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 3fco_1_A DATA FIRST_RESID 21 DATA SEQUENCE QPLNEEFRPE MLQGKKVIVT GASKGIGREM AYHLAKMGAH VVVTARSKET DATA SEQUENCE LQKVVSHCLE LGAASAHYIA GTMEDMTFAE QFVAQAGKLM GGLDMLILNH DATA SEQUENCE ITNTSLNLFH DDIHHVRKSM EVNFLSYVVL TVAALPMLKQ SNGSIVVVSS DATA SEQUENCE LAGKVAYPMV AAYSASKFAL DGFFSSIRKE YSVSRVNVSI TLCVLGLIDT DATA SEQUENCE ETAMKAVSGX XHMQAAPKEE CALEIIKGGA LRQEEVYYDS SLWTTLLIRN DATA SEQUENCE PSRKILEFLY STSYNMDRF 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 21 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 21 Q C 0.000 176.033 176.000 0.055 0.000 1.003 21 Q CA 0.000 55.840 55.803 0.061 0.000 1.022 21 Q CB 0.000 28.774 28.738 0.060 0.000 1.108 22 P HA 0.235 4.655 4.420 -0.000 0.000 0.274 22 P C -0.233 177.096 177.300 0.048 0.000 1.237 22 P CA -0.328 62.802 63.100 0.050 0.000 0.793 22 P CB 0.720 32.450 31.700 0.050 0.000 0.977 23 L N 1.687 122.940 121.223 0.050 0.000 2.467 23 L HA 0.071 4.411 4.340 0.001 0.000 0.270 23 L C 1.339 178.238 176.870 0.048 0.000 1.205 23 L CA 0.128 54.997 54.840 0.049 0.000 0.828 23 L CB -0.196 41.896 42.059 0.055 0.000 1.101 23 L HN 0.402 8.632 8.230 -0.000 0.000 0.479 24 N N 1.231 119.956 118.700 0.041 0.000 2.380 24 N HA 0.135 4.875 4.740 0.001 0.000 0.255 24 N C -1.070 174.462 175.510 0.036 0.000 1.158 24 N CA -0.080 52.992 53.050 0.038 0.000 0.878 24 N CB 0.253 38.759 38.487 0.031 0.000 1.138 24 N HN 0.642 9.022 8.380 -0.000 0.000 0.509 25 E N -1.171 119.055 120.200 0.044 0.000 2.408 25 E HA 0.335 4.685 4.350 0.001 0.000 0.275 25 E C -0.746 175.890 176.600 0.059 0.000 0.935 25 E CA -0.835 55.589 56.400 0.040 0.000 0.775 25 E CB 1.592 31.309 29.700 0.028 0.000 1.277 25 E HN 0.024 8.384 8.360 -0.000 0.000 0.455 26 E N 0.505 120.739 120.200 0.057 0.000 2.391 26 E HA 0.134 4.485 4.350 0.001 0.000 0.255 26 E C -0.680 175.988 176.600 0.114 0.000 1.187 26 E CA -0.332 56.122 56.400 0.090 0.000 0.941 26 E CB 0.685 30.430 29.700 0.075 0.000 1.010 26 E HN 0.341 8.701 8.360 -0.000 0.000 0.458 27 F N 0.961 120.916 119.950 0.008 0.000 2.418 27 F HA 0.239 4.766 4.527 0.001 0.000 0.341 27 F C -0.225 175.578 175.800 0.006 0.000 1.120 27 F CA -0.057 57.946 58.000 0.005 0.000 1.232 27 F CB 0.593 39.591 39.000 -0.003 0.000 1.175 27 F HN 0.215 8.515 8.300 -0.000 0.000 0.569 28 R N 5.407 125.255 120.500 -1.087 0.000 2.574 28 R HA 0.296 4.636 4.340 0.001 0.000 0.288 28 R C -2.216 173.380 176.300 -1.173 0.000 1.004 28 R CA -1.658 53.905 56.100 -0.896 0.000 0.895 28 R CB 1.458 31.528 30.300 -0.383 0.000 1.191 28 R HN 0.318 8.588 8.270 -0.000 0.000 0.444 29 P HA -0.262 4.158 4.420 -0.000 0.000 0.218 29 P C 0.463 177.646 177.300 -0.196 0.000 1.146 29 P CA 1.307 64.222 63.100 -0.307 0.000 0.820 29 P CB 0.340 31.992 31.700 -0.079 0.000 0.778 30 E N -0.304 119.768 120.200 -0.213 0.000 2.085 30 E HA -0.172 4.178 4.350 0.001 0.000 0.194 30 E C 1.917 178.469 176.600 -0.080 0.000 0.994 30 E CA 1.184 57.517 56.400 -0.111 0.000 0.801 30 E CB -1.151 28.489 29.700 -0.100 0.000 0.743 30 E HN 0.387 8.747 8.360 -0.000 0.000 0.453 31 M N 0.155 119.680 119.600 -0.126 0.000 2.327 31 M HA -0.165 4.316 4.480 0.001 0.000 0.258 31 M C 1.587 177.907 176.300 0.035 0.000 1.079 31 M CA 1.028 56.304 55.300 -0.039 0.000 1.056 31 M CB -0.181 32.401 32.600 -0.029 0.000 1.387 31 M HN 0.032 8.322 8.290 -0.000 0.000 0.423 32 L N -0.547 120.706 121.223 0.050 0.000 2.590 32 L HA 0.173 4.513 4.340 0.001 0.000 0.227 32 L C 1.114 178.023 176.870 0.064 0.000 1.099 32 L CA 0.524 55.417 54.840 0.088 0.000 0.872 32 L CB -0.669 41.471 42.059 0.134 0.000 1.088 32 L HN 0.365 8.595 8.230 -0.000 0.000 0.479 33 Q N 0.237 120.058 119.800 0.035 0.000 2.286 33 Q HA 0.211 4.551 4.340 0.001 0.000 0.290 33 Q C 1.204 177.235 176.000 0.052 0.000 1.049 33 Q CA 1.091 56.910 55.803 0.027 0.000 0.923 33 Q CB 0.494 29.235 28.738 0.006 0.000 1.183 33 Q HN 0.495 8.765 8.270 -0.000 0.000 0.383 34 G N 3.364 112.205 108.800 0.068 0.000 2.245 34 G HA2 -0.247 3.713 3.960 0.001 0.000 0.264 34 G HA3 -0.247 3.713 3.960 0.001 0.000 0.264 34 G C -0.113 174.925 174.900 0.230 0.000 0.985 34 G CA 0.257 45.454 45.100 0.162 0.000 0.625 34 G HN 0.559 8.849 8.290 -0.000 0.000 0.536 35 K N 1.122 121.610 120.400 0.148 0.000 2.414 35 K HA 0.310 4.630 4.320 0.001 0.000 0.272 35 K C 0.539 177.237 176.600 0.163 0.000 0.993 35 K CA 0.346 56.706 56.287 0.122 0.000 0.964 35 K CB 0.563 33.117 32.500 0.091 0.000 0.925 35 K HN 0.549 8.799 8.250 -0.000 0.000 0.487 36 K N 1.251 121.711 120.400 0.099 0.000 2.274 36 K HA 0.499 4.820 4.320 0.001 0.000 0.262 36 K C -0.685 175.954 176.600 0.064 0.000 0.961 36 K CA -0.879 55.461 56.287 0.089 0.000 0.833 36 K CB 1.596 34.090 32.500 -0.009 0.000 1.102 36 K HN 0.121 8.371 8.250 -0.000 0.000 0.436 37 V N 4.210 124.175 119.914 0.085 0.000 2.686 37 V HA 0.397 4.518 4.120 0.001 0.000 0.306 37 V C -0.329 175.813 176.094 0.080 0.000 1.065 37 V CA -0.916 61.427 62.300 0.072 0.000 0.894 37 V CB 1.948 33.820 31.823 0.082 0.000 1.004 37 V HN 0.696 8.886 8.190 -0.000 0.000 0.424 38 I N 3.867 124.478 120.570 0.069 0.000 2.440 38 I HA 0.550 4.720 4.170 0.001 0.000 0.294 38 I C -0.669 175.516 176.117 0.113 0.000 0.995 38 I CA -0.698 60.674 61.300 0.120 0.000 1.306 38 I CB 1.833 39.912 38.000 0.133 0.000 1.407 38 I HN 0.277 8.487 8.210 -0.000 0.000 0.501 39 V N 4.115 124.111 119.914 0.137 0.000 2.531 39 V HA 0.379 4.500 4.120 0.001 0.000 0.301 39 V C 0.184 176.329 176.094 0.086 0.000 1.034 39 V CA -0.590 61.762 62.300 0.087 0.000 0.865 39 V CB 1.949 33.809 31.823 0.060 0.000 0.995 39 V HN 0.899 9.089 8.190 -0.000 0.000 0.424 40 T N 0.403 114.998 114.554 0.068 0.000 2.936 40 T HA 0.629 4.979 4.350 0.001 0.000 0.282 40 T C 0.936 175.689 174.700 0.088 0.000 1.003 40 T CA 0.121 62.259 62.100 0.064 0.000 1.005 40 T CB 1.508 70.475 68.868 0.165 0.000 1.097 40 T HN 2.023 10.263 8.240 -0.000 0.000 0.532 41 G N 0.119 108.968 108.800 0.081 0.000 2.412 41 G HA2 0.014 3.974 3.960 0.001 0.000 0.297 41 G HA3 0.014 3.974 3.960 0.001 0.000 0.297 41 G C 0.595 175.510 174.900 0.026 0.000 0.965 41 G CA 0.169 45.318 45.100 0.081 0.000 1.134 41 G HN 1.537 9.827 8.290 -0.000 0.000 0.511 42 A N -0.313 122.504 122.820 -0.004 0.000 2.500 42 A HA 0.601 4.921 4.320 0.001 0.000 0.267 42 A C 2.101 179.643 177.584 -0.069 0.000 1.290 42 A CA 1.243 53.260 52.037 -0.033 0.000 0.928 42 A CB -0.054 18.938 19.000 -0.012 0.000 1.066 42 A HN 1.435 9.585 8.150 -0.000 0.000 0.516 43 S N 0.298 115.964 115.700 -0.056 0.000 2.425 43 S HA 0.063 4.533 4.470 0.001 0.000 0.225 43 S C 0.918 175.473 174.600 -0.074 0.000 1.024 43 S CA 0.803 58.962 58.200 -0.068 0.000 0.951 43 S CB -0.120 63.042 63.200 -0.064 0.000 0.796 43 S HN 0.636 8.946 8.310 -0.000 0.000 0.498 44 K N -0.488 119.875 120.400 -0.061 0.000 2.054 44 K HA 0.755 5.075 4.320 0.001 0.000 0.248 44 K C 0.886 177.455 176.600 -0.052 0.000 1.019 44 K CA -0.737 55.517 56.287 -0.054 0.000 0.855 44 K CB -0.525 31.959 32.500 -0.027 0.000 1.473 44 K HN 0.200 8.450 8.250 -0.000 0.000 0.483 45 G N 0.735 109.518 108.800 -0.028 0.000 2.582 45 G HA2 -0.335 3.625 3.960 0.001 0.000 0.300 45 G HA3 -0.335 3.625 3.960 0.001 0.000 0.300 45 G C 0.838 175.726 174.900 -0.020 0.000 1.300 45 G CA 0.673 45.767 45.100 -0.011 0.000 0.959 45 G HN 0.624 8.914 8.290 -0.000 0.000 0.548 46 I N 1.611 122.182 120.570 0.002 0.000 2.286 46 I HA -0.088 4.082 4.170 0.001 0.000 0.248 46 I C 3.083 179.192 176.117 -0.014 0.000 1.115 46 I CA 1.838 63.141 61.300 0.005 0.000 1.392 46 I CB -0.740 37.270 38.000 0.016 0.000 1.065 46 I HN 0.672 8.882 8.210 -0.000 0.000 0.418 47 G N 0.770 109.559 108.800 -0.019 0.000 2.514 47 G HA2 -0.345 3.615 3.960 0.001 0.000 0.217 47 G HA3 -0.345 3.615 3.960 0.001 0.000 0.217 47 G C 1.714 176.555 174.900 -0.099 0.000 1.198 47 G CA 1.172 46.252 45.100 -0.033 0.000 0.780 47 G HN 0.301 8.591 8.290 -0.000 0.000 0.565 48 R N 0.273 120.673 120.500 -0.166 0.000 2.094 48 R HA -0.133 4.207 4.340 0.001 0.000 0.239 48 R C 2.557 178.559 176.300 -0.496 0.000 1.137 48 R CA 1.911 57.778 56.100 -0.388 0.000 0.943 48 R CB -0.272 29.810 30.300 -0.363 0.000 0.850 48 R HN 0.283 8.553 8.270 -0.000 0.000 0.433 49 E N 0.405 120.469 120.200 -0.226 0.000 2.130 49 E HA -0.261 4.089 4.350 0.001 0.000 0.196 49 E C 2.037 178.667 176.600 0.049 0.000 0.998 49 E CA 1.740 58.095 56.400 -0.074 0.000 0.806 49 E CB -0.298 29.440 29.700 0.063 0.000 0.738 49 E HN 0.535 8.895 8.360 -0.000 0.000 0.459 50 M N 0.193 119.823 119.600 0.049 0.000 2.099 50 M HA -0.102 4.379 4.480 0.001 0.000 0.262 50 M C 2.453 178.809 176.300 0.094 0.000 1.067 50 M CA 1.404 56.776 55.300 0.119 0.000 1.124 50 M CB -0.356 32.270 32.600 0.044 0.000 1.353 50 M HN 0.098 8.388 8.290 -0.000 0.000 0.410 51 A N 0.313 123.130 122.820 -0.007 0.000 1.869 51 A HA -0.239 4.082 4.320 0.001 0.000 0.218 51 A C 1.876 179.554 177.584 0.157 0.000 1.203 51 A CA 1.904 53.959 52.037 0.030 0.000 0.638 51 A CB -1.344 17.619 19.000 -0.062 0.000 0.831 51 A HN 0.468 8.618 8.150 -0.000 0.000 0.450 52 Y N 0.068 120.389 120.300 0.035 0.000 2.114 52 Y HA -0.252 4.299 4.550 0.001 0.000 0.282 52 Y C 2.674 178.553 175.900 -0.035 0.000 1.165 52 Y CA 1.275 59.365 58.100 -0.016 0.000 1.148 52 Y CB -1.294 37.135 38.460 -0.052 0.000 0.972 52 Y HN 0.509 8.789 8.280 -0.000 0.000 0.504 53 H N -0.717 118.472 119.070 0.198 0.000 2.389 53 H HA -0.069 4.488 4.556 0.001 0.000 0.299 53 H C 2.456 177.848 175.328 0.108 0.000 1.081 53 H CA 1.361 57.484 56.048 0.126 0.000 1.345 53 H CB -0.382 