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 1w3g_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIYIPPEGLY FRLLGFASRQ VIFARNSPSP DVGLSPVNDQ ATDQYFSLIY DATA SEQUENCE GTGEHAGLYA IKSKATGKVL FSRRPAEPYV GQIDGDGRYP DNWFKIEPGK DATA SEQUENCE TYLSKYFRLV QPSTGTALVS RTHLQPYFWN HPQTEVFDDQ YFTFLFEDMS DATA SEQUENCE IDKIEYDLKD GRILSSTPNV LATQTLENTS SQTQEMSFNL SQTLTQTSTF DATA SEQUENCE AYTAGFTIAV GTAFKAGVPI FAETEFKVDI SVDNQWNWGE ENTFSKTYTA DATA SEQUENCE TFSVRAGPGE TVKAVSTVDS GIINVPFTAY LSSKSTGFEV TTEGIWRGVS DATA SEQUENCE SWDLRHTLTS VTA 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 3 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 3 D C 0.000 176.378 176.300 0.130 0.000 2.045 3 D CA 0.000 54.058 54.000 0.096 0.000 0.868 3 D CB 0.000 40.852 40.800 0.087 0.000 0.688 4 I N 1.770 122.412 120.570 0.119 0.000 2.892 4 I HA 0.036 4.205 4.170 -0.002 0.000 0.287 4 I C -0.256 175.971 176.117 0.183 0.000 1.205 4 I CA -0.103 61.291 61.300 0.157 0.000 1.409 4 I CB 0.498 38.574 38.000 0.126 0.000 1.367 4 I HN 0.498 8.708 8.210 -0.000 0.000 0.597 5 Y N 7.546 127.926 120.300 0.133 0.000 2.404 5 Y HA 0.324 4.872 4.550 -0.002 0.000 0.344 5 Y C -0.495 175.492 175.900 0.144 0.000 0.995 5 Y CA -0.691 57.491 58.100 0.136 0.000 1.201 5 Y CB 0.253 38.793 38.460 0.133 0.000 1.151 5 Y HN 0.193 8.473 8.280 -0.000 0.000 0.517 6 I N 9.550 129.852 120.570 -0.446 0.000 2.339 6 I HA 0.273 4.442 4.170 -0.002 0.000 0.290 6 I C -2.146 173.572 176.117 -0.664 0.000 0.994 6 I CA -2.950 58.090 61.300 -0.432 0.000 1.191 6 I CB 1.063 38.828 38.000 -0.390 0.000 1.343 6 I HN 0.558 8.768 8.210 -0.000 0.000 0.458 7 P HA 0.198 4.618 4.420 -0.000 0.000 0.269 7 P C -2.638 174.632 177.300 -0.050 0.000 1.215 7 P CA -0.818 62.126 63.100 -0.259 0.000 0.780 7 P CB -0.019 31.707 31.700 0.043 0.000 0.898 8 P HA 0.150 4.570 4.420 -0.000 0.000 0.279 8 P C 0.837 178.030 177.300 -0.180 0.000 1.282 8 P CA -0.161 62.853 63.100 -0.144 0.000 0.788 8 P CB 0.975 32.660 31.700 -0.024 0.000 1.139 9 E N -0.110 119.939 120.200 -0.252 0.000 2.160 9 E HA -0.115 4.234 4.350 -0.002 0.000 0.195 9 E C 1.783 178.193 176.600 -0.316 0.000 0.991 9 E CA 1.580 57.887 56.400 -0.156 0.000 0.810 9 E CB -0.659 28.983 29.700 -0.096 0.000 0.742 9 E HN 0.648 9.008 8.360 -0.000 0.000 0.466 10 G N 0.734 109.205 108.800 -0.548 0.000 3.141 10 G HA2 0.128 4.087 3.960 -0.002 0.000 0.218 10 G HA3 0.128 4.087 3.960 -0.002 0.000 0.218 10 G C 0.173 174.356 174.900 -1.194 0.000 1.170 10 G CA -0.336 44.287 45.100 -0.794 0.000 0.769 10 G HN -0.016 8.274 8.290 -0.000 0.000 0.546 11 L N 0.808 121.393 121.223 -1.063 0.000 2.295 11 L HA 0.636 4.975 4.340 -0.002 0.000 0.285 11 L C -1.048 175.626 176.870 -0.326 0.000 1.035 11 L CA -1.625 52.842 54.840 -0.622 0.000 0.806 11 L CB 0.894 42.700 42.059 -0.421 0.000 1.214 11 L HN 0.119 8.349 8.230 -0.000 0.000 0.426 12 Y N 4.995 125.291 120.300 -0.006 0.000 2.403 12 Y HA 0.669 5.217 4.550 -0.003 0.000 0.323 12 Y C -0.127 175.944 175.900 0.285 0.000 1.226 12 Y CA -0.172 57.935 58.100 0.012 0.000 1.235 12 Y CB 1.307 39.803 38.460 0.060 0.000 1.248 12 Y HN 0.556 8.836 8.280 -0.000 0.000 0.489 13 F N -1.780 118.459 119.950 0.482 0.000 2.779 13 F HA 0.826 5.353 4.527 -0.001 0.000 0.316 13 F C -1.653 174.253 175.800 0.176 0.000 1.164 13 F CA -1.818 56.358 58.000 0.293 0.000 0.924 13 F CB 1.117 40.181 39.000 0.108 0.000 1.348 13 F HN 0.123 8.423 8.300 -0.000 0.000 0.467 14 R N 0.870 121.600 120.500 0.383 0.000 2.664 14 R HA 0.712 5.051 4.340 -0.002 0.000 0.286 14 R C -1.325 175.179 176.300 0.339 0.000 0.967 14 R CA -0.841 55.402 56.100 0.237 0.000 0.933 14 R CB 1.548 31.841 30.300 -0.011 0.000 1.146 14 R HN 0.789 9.059 8.270 -0.000 0.000 0.468 15 L N 3.603 124.970 121.223 0.240 0.000 2.287 15 L HA 0.383 4.722 4.340 -0.002 0.000 0.280 15 L C -0.794 176.173 176.870 0.162 0.000 1.055 15 L CA -0.883 54.039 54.840 0.136 0.000 0.863 15 L CB 0.854 42.887 42.059 -0.043 0.000 1.245 15 L HN 0.297 8.527 8.230 -0.000 0.000 0.432 16 L N 3.155 124.421 121.223 0.071 0.000 2.290 16 L HA 0.598 4.937 4.340 -0.002 0.000 0.284 16 L C 0.560 177.441 176.870 0.020 0.000 1.078 16 L CA 0.186 55.051 54.840 0.043 0.000 0.815 16 L CB 1.365 43.421 42.059 -0.006 0.000 1.162 16 L HN 0.414 8.644 8.230 -0.000 0.000 0.435 17 G N 3.576 112.355 108.800 -0.035 0.000 2.372 17 G HA2 0.166 4.125 3.960 -0.002 0.000 0.283 17 G HA3 0.166 4.125 3.960 -0.002 0.000 0.283 17 G C 0.196 175.118 174.900 0.037 0.000 1.177 17 G CA -0.334 44.641 45.100 -0.209 0.000 0.842 17 G HN 0.813 9.103 8.290 -0.000 0.000 0.503 18 F N 3.079 122.998 119.950 -0.051 0.000 2.069 18 F HA -0.092 4.434 4.527 -0.002 0.000 0.298 18 F C 2.433 178.154 175.800 -0.132 0.000 1.113 18 F CA 2.383 60.288 58.000 -0.159 0.000 1.214 18 F CB -0.020 38.717 39.000 -0.438 0.000 0.978 18 F HN 0.442 8.742 8.300 -0.000 0.000 0.474 19 A N 0.063 122.861 122.820 -0.036 0.000 1.832 19 A HA -0.134 4.185 4.320 -0.002 0.000 0.214 19 A C 2.349 179.868 177.584 -0.108 0.000 1.204 19 A CA 2.073 54.050 52.037 -0.101 0.000 0.606 19 A CB -1.571 17.484 19.000 0.092 0.000 0.849 19 A HN 0.506 8.656 8.150 -0.000 0.000 0.445 20 S N -1.153 114.521 115.700 -0.043 0.000 2.442 20 S HA -0.147 4.322 4.470 -0.002 0.000 0.236 20 S C 1.081 175.643 174.600 -0.063 0.000 1.007 20 S CA 1.089 59.269 58.200 -0.034 0.000 0.965 20 S CB -0.446 62.754 63.200 -0.000 0.000 0.773 20 S HN 0.516 8.826 8.310 -0.000 0.000 0.504 21 R N 0.492 120.947 120.500 -0.076 0.000 3.758 21 R HA -0.143 4.196 4.340 -0.002 0.000 0.299 21 R C -0.541 175.743 176.300 -0.025 0.000 1.182 21 R CA 1.097 57.161 56.100 -0.060 0.000 0.809 21 R CB -2.004 28.242 30.300 -0.090 0.000 1.249 21 R HN 0.680 8.950 8.270 -0.000 0.000 0.497 22 Q N -0.524 119.269 119.800 -0.012 0.000 2.433 22 Q HA 0.600 4.939 4.340 -0.002 0.000 0.279 22 Q C -0.641 175.385 176.000 0.043 0.000 1.105 22 Q CA -0.922 54.889 55.803 0.013 0.000 0.815 22 Q CB 3.032 31.775 28.738 0.008 0.000 1.403 22 Q HN -0.061 8.209 8.270 -0.000 0.000 0.435 23 V N 1.876 121.828 119.914 0.062 0.000 2.617 23 V HA 0.372 4.491 4.120 -0.002 0.000 0.298 23 V C -0.110 176.038 176.094 0.090 0.000 1.048 23 V CA -0.481 61.870 62.300 0.083 0.000 0.964 23 V CB 1.454 33.320 31.823 0.072 0.000 1.004 23 V HN 0.581 8.771 8.190 -0.000 0.000 0.466 24 I N 5.370 125.956 120.570 0.028 0.000 2.575 24 I HA 0.282 4.451 4.170 -0.002 0.000 0.285 24 I C -0.373 175.821 176.117 0.128 0.000 1.085 24 I CA 0.128 61.327 61.300 -0.169 0.000 1.403 24 I CB 0.532 38.222 38.000 -0.516 0.000 1.409 24 I HN 0.631 8.841 8.210 -0.000 0.000 0.557 25 F N 4.347 124.297 119.950 0.001 0.000 2.563 25 F HA 0.892 5.418 4.527 -0.002 0.000 0.316 25 F C -0.806 175.064 175.800 0.118 0.000 1.076 25 F CA -1.216 56.850 58.000 0.109 0.000 0.921 25 F CB 1.599 40.622 39.000 0.037 0.000 1.209 25 F HN 0.379 8.679 8.300 -0.000 0.000 0.462 26 A N 4.196 127.216 122.820 0.333 0.000 2.446 26 A HA 0.755 5.074 4.320 -0.002 0.000 0.282 26 A C -0.878 176.816 177.584 0.183 0.000 1.102 26 A CA -0.882 51.279 52.037 0.206 0.000 0.737 26 A CB 0.998 20.120 19.000 0.203 0.000 1.212 26 A HN 1.073 9.223 8.150 -0.000 0.000 0.434 27 R N 1.073 121.717 120.500 0.240 0.000 2.922 27 R HA 0.573 4.912 4.340 -0.002 0.000 0.256 27 R C -0.857 175.516 176.300 0.121 0.000 1.138 27 R CA -0.937 55.251 56.100 0.147 0.000 0.995 27 R CB 0.714 31.098 30.300 0.140 0.000 1.226 27 R HN 0.325 8.595 8.270 -0.000 0.000 0.481 28 N N -0.655 118.093 118.700 0.080 0.000 2.325 28 N HA 0.046 4.786 4.740 -0.002 0.000 0.182 28 N C -0.579 174.974 175.510 0.072 0.000 1.088 28 N CA 0.788 53.881 53.050 0.072 0.000 0.879 28 N CB 0.570 39.086 38.487 0.049 0.000 0.983 28 N HN 0.670 9.050 8.380 -0.000 0.000 0.471 29 S N -1.215 114.527 115.700 0.070 0.000 2.633 29 S HA 0.426 4.895 4.470 -0.002 0.000 0.271 29 S C -3.167 171.457 174.600 0.040 0.000 1.112 29 S CA -1.033 57.203 58.200 0.060 0.000 0.828 29 S CB 1.514 64.738 63.200 0.040 0.000 1.086 29 S HN -0.253 8.057 8.310 -0.000 0.000 0.461 30 P HA 0.312 4.732 4.420 -0.000 0.000 0.286 30 P C 1.096 178.442 177.300 0.076 0.000 1.278 30 P CA -0.061 63.065 63.100 0.042 0.000 0.785 30 P CB -0.034 31.679 31.700 0.021 0.000 1.269 31 S N 0.137 115.879 115.700 0.069 0.000 2.429 31 S HA -0.163 4.306 4.470 -0.002 0.000 0.263 31 S C -1.261 173.406 174.600 0.111 0.000 1.084 31 S CA 1.830 60.078 58.200 0.079 0.000 1.284 31 S CB -2.537 60.702 63.200 0.065 0.000 1.192 31 S HN 0.633 8.943 8.310 -0.000 0.000 0.436 32 P HA 0.182 4.602 4.420 -0.000 0.000 0.276 32 P C -0.218 177.232 177.300 0.250 0.000 1.253 32 P CA -0.041 63.170 63.100 0.184 0.000 0.766 32 P CB 0.748 32.578 31.700 0.216 0.000 0.845 33 D N 2.671 123.184 120.400 0.187 0.000 2.149 33 D HA -0.073 4.566 4.640 -0.002 0.000 0.201 33 D C 0.790 177.183 176.300 0.154 0.000 0.972 33 D CA 0.766 54.882 54.000 0.193 0.000 0.835 33 D CB -0.112 40.773 40.800 0.142 0.000 0.966 33 D HN 0.295 8.665 8.370 -0.000 0.000 0.476 34 V N -4.020 115.878 119.914 -0.025 0.000 2.962 34 V HA 0.876 4.995 4.120 -0.002 0.000 0.313 34 V C 0.026 175.708 176.094 -0.687 0.000 1.099 34 V CA -0.030 62.035 62.300 -0.392 0.000 0.971 34 V CB 1.670 33.430 31.823 -0.105 0.000 1.028 34 V HN 0.475 8.665 8.190 -0.000 0.000 0.430 35 G N 1.793 109.750 108.800 -1.405 0.000 2.356 35 G HA2 0.445 4.404 3.960 -0.002 0.000 0.281 35 G HA3 0.445 4.404 3.960 -0.002 0.000 0.281 35 G C -1.934 172.575 174.900 -0.651 0.000 1.246 35 G CA -0.750 43.871 45.100 -0.799 0.000 0.889 35 G HN 0.930 9.220 8.290 -0.000 0.000 0.486 36 L N 0.435 121.677 121.223 0.031 0.000 2.330 36 L HA 0.841 5.180 4.340 -0.002 0.000 0.271 36 L C 0.120 177.199 176.870 0.349 0.000 1.013 36 L CA -0.896 54.046 54.840 0.170 0.000 0.816 36 L CB 1.955 44.090 42.059 0.126 0.000 1.287 36 L HN 0.714 8.944 8.230 -0.000 0.000 0.435 37 S N 1.798 117.646 115.700 0.248 0.000 2.547 37 S HA 0.588 5.057 4.470 -0.002 0.000 0.270 37 S C -2.885 171.752 174.600 0.062 0.000 1.150 37 S CA -1.020 57.263 58.200 0.138 0.000 0.850 37 S CB 2.401 65.659 63.200 0.097 0.000 1.118 37 S HN 0.202 8.512 8.310 -0.000 0.000 0.461 38 P HA 0.157 4.577 4.420 -0.000 0.000 0.269 38 P C -0.686 176.621 177.300 0.011 0.000 1.209 38 P CA -0.340 62.762 63.100 0.003 0.000 0.776 38 P CB 0.379 32.072 31.700 -0.013 0.000 0.876 39 V N 3.327 123.248 119.914 0.012 0.000 2.788 39 V HA -0.056 4.063 4.120 -0.002 0.000 0.307 39 V C 0.818 176.921 176.094 0.014 0.000 1.069 39 V CA 0.807 63.114 62.300 0.012 0.000 1.173 39 V CB -0.453 31.378 31.823 0.013 0.000 0.925 39 V HN 0.676 8.866 8.190 -0.000 0.000 0.492 40 N N 2.244 120.956 118.700 0.020 0.000 2.621 40 N HA 0.206 4.945 4.740 -0.002 0.000 0.271 40 N C 0.283 175.839 175.510 0.078 0.000 1.181 40 N CA -0.519 52.551 53.050 0.034 0.000 0.805 40 N CB 0.963 39.460 38.487 0.016 0.000 1.351 40 N HN 0.642 9.022 8.380 -0.000 0.000 0.539 41 D N 1.727 122.185 120.400 0.097 0.000 2.315 41 D HA -0.173 4.466 4.640 -0.002 0.000 0.211 41 D C 0.716 177.160 176.300 0.240 0.000 0.977 41 D CA 1.437 55.547 54.000 0.184 0.000 0.894 41 D CB 0.423 41.313 40.800 0.150 0.000 0.910 41 D HN 0.720 9.090 8.370 -0.000 0.000 0.490 42 Q N -0.566 119.316 119.800 0.137 0.000 2.319 42 Q HA 0.232 4.571 4.340 -0.002 0.000 0.209 42 Q