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 1ag1_1_T DATA FIRST_RESID 2 DATA SEQUENCE SKPQPIAAAN WKCNGSQQSL SELIDLFNST SINHDVQCVV ASTFVHLAMT DATA SEQUENCE KERLSHPKFV IAAQNAIAKS GAFTGEVSLP ILKDFGVNWI VLGHSERRAY DATA SEQUENCE YGETNEIVAD KVAAAVASGF MVIACIGETL QERESGRTAV VVLTQIAAIA DATA SEQUENCE KKLKKADWAK VVIAYEPVWA IGTGKVATPQ QAQEAHALIR SWVSSKIGAD DATA SEQUENCE VAGELRILYG GSVNGKNART LYQQRDVNGF LVGGASLKPE FVDIIKATQ 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 2 S HA 0.000 4.470 4.470 0.000 0.000 0.327 2 S C 0.000 174.607 174.600 0.012 0.000 1.055 2 S CA 0.000 58.208 58.200 0.013 0.000 1.107 2 S CB 0.000 63.216 63.200 0.026 0.000 0.593 3 K N 1.505 121.919 120.400 0.024 0.000 2.123 3 K HA 0.607 4.928 4.320 0.001 0.000 0.248 3 K C -2.476 174.156 176.600 0.053 0.000 0.969 3 K CA -2.022 54.280 56.287 0.024 0.000 0.882 3 K CB 0.907 33.417 32.500 0.018 0.000 1.080 3 K HN 0.395 8.645 8.250 0.000 0.000 0.441 4 P HA -0.014 4.405 4.420 0.000 0.000 0.276 4 P C -1.208 176.149 177.300 0.096 0.000 1.252 4 P CA -0.505 62.637 63.100 0.070 0.000 0.802 4 P CB 0.414 32.155 31.700 0.069 0.000 1.035 5 Q N 2.190 122.043 119.800 0.088 0.000 2.264 5 Q HA 0.028 4.369 4.340 0.001 0.000 0.296 5 Q C -1.968 174.093 176.000 0.101 0.000 1.103 5 Q CA -1.112 54.744 55.803 0.088 0.000 0.967 5 Q CB -0.218 28.558 28.738 0.063 0.000 1.090 5 Q HN 0.247 8.517 8.270 0.000 0.000 0.379 6 P HA 0.131 4.551 4.420 0.000 0.000 0.272 6 P C -0.633 176.689 177.300 0.038 0.000 1.254 6 P CA 0.118 63.288 63.100 0.117 0.000 0.795 6 P CB 0.609 32.348 31.700 0.066 0.000 1.022 7 I N -0.535 120.057 120.570 0.036 0.000 2.619 7 I HA 0.536 4.706 4.170 0.001 0.000 0.292 7 I C -0.578 175.540 176.117 0.002 0.000 1.100 7 I CA -0.807 60.487 61.300 -0.010 0.000 1.043 7 I CB 2.236 40.263 38.000 0.045 0.000 1.239 7 I HN 0.257 8.467 8.210 0.000 0.000 0.420 8 A N 4.944 127.716 122.820 -0.080 0.000 2.545 8 A HA 0.849 5.169 4.320 0.001 0.000 0.300 8 A C -0.532 177.078 177.584 0.043 0.000 1.252 8 A CA -0.469 51.560 52.037 -0.013 0.000 0.753 8 A CB 0.747 19.617 19.000 -0.216 0.000 1.144 8 A HN 0.717 8.867 8.150 0.000 0.000 0.457 9 A N 1.836 124.722 122.820 0.111 0.000 2.276 9 A HA 0.732 5.052 4.320 0.001 0.000 0.316 9 A C 0.464 178.067 177.584 0.031 0.000 1.229 9 A CA 0.094 52.148 52.037 0.027 0.000 0.851 9 A CB 0.565 19.550 19.000 -0.025 0.000 1.165 9 A HN 1.923 10.073 8.150 0.000 0.000 0.513 10 A N 3.248 125.934 122.820 -0.222 0.000 2.310 10 A HA 0.479 4.799 4.320 0.001 0.000 0.300 10 A C 0.118 177.467 177.584 -0.391 0.000 1.269 10 A CA -0.478 51.257 52.037 -0.505 0.000 0.909 10 A CB -0.341 18.079 19.000 -0.966 0.000 1.144 10 A HN 0.758 8.908 8.150 0.000 0.000 0.540 11 N N 3.130 121.725 118.700 -0.175 0.000 2.527 11 N HA 0.152 4.892 4.740 0.001 0.000 0.236 11 N C 0.114 175.636 175.510 0.020 0.000 0.999 11 N CA -0.718 52.261 53.050 -0.118 0.000 0.935 11 N CB 0.196 38.650 38.487 -0.055 0.000 1.132 11 N HN 0.657 9.037 8.380 0.000 0.000 0.511 12 W N 3.505 124.750 121.300 -0.092 0.000 2.699 12 W HA 0.117 4.777 4.660 0.001 0.000 0.249 12 W C 1.001 177.478 176.519 -0.069 0.000 1.280 12 W CA -0.209 57.092 57.345 -0.074 0.000 1.345 12 W CB -0.610 28.817 29.460 -0.055 0.000 1.128 12 W HN 0.538 8.718 8.180 0.000 0.000 0.642 13 K N -1.210 119.248 120.400 0.095 0.000 2.009 13 K HA -0.349 3.971 4.320 0.001 0.000 0.262 13 K C 0.222 176.841 176.600 0.030 0.000 1.647 13 K CA 1.290 57.579 56.287 0.003 0.000 0.655 13 K CB -1.628 30.865 32.500 -0.012 0.000 0.797 13 K HN 0.043 8.293 8.250 0.000 0.000 0.855 14 C N 3.487 122.799 119.300 0.020 0.000 2.225 14 C HA 0.371 4.832 4.460 0.001 0.000 0.437 14 C C -0.774 174.238 174.990 0.037 0.000 1.039 14 C CA -0.243 58.790 59.018 0.024 0.000 1.406 14 C CB -2.139 25.614 27.740 0.021 0.000 1.548 14 C HN 0.416 8.646 8.230 0.000 0.000 0.515 15 N N 1.899 120.633 118.700 0.056 0.000 2.823 15 N HA 0.659 5.400 4.740 0.001 0.000 0.251 15 N C -0.428 175.089 175.510 0.011 0.000 1.392 15 N CA 0.475 53.538 53.050 0.022 0.000 0.864 15 N CB 1.948 40.422 38.487 -0.022 0.000 1.481 15 N HN 0.876 9.256 8.380 0.000 0.000 0.508 16 G N 0.093 108.858 108.800 -0.059 0.000 2.462 16 G HA2 0.148 4.108 3.960 0.001 0.000 0.685 16 G HA3 0.148 4.108 3.960 0.001 0.000 0.685 16 G C -1.171 173.666 174.900 -0.106 0.000 1.295 16 G CA -0.170 44.824 45.100 -0.177 0.000 0.941 16 G HN 1.106 9.396 8.290 0.000 0.000 0.554 17 S N -1.628 113.928 115.700 -0.241 0.000 2.651 17 S HA 0.653 5.123 4.470 0.001 0.000 0.279 17 S C 0.814 175.253 174.600 -0.268 0.000 1.148 17 S CA 0.206 58.315 58.200 -0.153 0.000 0.837 17 S CB 1.942 65.090 63.200 -0.086 0.000 1.138 17 S HN 0.902 9.212 8.310 0.000 0.000 0.478 18 Q N 0.339 120.050 119.800 -0.147 0.000 2.124 18 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 18 Q C 2.083 177.985 176.000 -0.164 0.000 0.977 18 Q CA 2.110 57.821 55.803 -0.153 0.000 0.850 18 Q CB -0.416 28.297 28.738 -0.041 0.000 0.901 18 Q HN 0.904 9.174 8.270 0.000 0.000 0.429 19 Q N 0.460 120.177 119.800 -0.138 0.000 2.062 19 Q HA -0.102 4.239 4.340 0.001 0.000 0.196 19 Q C 2.125 178.019 176.000 -0.178 0.000 0.967 19 Q CA 1.668 57.392 55.803 -0.132 0.000 0.832 19 Q CB -0.615 28.068 28.738 -0.093 0.000 0.899 19 Q HN 0.231 8.502 8.270 0.000 0.000 0.442 20 S N 1.397 116.974 115.700 -0.205 0.000 2.359 20 S HA -0.176 4.294 4.470 0.001 0.000 0.224 20 S C 2.029 176.421 174.600 -0.346 0.000 1.035 20 S CA 1.360 59.411 58.200 -0.248 0.000 1.018 20 S CB -0.818 62.236 63.200 -0.243 0.000 0.876 20 S HN 0.443 8.753 8.310 0.000 0.000 0.448 21 L N 1.358 122.315 121.223 -0.443 0.000 2.042 21 L HA -0.092 4.248 4.340 0.001 0.000 0.210 21 L C 3.034 179.682 176.870 -0.369 0.000 1.076 21 L CA 1.541 56.035 54.840 -0.576 0.000 0.749 21 L CB -0.983 40.672 42.059 -0.673 0.000 0.893 21 L HN 0.366 8.596 8.230 0.000 0.000 0.432 22 S N -0.371 115.176 115.700 -0.254 0.000 2.368 22 S HA -0.197 4.273 4.470 0.001 0.000 0.225 22 S C 1.768 176.254 174.600 -0.191 0.000 1.030 22 S CA 1.314 59.412 58.200 -0.171 0.000 0.999 22 S CB -0.222 62.905 63.200 -0.121 0.000 0.844 22 S HN 0.438 8.748 8.310 0.000 0.000 0.459 23 E N 1.099 121.174 120.200 -0.210 0.000 2.026 23 E HA -0.167 4.183 4.350 0.001 0.000 0.206 23 E C 2.050 178.485 176.600 -0.275 0.000 1.028 23 E CA 1.149 57.429 56.400 -0.200 0.000 0.845 23 E CB -0.308 29.278 29.700 -0.190 0.000 0.772 23 E HN 0.169 8.529 8.360 0.000 0.000 0.462 24 L N 0.916 121.903 121.223 -0.394 0.000 2.034 24 L HA -0.273 4.068 4.340 0.001 0.000 0.217 24 L C 2.355 178.680 176.870 -0.909 0.000 1.077 24 L CA 1.784 56.223 54.840 -0.667 0.000 0.769 24 L CB -0.956 40.682 42.059 -0.703 0.000 0.890 24 L HN 0.319 8.549 8.230 0.000 0.000 0.435 25 I N -0.590 119.662 120.570 -0.530 0.000 2.286 25 I HA -0.295 3.876 4.170 0.001 0.000 0.248 25 I C 2.088 178.098 176.117 -0.178 0.000 1.115 25 I CA 1.125 62.248 61.300 -0.295 0.000 1.392 25 I CB -0.371 37.569 38.000 -0.099 0.000 1.065 25 I HN 0.283 8.493 8.210 0.000 0.000 0.418 26 D N 0.815 121.116 120.400 -0.164 0.000 2.117 26 D HA -0.166 4.474 4.640 0.001 0.000 0.198 26 D C 2.032 178.302 176.300 -0.049 0.000 0.982 26 D CA 0.991 54.940 54.000 -0.085 0.000 0.828 26 D CB -0.369 40.386 40.800 -0.076 0.000 0.967 26 D HN 0.174 8.544 8.370 0.000 0.000 0.464 27 L N 0.499 121.665 121.223 -0.095 0.000 1.990 27 L HA -0.212 4.129 4.340 0.001 0.000 0.213 27 L C 2.115 179.108 176.870 0.205 0.000 1.072 27 L CA 1.685 56.531 54.840 0.010 0.000 0.755 27 L CB -0.762 41.263 42.059 -0.057 0.000 0.889 27 L HN -0.121 8.109 8.230 0.000 0.000 0.432 28 F N 0.147 120.102 119.950 0.008 0.000 2.134 28 F HA -0.183 4.344 4.527 0.000 0.000 0.299 28 F C 2.555 178.350 175.800 -0.009 0.000 1.097 28 F CA 1.187 59.160 58.000 -0.044 0.000 1.264 28 F CB -1.652 37.115 39.000 -0.388 0.000 1.001 28 F HN 0.269 8.569 8.300 0.000 0.000 0.479 29 N N -0.097 118.691 118.700 0.146 0.000 2.289 29 N HA -0.122 4.618 4.740 0.001 0.000 0.184 29 N C 1.804 177.346 175.510 0.054 0.000 1.016 29 N CA 1.167 54.261 53.050 0.073 0.000 0.872 29 N CB -0.327 38.164 38.487 0.008 0.000 0.973 29 N HN 0.099 8.479 8.380 0.000 0.000 0.433 30 S N -0.752 115.000 115.700 0.087 0.000 2.527 30 S HA 0.058 4.528 4.470 0.001 0.000 0.222 30 S C 0.762 175.425 174.600 0.106 0.000 0.985 30 S CA 0.193 58.431 58.200 0.064 0.000 0.921 30 S CB 0.205 63.440 63.200 0.059 0.000 0.772 30 S HN 0.238 8.548 8.310 0.000 0.000 0.529 31 T N 2.263 116.942 114.554 0.208 0.000 2.918 31 T HA 0.237 4.588 4.350 0.001 0.000 0.302 31 T C 0.060 174.912 174.700 0.254 0.000 1.045 31 T CA 0.288 62.533 62.100 0.242 0.000 1.114 31 T CB 0.962 70.013 68.868 0.305 0.000 0.965 31 T HN -0.017 8.223 8.240 0.000 0.000 0.540 32 S N 2.359 118.173 115.700 0.190 0.000 2.449 32 S HA 0.633 5.103 4.470 0.001 0.000 0.310 32 S C -0.344 174.356 174.600 0.167 0.000 1.096 32 S CA -0.843 57.457 58.200 0.168 0.000 1.095 32 S CB 0.237 63.492 