29.428 29.762 0.079 0.000 1.393 53 H HN 0.318 8.598 8.280 -0.000 0.000 0.520 54 L N 0.182 121.542 121.223 0.227 0.000 2.027 54 L HA -0.134 4.207 4.340 0.001 0.000 0.206 54 L C 2.953 179.894 176.870 0.118 0.000 1.074 54 L CA 0.920 55.854 54.840 0.157 0.000 0.745 54 L CB -0.482 41.654 42.059 0.128 0.000 0.898 54 L HN 0.193 8.423 8.230 -0.000 0.000 0.433 55 A N 0.356 123.244 122.820 0.113 0.000 1.865 55 A HA -0.298 4.022 4.320 0.001 0.000 0.217 55 A C 2.296 179.897 177.584 0.028 0.000 1.191 55 A CA 2.157 54.227 52.037 0.055 0.000 0.623 55 A CB -0.576 18.452 19.000 0.047 0.000 0.826 55 A HN 0.330 8.480 8.150 -0.000 0.000 0.444 56 K N -1.292 119.135 120.400 0.044 0.000 2.520 56 K HA -0.017 4.303 4.320 0.001 0.000 0.197 56 K C 1.556 178.182 176.600 0.042 0.000 1.043 56 K CA 1.336 57.638 56.287 0.026 0.000 0.944 56 K CB -0.225 32.304 32.500 0.048 0.000 0.770 56 K HN 0.550 8.800 8.250 -0.000 0.000 0.480 57 M N -1.513 118.124 119.600 0.061 0.000 2.461 57 M HA 0.164 4.644 4.480 0.001 0.000 0.255 57 M C 0.467 176.782 176.300 0.024 0.000 1.137 57 M CA 0.575 55.911 55.300 0.060 0.000 1.086 57 M CB 1.326 33.991 32.600 0.107 0.000 1.356 57 M HN 0.285 8.575 8.290 -0.000 0.000 0.487 58 G N 1.810 110.613 108.800 0.005 0.000 2.325 58 G HA2 -0.056 3.904 3.960 0.001 0.000 0.248 58 G HA3 -0.056 3.904 3.960 0.001 0.000 0.248 58 G C -0.270 174.602 174.900 -0.047 0.000 1.108 58 G CA 0.032 45.110 45.100 -0.038 0.000 0.881 58 G HN 0.624 8.914 8.290 -0.000 0.000 0.494 59 A N 0.724 123.534 122.820 -0.016 0.000 2.320 59 A HA 0.843 5.163 4.320 0.001 0.000 0.334 59 A C 0.385 177.956 177.584 -0.021 0.000 1.147 59 A CA -0.703 51.348 52.037 0.023 0.000 0.820 59 A CB 0.749 19.799 19.000 0.084 0.000 1.218 59 A HN 0.511 8.661 8.150 -0.000 0.000 0.482 60 H N -0.343 118.763 119.070 0.060 0.000 2.615 60 H HA 0.469 5.025 4.556 0.001 0.000 0.363 60 H C -0.917 174.464 175.328 0.088 0.000 1.148 60 H CA 0.145 56.239 56.048 0.076 0.000 1.401 60 H CB 1.303 31.102 29.762 0.063 0.000 1.461 60 H HN 0.303 8.583 8.280 -0.000 0.000 0.588 61 V N 3.121 123.175 119.914 0.232 0.000 2.655 61 V HA 0.112 4.233 4.120 0.001 0.000 0.301 61 V C -0.583 175.642 176.094 0.219 0.000 1.082 61 V CA -0.687 61.724 62.300 0.185 0.000 0.899 61 V CB 2.213 34.124 31.823 0.147 0.000 1.014 61 V HN 0.433 8.623 8.190 -0.000 0.000 0.429 62 V N 5.788 125.818 119.914 0.192 0.000 2.487 62 V HA 0.654 4.774 4.120 0.001 0.000 0.298 62 V C -0.247 176.006 176.094 0.264 0.000 1.028 62 V CA -0.611 61.829 62.300 0.234 0.000 0.860 62 V CB 2.069 33.993 31.823 0.169 0.000 0.991 62 V HN 0.738 8.928 8.190 -0.000 0.000 0.427 63 V N 1.924 122.001 119.914 0.273 0.000 2.815 63 V HA 0.973 5.094 4.120 0.001 0.000 0.314 63 V C -0.312 175.910 176.094 0.213 0.000 1.064 63 V CA -0.354 62.071 62.300 0.207 0.000 0.952 63 V CB 1.896 33.805 31.823 0.143 0.000 1.020 63 V HN 0.862 9.052 8.190 -0.000 0.000 0.439 64 T N 1.384 115.977 114.554 0.064 0.000 2.900 64 T HA 0.909 5.259 4.350 0.001 0.000 0.303 64 T C -0.558 174.083 174.700 -0.097 0.000 1.142 64 T CA 0.408 62.470 62.100 -0.064 0.000 1.007 64 T CB 1.688 70.249 68.868 -0.512 0.000 1.156 64 T HN 2.154 10.394 8.240 -0.000 0.000 0.490 65 A N 2.760 125.523 122.820 -0.096 0.000 2.573 65 A HA 0.667 4.988 4.320 0.001 0.000 0.310 65 A C 0.487 177.988 177.584 -0.138 0.000 1.142 65 A CA -0.553 51.418 52.037 -0.109 0.000 0.620 65 A CB 0.451 19.408 19.000 -0.072 0.000 1.382 65 A HN 0.777 8.927 8.150 -0.000 0.000 0.545 66 R N 0.014 120.435 120.500 -0.131 0.000 2.100 66 R HA 0.152 4.492 4.340 0.001 0.000 0.220 66 R C 0.032 176.262 176.300 -0.117 0.000 1.091 66 R CA 1.206 57.215 56.100 -0.152 0.000 0.986 66 R CB -0.039 30.185 30.300 -0.127 0.000 0.888 66 R HN 0.527 8.797 8.270 -0.000 0.000 0.444 67 S N 2.059 117.700 115.700 -0.099 0.000 2.416 67 S HA 0.065 4.535 4.470 0.001 0.000 0.287 67 S C 0.929 175.443 174.600 -0.143 0.000 1.139 67 S CA -0.366 57.776 58.200 -0.098 0.000 1.058 67 S CB 1.361 64.512 63.200 -0.082 0.000 0.967 67 S HN 0.286 8.596 8.310 -0.000 0.000 0.495 68 K N 2.662 122.978 120.400 -0.139 0.000 2.211 68 K HA -0.112 4.209 4.320 0.001 0.000 0.203 68 K C 0.618 177.015 176.600 -0.340 0.000 1.050 68 K CA 1.235 57.367 56.287 -0.259 0.000 0.945 68 K CB -0.026 32.434 32.500 -0.066 0.000 0.732 68 K HN 0.340 8.590 8.250 -0.000 0.000 0.451 69 E N 1.529 121.621 120.200 -0.180 0.000 2.015 69 E HA -0.132 4.218 4.350 0.001 0.000 0.191 69 E C 2.266 178.781 176.600 -0.141 0.000 0.991 69 E CA 2.352 58.671 56.400 -0.136 0.000 0.802 69 E CB -0.800 28.855 29.700 -0.075 0.000 0.759 69 E HN 0.591 8.951 8.360 -0.000 0.000 0.447 70 T N 0.121 114.603 114.554 -0.119 0.000 2.699 70 T HA -0.196 4.155 4.350 0.001 0.000 0.268 70 T C 2.019 176.649 174.700 -0.118 0.000 1.036 70 T CA 1.234 63.278 62.100 -0.092 0.000 1.147 70 T CB -0.679 68.144 68.868 -0.074 0.000 0.862 70 T HN 0.007 8.247 8.240 -0.000 0.000 0.446 71 L N 0.856 121.958 121.223 -0.201 0.000 1.956 71 L HA -0.218 4.123 4.340 0.001 0.000 0.216 71 L C 3.167 179.911 176.870 -0.210 0.000 1.073 71 L CA 1.975 56.672 54.840 -0.238 0.000 0.762 71 L CB -0.797 40.998 42.059 -0.441 0.000 0.889 71 L HN 0.282 8.512 8.230 -0.000 0.000 0.433 72 Q N 0.251 119.835 119.800 -0.360 0.000 2.118 72 Q HA -0.265 4.075 4.340 0.001 0.000 0.211 72 Q C 2.116 178.107 176.000 -0.014 0.000 0.998 72 Q CA 1.847 57.560 55.803 -0.150 0.000 0.872 72 Q CB -0.151 28.508 28.738 -0.132 0.000 0.925 72 Q HN 0.139 8.409 8.270 -0.000 0.000 0.414 73 K N -0.496 119.892 120.400 -0.020 0.000 2.015 73 K HA -0.164 4.157 4.320 0.001 0.000 0.220 73 K C 2.127 178.798 176.600 0.118 0.000 1.055 73 K CA 1.730 58.041 56.287 0.040 0.000 0.951 73 K CB -1.159 31.357 32.500 0.028 0.000 0.725 73 K HN 0.239 8.489 8.250 -0.000 0.000 0.449 74 V N 1.195 121.180 119.914 0.117 0.000 2.255 74 V HA -0.237 3.883 4.120 0.001 0.000 0.247 74 V C 2.589 178.828 176.094 0.241 0.000 1.051 74 V CA 1.728 64.161 62.300 0.222 0.000 1.018 74 V CB -0.529 31.329 31.823 0.059 0.000 0.641 74 V HN 0.032 8.222 8.190 -0.000 0.000 0.445 75 V N -0.051 119.958 119.914 0.158 0.000 2.282 75 V HA -0.305 3.815 4.120 0.001 0.000 0.249 75 V C 2.582 178.748 176.094 0.120 0.000 1.057 75 V CA 2.523 64.915 62.300 0.154 0.000 1.032 75 V CB -0.848 31.090 31.823 0.192 0.000 0.645 75 V HN 0.570 8.760 8.190 -0.000 0.000 0.447 76 S N -1.708 114.061 115.700 0.116 0.000 2.370 76 S HA -0.244 4.226 4.470 0.001 0.000 0.226 76 S C 1.968 176.624 174.600 0.094 0.000 1.033 76 S CA 1.578 59.829 58.200 0.086 0.000 1.011 76 S CB -0.482 62.764 63.200 0.077 0.000 0.852 76 S HN 0.737 9.047 8.310 -0.000 0.000 0.457 77 H N -0.028 119.070 119.070 0.047 0.000 2.395 77 H HA -0.041 4.515 4.556 0.001 0.000 0.299 77 H C 2.101 177.416 175.328 -0.022 0.000 1.070 77 H CA 1.420 57.449 56.048 -0.032 0.000 1.356 77 H CB -0.200 29.482 29.762 -0.133 0.000 1.401 77 H HN 0.397 8.677 8.280 -0.000 0.000 0.524 78 C N 0.924 120.264 119.300 0.067 0.000 2.413 78 C HA -0.139 4.321 4.460 0.001 0.000 0.277 78 C C 3.059 178.008 174.990 -0.069 0.000 1.265 78 C CA 0.558 59.589 59.018 0.022 0.000 1.752 78 C CB -1.147 26.672 27.740 0.131 0.000 1.998 78 C HN 0.495 8.725 8.230 -0.000 0.000 0.489 79 L N 0.849 122.044 121.223 -0.047 0.000 2.012 79 L HA -0.203 4.138 4.340 0.001 0.000 0.210 79 L C 2.680 179.487 176.870 -0.104 0.000 1.073 79 L CA 1.832 56.634 54.840 -0.064 0.000 0.748 79 L CB -0.847 41.187 42.059 -0.042 0.000 0.891 79 L HN 0.489 8.719 8.230 -0.000 0.000 0.431 80 E N 0.077 120.189 120.200 -0.147 0.000 2.204 80 E HA -0.188 4.162 4.350 0.001 0.000 0.194 80 E C 2.137 178.606 176.600 -0.220 0.000 0.989 80 E CA 0.865 57.165 56.400 -0.166 0.000 0.824 80 E CB -0.136 29.471 29.700 -0.154 0.000 0.756 80 E HN 0.503 8.863 8.360 -0.000 0.000 0.477 81 L N -0.301 120.738 121.223 -0.306 0.000 2.492 81 L HA 0.124 4.465 4.340 0.001 0.000 0.223 81 L C 1.210 177.999 176.870 -0.134 0.000 1.132 81 L CA 0.533 55.216 54.840 -0.262 0.000 0.850 81 L CB 0.271 42.129 42.059 -0.336 0.000 0.966 81 L HN 0.301 8.531 8.230 -0.000 0.000 0.454 82 G N -0.159 108.575 108.800 -0.111 0.000 2.181 82 G HA2 -0.109 3.851 3.960 0.001 0.000 0.152 82 G HA3 -0.109 3.851 3.960 0.001 0.000 0.152 82 G C 0.275 175.133 174.900 -0.070 0.000 1.026 82 G CA -0.340 44.714 45.100 -0.077 0.000 0.699 82 G HN 0.405 8.695 8.290 -0.000 0.000 0.497 83 A N -0.037 122.742 122.820 -0.068 0.000 2.555 83 A HA 0.672 4.993 4.320 0.001 0.000 0.233 83 A C 1.882 179.390 177.584 -0.127 0.000 1.060 83 A CA 1.128 53.123 52.037 -0.070 0.000 0.759 83 A CB 0.256 19.236 19.000 -0.033 0.000 0.995 83 A HN 1.919 10.069 8.150 -0.000 0.000 0.506 84 A N 1.671 124.346 122.820 -0.243 0.000 1.972 84 A HA 0.322 4.643 4.320 0.001 0.000 0.219 84 A C 1.149 178.568 177.584 -0.276 0.000 1.169 84 A CA 1.836 53.628 52.037 -0.407 0.000 0.635 84 A CB -0.620 17.784 19.000 -0.994 0.000 0.810 84 A HN 2.158 10.308 8.150 -0.000 0.000 0.446 85 S N -4.246 111.360 115.700 -0.157 0.000 2.627 85 S HA 0.663 5.134 4.470 0.001 0.000 0.268 85 S C -0.882 173.773 174.600 0.091 0.000 1.130 85 S CA -0.259 57.969 58.200 0.047 0.000 0.819 85 S CB 0.839 64.222 63.200 0.305 0.000 1.100 85 S HN 1.812 10.122 8.310 -0.000 0.000 0.465 86 A N 1.033 123.863 122.820 0.016 0.000 2.532 86 A HA 0.797 5.117 4.320 0.001 0.000 0.296 86 A C -1.081 176.404 177.584 -0.165 0.000 1.058 86 A CA -0.653 51.415 52.037 0.051 0.000 0.729 86 A CB 0.773 19.786 19.000 0.022 0.000 1.285 86 A HN 0.924 9.074 8.150 -0.000 0.000 0.396 87 H N -0.034 119.110 119.070 0.123 0.000 2.947 87 H HA 0.705 5.261 4.556 