C 0.416 176.459 176.000 0.072 0.000 0.884 42 Q CA -0.155 55.694 55.803 0.077 0.000 0.938 42 Q CB 0.845 29.598 28.738 0.025 0.000 1.098 42 Q HN 0.047 8.317 8.270 -0.000 0.000 0.517 43 A N 0.904 123.796 122.820 0.120 0.000 2.544 43 A HA 0.110 4.429 4.320 -0.002 0.000 0.301 43 A C 0.954 178.639 177.584 0.168 0.000 1.368 43 A CA -0.100 51.987 52.037 0.083 0.000 1.045 43 A CB -0.002 19.023 19.000 0.041 0.000 1.129 43 A HN 0.181 8.331 8.150 -0.000 0.000 0.540 44 T N 1.568 116.148 114.554 0.042 0.000 2.778 44 T HA -0.182 4.167 4.350 -0.002 0.000 0.269 44 T C 1.539 176.274 174.700 0.059 0.000 1.050 44 T CA 1.848 63.935 62.100 -0.021 0.000 1.137 44 T CB -0.275 68.513 68.868 -0.133 0.000 0.860 44 T HN 0.742 8.982 8.240 -0.000 0.000 0.468 45 D N 1.559 121.978 120.400 0.031 0.000 2.170 45 D HA -0.133 4.506 4.640 -0.002 0.000 0.193 45 D C 1.993 178.316 176.300 0.039 0.000 1.004 45 D CA 1.266 55.279 54.000 0.023 0.000 0.860 45 D CB -0.118 40.689 40.800 0.012 0.000 0.931 45 D HN 0.569 8.939 8.370 -0.000 0.000 0.448 46 Q N -1.324 118.539 119.800 0.105 0.000 2.320 46 Q HA 0.025 4.364 4.340 -0.002 0.000 0.201 46 Q C -0.362 175.623 176.000 -0.024 0.000 0.910 46 Q CA -0.007 55.849 55.803 0.089 0.000 0.946 46 Q CB 0.364 29.112 28.738 0.017 0.000 1.062 46 Q HN 0.344 8.614 8.270 -0.000 0.000 0.503 47 Y N -0.243 119.964 120.300 -0.155 0.000 2.387 47 Y HA 0.464 5.014 4.550 -0.001 0.000 0.336 47 Y C -0.281 175.359 175.900 -0.433 0.000 1.067 47 Y CA -0.993 57.034 58.100 -0.122 0.000 1.114 47 Y CB 0.911 39.293 38.460 -0.130 0.000 1.208 47 Y HN -0.126 8.154 8.280 -0.000 0.000 0.458 48 F N -0.124 119.750 119.950 -0.127 0.000 2.643 48 F HA 0.706 5.232 4.527 -0.001 0.000 0.314 48 F C -0.276 175.019 175.800 -0.842 0.000 1.096 48 F CA -0.986 56.823 58.000 -0.318 0.000 0.953 48 F CB 2.118 40.955 39.000 -0.272 0.000 1.345 48 F HN 0.397 8.697 8.300 -0.000 0.000 0.468 49 S N 0.446 115.925 115.700 -0.367 0.000 2.697 49 S HA 0.893 5.363 4.470 -0.002 0.000 0.289 49 S C -1.471 173.123 174.600 -0.010 0.000 1.149 49 S CA -0.955 56.979 58.200 -0.443 0.000 0.850 49 S CB 1.850 64.683 63.200 -0.611 0.000 1.151 49 S HN 0.560 8.870 8.310 -0.000 0.000 0.491 50 L N 0.670 121.988 121.223 0.159 0.000 2.330 50 L HA 0.627 4.966 4.340 -0.002 0.000 0.271 50 L C -0.892 176.157 176.870 0.297 0.000 1.013 50 L CA -0.961 54.051 54.840 0.286 0.000 0.816 50 L CB 1.438 43.709 42.059 0.353 0.000 1.287 50 L HN 0.608 8.838 8.230 -0.000 0.000 0.435 51 I N 1.607 122.371 120.570 0.325 0.000 2.382 51 I HA 0.225 4.394 4.170 -0.002 0.000 0.285 51 I C -0.941 175.499 176.117 0.538 0.000 1.007 51 I CA -0.650 60.857 61.300 0.345 0.000 1.142 51 I CB 1.028 39.146 38.000 0.198 0.000 1.289 51 I HN 0.360 8.570 8.210 -0.000 0.000 0.453 52 Y N 4.582 125.061 120.300 0.300 0.000 2.605 52 Y HA 0.193 4.742 4.550 -0.001 0.000 0.336 52 Y C 1.303 177.320 175.900 0.194 0.000 1.111 52 Y CA -0.177 58.078 58.100 0.257 0.000 1.422 52 Y CB 0.341 38.919 38.460 0.197 0.000 1.193 52 Y HN 0.592 8.872 8.280 -0.000 0.000 0.526 53 G N 2.670 111.568 108.800 0.163 0.000 2.491 53 G HA2 0.427 4.386 3.960 -0.002 0.000 0.238 53 G HA3 0.427 4.386 3.960 -0.002 0.000 0.238 53 G C 0.016 174.843 174.900 -0.122 0.000 1.277 53 G CA -0.116 44.916 45.100 -0.112 0.000 0.851 53 G HN 0.681 8.971 8.290 -0.000 0.000 0.573 54 T N -1.719 112.732 114.554 -0.172 0.000 2.831 54 T HA 0.801 5.150 4.350 -0.002 0.000 0.287 54 T C 1.026 175.628 174.700 -0.163 0.000 1.070 54 T CA 0.533 62.571 62.100 -0.103 0.000 1.010 54 T CB 1.426 70.273 68.868 -0.034 0.000 1.264 54 T HN 2.286 10.526 8.240 -0.000 0.000 0.532 55 G N 1.083 109.804 108.800 -0.131 0.000 2.591 55 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.298 55 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.298 55 G C 0.566 175.334 174.900 -0.220 0.000 1.195 55 G CA 0.572 45.573 45.100 -0.165 0.000 0.989 55 G HN 0.951 9.241 8.290 -0.000 0.000 0.551 56 E N 0.658 120.657 120.200 -0.334 0.000 2.511 56 E HA 0.040 4.389 4.350 -0.002 0.000 0.196 56 E C 1.461 177.792 176.600 -0.448 0.000 1.066 56 E CA 0.455 56.631 56.400 -0.373 0.000 0.871 56 E CB 0.007 29.456 29.700 -0.419 0.000 0.863 56 E HN 0.570 8.930 8.360 -0.000 0.000 0.520 57 H N -0.108 118.734 119.070 -0.380 0.000 2.586 57 H HA 0.275 4.830 4.556 -0.002 0.000 0.273 57 H C 0.521 175.613 175.328 -0.394 0.000 0.997 57 H CA -0.036 55.700 56.048 -0.519 0.000 1.177 57 H CB 0.149 29.266 29.762 -1.074 0.000 1.471 57 H HN 0.031 8.311 8.280 -0.000 0.000 0.538 58 A N 0.638 123.346 122.820 -0.187 0.000 2.567 58 A HA 0.340 4.659 4.320 -0.002 0.000 0.240 58 A C 1.555 179.038 177.584 -0.168 0.000 1.053 58 A CA 1.125 53.070 52.037 -0.154 0.000 0.755 58 A CB -0.422 18.517 19.000 -0.101 0.000 0.978 58 A HN 0.605 8.755 8.150 -0.000 0.000 0.507 59 G N 0.987 109.641 108.800 -0.243 0.000 2.176 59 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.232 59 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.232 59 G C -0.004 174.666 174.900 -0.384 0.000 0.986 59 G CA 0.328 45.286 45.100 -0.236 0.000 0.643 59 G HN 0.841 9.131 8.290 -0.000 0.000 0.522 60 L N -1.141 119.771 121.223 -0.519 0.000 2.256 60 L HA 0.889 5.228 4.340 -0.002 0.000 0.261 60 L C -0.198 176.250 176.870 -0.703 0.000 1.022 60 L CA -1.608 53.010 54.840 -0.369 0.000 0.828 60 L CB 1.691 43.763 42.059 0.021 0.000 1.374 60 L HN 0.082 8.312 8.230 -0.000 0.000 0.436 61 Y N -0.637 119.849 120.300 0.309 0.000 2.562 61 Y HA 0.695 5.244 4.550 -0.002 0.000 0.345 61 Y C -0.151 175.832 175.900 0.138 0.000 1.045 61 Y CA -0.931 57.316 58.100 0.245 0.000 1.028 61 Y CB 1.958 40.434 38.460 0.027 0.000 1.297 61 Y HN 0.505 8.785 8.280 -0.000 0.000 0.463 62 A N 2.124 124.957 122.820 0.022 0.000 2.337 62 A HA 0.842 5.161 4.320 -0.002 0.000 0.329 62 A C -1.067 176.535 177.584 0.029 0.000 1.146 62 A CA -0.731 51.161 52.037 -0.243 0.000 0.800 62 A CB 0.444 19.007 19.000 -0.729 0.000 1.220 62 A HN 0.698 8.848 8.150 -0.000 0.000 0.472 63 I N 2.067 122.656 120.570 0.032 0.000 2.330 63 I HA 0.278 4.447 4.170 -0.002 0.000 0.286 63 I C 0.236 176.457 176.117 0.173 0.000 1.025 63 I CA -0.250 61.095 61.300 0.075 0.000 1.197 63 I CB 1.174 39.088 38.000 -0.143 0.000 1.358 63 I HN 0.630 8.840 8.210 -0.000 0.000 0.467 64 K N 4.947 125.471 120.400 0.206 0.000 2.211 64 K HA 0.308 4.627 4.320 -0.002 0.000 0.275 64 K C 0.070 176.801 176.600 0.217 0.000 1.024 64 K CA -0.323 56.079 56.287 0.191 0.000 0.887 64 K CB 1.311 33.864 32.500 0.089 0.000 1.084 64 K HN 0.574 8.824 8.250 -0.000 0.000 0.463 65 S N 3.340 119.109 115.700 0.116 0.000 2.531 65 S HA 0.025 4.495 4.470 -0.002 0.000 0.279 65 S C 0.993 175.481 174.600 -0.187 0.000 1.305 65 S CA -0.113 57.916 58.200 -0.285 0.000 1.058 65 S CB 0.932 64.038 63.200 -0.157 0.000 0.899 65 S HN 0.831 9.141 8.310 -0.000 0.000 0.493 66 K N 3.732 123.974 120.400 -0.262 0.000 2.167 66 K HA 0.048 4.367 4.320 -0.002 0.000 0.203 66 K C 1.894 178.421 176.600 -0.122 0.000 1.052 66 K CA 1.044 57.283 56.287 -0.080 0.000 0.956 66 K CB -0.390 32.041 32.500 -0.114 0.000 0.735 66 K HN 0.748 8.998 8.250 -0.000 0.000 0.451 67 A N -0.006 122.718 122.820 -0.160 0.000 1.970 67 A HA -0.024 4.295 4.320 -0.002 0.000 0.216 67 A C 1.807 179.357 177.584 -0.056 0.000 1.170 67 A CA 1.557 53.532 52.037 -0.103 0.000 0.645 67 A CB -0.177 18.770 19.000 -0.089 0.000 0.816 67 A HN 0.326 8.476 8.150 -0.000 0.000 0.447 68 T N -2.292 112.233 114.554 -0.048 0.000 2.990 68 T HA 0.386 4.735 4.350 -0.002 0.000 0.249 68 T C 1.487 176.199 174.700 0.020 0.000 1.039 68 T CA 0.955 63.055 62.100 0.001 0.000 1.036 68 T CB 0.523 69.408 68.868 0.029 0.000 0.994 68 T HN 1.260 9.500 8.240 -0.000 0.000 0.489 69 G N 2.192 111.000 108.800 0.014 0.000 2.284 69 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.261 69 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.261 69 G C 0.235 175.173 174.900 0.063 0.000 0.997 69 G CA 0.350 45.473 45.100 0.039 0.000 0.621 69 G HN 0.479 8.769 8.290 -0.000 0.000 0.534 70 K N -0.023 120.423 120.400 0.076 0.000 2.180 70 K HA 0.556 4.875 4.320 -0.002 0.000 0.251 70 K C 0.154 176.836 176.600 0.137 0.000 1.014 70 K CA -0.314 56.040 56.287 0.113 0.000 0.913 70 K CB 1.612 34.189 32.500 0.129 0.000 1.008 70 K HN 0.044 8.294 8.250 -0.000 0.000 0.490 71 V N 2.820 122.826 119.914 0.154 0.000 2.630 71 V HA 0.273 4.392 4.120 -0.002 0.000 0.305 71 V C 0.026 176.243 176.094 0.206 0.000 1.046 71 V CA -0.845 61.544 62.300 0.150 0.000 0.934 71 V CB 1.552 33.418 31.823 0.070 0.000 1.003 71 V HN 0.531 8.721 8.190 -0.000 0.000 0.451 72 L N 4.561 125.892 121.223 0.180 0.000 2.436 72 L HA 0.501 4.840 4.340 -0.002 0.000 0.265 72 L C -0.438 176.631 176.870 0.331 0.000 1.168 72 L CA 0.005 54.944 54.840 0.165 0.000 0.815 72 L CB 0.777 42.841 42.059 0.007 0.000 1.109 72 L HN 0.741 8.971 8.230 -0.000 0.000 0.462 73 F N -0.202 119.880 119.950 0.220 0.000 2.643 73 F HA 0.726 5.252 4.527 -0.002 0.000 0.314 73 F C -0.629 175.251 175.800 0.134 0.000 1.096 73 F CA -1.024 57.065 58.000 0.149 0.000 0.953 73 F CB 1.885 40.890 39.000 0.009 0.000 1.345 73 F HN 0.240 8.540 8.300 -0.000 0.000 0.468 74 S N 1.692 117.553 115.700 0.269 0.000 2.689 74 S HA 0.667 5.136 4.470 -0.002 0.000 0.274 74 S C -1.357 173.253 174.600 0.017 0.000 1.176 74 S CA -0.751 57.491 58.200 0.070 0.000 1.014 74 S CB 0.754 64.005 63.200 0.085 0.000 1.071 74 S HN 1.155 9.465 8.310 -0.000 0.000 0.478 75 R N 3.018 123.519 120.500 0.003 0.000 2.774 75 R HA 0.631 4.970 4.340 -0.002 0.000 0.272 75 R C -0.374 175.755 176.300 -0.285 0.000 1.000 75 R CA -0.971 55.076 56.100 -0.087 0.000 0.906 75 R CB 0.820 31.114 30.300 -0.011 0.000 1.227 75 R HN 0.392 8.662 8.270 -0.000 0.000 0.468 76 R N 0.080 120.368 120.500 -0.354 0.000 2.254 76 R HA 0.195 4.534 4.340 -0.002 0.000 0.193 76 R C -1.238 174.805 176.300 -0.429 0.000 0.929 76 R CA -0.174 55.525 56.100 -0.669 0.000 1.038 76 R CB -0.589 29.414 30.300 -0.496 0.000 1.009 76 R HN 0.617 8.887 8.270 -0.000 0.000 0.512 77 P HA 0.088 4.508 4.420 -0.000 0.000 0.211 77 P C 0.043 177.439 177.300 0.160 0.000 1.183 77 P CA 0.493 63.599 63.100 0.010 0.000 0.901 77 P CB -0.137 31.554 31.700 -0.014 0.000 0.762 78 A N 0.560 123.445 122.820 0.109 0.000 2.462 78 A HA 0.164 4.483 4.320 -0.002 0.000 0.243 78 A C 0.136 177.845 177.584 0.209 0.000 1.076 78 A CA 0.165 52.273 52.037 0.118 0.000 0.773 78 A CB -0.438 18.576 19.000 0.024 0.000 1.010 78 A HN 0.162 8.312 8.150 -0.000 0.000 0.493 79 E N 1.713 121.986 120.200 0.121 0.000 2.204 79 E HA 0.551 4.900 4.350 -0.002 0.000 0.276 79 E C -2.074 174.581 176.600 0.092 0.000 0.974 79 E CA -1.486 54.943 56.400 0.049 0.000 0.815 79 E CB 0.841 30.528 29.700 -0.021 0.000 1.119 79 E HN 0.611 8.971 8.360 -0.000 0.000 0.393 80 P HA 0.069 4.489 4.420 -0.000 0.000 0.277 80 P C -0.146 177.193 177.300 0.067 0.000 1.240 80 P CA -0.196 62.978 63.100 0.124 0.000 0.798 80 P CB 0.576 32.419 31.700 0.238 0.000 0.979 81 Y N 0.076 120.104 120.300 -0.453 0.000 2.421 81 Y HA 0.016 4.565 4.550 -0.002 0.000 0.292 81 Y C 1.448 177.033 175.900 -0.524 0.000 1.136 81 Y CA 0.016 57.748 58.100 -0.613 0.000 1.255 81 Y CB -0.782 36.969 38.460 -1.182 0.000 0.991 81 Y HN 0.154 8.434 8.280 -0.000 0.000 0.552 82 V N -3.368 116.249 