63.200 0.092 0.000 1.007 32 S HN 0.615 8.925 8.310 0.000 0.000 0.474 33 I N 2.727 123.406 120.570 0.181 0.000 2.517 33 I HA 0.460 4.631 4.170 0.001 0.000 0.280 33 I C 0.124 176.275 176.117 0.056 0.000 1.061 33 I CA -0.911 60.437 61.300 0.080 0.000 1.091 33 I CB 1.445 39.404 38.000 -0.068 0.000 1.205 33 I HN 0.508 8.718 8.210 0.000 0.000 0.459 34 N N 4.367 123.130 118.700 0.106 0.000 2.354 34 N HA -0.111 4.629 4.740 0.001 0.000 0.179 34 N C 0.766 176.341 175.510 0.108 0.000 1.021 34 N CA 0.981 54.089 53.050 0.096 0.000 0.887 34 N CB -0.381 38.164 38.487 0.096 0.000 0.974 34 N HN 0.816 9.196 8.380 0.000 0.000 0.437 35 H N -0.719 118.343 119.070 -0.013 0.000 2.500 35 H HA 0.388 4.944 4.556 0.001 0.000 0.351 35 H C -0.995 174.313 175.328 -0.033 0.000 1.281 35 H CA -0.695 55.341 56.048 -0.021 0.000 1.368 35 H CB 0.260 30.004 29.762 -0.030 0.000 1.616 35 H HN -0.127 8.153 8.280 0.000 0.000 0.591 36 D N 0.518 120.906 120.400 -0.021 0.000 2.336 36 D HA 0.331 4.972 4.640 0.001 0.000 0.249 36 D C -0.990 175.226 176.300 -0.141 0.000 1.213 36 D CA -0.010 53.938 54.000 -0.087 0.000 0.870 36 D CB -0.040 40.768 40.800 0.013 0.000 1.076 36 D HN 0.409 8.779 8.370 0.000 0.000 0.483 37 V N 3.482 123.223 119.914 -0.287 0.000 3.077 37 V HA 0.371 4.491 4.120 0.001 0.000 0.299 37 V C -1.809 174.112 176.094 -0.289 0.000 1.276 37 V CA -0.771 61.359 62.300 -0.282 0.000 0.993 37 V CB 2.281 33.824 31.823 -0.467 0.000 1.076 37 V HN 0.489 8.679 8.190 0.000 0.000 0.434 38 Q N 4.654 124.311 119.800 -0.238 0.000 2.347 38 Q HA 0.618 4.959 4.340 0.001 0.000 0.262 38 Q C -0.988 174.752 176.000 -0.434 0.000 0.980 38 Q CA -0.194 55.438 55.803 -0.286 0.000 0.867 38 Q CB 1.222 29.862 28.738 -0.164 0.000 1.242 38 Q HN 0.909 9.179 8.270 0.000 0.000 0.453 39 C N 3.130 122.049 119.300 -0.634 0.000 2.365 39 C HA 0.874 5.334 4.460 0.001 0.000 0.351 39 C C -0.315 174.311 174.990 -0.608 0.000 1.240 39 C CA -0.927 57.628 59.018 -0.772 0.000 2.062 39 C CB 0.528 27.411 27.740 -1.428 0.000 2.387 39 C HN 0.670 8.900 8.230 0.000 0.000 0.537 40 V N 2.599 122.250 119.914 -0.439 0.000 2.709 40 V HA 0.559 4.680 4.120 0.001 0.000 0.308 40 V C -0.545 175.381 176.094 -0.280 0.000 1.062 40 V CA -0.450 61.599 62.300 -0.418 0.000 0.901 40 V CB 1.924 33.435 31.823 -0.520 0.000 1.003 40 V HN 0.708 8.898 8.190 0.000 0.000 0.425 41 V N 3.438 123.188 119.914 -0.274 0.000 2.350 41 V HA 0.684 4.804 4.120 0.001 0.000 0.285 41 V C 0.346 176.161 176.094 -0.465 0.000 1.014 41 V CA -0.474 61.549 62.300 -0.462 0.000 0.831 41 V CB 1.586 33.124 31.823 -0.474 0.000 1.000 41 V HN 0.991 9.181 8.190 0.000 0.000 0.433 42 A N 4.331 126.846 122.820 -0.507 0.000 2.444 42 A HA 0.710 5.030 4.320 0.001 0.000 0.332 42 A C 0.516 177.921 177.584 -0.298 0.000 1.430 42 A CA -0.352 51.502 52.037 -0.305 0.000 0.975 42 A CB 0.202 19.083 19.000 -0.197 0.000 1.147 42 A HN 0.869 9.019 8.150 0.000 0.000 0.524 43 S N 1.557 117.156 115.700 -0.168 0.000 2.693 43 S HA 0.669 5.140 4.470 0.001 0.000 0.276 43 S C 0.601 175.233 174.600 0.053 0.000 1.192 43 S CA 0.003 58.291 58.200 0.146 0.000 0.994 43 S CB 0.682 64.076 63.200 0.324 0.000 1.012 43 S HN 1.119 9.429 8.310 0.000 0.000 0.550 44 T N -0.943 113.697 114.554 0.143 0.000 2.855 44 T HA 0.199 4.549 4.350 0.001 0.000 0.314 44 T C 0.617 175.257 174.700 -0.100 0.000 1.077 44 T CA -0.321 61.728 62.100 -0.084 0.000 1.095 44 T CB -0.358 68.471 68.868 -0.066 0.000 0.987 44 T HN 0.417 8.657 8.240 0.000 0.000 0.546 45 F N 0.670 120.597 119.950 -0.038 0.000 2.250 45 F HA -0.005 4.522 4.527 0.000 0.000 0.301 45 F C 2.577 178.312 175.800 -0.109 0.000 1.077 45 F CA 0.474 58.432 58.000 -0.071 0.000 1.348 45 F CB -1.061 37.875 39.000 -0.106 0.000 1.040 45 F HN 0.369 8.669 8.300 0.000 0.000 0.509 46 V N -0.829 119.095 119.914 0.017 0.000 2.515 46 V HA -0.265 3.855 4.120 0.001 0.000 0.250 46 V C 1.314 177.370 176.094 -0.063 0.000 1.058 46 V CA 1.891 64.123 62.300 -0.112 0.000 1.064 46 V CB -0.657 30.993 31.823 -0.288 0.000 0.675 46 V HN 0.446 8.636 8.190 0.000 0.000 0.461 47 H N -1.538 117.594 119.070 0.104 0.000 2.505 47 H HA 0.285 4.841 4.556 0.001 0.000 0.289 47 H C 1.734 177.161 175.328 0.164 0.000 1.052 47 H CA -0.279 55.843 56.048 0.124 0.000 1.156 47 H CB 0.209 30.054 29.762 0.137 0.000 1.507 47 H HN 0.289 8.569 8.280 0.000 0.000 0.548 48 L N 0.103 121.478 121.223 0.254 0.000 2.201 48 L HA -0.100 4.240 4.340 0.001 0.000 0.212 48 L C 2.587 179.690 176.870 0.389 0.000 1.105 48 L CA 0.760 55.775 54.840 0.292 0.000 0.775 48 L CB -0.270 41.959 42.059 0.283 0.000 0.913 48 L HN 0.436 8.666 8.230 0.000 0.000 0.440 49 A N 0.147 123.205 122.820 0.396 0.000 1.835 49 A HA -0.293 4.027 4.320 0.001 0.000 0.215 49 A C 2.349 180.069 177.584 0.227 0.000 1.199 49 A CA 1.974 54.246 52.037 0.393 0.000 0.615 49 A CB -0.623 18.585 19.000 0.346 0.000 0.838 49 A HN 0.357 8.507 8.150 0.000 0.000 0.444 50 M N -0.576 119.142 119.600 0.196 0.000 2.088 50 M HA -0.212 4.269 4.480 0.001 0.000 0.256 50 M C 2.193 178.567 176.300 0.124 0.000 1.071 50 M CA 2.580 57.962 55.300 0.137 0.000 1.097 50 M CB -0.583 32.098 32.600 0.135 0.000 1.315 50 M HN 0.482 8.772 8.290 0.000 0.000 0.406 51 T N 0.650 115.305 114.554 0.167 0.000 2.652 51 T HA -0.231 4.119 4.350 0.001 0.000 0.267 51 T C 1.681 176.446 174.700 0.110 0.000 1.039 51 T CA 1.998 64.191 62.100 0.154 0.000 1.153 51 T CB -0.428 68.553 68.868 0.188 0.000 0.863 51 T HN 0.484 8.724 8.240 0.000 0.000 0.428 52 K N 1.245 121.720 120.400 0.124 0.000 2.209 52 K HA -0.173 4.148 4.320 0.001 0.000 0.204 52 K C 2.262 178.890 176.600 0.046 0.000 1.048 52 K CA 1.673 58.009 56.287 0.082 0.000 0.940 52 K CB -0.072 32.482 32.500 0.091 0.000 0.729 52 K HN 0.617 8.867 8.250 0.000 0.000 0.451 53 E N 0.422 120.655 120.200 0.055 0.000 2.102 53 E HA -0.155 4.195 4.350 0.001 0.000 0.190 53 E C 2.195 178.811 176.600 0.027 0.000 0.971 53 E CA 0.196 56.615 56.400 0.031 0.000 0.821 53 E CB -0.137 29.582 29.700 0.031 0.000 0.777 53 E HN 0.236 8.596 8.360 0.000 0.000 0.460 54 R N 0.503 121.024 120.500 0.035 0.000 2.140 54 R HA 0.114 4.454 4.340 0.001 0.000 0.213 54 R C 0.920 177.230 176.300 0.018 0.000 1.059 54 R CA -0.084 56.028 56.100 0.020 0.000 1.000 54 R CB 0.054 30.361 30.300 0.011 0.000 0.910 54 R HN 0.228 8.498 8.270 0.000 0.000 0.455 55 L N 3.011 124.254 121.223 0.032 0.000 2.530 55 L HA 0.004 4.345 4.340 0.001 0.000 0.273 55 L C 0.535 177.423 176.870 0.030 0.000 1.141 55 L CA 0.902 55.754 54.840 0.021 0.000 0.905 55 L CB 1.109 43.189 42.059 0.034 0.000 1.202 55 L HN 0.275 8.505 8.230 0.000 0.000 0.473 56 S N 3.154 118.871 115.700 0.028 0.000 2.526 56 S HA 0.018 4.489 4.470 0.001 0.000 0.220 56 S C 0.817 175.469 174.600 0.087 0.000 1.017 56 S CA -0.306 57.919 58.200 0.042 0.000 0.930 56 S CB -0.129 63.078 63.200 0.012 0.000 0.856 56 S HN 0.746 9.056 8.310 0.000 0.000 0.497 57 H N 4.603 123.684 119.070 0.018 0.000 3.070 57 H HA 0.172 4.728 4.556 0.001 0.000 0.313 57 H C -1.702 173.712 175.328 0.143 0.000 0.997 57 H CA -0.874 55.233 56.048 0.098 0.000 1.438 57 H CB 1.296 31.159 29.762 0.168 0.000 1.455 57 H HN 0.170 8.450 8.280 0.000 0.000 0.575 58 P HA -0.051 4.369 4.420 0.000 0.000 0.226 58 P C 0.590 178.037 177.300 0.246 0.000 1.153 58 P CA 1.059 64.334 63.100 0.292 0.000 0.777 58 P CB 0.403 32.214 31.700 0.185 0.000 0.794 59 K N -1.439 119.125 120.400 0.273 0.000 2.404 59 K HA 0.153 4.473 4.320 0.001 0.000 0.194 59 K C 0.124 176.560 176.600 -0.274 0.000 1.023 59 K CA 0.095 56.303 56.287 -0.132 0.000 1.094 59 K CB 0.053 32.330 32.500 -0.371 0.000 0.841 59 K HN 0.172 8.422 8.250 0.000 0.000 0.523 60 F N 0.789 120.618 119.950 -0.203 0.000 2.470 60 F HA 0.279 4.806 4.527 0.000 0.000 0.329 60 F C 0.240 175.936 175.800 -0.175 0.000 1.072 60 F CA -1.196 56.676 58.000 -0.214 0.000 0.989 60 F CB 1.493 40.407 39.000 -0.143 0.000 1.193 60 F HN -0.309 7.991 8.300 0.000 0.000 0.481 61 V N 1.799 121.659 119.914 -0.091 0.000 2.962 61 V HA 0.640 4.761 4.120 0.001 0.000 0.313 61 V C -0.770 175.239 176.094 -0.141 0.000 1.099 61 V CA -1.028 61.182 62.300 -0.151 0.000 0.971 61 V CB 1.887 33.488 31.823 -0.370 0.000 1.028 61 V HN 0.678 8.868 8.190 0.000 0.000 0.430 62 I N 1.609 122.154 120.570 -0.042 0.000 2.499 62 I HA 0.934 5.104 4.170 0.001 0.000 0.296 62 I C -0.100 176.041 176.117 0.040 0.000 0.992 62 I CA -0.435 60.856 61.300 -0.015 0.000 1.297 62 I CB 1.000 39.020 38.000 0.033 0.000 1.410 62 I HN 1.197 9.407 8.210 0.000 0.000 0.507 63 A N 5.222 128.061 122.820 0.030 0.000 2.454 63 A HA 0.912 5.233 4.320 0.001 0.000 0.302 63 A C -0.495 177.143 177.584 0.091 0.000 1.079 63 A CA -0.349 51.770 52.037 0.136 0.000 0.731 63 A CB 1.308 20.357 19.000 0.082 0.000 1.299 63 A HN 1.277 9.427 8.150 0.000 0.000 0.413 64 A N -0.046 122.856 122.820 0.135 0.000 2.256 64 A HA 0.620 4.940 4.320 0.001 0.000 0.318 64 A C 0.344 177.876 177.584 -0.087 0.000 1.103 64 A CA -0.379 51.667 52.037 0.015 0.000 0.860 64 A CB 0.528 19.615 19.000 0.145 0.000 1.182 64 A HN 0.831 8.981 8.150 0.000 0.000 0.501 65 Q N -0.231 119.407 119.800 -0.271 0.000 2.319 65 Q HA 0.204 4.545 4.340 0.001 0.000 0.202 65 Q C 0.115 176.028 176.000 -0.144 0.000 0.896 65 Q CA 0.120 55.797 55.803 -0.211 0.000 0.942 65 Q CB 0.281 28.854 28.738 -0.275 0.000 1.083 65 Q HN 0.746 9.016 8.270 0.000 0.000 0.510 66 N N -1.206 117.438 118.700 -0.094 0.000 3.856 66 N HA 0.430 5.170 4.740 0.001 0.000 0.237 66 N C -2.119 173.480 175.510 0.147 0.000 1.351 66 N CA 0.198 53.257 53.050 0.014 0.000 0.805 66 N CB 0.777 39.275 38.487 0.019 0.000 1.487 66 N HN -0.012 8.368 8.380 0.000 0.000 0.431 67 A N 0.164 123.023 122.820 0.065 0.000 2.452 67 A HA 0.534 4.855 4.320 0.001 0.000 0.294 67 A C -1.741 175.791 177.584 -0.087 0.000 1.010 67 A CA -0.577 51.468 52.037 0.013 0.000 0.613 67 A CB 0.121 19.095 19.000 -0.045 0.000 1.363 67 A HN 0.700 8.850 8.150 0.000 0.000 0.463 68 I N -2.674 117.812 120.570 -0.140 0.000 2.910 68 I HA 0.817 4.987 4.170 0.001 0.000 0.310 68 I C 1.001 177.001 176.117 -0.195 0.000 1.043 68 I CA -0.497 60.684 61.300 -0.198 0.000 1.053 68 I CB 2.070 39.892 38.000 -0.295 0.000 1.242 68 I HN 0.928 9.138 8.210 0.000 0.000 0.452 69 A N 2.958 125.659 122.820 -0.199 0.000 1.930 69 A HA 0.105 4.426 4.320 0.001 0.000 0.217 69 A C 0.949 178.466 177.584 -0.111 0.000 1.175 69 A CA 1.149 53.096 52.037 -0.150 0.000 0.627 69 A CB -0.223 18.702 19.000 -0.126 0.000 0.815 69 A HN 0.775 8.925 8.150 0.000 0.000 0.443 70 K N -0.518 119.800 120.400 -0.138 0.000 2.426 70 K HA 0.509 4.830 4.320 0.001 0.000 0.251 70 K C -0.681 175.925 176.600 0.011 0.000 0.941 70 K CA -0.506 55.754 56.287 -0.045 0.000 0.808 70 K CB 2.119 34.616 32.500 -0.005 0.000 1.265 70 K HN 0.118 8.368 8.250 0.000 0.000 0.432 71 S N 0.346 116.089 115.700 0.071 0.000 2.589 71 S HA 0.638 5.108 4.470 0.001 0.000 0.265 71 S C 0.361 175.111 174.600 0.251 0.000 1.342 71 S CA 0.493 58.768 58.200 0.126 0.000 1.005 71 S CB 1.024 64.267 63.200 0.072 0.000 0.909 71 S HN 0.865 9.175 8.310 0.000 0.000 0.555 72 G N -0.184 108.758 108.800 0.237 0.000 2.334 72 G HA2 0.374 4.335 3.960 0.001 0.000 0.249 72 G HA3 0.374 4.335 3.960 0.001 0.000 0.249 72 G C -1.107 173.655 174.900 -0.230 0.000 1.327 72 G CA -0.305 44.846 45.100 0.085 0.000 0.979 72 G HN 1.020 9.310 8.290 0.000 0.000 0.471 73 A N 0.109 122.479 122.820 -0.751 0.000 3.056 73 A HA 0.685 5.006 4.320 0.001 0.000 0.274 73 A C -0.741 176.135 177.584 -1.181 0.000 1.661 73 A CA -0.058 51.524 52.037 -0.758 0.000 1.363 73 A CB -1.276 17.400 19.000 -0.540 0.000 1.139 73 A HN 0.965 9.115 8.150 0.000 0.000 0.598 74 F N 0.386 120.312 119.950 -0.041 0.000 2.769 74 F HA 0.212 4.739 4.527 0.001 0.000 0.358 74 F C 0.650 176.416 175.800 -0.057 0.000 1.285 74 F CA -0.615 57.359 58.000 -0.045 0.000 1.199 74 F CB 0.708 39.678 39.000 -0.049 0.000 1.558 74 F HN 0.126 8.426 8.300 0.000 0.000 0.583 75 T N 1.583 116.147 114.554 0.016 0.000 2.822 75 T HA 0.342 4.693 4.350 0.001 0.000 0.288 75 T C 1.147 175.849 174.700 0.003 0.000 0.991 75 T CA 1.835 63.930 62.100 -0.008 0.000 1.176 75 T CB 0.380 69.233 68.868 -0.025 0.000 0.951 75 T HN 1.042 9.282 8.240 0.000 0.000 0.526 76 G N 3.486 112.271 108.800 -0.026 0.000 2.279 76 G HA2 -0.167 3.794 3.960 0.001 0.000 0.223 76 G HA3 -0.167 3.794 3.960 0.001 0.000 0.223 76 G C 0.036 174.889 174.900 -0.078 0.000 1.015 76 G CA -0.431 44.644 45.100 -0.042 0.000 0.621 76 G HN 0.615 8.905 8.290 0.000 0.000 0.506 77 E N 0.093 120.256 120.200 -0.062 0.000 2.280 77 E HA 0.632 4.982 4.350 0.001 0.000 0.264 77 E C -0.287 176.174 176.600 -0.231 0.000 1.064 77 E CA -0.504 55.822 56.400 -0.123 0.000 0.900 77 E CB 2.300 31.971 29.700 -0.048 0.000 1.123 77 E HN 0.288 8.648 8.360 0.000 0.000 0.418 78 V N 1.360 121.051 119.914 -0.371 0.000 2.487 78 V HA 0.262 4.382 4.120 0.001 0.000 0.298 78 V C 0.154 176.105 176.094 -0.237 0.000 1.028 78 V CA -0.725 61.306 62.300 -0.448 0.000 0.860 78 V CB 1.584 32.791 31.823 -1.027 0.000 0.991 78 V HN 0.751 8.941 8.190 0.000 0.000 0.427 79 S N 4.465 120.077 115.700 -0.147 0.000 2.690 79 S HA 0.600 5.071 4.470 0.001 0.000 0.291 79 S C 0.970 175.545 174.600 -0.041 0.000 1.138 79 S CA -0.805 57.339 58.200 -0.093 0.000 1.013 79 S CB 1.358 64.528 63.200 -0.050 0.000 1.053 79 S HN 0.499 8.809 8.310 0.000 0.000 0.539 80 L N 0.467 121.656 121.223 -0.056 0.000 2.081 80 L HA -0.034 4.307 4.340 0.001 0.000 0.212 80 L C -0.779 176.208 176.870 0.195 0.000 1.080 80 L CA 1.305 56.144 54.840 -0.002 0.000 0.754 80 L CB -1.808 40.188 42.059 -0.106 0.000 0.893 80 L HN 0.512 8.742 8.230 0.000 0.000 0.433 81 P HA -0.140 4.280 4.420 0.000 0.000 0.216 81 P C 1.905 179.280 177.300 0.126 0.000 1.153 81 P CA 1.421 64.595 63.100 0.123 0.000 0.848 81 P CB 0.091 31.834 31.700 0.073 0.000 0.787 82 I N -1.329 119.294 120.570 0.088 0.000 2.286 82 I HA -0.221 3.950 4.170 0.001 0.000 0.248 82 I C 2.302 178.507 176.117 0.147 0.000 1.115 82 I CA 1.200 62.545 61.300 0.076 0.000 1.392 82 I CB -0.518 37.476 38.000 -0.009 0.000 1.065 82 I HN -0.118 8.092 8.210 0.000 0.000 0.418 83 L N 0.414 121.752 121.223 0.192 0.000 2.017 83 L HA -0.268 4.073 4.340 0.001 0.000 0.208 83 L C 2.616 179.691 176.870 0.341 0.000 1.073 83 L CA 1.609 56.643 54.840 0.323 0.000 0.745 83 L CB -0.622 41.706 42.059 0.448 0.000 0.894 83 L HN 0.234 8.464 8.230 0.000 0.000 0.432 84 K N 0.481 121.057 120.400 0.294 0.000 2.057 84 K HA -0.267 4.053 4.320 0.001 0.000 0.207 84 K C 1.766 178.413 176.600 0.079 0.000 1.049 84 K CA 2.113 58.443 56.287 0.072 0.000 0.931 84 K CB -0.108 32.430 32.500 0.063 0.000 0.714 84 K HN 0.256 8.506 8.250 0.000 0.000 0.440 85 D N -0.617 119.860 120.400 0.129 0.000 2.178 85 D HA -0.201 4.440 4.640 0.001 0.000 0.201 85 D C 1.437 177.834 176.300 0.161 0.000 0.980 85 D CA 0.842 54.912 54.000 0.116 0.000 0.842 85 D CB -0.082 40.790 40.800 0.119 0.000 0.948 85 D HN 0.245 8.615 8.370 0.000 0.000 0.472 86 F N -0.125 119.855 119.950 0.050 0.000 2.802 86 F HA 0.246 4.775 4.527 0.003 0.000 0.300 86 F C 1.772 177.602 175.800 0.049 0.000 1.168 86 F CA 0.911 58.945 58.000 0.056 0.000 1.433 86 F CB 0.272 39.322 39.000 0.083 0.000 1.115 86 F HN 0.150 8.450 8.300 0.000 0.000 0.582 87 G N 0.370 109.215 108.800 0.075 0.000 2.157 87 G HA2 -0.221 3.740 3.960 0.001 0.000 0.239 87 G HA3 -0.221 3.740 3.960 0.001 0.000 0.239 87 G C -0.134 174.802 174.900 0.060 0.000 0.982 87 G CA 0.172 45.271 45.100 -0.001 0.000 0.650 87 G HN 0.210 8.500 8.290 0.000 0.000 0.527 88 V N 1.305 121.304 119.914 0.141 0.000 2.439 88 V HA 0.460 4.581 4.120 0.001 0.000 0.282 88 V C 0.641 176.716 176.094 -0.032 0.000 1.039 88 V CA -0.398 62.013 62.300 0.185 0.000 0.913 88 V CB 1.632 33.665 31.823 0.349 0.000 0.983 88 V HN 0.300 8.490 8.190 0.000 0.000 0.460 89 N N 2.512 121.232 118.700 0.033 0.000 2.159 89 N HA 0.127 4.867 4.740 0.001 0.000 0.217 89 N C -0.725 174.858 175.510 0.123 0.000 1.223 89 N CA 0.100 53.028 53.050 -0.204 0.000 0.896 89 N CB 0.902 39.316 38.487 -0.123 0.000 1.064 89 N HN 0.633 9.013 8.380 0.000 0.000 0.518 90 W N 0.970 122.402 121.300 0.221 0.000 2.844 90 W HA 0.672 5.332 4.660 -0.001 0.000 0.340 90 W C -0.474 176.197 176.519 0.254 0.000 1.093 90 W CA -0.582 56.897 57.345 0.223 0.000 1.212 90 W CB 1.439 30.954 29.460 0.093 0.000 1.422 90 W HN -0.267 7.913 8.180 0.000 0.000 0.515 91 I N 1.565 122.361 120.570 0.377 0.000 2.841 91 I HA 0.563 4.734 4.170 0.001 0.000 0.298 91 I C -1.613 174.571 176.117 0.112 0.000 1.304 91 I CA -0.901 60.506 61.300 0.177 0.000 1.019 91 I CB 1.663 39.654 38.000 -0.016 0.000 1.282 91 I HN 0.086 8.296 8.210 0.000 0.000 0.432 92 V N 7.193 127.143 119.914 0.060 0.000 2.427 92 V HA 0.546 4.667 4.120 0.001 0.000 0.286 92 V C -0.229 175.871 176.094 0.010 0.000 1.034 92 V CA -0.406 61.923 62.300 0.048 0.000 0.893 92 V CB 1.301 33.148 31.823 0.040 0.000 0.982 92 V HN 0.479 8.669 8.190 0.000 0.000 0.452 93 L N 3.195 124.419 121.223 0.002 0.000 2.422 93 L HA 0.734 5.075 4.340 0.001 0.000 0.264 93 L C 0.877 177.737 176.870 -0.017 0.000 0.984 93 L CA -0.266 54.561 54.840 -0.022 0.000 0.819 93 L CB 2.131 44.151 42.059 -0.066 0.000 1.330 93 L HN 0.856 9.086 8.230 0.000 0.000 0.410 94 G N 0.309 109.101 108.800 -0.013 0.000 2.143 94 G HA2 -0.255 3.705 3.960 0.001 0.000 0.249 94 G HA3 -0.255 3.705 3.960 0.001 0.000 0.249 94 G C 0.328 175.196 174.900 -0.053 0.000 0.981 94 G CA -0.012 45.066 45.100 -0.036 0.000 0.665 94 G HN 0.784 9.074 8.290 0.000 0.000 0.528 95 H N 1.514 120.550 119.070 -0.057 0.000 3.140 95 H HA 0.158 4.714 4.556 0.001 0.000 0.316 95 H C 2.122 177.394 175.328 -0.093 0.000 0.986 95 H CA 1.307 57.313 56.048 -0.069 0.000 1.397 95 H CB 0.807 30.541 29.762 -0.046 0.000 1.377 95 H HN 0.459 8.739 8.280 0.000 0.000 0.585 96 S N 2.934 118.258 115.700 -0.627 0.000 2.440 96 S HA -0.186 4.284 4.470 0.001 