0.001 0.000 0.290 87 H C -1.415 174.033 175.328 0.200 0.000 1.430 87 H CA -0.348 55.764 56.048 0.106 0.000 1.189 87 H CB 2.087 31.861 29.762 0.019 0.000 1.875 87 H HN 0.970 9.250 8.280 -0.000 0.000 0.568 88 Y N -0.791 119.664 120.300 0.259 0.000 2.625 88 Y HA 0.742 5.292 4.550 0.001 0.000 0.338 88 Y C -1.930 174.102 175.900 0.220 0.000 1.123 88 Y CA -1.199 57.023 58.100 0.202 0.000 1.046 88 Y CB 1.348 39.884 38.460 0.125 0.000 1.299 88 Y HN 0.488 8.768 8.280 -0.000 0.000 0.464 89 I N 1.963 122.807 120.570 0.456 0.000 2.680 89 I HA 0.694 4.865 4.170 0.001 0.000 0.291 89 I C -1.056 175.295 176.117 0.390 0.000 1.244 89 I CA -1.271 60.255 61.300 0.377 0.000 1.042 89 I CB 2.289 40.564 38.000 0.459 0.000 1.277 89 I HN 0.976 9.186 8.210 -0.000 0.000 0.423 90 A N 3.955 126.956 122.820 0.303 0.000 2.324 90 A HA 1.013 5.334 4.320 0.001 0.000 0.330 90 A C -0.043 177.351 177.584 -0.318 0.000 1.165 90 A CA -0.186 51.883 52.037 0.052 0.000 0.813 90 A CB 1.404 20.438 19.000 0.056 0.000 1.197 90 A HN 1.016 9.166 8.150 -0.000 0.000 0.484 91 G N -0.687 107.677 108.800 -0.726 0.000 2.349 91 G HA2 0.532 4.492 3.960 0.001 0.000 0.294 91 G HA3 0.532 4.492 3.960 0.001 0.000 0.294 91 G C -0.792 173.583 174.900 -0.875 0.000 1.380 91 G CA 0.262 44.559 45.100 -1.338 0.000 0.811 91 G HN 1.173 9.463 8.290 -0.000 0.000 0.519 92 T N -0.219 113.948 114.554 -0.645 0.000 2.859 92 T HA 0.483 4.833 4.350 0.001 0.000 0.281 92 T C 1.142 175.783 174.700 -0.098 0.000 1.005 92 T CA -0.628 61.306 62.100 -0.277 0.000 1.025 92 T CB 0.968 69.742 68.868 -0.158 0.000 0.977 92 T HN 0.310 8.550 8.240 -0.000 0.000 0.458 93 M N 2.914 122.493 119.600 -0.035 0.000 2.563 93 M HA 0.173 4.653 4.480 0.001 0.000 0.231 93 M C 1.502 177.862 176.300 0.100 0.000 1.136 93 M CA 0.474 55.811 55.300 0.061 0.000 1.026 93 M CB -0.774 31.776 32.600 -0.084 0.000 1.597 93 M HN 0.768 9.058 8.290 -0.000 0.000 0.495 94 E N 0.618 120.854 120.200 0.060 0.000 2.338 94 E HA -0.130 4.221 4.350 0.001 0.000 0.197 94 E C 0.300 176.939 176.600 0.066 0.000 1.007 94 E CA 0.555 56.990 56.400 0.059 0.000 0.849 94 E CB 0.198 29.918 29.700 0.033 0.000 0.774 94 E HN 0.278 8.638 8.360 -0.000 0.000 0.506 95 D N -0.187 120.266 120.400 0.088 0.000 2.412 95 D HA 0.029 4.670 4.640 0.001 0.000 0.224 95 D C 0.934 177.325 176.300 0.153 0.000 1.093 95 D CA -0.207 53.861 54.000 0.113 0.000 0.850 95 D CB 0.804 41.667 40.800 0.107 0.000 1.046 95 D HN -0.162 8.208 8.370 -0.000 0.000 0.507 96 M N 2.159 121.816 119.600 0.096 0.000 2.159 96 M HA -0.108 4.373 4.480 0.001 0.000 0.263 96 M C 1.753 178.096 176.300 0.072 0.000 1.063 96 M CA 1.103 56.447 55.300 0.074 0.000 1.110 96 M CB -1.339 31.283 32.600 0.037 0.000 1.374 96 M HN 0.338 8.628 8.290 -0.000 0.000 0.411 97 T N 0.896 115.500 114.554 0.082 0.000 2.720 97 T HA -0.169 4.181 4.350 0.001 0.000 0.268 97 T C 1.540 176.296 174.700 0.094 0.000 1.037 97 T CA 1.473 63.617 62.100 0.074 0.000 1.144 97 T CB -0.487 68.427 68.868 0.077 0.000 0.864 97 T HN 0.385 8.625 8.240 -0.000 0.000 0.444 98 F N 2.204 122.176 119.950 0.036 0.000 2.146 98 F HA 0.124 4.651 4.527 0.001 0.000 0.298 98 F C 2.401 178.259 175.800 0.097 0.000 1.096 98 F CA 0.820 58.851 58.000 0.052 0.000 1.275 98 F CB -0.782 38.230 39.000 0.021 0.000 1.008 98 F HN 0.128 8.428 8.300 -0.000 0.000 0.480 99 A N 0.360 123.118 122.820 -0.104 0.000 1.892 99 A HA -0.282 4.038 4.320 0.001 0.000 0.218 99 A C 2.302 179.826 177.584 -0.100 0.000 1.188 99 A CA 2.037 53.996 52.037 -0.130 0.000 0.631 99 A CB -1.255 17.777 19.000 0.053 0.000 0.822 99 A HN 0.610 8.760 8.150 -0.000 0.000 0.447 100 E N -0.509 119.654 120.200 -0.061 0.000 2.038 100 E HA -0.281 4.069 4.350 0.001 0.000 0.195 100 E C 2.243 178.781 176.600 -0.104 0.000 1.000 100 E CA 1.660 58.025 56.400 -0.057 0.000 0.803 100 E CB -0.184 29.499 29.700 -0.028 0.000 0.750 100 E HN 0.775 9.135 8.360 -0.000 0.000 0.448 101 Q N -0.416 119.316 119.800 -0.114 0.000 2.119 101 Q HA -0.163 4.178 4.340 0.001 0.000 0.201 101 Q C 2.030 177.912 176.000 -0.197 0.000 0.972 101 Q CA 1.338 57.068 55.803 -0.122 0.000 0.847 101 Q CB -0.312 28.392 28.738 -0.058 0.000 0.903 101 Q HN 0.345 8.615 8.270 -0.000 0.000 0.433 102 F N 0.958 120.619 119.950 -0.482 0.000 2.115 102 F HA -0.263 4.264 4.527 0.001 0.000 0.300 102 F C 1.775 177.417 175.800 -0.264 0.000 1.092 102 F CA 1.322 59.010 58.000 -0.522 0.000 1.245 102 F CB -0.353 38.100 39.000 -0.911 0.000 0.995 102 F HN -0.175 8.125 8.300 -0.000 0.000 0.481 103 V N 0.594 120.161 119.914 -0.578 0.000 2.453 103 V HA -0.202 3.918 4.120 0.001 0.000 0.247 103 V C 2.796 178.635 176.094 -0.426 0.000 1.048 103 V CA 1.466 63.405 62.300 -0.602 0.000 1.049 103 V CB -1.566 30.102 31.823 -0.258 0.000 0.672 103 V HN 0.527 8.717 8.190 -0.000 0.000 0.457 104 A N -0.501 122.147 122.820 -0.287 0.000 1.865 104 A HA -0.334 3.986 4.320 0.001 0.000 0.217 104 A C 2.169 179.615 177.584 -0.231 0.000 1.191 104 A CA 2.280 54.193 52.037 -0.207 0.000 0.623 104 A CB -0.634 18.282 19.000 -0.139 0.000 0.826 104 A HN 0.538 8.688 8.150 -0.000 0.000 0.444 105 Q N -0.694 118.958 119.800 -0.245 0.000 2.062 105 Q HA -0.196 4.145 4.340 0.001 0.000 0.209 105 Q C 2.375 178.216 176.000 -0.264 0.000 0.996 105 Q CA 2.398 58.076 55.803 -0.209 0.000 0.859 105 Q CB -0.487 28.164 28.738 -0.144 0.000 0.920 105 Q HN 0.690 8.960 8.270 -0.000 0.000 0.415 106 A N -0.037 122.532 122.820 -0.419 0.000 1.933 106 A HA -0.122 4.198 4.320 0.001 0.000 0.218 106 A C 2.235 179.653 177.584 -0.276 0.000 1.175 106 A CA 1.688 53.495 52.037 -0.384 0.000 0.628 106 A CB -1.231 17.403 19.000 -0.610 0.000 0.814 106 A HN 0.533 8.683 8.150 -0.000 0.000 0.444 107 G N -0.531 108.110 108.800 -0.266 0.000 2.418 107 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 107 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 107 G C 1.691 176.492 174.900 -0.164 0.000 1.158 107 G CA 1.055 46.042 45.100 -0.189 0.000 0.771 107 G HN 0.524 8.814 8.290 -0.000 0.000 0.545 108 K N -0.492 119.810 120.400 -0.164 0.000 1.991 108 K HA -0.051 4.270 4.320 0.001 0.000 0.212 108 K C 2.368 178.869 176.600 -0.164 0.000 1.049 108 K CA 0.971 57.173 56.287 -0.142 0.000 0.932 108 K CB -0.414 32.011 32.500 -0.126 0.000 0.717 108 K HN 0.141 8.391 8.250 -0.000 0.000 0.441 109 L N 0.583 121.679 121.223 -0.211 0.000 2.357 109 L HA -0.175 4.165 4.340 0.001 0.000 0.220 109 L C 1.898 178.616 176.870 -0.254 0.000 1.123 109 L CA 1.677 56.339 54.840 -0.297 0.000 0.782 109 L CB -0.443 41.346 42.059 -0.451 0.000 0.910 109 L HN 0.338 8.568 8.230 -0.000 0.000 0.442 110 M N -2.739 116.744 119.600 -0.195 0.000 2.249 110 M HA 0.326 4.806 4.480 0.001 0.000 0.318 110 M C 1.119 177.301 176.300 -0.196 0.000 0.930 110 M CA 0.561 55.746 55.300 -0.191 0.000 1.080 110 M CB 0.816 33.325 32.600 -0.152 0.000 1.797 110 M HN 0.164 8.454 8.290 -0.000 0.000 0.619 111 G N 2.151 110.859 108.800 -0.153 0.000 2.298 111 G HA2 0.055 4.016 3.960 0.001 0.000 0.287 111 G HA3 0.055 4.016 3.960 0.001 0.000 0.287 111 G C 0.263 175.091 174.900 -0.119 0.000 1.075 111 G CA 0.282 45.307 45.100 -0.126 0.000 0.960 111 G HN 0.915 9.205 8.290 -0.000 0.000 0.502 112 G N -1.754 106.977 108.800 -0.116 0.000 2.334 112 G HA2 0.524 4.484 3.960 0.001 0.000 0.315 112 G HA3 0.524 4.484 3.960 0.001 0.000 0.315 112 G C -1.492 173.355 174.900 -0.089 0.000 1.284 112 G CA -0.086 44.957 45.100 -0.095 0.000 0.985 112 G HN 1.799 10.089 8.290 -0.000 0.000 0.504 113 L N 0.054 121.239 121.223 -0.062 0.000 2.676 113 L HA 0.623 4.964 4.340 0.001 0.000 0.262 113 L C -0.316 176.544 176.870 -0.018 0.000 0.932 113 L CA -0.426 54.389 54.840 -0.042 0.000 0.932 113 L CB 1.899 43.927 42.059 -0.051 0.000 1.355 113 L HN 0.704 8.934 8.230 -0.000 0.000 0.421 114 D N 3.685 124.086 120.400 0.002 0.000 2.422 114 D HA 0.215 4.856 4.640 0.001 0.000 0.218 114 D C -0.017 176.298 176.300 0.025 0.000 1.047 114 D CA 0.525 54.535 54.000 0.016 0.000 0.885 114 D CB 1.117 41.935 40.800 0.029 0.000 1.035 114 D HN 0.446 8.816 8.370 -0.000 0.000 0.502 115 M N 1.366 120.982 119.600 0.027 0.000 2.322 115 M HA 0.295 4.775 4.480 0.001 0.000 0.286 115 M C -2.299 174.016 176.300 0.025 0.000 1.111 115 M CA -0.738 54.580 55.300 0.029 0.000 0.941 115 M CB 2.720 35.341 32.600 0.036 0.000 1.671 115 M HN -0.191 8.099 8.290 -0.000 0.000 0.470 116 L N 6.822 128.057 121.223 0.019 0.000 2.294 116 L HA 0.638 4.978 4.340 0.001 0.000 0.283 116 L C -1.607 175.250 176.870 -0.023 0.000 1.015 116 L CA -0.150 54.697 54.840 0.012 0.000 0.831 116 L CB 1.056 43.130 42.059 0.024 0.000 1.217 116 L HN 0.665 8.895 8.230 -0.000 0.000 0.420 117 I N 6.552 127.109 120.570 -0.021 0.000 2.330 117 I HA 0.309 4.479 4.170 0.001 0.000 0.289 117 I C -0.747 175.303 176.117 -0.113 0.000 1.001 117 I CA -0.543 60.721 61.300 -0.061 0.000 1.193 117 I CB 1.294 39.280 38.000 -0.023 0.000 1.345 117 I HN 0.469 8.679 8.210 -0.000 0.000 0.461 118 L N 6.426 127.501 121.223 -0.246 0.000 2.298 118 L HA 0.390 4.731 4.340 0.001 0.000 0.284 118 L C 0.299 176.940 176.870 -0.382 0.000 1.013 118 L CA -0.060 54.466 54.840 -0.524 0.000 0.824 118 L CB 1.360 42.771 42.059 -1.080 0.000 1.221 118 L HN 0.622 8.852 8.230 -0.000 0.000 0.418 119 N N 0.362 118.944 118.700 -0.198 0.000 2.249 119 N HA -0.037 4.703 4.740 0.001 0.000 0.239 119 N C 0.399 175.951 175.510 0.070 0.000 1.185 119 N CA -0.298 52.746 53.050 -0.009 0.000 0.825 119 N CB 0.501 38.993 38.487 0.008 0.000 1.372 119 N HN 0.650 9.030 8.380 -0.000 0.000 0.472 120 H N 1.064 120.203 119.070 0.114 0.000 2.836 120 H HA 0.319 4.876 