119.914 -0.496 0.000 3.078 82 V HA 1.062 5.181 4.120 -0.002 0.000 0.311 82 V C -0.065 175.554 176.094 -0.791 0.000 1.138 82 V CA -0.368 61.494 62.300 -0.730 0.000 1.007 82 V CB 1.727 33.104 31.823 -0.743 0.000 1.045 82 V HN 0.204 8.394 8.190 -0.000 0.000 0.432 83 G N 1.733 109.826 108.800 -1.179 0.000 2.367 83 G HA2 0.393 4.352 3.960 -0.002 0.000 0.272 83 G HA3 0.393 4.352 3.960 -0.002 0.000 0.272 83 G C -1.738 172.939 174.900 -0.371 0.000 1.271 83 G CA -0.516 44.235 45.100 -0.581 0.000 0.893 83 G HN 0.912 9.202 8.290 -0.000 0.000 0.485 84 Q N -1.159 118.714 119.800 0.121 0.000 2.252 84 Q HA 0.827 5.166 4.340 -0.002 0.000 0.256 84 Q C -1.295 174.959 176.000 0.425 0.000 1.020 84 Q CA -0.771 55.190 55.803 0.264 0.000 0.913 84 Q CB 2.581 31.434 28.738 0.192 0.000 1.286 84 Q HN 0.651 8.921 8.270 -0.000 0.000 0.480 85 I N -0.061 120.690 120.570 0.301 0.000 2.714 85 I HA 0.086 4.255 4.170 -0.002 0.000 0.290 85 I C -1.534 174.704 176.117 0.201 0.000 1.663 85 I CA -0.301 61.130 61.300 0.218 0.000 1.011 85 I CB 1.929 40.001 38.000 0.120 0.000 1.462 85 I HN 0.555 8.765 8.210 -0.000 0.000 0.476 86 D N 3.958 124.468 120.400 0.183 0.000 2.372 86 D HA 0.513 5.152 4.640 -0.002 0.000 0.243 86 D C 0.135 176.548 176.300 0.189 0.000 1.297 86 D CA 1.312 55.409 54.000 0.161 0.000 0.958 86 D CB 0.462 41.340 40.800 0.130 0.000 1.114 86 D HN 1.079 9.449 8.370 -0.000 0.000 0.496 87 G N 1.248 110.117 108.800 0.115 0.000 2.815 87 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.234 87 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.234 87 G C -0.275 174.667 174.900 0.071 0.000 0.971 87 G CA -0.479 44.661 45.100 0.066 0.000 1.124 87 G HN 0.488 8.778 8.290 -0.000 0.000 0.435 88 D N 1.250 121.690 120.400 0.066 0.000 2.807 88 D HA 0.265 4.904 4.640 -0.002 0.000 0.225 88 D C 1.652 177.982 176.300 0.049 0.000 1.064 88 D CA 2.114 56.147 54.000 0.055 0.000 1.403 88 D CB -0.707 40.140 40.800 0.078 0.000 1.146 88 D HN 1.859 10.229 8.370 -0.000 0.000 0.465 89 G N 1.618 110.405 108.800 -0.022 0.000 2.131 89 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.201 89 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.201 89 G C 1.070 176.116 174.900 0.243 0.000 1.000 89 G CA 0.217 45.288 45.100 -0.049 0.000 0.680 89 G HN 0.489 8.779 8.290 -0.000 0.000 0.514 90 R N -0.848 119.673 120.500 0.035 0.000 2.091 90 R HA -0.026 4.314 4.340 -0.002 0.000 0.238 90 R C 0.615 176.755 176.300 -0.266 0.000 1.136 90 R CA 1.432 57.406 56.100 -0.210 0.000 0.959 90 R CB -0.152 29.817 30.300 -0.550 0.000 0.856 90 R HN 0.484 8.754 8.270 -0.000 0.000 0.437 91 Y N -0.187 120.179 120.300 0.110 0.000 2.352 91 Y HA 0.293 4.842 4.550 -0.001 0.000 0.326 91 Y C -1.425 174.574 175.900 0.166 0.000 1.166 91 Y CA -3.118 55.036 58.100 0.090 0.000 1.182 91 Y CB 0.818 39.269 38.460 -0.014 0.000 1.216 91 Y HN 0.012 8.292 8.280 -0.000 0.000 0.474 92 P HA -0.181 4.239 4.420 -0.000 0.000 0.223 92 P C 0.401 177.818 177.300 0.196 0.000 1.144 92 P CA 1.425 64.720 63.100 0.325 0.000 0.783 92 P CB 0.442 32.267 31.700 0.209 0.000 0.771 93 D N -0.325 120.139 120.400 0.107 0.000 2.348 93 D HA -0.041 4.598 4.640 -0.002 0.000 0.216 93 D C 1.166 177.403 176.300 -0.106 0.000 0.970 93 D CA 0.552 54.542 54.000 -0.017 0.000 0.889 93 D CB -0.224 40.566 40.800 -0.016 0.000 0.912 93 D HN 0.166 8.536 8.370 -0.000 0.000 0.524 94 N N -0.491 118.121 118.700 -0.146 0.000 2.336 94 N HA -0.028 4.711 4.740 -0.002 0.000 0.189 94 N C -0.218 174.875 175.510 -0.696 0.000 1.113 94 N CA 0.077 52.925 53.050 -0.336 0.000 0.858 94 N CB 0.149 38.392 38.487 -0.408 0.000 0.970 94 N HN 0.189 8.569 8.380 -0.000 0.000 0.471 95 W N 0.497 121.622 121.300 -0.291 0.000 2.433 95 W HA 0.509 5.167 4.660 -0.002 0.000 0.315 95 W C -0.386 175.891 176.519 -0.403 0.000 1.087 95 W CA -0.664 56.528 57.345 -0.256 0.000 1.205 95 W CB 0.456 29.694 29.460 -0.371 0.000 1.288 95 W HN -0.249 7.931 8.180 -0.000 0.000 0.504 96 F N 1.789 121.826 119.950 0.145 0.000 2.577 96 F HA 0.450 4.976 4.527 -0.002 0.000 0.318 96 F C 0.117 175.996 175.800 0.132 0.000 1.065 96 F CA -1.591 56.468 58.000 0.099 0.000 0.929 96 F CB 1.812 40.832 39.000 0.032 0.000 1.237 96 F HN 0.086 8.386 8.300 -0.000 0.000 0.468 97 K N 2.525 123.090 120.400 0.275 0.000 2.182 97 K HA 0.621 4.940 4.320 -0.002 0.000 0.262 97 K C -1.186 175.505 176.600 0.150 0.000 0.957 97 K CA -0.429 55.969 56.287 0.186 0.000 0.842 97 K CB 0.975 33.540 32.500 0.107 0.000 1.099 97 K HN 0.662 8.912 8.250 -0.000 0.000 0.438 98 I N 4.294 124.920 120.570 0.093 0.000 2.291 98 I HA 0.122 4.292 4.170 -0.002 0.000 0.290 98 I C -0.391 175.716 176.117 -0.017 0.000 1.050 98 I CA -0.236 61.025 61.300 -0.065 0.000 1.245 98 I CB 1.155 38.961 38.000 -0.324 0.000 1.405 98 I HN 0.531 8.741 8.210 -0.000 0.000 0.478 99 E N 8.295 128.523 120.200 0.047 0.000 2.070 99 E HA 0.291 4.640 4.350 -0.002 0.000 0.261 99 E C -2.381 174.306 176.600 0.146 0.000 0.926 99 E CA -1.928 54.514 56.400 0.071 0.000 0.760 99 E CB 0.899 30.627 29.700 0.047 0.000 1.133 99 E HN 0.290 8.650 8.360 -0.000 0.000 0.420 100 P HA -0.046 4.373 4.420 -0.000 0.000 0.266 100 P C 0.198 177.633 177.300 0.225 0.000 1.195 100 P CA 0.141 63.371 63.100 0.218 0.000 0.768 100 P CB 0.770 32.552 31.700 0.138 0.000 0.838 101 G N 2.341 111.305 108.800 0.273 0.000 2.543 101 G HA2 0.433 4.393 3.960 -0.002 0.000 0.290 101 G HA3 0.433 4.393 3.960 -0.002 0.000 0.290 101 G C -0.642 174.228 174.900 -0.049 0.000 1.310 101 G CA -0.552 44.620 45.100 0.119 0.000 1.025 101 G HN 0.358 8.648 8.290 -0.000 0.000 0.502 102 K N -1.313 118.967 120.400 -0.199 0.000 2.352 102 K HA 0.640 4.959 4.320 -0.002 0.000 0.240 102 K C 0.582 177.023 176.600 -0.266 0.000 1.017 102 K CA -0.376 55.813 56.287 -0.163 0.000 0.851 102 K CB 1.774 34.205 32.500 -0.116 0.000 1.261 102 K HN 0.602 8.852 8.250 -0.000 0.000 0.451 103 T N 0.248 114.718 114.554 -0.140 0.000 14.016 103 T HA -0.342 4.007 4.350 -0.002 0.000 0.419 103 T C 1.154 175.800 174.700 -0.090 0.000 1.441 103 T CA 2.294 64.339 62.100 -0.091 0.000 2.336 103 T CB -1.451 67.377 68.868 -0.066 0.000 2.765 103 T HN 0.839 9.079 8.240 -0.000 0.000 0.338 104 Y N 1.260 121.487 120.300 -0.122 0.000 2.574 104 Y HA 0.470 5.019 4.550 -0.002 0.000 0.294 104 Y C 1.805 177.565 175.900 -0.234 0.000 1.142 104 Y CA 0.523 58.547 58.100 -0.127 0.000 1.314 104 Y CB -0.364 38.027 38.460 -0.115 0.000 0.991 104 Y HN 0.414 8.694 8.280 -0.000 0.000 0.555 105 L N 0.842 121.658 121.223 -0.679 0.000 2.910 105 L HA 0.176 4.515 4.340 -0.002 0.000 0.252 105 L C 1.983 178.742 176.870 -0.185 0.000 1.195 105 L CA 0.346 54.800 54.840 -0.643 0.000 1.003 105 L CB -0.118 41.205 42.059 -1.227 0.000 1.328 105 L HN 0.349 8.579 8.230 -0.000 0.000 0.540 106 S N -0.662 114.993 115.700 -0.075 0.000 2.447 106 S HA -0.128 4.341 4.470 -0.002 0.000 0.233 106 S C 1.550 176.219 174.600 0.116 0.000 1.006 106 S CA 0.771 58.987 58.200 0.028 0.000 0.957 106 S CB -0.126 63.091 63.200 0.029 0.000 0.773 106 S HN 0.416 8.726 8.310 -0.000 0.000 0.507 107 K N -0.022 120.484 120.400 0.177 0.000 2.397 107 K HA 0.298 4.617 4.320 -0.002 0.000 0.202 107 K C -0.964 175.636 176.600 -0.000 0.000 1.022 107 K CA -0.142 56.224 56.287 0.130 0.000 1.141 107 K CB 0.259 32.823 32.500 0.107 0.000 0.857 107 K HN 0.387 8.637 8.250 -0.000 0.000 0.514 108 Y N 0.054 120.333 120.300 -0.034 0.000 2.630 108 Y HA 0.477 5.026 4.550 -0.001 0.000 0.337 108 Y C -0.250 175.664 175.900 0.025 0.000 1.051 108 Y CA -1.510 56.486 58.100 -0.174 0.000 1.121 108 Y CB 1.298 39.676 38.460 -0.136 0.000 1.299 108 Y HN -0.060 8.220 8.280 -0.000 0.000 0.498 109 F N -2.158 117.931 119.950 0.232 0.000 2.719 109 F HA 0.702 5.228 4.527 -0.001 0.000 0.309 109 F C -1.313 174.380 175.800 -0.178 0.000 1.138 109 F CA -1.818 56.200 58.000 0.031 0.000 0.943 109 F CB 1.159 40.094 39.000 -0.109 0.000 1.304 109 F HN 0.219 8.519 8.300 -0.000 0.000 0.445 110 R N 1.302 121.732 120.500 -0.116 0.000 2.500 110 R HA 0.690 5.029 4.340 -0.002 0.000 0.277 110 R C -1.208 175.144 176.300 0.088 0.000 1.026 110 R CA -0.940 55.059 56.100 -0.169 0.000 1.058 110 R CB 1.623 31.736 30.300 -0.312 0.000 1.078 110 R HN 0.724 8.994 8.270 -0.000 0.000 0.509 111 L N 2.923 124.186 121.223 0.067 0.000 2.371 111 L HA 0.324 4.663 4.340 -0.002 0.000 0.262 111 L C -0.736 176.264 176.870 0.217 0.000 1.054 111 L CA -0.705 54.157 54.840 0.036 0.000 0.924 111 L CB 1.441 43.301 42.059 -0.332 0.000 1.295 111 L HN 0.247 8.477 8.230 -0.000 0.000 0.441 112 V N 2.370 122.419 119.914 0.225 0.000 2.439 112 V HA 0.200 4.319 4.120 -0.002 0.000 0.282 112 V C 0.188 176.379 176.094 0.162 0.000 1.039 112 V CA -0.562 61.847 62.300 0.182 0.000 0.913 112 V CB 1.729 33.603 31.823 0.086 0.000 0.983 112 V HN 0.697 8.887 8.190 -0.000 0.000 0.460 113 Q N 7.971 127.777 119.800 0.009 0.000 2.465 113 Q HA 0.372 4.711 4.340 -0.002 0.000 0.237 113 Q C -2.344 173.584 176.000 -0.121 0.000 1.051 113 Q CA -1.662 53.984 55.803 -0.261 0.000 0.874 113 Q CB 1.614 29.999 28.738 -0.588 0.000 1.207 113 Q HN 0.341 8.611 8.270 -0.000 0.000 0.508 114 P HA -0.305 4.115 4.420 -0.000 0.000 0.214 114 P C 1.169 178.446 177.300 -0.038 0.000 1.172 114 P CA 2.239 65.322 63.100 -0.029 0.000 0.925 114 P CB -0.001 31.697 31.700 -0.003 0.000 0.793 115 S N -1.285 114.397 115.700 -0.029 0.000 2.421 115 S HA -0.247 4.222 4.470 -0.002 0.000 0.239 115 S C 1.685 176.258 174.600 -0.046 0.000 1.054 115 S CA 2.572 60.759 58.200 -0.022 0.000 1.035 115 S CB -1.415 61.791 63.200 0.009 0.000 0.840 115 S HN 0.419 8.729 8.310 -0.000 0.000 0.475 116 T N -3.696 110.814 114.554 -0.073 0.000 3.044 116 T HA 0.493 4.842 4.350 -0.002 0.000 0.260 116 T C 1.309 175.953 174.700 -0.093 0.000 1.019 116 T CA 0.738 62.785 62.100 -0.089 0.000 0.921 116 T CB 0.010 68.810 68.868 -0.114 0.000 1.053 116 T HN 1.178 9.418 8.240 -0.000 0.000 0.533 117 G N 1.154 109.910 108.800 -0.073 0.000 2.323 117 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.292 117 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.292 117 G C 0.009 174.866 174.900 -0.071 0.000 1.040 117 G CA 0.493 45.558 45.100 -0.059 0.000 0.942 117 G HN 0.915 9.205 8.290 -0.000 0.000 0.506 118 T N -0.985 113.525 114.554 -0.074 0.000 2.887 118 T HA 0.821 5.170 4.350 -0.002 0.000 0.288 118 T C 0.022 174.724 174.700 0.003 0.000 1.021 118 T CA 0.573 62.628 62.100 -0.074 0.000 1.000 118 T CB 1.537 70.316 68.868 -0.149 0.000 1.034 118 T HN 1.616 9.856 8.240 -0.000 0.000 0.467 119 A N 4.395 127.245 122.820 0.049 0.000 2.365 119 A HA 0.766 5.085 4.320 -0.002 0.000 0.318 119 A C -0.318 177.338 177.584 0.121 0.000 1.091 119 A CA -0.752 51.350 52.037 0.109 0.000 0.763 119 A CB 0.793 19.863 19.000 0.118 0.000 1.248 119 A HN 0.890 9.040 8.150 -0.000 0.000 0.442 120 L N 1.505 122.813 121.223 0.141 0.000 2.467 120 L HA 0.314 4.653 4.340 -0.002 0.000 0.270 120 L C -0.435 176.612 176.870 0.295 0.000 1.205 120 L CA -0.135 54.779 54.840 0.124 0.000 0.828 120 L CB 0.841 42.909 42.059 0.015 0.000 1.101 120 L HN 0.429 8.659 8.230 -0.000 0.000 0.479 121 V N 1.677 121.745 119.914 0.257 0.000 2.656 121 V HA 0.338 4.457 4.120 -0.002 0.000 0.307 121 V C -0.275 176.028 176.094 0.348 0.000 1.051 121 V CA -0.424 62.038 62.300 