0.000 0.238 96 S C 1.521 176.001 174.600 -0.202 0.000 1.010 96 S CA 1.523 59.525 58.200 -0.330 0.000 0.972 96 S CB -0.034 62.950 63.200 -0.360 0.000 0.774 96 S HN 0.748 9.058 8.310 0.000 0.000 0.501 97 E N 1.047 121.303 120.200 0.093 0.000 2.152 97 E HA 0.004 4.355 4.350 0.001 0.000 0.192 97 E C 2.545 179.065 176.600 -0.134 0.000 0.983 97 E CA 0.781 57.069 56.400 -0.187 0.000 0.818 97 E CB -0.022 29.745 29.700 0.112 0.000 0.758 97 E HN 0.539 8.899 8.360 0.000 0.000 0.467 98 R N 0.513 121.101 120.500 0.147 0.000 2.073 98 R HA 0.013 4.353 4.340 0.001 0.000 0.229 98 R C 2.308 178.658 176.300 0.084 0.000 1.120 98 R CA 0.768 57.034 56.100 0.277 0.000 0.967 98 R CB -0.252 30.186 30.300 0.230 0.000 0.862 98 R HN 0.095 8.365 8.270 0.000 0.000 0.436 99 R N 0.878 121.359 120.500 -0.031 0.000 2.070 99 R HA -0.076 4.265 4.340 0.001 0.000 0.232 99 R C 2.368 178.588 176.300 -0.134 0.000 1.138 99 R CA 1.680 57.736 56.100 -0.073 0.000 0.936 99 R CB -0.464 29.775 30.300 -0.101 0.000 0.839 99 R HN 0.197 8.467 8.270 0.000 0.000 0.429 100 A N -0.079 122.578 122.820 -0.272 0.000 2.014 100 A HA -0.111 4.209 4.320 0.001 0.000 0.218 100 A C 1.156 178.568 177.584 -0.286 0.000 1.163 100 A CA 1.112 52.958 52.037 -0.318 0.000 0.652 100 A CB -0.161 18.552 19.000 -0.478 0.000 0.808 100 A HN 0.361 8.511 8.150 0.000 0.000 0.449 101 Y N -3.673 116.457 120.300 -0.284 0.000 2.430 101 Y HA 0.259 4.810 4.550 0.001 0.000 0.254 101 Y C 0.329 175.782 175.900 -0.745 0.000 1.088 101 Y CA -0.762 57.000 58.100 -0.563 0.000 1.267 101 Y CB -0.015 37.847 38.460 -0.997 0.000 1.204 101 Y HN 0.338 8.618 8.280 0.000 0.000 0.515 102 Y N -0.279 120.108 120.300 0.144 0.000 2.736 102 Y HA 0.522 5.073 4.550 0.001 0.000 0.293 102 Y C 1.476 177.404 175.900 0.046 0.000 1.062 102 Y CA -1.091 57.065 58.100 0.093 0.000 1.247 102 Y CB 0.446 38.957 38.460 0.086 0.000 1.200 102 Y HN 0.158 8.438 8.280 0.000 0.000 0.552 103 G N 1.000 109.855 108.800 0.093 0.000 2.390 103 G HA2 -0.323 3.637 3.960 0.001 0.000 0.299 103 G HA3 -0.323 3.637 3.960 0.001 0.000 0.299 103 G C -0.114 174.814 174.900 0.047 0.000 1.002 103 G CA 0.133 45.266 45.100 0.056 0.000 0.979 103 G HN 0.546 8.836 8.290 0.000 0.000 0.513 104 E N 1.363 121.589 120.200 0.043 0.000 2.001 104 E HA 0.309 4.660 4.350 0.001 0.000 0.279 104 E C 1.205 177.800 176.600 -0.008 0.000 1.045 104 E CA 0.198 56.610 56.400 0.020 0.000 0.833 104 E CB 0.443 30.159 29.700 0.027 0.000 1.077 104 E HN 0.526 8.886 8.360 0.000 0.000 0.397 105 T N 0.402 114.950 114.554 -0.010 0.000 2.754 105 T HA 0.074 4.425 4.350 0.001 0.000 0.286 105 T C 1.162 175.844 174.700 -0.029 0.000 0.997 105 T CA -0.724 61.364 62.100 -0.019 0.000 0.982 105 T CB 0.657 69.517 68.868 -0.013 0.000 1.027 105 T HN 0.166 8.406 8.240 0.000 0.000 0.529 106 N N 1.130 119.810 118.700 -0.033 0.000 2.205 106 N HA -0.119 4.622 4.740 0.001 0.000 0.186 106 N C 1.846 177.334 175.510 -0.038 0.000 1.015 106 N CA 1.214 54.240 53.050 -0.041 0.000 0.862 106 N CB -0.311 38.151 38.487 -0.042 0.000 0.986 106 N HN 0.687 9.067 8.380 0.000 0.000 0.429 107 E N 0.821 121.003 120.200 -0.029 0.000 2.047 107 E HA -0.067 4.284 4.350 0.001 0.000 0.191 107 E C 2.207 178.786 176.600 -0.035 0.000 0.987 107 E CA 0.497 56.880 56.400 -0.027 0.000 0.799 107 E CB -0.527 29.162 29.700 -0.018 0.000 0.752 107 E HN 0.396 8.756 8.360 0.000 0.000 0.449 108 I N 1.371 121.922 120.570 -0.033 0.000 2.208 108 I HA -0.245 3.925 4.170 0.001 0.000 0.245 108 I C 2.518 178.605 176.117 -0.050 0.000 1.097 108 I CA 0.933 62.210 61.300 -0.039 0.000 1.363 108 I CB -0.228 37.756 38.000 -0.027 0.000 1.051 108 I HN -0.073 8.137 8.210 0.000 0.000 0.413 109 V N 0.924 120.809 119.914 -0.048 0.000 2.270 109 V HA -0.286 3.835 4.120 0.001 0.000 0.245 109 V C 2.740 178.791 176.094 -0.072 0.000 1.043 109 V CA 1.905 64.169 62.300 -0.059 0.000 1.014 109 V CB -1.125 30.663 31.823 -0.059 0.000 0.645 109 V HN 0.498 8.688 8.190 0.000 0.000 0.447 110 A N 0.109 122.889 122.820 -0.066 0.000 1.927 110 A HA -0.324 3.997 4.320 0.001 0.000 0.220 110 A C 1.991 179.529 177.584 -0.077 0.000 1.185 110 A CA 2.384 54.378 52.037 -0.071 0.000 0.639 110 A CB -0.712 18.258 19.000 -0.050 0.000 0.820 110 A HN 0.582 8.732 8.150 0.000 0.000 0.451 111 D N -0.431 119.929 120.400 -0.068 0.000 2.097 111 D HA -0.104 4.536 4.640 0.001 0.000 0.197 111 D C 1.996 178.243 176.300 -0.089 0.000 0.984 111 D CA 1.462 55.419 54.000 -0.070 0.000 0.826 111 D CB -0.319 40.444 40.800 -0.062 0.000 0.973 111 D HN 0.528 8.898 8.370 0.000 0.000 0.460 112 K N 0.555 120.897 120.400 -0.097 0.000 2.057 112 K HA -0.080 4.241 4.320 0.001 0.000 0.207 112 K C 2.260 178.779 176.600 -0.135 0.000 1.049 112 K CA 0.623 56.838 56.287 -0.120 0.000 0.931 112 K CB -0.215 32.217 32.500 -0.114 0.000 0.714 112 K HN -0.022 8.228 8.250 0.000 0.000 0.440 113 V N 1.635 121.473 119.914 -0.126 0.000 2.255 113 V HA -0.304 3.817 4.120 0.001 0.000 0.247 113 V C 2.436 178.444 176.094 -0.144 0.000 1.051 113 V CA 2.151 64.365 62.300 -0.144 0.000 1.018 113 V CB -0.781 30.951 31.823 -0.151 0.000 0.641 113 V HN 0.398 8.588 8.190 0.000 0.000 0.445 114 A N -0.090 122.654 122.820 -0.126 0.000 1.883 114 A HA -0.203 4.118 4.320 0.001 0.000 0.217 114 A C 2.429 179.960 177.584 -0.087 0.000 1.186 114 A CA 2.473 54.444 52.037 -0.109 0.000 0.624 114 A CB -0.937 18.013 19.000 -0.083 0.000 0.822 114 A HN 0.619 8.769 8.150 0.000 0.000 0.444 115 A N -0.313 122.454 122.820 -0.087 0.000 1.902 115 A HA 0.140 4.460 4.320 0.001 0.000 0.217 115 A C 2.513 180.054 177.584 -0.073 0.000 1.181 115 A CA 2.231 54.224 52.037 -0.074 0.000 0.623 115 A CB -1.026 17.920 19.000 -0.090 0.000 0.818 115 A HN 1.124 9.274 8.150 0.000 0.000 0.443 116 A N -0.626 122.119 122.820 -0.125 0.000 1.930 116 A HA 0.035 4.355 4.320 0.001 0.000 0.217 116 A C 2.213 179.799 177.584 0.004 0.000 1.175 116 A CA 1.711 53.658 52.037 -0.150 0.000 0.627 116 A CB -0.847 17.976 19.000 -0.295 0.000 0.815 116 A HN 0.389 8.539 8.150 0.000 0.000 0.443 117 V N -0.114 119.769 119.914 -0.052 0.000 2.343 117 V HA -0.236 3.884 4.120 0.001 0.000 0.247 117 V C 3.037 179.124 176.094 -0.012 0.000 1.051 117 V CA 1.879 64.149 62.300 -0.050 0.000 1.036 117 V CB -1.253 30.498 31.823 -0.121 0.000 0.654 117 V HN 0.598 8.788 8.190 0.000 0.000 0.451 118 A N -1.037 121.776 122.820 -0.012 0.000 1.972 118 A HA -0.196 4.125 4.320 0.001 0.000 0.219 118 A C 2.394 179.999 177.584 0.035 0.000 1.169 118 A CA 2.109 54.147 52.037 0.002 0.000 0.635 118 A CB -0.555 18.441 19.000 -0.006 0.000 0.810 118 A HN 0.454 8.604 8.150 0.000 0.000 0.446 119 S N -1.839 113.914 115.700 0.088 0.000 2.603 119 S HA 0.335 4.805 4.470 0.001 0.000 0.220 119 S C 1.225 175.901 174.600 0.127 0.000 0.967 119 S CA 0.952 59.240 58.200 0.146 0.000 0.920 119 S CB -0.218 63.165 63.200 0.304 0.000 0.773 119 S HN 1.663 9.973 8.310 0.000 0.000 0.529 120 G N 0.707 109.560 108.800 0.088 0.000 2.142 120 G HA2 -0.222 3.738 3.960 0.001 0.000 0.225 120 G HA3 -0.222 3.738 3.960 0.001 0.000 0.225 120 G C -0.111 174.764 174.900 -0.041 0.000 1.015 120 G CA -0.314 44.784 45.100 -0.004 0.000 0.716 120 G HN 0.388 8.678 8.290 0.000 0.000 0.508 121 F N -0.291 119.588 119.950 -0.119 0.000 2.408 121 F HA 0.776 5.304 4.527 0.003 0.000 0.325 121 F C 0.974 176.601 175.800 -0.288 0.000 1.082 121 F CA -1.050 56.850 58.000 -0.166 0.000 1.032 121 F CB 1.018 39.953 39.000 -0.109 0.000 1.259 121 F HN -0.067 8.233 8.300 0.000 0.000 0.503 122 M N 2.545 121.964 119.600 -0.302 0.000 2.080 122 M HA 0.326 4.806 4.480 0.001 0.000 0.350 122 M C -1.071 174.973 176.300 -0.427 0.000 1.173 122 M CA -0.412 54.470 55.300 -0.697 0.000 1.052 122 M CB 0.971 32.454 32.600 -1.862 0.000 1.577 122 M HN 0.139 8.429 8.290 0.000 0.000 0.455 123 V N 5.733 125.493 119.914 -0.256 0.000 2.459 123 V HA 0.475 4.596 4.120 0.001 0.000 0.295 123 V C 0.079 176.153 176.094 -0.033 0.000 1.029 123 V CA -0.671 61.569 62.300 -0.100 0.000 0.874 123 V CB 2.103 33.855 31.823 -0.119 0.000 0.985 123 V HN 0.663 8.853 8.190 0.000 0.000 0.438 124 I N 4.519 125.128 120.570 0.066 0.000 2.291 124 I HA 0.527 4.697 4.170 0.001 0.000 0.290 124 I C 0.607 176.739 176.117 0.025 0.000 1.050 124 I CA -0.036 61.318 61.300 0.090 0.000 1.245 124 I CB 1.116 39.214 38.000 0.163 0.000 1.405 124 I HN 0.697 8.907 8.210 0.000 0.000 0.478 125 A N 6.292 129.107 122.820 -0.008 0.000 2.290 125 A HA 0.551 4.871 4.320 0.001 0.000 0.310 125 A C -0.402 177.159 177.584 -0.038 0.000 1.202 125 A CA -0.409 51.605 52.037 -0.038 0.000 0.837 125 A CB 0.427 19.387 19.000 -0.066 0.000 1.139 125 A HN 0.777 8.927 8.150 0.000 0.000 0.509 126 C N 3.539 122.802 119.300 -0.062 0.000 2.307 126 C HA 0.678 5.139 4.460 0.001 0.000 0.340 126 C C 0.423 175.338 174.990 -0.125 0.000 1.275 126 C CA -0.535 58.417 59.018 -0.111 0.000 1.811 126 C CB -1.190 26.437 27.740 -0.189 0.000 2.372 126 C HN 0.740 8.970 8.230 0.000 0.000 