4.556 0.001 0.000 0.368 120 H C 0.314 175.770 175.328 0.214 0.000 1.164 120 H CA 0.380 56.511 56.048 0.138 0.000 1.425 120 H CB 0.630 30.453 29.762 0.100 0.000 1.414 120 H HN 0.332 8.612 8.280 -0.000 0.000 0.614 121 I N -2.049 118.655 120.570 0.224 0.000 3.095 121 I HA 0.359 4.529 4.170 0.001 0.000 0.310 121 I C -0.246 175.987 176.117 0.193 0.000 1.196 121 I CA -1.240 60.157 61.300 0.162 0.000 0.985 121 I CB 2.335 40.433 38.000 0.163 0.000 1.250 121 I HN 0.523 8.733 8.210 -0.000 0.000 0.446 122 T N 1.802 116.456 114.554 0.167 0.000 2.897 122 T HA 0.266 4.617 4.350 0.001 0.000 0.294 122 T C 0.100 174.899 174.700 0.165 0.000 1.004 122 T CA -0.204 61.989 62.100 0.156 0.000 1.106 122 T CB -0.058 68.893 68.868 0.139 0.000 0.949 122 T HN 0.618 8.858 8.240 -0.000 0.000 0.520 123 N N 2.738 121.517 118.700 0.132 0.000 2.356 123 N HA 0.198 4.938 4.740 0.001 0.000 0.252 123 N C -0.001 175.603 175.510 0.157 0.000 1.241 123 N CA 0.397 53.512 53.050 0.109 0.000 0.861 123 N CB 0.702 39.230 38.487 0.068 0.000 1.075 123 N HN 0.715 9.095 8.380 -0.000 0.000 0.461 124 T N -1.406 113.221 114.554 0.122 0.000 2.821 124 T HA 0.713 5.064 4.350 0.001 0.000 0.306 124 T C -0.945 173.763 174.700 0.012 0.000 1.313 124 T CA -0.681 61.507 62.100 0.147 0.000 1.012 124 T CB 0.693 69.730 68.868 0.282 0.000 1.298 124 T HN 0.488 8.728 8.240 -0.000 0.000 0.502 125 S N 1.658 117.336 115.700 -0.037 0.000 2.720 125 S HA 0.748 5.218 4.470 0.001 0.000 0.287 125 S C -1.100 173.471 174.600 -0.048 0.000 1.168 125 S CA -1.112 57.057 58.200 -0.052 0.000 0.832 125 S CB 0.819 63.986 63.200 -0.055 0.000 1.166 125 S HN 0.821 9.131 8.310 -0.000 0.000 0.493 126 L N 2.139 123.335 121.223 -0.045 0.000 2.278 126 L HA 0.564 4.904 4.340 0.001 0.000 0.287 126 L C -0.252 176.615 176.870 -0.005 0.000 1.072 126 L CA -0.332 54.491 54.840 -0.028 0.000 0.819 126 L CB -0.117 41.922 42.059 -0.033 0.000 1.176 126 L HN 0.597 8.827 8.230 -0.000 0.000 0.435 127 N N 3.365 122.079 118.700 0.023 0.000 2.598 127 N HA 0.393 5.133 4.740 0.001 0.000 0.263 127 N C -0.939 174.616 175.510 0.075 0.000 1.254 127 N CA -0.737 52.332 53.050 0.031 0.000 0.863 127 N CB 2.350 40.845 38.487 0.014 0.000 1.586 127 N HN 0.366 8.746 8.380 -0.000 0.000 0.491 128 L N 1.009 122.270 121.223 0.063 0.000 2.483 128 L HA 0.148 4.489 4.340 0.001 0.000 0.276 128 L C 0.253 177.214 176.870 0.152 0.000 1.213 128 L CA 0.055 54.953 54.840 0.097 0.000 0.843 128 L CB 0.131 42.217 42.059 0.044 0.000 1.107 128 L HN 0.505 8.735 8.230 -0.000 0.000 0.487 129 F N 1.681 121.675 119.950 0.074 0.000 2.410 129 F HA 0.185 4.712 4.527 0.000 0.000 0.348 129 F C 0.555 176.447 175.800 0.153 0.000 1.106 129 F CA 0.083 58.143 58.000 0.099 0.000 1.163 129 F CB 0.717 39.764 39.000 0.079 0.000 1.129 129 F HN 0.473 8.773 8.300 -0.000 0.000 0.516 130 H N 2.369 120.886 119.070 -0.922 0.000 2.067 130 H HA 0.234 4.791 4.556 0.000 0.000 0.220 130 H C 0.421 175.159 175.328 -0.984 0.000 0.883 130 H CA 1.042 56.635 56.048 -0.759 0.000 1.042 130 H CB 0.300 29.863 29.762 -0.331 0.000 1.305 130 H HN 0.686 8.966 8.280 -0.000 0.000 0.430 131 D N -1.062 118.779 120.400 -0.931 0.000 2.218 131 D HA 0.028 4.668 4.640 0.001 0.000 0.307 131 D C -0.260 175.850 176.300 -0.316 0.000 1.086 131 D CA 0.026 53.665 54.000 -0.603 0.000 0.886 131 D CB 0.518 41.093 40.800 -0.375 0.000 1.645 131 D HN 0.126 8.496 8.370 -0.000 0.000 0.523 132 D N 0.942 121.223 120.400 -0.199 0.000 2.545 132 D HA 0.063 4.704 4.640 0.001 0.000 0.227 132 D C 1.254 177.653 176.300 0.164 0.000 1.150 132 D CA -0.001 54.029 54.000 0.050 0.000 1.046 132 D CB -0.223 40.655 40.800 0.130 0.000 1.098 132 D HN 0.234 8.604 8.370 -0.000 0.000 0.502 133 I N 1.706 122.281 120.570 0.007 0.000 2.423 133 I HA -0.263 3.908 4.170 0.001 0.000 0.254 133 I C 2.094 178.174 176.117 -0.061 0.000 1.151 133 I CA 0.926 62.209 61.300 -0.028 0.000 1.421 133 I CB -0.271 37.615 38.000 -0.191 0.000 1.079 133 I HN 0.406 8.616 8.210 -0.000 0.000 0.431 134 H N -1.248 117.893 119.070 0.119 0.000 2.462 134 H HA -0.120 4.436 4.556 0.001 0.000 0.292 134 H C 2.040 177.453 175.328 0.142 0.000 1.049 134 H CA 1.563 57.672 56.048 0.102 0.000 1.334 134 H CB -0.285 29.526 29.762 0.083 0.000 1.404 134 H HN 0.482 8.762 8.280 -0.000 0.000 0.544 135 H N 0.858 120.033 119.070 0.176 0.000 2.415 135 H HA -0.001 4.555 4.556 0.001 0.000 0.297 135 H C 2.131 177.534 175.328 0.124 0.000 1.048 135 H CA 0.936 57.073 56.048 0.148 0.000 1.365 135 H CB -0.040 29.811 29.762 0.148 0.000 1.421 135 H HN -0.043 8.237 8.280 -0.000 0.000 0.533 136 V N 1.006 120.950 119.914 0.049 0.000 2.255 136 V HA -0.283 3.838 4.120 0.001 0.000 0.247 136 V C 2.653 178.716 176.094 -0.052 0.000 1.051 136 V CA 2.325 64.595 62.300 -0.051 0.000 1.018 136 V CB -0.653 31.161 31.823 -0.015 0.000 0.641 136 V HN 0.386 8.576 8.190 -0.000 0.000 0.445 137 R N 0.300 120.803 120.500 0.005 0.000 2.096 137 R HA -0.238 4.102 4.340 0.001 0.000 0.240 137 R C 2.472 178.787 176.300 0.024 0.000 1.139 137 R CA 2.216 58.330 56.100 0.024 0.000 0.952 137 R CB -0.326 30.010 30.300 0.059 0.000 0.854 137 R HN 0.475 8.745 8.270 -0.000 0.000 0.436 138 K N -0.378 120.044 120.400 0.036 0.000 2.148 138 K HA -0.060 4.261 4.320 0.001 0.000 0.204 138 K C 1.851 178.449 176.600 -0.003 0.000 1.050 138 K CA 1.565 57.877 56.287 0.041 0.000 0.942 138 K CB 0.087 32.641 32.500 0.090 0.000 0.724 138 K HN 0.136 8.386 8.250 -0.000 0.000 0.446 139 S N 0.662 116.305 115.700 -0.095 0.000 2.387 139 S HA -0.058 4.412 4.470 0.001 0.000 0.226 139 S C 1.836 176.406 174.600 -0.050 0.000 1.026 139 S CA 0.885 59.019 58.200 -0.110 0.000 0.972 139 S CB -0.033 63.029 63.200 -0.230 0.000 0.814 139 S HN 0.269 8.579 8.310 -0.000 0.000 0.477 140 M N 1.429 121.013 119.600 -0.026 0.000 2.086 140 M HA -0.030 4.451 4.480 0.001 0.000 0.261 140 M C 2.083 178.433 176.300 0.085 0.000 1.067 140 M CA 1.320 56.655 55.300 0.057 0.000 1.116 140 M CB -1.318 31.320 32.600 0.062 0.000 1.348 140 M HN 0.222 8.512 8.290 -0.000 0.000 0.407 141 E N 0.104 120.331 120.200 0.044 0.000 2.038 141 E HA -0.143 4.207 4.350 0.001 0.000 0.195 141 E C 2.254 178.877 176.600 0.038 0.000 1.000 141 E CA 1.448 57.867 56.400 0.032 0.000 0.803 141 E CB -0.492 29.232 29.700 0.040 0.000 0.750 141 E HN 0.343 8.703 8.360 -0.000 0.000 0.448 142 V N 1.985 121.934 119.914 0.059 0.000 2.446 142 V HA -0.142 3.978 4.120 0.001 0.000 0.244 142 V C 1.700 177.837 176.094 0.071 0.000 1.039 142 V CA 1.508 63.882 62.300 0.123 0.000 1.045 142 V CB -0.445 31.466 31.823 0.147 0.000 0.681 142 V HN 0.141 8.331 8.190 -0.000 0.000 0.459 143 N N -0.723 117.936 118.700 -0.069 0.000 2.376 143 N HA 0.002 4.742 4.740 0.001 0.000 0.177 143 N C 1.326 176.493 175.510 -0.572 0.000 1.024 143 N CA 0.977 53.831 53.050 -0.327 0.000 0.893 143 N CB -0.012 38.321 38.487 -0.256 0.000 0.980 143 N HN 0.553 8.933 8.380 -0.000 0.000 0.439 144 F N 0.445 120.168 119.950 -0.378 0.000 2.534 144 F HA 0.341 4.869 4.527 0.001 0.000 0.274 144 F C 1.750 177.464 175.800 -0.143 0.000 0.917 144 F CA 0.002 57.810 58.000 -0.321 0.000 1.145 144 F CB -0.630 38.241 39.000 -0.214 0.000 1.145 144 F HN -0.215 8.085 8.300 -0.000 0.000 0.746 145 L N 0.945 121.841 121.223 -0.545 0.000 2.042 145 L HA -0.230 4.110 4.340 0.001 0.000 0.210 145 L C 2.733 179.441 176.870 -0.269 0.000 1.076 145 L CA 1.907 56.393 54.840 -0.590 0.000 0.749 145 L CB -0.878 41.012 42.059 -0.281 0.000 0.893 145 L HN 0.468 8.698 8.230 -0.000 0.000 0.432 146 S N -1.430 114.255 115.700 -0.025 0.000 2.442 146 S HA -0.208 4.263 4.470 0.001 0.000 0.236 146 S C 1.890 176.648 174.600 0.263 0.000 1.007 146 S CA 0.877 59.172 58.200 0.157 0.000 0.965 146 S CB -0.509 62.884 63.200 0.322 0.000 0.773 146 S HN 0.366 8.676 8.310 -0.000 0.000 0.504 147 Y N 1.414 121.699 120.300 -0.026 0.000 2.314 147 Y HA 0.211 4.762 4.550 0.001 0.000 0.294 147 Y C 2.683 178.664 175.900 0.136 0.000 1.119 147 Y CA -0.262 57.889 58.100 0.085 0.000 1.179 147 Y CB -0.772 37.753 38.460 0.108 0.000 1.025 147 Y HN 0.144 8.424 8.280 -0.000 0.000 0.541 148 V N -1.114 118.807 119.914 0.012 0.000 2.270 148 V HA -0.254 3.866 4.120 0.001 0.000 0.245 148 V C 2.327 178.394 176.094 -0.044 0.000 1.043 148 V CA 1.630 63.805 62.300 -0.208 0.000 1.014 148 V CB -1.082 30.300 31.823 -0.736 0.000 0.645 148 V HN 0.159 8.349 8.190 -0.000 0.000 0.447 149 V N -0.059 119.821 119.914 -0.056 0.000 2.324 149 V HA -0.302 3.818 4.120 0.001 0.000 0.250 149 V C 2.332 178.457 176.094 0.052 0.000 1.060 149 V CA 2.159 64.459 62.300 -0.001 0.000 1.042 149 V CB -0.648 31.177 31.823 0.002 0.000 0.650 149 V HN 0.440 8.630 8.190 -0.000 0.000 0.450 150 L N -0.440 120.842 121.223 0.099 0.000 2.056 150 L HA -0.157 4.184 4.340 0.001 0.000 0.207 150 L C 2.655 179.590 176.870 0.109 0.000 1.078 150 L CA 2.017 56.920 54.840 0.105 0.000 0.749 150 L CB -0.985 41.148 42.059 0.123 0.000 0.901 150 L HN 0.354 8.584 8.230 -0.000 0.000 0.433 151 T N -0.751 113.908 114.554 0.176 0.000 2.708 151 T HA -0.170 4.180 4.350 0.001 0.000 0.266 151 T C 2.014 176.804 174.700 0.150 0.000 1.037 151 T CA 1.363 63.595 62.100 0.219 0.000 1.146 151 T CB -0.352 68.749 68.868 0.388 0.000 0.865 151 T HN 0.033 8.273 8.240 -0.000 0.000 0.435 152 V N 1.901 121.885 119.914 0.117 0.000 2.252 152 V HA -0.231 3.889 4.120 0.001 0.000 0.249 152 V C 2.936 179.056 176.094 0.044 0.000 1.056 152 V CA 1.896 64.244 62.300 0.079 0.000 1.022 152 V CB -1.251 30.602 31.823 0.050 0.000 0.641 152 V HN 0.571 8.761 8.190 -0.000 0.000 0.445 153 A N -0.666 122.170 122.820 0.027 0.000 