0.270 0.000 0.893 121 V CB 1.915 33.858 31.823 0.200 0.000 0.999 121 V HN 0.749 8.939 8.190 -0.000 0.000 0.426 122 S N 5.590 121.404 115.700 0.189 0.000 2.745 122 S HA 0.669 5.138 4.470 -0.002 0.000 0.283 122 S C -0.528 174.121 174.600 0.082 0.000 1.170 122 S CA -0.789 57.506 58.200 0.159 0.000 1.119 122 S CB 0.203 63.350 63.200 -0.087 0.000 1.035 122 S HN 0.906 9.216 8.310 -0.000 0.000 0.483 123 R N 1.271 121.856 120.500 0.142 0.000 2.817 123 R HA 0.673 5.012 4.340 -0.002 0.000 0.268 123 R C -0.137 176.269 176.300 0.177 0.000 1.027 123 R CA -0.759 55.416 56.100 0.125 0.000 0.928 123 R CB 0.688 30.994 30.300 0.010 0.000 1.228 123 R HN 0.396 8.666 8.270 -0.000 0.000 0.469 124 T N -3.377 111.266 114.554 0.148 0.000 3.016 124 T HA 0.060 4.409 4.350 -0.002 0.000 0.271 124 T C 1.071 175.893 174.700 0.203 0.000 0.968 124 T CA 0.426 62.568 62.100 0.071 0.000 0.891 124 T CB -0.408 68.401 68.868 -0.098 0.000 1.149 124 T HN 0.878 9.118 8.240 -0.000 0.000 0.524 125 H N 0.398 119.553 119.070 0.141 0.000 2.497 125 H HA 0.584 5.139 4.556 -0.002 0.000 0.282 125 H C 0.633 176.009 175.328 0.082 0.000 1.003 125 H CA -0.234 55.867 56.048 0.087 0.000 1.307 125 H CB 0.194 29.966 29.762 0.017 0.000 1.437 125 H HN 0.304 8.584 8.280 -0.000 0.000 0.544 126 L N 0.511 121.444 121.223 -0.483 0.000 2.350 126 L HA 0.418 4.757 4.340 -0.002 0.000 0.260 126 L C -1.144 175.439 176.870 -0.478 0.000 1.015 126 L CA -1.186 53.416 54.840 -0.396 0.000 0.821 126 L CB 2.773 44.550 42.059 -0.471 0.000 1.370 126 L HN 0.232 8.462 8.230 -0.000 0.000 0.416 127 Q N 1.639 121.122 119.800 -0.528 0.000 2.309 127 Q HA 0.486 4.825 4.340 -0.002 0.000 0.264 127 Q C -2.403 173.209 176.000 -0.646 0.000 1.008 127 Q CA -1.587 53.766 55.803 -0.751 0.000 0.853 127 Q CB 2.211 30.539 28.738 -0.684 0.000 1.314 127 Q HN 0.316 8.586 8.270 -0.000 0.000 0.448 128 P HA 0.042 4.462 4.420 -0.000 0.000 0.275 128 P C -0.661 176.372 177.300 -0.445 0.000 1.228 128 P CA 0.156 62.825 63.100 -0.720 0.000 0.786 128 P CB 0.449 31.627 31.700 -0.869 0.000 0.927 129 Y N 0.549 120.809 120.300 -0.066 0.000 2.224 129 Y HA -0.064 4.485 4.550 -0.002 0.000 0.289 129 Y C 1.160 177.160 175.900 0.167 0.000 1.146 129 Y CA 0.584 58.694 58.100 0.015 0.000 1.182 129 Y CB -0.178 38.305 38.460 0.037 0.000 0.983 129 Y HN 0.256 8.536 8.280 -0.000 0.000 0.524 130 F N 1.204 121.261 119.950 0.179 0.000 2.361 130 F HA 0.295 4.821 4.527 -0.001 0.000 0.364 130 F C -0.441 175.577 175.800 0.363 0.000 1.117 130 F CA -1.590 56.530 58.000 0.200 0.000 1.071 130 F CB 0.236 39.292 39.000 0.094 0.000 1.188 130 F HN 0.058 8.358 8.300 -0.000 0.000 0.464 131 W N 5.389 126.470 121.300 -0.365 0.000 3.440 131 W HA 0.311 4.970 4.660 -0.002 0.000 0.407 131 W C -1.328 175.034 176.519 -0.262 0.000 1.078 131 W CA -0.735 56.416 57.345 -0.322 0.000 1.240 131 W CB 1.668 31.064 29.460 -0.105 0.000 1.485 131 W HN 0.473 8.653 8.180 -0.000 0.000 0.633 132 N N 0.407 119.008 118.700 -0.165 0.000 2.853 132 N HA 0.425 5.164 4.740 -0.002 0.000 0.258 132 N C -1.958 173.600 175.510 0.079 0.000 1.444 132 N CA -0.420 52.567 53.050 -0.104 0.000 0.837 132 N CB 2.181 40.515 38.487 -0.255 0.000 1.489 132 N HN 0.397 8.777 8.380 -0.000 0.000 0.529 133 H N -2.145 116.914 119.070 -0.018 0.000 3.012 133 H HA 0.546 5.101 4.556 -0.002 0.000 0.367 133 H C -2.844 172.490 175.328 0.010 0.000 1.211 133 H CA -1.645 54.428 56.048 0.042 0.000 1.139 133 H CB 2.397 32.244 29.762 0.143 0.000 1.838 133 H HN 0.461 8.741 8.280 -0.000 0.000 0.550 134 P HA -0.074 4.346 4.420 -0.000 0.000 0.257 134 P C 0.594 177.874 177.300 -0.033 0.000 1.189 134 P CA 0.439 63.403 63.100 -0.228 0.000 0.780 134 P CB 0.515 32.037 31.700 -0.296 0.000 0.772 135 Q N 3.617 123.416 119.800 -0.002 0.000 2.344 135 Q HA -0.251 4.089 4.340 -0.002 0.000 0.212 135 Q C 1.200 177.232 176.000 0.053 0.000 0.991 135 Q CA 2.688 58.517 55.803 0.045 0.000 0.897 135 Q CB -0.460 28.287 28.738 0.015 0.000 0.915 135 Q HN 0.510 8.780 8.270 -0.000 0.000 0.438 136 T N -2.718 111.855 114.554 0.031 0.000 3.055 136 T HA -0.027 4.322 4.350 -0.002 0.000 0.265 136 T C 0.740 175.467 174.700 0.044 0.000 1.111 136 T CA 0.647 62.764 62.100 0.027 0.000 1.118 136 T CB 0.042 68.914 68.868 0.005 0.000 0.909 136 T HN 0.312 8.552 8.240 -0.000 0.000 0.501 137 E N 1.647 121.911 120.200 0.107 0.000 2.070 137 E HA 0.424 4.773 4.350 -0.002 0.000 0.261 137 E C -1.207 175.462 176.600 0.114 0.000 0.926 137 E CA -0.635 55.827 56.400 0.103 0.000 0.760 137 E CB 0.992 30.840 29.700 0.247 0.000 1.133 137 E HN 0.138 8.498 8.360 -0.000 0.000 0.420 138 V N 5.981 125.878 119.914 -0.030 0.000 2.427 138 V HA 0.225 4.344 4.120 -0.002 0.000 0.268 138 V C -0.217 175.800 176.094 -0.128 0.000 1.046 138 V CA 0.158 62.465 62.300 0.013 0.000 0.970 138 V CB -0.356 31.495 31.823 0.045 0.000 1.001 138 V HN 0.550 8.740 8.190 -0.000 0.000 0.476 139 F N 1.838 121.847 119.950 0.100 0.000 2.538 139 F HA 0.409 4.935 4.527 -0.002 0.000 0.325 139 F C 1.271 177.160 175.800 0.148 0.000 1.066 139 F CA -0.671 57.374 58.000 0.074 0.000 0.946 139 F CB 1.748 40.745 39.000 -0.005 0.000 1.199 139 F HN 0.375 8.675 8.300 -0.000 0.000 0.473 140 D N 0.540 121.142 120.400 0.337 0.000 2.182 140 D HA -0.167 4.472 4.640 -0.002 0.000 0.201 140 D C 1.357 177.851 176.300 0.323 0.000 0.986 140 D CA 1.474 55.619 54.000 0.242 0.000 0.847 140 D CB -0.263 40.684 40.800 0.245 0.000 0.942 140 D HN 0.547 8.917 8.370 -0.000 0.000 0.467 141 D N -0.336 120.237 120.400 0.288 0.000 2.332 141 D HA -0.084 4.555 4.640 -0.002 0.000 0.244 141 D C 0.872 177.240 176.300 0.114 0.000 1.136 141 D CA 0.268 54.385 54.000 0.195 0.000 0.884 141 D CB -0.540 40.372 40.800 0.187 0.000 0.906 141 D HN 0.209 8.579 8.370 -0.000 0.000 0.520 142 Q N -1.094 118.815 119.800 0.182 0.000 2.219 142 Q HA 0.145 4.484 4.340 -0.002 0.000 0.209 142 Q C -0.689 175.283 176.000 -0.047 0.000 0.854 142 Q CA -0.252 55.618 55.803 0.112 0.000 0.960 142 Q CB 0.443 29.254 28.738 0.122 0.000 1.116 142 Q HN 0.315 8.585 8.270 -0.000 0.000 0.500 143 Y N -0.507 119.725 120.300 -0.112 0.000 2.361 143 Y HA 0.427 4.976 4.550 -0.002 0.000 0.332 143 Y C -0.325 175.381 175.900 -0.322 0.000 1.101 143 Y CA -0.736 57.302 58.100 -0.104 0.000 1.137 143 Y CB 0.853 39.213 38.460 -0.168 0.000 1.207 143 Y HN -0.114 8.166 8.280 -0.000 0.000 0.463 144 F N -0.076 119.730 119.950 -0.241 0.000 2.603 144 F HA 0.633 5.159 4.527 -0.001 0.000 0.317 144 F C 0.059 175.046 175.800 -1.354 0.000 1.066 144 F CA -0.935 56.731 58.000 -0.556 0.000 0.941 144 F CB 2.307 40.937 39.000 -0.617 0.000 1.291 144 F HN 0.240 8.540 8.300 -0.000 0.000 0.472 145 T N 0.954 114.912 114.554 -0.993 0.000 2.906 145 T HA 0.598 4.947 4.350 -0.002 0.000 0.295 145 T C -1.278 173.030 174.700 -0.653 0.000 1.075 145 T CA -0.545 60.850 62.100 -1.175 0.000 1.005 145 T CB 0.625 68.575 68.868 -1.530 0.000 1.136 145 T HN 0.318 8.558 8.240 -0.000 0.000 0.498 146 F N 3.057 122.780 119.950 -0.379 0.000 2.438 146 F HA 0.437 4.963 4.527 -0.001 0.000 0.356 146 F C 0.628 176.112 175.800 -0.526 0.000 1.099 146 F CA -0.647 57.008 58.000 -0.575 0.000 1.185 146 F CB 0.821 39.170 39.000 -1.085 0.000 1.115 146 F HN 0.188 8.488 8.300 -0.000 0.000 0.526 147 L N 6.536 127.689 121.223 -0.118 0.000 2.504 147 L HA 0.375 4.714 4.340 -0.002 0.000 0.249 147 L C -0.542 176.376 176.870 0.080 0.000 1.120 147 L CA -0.513 54.311 54.840 -0.026 0.000 0.997 147 L CB -0.298 41.768 42.059 0.012 0.000 1.349 147 L HN 0.495 8.725 8.230 -0.000 0.000 0.439 148 F N 1.484 121.589 119.950 0.260 0.000 2.657 148 F HA -0.107 4.420 4.527 -0.001 0.000 0.347 148 F C 1.441 177.430 175.800 0.314 0.000 1.180 148 F CA -0.023 58.178 58.000 0.335 0.000 1.383 148 F CB 0.466 39.691 39.000 0.374 0.000 1.077 148 F HN 0.472 8.772 8.300 -0.000 0.000 0.622 149 E N 0.443 121.015 120.200 0.621 0.000 2.392 149 E HA 0.021 4.370 4.350 -0.002 0.000 0.256 149 E C -0.901 175.913 176.600 0.356 0.000 1.145 149 E CA -0.934 55.768 56.400 0.504 0.000 0.929 149 E CB 0.450 30.436 29.700 0.477 0.000 0.998 149 E HN 0.411 8.771 8.360 -0.000 0.000 0.442 150 D N 1.199 121.759 120.400 0.267 0.000 2.412 150 D HA 0.055 4.694 4.640 -0.002 0.000 0.257 150 D C -1.050 175.323 176.300 0.122 0.000 1.217 150 D CA 0.139 54.246 54.000 0.180 0.000 0.897 150 D CB 0.352 41.234 40.800 0.135 0.000 1.132 150 D HN 0.303 8.673 8.370 -0.000 0.000 0.493 151 M N 2.393 122.053 119.600 0.100 0.000 2.508 151 M HA 0.319 4.798 4.480 -0.002 0.000 0.327 151 M C -0.512 175.785 176.300 -0.005 0.000 1.160 151 M CA -0.694 54.608 55.300 0.003 0.000 0.980 151 M CB 1.919 34.470 32.600 -0.081 0.000 1.693 151 M HN 0.303 8.593 8.290 -0.000 0.000 0.452 152 S N 3.943 119.622 115.700 -0.035 0.000 2.454 152 S HA 0.666 5.135 4.470 -0.002 0.000 0.306 152 S C -0.535 174.030 174.600 -0.058 0.000 1.100 152 S CA -0.816 57.371 58.200 -0.022 0.000 1.087 152 S CB 0.404 63.601 63.200 -0.005 0.000 1.019 152 S HN 0.655 8.965 8.310 -0.000 0.000 0.480 153 I N 4.163 124.695 120.570 -0.063 0.000 2.278 153 I HA 0.159 4.328 4.170 -0.002 0.000 0.296 153 I C 0.343 176.438 176.117 -0.038 0.000 1.121 153 I CA -0.379 60.850 61.300 -0.118 0.000 1.267 153 I CB 0.446 38.282 38.000 -0.273 0.000 1.447 153 I HN 0.741 8.951 8.210 -0.000 0.000 0.509 154 D N 4.990 125.380 120.400 -0.017 0.000 2.194 154 D HA -0.015 4.624 4.640 -0.002 0.000 0.204 154 D C 0.747 177.062 176.300 0.026 0.000 0.964 154 D CA 1.171 55.177 54.000 0.010 0.000 0.846 154 D CB 0.454 41.258 40.800 0.006 0.000 0.962 154 D HN 0.447 8.817 8.370 -0.000 0.000 0.490 155 K N -0.028 120.407 120.400 0.057 0.000 2.572 155 K HA 0.284 4.603 4.320 -0.002 0.000 0.263 155 K C -2.056 174.624 176.600 0.133 0.000 0.932 155 K CA -0.558 55.774 56.287 0.076 0.000 0.838 155 K CB 1.935 34.439 32.500 0.007 0.000 1.366 155 K HN -0.282 7.968 8.250 -0.000 0.000 0.425 156 I N 3.106 123.720 120.570 0.073 0.000 2.418 156 I HA 0.317 4.486 4.170 -0.002 0.000 0.287 156 I C -0.801 175.306 176.117 -0.018 0.000 1.008 156 I CA -0.385 60.913 61.300 -0.002 0.000 1.104 156 I CB 1.672 39.589 38.000 -0.138 0.000 1.264 156 I HN 0.700 8.910 8.210 -0.000 0.000 0.438 157 E N 5.912 126.152 120.200 0.067 0.000 2.182 157 E HA 0.358 4.707 4.350 -0.002 0.000 0.258 157 E C -1.382 175.277 176.600 0.098 0.000 0.879 157 E CA -0.576 55.888 56.400 0.107 0.000 0.754 157 E CB 1.668 31.497 29.700 0.215 0.000 1.162 157 E HN 0.312 8.672 8.360 -0.000 0.000 0.419 158 Y N 1.045 121.455 120.300 0.184 0.000 2.304 158 Y HA 0.066 4.615 4.550 -0.001 0.000 0.327 158 Y C 0.912 176.887 175.900 0.124 0.000 1.209 158 Y CA -0.476 57.730 58.100 0.176 0.000 1.299 158 Y CB 0.603 39.108 38.460 0.074 0.000 1.249 158 Y HN 0.433 8.713 8.280 -0.000 0.000 0.519 159 D N 2.815 123.377 120.400 0.270 0.000 2.767 159 D HA 0.123 4.762 4.640 -0.002 0.000 0.241 159 D C 0.676 177.044 176.300 0.113 0.000 1.187 159 D CA 0.134 54.226 54.000 0.153 0.000 0.999 159 D CB -0.343 40.519 40.800 0.103 0.000 1.042 159 D HN 0.621 8.991 8.370 -0.000 0.000 0.510 160 L N 1.339 122.639 121.223 0.128 0.000 2.103 160 L HA -0.292 4.047 4.340 -0.002 0.000 0.215 160 L C 2.527 179.454 176.870 0.094 0.000 1.080 160 L CA 1.728 56.624 54.840 0.093 0.000 0.764 160 L CB -0.708 41.427 42.059 0.126 0.000 0.890 