110 0.433 138 A N -2.101 120.733 122.820 0.022 0.000 1.986 138 A HA -0.429 4.048 4.320 0.262 0.000 0.220 138 A C 1.567 179.165 177.584 0.023 0.000 1.171 138 A CA 3.148 55.259 52.037 0.124 0.000 0.640 138 A CB -0.736 18.380 19.000 0.192 0.000 0.811 138 A HN 0.165 8.342 8.150 0.045 0.000 0.451 139 E N -2.951 117.208 120.200 -0.067 0.000 2.150 139 E HA -0.301 4.032 4.350 -0.028 0.000 0.193 139 E C 2.011 178.506 176.600 -0.175 0.000 0.985 139 E CA 2.448 58.797 56.400 -0.085 0.000 0.814 139 E CB -0.088 29.558 29.700 -0.091 0.000 0.752 139 E HN 0.467 8.657 8.360 -0.083 0.120 0.466 140 S N 0.631 116.107 115.700 -0.374 0.000 2.356 140 S HA -0.187 4.025 4.470 -0.430 0.000 0.223 140 S C 1.195 175.478 174.600 -0.529 0.000 1.032 140 S CA 2.337 60.164 58.200 -0.622 0.000 1.005 140 S CB -0.226 62.305 63.200 -1.116 0.000 0.867 140 S HN -0.293 7.637 8.310 -0.385 0.149 0.449 141 W N -1.837 119.440 121.300 -0.039 0.000 3.139 141 W HA 0.142 4.783 4.660 -0.031 0.000 0.260 141 W C -0.528 176.012 176.519 0.035 0.000 1.312 141 W CA -0.543 56.799 57.345 -0.005 0.000 1.606 141 W CB 0.229 29.730 29.460 0.069 0.000 1.118 141 W HN -0.738 7.093 8.180 -0.582 0.000 0.675 142 N N -4.878 113.911 118.700 0.148 0.000 2.869 142 N HA -0.405 4.370 4.740 0.060 0.000 0.249 142 N C -1.368 174.228 175.510 0.143 0.000 1.104 142 N CA 0.779 53.896 53.050 0.111 0.000 0.760 142 N CB -0.367 38.182 38.487 0.103 0.000 1.108 142 N HN -0.490 7.798 8.380 0.039 0.115 0.555 143 A N -3.067 119.870 122.820 0.194 0.000 2.257 143 A HA 0.268 5.110 4.320 0.150 -0.432 0.289 143 A C -1.255 176.414 177.584 0.142 0.000 1.095 143 A CA -1.098 51.048 52.037 0.182 0.000 0.836 143 A CB 1.991 21.144 19.000 0.255 0.000 1.111 143 A HN 0.201 8.370 8.150 0.225 0.115 0.497 144 A N -1.401 121.491 122.820 0.120 0.000 2.304 144 A HA 0.372 4.775 4.320 0.139 0.000 0.323 144 A C -2.120 175.551 177.584 0.146 0.000 1.195 144 A CA -1.537 50.575 52.037 0.124 0.000 0.826 144 A CB 1.769 20.820 19.000 0.085 0.000 1.184 144 A HN -0.102 8.183 8.150 0.102 -0.073 0.496 145 F N 5.593 125.554 119.950 0.018 0.000 2.405 145 F HA 0.746 5.462 4.527 0.008 -0.184 0.355 145 F C -1.875 173.929 175.800 0.006 0.000 1.121 145 F CA -1.280 56.707 58.000 -0.021 0.000 1.112 145 F CB 1.734 40.650 39.000 -0.140 0.000 1.126 145 F HN 0.366 8.845 8.300 0.300 0.000 0.481 146 L N 7.017 128.038 121.223 -0.336 0.000 2.408 146 L HA 0.467 4.852 4.340 0.075 0.000 0.268 146 L C -2.186 174.499 176.870 -0.309 0.000 0.986 146 L CA -0.894 53.860 54.840 -0.144 0.000 0.820 146 L CB 4.753 46.771 42.059 -0.070 0.000 1.303 146 L HN 0.896 8.791 8.230 -0.558 0.000 0.411 147 E N 4.966 125.118 120.200 -0.081 0.000 2.220 