2.024 153 A HA -0.038 4.282 4.320 0.001 0.000 0.220 153 A C 2.133 179.707 177.584 -0.017 0.000 1.164 153 A CA 2.071 54.104 52.037 -0.007 0.000 0.643 153 A CB -0.461 18.523 19.000 -0.026 0.000 0.806 153 A HN 0.656 8.806 8.150 -0.000 0.000 0.451 154 A N -1.768 121.057 122.820 0.008 0.000 2.303 154 A HA 0.424 4.745 4.320 0.001 0.000 0.217 154 A C 1.701 179.290 177.584 0.009 0.000 1.205 154 A CA 0.489 52.523 52.037 -0.006 0.000 0.875 154 A CB -0.226 18.778 19.000 0.007 0.000 0.910 154 A HN 0.408 8.558 8.150 -0.000 0.000 0.501 155 L N 0.662 121.903 121.223 0.029 0.000 2.093 155 L HA 0.032 4.373 4.340 0.001 0.000 0.208 155 L C -0.944 175.914 176.870 -0.020 0.000 1.085 155 L CA 2.015 56.868 54.840 0.022 0.000 0.755 155 L CB -0.831 41.253 42.059 0.043 0.000 0.904 155 L HN 0.143 8.373 8.230 -0.000 0.000 0.435 156 P HA -0.162 4.258 4.420 -0.000 0.000 0.215 156 P C 1.947 179.223 177.300 -0.039 0.000 1.153 156 P CA 1.743 64.821 63.100 -0.036 0.000 0.853 156 P CB -0.067 31.612 31.700 -0.034 0.000 0.788 157 M N -1.767 117.809 119.600 -0.040 0.000 2.229 157 M HA -0.076 4.404 4.480 0.001 0.000 0.264 157 M C 2.013 178.293 176.300 -0.033 0.000 1.063 157 M CA 1.450 56.724 55.300 -0.043 0.000 1.114 157 M CB -0.742 31.825 32.600 -0.054 0.000 1.387 157 M HN -0.086 8.204 8.290 -0.000 0.000 0.420 158 L N -0.155 121.053 121.223 -0.023 0.000 2.141 158 L HA -0.182 4.158 4.340 0.001 0.000 0.209 158 L C 2.362 179.216 176.870 -0.027 0.000 1.094 158 L CA 1.201 56.033 54.840 -0.012 0.000 0.763 158 L CB -0.423 41.645 42.059 0.015 0.000 0.908 158 L HN 0.230 8.460 8.230 -0.000 0.000 0.437 159 K N -0.230 120.141 120.400 -0.048 0.000 2.002 159 K HA -0.255 4.065 4.320 0.001 0.000 0.209 159 K C 2.139 178.711 176.600 -0.046 0.000 1.048 159 K CA 1.491 57.738 56.287 -0.066 0.000 0.930 159 K CB -0.163 32.288 32.500 -0.083 0.000 0.714 159 K HN 0.161 8.411 8.250 -0.000 0.000 0.438 160 Q N 0.543 120.319 119.800 -0.040 0.000 2.248 160 Q HA -0.165 4.176 4.340 0.001 0.000 0.208 160 Q C 1.460 177.444 176.000 -0.027 0.000 0.984 160 Q CA 1.986 57.769 55.803 -0.034 0.000 0.875 160 Q CB 0.103 28.820 28.738 -0.036 0.000 0.910 160 Q HN 0.340 8.610 8.270 -0.000 0.000 0.433 161 S N -2.150 113.536 115.700 -0.023 0.000 2.539 161 S HA 0.163 4.633 4.470 0.001 0.000 0.221 161 S C 0.046 174.642 174.600 -0.006 0.000 0.987 161 S CA 0.141 58.332 58.200 -0.014 0.000 0.929 161 S CB -0.010 63.183 63.200 -0.012 0.000 0.832 161 S HN 0.565 8.875 8.310 -0.000 0.000 0.492 162 N N 1.548 120.242 118.700 -0.011 0.000 2.725 162 N HA -0.124 4.617 4.740 0.001 0.000 0.251 162 N C 0.463 175.982 175.510 0.013 0.000 1.031 162 N CA 0.362 53.410 53.050 -0.002 0.000 0.720 162 N CB -1.348 37.140 38.487 0.002 0.000 0.930 162 N HN 0.676 9.056 8.380 -0.000 0.000 0.543 163 G N -1.072 107.737 108.800 0.015 0.000 2.666 163 G HA2 0.670 4.631 3.960 0.001 0.000 0.207 163 G HA3 0.670 4.631 3.960 0.001 0.000 0.207 163 G C -0.368 174.559 174.900 0.046 0.000 1.481 163 G CA -0.108 45.010 45.100 0.029 0.000 1.071 163 G HN 0.207 8.497 8.290 -0.000 0.000 0.572 164 S N -1.041 114.689 115.700 0.050 0.000 2.548 164 S HA 0.498 4.968 4.470 0.001 0.000 0.276 164 S C -0.953 173.680 174.600 0.055 0.000 1.129 164 S CA -0.313 57.922 58.200 0.058 0.000 0.931 164 S CB 1.757 64.982 63.200 0.042 0.000 1.068 164 S HN 0.441 8.751 8.310 -0.000 0.000 0.480 165 I N 2.363 122.976 120.570 0.073 0.000 2.354 165 I HA 0.469 4.639 4.170 0.001 0.000 0.292 165 I C -0.869 175.234 176.117 -0.023 0.000 0.989 165 I CA -0.758 60.570 61.300 0.045 0.000 1.188 165 I CB 1.570 39.647 38.000 0.128 0.000 1.342 165 I HN 0.289 8.499 8.210 -0.000 0.000 0.457 166 V N 7.282 127.151 119.914 -0.076 0.000 2.409 166 V HA 0.377 4.498 4.120 0.001 0.000 0.291 166 V C -0.185 175.797 176.094 -0.185 0.000 1.020 166 V CA -0.701 61.533 62.300 -0.111 0.000 0.848 166 V CB 1.840 33.613 31.823 -0.083 0.000 0.990 166 V HN 0.366 8.556 8.190 -0.000 0.000 0.430 167 V N 5.805 125.592 119.914 -0.211 0.000 2.357 167 V HA 0.375 4.495 4.120 0.001 0.000 0.284 167 V C -0.020 176.012 176.094 -0.103 0.000 1.018 167 V CA -0.613 61.551 62.300 -0.227 0.000 0.841 167 V CB 1.823 33.422 31.823 -0.372 0.000 0.991 167 V HN 0.623 8.813 8.190 -0.000 0.000 0.437 168 V N 4.588 124.483 119.914 -0.030 0.000 2.432 168 V HA 0.498 4.619 4.120 0.001 0.000 0.271 168 V C 0.467 176.556 176.094 -0.009 0.000 1.046 168 V CA 0.474 62.761 62.300 -0.020 0.000 0.945 168 V CB 1.263 33.087 31.823 0.001 0.000 0.992 168 V HN 0.938 9.128 8.190 -0.000 0.000 0.471 169 S N 3.020 118.697 115.700 -0.038 0.000 2.921 169 S HA 0.837 5.307 4.470 0.001 0.000 0.315 169 S C -0.451 174.141 174.600 -0.014 0.000 1.087 169 S CA -0.100 58.067 58.200 -0.055 0.000 0.877 169 S CB 2.014 65.162 63.200 -0.087 0.000 1.340 169 S HN 0.886 9.196 8.310 -0.000 0.000 0.622 170 S N -0.388 115.304 115.700 -0.014 0.000 2.556 170 S HA 0.454 4.925 4.470 0.001 0.000 0.271 170 S C 0.636 175.267 174.600 0.050 0.000 1.135 170 S CA -0.663 57.563 58.200 0.044 0.000 0.858 170 S CB 0.718 63.985 63.200 0.111 0.000 1.114 170 S HN 0.617 8.927 8.310 -0.000 0.000 0.468 171 L N 2.317 123.595 121.223 0.091 0.000 2.137 171 L HA -0.122 4.218 4.340 0.001 0.000 0.213 171 L C 2.603 179.618 176.870 0.241 0.000 1.085 171 L CA 1.869 56.810 54.840 0.170 0.000 0.760 171 L CB -0.571 41.633 42.059 0.241 0.000 0.893 171 L HN 0.849 9.079 8.230 -0.000 0.000 0.434 172 A N -0.442 122.467 122.820 0.147 0.000 2.235 172 A HA 0.138 4.459 4.320 0.001 0.000 0.208 172 A C 1.844 179.617 177.584 0.315 0.000 1.172 172 A CA 0.929 53.129 52.037 0.272 0.000 0.786 172 A CB -0.519 18.528 19.000 0.078 0.000 0.804 172 A HN 0.413 8.563 8.150 -0.000 0.000 0.479 173 G N -1.497 107.348 108.800 0.074 0.000 3.502 173 G HA2 0.303 4.263 3.960 0.001 0.000 0.267 173 G HA3 0.303 4.263 3.960 0.001 0.000 0.267 173 G C 0.896 175.374 174.900 -0.703 0.000 1.090 173 G CA -0.081 44.916 45.100 -0.172 0.000 0.795 173 G HN 0.218 8.508 8.290 -0.000 0.000 0.535 174 K N -0.306 119.847 120.400 -0.413 0.000 2.574 174 K HA 0.222 4.542 4.320 0.001 0.000 0.215 174 K C 0.195 176.748 176.600 -0.079 0.000 1.485 174 K CA 0.353 56.413 56.287 -0.377 0.000 1.006 174 K CB 1.617 34.062 32.500 -0.091 0.000 1.254 174 K HN 0.352 8.602 8.250 -0.000 0.000 0.580 175 V N -2.208 117.832 119.914 0.210 0.000 3.159 175 V HA 0.842 4.962 4.120 0.001 0.000 0.308 175 V C -0.832 175.514 176.094 0.419 0.000 1.190 175 V CA -1.288 61.193 62.300 0.301 0.000 1.037 175 V CB 1.727 33.630 31.823 0.133 0.000 1.060 175 V HN 0.035 8.225 8.190 -0.000 0.000 0.437 176 A N 1.777 124.733 122.820 0.227 0.000 2.351 176 A HA 0.844 5.164 4.320 0.001 0.000 0.257 176 A C -1.067 176.592 177.584 0.124 0.000 1.087 176 A CA -0.125 52.020 52.037 0.179 0.000 0.798 176 A CB 0.212 19.238 19.000 0.043 0.000 1.033 176 A HN 1.167 9.317 8.150 -0.000 0.000 0.488 177 Y N 0.277 120.628 120.300 0.084 0.000 2.544 177 Y HA 0.464 5.015 4.550 0.001 0.000 0.342 177 Y C -2.028 173.904 175.900 0.053 0.000 1.062 177 Y CA -1.545 56.597 58.100 0.069 0.000 1.023 177 Y CB 1.822 40.334 38.460 0.086 0.000 1.308 177 Y HN 0.613 8.893 8.280 -0.000 0.000 0.457 178 P HA 0.136 4.556 4.420 -0.000 0.000 0.272 178 P C 0.063 177.449 177.300 0.143 0.000 1.230 178 P CA 0.018 63.201 63.100 0.139 0.000 0.788 178 P CB 0.919 32.679 31.700 0.100 0.000 0.949 179 M N -1.887 117.783 119.600 0.117 0.000 2.979 179 M HA -0.156 4.325 4.480 0.001 0.000 0.202 179 M C 0.397 176.749 176.300 0.086 0.000 0.602 179 M CA 1.240 56.595 55.300 0.093 0.000 0.774 179 M CB -2.831 29.807 32.600 0.063 0.000 2.769 179 M HN 0.380 8.670 8.290 -0.000 0.000 0.294 180 V N -2.605 117.374 119.914 0.108 0.000 2.771 180 V HA 0.800 4.920 4.120 0.001 0.000 0.355 180 V C 1.461 177.660 176.094 0.175 0.000 1.289 180 V CA 0.286 62.657 62.300 0.118 0.000 1.231 180 V CB -0.069 31.785 31.823 0.051 0.000 1.396 180 V HN 0.332 8.522 8.190 -0.000 0.000 0.628 181 A N 1.745 124.641 122.820 0.128 0.000 1.845 181 A HA 0.117 4.437 4.320 0.001 0.000 0.215 181 A C 2.459 180.035 177.584 -0.013 0.000 1.195 181 A CA 2.403 54.450 52.037 0.015 0.000 0.616 181 A CB -0.879 18.062 19.000 -0.098 0.000 0.832 181 A HN 1.253 9.403 8.150 -0.000 0.000 0.443 182 A N -1.212 121.624 122.820 0.027 0.000 1.884 182 A HA -0.253 4.067 4.320 0.001 0.000 0.219 182 A C 2.217 179.807 177.584 0.008 0.000 1.197 182 A CA 2.081 54.103 52.037 -0.025 0.000 0.637 182 A CB -1.164 17.825 19.000 -0.018 0.000 0.827 182 A HN 0.923 9.073 8.150 -0.000 0.000 0.450 183 Y N 0.577 120.858 120.300 -0.031 0.000 2.224 183 Y HA -0.174 4.376 4.550 0.000 0.000 0.289 183 Y C 2.886 178.780 175.900 -0.009 0.000 1.146 183 Y CA 2.050 60.137 58.100 -0.022 0.000 1.182 183 Y CB -0.345 38.131 38.460 0.028 0.000 0.983 183 Y HN 0.336 8.616 8.280 -0.000 0.000 0.524 184 S N 0.105 115.897 115.700 0.153 0.000 2.371 184 S HA -0.148 4.322 4.470 0.001 0.000 0.224 184 S C 2.287 176.897 174.600 0.017 0.000 1.029 184 S CA 1.103 59.372 58.200 0.114 0.000 0.978 184 S CB -0.873 62.439 63.200 0.185 0.000 0.833 184 S HN 0.649 8.959 8.310 -0.000 0.000 0.466 185 A N 1.472 124.236 122.820 -0.094 0.000 1.892 185 A HA -0.138 4.182 4.320 0.001 0.000 0.218 185 A C 2.522 180.023 177.584 -0.138 0.000 1.188 185 A CA 2.615 54.557 52.037 -0.159 0.000 0.631 185 A CB -1.483 17.406 19.000 -0.185 0.000 0.822 185 A HN 0.880 9.030 8.150 -0.000 0.000 0.447 186 S N -0.967 114.635 115.700 -0.162 0.000 2.428 186 S HA -0.102 4.368 4.470 0.001 0.000 0.230 186 S C 1.862 176.330 174.600 -0.222 0.000 1.014 186 S CA 1.291 59.372 58.200 -0.199 