160 L HN 0.399 8.629 8.230 -0.000 0.000 0.435 161 K N -0.699 119.754 120.400 0.089 0.000 2.281 161 K HA -0.185 4.134 4.320 -0.002 0.000 0.203 161 K C 0.752 177.393 176.600 0.070 0.000 1.046 161 K CA 1.786 58.127 56.287 0.090 0.000 0.938 161 K CB -0.204 32.337 32.500 0.067 0.000 0.737 161 K HN 0.299 8.549 8.250 -0.000 0.000 0.458 162 D N 1.379 121.792 120.400 0.020 0.000 2.368 162 D HA 0.097 4.736 4.640 -0.002 0.000 0.218 162 D C 0.468 176.693 176.300 -0.125 0.000 1.112 162 D CA 0.145 54.134 54.000 -0.019 0.000 0.834 162 D CB 0.403 41.196 40.800 -0.011 0.000 0.953 162 D HN 0.393 8.762 8.370 -0.000 0.000 0.505 163 G N 0.892 109.514 108.800 -0.295 0.000 2.630 163 G HA2 0.158 4.118 3.960 -0.002 0.000 0.236 163 G HA3 0.158 4.118 3.960 -0.002 0.000 0.236 163 G C 0.097 174.714 174.900 -0.472 0.000 1.248 163 G CA -0.218 44.305 45.100 -0.962 0.000 0.844 163 G HN 0.127 8.417 8.290 -0.000 0.000 0.588 164 R N 0.638 120.888 120.500 -0.415 0.000 2.584 164 R HA 0.368 4.707 4.340 -0.002 0.000 0.276 164 R C -0.988 175.333 176.300 0.034 0.000 1.046 164 R CA -0.827 55.251 56.100 -0.036 0.000 0.906 164 R CB 1.407 31.670 30.300 -0.061 0.000 1.215 164 R HN 0.452 8.722 8.270 -0.000 0.000 0.449 165 I N 6.420 126.991 120.570 0.002 0.000 2.304 165 I HA 0.128 4.297 4.170 -0.002 0.000 0.291 165 I C 1.058 177.155 176.117 -0.034 0.000 1.018 165 I CA -0.333 60.912 61.300 -0.092 0.000 1.260 165 I CB 1.531 39.342 38.000 -0.315 0.000 1.390 165 I HN 0.635 8.845 8.210 -0.000 0.000 0.475 166 L N 4.607 125.830 121.223 -0.001 0.000 2.307 166 L HA 0.079 4.418 4.340 -0.002 0.000 0.211 166 L C 0.890 177.777 176.870 0.029 0.000 1.099 166 L CA 0.490 55.334 54.840 0.007 0.000 0.816 166 L CB -0.236 41.821 42.059 -0.003 0.000 0.952 166 L HN 0.759 8.989 8.230 -0.000 0.000 0.455 167 S N -1.971 113.773 115.700 0.073 0.000 2.625 167 S HA 0.621 5.090 4.470 -0.002 0.000 0.271 167 S C -0.720 173.988 174.600 0.179 0.000 1.161 167 S CA -0.599 57.654 58.200 0.088 0.000 0.820 167 S CB 2.389 65.626 63.200 0.062 0.000 1.137 167 S HN -0.071 8.239 8.310 -0.000 0.000 0.470 168 S N 0.427 116.202 115.700 0.125 0.000 2.584 168 S HA 0.621 5.090 4.470 -0.002 0.000 0.282 168 S C -1.667 172.936 174.600 0.005 0.000 1.138 168 S CA -0.354 57.924 58.200 0.130 0.000 0.987 168 S CB 0.997 64.346 63.200 0.249 0.000 1.137 168 S HN 1.020 9.330 8.310 -0.000 0.000 0.457 169 T N 6.373 120.878 114.554 -0.082 0.000 2.916 169 T HA 0.612 4.962 4.350 -0.002 0.000 0.298 169 T C -3.033 171.571 174.700 -0.161 0.000 1.031 169 T CA -1.125 60.920 62.100 -0.092 0.000 0.993 169 T CB 2.060 70.885 68.868 -0.072 0.000 1.045 169 T HN 0.505 8.745 8.240 -0.000 0.000 0.454 170 P HA 0.227 4.647 4.420 -0.000 0.000 0.275 170 P C -0.943 176.261 177.300 -0.160 0.000 1.227 170 P CA -0.429 62.567 63.100 -0.173 0.000 0.781 170 P CB 0.754 32.377 31.700 -0.127 0.000 0.906 171 N N 0.959 119.543 118.700 -0.193 0.000 2.399 171 N HA 0.241 4.980 4.740 -0.002 0.000 0.284 171 N C -1.116 174.301 175.510 -0.154 0.000 1.025 171 N CA -0.785 52.171 53.050 -0.157 0.000 0.885 171 N CB 2.373 40.763 38.487 -0.162 0.000 1.339 171 N HN 0.175 8.555 8.380 -0.000 0.000 0.487 172 V N 5.391 125.238 119.914 -0.111 0.000 2.389 172 V HA 0.180 4.299 4.120 -0.002 0.000 0.264 172 V C 0.975 177.023 176.094 -0.077 0.000 1.049 172 V CA -0.001 62.241 62.300 -0.097 0.000 0.932 172 V CB 0.117 31.898 31.823 -0.071 0.000 1.011 172 V HN 0.672 8.862 8.190 -0.000 0.000 0.475 173 L N 6.129 127.302 121.223 -0.084 0.000 2.007 173 L HA 0.222 4.561 4.340 -0.002 0.000 0.205 173 L C 1.327 178.192 176.870 -0.008 0.000 1.073 173 L CA 1.488 56.300 54.840 -0.046 0.000 0.744 173 L CB -0.305 41.721 42.059 -0.055 0.000 0.898 173 L HN 0.734 8.964 8.230 -0.000 0.000 0.435 174 A N -1.037 121.786 122.820 0.006 0.000 2.431 174 A HA 0.462 4.781 4.320 -0.002 0.000 0.318 174 A C 0.465 178.053 177.584 0.006 0.000 1.330 174 A CA -0.465 51.585 52.037 0.022 0.000 0.804 174 A CB 0.703 19.735 19.000 0.054 0.000 1.135 174 A HN 0.152 8.302 8.150 -0.000 0.000 0.483 175 T N 0.841 115.392 114.554 -0.005 0.000 2.739 175 T HA -0.012 4.337 4.350 -0.002 0.000 0.249 175 T C 0.855 175.551 174.700 -0.006 0.000 1.050 175 T CA 0.636 62.728 62.100 -0.014 0.000 1.165 175 T CB -0.206 68.653 68.868 -0.016 0.000 0.872 175 T HN 0.648 8.888 8.240 -0.000 0.000 0.411 176 Q N 2.102 121.905 119.800 0.006 0.000 2.304 176 Q HA 0.121 4.460 4.340 -0.002 0.000 0.315 176 Q C -0.742 175.277 176.000 0.031 0.000 1.075 176 Q CA 1.039 56.853 55.803 0.018 0.000 0.988 176 Q CB 0.078 28.830 28.738 0.023 0.000 1.146 176 Q HN 0.358 8.628 8.270 -0.000 0.000 0.383 177 T N 3.395 117.975 114.554 0.043 0.000 3.888 177 T HA 0.218 4.567 4.350 -0.002 0.000 0.274 177 T C -0.125 174.647 174.700 0.119 0.000 0.639 177 T CA -0.435 61.716 62.100 0.085 0.000 1.047 177 T CB -0.113 68.734 68.868 -0.035 0.000 1.111 177 T HN 0.409 8.649 8.240 -0.000 0.000 0.497 178 L N 1.872 123.175 121.223 0.132 0.000 2.935 178 L HA 0.437 4.776 4.340 -0.002 0.000 0.243 178 L C 0.588 177.532 176.870 0.124 0.000 1.313 178 L CA -0.417 54.490 54.840 0.112 0.000 0.969 178 L CB 0.539 42.637 42.059 0.065 0.000 1.320 178 L HN 0.477 8.707 8.230 -0.000 0.000 0.511 179 E N 2.724 123.047 120.200 0.204 0.000 2.052 179 E HA 0.168 4.517 4.350 -0.002 0.000 0.283 179 E C -0.463 176.183 176.600 0.078 0.000 1.071 179 E CA 0.014 56.476 56.400 0.103 0.000 0.851 179 E CB 0.658 30.359 29.700 0.001 0.000 1.066 179 E HN 0.675 9.035 8.360 -0.000 0.000 0.396 180 N N 1.903 120.624 118.700 0.034 0.000 3.379 180 N HA 0.590 5.330 4.740 -0.002 0.000 0.350 180 N C -0.943 174.570 175.510 0.006 0.000 1.553 180 N CA -0.681 52.387 53.050 0.030 0.000 0.712 180 N CB 2.035 40.545 38.487 0.038 0.000 1.880 180 N HN 0.351 8.731 8.380 -0.000 0.000 0.648 181 T N -3.973 110.588 114.554 0.010 0.000 2.640 181 T HA 0.195 4.544 4.350 -0.002 0.000 0.279 181 T C -0.074 174.631 174.700 0.009 0.000 1.995 181 T CA -0.586 61.516 62.100 0.003 0.000 0.943 181 T CB 0.637 69.502 68.868 -0.004 0.000 2.141 181 T HN 0.369 8.609 8.240 -0.000 0.000 0.444 182 S N 0.109 115.813 115.700 0.006 0.000 2.339 182 S HA 0.585 5.054 4.470 -0.002 0.000 0.213 182 S C 0.777 175.383 174.600 0.010 0.000 1.033 182 S CA 0.798 59.003 58.200 0.008 0.000 0.950 182 S CB -0.018 63.186 63.200 0.006 0.000 0.893 182 S HN 1.011 9.321 8.310 -0.000 0.000 0.492 183 S N -0.993 114.712 115.700 0.007 0.000 2.636 183 S HA 0.288 4.757 4.470 -0.002 0.000 0.266 183 S C -1.691 172.912 174.600 0.005 0.000 1.147 183 S CA -0.504 57.701 58.200 0.008 0.000 0.815 183 S CB 0.574 63.779 63.200 0.008 0.000 1.119 183 S HN 0.154 8.464 8.310 -0.000 0.000 0.470 184 Q N 0.816 120.619 119.800 0.007 0.000 2.407 184 Q HA -0.164 4.175 4.340 -0.002 0.000 0.277 184 Q C 0.800 176.801 176.000 0.001 0.000 1.161 184 Q CA 1.522 57.328 55.803 0.005 0.000 0.924 184 Q CB -2.575 26.166 28.738 0.004 0.000 1.318 184 Q HN 0.797 9.067 8.270 -0.000 0.000 0.513 185 T N -0.560 113.994 114.554 0.000 0.000 5.270 185 T HA -0.014 4.335 4.350 -0.002 0.000 0.226 185 T C 1.454 176.150 174.700 -0.006 0.000 0.799 185 T CA 1.354 63.451 62.100 -0.006 0.000 2.020 185 T CB 0.023 68.884 68.868 -0.011 0.000 1.350 185 T HN 0.396 8.636 8.240 -0.000 0.000 0.268 186 Q N -1.292 118.502 119.800 -0.010 0.000 1.440 186 Q HA 0.096 4.435 4.340 -0.002 0.000 0.127 186 Q C -1.509 174.482 176.000 -0.015 0.000 0.640 186 Q CA 0.186 55.984 55.803 -0.008 0.000 0.587 186 Q CB 0.636 29.368 28.738 -0.009 0.000 1.015 186 Q HN 0.333 8.603 8.270 -0.000 0.000 0.329 187 E N 0.194 120.377 120.200 -0.029 0.000 2.321 187 E HA 0.542 4.891 4.350 -0.002 0.000 0.281 187 E C -1.147 175.400 176.600 -0.088 0.000 0.910 187 E CA -0.263 56.108 56.400 -0.048 0.000 0.770 187 E CB 1.716 31.387 29.700 -0.049 0.000 1.225 187 E HN 0.150 8.510 8.360 -0.000 0.000 0.417 188 M N 1.638 121.162 119.600 -0.127 0.000 2.210 188 M HA 0.219 4.698 4.480 -0.002 0.000 0.235 188 M C -0.503 175.558 176.300 -0.398 0.000 0.974 188 M CA -0.503 54.640 55.300 -0.261 0.000 1.043 188 M CB 1.342 33.814 32.600 -0.214 0.000 2.331 188 M HN 0.292 8.582 8.290 -0.000 0.000 0.452 189 S N 2.260 117.704 115.700 -0.426 0.000 2.565 189 S HA 0.896 5.365 4.470 -0.002 0.000 0.290 189 S C -1.127 173.074 174.600 -0.665 0.000 1.150 189 S CA -0.234 57.723 58.200 -0.405 0.000 1.058 189 S CB 0.883 63.951 63.200 -0.220 0.000 1.032 189 S HN 0.410 8.720 8.310 -0.000 0.000 0.510 190 F N 2.730 122.460 119.950 -0.366 0.000 2.522 190 F HA 0.528 5.054 4.527 -0.002 0.000 0.324 190 F C 0.487 175.924 175.800 -0.605 0.000 1.077 190 F CA -0.975 56.705 58.000 -0.533 0.000 0.944 190 F CB 1.715 40.208 39.000 -0.845 0.000 1.175 190 F HN 0.423 8.723 8.300 -0.000 0.000 0.468 191 N N 3.332 121.920 118.700 -0.186 0.000 2.399 191 N HA 0.330 5.069 4.740 -0.002 0.000 0.284 191 N C -1.689 173.774 175.510 -0.079 0.000 1.025 191 N CA -0.410 52.547 53.050 -0.155 0.000 0.885 191 N CB 2.684 41.120 38.487 -0.085 0.000 1.339 191 N HN 0.477 8.857 8.380 -0.000 0.000 0.487 192 L N 1.591 122.783 121.223 -0.052 0.000 2.296 192 L HA 0.512 4.851 4.340 -0.002 0.000 0.286 192 L C -0.543 176.381 176.870 0.090 0.000 1.023 192 L CA -0.122 54.753 54.840 0.058 0.000 0.812 192 L CB 1.444 43.602 42.059 0.167 0.000 1.223 192 L HN 0.457 8.687 8.230 -0.000 0.000 0.421 193 S N 4.522 120.276 115.700 0.089 0.000 2.511 193 S HA 0.454 4.923 4.470 -0.002 0.000 0.233 193 S C -1.183 173.474 174.600 0.095 0.000 1.104 193 S CA -0.551 57.704 58.200 0.092 0.000 1.129 193 S CB 0.586 63.820 63.200 0.057 0.000 1.159 193 S HN 0.688 8.998 8.310 -0.000 0.000 0.451 194 Q N 2.047 121.928 119.800 0.136 0.000 2.375 194 Q HA 0.527 4.866 4.340 -0.002 0.000 0.271 194 Q C -0.943 175.148 176.000 0.152 0.000 1.074 194 Q CA -0.518 55.360 55.803 0.125 0.000 0.808 194 Q CB 2.240 31.049 28.738 0.118 0.000 1.327 194 Q HN 0.571 8.841 8.270 -0.000 0.000 0.441 195 T N 2.359 116.974 114.554 0.102 0.000 2.807 195 T HA 0.677 5.026 4.350 -0.002 0.000 0.279 195 T C -0.181 174.562 174.700 0.071 0.000 0.993 195 T CA -0.485 61.666 62.100 0.086 0.000 0.970 195 T CB 0.803 69.702 68.868 0.051 0.000 0.950 195 T HN 0.275 8.515 8.240 -0.000 0.000 0.441 196 L N 2.330 123.595 121.223 0.070 0.000 2.362 196 L HA 0.458 4.797 4.340 -0.002 0.000 0.275 196 L C 0.318 177.166 176.870 -0.038 0.000 0.998 196 L CA -0.918 53.942 54.840 0.032 0.000 0.820 196 L CB 1.982 44.086 42.059 0.074 0.000 1.270 196 L HN 0.561 8.791 8.230 -0.000 0.000 0.415 197 T N 3.219 117.741 114.554 -0.053 0.000 2.752 197 T HA 0.202 4.551 4.350 -0.002 0.000 0.295 197 T C 0.072 174.665 174.700 -0.179 0.000 0.923 197 T CA -0.511 61.528 62.100 -0.101 0.000 1.112 197 T CB 0.445 69.286 68.868 -0.046 0.000 0.884 197 T HN 0.370 8.610 8.240 -0.000 0.000 0.525 198 Q N 1.869 121.420 119.800 -0.415 0.000 2.166 198 Q HA 0.565 4.904 4.340 -0.002 0.000 0.226 198 Q C 0.093 175.891 176.000 -0.338 0.000 0.989 198 Q CA -0.577 54.915 55.803 -0.518 0.000 0.966 198 Q CB 1.137 29.198 28.738 -1.130 0.000 1.173 198 Q HN 0.477 8.747 8.270 -0.000 0.000 0.509 199 T N 0.277 114.768 114.554 -0.104 0.000 2.907 199 T HA 0.534 4.883 4.350 -0.002 0.000 0.292 199 T C -1.111 173.707 174.700 0.197 0.000 1.043 199 T CA -0.483 61.653 62.100 0.060 0.000 1.003 199 T CB 