147 E HA 0.459 4.833 4.350 -0.258 -0.179 0.256 147 E C -1.429 175.138 176.600 -0.056 0.000 0.881 147 E CA -1.135 55.210 56.400 -0.093 0.000 0.766 147 E CB 1.439 31.210 29.700 0.119 0.000 1.187 147 E HN 0.354 8.754 8.360 0.067 0.000 0.419 148 S N 6.340 121.971 115.700 -0.116 0.000 2.806 148 S HA 0.428 4.860 4.470 -0.064 0.000 0.306 148 S C -1.829 172.705 174.600 -0.109 0.000 1.167 148 S CA -1.352 56.800 58.200 -0.080 0.000 0.847 148 S CB 3.546 66.726 63.200 -0.032 0.000 1.216 148 S HN 0.923 9.018 8.310 -0.186 0.104 0.532 149 S N -2.040 113.606 115.700 -0.090 0.000 2.541 149 S HA 0.519 5.042 4.470 -0.111 -0.120 0.280 149 S C 0.439 174.981 174.600 -0.096 0.000 1.112 149 S CA -1.264 56.872 58.200 -0.106 0.000 0.925 149 S CB 3.692 66.817 63.200 -0.125 0.000 1.067 149 S HN -0.186 8.084 8.310 -0.067 0.000 0.479 150 A N 4.472 127.236 122.820 -0.093 0.000 1.908 150 A HA -0.303 4.013 4.320 -0.007 0.000 0.218 150 A C 0.164 177.636 177.584 -0.187 0.000 1.181 150 A CA 3.310 55.308 52.037 -0.064 0.000 0.627 150 A CB -0.307 18.676 19.000 -0.028 0.000 0.818 150 A HN 0.357 8.549 8.150 -0.094 -0.098 0.445 151 K N -4.718 115.465 120.400 -0.362 0.000 2.616 151 K HA -0.200 3.121 4.320 -1.666 0.000 0.192 151 K C -0.756 175.488 176.600 -0.592 0.000 1.031 151 K CA 0.654 56.442 56.287 -0.832 0.000 1.004 151 K CB -0.428 31.718 32.500 -0.588 0.000 0.810 151 K HN 0.078 8.177 8.250 -0.251 0.000 0.497 152 E N -1.416 118.623 120.200 -0.268 0.000 2.260 152 E HA 0.151 4.431 4.350 -0.116 0.000 0.266 152 E C -1.242 175.341 176.600 -0.027 0.000 0.887 152 E CA -1.065 55.261 56.400 -0.123 0.000 0.777 152 E CB 2.242 31.881 29.700 -0.102 0.000 1.205 152 E HN -0.422 7.555 8.360 -0.208 0.259 0.414 153 N N 7.088 125.802 118.700 0.023 0.000 2.132 153 N HA -0.271 4.734 4.740 0.049 -0.235 0.187 153 N C 1.909 177.428 175.510 0.016 0.000 1.038 153 N CA 3.917 56.989 53.050 0.037 0.000 0.846 153 N CB 0.275 38.790 38.487 0.047 0.000 1.012 153 N HN 0.567 8.967 8.380 0.034 0.000 0.429 154 Q N -0.146 119.660 119.800 0.010 0.000 2.065 154 Q HA -0.439 3.903 4.340 0.004 0.000 0.213 154 Q C 1.567 177.583 176.000 0.027 0.000 1.012 154 Q CA 4.398 60.208 55.803 0.011 0.000 0.876 154 Q CB -0.412 28.331 28.738 0.009 0.000 0.954 154 Q HN 0.310 8.588 8.270 0.013 0.000 0.413 155 T N -2.446 112.120 114.554 0.020 0.000 2.635 155 T HA -0.415 3.957 4.350 0.038 0.000 0.267 155 T C 1.603 176.346 174.700 0.072 0.000 1.040 155 T CA 3.277 65.396 62.100 0.031 0.000 1.156 155 T CB -1.190 67.676 68.868 -0.003 0.000 0.863 155 T HN -0.001 8.241 8.240 0.004 0.000 0.430 156 A N 1.725 124.594 122.820 0.082 0.000 1.859 156 A HA -0.335 4.112 4.320 0.211 0.000 0.218 