0.000 0.957 186 S CB -0.176 62.916 63.200 -0.180 0.000 0.784 186 S HN 0.481 8.791 8.310 -0.000 0.000 0.499 187 K N 0.526 120.797 120.400 -0.215 0.000 2.076 187 K HA 0.157 4.477 4.320 0.001 0.000 0.204 187 K C 1.719 178.286 176.600 -0.054 0.000 1.051 187 K CA 0.789 56.962 56.287 -0.190 0.000 0.949 187 K CB -0.770 31.562 32.500 -0.280 0.000 0.726 187 K HN 0.493 8.743 8.250 -0.000 0.000 0.443 188 F N 1.809 121.658 119.950 -0.168 0.000 2.091 188 F HA -0.291 4.236 4.527 0.001 0.000 0.299 188 F C 2.526 178.227 175.800 -0.165 0.000 1.103 188 F CA 1.353 59.279 58.000 -0.124 0.000 1.228 188 F CB -0.368 38.566 39.000 -0.110 0.000 0.984 188 F HN 0.057 8.357 8.300 -0.000 0.000 0.477 189 A N 0.205 122.968 122.820 -0.095 0.000 1.908 189 A HA -0.198 4.123 4.320 0.001 0.000 0.218 189 A C 2.167 179.594 177.584 -0.262 0.000 1.181 189 A CA 1.570 53.375 52.037 -0.387 0.000 0.627 189 A CB -1.157 17.283 19.000 -0.934 0.000 0.818 189 A HN 0.420 8.570 8.150 -0.000 0.000 0.445 190 L N -0.554 120.612 121.223 -0.095 0.000 2.129 190 L HA -0.234 4.107 4.340 0.001 0.000 0.212 190 L C 2.422 179.447 176.870 0.259 0.000 1.087 190 L CA 1.663 56.649 54.840 0.243 0.000 0.757 190 L CB -0.514 41.620 42.059 0.125 0.000 0.896 190 L HN 0.440 8.670 8.230 -0.000 0.000 0.434 191 D N -0.078 120.363 120.400 0.067 0.000 2.084 191 D HA -0.122 4.518 4.640 0.001 0.000 0.196 191 D C 2.081 178.422 176.300 0.068 0.000 0.985 191 D CA 1.469 55.489 54.000 0.034 0.000 0.826 191 D CB -0.226 40.515 40.800 -0.097 0.000 0.978 191 D HN 0.182 8.552 8.370 -0.000 0.000 0.456 192 G N -0.023 108.803 108.800 0.043 0.000 2.553 192 G HA2 -0.320 3.640 3.960 0.001 0.000 0.218 192 G HA3 -0.320 3.640 3.960 0.001 0.000 0.218 192 G C 1.693 176.633 174.900 0.068 0.000 1.195 192 G CA 0.992 46.113 45.100 0.034 0.000 0.779 192 G HN 0.373 8.663 8.290 -0.000 0.000 0.577 193 F N 0.526 120.477 119.950 0.002 0.000 2.000 193 F HA 0.016 4.544 4.527 0.000 0.000 0.295 193 F C 2.560 178.293 175.800 -0.110 0.000 1.159 193 F CA 1.843 59.827 58.000 -0.026 0.000 1.171 193 F CB -0.403 38.662 39.000 0.109 0.000 0.971 193 F HN 0.109 8.409 8.300 -0.000 0.000 0.479 194 F N 0.447 120.518 119.950 0.201 0.000 2.236 194 F HA -0.249 4.279 4.527 0.001 0.000 0.302 194 F C 2.604 178.322 175.800 -0.136 0.000 1.073 194 F CA 1.628 59.632 58.000 0.007 0.000 1.336 194 F CB -0.976 38.114 39.000 0.151 0.000 1.040 194 F HN -0.039 8.261 8.300 -0.000 0.000 0.507 195 S N -1.286 114.434 115.700 0.034 0.000 2.436 195 S HA -0.102 4.368 4.470 0.001 0.000 0.228 195 S C 2.209 176.734 174.600 -0.125 0.000 1.014 195 S CA 0.991 59.174 58.200 -0.029 0.000 0.950 195 S CB -0.185 63.011 63.200 -0.007 0.000 0.784 195 S HN 0.256 8.566 8.310 -0.000 0.000 0.504 196 S N 2.287 117.866 115.700 -0.201 0.000 2.345 196 S HA 0.029 4.500 4.470 0.001 0.000 0.219 196 S C 1.942 176.328 174.600 -0.357 0.000 1.031 196 S CA 1.138 59.185 58.200 -0.254 0.000 0.984 196 S CB -0.411 62.629 63.200 -0.266 0.000 0.874 196 S HN 0.720 9.030 8.310 -0.000 0.000 0.451 197 I N 0.573 120.796 120.570 -0.579 0.000 2.756 197 I HA -0.045 4.125 4.170 0.001 0.000 0.262 197 I C 2.236 177.950 176.117 -0.671 0.000 1.225 197 I CA 1.266 62.165 61.300 -0.667 0.000 1.472 197 I CB -0.354 37.099 38.000 -0.912 0.000 1.094 197 I HN 0.170 8.380 8.210 -0.000 0.000 0.454 198 R N 1.962 122.197 120.500 -0.441 0.000 2.075 198 R HA -0.142 4.199 4.340 0.001 0.000 0.232 198 R C 2.181 178.405 176.300 -0.127 0.000 1.126 198 R CA 1.399 57.335 56.100 -0.272 0.000 0.963 198 R CB -0.108 30.130 30.300 -0.104 0.000 0.858 198 R HN 0.356 8.626 8.270 -0.000 0.000 0.435 199 K N 0.381 120.708 120.400 -0.121 0.000 2.097 199 K HA -0.143 4.177 4.320 0.001 0.000 0.206 199 K C 1.968 178.548 176.600 -0.033 0.000 1.049 199 K CA 1.891 58.142 56.287 -0.060 0.000 0.933 199 K CB 0.046 32.509 32.500 -0.062 0.000 0.717 199 K HN 0.356 8.606 8.250 -0.000 0.000 0.442 200 E N -0.452 119.705 120.200 -0.071 0.000 2.072 200 E HA -0.172 4.179 4.350 0.001 0.000 0.191 200 E C 1.747 178.453 176.600 0.175 0.000 0.985 200 E CA 0.925 57.335 56.400 0.016 0.000 0.801 200 E CB -0.070 29.609 29.700 -0.035 0.000 0.750 200 E HN 0.300 8.660 8.360 -0.000 0.000 0.452 201 Y N 0.948 121.228 120.300 -0.032 0.000 2.274 201 Y HA -0.131 4.420 4.550 0.001 0.000 0.290 201 Y C 2.657 178.554 175.900 -0.005 0.000 1.145 201 Y CA 0.461 58.553 58.100 -0.013 0.000 1.203 201 Y CB -0.792 37.667 38.460 -0.003 0.000 0.984 201 Y HN -0.010 8.270 8.280 -0.000 0.000 0.533 202 S N -0.328 115.469 115.700 0.160 0.000 2.345 202 S HA -0.136 4.335 4.470 0.001 0.000 0.220 202 S C 2.328 176.962 174.600 0.058 0.000 1.031 202 S CA 1.531 59.781 58.200 0.084 0.000 0.996 202 S CB -0.757 62.471 63.200 0.047 0.000 0.882 202 S HN 0.342 8.652 8.310 -0.000 0.000 0.445 203 V N 0.313 120.260 119.914 0.055 0.000 2.667 203 V HA 0.070 4.190 4.120 0.001 0.000 0.252 203 V C 1.534 177.657 176.094 0.049 0.000 1.065 203 V CA 2.130 64.457 62.300 0.045 0.000 1.083 203 V CB -0.624 31.229 31.823 0.049 0.000 0.692 203 V HN 0.415 8.605 8.190 -0.000 0.000 0.468 204 S N 0.076 115.815 115.700 0.065 0.000 2.631 204 S HA 0.283 4.753 4.470 0.001 0.000 0.217 204 S C 0.796 175.405 174.600 0.014 0.000 0.958 204 S CA 0.070 58.294 58.200 0.041 0.000 0.920 204 S CB -0.446 62.781 63.200 0.046 0.000 0.776 204 S HN 0.742 9.052 8.310 -0.000 0.000 0.517 205 R N 0.613 121.127 120.500 0.023 0.000 3.387 205 R HA -0.137 4.203 4.340 0.001 0.000 0.254 205 R C -0.819 175.466 176.300 -0.024 0.000 1.006 205 R CA 0.070 56.174 56.100 0.008 0.000 0.677 205 R CB -2.183 28.118 30.300 0.001 0.000 1.063 205 R HN 0.183 8.453 8.270 -0.000 0.000 0.453 206 V N 1.352 121.235 119.914 -0.052 0.000 2.470 206 V HA -0.007 4.113 4.120 0.001 0.000 0.276 206 V C 1.400 177.435 176.094 -0.098 0.000 1.040 206 V CA 0.094 62.294 62.300 -0.168 0.000 1.008 206 V CB 1.304 32.837 31.823 -0.484 0.000 0.990 206 V HN 0.359 8.549 8.190 -0.000 0.000 0.477 207 N N 4.523 123.178 118.700 -0.076 0.000 3.259 207 N HA 0.196 4.937 4.740 0.001 0.000 0.308 207 N C -0.883 174.623 175.510 -0.006 0.000 1.334 207 N CA -0.206 52.832 53.050 -0.020 0.000 1.202 207 N CB 0.350 38.830 38.487 -0.011 0.000 1.485 207 N HN 0.468 8.848 8.380 -0.000 0.000 0.549 208 V N 1.648 121.570 119.914 0.013 0.000 2.483 208 V HA 0.199 4.319 4.120 0.001 0.000 0.297 208 V C 0.143 176.346 176.094 0.182 0.000 1.027 208 V CA -0.894 61.451 62.300 0.075 0.000 0.855 208 V CB 1.514 33.360 31.823 0.039 0.000 0.995 208 V HN 0.408 8.598 8.190 -0.000 0.000 0.424 209 S N 6.043 121.820 115.700 0.129 0.000 2.565 209 S HA 0.690 5.161 4.470 0.001 0.000 0.276 209 S C -0.527 174.151 174.600 0.130 0.000 1.326 209 S CA -0.439 57.832 58.200 0.118 0.000 1.045 209 S CB 0.784 64.029 63.200 0.075 0.000 0.918 209 S HN 0.524 8.834 8.310 -0.000 0.000 0.505 210 I N 2.289 122.924 120.570 0.109 0.000 2.418 210 I HA 0.294 4.464 4.170 0.001 0.000 0.287 210 I C -0.445 175.692 176.117 0.034 0.000 1.008 210 I CA -0.442 60.912 61.300 0.090 0.000 1.104 210 I CB 2.191 40.260 38.000 0.115 0.000 1.264 210 I HN 0.623 8.833 8.210 -0.000 0.000 0.438 211 T N 7.038 121.587 114.554 -0.008 0.000 2.791 211 T HA 0.420 4.770 4.350 0.001 0.000 0.288 211 T C -0.573 174.075 174.700 -0.087 0.000 0.999 211 T CA -0.352 61.720 62.100 -0.046 0.000 0.952 211 T CB 1.330 70.167 68.868 -0.053 0.000 0.938 211 T HN 0.235 8.475 8.240 -0.000 0.000 0.444 212 L N 4.655 125.820 121.223 -0.097 0.000 2.265 212 L HA 0.507 4.848 4.340 0.001 0.000 0.289 212 L C -0.633 176.132 176.870 -0.175 0.000 1.033 212 L CA -0.423 54.346 54.840 -0.119 0.000 0.814 212 L CB 0.020 42.028 42.059 -0.086 0.000 1.203 212 L HN 0.727 8.957 8.230 -0.000 0.000 0.423 213 C N 5.046 124.256 119.300 -0.150 0.000 2.265 213 C HA 0.477 4.938 4.460 0.001 0.000 0.332 213 C C 0.292 175.205 174.990 -0.127 0.000 1.248 213 C CA -1.163 57.761 59.018 -0.157 0.000 1.727 213 C CB 0.011 27.685 27.740 -0.109 0.000 2.348 213 C HN 0.536 8.766 8.230 -0.000 0.000 0.519 214 V N 6.097 125.908 119.914 -0.172 0.000 2.334 214 V HA 0.311 4.431 4.120 0.001 0.000 0.267 214 V C 0.117 176.240 176.094 0.049 0.000 1.040 214 V CA 0.060 62.325 62.300 -0.058 0.000 0.866 214 V CB 0.377 32.187 31.823 -0.022 0.000 1.019 214 V HN 0.695 8.885 8.190 -0.000 0.000 0.468 215 L N 4.538 125.802 121.223 0.068 0.000 2.307 215 L HA 0.676 5.017 4.340 0.001 0.000 0.284 215 L C 1.032 177.962 176.870 0.099 0.000 1.023 215 L CA -0.331 54.578 54.840 0.116 0.000 0.810 215 L CB 1.657 43.781 42.059 0.109 0.000 1.231 215 L HN 0.696 8.926 8.230 -0.000 0.000 0.423 216 G N 1.868 110.725 108.800 0.095 0.000 2.553 216 G HA2 0.307 4.268 3.960 0.001 0.000 0.278 216 G HA3 0.307 4.268 3.960 0.001 0.000 0.278 216 G C -0.468 174.457 174.900 0.043 0.000 1.349 216 G CA -0.695 44.439 45.100 0.057 0.000 1.037 216 G HN 0.466 8.756 8.290 -0.000 0.000 0.508 217 L N 0.167 121.400 121.223 0.017 0.000 2.559 217 L HA 0.211 4.551 4.340 0.001 0.000 0.274 217 L C -0.307 176.586 176.870 0.039 0.000 1.205 217 L CA 0.222 55.068 54.840 0.011 0.000 0.907 217 L CB -0.034 42.025 42.059 -0.001 0.000 1.153 217 L HN 0.155 8.385 8.230 -0.000 0.000 0.490 218 I N 4.466 125.067 120.570 0.051 0.000 2.509 218 I HA 0.214 4.384 4.170 0.001 0.000 0.293 218 I C -0.009 176.141 176.117 0.055 0.000 1.020 218 I CA -0.675 60.673 61.300 0.080 0.000 1.088 218 I CB 1.538 39.597 38.000 0.100 0.000 1.267 218 I HN 0.642 8.852 8.210 -0.000 0.000 0.430 219 D N 2.552 122.989 120.400 0.061 0.000 2.826 219 D HA -0.033 4.607 4.640 0.001 0.000 0.247 219 D C 0.696 177.018 176.300 0.037 0.000 