0.531 127 I N 0.950 121.456 120.570 -0.107 0.000 2.892 127 I HA 1.041 5.211 4.170 0.001 0.000 0.306 127 I C -0.096 175.968 176.117 -0.088 0.000 1.078 127 I CA -0.436 60.819 61.300 -0.075 0.000 1.032 127 I CB 2.363 40.348 38.000 -0.025 0.000 1.229 127 I HN 0.795 9.005 8.210 0.000 0.000 0.435 128 G N 2.916 111.676 108.800 -0.067 0.000 2.358 128 G HA2 0.314 4.274 3.960 0.001 0.000 0.301 128 G HA3 0.314 4.274 3.960 0.001 0.000 0.301 128 G C -1.807 173.060 174.900 -0.055 0.000 1.539 128 G CA -0.671 44.361 45.100 -0.114 0.000 0.893 128 G HN 0.975 9.265 8.290 0.000 0.000 0.636 129 E N -0.119 120.098 120.200 0.028 0.000 2.283 129 E HA 0.652 5.002 4.350 0.001 0.000 0.267 129 E C 0.295 176.947 176.600 0.087 0.000 1.045 129 E CA -0.200 56.255 56.400 0.091 0.000 0.884 129 E CB 1.304 31.122 29.700 0.197 0.000 1.106 129 E HN 0.840 9.200 8.360 0.000 0.000 0.408 130 T N -0.336 114.290 114.554 0.120 0.000 2.934 130 T HA 0.185 4.535 4.350 0.001 0.000 0.283 130 T C 1.390 176.256 174.700 0.277 0.000 1.005 130 T CA -0.941 61.247 62.100 0.147 0.000 1.041 130 T CB 0.912 69.823 68.868 0.072 0.000 1.042 130 T HN 0.498 8.738 8.240 0.000 0.000 0.505 131 L N 0.725 122.135 121.223 0.313 0.000 2.064 131 L HA -0.199 4.142 4.340 0.001 0.000 0.216 131 L C 2.638 179.554 176.870 0.077 0.000 1.077 131 L CA 2.295 57.260 54.840 0.209 0.000 0.766 131 L CB -0.804 41.347 42.059 0.153 0.000 0.890 131 L HN 0.967 9.197 8.230 0.000 0.000 0.435 132 Q N 0.231 120.077 119.800 0.076 0.000 2.167 132 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 132 Q C 1.785 177.811 176.000 0.042 0.000 0.970 132 Q CA 1.798 57.626 55.803 0.042 0.000 0.855 132 Q CB 0.041 28.802 28.738 0.038 0.000 0.911 132 Q HN 0.681 8.951 8.270 0.000 0.000 0.438 133 E N 0.105 120.347 120.200 0.069 0.000 2.076 133 E HA -0.127 4.224 4.350 0.001 0.000 0.190 133 E C 2.156 178.798 176.600 0.069 0.000 0.979 133 E CA 0.704 57.143 56.400 0.065 0.000 0.807 133 E CB -0.146 29.598 29.700 0.074 0.000 0.761 133 E HN 0.235 8.595 8.360 0.000 0.000 0.454 134 R N 1.599 122.159 120.500 0.100 0.000 2.083 134 R HA -0.194 4.147 4.340 0.001 0.000 0.237 134 R C 1.831 178.124 176.300 -0.011 0.000 1.137 134 R CA 1.694 57.837 56.100 0.071 0.000 0.951 134 R CB -0.016 30.316 30.300 0.053 0.000 0.851 134 R HN 0.128 8.398 8.270 0.000 0.000 0.434 135 E N -0.471 119.708 120.200 -0.035 0.000 2.333 135 E HA -0.095 4.256 4.350 0.001 0.000 0.198 135 E C 1.452 178.041 176.600 -0.018 0.000 1.007 135 E CA 1.178 57.551 56.400 -0.045 0.000 0.845 135 E CB 0.206 29.878 29.700 -0.047 0.000 0.766 135 E HN 0.320 8.680 8.360 0.000 0.000 0.507 136 S N -0.987 114.713 115.700 0.001 0.000 2.524 136 S HA 0.130 4.601 4.470 0.001 0.000 0.216 136 S C 1.166 175.772 174.600 0.009 0.000 0.987 136 S CA 0.497 58.701 58.200 0.006 0.000 0.909 136 S CB 0.995 64.203 63.200 0.013 0.000 0.781 136 S HN 0.456 8.766 8.310 0.000 0.000 0.521 137 G N 2.206 111.014 108.800 0.014 0.000 2.165 137 G HA2 -0.224 3.737 3.960 0.001 0.000 0.226 137 G HA3 -0.224 3.737 3.960 0.001 0.000 0.226 137 G C 0.417 175.334 174.900 0.028 0.000 1.035 137 G CA -0.178 44.933 45.100 0.018 0.000 0.744 137 G HN 0.476 8.766 8.290 0.000 0.000 0.501 138 R N -0.316 120.207 120.500 0.038 0.000 2.393 138 R HA 0.164 4.505 4.340 0.001 0.000 0.244 138 R C 2.175 178.507 176.300 0.053 0.000 0.920 138 R CA 0.569 56.693 56.100 0.039 0.000 1.076 138 R CB -0.053 30.266 30.300 0.033 0.000 1.119 138 R HN 0.326 8.596 8.270 0.000 0.000 0.524 139 T N 1.882 116.481 114.554 0.075 0.000 2.592 139 T HA -0.291 4.060 4.350 0.001 0.000 0.267 139 T C 2.104 176.841 174.700 0.061 0.000 1.060 139 T CA 2.128 64.289 62.100 0.102 0.000 1.167 139 T CB -0.225 68.730 68.868 0.145 0.000 0.863 139 T HN 0.420 8.660 8.240 0.000 0.000 0.431 140 A N 0.761 123.604 122.820 0.038 0.000 1.908 140 A HA -0.074 4.247 4.320 0.001 0.000 0.218 140 A C 2.648 180.231 177.584 -0.002 0.000 1.181 140 A CA 1.760 53.805 52.037 0.014 0.000 0.627 140 A CB -1.053 17.958 19.000 0.018 0.000 0.818 140 A HN 0.379 8.529 8.150 0.000 0.000 0.445 141 V N -0.471 119.447 119.914 0.007 0.000 2.307 141 V HA -0.218 3.903 4.120 0.001 0.000 0.245 141 V C 2.562 178.644 176.094 -0.020 0.000 1.045 141 V CA 1.892 64.190 62.300 -0.004 0.000 1.024 141 V CB -0.887 30.941 31.823 0.009 0.000 0.651 141 V HN 0.368 8.558 8.190 0.000 0.000 0.449 142 V N 0.850 120.763 119.914 -0.001 0.000 2.237 142 V HA -0.232 3.888 4.120 0.001 0.000 0.245 142 V C 2.640 178.715 176.094 -0.032 0.000 1.046 142 V CA 2.304 64.601 62.300 -0.006 0.000 1.007 142 V CB -0.757 31.081 31.823 0.026 0.000 0.638 142 V HN 0.547 8.737 8.190 0.000 0.000 0.445 143 V N -1.319 118.585 119.914 -0.017 0.000 2.332 143 V HA -0.245 3.876 4.120 0.001 0.000 0.248 143 V C 2.200 178.200 176.094 -0.156 0.000 1.055 143 V CA 2.075 64.347 62.300 -0.046 0.000 1.038 143 V CB -0.863 30.960 31.823 0.001 0.000 0.651 143 V HN 0.458 8.648 8.190 0.000 0.000 0.450 144 L N 0.113 121.220 121.223 -0.193 0.000 2.109 144 L HA -0.096 4.245 4.340 0.001 0.000 0.207 144 L C 2.854 179.489 176.870 -0.391 0.000 1.086 144 L CA 2.061 56.676 54.840 -0.375 0.000 0.760 144 L CB -0.967 40.938 42.059 -0.256 0.000 0.910 144 L HN 0.375 8.605 8.230 0.000 0.000 0.437 145 T N -0.729 113.704 114.554 -0.201 0.000 2.708 145 T HA -0.215 4.136 4.350 0.001 0.000 0.266 145 T C 1.883 176.483 174.700 -0.166 0.000 1.037 145 T CA 1.298 63.309 62.100 -0.147 0.000 1.146 145 T CB -0.144 68.679 68.868 -0.074 0.000 0.865 145 T HN 0.376 8.616 8.240 0.000 0.000 0.435 146 Q N 0.141 119.852 119.800 -0.149 0.000 2.096 146 Q HA -0.038 4.303 4.340 0.001 0.000 0.204 146 Q C 2.351 178.249 176.000 -0.170 0.000 0.982 146 Q CA 1.081 56.807 55.803 -0.129 0.000 0.850 146 Q CB -0.230 28.451 28.738 -0.096 0.000 0.901 146 Q HN 0.390 8.660 8.270 0.000 0.000 0.422 147 I N 0.590 120.997 120.570 -0.272 0.000 2.252 147 I HA -0.212 3.959 4.170 0.001 0.000 0.245 147 I C 2.135 178.024 176.117 -0.380 0.000 1.102 147 I CA 1.150 62.260 61.300 -0.316 0.000 1.385 147 I CB -0.652 37.100 38.000 -0.413 0.000 1.064 147 I HN 0.160 8.370 8.210 0.000 0.000 0.414 148 A N 0.717 123.177 122.820 -0.601 0.000 1.978 148 A HA -0.193 4.128 4.320 0.001 0.000 0.220 148 A C 2.479 180.045 177.584 -0.030 0.000 1.170 148 A CA 1.834 53.688 52.037 -0.306 0.000 0.636 148 A CB -0.722 18.185 19.000 -0.155 0.000 0.810 148 A HN 0.527 8.677 8.150 0.000 0.000 0.448 149 A N -0.164 122.613 122.820 -0.071 0.000 1.877 149 A HA -0.063 4.257 4.320 0.001 0.000 0.216 149 A C 2.096 179.671 177.584 -0.015 0.000 1.186 149 A CA 1.541 53.561 52.037 -0.028 0.000 0.620 149 A CB -0.548 18.424 19.000 -0.048 0.000 0.822 149 A HN 0.466 8.616 8.150 0.000 0.000 0.443 150 I N -0.133 120.414 120.570 -0.038 0.000 2.142 150 I HA -0.271 3.899 4.170 0.001 0.000 0.240 150 I C 2.981 179.091 176.117 -0.012 0.000 1.078 150 I CA 1.176 62.441 61.300 -0.058 0.000 1.343 150 I CB -0.328 37.612 38.000 -0.100 0.000 1.046 150 I HN 0.337 8.547 8.210 0.000 0.000 0.405 151 A N 0.546 123.451 122.820 0.141 0.000 1.927 151 A HA -0.326 3.994 4.320 0.001 0.000 0.220 151 A C 2.268 180.000 177.584 0.247 0.000 1.185 151 A CA 2.191 54.455 52.037 0.377 0.000 0.639 151 A CB -0.661 18.774 19.000 0.725 0.000 0.820 151 A HN 0.363 8.513 8.150 0.000 0.000 0.451 152 K N -0.560 119.942 120.400 0.169 0.000 2.020 152 K HA -0.201 4.120 4.320 0.001 0.000 0.212 152 K C 1.878 178.521 176.600 0.072 0.000 1.050 152 K CA 2.047 58.405 56.287 0.119 0.000 0.929 152 K CB -0.187 32.364 32.500 0.085 0.000 0.714 152 K HN 0.287 8.537 8.250 0.000 0.000 0.443 153 K N 0.361 120.777 120.400 0.027 0.000 2.504 153 K HA 0.073 4.394 4.320 0.001 0.000 0.195 153 K C 0.240 176.825 176.600 -0.024 0.000 1.036 153 K CA 0.436 56.719 56.287 -0.006 0.000 0.984 153 K CB 0.063 32.541 32.500 -0.038 0.000 0.788 153 K HN 0.053 8.303 8.250 0.000 0.000 0.488 154 L N 1.775 122.986 121.223 -0.021 0.000 2.344 154 L HA 0.293 4.633 4.340 0.001 0.000 0.272 154 L C 0.189 177.087 176.870 0.047 0.000 1.035 154 L CA -0.957 53.840 54.840 -0.072 0.000 0.807 154 L CB 1.294 43.167 42.059 -0.310 0.000 1.237 154 L HN 0.071 8.301 8.230 0.000 0.000 0.442 155 K N 1.785 122.205 120.400 0.033 0.000 2.118 155 K HA 0.310 4.630 4.320 0.001 0.000 0.254 155 K C 0.262 176.985 176.600 0.206 0.000 0.961 155 K CA -0.821 55.529 56.287 0.106 0.000 0.876 155 K CB 2.335 34.873 32.500 0.063 0.000 1.077 155 K HN 0.451 8.701 8.250 0.000 0.000 0.440 156 K N 1.310 121.849 120.400 0.231 0.000 2.044 156 K HA -0.323 3.998 4.320 0.001 0.000 0.224 156 K C 1.910 178.677 176.600 0.279 0.000 1.056 156 K CA 2.815 59.258 56.287 0.261 0.000 0.962 156 K CB -0.642 31.923 32.500 0.108 0.000 0.730 156 K HN 0.763 9.013 8.250 0.000 0.000 0.453 157 A N 0.989 123.900 122.820 0.151 0.000 2.076 157 A HA -0.198 4.122 4.320 0.001 0.000 0.220 157 A C 1.571 179.218 177.584 0.106 0.000 1.160 157 A CA 2.052 54.156 52.037 0.111 0.000 0.653 157 A CB -0.530 18.506 19.000 0.059 0.000 0.801 157 A HN 0.486 8.636 8.150 0.000 0.000 0.455 158 D N -0.947 119.504 120.400 0.085 0.000 2.182 158 D HA -0.180 4.460 4.640 0.001 0.000 0.201 158 D C 1.398 177.659 176.300 -0.065 0.000 0.986 158 D CA 0.955 54.932 54.000 -0.038 0.000 0.847 158 D CB -0.394 40.325 40.800 -0.135 0.000 0.942 158 D HN 0.769 9.139 8.370 0.000 0.000 0.467 159 W N 1.622 122.920 121.300 -0.003 0.000 2.387 159 W HA -0.048 4.612 4.660 0.001 0.000 0.272 159 W C 2.402 178.913 176.519 -0.014 0.000 1.224 159 W CA 0.911 58.254 57.345 -0.002 0.000 1.210 159 W CB -0.402 29.065 29.460 0.011 0.000 1.125 159 W HN -0.064 8.116 8.180 0.000 0.000 0.572 160 A N 0.049 122.965 122.820 0.160 0.000 2.178 160 A HA -0.130 4.190 4.320 0.001 0.000 0.218 160 A C 1.863 179.452 177.584 0.008 0.000 1.157 160 A CA 1.163 53.251 52.037 0.085 0.000 0.689 160 A CB -0.316 18.713 19.000 0.049 0.000 0.787 160 A HN 0.168 8.318 8.150 0.000 0.000 0.465 161 K N -0.586 119.787 120.400 -0.045 0.000 2.358 161 K HA 0.237 4.557 4.320 0.001 0.000 0.200 161 K C -0.239 176.261 176.600 -0.166 0.000 1.030 161 K CA 0.110 56.315 56.287 -0.137 0.000 1.097 161 K CB 0.648 33.058 32.500 -0.150 0.000 0.862 161 K HN 0.297 8.547 8.250 0.000 0.000 0.534 162 V N 1.898 121.749 119.914 -0.105 0.000 2.539 162 V HA 0.294 4.414 4.120 0.001 0.000 0.292 162 V C 0.036 176.142 176.094 0.020 0.000 1.045 162 V CA -0.766 61.472 62.300 -0.103 0.000 0.945 162 V CB 2.017 33.692 31.823 -0.246 0.000 0.993 162 V HN -0.204 7.986 8.190 0.000 0.000 0.464 163 V N 5.012 124.942 119.914 0.027 0.000 2.638 163 V HA 0.481 4.601 4.120 0.001 0.000 0.306 163 V C -0.567 175.573 176.094 0.077 0.000 1.052 163 V CA -0.550 61.807 62.300 0.096 0.000 0.885 163 V CB 1.985 33.897 31.823 0.148 0.000 0.999 163 V HN 0.574 8.764 8.190 0.000 0.000 0.424 164 I N 3.535 124.158 120.570 0.089 0.000 2.385 164 I HA 0.687 4.857 4.170 0.001 0.000 0.294 164 I C 0.484 176.616 176.117 0.025 0.000 0.988 164 I CA -0.312 61.019 61.300 0.053 0.000 1.265 164 I CB 1.692 39.735 38.000 0.072 0.000 1.388 164 I HN 0.747 8.957 8.210 0.000 0.000 0.480 165 A N 6.747 129.569 122.820 0.003 0.000 2.304 165 A HA 0.455 4.776 4.320 0.001 0.000 0.314 165 A C -1.226 176.335 177.584 -0.039 0.000 1.187 165 A CA -0.488 51.541 52.037 -0.013 0.000 0.810 165 A CB 0.555 19.549 19.000 -0.010 0.000 1.183 165 A HN 0.563 8.713 8.150 0.000 0.000 0.487 166 Y N 1.954 122.153 120.300 -0.168 0.000 2.341 166 Y HA 0.507 5.057 4.550 0.001 0.000 0.340 166 Y C -0.148 175.640 175.900 -0.186 0.000 0.997 166 Y CA -0.358 57.641 58.100 -0.168 0.000 1.149 166 Y CB 0.923 39.252 38.460 -0.219 0.000 1.171 166 Y HN 0.668 8.948 8.280 0.000 0.000 0.494 167 E N 8.773 128.379 120.200 -0.990 0.000 2.409 167 E HA 0.210 4.560 4.350 0.001 0.000 0.259 167 E C -2.821 173.166 176.600 -1.021 0.000 0.932 167 E CA -2.227 53.610 56.400 -0.938 0.000 0.809 167 E CB 1.428 30.770 29.700 -0.596 0.000 1.341 167 E HN 0.447 8.807 8.360 0.000 0.000 0.405 168 P HA -0.026 4.394 4.420 0.000 0.000 0.264 168 P C 1.188 177.868 177.300 -1.034 0.000 1.229 168 P CA 0.030 62.434 63.100 -1.161 0.000 0.780 168 P CB 0.821 31.479 31.700 -1.737 0.000 0.808 169 V N 4.400 123.948 119.914 -0.611 0.000 2.363 169 V HA -0.241 3.880 4.120 0.001 0.000 0.254 169 V C 2.066 178.014 176.094 -0.243 0.000 1.074 169 V CA 2.203 64.294 62.300 -0.348 0.000 1.069 169 V CB -1.332 30.392 31.823 -0.165 0.000 0.659 169 V HN 0.690 8.880 8.190 0.000 0.000 0.455 170 W N 0.221 121.505 121.300 -0.027 0.000 2.525 170 W HA 0.093 4.754 4.660 0.001 0.000 0.259 170 W C 1.899 178.431 176.519 0.022 0.000 1.253 170 W CA 0.814 58.162 57.345 0.006 0.000 1.262 170 W CB -0.848 28.627 29.460 0.023 0.000 1.122 170 W HN 0.345 8.525 8.180 0.000 0.000 0.607 171 A N 1.005 123.659 122.820 -0.276 0.000 2.275 171 A HA 0.242 4.562 4.320 0.001 0.000 0.212 171 A C 0.793 178.330 177.584 -0.079 0.000 1.201 171 A CA -0.247 51.740 52.037 -0.084 0.000 0.843 171 A CB -0.649 18.228 19.000 -0.205 0.000 0.873 171 A HN 0.199 8.349 8.150 0.000 0.000 0.492 172 I N 0.962 121.465 120.570 -0.112 0.000 2.421 172 I HA 0.264 4.435 4.170 0.001 0.000 0.291 172 I C 1.411 177.540 176.117 0.021 0.000 1.089 172 I CA 0.446 61.710 61.300 -0.060 0.000 1.354 172 I CB 0.117 38.064 38.000 -0.087 0.000 1.413 172 I HN 0.361 8.571 8.210 0.000 0.000 0.513 173 G N 4.595 113.415 108.800 0.034 0.000 2.422 173 G HA2 -0.310 3.651 3.960 0.001 0.000 0.301 173 G HA3 -0.310 3.651 3.960 0.001 0.000 0.301 173 G C 0.645 175.584 174.900 0.065 0.000 0.981 173 G CA 0.869 46.002 45.100 0.055 0.000 0.994 173 G HN 0.849 9.139 8.290 0.000 0.000 0.514 174 T N -4.895 109.705 114.554 0.077 0.000 2.986 174 T HA 0.477 4.828 4.350 0.001 0.000 0.264 174 T C 2.162 176.921 174.700 0.097 0.000 0.964 174 T CA 1.420 63.575 62.100 0.091 0.000 0.895 174 T CB 0.705 69.644 68.868 0.119 0.000 1.163 174 T HN 2.027 10.267 8.240 0.000 0.000 0.517 175 G N 1.873 110.734 108.800 0.101 0.000 2.225 175 G HA2 -0.254 3.706 3.960 0.001 0.000 0.254 175 G HA3 -0.254 3.706 3.960 0.001 0.000 0.254 175 G C 0.277 175.257 174.900 0.134 0.000 0.988 175 G CA 0.173 45.335 45.100 0.103 0.000 0.625 175 G HN 0.602 8.892 8.290 0.000 0.000 0.527 176 K N 1.921 122.425 120.400 0.174 0.000 2.307 176 K HA 0.430 4.750 4.320 0.001 0.000 0.240 176 K C 0.917 177.709 176.600 0.320 0.000 1.214 176 K CA -0.082 56.348 56.287 0.239 0.000 1.149 176 K CB -0.217 32.442 32.500 0.264 0.000 1.668 176 K HN 0.281 8.531 8.250 0.000 0.000 0.314 177 V N 2.195 122.259 119.914 0.250 0.000 2.763 177 V HA 0.044 4.164 4.120 0.001 0.000 0.306 177 V C 1.028 177.333 176.094 0.351 0.000 1.059 177 V CA -0.669 61.804 62.300 0.290 0.000 1.138 177 V CB 0.577 32.527 31.823 0.212 0.000 0.940 177 V HN 0.604 8.794 8.190 0.000 0.000 0.489 178 A N 3.816 126.877 122.820 0.402 0.000 2.445 178 A HA 0.507 4.827 4.320 0.001 0.000 0.242 178 A C 0.869 178.544 177.584 0.152 0.000 1.075 178 A CA 0.282 52.576 52.037 0.428 0.000 0.777 178 A CB -0.005 19.224 19.000 0.381 0.000 1.013 178 A HN 1.179 9.329 8.150 0.000 0.000 0.493 179 T N -0.227 114.413 114.554 0.143 0.000 2.788 179 T HA 0.354 4.705 4.350 0.001 0.000 0.287 179 T C -1.902 172.786 174.700 -0.020 0.000 1.007 179 T CA -1.030 61.099 62.100 0.048 0.000 1.005 179 T CB 0.391 69.287 68.868 0.048 0.000 1.012 179 T HN 0.338 8.578 8.240 0.000 0.000 0.530 180 P HA -0.126 4.294 4.420 0.000 0.000 0.218 180 P C 1.715 178.973 177.300 -0.070 0.000 1.148 180 P CA 0.997 64.045 63.100 -0.087 0.000 0.822 180 P CB 0.008 31.673 31.700 -0.058 0.000 0.784 181 Q N 0.042 119.826 119.800 -0.026 0.000 2.020 181 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 181 Q C 2.238 178.247 176.000 0.014 0.000 0.982 181 Q CA 1.656 57.453 55.803 -0.010 0.000 0.838 181 Q CB -1.461 27.279 28.738 0.003 0.000 0.899 181 Q HN 0.376 8.646 8.270 0.000 0.000 0.423 182 Q N 0.383 120.219 119.800 0.059 0.000 2.096 182 Q HA -0.116 4.224 4.340 0.001 0.000 0.204 182 Q C 2.077 178.166 176.000 0.147 0.000 0.982 182 Q CA 1.815 57.701 55.803 0.138 0.000 0.850 182 Q CB -0.262 28.625 28.738 0.249 0.000 0.901 182 Q HN 0.474 8.744 8.270 0.000 0.000 0.422 183 A N 0.534 123.392 122.820 0.063 0.000 1.858 183 A HA -0.299 4.022 4.320 0.001 0.000 0.216 183 A C 2.004 179.557 177.584 -0.053 0.000 1.190 183 A CA 1.833 53.880 52.037 0.017 0.000 0.617 183 A CB -0.812 17.985 19.000 -0.338 0.000 0.827 183 A HN 0.395 8.545 8.150 0.000 0.000 0.443 184 Q N 0.671 120.396 119.800 -0.125 0.000 2.124 184 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 184 Q C 1.877 177.856 176.000 -0.035 0.000 0.977 184 Q CA 2.389 58.121 55.803 -0.118 0.000 0.850 184 Q CB -0.455 28.217 28.738 -0.110 0.000 0.901 184 Q HN 0.838 9.108 8.270 0.000 0.000 0.429 185 E N -0.867 119.326 120.200 -0.012 0.000 2.152 185 E HA -0.127 4.223 4.350 0.001 0.000 0.192 185 E C 1.756 178.340 176.600 -0.027 0.000 0.983 185 E CA 0.971 57.369 56.400 -0.004 0.000 0.818 185 E CB -0.316 29.390 29.700 0.010 0.000 0.758 185 E HN 0.388 8.748 8.360 0.000 0.000 0.467 186 A N 1.388 124.173 122.820 -0.058 0.000 1.929 186 A HA -0.117 4.203 4.320 0.001 0.000 0.216 186 A C 1.919 179.356 177.584 -0.245 0.000 1.176 186 A CA 1.234 53.102 52.037 -0.282 0.000 0.628 186 A CB -0.910 17.635 19.000 -0.759 0.000 0.816 186 A HN 0.407 8.557 8.150 0.000 0.000 0.444 187 H N -0.775 118.148 119.070 -0.244 0.000 2.389 187 H HA -0.026 4.531 4.556 0.001 0.000 0.299 187 H C 2.491 177.767 175.328 -0.087 0.000 1.081 187 H CA 0.864 56.828 56.048 -0.138 0.000 1.345 187 H CB 0.082 29.808 29.762 -0.060 0.000 1.393 187 H HN 0.573 8.853 8.280 0.000 0.000 0.520 188 A N 1.268 124.115 122.820 0.046 0.000 1.929 188 A HA -0.107 4.214 4.320 0.001 0.000 0.216 188 A C 2.362 179.950 177.584 0.008 0.000 1.176 188 A CA 0.810 52.857 52.037 0.017 0.000 0.628 188 A CB -0.541 18.460 19.000 0.002 0.000 0.816 188 A HN 0.264 8.414 8.150 0.000 0.000 0.444 189 L N 0.226 