156 A C 2.490 180.200 177.584 0.211 0.000 1.209 156 A CA 2.728 54.871 52.037 0.176 0.000 0.639 156 A CB -0.966 18.132 19.000 0.163 0.000 0.835 156 A HN -0.847 7.267 8.150 0.051 0.066 0.450 157 V N -0.668 119.296 119.914 0.083 0.000 2.250 157 V HA -0.589 3.503 4.120 -0.048 0.000 0.253 157 V C 1.928 178.175 176.094 0.255 0.000 1.065 157 V CA 3.787 66.126 62.300 0.066 0.000 1.039 157 V CB -1.253 30.556 31.823 -0.024 0.000 0.647 157 V HN 0.112 8.323 8.190 0.034 0.000 0.446 158 D N -1.539 118.967 120.400 0.176 0.000 2.190 158 D HA -0.262 4.480 4.640 0.169 0.000 0.200 158 D C 2.669 179.081 176.300 0.187 0.000 0.992 158 D CA 3.413 57.513 54.000 0.166 0.000 0.854 158 D CB -0.179 40.687 40.800 0.110 0.000 0.936 158 D HN -0.360 8.014 8.370 0.121 0.069 0.462 159 V N -2.316 117.734 119.914 0.228 0.000 2.719 159 V HA -0.272 3.924 4.120 0.126 0.000 0.252 159 V C 1.462 177.747 176.094 0.318 0.000 1.065 159 V CA 2.397 64.826 62.300 0.214 0.000 1.086 159 V CB -0.868 31.065 31.823 0.183 0.000 0.700 159 V HN 0.390 8.560 8.190 0.234 0.160 0.467 160 F N 2.073 122.222 119.950 0.332 0.000 2.206 160 F HA -0.262 4.633 4.527 0.614 0.000 0.298 160 F C 0.940 176.819 175.800 0.132 0.000 1.090 160 F CA 3.340 61.548 58.000 0.348 0.000 1.323 160 F CB 0.102 39.130 39.000 0.046 0.000 1.028 160 F HN -0.339 8.155 8.300 0.587 0.159 0.492 161 R N -0.010 120.278 120.500 -0.352 0.000 2.062 161 R HA -0.228 3.376 4.340 -1.227 0.000 0.226 161 R C 2.187 178.318 176.300 -0.281 0.000 1.125 161 R CA 3.401 59.160 56.100 -0.568 0.000 0.966 161 R CB 0.080 30.345 30.300 -0.058 0.000 0.861 161 R HN -0.274 8.171 8.270 0.292 0.000 0.433 162 R N -1.538 118.910 120.500 -0.086 0.000 2.105 162 R HA -0.311 4.008 4.340 -0.035 0.000 0.239 162 R C 2.300 178.567 176.300 -0.055 0.000 1.135 162 R CA 2.994 59.073 56.100 -0.036 0.000 0.967 162 R CB -0.435 29.885 30.300 0.034 0.000 0.861 162 R HN -0.318 7.949 8.270 -0.005 0.000 0.442 163 I N 0.884 121.414 120.570 -0.066 0.000 2.133 163 I HA -0.275 3.884 4.170 -0.018 0.000 0.238 163 I C 1.585 177.649 176.117 -0.088 0.000 1.074 163 I CA 2.884 64.154 61.300 -0.050 0.000 1.342 163 I CB 0.272 38.257 38.000 -0.024 0.000 1.053 163 I HN -0.523 7.642 8.210 -0.056 0.011 0.404 164 I N -0.891 119.555 120.570 -0.207 0.000 2.236 164 I HA -0.584 3.527 4.170 -0.099 0.000 0.249 164 I C 1.927 177.942 176.117 -0.170 0.000 1.102 164 I CA 3.561 64.709 61.300 -0.253 0.000 1.365 164 I CB -0.609 37.022 38.000 -0.615 0.000 1.051 164 I HN -0.685 7.347 8.210 -0.297 0.000 0.420 165 L N -0.768 120.356 121.223 -0.166 0.000 1.961 165 L HA -0.425 3.858 4.340 -0.095 0.000 0.210 165 L C 1.978 178.835 176.870 -0.022 0.000 1.072 165 L CA 