1.498 70.349 68.868 -0.029 0.000 1.084 199 T HN 0.475 8.715 8.240 -0.000 0.000 0.483 200 S N 1.305 117.068 115.700 0.105 0.000 2.566 200 S HA 0.700 5.169 4.470 -0.002 0.000 0.273 200 S C -1.543 172.913 174.600 -0.241 0.000 1.157 200 S CA -0.437 57.708 58.200 -0.093 0.000 0.938 200 S CB 1.303 64.421 63.200 -0.137 0.000 1.087 200 S HN 0.682 8.992 8.310 -0.000 0.000 0.474 201 T N 4.496 118.692 114.554 -0.596 0.000 3.071 201 T HA 0.455 4.804 4.350 -0.002 0.000 0.311 201 T C -1.585 172.848 174.700 -0.444 0.000 1.042 201 T CA -0.319 61.569 62.100 -0.352 0.000 1.028 201 T CB 0.551 69.236 68.868 -0.305 0.000 1.068 201 T HN 0.443 8.683 8.240 -0.000 0.000 0.451 202 F N 2.533 122.386 119.950 -0.162 0.000 2.308 202 F HA 0.640 5.166 4.527 -0.001 0.000 0.370 202 F C 0.697 176.260 175.800 -0.395 0.000 1.100 202 F CA -0.765 57.195 58.000 -0.066 0.000 1.108 202 F CB 0.871 39.841 39.000 -0.050 0.000 1.293 202 F HN 0.671 8.971 8.300 -0.000 0.000 0.478 203 A N 3.621 126.413 122.820 -0.047 0.000 2.301 203 A HA 0.391 4.710 4.320 -0.002 0.000 0.312 203 A C -1.053 176.510 177.584 -0.036 0.000 1.182 203 A CA -0.557 51.401 52.037 -0.132 0.000 0.826 203 A CB 0.147 19.103 19.000 -0.073 0.000 1.134 203 A HN 0.652 8.802 8.150 -0.000 0.000 0.501 204 Y N 2.178 122.461 120.300 -0.029 0.000 2.610 204 Y HA 0.219 4.768 4.550 -0.002 0.000 0.332 204 Y C 1.069 177.015 175.900 0.076 0.000 1.201 204 Y CA 1.726 59.965 58.100 0.233 0.000 1.465 204 Y CB 0.827 39.487 38.460 0.333 0.000 1.283 204 Y HN 0.690 8.970 8.280 -0.000 0.000 0.563 205 T N 3.868 117.962 114.554 -0.767 0.000 3.176 205 T HA 0.588 4.937 4.350 -0.002 0.000 0.259 205 T C -0.370 173.833 174.700 -0.828 0.000 0.978 205 T CA 0.417 62.165 62.100 -0.588 0.000 1.050 205 T CB 0.229 68.870 68.868 -0.378 0.000 1.136 205 T HN 0.747 8.987 8.240 -0.000 0.000 0.465 206 A N -0.486 121.675 122.820 -1.099 0.000 2.540 206 A HA 0.718 5.037 4.320 -0.002 0.000 0.291 206 A C 0.148 177.550 177.584 -0.303 0.000 1.083 206 A CA -0.001 51.686 52.037 -0.582 0.000 0.650 206 A CB 0.413 19.283 19.000 -0.216 0.000 1.292 206 A HN 1.219 9.369 8.150 -0.000 0.000 0.435 207 G N -1.053 107.787 108.800 0.068 0.000 2.584 207 G HA2 0.283 4.242 3.960 -0.002 0.000 0.229 207 G HA3 0.283 4.242 3.960 -0.002 0.000 0.229 207 G C -0.072 174.827 174.900 -0.002 0.000 1.320 207 G CA 0.108 45.283 45.100 0.126 0.000 0.891 207 G HN 2.200 10.490 8.290 -0.000 0.000 0.573 208 F N 2.292 122.016 119.950 -0.378 0.000 2.629 208 F HA 0.426 4.953 4.527 -0.000 0.000 0.377 208 F C 1.741 177.206 175.800 -0.559 0.000 1.101 208 F CA 0.800 58.253 58.000 -0.911 0.000 1.301 208 F CB 0.565 39.222 39.000 -0.571 0.000 1.062 208 F HN 0.868 9.168 8.300 -0.000 0.000 0.583 209 T N 6.640 120.226 114.554 -1.614 0.000 3.176 209 T HA 0.396 4.745 4.350 -0.002 0.000 0.301 209 T C 0.379 174.411 174.700 -1.115 0.000 1.115 209 T CA -0.617 60.831 62.100 -1.087 0.000 1.027 209 T CB -0.983 67.473 68.868 -0.686 0.000 1.063 209 T HN 0.485 8.725 8.240 -0.000 0.000 0.669 210 I N 2.621 122.709 120.570 -0.804 0.000 2.710 210 I HA 0.236 4.405 4.170 -0.002 0.000 0.286 210 I C 1.278 177.187 176.117 -0.346 0.000 1.181 210 I CA -0.464 60.452 61.300 -0.639 0.000 1.430 210 I CB 0.266 37.502 38.000 -1.274 0.000 1.367 210 I HN 0.677 8.887 8.210 -0.000 0.000 0.577 211 A N 6.770 129.526 122.820 -0.107 0.000 2.520 211 A HA 0.249 4.568 4.320 -0.002 0.000 0.245 211 A C 0.117 177.834 177.584 0.222 0.000 1.072 211 A CA -0.392 51.686 52.037 0.068 0.000 0.761 211 A CB 0.006 19.075 19.000 0.116 0.000 1.004 211 A HN 0.511 8.661 8.150 -0.000 0.000 0.499 212 V N 2.983 123.063 119.914 0.277 0.000 2.599 212 V HA 0.397 4.516 4.120 -0.002 0.000 0.300 212 V C 1.645 177.916 176.094 0.294 0.000 1.034 212 V CA 1.753 64.271 62.300 0.364 0.000 1.115 212 V CB 0.090 32.054 31.823 0.236 0.000 0.934 212 V HN 1.892 10.082 8.190 -0.000 0.000 0.485 213 G N 3.703 112.710 108.800 0.345 0.000 2.254 213 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.225 213 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.225 213 G C 0.407 175.489 174.900 0.304 0.000 1.003 213 G CA -0.033 45.232 45.100 0.276 0.000 0.622 213 G HN 0.767 9.057 8.290 -0.000 0.000 0.507 214 T N 2.325 117.082 114.554 0.338 0.000 2.765 214 T HA 0.396 4.745 4.350 -0.002 0.000 0.275 214 T C 0.797 175.745 174.700 0.413 0.000 1.007 214 T CA 0.857 63.142 62.100 0.308 0.000 1.175 214 T CB 0.950 69.959 68.868 0.234 0.000 0.993 214 T HN 1.465 9.705 8.240 -0.000 0.000 0.510 215 A N 4.110 127.111 122.820 0.301 0.000 2.331 215 A HA 0.746 5.065 4.320 -0.002 0.000 0.283 215 A C -0.185 177.601 177.584 0.337 0.000 1.142 215 A CA -0.680 51.511 52.037 0.257 0.000 0.812 215 A CB -0.061 19.017 19.000 0.130 0.000 1.074 215 A HN 0.872 9.022 8.150 -0.000 0.000 0.497 216 F N -0.344 119.656 119.950 0.083 0.000 2.817 216 F HA 0.746 5.272 4.527 -0.001 0.000 0.317 216 F C -1.102 174.708 175.800 0.016 0.000 1.168 216 F CA -1.186 56.841 58.000 0.044 0.000 0.911 216 F CB 1.276 40.303 39.000 0.045 0.000 1.337 216 F HN 0.421 8.721 8.300 -0.000 0.000 0.464 217 K N 1.288 121.714 120.400 0.044 0.000 2.371 217 K HA 0.922 5.241 4.320 -0.002 0.000 0.251 217 K C -1.426 175.294 176.600 0.200 0.000 0.934 217 K CA -1.092 55.135 56.287 -0.101 0.000 0.798 217 K CB 2.352 34.780 32.500 -0.120 0.000 1.204 217 K HN 1.080 9.330 8.250 -0.000 0.000 0.427 218 A N 0.871 123.862 122.820 0.286 0.000 2.597 218 A HA 0.647 4.966 4.320 -0.002 0.000 0.292 218 A C -0.711 177.124 177.584 0.419 0.000 1.057 218 A CA -0.593 51.670 52.037 0.377 0.000 0.674 218 A CB 1.095 20.374 19.000 0.465 0.000 1.278 218 A HN 0.723 8.873 8.150 -0.000 0.000 0.416 219 G N -0.670 108.301 108.800 0.285 0.000 2.569 219 G HA2 0.534 4.493 3.960 -0.002 0.000 0.249 219 G HA3 0.534 4.493 3.960 -0.002 0.000 0.249 219 G C -0.501 174.489 174.900 0.150 0.000 1.216 219 G CA 0.024 45.234 45.100 0.183 0.000 0.845 219 G HN 1.346 9.636 8.290 -0.000 0.000 0.568 220 V N 2.358 122.195 119.914 -0.128 0.000 2.864 220 V HA 0.500 4.619 4.120 -0.002 0.000 0.314 220 V C -2.051 173.564 176.094 -0.799 0.000 1.073 220 V CA -1.768 60.180 62.300 -0.587 0.000 0.956 220 V CB 2.741 34.255 31.823 -0.516 0.000 1.023 220 V HN 0.586 8.776 8.190 -0.000 0.000 0.435 221 P HA 0.281 4.701 4.420 -0.000 0.000 0.269 221 P C -1.174 175.950 177.300 -0.294 0.000 1.215 221 P CA 0.117 62.691 63.100 -0.875 0.000 0.780 221 P CB 0.375 31.492 31.700 -0.972 0.000 0.898 222 I N 1.678 122.229 120.570 -0.032 0.000 2.752 222 I HA 0.279 4.448 4.170 -0.002 0.000 0.295 222 I C -1.058 175.107 176.117 0.079 0.000 1.219 222 I CA -0.676 60.688 61.300 0.105 0.000 1.030 222 I CB 1.757 39.792 38.000 0.059 0.000 1.259 222 I HN 0.247 8.457 8.210 -0.000 0.000 0.423 223 F N 4.979 124.822 119.950 -0.177 0.000 2.405 223 F HA 0.631 5.157 4.527 -0.002 0.000 0.355 223 F C 0.737 176.368 175.800 -0.282 0.000 1.121 223 F CA -0.225 57.408 58.000 -0.613 0.000 1.112 223 F CB 1.555 39.886 39.000 -1.115 0.000 1.126 223 F HN 0.634 8.934 8.300 -0.000 0.000 0.481 224 A N 4.471 126.750 122.820 -0.902 0.000 1.909 224 A HA 0.129 4.448 4.320 -0.002 0.000 0.215 224 A C 1.144 178.363 177.584 -0.608 0.000 1.392 224 A CA 1.537 53.243 52.037 -0.552 0.000 0.599 224 A CB -0.285 18.459 19.000 -0.426 0.000 1.029 224 A HN 0.825 8.975 8.150 -0.000 0.000 0.480 225 E N -3.357 116.380 120.200 -0.771 0.000 2.624 225 E HA 0.059 4.408 4.350 -0.002 0.000 0.192 225 E C 0.503 176.861 176.600 -0.402 0.000 0.961 225 E CA 0.799 56.952 56.400 -0.412 0.000 1.632 225 E CB 0.872 30.472 29.700 -0.167 0.000 2.082 225 E HN 0.631 8.991 8.360 -0.000 0.000 1.040 226 T N -1.598 112.642 114.554 -0.525 0.000 3.186 226 T HA 0.317 4.666 4.350 -0.002 0.000 0.292 226 T C 0.035 174.585 174.700 -0.249 0.000 0.915 226 T CA -0.339 61.620 62.100 -0.235 0.000 0.902 226 T CB 0.573 69.381 68.868 -0.100 0.000 1.192 226 T HN -0.072 8.168 8.240 -0.000 0.000 0.563 227 E N -0.039 119.835 120.200 -0.543 0.000 2.454 227 E HA 0.628 4.977 4.350 -0.002 0.000 0.279 227 E C -1.776 174.527 176.600 -0.495 0.000 1.029 227 E CA -1.037 55.197 56.400 -0.277 0.000 0.831 227 E CB 1.372 30.993 29.700 -0.132 0.000 1.405 227 E HN 0.083 8.443 8.360 -0.000 0.000 0.463 228 F N 0.887 120.776 119.950 -0.103 0.000 2.458 228 F HA 0.527 5.053 4.527 -0.002 0.000 0.330 228 F C 0.205 175.940 175.800 -0.108 0.000 1.082 228 F CA -0.330 57.625 58.000 -0.074 0.000 0.995 228 F CB 1.504 40.506 39.000 0.003 0.000 1.170 228 F HN 0.085 8.385 8.300 -0.000 0.000 0.478 229 K N 0.823 121.246 120.400 0.038 0.000 2.509 229 K HA 0.650 4.969 4.320 -0.002 0.000 0.266 229 K C -1.747 174.807 176.600 -0.076 0.000 0.987 229 K CA -1.086 55.188 56.287 -0.021 0.000 0.868 229 K CB 2.655 35.124 32.500 -0.051 0.000 1.421 229 K HN 0.214 8.464 8.250 -0.000 0.000 0.444 230 V N 1.547 121.413 119.914 -0.081 0.000 2.406 230 V HA 0.078 4.197 4.120 -0.002 0.000 0.272 230 V C -0.335 175.718 176.094 -0.069 0.000 1.043 230 V CA -0.441 61.779 62.300 -0.133 0.000 0.915 230 V CB 1.094 32.893 31.823 -0.039 0.000 0.988 230 V HN 0.660 8.850 8.190 -0.000 0.000 0.466 231 D N 4.465 124.813 120.400 -0.087 0.000 2.393 231 D HA 0.255 4.895 4.640 -0.002 0.000 0.232 231 D C 0.856 177.151 176.300 -0.009 0.000 1.192 231 D CA -0.134 53.850 54.000 -0.027 0.000 0.882 231 D CB 0.949 41.748 40.800 -0.001 0.000 1.038 231 D HN 0.501 8.871 8.370 -0.000 0.000 0.499 232 I N 2.248 122.823 120.570 0.009 0.000 3.291 232 I HA -0.159 4.010 4.170 -0.002 0.000 0.279 232 I C 2.256 178.383 176.117 0.016 0.000 1.294 232 I CA 0.218 61.532 61.300 0.024 0.000 1.428 232 I CB -0.096 37.919 38.000 0.026 0.000 1.070 232 I HN 0.306 8.516 8.210 -0.000 0.000 0.478 233 S N 0.732 116.439 115.700 0.013 0.000 2.368 233 S HA -0.045 4.424 4.470 -0.002 0.000 0.224 233 S C 1.137 175.736 174.600 -0.001 0.000 1.029 233 S CA 0.113 58.319 58.200 0.010 0.000 0.988 233 S CB -0.953 62.257 63.200 0.017 0.000 0.838 233 S HN 0.143 8.453 8.310 -0.000 0.000 0.462 234 V N 4.771 124.684 119.914 -0.002 0.000 2.441 234 V HA 0.052 4.171 4.120 -0.002 0.000 0.279 234 V C 0.734 176.775 176.094 -0.088 0.000 0.990 234 V CA 0.727 62.999 62.300 -0.047 0.000 1.116 234 V CB -0.345 31.395 31.823 -0.139 0.000 0.977 234 V HN 0.669 8.859 8.190 -0.000 0.000 0.470 235 D N 2.725 123.041 120.400 -0.140 0.000 2.559 235 D HA 0.083 4.722 4.640 -0.002 0.000 0.234 235 D C 0.185 176.266 176.300 -0.365 0.000 1.226 235 D CA -0.556 53.325 54.000 -0.199 0.000 0.830 235 D CB 0.038 40.768 40.800 -0.117 0.000 1.028 235 D HN 0.506 8.876 8.370 -0.000 0.000 0.492 236 N N 0.921 119.258 118.700 -0.605 0.000 2.399 236 N HA 0.061 4.800 4.740 -0.002 0.000 0.250 236 N C -0.164 174.650 175.510 -1.159 0.000 1.272 236 N CA -0.127 52.437 53.050 -0.810 0.000 0.928 236 N CB 0.721 38.649 38.487 -0.933 0.000 1.158 236 N HN 0.175 8.555 8.380 -0.000 0.000 0.463 237 Q N 0.693 120.033 119.800 -0.767 0.000 2.331 237 Q HA 0.237 4.576 4.340 -0.002 0.000 0.257 237 Q C -1.230 174.465 176.000 -0.508 0.000 0.957 237 Q CA -0.585 54.848 55.803 -0.616 0.000 0.923 237 Q CB 0.549 29.122 28.738 -0.276 0.000 1.212 237 Q HN 0.520 8.790 8.270 -0.000 0.000 0.443 238 W N 2.486 123.586 121.300 -0.332 0.000 2.332 238 W HA 0.430 5.089 4.660 -0.002 0.000 0.351 238 W C 0.165 176.572 