1.238 219 D CA -0.288 53.738 54.000 0.043 0.000 0.894 219 D CB -0.624 40.203 40.800 0.045 0.000 1.100 219 D HN 0.576 8.946 8.370 -0.000 0.000 0.453 220 T N -2.705 111.869 114.554 0.033 0.000 2.860 220 T HA 0.017 4.367 4.350 0.001 0.000 0.299 220 T C 1.494 176.203 174.700 0.015 0.000 1.045 220 T CA -0.673 61.442 62.100 0.025 0.000 1.071 220 T CB 1.289 70.171 68.868 0.023 0.000 0.985 220 T HN 0.170 8.410 8.240 -0.000 0.000 0.537 221 E N 1.822 122.029 120.200 0.011 0.000 2.086 221 E HA -0.229 4.121 4.350 0.001 0.000 0.205 221 E C 1.882 178.484 176.600 0.002 0.000 1.027 221 E CA 2.123 58.527 56.400 0.006 0.000 0.830 221 E CB -1.779 27.923 29.700 0.003 0.000 0.751 221 E HN 0.789 9.149 8.360 -0.000 0.000 0.456 222 T N 1.249 115.804 114.554 0.002 0.000 2.857 222 T HA 0.114 4.464 4.350 0.001 0.000 0.266 222 T C 2.042 176.735 174.700 -0.011 0.000 1.048 222 T CA 1.395 63.493 62.100 -0.003 0.000 1.139 222 T CB -0.223 68.646 68.868 0.001 0.000 0.874 222 T HN 0.426 8.666 8.240 -0.000 0.000 0.455 223 A N 1.975 124.790 122.820 -0.010 0.000 1.873 223 A HA -0.015 4.305 4.320 0.001 0.000 0.215 223 A C 2.290 179.865 177.584 -0.014 0.000 1.186 223 A CA 1.215 53.240 52.037 -0.020 0.000 0.616 223 A CB -0.529 18.463 19.000 -0.013 0.000 0.823 223 A HN 0.263 8.413 8.150 -0.000 0.000 0.442 224 M N -0.255 119.343 119.600 -0.003 0.000 2.117 224 M HA -0.116 4.365 4.480 0.001 0.000 0.262 224 M C 2.052 178.351 176.300 -0.002 0.000 1.065 224 M CA 2.047 57.348 55.300 0.001 0.000 1.114 224 M CB -1.201 31.404 32.600 0.008 0.000 1.361 224 M HN 0.554 8.844 8.290 -0.000 0.000 0.408 225 K N 0.728 121.125 120.400 -0.005 0.000 2.103 225 K HA -0.095 4.226 4.320 0.001 0.000 0.207 225 K C 1.779 178.373 176.600 -0.011 0.000 1.048 225 K CA 1.819 58.102 56.287 -0.007 0.000 0.930 225 K CB -0.190 32.306 32.500 -0.008 0.000 0.716 225 K HN 0.234 8.484 8.250 -0.000 0.000 0.444 226 A N 0.235 123.045 122.820 -0.016 0.000 2.072 226 A HA 0.066 4.387 4.320 0.001 0.000 0.216 226 A C 1.203 178.777 177.584 -0.017 0.000 1.156 226 A CA 0.869 52.893 52.037 -0.022 0.000 0.701 226 A CB -0.005 18.973 19.000 -0.037 0.000 0.816 226 A HN 0.261 8.411 8.150 -0.000 0.000 0.458 227 V N -3.255 116.652 119.914 -0.012 0.000 2.852 227 V HA 0.353 4.473 4.120 0.001 0.000 0.359 227 V C 0.879 176.976 176.094 0.004 0.000 1.244 227 V CA 0.311 62.608 62.300 -0.004 0.000 1.371 227 V CB -0.526 31.294 31.823 -0.003 0.000 1.491 227 V HN 0.159 8.349 8.190 -0.000 0.000 0.603 228 S N 1.530 117.232 115.700 0.002 0.000 2.357 228 S HA 0.156 4.627 4.470 0.001 0.000 0.221 228 S C 1.635 176.240 174.600 0.007 0.000 1.031 228 S CA 1.111 59.314 58.200 0.004 0.000 0.982 228 S CB -0.206 62.994 63.200 0.000 0.000 0.853 228 S HN 0.971 9.281 8.310 -0.000 0.000 0.458 233 M N 2.012 121.640 119.600 0.046 0.000 2.188 233 M HA 0.168 4.648 4.480 0.001 0.000 0.354 233 M C 0.193 176.495 176.300 0.002 0.000 1.342 233 M CA 0.278 55.568 55.300 -0.016 0.000 1.117 233 M CB 1.084 33.686 32.600 0.004 0.000 1.670 233 M HN 0.191 8.481 8.290 -0.000 0.000 0.466 234 Q N 2.726 122.515 119.800 -0.018 0.000 2.361 234 Q HA 0.501 4.841 4.340 0.001 0.000 0.250 234 Q C -0.827 175.173 176.000 -0.001 0.000 1.023 234 Q CA -0.461 55.340 55.803 -0.004 0.000 0.915 234 Q CB 0.933 29.660 28.738 -0.020 0.000 1.238 234 Q HN 0.808 9.078 8.270 -0.000 0.000 0.451 235 A N 3.087 125.914 122.820 0.012 0.000 2.322 235 A HA 0.722 5.042 4.320 0.001 0.000 0.269 235 A C -0.440 177.161 177.584 0.027 0.000 1.094 235 A CA -0.034 52.014 52.037 0.019 0.000 0.807 235 A CB 0.845 19.861 19.000 0.026 0.000 1.047 235 A HN 0.850 9.000 8.150 -0.000 0.000 0.487 236 A N 2.068 124.913 122.820 0.042 0.000 2.281 236 A HA 0.794 5.114 4.320 0.001 0.000 0.329 236 A C -2.787 174.886 177.584 0.148 0.000 1.122 236 A CA -1.929 50.152 52.037 0.073 0.000 0.850 236 A CB 0.383 19.388 19.000 0.008 0.000 1.207 236 A HN 0.555 8.705 8.150 -0.000 0.000 0.495 237 P HA 0.149 4.569 4.420 -0.000 0.000 0.282 237 P C 0.476 177.868 177.300 0.153 0.000 1.274 237 P CA -0.382 62.809 63.100 0.152 0.000 0.770 237 P CB 0.863 32.645 31.700 0.137 0.000 0.867 238 K N 3.857 124.323 120.400 0.109 0.000 2.242 238 K HA -0.260 4.061 4.320 0.001 0.000 0.206 238 K C 1.230 177.882 176.600 0.086 0.000 1.045 238 K CA 1.658 57.998 56.287 0.087 0.000 0.930 238 K CB -0.220 32.319 32.500 0.065 0.000 0.726 238 K HN 0.402 8.652 8.250 -0.000 0.000 0.462 239 E N 0.948 121.214 120.200 0.110 0.000 2.140 239 E HA -0.125 4.226 4.350 0.001 0.000 0.191 239 E C 1.982 178.688 176.600 0.177 0.000 0.973 239 E CA 0.418 56.928 56.400 0.183 0.000 0.829 239 E CB 0.196 29.990 29.700 0.156 0.000 0.781 239 E HN 0.522 8.882 8.360 -0.000 0.000 0.466 240 E N 0.147 120.381 120.200 0.057 0.000 2.107 240 E HA -0.153 4.198 4.350 0.001 0.000 0.191 240 E C 2.202 178.584 176.600 -0.364 0.000 0.982 240 E CA 0.899 57.254 56.400 -0.074 0.000 0.809 240 E CB -0.129 29.586 29.700 0.025 0.000 0.756 240 E HN 0.272 8.632 8.360 -0.000 0.000 0.459 241 C N 0.576 119.634 119.300 -0.403 0.000 2.413 241 C HA -0.076 4.384 4.460 0.001 0.000 0.277 241 C C 2.910 177.663 174.990 -0.395 0.000 1.228 241 C CA 1.583 60.186 59.018 -0.693 0.000 1.731 241 C CB -1.201 26.424 27.740 -0.191 0.000 2.042 241 C HN 0.588 8.818 8.230 -0.000 0.000 0.468 242 A N -0.105 122.610 122.820 -0.174 0.000 1.986 242 A HA -0.145 4.175 4.320 0.001 0.000 0.220 242 A C 2.103 179.520 177.584 -0.277 0.000 1.171 242 A CA 2.026 54.000 52.037 -0.105 0.000 0.640 242 A CB -0.766 18.293 19.000 0.099 0.000 0.811 242 A HN 0.742 8.892 8.150 -0.000 0.000 0.451 243 L N -0.676 120.265 121.223 -0.470 0.000 2.179 243 L HA -0.032 4.308 4.340 0.001 0.000 0.208 243 L C 2.135 178.721 176.870 -0.474 0.000 1.096 243 L CA 1.760 56.195 54.840 -0.675 0.000 0.779 243 L CB -0.377 41.263 42.059 -0.697 0.000 0.922 243 L HN 0.312 8.542 8.230 -0.000 0.000 0.443 244 E N 0.033 119.974 120.200 -0.432 0.000 2.106 244 E HA -0.199 4.152 4.350 0.001 0.000 0.192 244 E C 2.313 178.737 176.600 -0.294 0.000 0.984 244 E CA 1.587 57.770 56.400 -0.362 0.000 0.806 244 E CB -0.261 29.206 29.700 -0.389 0.000 0.750 244 E HN 0.580 8.940 8.360 -0.000 0.000 0.458 245 I N 1.039 121.449 120.570 -0.266 0.000 2.127 245 I HA -0.295 3.875 4.170 0.001 0.000 0.241 245 I C 2.474 178.475 176.117 -0.192 0.000 1.075 245 I CA 1.160 62.344 61.300 -0.192 0.000 1.334 245 I CB -0.241 37.668 38.000 -0.151 0.000 1.040 245 I HN 0.038 8.248 8.210 -0.000 0.000 0.405 246 I N 0.294 120.729 120.570 -0.226 0.000 2.454 246 I HA -0.291 3.880 4.170 0.001 0.000 0.254 246 I C 2.528 178.459 176.117 -0.311 0.000 1.156 246 I CA 1.247 62.422 61.300 -0.208 0.000 1.433 246 I CB -0.249 37.635 38.000 -0.193 0.000 1.082 246 I HN 0.199 8.409 8.210 -0.000 0.000 0.432 247 K N 0.745 120.861 120.400 -0.474 0.000 2.076 247 K HA -0.080 4.241 4.320 0.001 0.000 0.204 247 K C 2.121 178.556 176.600 -0.275 0.000 1.051 247 K CA 1.286 57.187 56.287 -0.644 0.000 0.949 247 K CB -0.254 31.848 32.500 -0.664 0.000 0.726 247 K HN 0.329 8.579 8.250 -0.000 0.000 0.443 248 G N -0.061 108.621 108.800 -0.196 0.000 2.408 248 G HA2 -0.173 3.788 3.960 0.001 0.000 0.217 248 G HA3 -0.173 3.788 3.960 0.001 0.000 0.217 248 G C 1.450 176.308 174.900 -0.069 0.000 1.150 248 G CA 0.823 45.858 45.100 -0.107 0.000 0.776 248 G HN 0.464 8.754 8.290 -0.000 0.000 0.542 249 G N 1.240 109.991 108.800 -0.081 0.000 2.453 249 G HA2 0.034 3.994 3.960 0.001 0.000 0.215 249 G HA3 0.034 3.994 3.960 0.001 0.000 0.215 249 G C 2.091 176.993 174.900 0.003 0.000 1.201 249 G CA 1.592 46.669 45.100 -0.038 0.000 0.784 249 G HN 0.612 8.902 8.290 -0.000 0.000 0.545 250 A N 0.379 123.209 122.820 0.016 0.000 1.978 250 A HA 0.094 4.414 4.320 0.001 0.000 0.220 250 A C 2.251 179.894 177.584 0.098 0.000 1.170 250 A CA 1.159 53.252 52.037 0.094 0.000 0.636 250 A CB -0.345 18.782 19.000 0.212 0.000 0.810 250 A HN 0.365 8.515 8.150 -0.000 0.000 0.448 251 L N -1.606 119.662 121.223 0.075 0.000 2.612 251 L HA 0.102 4.443 4.340 0.001 0.000 0.230 251 L C 0.405 177.306 176.870 0.051 0.000 1.140 251 L CA -0.069 54.817 54.840 0.076 0.000 0.896 251 L CB -0.243 41.859 42.059 0.071 0.000 1.065 251 L HN 0.386 8.616 8.230 -0.000 0.000 0.447 252 R N 0.458 120.982 120.500 0.040 0.000 3.416 252 R HA -0.189 4.151 4.340 0.001 0.000 0.263 252 R C -0.232 176.088 176.300 0.034 0.000 1.053 252 R CA 0.357 56.480 56.100 0.038 0.000 0.705 252 R CB -1.939 28.390 30.300 0.049 0.000 1.124 252 R HN 0.564 8.834 8.270 -0.000 0.000 0.444 253 Q N 0.270 120.082 119.800 0.019 0.000 2.312 253 Q HA 0.146 4.486 4.340 0.001 0.000 0.236 253 Q C 0.726 176.730 176.000 0.007 0.000 0.965 253 Q CA -0.474 55.340 55.803 0.019 0.000 0.894 253 Q CB 0.829 29.574 28.738 0.012 0.000 1.225 253 Q HN 0.237 8.507 8.270 -0.000 0.000 0.478 254 E N 0.767 120.979 120.200 0.020 0.000 2.072 254 E HA -0.116 4.235 4.350 0.001 0.000 0.191 254 E C -0.174 176.404 176.600 -0.037 0.000 0.985 254 E CA 1.050 57.457 56.400 0.012 0.000 0.801 254 E CB 0.368 30.093 29.700 0.040 0.000 0.750 254 E HN 0.521 8.881 8.360 -0.000 0.000 0.452 255 E N -0.211 119.947 120.200 -0.069 0.000 2.392 255 E HA 0.493 4.843 4.350 0.001 0.000 0.269 255 E C -1.320 175.089 176.600 -0.317 0.000 0.924 255 E CA -0.668 55.579 56.400 -0.255 0.000 0.784 255 E CB 3.033 32.492 29.700 -0.402 0.000 1.292 255 E HN -0.194 8.166 8.360 -0.000 0.000 0.447 256 V N 2.038 121.665 119.914 -0.477 0.000 2.577 256 V HA 0.315 4.436 4.120 0.001 0.000 0.303 256 V C -1.589 174.201 176.094 -0.507 0.000 1.042 256 V CA -0.784 61.327 62.300 -0.314 0.000 