3.314 58.101 54.840 -0.088 0.000 0.749 165 L CB -1.371 40.644 42.059 -0.074 0.000 0.889 165 L HN -0.192 7.813 8.230 -0.204 0.102 0.432 166 E N -1.090 119.106 120.200 -0.006 0.000 2.130 166 E HA -0.464 3.903 4.350 0.028 0.000 0.196 166 E C 2.157 178.780 176.600 0.038 0.000 0.998 166 E CA 3.221 59.636 56.400 0.025 0.000 0.806 166 E CB 0.078 29.801 29.700 0.037 0.000 0.738 166 E HN -0.544 7.805 8.360 -0.018 0.000 0.459 167 A N -2.303 120.540 122.820 0.037 0.000 1.958 167 A HA -0.409 3.950 4.320 0.066 0.000 0.221 167 A C 2.018 179.653 177.584 0.085 0.000 1.178 167 A CA 3.380 55.460 52.037 0.071 0.000 0.642 167 A CB -0.828 18.235 19.000 0.105 0.000 0.816 167 A HN 0.697 8.738 8.150 0.014 0.117 0.453 168 E N -1.716 118.531 120.200 0.078 0.000 2.028 168 E HA -0.331 4.085 4.350 0.110 0.000 0.191 168 E C 2.155 178.788 176.600 0.056 0.000 0.988 168 E CA 2.853 59.302 56.400 0.082 0.000 0.799 168 E CB -0.252 29.488 29.700 0.067 0.000 0.755 168 E HN -0.009 8.222 8.360 0.051 0.159 0.447 169 K N -0.320 120.106 120.400 0.044 0.000 1.987 169 K HA -0.366 3.975 4.320 0.035 0.000 0.216 169 K C 2.392 179.018 176.600 0.044 0.000 1.051 169 K CA 3.508 59.818 56.287 0.039 0.000 0.942 169 K CB -0.131 32.391 32.500 0.037 0.000 0.722 169 K HN -0.739 7.472 8.250 0.039 0.062 0.444 170 I N -3.140 117.460 120.570 0.051 0.000 2.300 170 I HA -0.382 3.822 4.170 0.056 0.000 0.252 170 I C 1.672 177.817 176.117 0.047 0.000 1.119 170 I CA 2.608 63.941 61.300 0.054 0.000 1.384 170 I CB -1.638 36.400 38.000 0.062 0.000 1.062 170 I HN 0.280 8.522 8.210 0.052 0.000 0.426 171 D N -0.221 120.206 120.400 0.046 0.000 2.144 171 D HA -0.256 4.404 4.640 0.032 0.000 0.200 171 D C 1.978 178.296 176.300 0.030 0.000 0.978 171 D CA 2.814 56.836 54.000 0.036 0.000 0.833 171 D CB -0.131 40.692 40.800 0.039 0.000 0.961 171 D HN -0.500 7.779 8.370 0.052 0.123 0.470 172 G N 0.267 109.086 108.800 0.032 0.000 2.432 172 G HA2 -0.315 3.659 3.960 0.023 0.000 0.219 172 G HA3 -0.315 3.661 3.960 0.027 0.000 0.219 172 G C 0.334 175.250 174.900 0.026 0.000 1.135 172 G CA 0.308 45.424 45.100 0.027 0.000 0.767 172 G HN -0.184 8.026 8.290 0.037 0.102 0.550 173 A N 2.212 125.050 122.820 0.031 0.000 1.822 173 A HA -0.137 4.200 4.320 0.028 0.000 0.214 173 A C 0.656 178.258 177.584 0.030 0.000 1.245 173 A CA 0.524 52.581 52.037 0.032 0.000 0.608 173 A CB 0.103 19.128 19.000 0.040 0.000 0.896 173 A HN -0.512 7.542 8.150 0.035 0.117 0.457 174 A N 0.000 122.840 122.820 0.033 0.000 2.254 174 A HA 0.000 4.339 4.320 0.031 0.000 0.244 174 A CA 0.000 52.055 52.037 0.029 0.000 0.836 174 A CB 0.000 19.018 19.000 0.030 0.000 0.831 174 A HN 0.000 8.173 8.150 0.038 0.000 0.486