176.519 -0.185 0.000 1.195 238 W CA -1.032 56.130 57.345 -0.304 0.000 1.334 238 W CB 0.820 29.927 29.460 -0.589 0.000 1.206 238 W HN 0.444 8.624 8.180 -0.000 0.000 0.637 239 N N 1.531 120.425 118.700 0.323 0.000 2.448 239 N HA 0.029 4.768 4.740 -0.002 0.000 0.279 239 N C -0.939 174.850 175.510 0.465 0.000 1.025 239 N CA -0.611 52.649 53.050 0.349 0.000 0.898 239 N CB 1.355 39.997 38.487 0.257 0.000 1.303 239 N HN 0.487 8.867 8.380 -0.000 0.000 0.495 240 W N 2.576 124.141 121.300 0.441 0.000 2.343 240 W HA 0.003 4.662 4.660 -0.001 0.000 0.337 240 W C 0.859 177.566 176.519 0.312 0.000 1.320 240 W CA 1.523 59.119 57.345 0.418 0.000 1.290 240 W CB 0.242 29.875 29.460 0.288 0.000 1.206 240 W HN 0.858 9.038 8.180 -0.000 0.000 0.565 241 G N 3.484 111.977 108.800 -0.511 0.000 2.168 241 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.257 241 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.257 241 G C -0.136 174.736 174.900 -0.047 0.000 0.997 241 G CA 0.542 45.438 45.100 -0.339 0.000 0.708 241 G HN 0.616 8.906 8.290 -0.000 0.000 0.520 242 E N -0.509 119.718 120.200 0.045 0.000 2.312 242 E HA 0.447 4.796 4.350 -0.002 0.000 0.267 242 E C -0.445 176.205 176.600 0.084 0.000 0.894 242 E CA -0.905 55.542 56.400 0.079 0.000 0.773 242 E CB 1.796 31.573 29.700 0.128 0.000 1.241 242 E HN 0.294 8.654 8.360 -0.000 0.000 0.432 243 E N 2.091 122.327 120.200 0.060 0.000 2.290 243 E HA 0.091 4.440 4.350 -0.002 0.000 0.277 243 E C -0.803 175.875 176.600 0.130 0.000 1.035 243 E CA -0.199 56.233 56.400 0.054 0.000 0.873 243 E CB 0.508 30.219 29.700 0.018 0.000 1.029 243 E HN 0.286 8.646 8.360 -0.000 0.000 0.419 244 N N 2.166 120.983 118.700 0.194 0.000 2.328 244 N HA 0.362 5.101 4.740 -0.002 0.000 0.299 244 N C -0.994 174.722 175.510 0.344 0.000 1.179 244 N CA -0.470 52.773 53.050 0.321 0.000 0.793 244 N CB 2.088 40.921 38.487 0.577 0.000 1.366 244 N HN 0.557 8.937 8.380 -0.000 0.000 0.493 245 T N -1.841 112.926 114.554 0.355 0.000 2.908 245 T HA 0.844 5.193 4.350 -0.002 0.000 0.290 245 T C -0.580 174.400 174.700 0.466 0.000 1.034 245 T CA -0.730 61.553 62.100 0.305 0.000 1.010 245 T CB 1.076 70.028 68.868 0.140 0.000 1.068 245 T HN 0.443 8.683 8.240 -0.000 0.000 0.481 246 F N -1.509 118.579 119.950 0.231 0.000 2.693 246 F HA 0.778 5.304 4.527 -0.001 0.000 0.309 246 F C -0.933 174.958 175.800 0.151 0.000 1.129 246 F CA -1.181 56.943 58.000 0.207 0.000 0.948 246 F CB 1.020 40.220 39.000 0.332 0.000 1.315 246 F HN 0.584 8.884 8.300 -0.000 0.000 0.447 247 S N 1.489 117.312 115.700 0.205 0.000 2.585 247 S HA 0.615 5.084 4.470 -0.002 0.000 0.277 247 S C -0.895 173.776 174.600 0.118 0.000 1.241 247 S CA -0.626 57.614 58.200 0.068 0.000 1.041 247 S CB 1.389 64.638 63.200 0.081 0.000 0.987 247 S HN 0.647 8.957 8.310 -0.000 0.000 0.512 248 K N 1.913 122.316 120.400 0.005 0.000 2.545 248 K HA 0.452 4.771 4.320 -0.002 0.000 0.252 248 K C -1.246 175.302 176.600 -0.087 0.000 0.948 248 K CA -0.164 56.108 56.287 -0.024 0.000 0.827 248 K CB 1.155 33.627 32.500 -0.048 0.000 1.128 248 K HN 0.530 8.780 8.250 -0.000 0.000 0.429 249 T N 4.428 118.909 114.554 -0.121 0.000 2.797 249 T HA 0.402 4.752 4.350 -0.002 0.000 0.279 249 T C -1.047 173.552 174.700 -0.168 0.000 0.991 249 T CA -0.255 61.807 62.100 -0.065 0.000 0.979 249 T CB 0.237 69.108 68.868 0.004 0.000 0.943 249 T HN 0.322 8.562 8.240 -0.000 0.000 0.444 250 Y N 1.719 122.061 120.300 0.070 0.000 2.335 250 Y HA 0.475 5.024 4.550 -0.001 0.000 0.339 250 Y C 0.936 176.892 175.900 0.094 0.000 0.987 250 Y CA -0.599 57.553 58.100 0.086 0.000 1.140 250 Y CB 1.470 39.980 38.460 0.082 0.000 1.173 250 Y HN 0.507 8.787 8.280 -0.000 0.000 0.486 251 T N 2.965 117.652 114.554 0.222 0.000 2.861 251 T HA 0.871 5.220 4.350 -0.002 0.000 0.287 251 T C -0.996 173.813 174.700 0.183 0.000 1.003 251 T CA -0.808 61.389 62.100 0.161 0.000 0.977 251 T CB 1.453 70.377 68.868 0.093 0.000 0.996 251 T HN 0.706 8.946 8.240 -0.000 0.000 0.448 252 A N 1.996 124.901 122.820 0.142 0.000 2.577 252 A HA 0.742 5.061 4.320 -0.002 0.000 0.297 252 A C -0.752 176.819 177.584 -0.022 0.000 1.060 252 A CA -0.820 51.296 52.037 0.132 0.000 0.697 252 A CB 1.565 20.718 19.000 0.255 0.000 1.281 252 A HN 0.631 8.781 8.150 -0.000 0.000 0.402 253 T N 2.419 116.965 114.554 -0.014 0.000 2.881 253 T HA 0.708 5.057 4.350 -0.002 0.000 0.291 253 T C -1.048 173.634 174.700 -0.030 0.000 0.990 253 T CA -0.096 61.920 62.100 -0.140 0.000 0.976 253 T CB 0.177 69.005 68.868 -0.067 0.000 0.970 253 T HN 1.054 9.294 8.240 -0.000 0.000 0.438 254 F N 0.014 119.973 119.950 0.016 0.000 2.619 254 F HA 0.849 5.375 4.527 -0.002 0.000 0.308 254 F C -0.293 175.580 175.800 0.122 0.000 1.097 254 F CA -1.292 56.730 58.000 0.038 0.000 0.953 254 F CB 1.243 40.232 39.000 -0.019 0.000 1.287 254 F HN 0.453 8.753 8.300 -0.000 0.000 0.446 255 S N 1.014 116.881 115.700 0.279 0.000 2.542 255 S HA 0.937 5.406 4.470 -0.002 0.000 0.293 255 S C -1.531 173.203 174.600 0.223 0.000 1.089 255 S CA -0.767 57.535 58.200 0.169 0.000 0.961 255 S CB 1.842 65.055 63.200 0.023 0.000 1.062 255 S HN 0.864 9.174 8.310 -0.000 0.000 0.483 256 V N 1.770 121.808 119.914 0.207 0.000 2.733 256 V HA 0.916 5.035 4.120 -0.002 0.000 0.306 256 V C -0.723 175.437 176.094 0.111 0.000 1.084 256 V CA -0.587 61.823 62.300 0.184 0.000 0.905 256 V CB 1.855 33.839 31.823 0.269 0.000 1.010 256 V HN 1.063 9.253 8.190 -0.000 0.000 0.424 257 R N 3.538 124.083 120.500 0.074 0.000 4.706 257 R HA 0.634 4.973 4.340 -0.002 0.000 0.289 257 R C -0.885 175.435 176.300 0.034 0.000 0.971 257 R CA 0.480 56.608 56.100 0.047 0.000 1.370 257 R CB 0.627 30.940 30.300 0.022 0.000 1.266 257 R HN 1.384 9.654 8.270 -0.000 0.000 0.563 258 A N 1.980 124.819 122.820 0.033 0.000 2.331 258 A HA 0.468 4.787 4.320 -0.002 0.000 0.222 258 A C -0.219 177.379 177.584 0.022 0.000 2.613 258 A CA -0.015 52.037 52.037 0.024 0.000 1.791 258 A CB -0.333 18.681 19.000 0.025 0.000 0.519 258 A HN 0.863 9.013 8.150 -0.000 0.000 0.763 259 G N -0.427 108.387 108.800 0.023 0.000 2.667 259 G HA2 0.606 4.565 3.960 -0.002 0.000 0.310 259 G HA3 0.606 4.565 3.960 -0.002 0.000 0.310 259 G C -1.646 173.264 174.900 0.017 0.000 1.259 259 G CA -1.468 43.644 45.100 0.021 0.000 1.019 259 G HN -0.044 8.246 8.290 -0.000 0.000 0.496 260 P HA 0.196 4.616 4.420 -0.000 0.000 0.230 260 P C 0.391 177.698 177.300 0.012 0.000 1.158 260 P CA 1.241 64.348 63.100 0.012 0.000 0.769 260 P CB 0.523 32.230 31.700 0.010 0.000 0.807 261 G N -0.595 108.214 108.800 0.015 0.000 2.046 261 G HA2 0.183 4.142 3.960 -0.002 0.000 0.180 261 G HA3 0.183 4.142 3.960 -0.002 0.000 0.180 261 G C -1.177 173.734 174.900 0.020 0.000 1.990 261 G CA -0.655 44.454 45.100 0.015 0.000 0.997 261 G HN -0.185 8.105 8.290 -0.000 0.000 0.592 262 E N 0.437 120.652 120.200 0.025 0.000 2.445 262 E HA 0.743 5.092 4.350 -0.002 0.000 0.273 262 E C -0.822 175.802 176.600 0.040 0.000 0.961 262 E CA -0.823 55.597 56.400 0.033 0.000 0.807 262 E CB 1.992 31.716 29.700 0.040 0.000 1.362 262 E HN 0.185 8.545 8.360 -0.000 0.000 0.453 263 T N 0.785 115.368 114.554 0.049 0.000 3.241 263 T HA 0.257 4.606 4.350 -0.002 0.000 0.387 263 T C -0.157 174.599 174.700 0.093 0.000 1.451 263 T CA -0.388 61.750 62.100 0.062 0.000 1.363 263 T CB 0.209 69.106 68.868 0.049 0.000 1.074 263 T HN 0.128 8.368 8.240 -0.000 0.000 0.598 264 V N 3.740 123.734 119.914 0.133 0.000 2.644 264 V HA 0.108 4.227 4.120 -0.002 0.000 0.305 264 V C 0.605 176.843 176.094 0.240 0.000 1.053 264 V CA 0.348 62.771 62.300 0.204 0.000 1.186 264 V CB 0.305 32.316 31.823 0.313 0.000 0.895 264 V HN 0.608 8.798 8.190 -0.000 0.000 0.490 265 K N 3.631 124.101 120.400 0.116 0.000 2.378 265 K HA 0.768 5.087 4.320 -0.002 0.000 0.252 265 K C -0.866 175.643 176.600 -0.151 0.000 0.931 265 K CA -0.609 55.686 56.287 0.013 0.000 0.794 265 K CB 1.910 34.415 32.500 0.008 0.000 1.181 265 K HN 0.794 9.044 8.250 -0.000 0.000 0.425 266 A N 3.181 125.800 122.820 -0.336 0.000 2.343 266 A HA 0.591 4.910 4.320 -0.002 0.000 0.308 266 A C -1.414 176.067 177.584 -0.171 0.000 1.092 266 A CA -0.674 51.135 52.037 -0.381 0.000 0.751 266 A CB 1.574 20.064 19.000 -0.850 0.000 1.203 266 A HN 0.390 8.540 8.150 -0.000 0.000 0.452 267 V N 2.254 122.112 119.914 -0.093 0.000 2.409 267 V HA 0.407 4.526 4.120 -0.002 0.000 0.290 267 V C 0.120 176.205 176.094 -0.015 0.000 1.017 267 V CA -0.419 61.852 62.300 -0.048 0.000 0.841 267 V CB 1.607 33.394 31.823 -0.060 0.000 1.003 267 V HN 0.856 9.046 8.190 -0.000 0.000 0.426 268 S N 3.141 118.864 115.700 0.038 0.000 2.457 268 S HA 0.663 5.132 4.470 -0.002 0.000 0.289 268 S C 0.012 174.552 174.600 -0.099 0.000 1.163 268 S CA -0.189 58.033 58.200 0.037 0.000 1.078 268 S CB 1.423 64.745 63.200 0.203 0.000 0.987 268 S HN 0.834 9.145 8.310 -0.000 0.000 0.482 269 T N 2.418 116.851 114.554 -0.203 0.000 2.903 269 T HA 0.693 5.042 4.350 -0.002 0.000 0.299 269 T C -1.299 173.218 174.700 -0.306 0.000 1.093 269 T CA -0.446 61.522 62.100 -0.219 0.000 1.002 269 T CB 1.463 70.227 68.868 -0.172 0.000 1.127 269 T HN 0.404 8.644 8.240 -0.000 0.000 0.488 270 V N 2.286 122.003 119.914 -0.328 0.000 3.078 270 V HA 0.622 4.741 4.120 -0.002 0.000 0.311 270 V C -1.484 174.347 176.094 -0.438 0.000 1.138 270 V CA -0.797 61.254 62.300 -0.415 0.000 1.007 270 V CB 2.469 33.967 31.823 -0.542 0.000 1.045 270 V HN 0.949 9.139 8.190 -0.000 0.000 0.432 271 D N 2.946 122.963 120.400 -0.639 0.000 2.280 271 D HA 0.567 5.206 4.640 -0.002 0.000 0.236 271 D C -0.354 175.157 176.300 -1.315 0.000 1.082 271 D CA 0.262 53.724 54.000 -0.895 0.000 0.834 271 D CB 1.722 41.877 40.800 -1.076 0.000 1.100 271 D HN 0.752 9.122 8.370 -0.000 0.000 0.486 272 S N 1.050 116.246 115.700 -0.841 0.000 2.566 272 S HA 0.949 5.418 4.470 -0.002 0.000 0.298 272 S C 0.126 174.497 174.600 -0.381 0.000 1.083 272 S CA -0.552 57.264 58.200 -0.640 0.000 0.978 272 S CB 2.483 65.510 63.200 -0.288 0.000 1.073 272 S HN 0.550 8.860 8.310 -0.000 0.000 0.491 273 G N 0.611 109.387 108.800 -0.040 0.000 2.315 273 G HA2 0.369 4.328 3.960 -0.002 0.000 0.294 273 G HA3 0.369 4.328 3.960 -0.002 0.000 0.294 273 G C -1.614 173.455 174.900 0.282 0.000 1.300 273 G CA -0.979 44.231 45.100 0.183 0.000 0.843 273 G HN 0.844 9.134 8.290 -0.000 0.000 0.527 274 I N 0.427 121.107 120.570 0.183 0.000 2.532 274 I HA 0.578 4.747 4.170 -0.002 0.000 0.292 274 I C 0.056 176.240 176.117 0.111 0.000 1.014 274 I CA -0.414 60.950 61.300 0.107 0.000 1.340 274 I CB 1.267 39.281 38.000 0.024 0.000 1.422 274 I HN 0.289 8.499 8.210 -0.000 0.000 0.528 275 I N 4.791 125.403 120.570 0.069 0.000 2.827 275 I HA 0.294 4.463 4.170 -0.002 0.000 0.298 275 I C -1.409 174.714 176.117 0.011 0.000 1.235 275 I CA -0.709 60.641 61.300 0.083 0.000 1.021 275 I CB 2.499 40.633 38.000 0.224 0.000 1.259 275 I HN 0.674 8.884 8.210 -0.000 0.000 0.427 276 N N 4.931 123.626 118.700 -0.010 0.000 2.329 276 N HA 0.739 5.478 4.740 -0.002 0.000 0.282 276 N C -1.848 173.638 175.510 -0.040 0.000 1.198 276 N CA -0.628 52.414 53.050 -0.013 0.000 0.790 276 N CB 2.324 40.762 38.487 -0.083 0.000 1.579 276 N HN 0.220 8.600 8.380 -0.000 0.000 0.475 277 V N 0.676 120.665 119.914 0.125 0.000 2.851 277 V HA 0.547 4.666 