0.872 256 V CB 0.852 32.574 31.823 -0.168 0.000 0.998 256 V HN 0.520 8.710 8.190 -0.000 0.000 0.423 257 Y N 4.225 124.562 120.300 0.062 0.000 2.341 257 Y HA 0.658 5.209 4.550 0.001 0.000 0.337 257 Y C -0.550 175.450 175.900 0.166 0.000 1.014 257 Y CA -1.007 57.143 58.100 0.083 0.000 1.111 257 Y CB 1.330 39.820 38.460 0.051 0.000 1.194 257 Y HN 0.636 8.916 8.280 -0.000 0.000 0.462 258 Y N 2.494 122.865 120.300 0.119 0.000 2.315 258 Y HA 0.461 5.012 4.550 0.001 0.000 0.324 258 Y C -1.626 174.322 175.900 0.079 0.000 1.062 258 Y CA -0.811 57.336 58.100 0.078 0.000 1.159 258 Y CB 1.383 39.860 38.460 0.028 0.000 1.145 258 Y HN 0.797 9.077 8.280 -0.000 0.000 0.442 259 D N 1.537 121.679 120.400 -0.430 0.000 2.655 259 D HA 0.219 4.859 4.640 0.001 0.000 0.229 259 D C 0.306 176.390 176.300 -0.360 0.000 1.229 259 D CA 0.062 53.884 54.000 -0.296 0.000 0.807 259 D CB 1.956 42.717 40.800 -0.065 0.000 1.514 259 D HN 0.360 8.730 8.370 -0.000 0.000 0.444 260 S N 0.989 116.550 115.700 -0.232 0.000 2.423 260 S HA -0.034 4.436 4.470 0.001 0.000 0.231 260 S C 1.019 175.565 174.600 -0.089 0.000 1.014 260 S CA 0.503 58.606 58.200 -0.162 0.000 0.965 260 S CB -0.150 62.998 63.200 -0.087 0.000 0.785 260 S HN 0.311 8.621 8.310 -0.000 0.000 0.495 261 S N 0.227 115.894 115.700 -0.055 0.000 2.499 261 S HA 0.491 4.962 4.470 0.001 0.000 0.279 261 S C 0.785 175.421 174.600 0.060 0.000 1.219 261 S CA -0.858 57.343 58.200 0.002 0.000 1.062 261 S CB 0.596 63.801 63.200 0.010 0.000 0.978 261 S HN 0.439 8.749 8.310 -0.000 0.000 0.489 262 L N 3.607 124.908 121.223 0.131 0.000 2.240 262 L HA 0.028 4.368 4.340 0.001 0.000 0.211 262 L C 1.579 178.584 176.870 0.225 0.000 1.106 262 L CA 0.569 55.502 54.840 0.155 0.000 0.793 262 L CB -0.353 41.795 42.059 0.149 0.000 0.927 262 L HN 0.704 8.934 8.230 -0.000 0.000 0.446 263 W N 0.845 122.126 121.300 -0.032 0.000 2.335 263 W HA -0.173 4.487 4.660 0.000 0.000 0.311 263 W C 2.740 179.237 176.519 -0.036 0.000 1.213 263 W CA 1.557 58.883 57.345 -0.032 0.000 1.274 263 W CB -1.303 28.141 29.460 -0.027 0.000 1.148 263 W HN 0.035 8.215 8.180 -0.000 0.000 0.498 264 T N -0.714 113.969 114.554 0.216 0.000 2.737 264 T HA -0.222 4.129 4.350 0.001 0.000 0.265 264 T C 1.840 176.571 174.700 0.051 0.000 1.038 264 T CA 2.550 64.719 62.100 0.115 0.000 1.144 264 T CB -0.989 67.936 68.868 0.096 0.000 0.866 264 T HN 0.295 8.535 8.240 -0.000 0.000 0.434 265 T N 0.878 115.456 114.554 0.041 0.000 2.977 265 T HA 0.038 4.388 4.350 0.001 0.000 0.271 265 T C 1.852 176.508 174.700 -0.072 0.000 1.105 265 T CA 0.785 62.888 62.100 0.006 0.000 1.116 265 T CB -0.492 68.392 68.868 0.026 0.000 0.878 265 T HN 0.292 8.532 8.240 -0.000 0.000 0.509 266 L N -0.549 120.638 121.223 -0.059 0.000 2.200 266 L HA 0.323 4.663 4.340 0.001 0.000 0.200 266 L C 2.631 179.422 176.870 -0.131 0.000 1.072 266 L CA 0.508 55.280 54.840 -0.112 0.000 0.787 266 L CB -0.241 41.746 42.059 -0.121 0.000 0.957 266 L HN 0.232 8.462 8.230 -0.000 0.000 0.459 267 L N -0.343 120.829 121.223 -0.084 0.000 2.362 267 L HA -0.166 4.174 4.340 0.001 0.000 0.219 267 L C 2.358 179.178 176.870 -0.082 0.000 1.134 267 L CA 0.504 55.302 54.840 -0.071 0.000 0.807 267 L CB -0.120 41.931 42.059 -0.013 0.000 0.927 267 L HN 0.271 8.501 8.230 -0.000 0.000 0.447 268 I N -0.484 120.018 120.570 -0.114 0.000 2.617 268 I HA -0.066 4.105 4.170 0.001 0.000 0.256 268 I C 1.554 177.547 176.117 -0.208 0.000 1.167 268 I CA 0.538 61.778 61.300 -0.100 0.000 1.469 268 I CB -0.178 37.805 38.000 -0.028 0.000 1.098 268 I HN 0.032 8.242 8.210 -0.000 0.000 0.436 269 R N 1.824 122.091 120.500 -0.388 0.000 2.698 269 R HA -0.015 4.325 4.340 0.001 0.000 0.266 269 R C -0.040 176.174 176.300 -0.143 0.000 1.026 269 R CA 0.225 56.101 56.100 -0.373 0.000 1.102 269 R CB -0.052 30.039 30.300 -0.348 0.000 0.978 269 R HN 0.175 8.445 8.270 -0.000 0.000 0.436 270 N N 2.943 121.604 118.700 -0.065 0.000 2.690 270 N HA 0.180 4.921 4.740 0.001 0.000 0.255 270 N C -2.206 173.305 175.510 0.002 0.000 1.195 270 N CA -1.936 51.102 53.050 -0.018 0.000 0.790 270 N CB 1.228 39.720 38.487 0.008 0.000 1.216 270 N HN 0.244 8.624 8.380 -0.000 0.000 0.528 271 P HA 0.098 4.518 4.420 -0.000 0.000 0.226 271 P C 1.214 178.521 177.300 0.011 0.000 1.161 271 P CA 0.454 63.553 63.100 -0.002 0.000 0.804 271 P CB 0.587 32.273 31.700 -0.024 0.000 0.829 272 S N 0.683 116.389 115.700 0.010 0.000 2.365 272 S HA -0.237 4.234 4.470 0.001 0.000 0.221 272 S C 2.099 176.730 174.600 0.050 0.000 1.037 272 S CA 1.907 60.122 58.200 0.025 0.000 1.060 272 S CB -0.827 62.386 63.200 0.022 0.000 0.974 272 S HN 0.210 8.520 8.310 -0.000 0.000 0.427 273 R N 1.416 121.945 120.500 0.048 0.000 2.113 273 R HA -0.165 4.175 4.340 0.001 0.000 0.244 273 R C 2.007 178.357 176.300 0.084 0.000 1.142 273 R CA 1.868 58.005 56.100 0.062 0.000 0.953 273 R CB -0.258 30.070 30.300 0.046 0.000 0.860 273 R HN 0.270 8.540 8.270 -0.000 0.000 0.438 274 K N 0.078 120.526 120.400 0.080 0.000 2.209 274 K HA -0.098 4.222 4.320 0.001 0.000 0.204 274 K C 2.075 178.761 176.600 0.143 0.000 1.048 274 K CA 1.374 57.727 56.287 0.109 0.000 0.940 274 K CB -0.081 32.474 32.500 0.092 0.000 0.729 274 K HN 0.339 8.589 8.250 -0.000 0.000 0.451 275 I N 0.781 121.412 120.570 0.101 0.000 2.094 275 I HA -0.298 3.872 4.170 0.001 0.000 0.234 275 I C 2.071 178.297 176.117 0.182 0.000 1.063 275 I CA 0.725 62.084 61.300 0.098 0.000 1.328 275 I CB -0.278 37.743 38.000 0.035 0.000 1.058 275 I HN 0.042 8.252 8.210 -0.000 0.000 0.400 276 L N 0.858 122.191 121.223 0.183 0.000 2.030 276 L HA -0.315 4.025 4.340 0.001 0.000 0.222 276 L C 2.503 179.620 176.870 0.411 0.000 1.082 276 L CA 2.050 57.071 54.840 0.301 0.000 0.785 276 L CB -1.506 40.705 42.059 0.253 0.000 0.895 276 L HN 0.369 8.599 8.230 -0.000 0.000 0.439 277 E N -1.839 118.523 120.200 0.269 0.000 2.160 277 E HA -0.266 4.084 4.350 0.001 0.000 0.195 277 E C 2.096 178.868 176.600 0.286 0.000 0.991 277 E CA 1.290 57.830 56.400 0.233 0.000 0.810 277 E CB -0.179 29.605 29.700 0.140 0.000 0.742 277 E HN 0.479 8.839 8.360 -0.000 0.000 0.466 278 F N 0.286 120.319 119.950 0.139 0.000 2.530 278 F HA 0.083 4.610 4.527 0.000 0.000 0.292 278 F C 1.553 177.392 175.800 0.065 0.000 1.109 278 F CA 0.176 58.230 58.000 0.091 0.000 1.450 278 F CB 0.419 39.450 39.000 0.052 0.000 1.114 278 F HN -0.106 8.194 8.300 -0.000 0.000 0.560 279 L N 0.076 121.493 121.223 0.324 0.000 2.675 279 L HA -0.121 4.219 4.340 0.001 0.000 0.238 279 L C 0.497 177.242 176.870 -0.208 0.000 1.155 279 L CA 0.828 55.704 54.840 0.061 0.000 0.881 279 L CB -0.714 41.325 42.059 -0.033 0.000 1.008 279 L HN 0.334 8.564 8.230 -0.000 0.000 0.443 280 Y N -2.066 118.306 120.300 0.119 0.000 2.652 280 Y HA -0.052 4.498 4.550 0.000 0.000 0.274 280 Y C 2.665 178.621 175.900 0.092 0.000 1.148 280 Y CA 0.494 58.695 58.100 0.169 0.000 1.219 280 Y CB -0.234 38.348 38.460 0.205 0.000 1.337 280 Y HN 0.133 8.413 8.280 -0.000 0.000 0.490 281 S N 0.175 115.948 115.700 0.122 0.000 2.404 281 S HA -0.309 4.161 4.470 0.001 0.000 0.230 281 S C 2.091 176.628 174.600 -0.106 0.000 1.046 281 S CA 2.430 60.593 58.200 -0.060 0.000 1.135 281 S CB -1.474 61.528 63.200 -0.330 0.000 1.056 281 S HN 0.563 8.873 8.310 -0.000 0.000 0.426 282 T N -1.399 113.018 114.554 -0.228 0.000 2.942 282 T HA 0.091 4.441 4.350 0.001 0.000 0.265 282 T C 1.855 176.476 174.700 -0.131 0.000 1.062 282 T CA 1.290 63.293 62.100 -0.161 0.000 1.139 282 T CB -0.881 67.905 68.868 -0.136 0.000 0.883 282 T HN 0.372 8.612 8.240 -0.000 0.000 0.468 283 S N 0.363 115.959 115.700 -0.174 0.000 2.641 283 S HA 0.159 4.630 4.470 0.001 0.000 0.239 283 S C -0.763 173.357 174.600 -0.799 0.000 0.972 283 S CA -0.043 57.896 58.200 -0.435 0.000 0.954 283 S CB -0.616 62.280 63.200 -0.507 0.000 0.767 283 S HN 0.650 8.960 8.310 -0.000 0.000 0.539 284 Y N -1.067 119.240 120.300 0.011 0.000 2.750 284 Y HA 0.369 4.919 4.550 0.000 0.000 0.335 284 Y C -0.419 175.494 175.900 0.022 0.000 1.252 284 Y CA -1.627 56.493 58.100 0.033 0.000 1.064 284 Y CB 0.805 39.315 38.460 0.084 0.000 1.321 284 Y HN -0.008 8.272 8.280 -0.000 0.000 0.451 285 N N 0.487 119.322 118.700 0.226 0.000 2.372 285 N HA 0.454 5.194 4.740 0.001 0.000 0.285 285 N C -0.591 174.965 175.510 0.076 0.000 1.008 285 N CA -0.400 52.711 53.050 0.101 0.000 0.880 285 N CB 0.783 39.299 38.487 0.049 0.000 1.239 285 N HN 0.565 8.945 8.380 -0.000 0.000 0.484 286 M N 2.011 121.649 119.600 0.064 0.000 2.560 286 M HA 0.263 4.744 4.480 0.001 0.000 0.297 286 M C 0.143 176.441 176.300 -0.004 0.000 1.201 286 M CA -0.123 55.230 55.300 0.088 0.000 0.973 286 M CB -0.109 32.578 32.600 0.144 0.000 1.401 286 M HN 0.575 8.865 8.290 -0.000 0.000 0.497 287 D N -0.177 120.181 120.400 -0.071 0.000 2.178 287 D HA -0.142 4.498 4.640 0.001 0.000 0.202 287 D C 2.024 178.234 176.300 -0.150 0.000 0.974 287 D CA 0.933 54.885 54.000 -0.080 0.000 0.841 287 D CB 0.111 40.869 40.800 -0.069 0.000 0.953 287 D HN 0.255 8.625 8.370 -0.000 0.000 0.478 288 R N 0.019 120.320 120.500 -0.331 0.000 2.081 288 R HA -0.047 4.293 4.340 0.001 0.000 0.235 288 R C 0.226 176.276 176.300 -0.417 0.000 1.131 288 R CA 0.943 56.747 56.100 -0.495 0.000 0.960 288 R CB -0.449 29.340 30.300 -0.853 0.000 0.856 288 R HN 0.111 8.381 8.270 -0.000 0.000 0.436 289 F N 0.000 119.951 119.950 0.002 0.000 2.286 289 F HA 0.000 4.527 4.527 0.001 0.000 0.279 289 F CA 0.000 58.000 58.000 0.000 0.000 1.383 289 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 289 F HN 0.000 8.300 8.300 -0.000 0.000 0.574