121.443 121.223 -0.009 0.000 1.994 189 L HA -0.134 4.207 4.340 0.001 0.000 0.208 189 L C 2.223 179.108 176.870 0.026 0.000 1.071 189 L CA 1.993 56.834 54.840 0.002 0.000 0.745 189 L CB -0.567 41.472 42.059 -0.033 0.000 0.892 189 L HN 0.416 8.646 8.230 0.000 0.000 0.431 190 I N -0.492 120.062 120.570 -0.027 0.000 2.208 190 I HA -0.321 3.849 4.170 0.001 0.000 0.245 190 I C 2.756 178.920 176.117 0.078 0.000 1.097 190 I CA 1.698 62.999 61.300 0.001 0.000 1.363 190 I CB -0.417 37.529 38.000 -0.090 0.000 1.051 190 I HN 0.338 8.548 8.210 0.000 0.000 0.413 191 R N 0.893 121.415 120.500 0.037 0.000 2.148 191 R HA -0.157 4.184 4.340 0.001 0.000 0.227 191 R C 2.460 178.777 176.300 0.028 0.000 1.103 191 R CA 1.654 57.773 56.100 0.032 0.000 0.983 191 R CB -0.119 30.191 30.300 0.016 0.000 0.874 191 R HN 0.489 8.759 8.270 0.000 0.000 0.451 192 S N -0.658 115.069 115.700 0.046 0.000 2.383 192 S HA -0.181 4.289 4.470 0.001 0.000 0.227 192 S C 1.755 176.374 174.600 0.032 0.000 1.026 192 S CA 0.727 58.941 58.200 0.024 0.000 0.981 192 S CB -0.761 62.453 63.200 0.023 0.000 0.818 192 S HN 0.621 8.931 8.310 0.000 0.000 0.472 193 W N 2.202 123.461 121.300 -0.068 0.000 2.335 193 W HA -0.108 4.552 4.660 0.000 0.000 0.311 193 W C 2.158 178.613 176.519 -0.107 0.000 1.213 193 W CA 1.608 58.913 57.345 -0.067 0.000 1.274 193 W CB -0.516 28.917 29.460 -0.045 0.000 1.148 193 W HN 0.131 8.311 8.180 0.000 0.000 0.498 194 V N 0.818 120.794 119.914 0.102 0.000 2.343 194 V HA -0.332 3.789 4.120 0.001 0.000 0.247 194 V C 2.451 178.366 176.094 -0.299 0.000 1.051 194 V CA 2.418 64.632 62.300 -0.143 0.000 1.036 194 V CB -1.140 30.591 31.823 -0.153 0.000 0.654 194 V HN 0.369 8.559 8.190 0.000 0.000 0.451 195 S N -1.068 114.509 115.700 -0.204 0.000 2.395 195 S HA -0.126 4.345 4.470 0.001 0.000 0.225 195 S C 2.064 176.523 174.600 -0.235 0.000 1.027 195 S CA 1.277 59.359 58.200 -0.196 0.000 0.965 195 S CB -0.308 62.816 63.200 -0.127 0.000 0.812 195 S HN 0.473 8.783 8.310 0.000 0.000 0.482 196 S N 1.844 117.384 115.700 -0.267 0.000 2.368 196 S HA 0.065 4.536 4.470 0.001 0.000 0.224 196 S C 1.810 176.159 174.600 -0.418 0.000 1.029 196 S CA 1.366 59.382 58.200 -0.307 0.000 0.988 196 S CB -0.178 62.841 63.200 -0.302 0.000 0.838 196 S HN 0.392 8.702 8.310 0.000 0.000 0.462 197 K N 0.097 120.113 120.400 -0.640 0.000 2.308 197 K HA 0.319 4.639 4.320 0.001 0.000 0.197 197 K C 1.442 177.774 176.600 -0.447 0.000 1.049 197 K CA 0.334 56.226 56.287 -0.659 0.000 0.991 197 K CB 0.161 31.875 32.500 -1.310 0.000 0.836 197 K HN 0.242 8.492 8.250 0.000 0.000 0.500 198 I N -1.543 118.760 120.570 -0.446 0.000 2.899 198 I HA 0.311 4.481 4.170 0.001 0.000 0.257 198 I C 0.808 176.760 176.117 -0.274 0.000 1.115 198 I CA 0.542 61.618 61.300 -0.373 0.000 1.451 198 I CB -0.461 37.177 38.000 -0.603 0.000 1.251 198 I HN 0.062 8.272 8.210 0.000 0.000 0.456 199 G N 0.062 108.703 108.800 -0.264 0.000 2.343 199 G HA2 0.332 4.293 3.960 0.001 0.000 0.298 199 G HA3 0.332 4.293 3.960 0.001 0.000 0.298 199 G C 0.152 174.952 174.900 -0.167 0.000 1.644 199 G CA -0.158 44.832 45.100 -0.183 0.000 0.958 199 G HN 0.193 8.483 8.290 0.000 0.000 0.702 200 A N 0.524 123.270 122.820 -0.123 0.000 2.121 200 A HA 0.109 4.429 4.320 0.001 0.000 0.218 200 A C 2.033 179.568 177.584 -0.082 0.000 1.154 200 A CA 2.282 54.259 52.037 -0.100 0.000 0.679 200 A CB -0.356 18.598 19.000 -0.077 0.000 0.795 200 A HN 0.866 9.016 8.150 0.000 0.000 0.458 201 D N 0.253 120.605 120.400 -0.079 0.000 2.117 201 D HA -0.118 4.523 4.640 0.001 0.000 0.198 201 D C 1.794 178.058 176.300 -0.059 0.000 0.982 201 D CA 1.444 55.410 54.000 -0.056 0.000 0.828 201 D CB -1.011 39.760 40.800 -0.047 0.000 0.967 201 D HN 0.238 8.608 8.370 0.000 0.000 0.464 202 V N 1.729 121.583 119.914 -0.101 0.000 2.244 202 V HA -0.169 3.951 4.120 0.001 0.000 0.244 202 V C 2.860 178.881 176.094 -0.121 0.000 1.042 202 V CA 1.940 64.163 62.300 -0.129 0.000 1.006 202 V CB -1.092 30.574 31.823 -0.262 0.000 0.641 202 V HN 0.343 8.533 8.190 0.000 0.000 0.446 203 A N 0.422 123.150 122.820 -0.153 0.000 2.042 203 A HA -0.182 4.139 4.320 0.001 0.000 0.222 203 A C 2.298 179.853 177.584 -0.048 0.000 1.167 203 A CA 2.146 54.118 52.037 -0.109 0.000 0.649 203 A CB -1.099 17.837 19.000 -0.106 0.000 0.809 203 A HN 0.592 8.742 8.150 0.000 0.000 0.457 204 G N -1.372 107.403 108.800 -0.042 0.000 2.430 204 G HA2 -0.052 3.909 3.960 0.001 0.000 0.216 204 G HA3 -0.052 3.909 3.960 0.001 0.000 0.216 204 G C 1.351 176.253 174.900 0.003 0.000 1.146 204 G CA 0.666 45.755 45.100 -0.018 0.000 0.793 204 G HN 0.469 8.759 8.290 0.000 0.000 0.537 205 E N -0.329 119.876 120.200 0.009 0.000 2.442 205 E HA 0.086 4.436 4.350 0.001 0.000 0.195 205 E C 0.553 177.189 176.600 0.061 0.000 1.030 205 E CA -0.431 55.990 56.400 0.035 0.000 0.869 205 E CB 0.092 29.815 29.700 0.039 0.000 0.857 205 E HN 0.302 8.662 8.360 0.000 0.000 0.505 206 L N 2.251 123.509 121.223 0.059 0.000 2.534 206 L HA 0.009 4.349 4.340 0.001 0.000 0.271 206 L C -0.132 176.797 176.870 0.099 0.000 1.178 206 L CA 0.367 55.265 54.840 0.097 0.000 0.907 206 L CB 0.229 42.343 42.059 0.092 0.000 1.164 206 L HN -0.272 7.958 8.230 0.000 0.000 0.482 207 R N 5.515 126.087 120.500 0.120 0.000 2.254 207 R HA 0.589 4.930 4.340 0.001 0.000 0.318 207 R C -0.847 175.521 176.300 0.113 0.000 1.031 207 R CA 0.011 56.182 56.100 0.119 0.000 0.905 207 R CB 0.729 31.111 30.300 0.136 0.000 1.050 207 R HN 0.650 8.920 8.270 0.000 0.000 0.456 208 I N 5.576 126.210 120.570 0.106 0.000 2.439 208 I HA 0.270 4.441 4.170 0.001 0.000 0.283 208 I C -0.600 175.613 176.117 0.160 0.000 1.023 208 I CA -0.577 60.756 61.300 0.054 0.000 1.100 208 I CB 1.081 39.056 38.000 -0.041 0.000 1.238 208 I HN 0.302 8.512 8.210 0.000 0.000 0.445 209 L N 5.409 126.710 121.223 0.130 0.000 2.379 209 L HA 0.450 4.791 4.340 0.001 0.000 0.269 209 L C -0.691 176.383 176.870 0.340 0.000 1.084 209 L CA -0.876 54.088 54.840 0.207 0.000 0.802 209 L CB 0.912 43.047 42.059 0.127 0.000 1.175 209 L HN 0.443 8.673 8.230 0.000 0.000 0.448 210 Y N 0.382 120.794 120.300 0.187 0.000 2.342 210 Y HA 0.682 5.232 4.550 0.001 0.000 0.334 210 Y C 0.085 176.128 175.900 0.239 0.000 1.067 210 Y CA -0.490 57.766 58.100 0.260 0.000 1.128 210 Y CB 1.822 40.397 38.460 0.192 0.000 1.200 210 Y HN 0.544 8.824 8.280 0.000 0.000 0.464 211 G N 1.923 110.233 108.800 -0.816 0.000 2.662 211 G HA2 0.540 4.501 3.960 0.001 0.000 0.302 211 G HA3 0.540 4.501 3.960 0.001 0.000 0.302 211 G C -0.706 173.603 174.900 -0.985 0.000 1.389 211 G CA -0.644 44.101 45.100 -0.591 0.000 0.998 211 G HN 1.383 9.673 8.290 0.000 0.000 0.502 212 G N 0.214 108.732 108.800 -0.470 0.000 2.421 212 G HA2 0.393 4.354 3.960 0.001 0.000 0.360 212 G HA3 0.393 4.354 3.960 0.001 0.000 0.360 212 G C 0.311 175.230 174.900 0.031 0.000 1.219 212 G CA 0.142 45.070 45.100 -0.287 0.000 1.257 212 G HN 1.873 10.163 8.290 0.000 0.000 0.609 213 S N -2.161 113.573 115.700 0.057 0.000 3.706 213 S HA -0.204 4.267 4.470 0.001 0.000 0.363 213 S C 0.789 175.484 174.600 0.158 0.000 0.999 213 S CA 0.725 58.993 58.200 0.113 0.000 1.143 213 S CB -1.473 61.801 63.200 0.123 0.000 0.902 213 S HN 1.711 10.021 8.310 0.000 0.000 0.476 214 V N 2.325 122.331 119.914 0.153 0.000 2.607 214 V HA 0.635 4.755 4.120 0.001 0.000 0.289 214 V C 0.471 176.574 176.094 0.015 0.000 1.053 214 V CA -0.096 62.270 62.300 0.109 0.000 0.996 214 V CB 1.605 33.459 31.823 0.052 0.000 0.995 214 V HN 0.833 9.023 8.190 0.000 0.000 0.476 215 N N 2.170 120.848 118.700 -0.037 0.000 2.972 215 N HA 0.460 5.200 4.740 0.001 0.000 0.262 215 N C 0.838 176.305 175.510 -0.072 0.000 1.478 215 N CA -0.149 52.887 53.050 -0.023 0.000 0.841 215 N CB 0.982 39.481 38.487 0.019 0.000 1.512 215 N HN 0.448 8.828 8.380 0.000 0.000 0.548 216 G N 0.021 108.798 108.800 -0.038 0.000 2.476 216 G HA2 -0.354 3.607 3.960 0.001 0.000 0.218 216 G HA3 -0.354 3.607 3.960 0.001 0.000 0.218 216 G C 1.110 175.980 174.900 -0.050 0.000 1.164 216 G CA 1.294 46.363 45.100 -0.052 0.000 0.768 216 G HN 0.687 8.977 8.290 0.000 0.000 0.560 217 K N 1.175 121.562 120.400 -0.022 0.000 1.985 217 K HA -0.167 4.153 4.320 0.001 0.000 0.210 217 K C 2.423 179.018 176.600 -0.008 0.000 1.047 217 K CA 1.698 57.980 56.287 -0.009 0.000 0.932 217 K CB -0.256 32.248 32.500 0.007 0.000 0.716 217 K HN 0.452 8.702 8.250 0.000 0.000 0.439 218 N N 0.524 119.222 118.700 -0.003 0.000 2.512 218 N HA -0.063 4.678 4.740 0.001 0.000 0.183 218 N C 1.359 176.871 175.510 0.003 0.000 1.073 218 N CA 1.080 54.139 53.050 0.014 0.000 0.911 218 N CB -0.229 38.283 38.487 0.042 0.000 0.964 218 N HN 0.237 8.617 8.380 0.000 0.000 0.447 219 A N 1.367 124.135 122.820 -0.086 0.000 1.873 219 A HA -0.190 4.131 4.320 0.001 0.000 0.218 219 A C 2.328 179.977 177.584 0.108 0.000 1.193 219 A CA 1.543 53.474 52.037 -0.177 0.000 0.629 219 A CB -0.836 17.864 19.000 -0.499 