4.120 -0.002 0.000 0.307 277 V C -2.490 173.754 176.094 0.250 0.000 1.129 277 V CA -1.339 60.993 62.300 0.054 0.000 0.932 277 V CB 2.359 34.161 31.823 -0.035 0.000 1.024 277 V HN 0.666 8.856 8.190 -0.000 0.000 0.426 278 P HA 0.518 4.938 4.420 -0.000 0.000 0.272 278 P C -1.166 176.300 177.300 0.278 0.000 1.240 278 P CA -0.034 63.129 63.100 0.105 0.000 0.791 278 P CB 0.412 32.118 31.700 0.011 0.000 0.978 279 F N -3.114 116.894 119.950 0.097 0.000 2.741 279 F HA 0.658 5.183 4.527 -0.002 0.000 0.311 279 F C -1.655 174.161 175.800 0.026 0.000 1.149 279 F CA -0.729 57.296 58.000 0.041 0.000 0.930 279 F CB 0.563 39.517 39.000 -0.077 0.000 1.312 279 F HN 0.044 8.344 8.300 -0.000 0.000 0.450 280 T N 1.760 116.475 114.554 0.268 0.000 2.861 280 T HA 0.827 5.176 4.350 -0.002 0.000 0.287 280 T C -0.885 173.924 174.700 0.181 0.000 1.003 280 T CA -0.421 61.723 62.100 0.073 0.000 0.977 280 T CB 1.550 70.391 68.868 -0.044 0.000 0.996 280 T HN 0.984 9.224 8.240 -0.000 0.000 0.448 281 A N 2.676 125.509 122.820 0.021 0.000 2.330 281 A HA 0.771 5.090 4.320 -0.002 0.000 0.327 281 A C -1.562 175.857 177.584 -0.275 0.000 1.155 281 A CA -0.629 51.412 52.037 0.008 0.000 0.803 281 A CB 0.580 19.602 19.000 0.037 0.000 1.208 281 A HN 0.795 8.945 8.150 -0.000 0.000 0.477 282 Y N 1.952 122.216 120.300 -0.059 0.000 2.331 282 Y HA 0.587 5.136 4.550 -0.002 0.000 0.338 282 Y C -0.248 175.578 175.900 -0.124 0.000 0.976 282 Y CA -0.497 57.553 58.100 -0.082 0.000 1.137 282 Y CB 1.306 39.728 38.460 -0.063 0.000 1.172 282 Y HN 0.511 8.791 8.280 -0.000 0.000 0.478 283 L N 2.197 123.373 121.223 -0.078 0.000 2.279 283 L HA 0.854 5.193 4.340 -0.002 0.000 0.262 283 L C -0.328 176.460 176.870 -0.136 0.000 1.019 283 L CA -0.742 54.015 54.840 -0.138 0.000 0.823 283 L CB 2.228 44.132 42.059 -0.260 0.000 1.358 283 L HN 0.604 8.834 8.230 -0.000 0.000 0.432 284 S N -1.701 113.926 115.700 -0.122 0.000 2.537 284 S HA 0.561 5.031 4.470 -0.002 0.000 0.270 284 S C -0.722 173.846 174.600 -0.054 0.000 1.142 284 S CA -0.753 57.398 58.200 -0.082 0.000 0.870 284 S CB 1.443 64.612 63.200 -0.052 0.000 1.112 284 S HN 0.627 8.937 8.310 -0.000 0.000 0.466 285 S N 0.798 116.503 115.700 0.007 0.000 2.537 285 S HA 0.179 4.649 4.470 -0.002 0.000 0.286 285 S C 0.999 175.612 174.600 0.021 0.000 1.299 285 S CA -0.277 57.946 58.200 0.038 0.000 1.067 285 S CB 0.193 63.467 63.200 0.123 0.000 0.864 285 S HN 0.724 9.034 8.310 -0.000 0.000 0.494 286 K N 2.670 123.078 120.400 0.013 0.000 2.217 286 K HA -0.061 4.258 4.320 -0.002 0.000 0.202 286 K C 2.251 178.842 176.600 -0.015 0.000 1.051 286 K CA 1.436 57.723 56.287 0.001 0.000 0.952 286 K CB -0.129 32.374 32.500 0.006 0.000 0.736 286 K HN 0.802 9.052 8.250 -0.000 0.000 0.453 287 S N -0.580 115.103 115.700 -0.028 0.000 2.439 287 S HA 0.004 4.473 4.470 -0.002 0.000 0.224 287 S C 1.851 176.432 174.600 -0.032 0.000 1.029 287 S CA 0.837 58.996 58.200 -0.067 0.000 0.946 287 S CB 0.222 63.326 63.200 -0.160 0.000 0.797 287 S HN 0.043 8.353 8.310 -0.000 0.000 0.504 288 T N -0.155 114.414 114.554 0.026 0.000 3.026 288 T HA 0.506 4.855 4.350 -0.002 0.000 0.245 288 T C 1.350 176.096 174.700 0.075 0.000 1.004 288 T CA 0.544 62.689 62.100 0.076 0.000 1.069 288 T CB 0.270 69.245 68.868 0.178 0.000 1.005 288 T HN 0.809 9.049 8.240 -0.000 0.000 0.472 289 G N 1.568 110.410 108.800 0.070 0.000 2.176 289 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.232 289 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.232 289 G C 0.095 175.013 174.900 0.030 0.000 0.986 289 G CA -0.252 44.865 45.100 0.030 0.000 0.643 289 G HN 0.512 8.802 8.290 -0.000 0.000 0.522 290 F N 2.549 122.478 119.950 -0.035 0.000 2.623 290 F HA 0.412 4.938 4.527 -0.002 0.000 0.383 290 F C 0.851 176.594 175.800 -0.095 0.000 1.077 290 F CA 0.530 58.498 58.000 -0.052 0.000 1.268 290 F CB 0.465 39.439 39.000 -0.043 0.000 1.053 290 F HN 0.292 8.592 8.300 -0.000 0.000 0.571 291 E N 4.392 124.250 120.200 -0.570 0.000 2.248 291 E HA 0.615 4.964 4.350 -0.002 0.000 0.272 291 E C -0.931 175.495 176.600 -0.291 0.000 1.008 291 E CA -0.804 55.397 56.400 -0.332 0.000 0.856 291 E CB 2.002 31.544 29.700 -0.263 0.000 1.120 291 E HN 0.525 8.885 8.360 -0.000 0.000 0.397 292 V N -1.644 118.164 119.914 -0.177 0.000 3.253 292 V HA 0.738 4.857 4.120 -0.002 0.000 0.300 292 V C -0.721 175.270 176.094 -0.171 0.000 1.398 292 V CA -0.879 61.341 62.300 -0.133 0.000 1.067 292 V CB 1.688 33.395 31.823 -0.195 0.000 1.102 292 V HN 0.855 9.045 8.190 -0.000 0.000 0.455 293 T N -1.760 112.706 114.554 -0.147 0.000 2.883 293 T HA 0.854 5.203 4.350 -0.002 0.000 0.296 293 T C -0.583 174.035 174.700 -0.137 0.000 1.117 293 T CA -0.585 61.360 62.100 -0.259 0.000 1.006 293 T CB 1.993 70.638 68.868 -0.371 0.000 1.191 293 T HN 1.189 9.429 8.240 -0.000 0.000 0.508 294 T N 2.016 116.468 114.554 -0.170 0.000 2.971 294 T HA 0.505 4.855 4.350 -0.002 0.000 0.304 294 T C -1.222 173.404 174.700 -0.124 0.000 1.038 294 T CA -0.860 61.194 62.100 -0.077 0.000 1.007 294 T CB 1.694 70.536 68.868 -0.043 0.000 1.055 294 T HN 0.692 8.932 8.240 -0.000 0.000 0.451 295 E N 1.420 121.500 120.200 -0.199 0.000 2.242 295 E HA 0.736 5.085 4.350 -0.002 0.000 0.275 295 E C 0.159 176.489 176.600 -0.451 0.000 1.002 295 E CA -0.813 55.403 56.400 -0.308 0.000 0.841 295 E CB 1.940 31.481 29.700 -0.265 0.000 1.109 295 E HN 0.851 9.211 8.360 -0.000 0.000 0.394 296 G N 0.687 108.989 108.800 -0.829 0.000 2.660 296 G HA2 0.597 4.556 3.960 -0.002 0.000 0.290 296 G HA3 0.597 4.556 3.960 -0.002 0.000 0.290 296 G C -1.239 173.093 174.900 -0.946 0.000 1.432 296 G CA -0.783 43.751 45.100 -0.943 0.000 0.807 296 G HN 0.355 8.645 8.290 -0.000 0.000 0.485 297 I N 0.362 120.729 120.570 -0.338 0.000 2.389 297 I HA 0.331 4.500 4.170 -0.002 0.000 0.288 297 I C -0.999 175.275 176.117 0.262 0.000 0.999 297 I CA -0.543 60.747 61.300 -0.017 0.000 1.129 297 I CB 2.135 40.100 38.000 -0.059 0.000 1.288 297 I HN 0.616 8.826 8.210 -0.000 0.000 0.444 298 W N 8.115 129.579 121.300 0.274 0.000 2.365 298 W HA 0.567 5.226 4.660 -0.001 0.000 0.316 298 W C -0.285 176.175 176.519 -0.097 0.000 1.164 298 W CA -0.423 56.921 57.345 -0.003 0.000 1.204 298 W CB 0.913 30.300 29.460 -0.122 0.000 1.213 298 W HN 0.412 8.592 8.180 -0.000 0.000 0.539 299 R N 4.406 124.179 120.500 -1.211 0.000 2.673 299 R HA 0.776 5.116 4.340 -0.002 0.000 0.281 299 R C -0.898 174.583 176.300 -1.364 0.000 0.991 299 R CA -0.585 54.901 56.100 -1.023 0.000 0.896 299 R CB 1.738 31.752 30.300 -0.475 0.000 1.201 299 R HN 0.777 9.047 8.270 -0.000 0.000 0.457 300 G N 1.187 109.439 108.800 -0.912 0.000 2.489 300 G HA2 0.304 4.263 3.960 -0.002 0.000 0.291 300 G HA3 0.304 4.263 3.960 -0.002 0.000 0.291 300 G C -1.738 173.096 174.900 -0.110 0.000 1.487 300 G CA -0.667 44.125 45.100 -0.512 0.000 0.795 300 G HN 0.404 8.694 8.290 -0.000 0.000 0.513 301 V N 1.070 120.972 119.914 -0.021 0.000 2.488 301 V HA 0.614 4.733 4.120 -0.002 0.000 0.277 301 V C 0.691 176.876 176.094 0.151 0.000 1.046 301 V CA 0.309 62.645 62.300 0.061 0.000 0.986 301 V CB 0.764 32.593 31.823 0.009 0.000 0.989 301 V HN 0.891 9.081 8.190 -0.000 0.000 0.475 302 S N 3.283 119.154 115.700 0.286 0.000 2.851 302 S HA 0.902 5.371 4.470 -0.002 0.000 0.313 302 S C -0.540 174.274 174.600 0.356 0.000 1.163 302 S CA -0.075 58.356 58.200 0.386 0.000 0.850 302 S CB 2.183 65.720 63.200 0.562 0.000 1.245 302 S HN 0.968 9.278 8.310 -0.000 0.000 0.558 303 S N -0.128 115.825 115.700 0.421 0.000 2.579 303 S HA 0.894 5.363 4.470 -0.002 0.000 0.272 303 S C -1.468 173.399 174.600 0.444 0.000 1.141 303 S CA -0.848 57.421 58.200 0.114 0.000 0.843 303 S CB 1.279 64.530 63.200 0.085 0.000 1.122 303 S HN 1.167 9.477 8.310 -0.000 0.000 0.468 304 W N -1.194 120.180 121.300 0.123 0.000 2.926 304 W HA 0.649 5.308 4.660 -0.001 0.000 0.361 304 W C -1.799 174.745 176.519 0.042 0.000 1.195 304 W CA -0.573 56.854 57.345 0.137 0.000 1.177 304 W CB -0.432 29.163 29.460 0.224 0.000 1.453 304 W HN 0.663 8.843 8.180 -0.000 0.000 0.571 305 D N 1.163 121.729 120.400 0.276 0.000 2.828 305 D HA -0.195 4.444 4.640 -0.002 0.000 0.241 305 D C -0.606 175.637 176.300 -0.095 0.000 1.142 305 D CA 1.081 55.144 54.000 0.106 0.000 0.755 305 D CB -1.097 39.811 40.800 0.180 0.000 1.014 305 D HN 0.612 8.982 8.370 -0.000 0.000 0.420 306 L N 0.518 121.664 121.223 -0.129 0.000 2.477 306 L HA 0.227 4.566 4.340 -0.002 0.000 0.272 306 L C 0.386 177.041 176.870 -0.359 0.000 1.157 306 L CA 0.597 55.256 54.840 -0.301 0.000 0.889 306 L CB 0.323 42.235 42.059 -0.245 0.000 1.158 306 L HN 0.086 8.316 8.230 -0.000 0.000 0.473 307 R N 3.705 123.944 120.500 -0.436 0.000 2.637 307 R HA 0.581 4.920 4.340 -0.002 0.000 0.291 307 R C -1.153 174.802 176.300 -0.574 0.000 0.963 307 R CA -0.568 55.283 56.100 -0.415 0.000 0.901 307 R CB 1.377 31.537 30.300 -0.235 0.000 1.160 307 R HN 0.585 8.855 8.270 -0.000 0.000 0.457 308 H N 1.018 119.964 119.070 -0.207 0.000 2.800 308 H HA 0.322 4.877 4.556 -0.002 0.000 0.322 308 H C -0.737 174.403 175.328 -0.313 0.000 0.979 308 H CA -0.523 55.321 56.048 -0.340 0.000 1.277 308 H CB 1.933 31.294 29.762 -0.667 0.000 1.484 308 H HN 0.445 8.725 8.280 -0.000 0.000 0.512 309 T N 5.127 119.596 114.554 -0.142 0.000 2.770 309 T HA 0.445 4.794 4.350 -0.002 0.000 0.283 309 T C 0.535 175.156 174.700 -0.131 0.000 0.988 309 T CA -0.645 61.380 62.100 -0.126 0.000 0.957 309 T CB 0.922 69.734 68.868 -0.093 0.000 0.930 309 T HN 0.269 8.509 8.240 -0.000 0.000 0.443 310 L N 3.900 125.055 121.223 -0.113 0.000 2.307 310 L HA 0.730 5.069 4.340 -0.002 0.000 0.284 310 L C 0.419 177.270 176.870 -0.032 0.000 1.023 310 L CA -0.730 54.066 54.840 -0.074 0.000 0.810 310 L CB 1.615 43.649 42.059 -0.042 0.000 1.231 310 L HN 0.731 8.961 8.230 -0.000 0.000 0.423 311 T N -1.380 113.166 114.554 -0.013 0.000 2.971 311 T HA 0.513 4.862 4.350 -0.002 0.000 0.304 311 T C -0.423 174.291 174.700 0.024 0.000 1.038 311 T CA -0.730 61.371 62.100 0.001 0.000 1.007 311 T CB 1.601 70.463 68.868 -0.010 0.000 1.055 311 T HN 0.339 8.579 8.240 -0.000 0.000 0.451 312 S N 1.460 117.177 115.700 0.029 0.000 2.610 312 S HA 0.779 5.248 4.470 -0.002 0.000 0.273 312 S C -0.094 174.523 174.600 0.028 0.000 1.274 312 S CA -0.674 57.549 58.200 0.038 0.000 1.023 312 S CB 1.085 64.306 63.200 0.036 0.000 0.962 312 S HN 0.770 9.080 8.310 -0.000 0.000 0.523 313 V N 1.424 121.357 119.914 0.032 0.000 3.078 313 V HA 0.772 4.891 4.120 -0.002 0.000 0.311 313 V C -0.118 175.990 176.094 0.023 0.000 1.138 313 V CA -0.677 61.638 62.300 0.025 0.000 1.007 313 V CB 2.372 34.210 31.823 0.026 0.000 1.045 313 V HN 0.959 9.149 8.190 -0.000 0.000 0.432 314 T N 0.404 114.969 114.554 0.018 0.000 2.731 314 T HA 0.959 5.308 4.350 -0.002 0.000 0.300 314 T C -0.681 174.026 174.700 0.012 0.000 1.283 314 T CA -0.019 62.090 62.100 0.016 0.000 1.005 314 T CB 2.083 70.959 68.868 0.014 0.000 1.420 314 T HN 1.484 9.724 8.240 -0.000 0.000 0.503 315 A N 0.000 122.827 122.820 0.011 0.000 2.254 315 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 315 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 315 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 315 A HN 0.000 8.150 8.150 -0.000 0.000 0.486