0.000 0.826 219 A HN 0.338 8.488 8.150 0.000 0.000 0.447 220 R N -0.920 119.625 120.500 0.075 0.000 2.096 220 R HA -0.178 4.162 4.340 0.001 0.000 0.240 220 R C 2.590 178.980 176.300 0.151 0.000 1.139 220 R CA 2.375 58.550 56.100 0.125 0.000 0.952 220 R CB -0.589 29.744 30.300 0.054 0.000 0.854 220 R HN 0.734 9.004 8.270 0.000 0.000 0.436 221 T N -0.615 113.998 114.554 0.099 0.000 2.777 221 T HA -0.092 4.259 4.350 0.001 0.000 0.266 221 T C 2.070 176.810 174.700 0.067 0.000 1.040 221 T CA 1.177 63.315 62.100 0.064 0.000 1.141 221 T CB -0.246 68.641 68.868 0.031 0.000 0.868 221 T HN 0.209 8.449 8.240 0.000 0.000 0.444 222 L N -0.623 120.673 121.223 0.121 0.000 1.989 222 L HA -0.033 4.308 4.340 0.001 0.000 0.211 222 L C 2.600 179.522 176.870 0.086 0.000 1.071 222 L CA 2.063 56.960 54.840 0.094 0.000 0.749 222 L CB -0.804 41.431 42.059 0.295 0.000 0.890 222 L HN 0.289 8.519 8.230 0.000 0.000 0.431 223 Y N 0.480 120.892 120.300 0.188 0.000 2.384 223 Y HA -0.303 4.248 4.550 0.001 0.000 0.289 223 Y C 2.577 178.471 175.900 -0.009 0.000 1.152 223 Y CA 1.491 59.631 58.100 0.067 0.000 1.258 223 Y CB -0.175 38.416 38.460 0.218 0.000 0.979 223 Y HN 0.225 8.505 8.280 0.000 0.000 0.549 224 Q N 0.026 119.800 119.800 -0.043 0.000 2.437 224 Q HA -0.108 4.232 4.340 0.001 0.000 0.210 224 Q C 0.257 176.150 176.000 -0.177 0.000 0.972 224 Q CA 0.380 56.122 55.803 -0.101 0.000 0.903 224 Q CB 0.115 28.840 28.738 -0.022 0.000 0.967 224 Q HN 0.418 8.688 8.270 0.000 0.000 0.486 225 Q N -0.124 119.546 119.800 -0.217 0.000 2.340 225 Q HA 0.022 4.363 4.340 0.001 0.000 0.249 225 Q C 0.667 176.520 176.000 -0.246 0.000 0.957 225 Q CA -0.063 55.615 55.803 -0.207 0.000 0.882 225 Q CB 0.717 29.334 28.738 -0.201 0.000 1.235 225 Q HN 0.107 8.377 8.270 0.000 0.000 0.439 226 R N 1.740 122.139 120.500 -0.169 0.000 2.105 226 R HA -0.140 4.200 4.340 0.001 0.000 0.239 226 R C 0.168 176.388 176.300 -0.134 0.000 1.135 226 R CA 1.599 57.614 56.100 -0.141 0.000 0.967 226 R CB 0.191 30.438 30.300 -0.089 0.000 0.861 226 R HN 0.622 8.892 8.270 0.000 0.000 0.442 227 D N 0.050 120.379 120.400 -0.119 0.000 2.368 227 D HA 0.071 4.711 4.640 0.001 0.000 0.218 227 D C -0.550 175.748 176.300 -0.004 0.000 1.112 227 D CA 0.003 53.978 54.000 -0.040 0.000 0.834 227 D CB 0.868 41.688 40.800 0.034 0.000 0.953 227 D HN -0.090 8.280 8.370 0.000 0.000 0.505 228 V N 1.844 121.633 119.914 -0.209 0.000 2.334 228 V HA 0.141 4.262 4.120 0.001 0.000 0.267 228 V C 0.618 176.585 176.094 -0.212 0.000 1.040 228 V CA -0.323 61.810 62.300 -0.279 0.000 0.866 228 V CB 0.903 32.446 31.823 -0.466 0.000 1.019 228 V HN 0.027 8.217 8.190 0.000 0.000 0.468 229 N N 3.612 122.325 118.700 0.022 0.000 2.235 229 N HA 0.499 5.240 4.740 0.001 0.000 0.209 229 N C 0.561 176.216 175.510 0.240 0.000 1.122 229 N CA 0.326 53.469 53.050 0.155 0.000 0.845 229 N CB 0.957 39.522 38.487 0.129 0.000 1.004 229 N HN 0.855 9.235 8.380 0.000 0.000 0.499 230 G N -0.010 108.824 108.800 0.056 0.000 2.350 230 G HA2 0.241 4.201 3.960 0.001 0.000 0.276 230 G HA3 0.241 4.201 3.960 0.001 0.000 0.276 230 G C -2.022 172.679 174.900 -0.332 0.000 1.313 230 G CA -0.991 44.076 45.100 -0.053 0.000 0.903 230 G HN 0.033 8.323 8.290 0.000 0.000 0.490 231 F N -0.835 119.200 119.950 0.140 0.000 2.654 231 F HA 0.693 5.220 4.527 0.001 0.000 0.308 231 F C -0.298 175.565 175.800 0.106 0.000 1.108 231 F CA -0.850 57.243 58.000 0.155 0.000 0.957 231 F CB 2.370 41.462 39.000 0.153 0.000 1.309 231 F HN 0.447 8.747 8.300 0.000 0.000 0.446 232 L N 3.873 125.266 121.223 0.283 0.000 2.294 232 L HA 0.720 5.061 4.340 0.001 0.000 0.283 232 L C -1.503 175.457 176.870 0.150 0.000 1.015 232 L CA -0.725 54.209 54.840 0.157 0.000 0.831 232 L CB 1.143 43.247 42.059 0.075 0.000 1.217 232 L HN 0.463 8.693 8.230 0.000 0.000 0.420 233 V N 4.806 124.815 119.914 0.160 0.000 2.384 233 V HA 0.484 4.605 4.120 0.001 0.000 0.287 233 V C 0.963 177.112 176.094 0.092 0.000 1.020 233 V CA -0.399 61.989 62.300 0.146 0.000 0.850 233 V CB 1.053 33.025 31.823 0.247 0.000 0.987 233 V HN 0.871 9.061 8.190 0.000 0.000 0.436 234 G N 3.500 112.350 108.800 0.083 0.000 2.679 234 G HA2 0.193 4.154 3.960 0.001 0.000 0.185 234 G HA3 0.193 4.154 3.960 0.001 0.000 0.185 234 G C 1.403 176.361 174.900 0.097 0.000 1.656 234 G CA 0.650 45.795 45.100 0.076 0.000 0.892 234 G HN 0.943 9.233 8.290 0.000 0.000 0.389 235 G N 0.876 109.726 108.800 0.083 0.000 2.529 235 G HA2 -0.049 3.911 3.960 0.001 0.000 0.219 235 G HA3 -0.049 3.911 3.960 0.001 0.000 0.219 235 G C 2.049 177.006 174.900 0.096 0.000 1.177 235 G CA 2.125 47.271 45.100 0.076 0.000 0.773 235 G HN 0.929 9.219 8.290 0.000 0.000 0.573 236 A N 0.840 123.729 122.820 0.115 0.000 2.131 236 A HA 0.021 4.341 4.320 0.001 0.000 0.220 236 A C 2.606 180.325 177.584 0.224 0.000 1.158 236 A CA 2.323 54.451 52.037 0.152 0.000 0.665 236 A CB -0.571 18.519 19.000 0.150 0.000 0.795 236 A HN 0.879 9.029 8.150 0.000 0.000 0.460 237 S N -0.735 115.078 115.700 0.188 0.000 2.515 237 S HA 0.085 4.555 4.470 0.001 0.000 0.231 237 S C 1.396 176.145 174.600 0.248 0.000 0.987 237 S CA 0.836 59.103 58.200 0.111 0.000 0.936 237 S CB -0.422 62.727 63.200 -0.085 0.000 0.766 237 S HN 0.474 8.784 8.310 0.000 0.000 0.528 238 L N -0.079 121.225 121.223 0.135 0.000 2.592 238 L HA 0.348 4.688 4.340 0.001 0.000 0.227 238 L C 0.434 177.294 176.870 -0.017 0.000 1.127 238 L CA 0.161 54.973 54.840 -0.047 0.000 0.884 238 L CB 0.018 42.018 42.059 -0.099 0.000 1.065 238 L HN 0.163 8.393 8.230 0.000 0.000 0.457 239 K N -0.582 119.884 120.400 0.109 0.000 2.281 239 K HA 0.347 4.668 4.320 0.001 0.000 0.242 239 K C -1.888 174.850 176.600 0.231 0.000 0.971 239 K CA -1.766 54.593 56.287 0.119 0.000 0.834 239 K CB 1.377 33.942 32.500 0.109 0.000 1.181 239 K HN -0.385 7.865 8.250 0.000 0.000 0.435 240 P HA -0.126 4.294 4.420 0.000 0.000 0.229 240 P C 0.694 178.137 177.300 0.239 0.000 1.160 240 P CA 0.772 64.014 63.100 0.236 0.000 0.777 240 P CB 0.251 32.032 31.700 0.136 0.000 0.814 241 E N -0.620 119.691 120.200 0.185 0.000 2.219 241 E HA -0.234 4.116 4.350 0.001 0.000 0.198 241 E C 1.572 178.267 176.600 0.158 0.000 0.998 241 E CA 0.662 57.144 56.400 0.137 0.000 0.818 241 E CB -0.566 29.198 29.700 0.107 0.000 0.741 241 E HN 0.120 8.480 8.360 0.000 0.000 0.477 242 F N 0.875 120.896 119.950 0.120 0.000 2.154 242 F HA -0.253 4.274 4.527 0.000 0.000 0.301 242 F C 1.987 177.813 175.800 0.043 0.000 1.087 242 F CA 1.397 59.456 58.000 0.098 0.000 1.274 242 F CB -0.446 38.679 39.000 0.208 0.000 1.009 242 F HN -0.106 8.194 8.300 0.000 0.000 0.485 243 V N 0.659 120.611 119.914 0.064 0.000 2.380 243 V HA -0.345 3.776 4.120 0.001 0.000 0.251 243 V C 2.112 178.118 176.094 -0.146 0.000 1.063 243 V CA 2.225 64.492 62.300 -0.055 0.000 1.055 243 V CB -0.760 31.136 31.823 0.122 0.000 0.657 243 V HN 0.339 8.529 8.190 0.000 0.000 0.455 244 D N 0.015 120.357 120.400 -0.096 0.000 2.097 244 D HA -0.132 4.509 4.640 0.001 0.000 0.195 244 D C 2.086 178.271 176.300 -0.191 0.000 0.989 244 D CA 1.363 55.302 54.000 -0.102 0.000 0.827 244 D CB -0.279 40.489 40.800 -0.053 0.000 0.966 244 D HN 0.405 8.775 8.370 0.000 0.000 0.456 245 I N 1.023 121.425 120.570 -0.280 0.000 2.185 245 I HA -0.290 3.881 4.170 0.001 0.000 0.246 245 I C 2.435 178.308 176.117 -0.407 0.000 1.088 245 I CA 0.972 62.033 61.300 -0.398 0.000 1.347 245 I CB -0.252 37.489 38.000 -0.432 0.000 1.041 245 I HN -0.021 8.189 8.210 0.000 0.000 0.415 246 I N 0.423 120.684 120.570 -0.515 0.000 2.179 246 I HA -0.292 3.879 4.170 0.001 0.000 0.242 246 I C 2.350 178.357 176.117 -0.184 0.000 1.088 246 I CA 1.524 62.574 61.300 -0.417 0.000 1.357 246 I CB -0.403 37.302 38.000 -0.492 0.000 1.051 246 I HN 0.107 8.317 8.210 0.000 0.000 0.409 247 K N 0.803 121.114 120.400 -0.148 0.000 2.442 247 K HA -0.046 4.274 4.320 0.001 0.000 0.198 247 K C 1.791 178.303 176.600 -0.145 0.000 1.044 247 K CA 0.994 57.228 56.287 -0.087 0.000 0.948 247 K CB -0.088 32.373 32.500 -0.064 0.000 0.762 247 K HN 0.331 8.581 8.250 0.000 0.000 0.472 248 A N 0.841 123.567 122.820 -0.156 0.000 2.251 248 A HA 0.000 4.321 4.320 0.001 0.000 0.209 248 A C 0.643 178.094 177.584 -0.222 0.000 1.187 248 A CA 0.428 52.394 52.037 -0.118 0.000 0.823 248 A CB -0.188 18.769 19.000 -0.072 0.000 0.846 248 A HN 0.274 8.424 8.150 0.000 0.000 0.486 249 T N -0.904 113.409 114.554 -0.401 0.000 2.807 249 T HA 0.616 4.967 4.350 0.001 0.000 0.279 249 T C -0.643 173.743 174.700 -0.523 0.000 0.993 249 T CA -0.653 60.858 62.100 -0.983 0.000 0.970 249 T CB 1.717 70.134 68.868 -0.752 0.000 0.950 249 T HN 0.401 8.641 8.240 0.000 0.000 0.441 250 Q N 0.000 119.614 119.800 -0.311 0.000 2.315 250 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 250 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 250 Q CB 0.000 28.607 28.738 -0.219 0.000 1.108 250 Q HN 0.000 8.270 8.270 0.000 0.000 0.481