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 1e62_1_A DATA FIRST_RESID 9 DATA SEQUENCE DVPVNLYRPN APFIGKVISN EPLVKEGGIG IVQHIKFDLT GGNLKYIEGQ DATA SEQUENCE SIGIIPPGVD KNGKPERLRL YSIASTRHGD DVDDKTISLC VRQLEYKHPE DATA SEQUENCE SGETVYGVCS TYLTHIEPGS EVKITGPVGK EMLLPDDPEA NVIMLATGTG DATA SEQUENCE IAPMRTYLWR MFKDAERAAN PEYQFKGFSW LVFGVPTTPN ILYKEELEEI DATA SEQUENCE QQKYPDNFRL TYAISREQKN PQGGRMYIQD RVAEHADQLW QLIKNQKTHT DATA SEQUENCE YICGLRGMEE GIDAALSAAA AKEGVTWSDY QKDLKKAGRW HVETY 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 9 D HA 0.000 4.640 4.640 0.000 0.000 0.175 9 D C 0.000 176.283 176.300 -0.029 0.000 2.045 9 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 9 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 10 V N 3.953 123.856 119.914 -0.019 0.000 2.385 10 V HA 0.454 4.572 4.120 -0.003 0.000 0.269 10 V C -1.959 174.128 176.094 -0.012 0.000 1.043 10 V CA -1.091 61.200 62.300 -0.015 0.000 0.906 10 V CB 0.877 32.699 31.823 -0.002 0.000 0.995 10 V HN 0.119 8.309 8.190 0.000 0.000 0.467 11 P HA 0.308 4.728 4.420 0.000 0.000 0.271 11 P C -0.928 176.377 177.300 0.008 0.000 1.220 11 P CA 0.037 63.133 63.100 -0.006 0.000 0.768 11 P CB 1.335 33.034 31.700 -0.002 0.000 0.848 12 V N 3.391 123.305 119.914 -0.001 0.000 2.733 12 V HA 0.254 4.372 4.120 -0.003 0.000 0.306 12 V C 0.159 176.249 176.094 -0.007 0.000 1.084 12 V CA -0.886 61.416 62.300 0.004 0.000 0.905 12 V CB 1.553 33.377 31.823 0.003 0.000 1.010 12 V HN 0.626 8.816 8.190 0.000 0.000 0.424 13 N N 2.882 121.584 118.700 0.003 0.000 2.725 13 N HA -0.179 4.560 4.740 -0.003 0.000 0.251 13 N C 0.741 176.222 175.510 -0.048 0.000 1.031 13 N CA 0.643 53.691 53.050 -0.004 0.000 0.720 13 N CB -0.605 37.877 38.487 -0.009 0.000 0.930 13 N HN 0.687 9.067 8.380 0.000 0.000 0.543 14 L N -1.613 119.574 121.223 -0.060 0.000 2.201 14 L HA -0.055 4.283 4.340 -0.003 0.000 0.212 14 L C 0.323 176.903 176.870 -0.483 0.000 1.105 14 L CA 1.271 55.983 54.840 -0.212 0.000 0.775 14 L CB -0.090 41.880 42.059 -0.148 0.000 0.913 14 L HN 0.219 8.449 8.230 0.000 0.000 0.440 15 Y N -0.950 119.354 120.300 0.005 0.000 2.462 15 Y HA 0.525 5.074 4.550 -0.002 0.000 0.346 15 Y C 0.040 175.950 175.900 0.017 0.000 0.976 15 Y CA -0.984 57.132 58.100 0.026 0.000 1.044 15 Y CB 1.401 39.899 38.460 0.063 0.000 1.230 15 Y HN -0.161 8.119 8.280 0.000 0.000 0.455 16 R N 2.445 123.029 120.500 0.140 0.000 2.919 16 R HA 0.391 4.729 4.340 -0.003 0.000 0.260 16 R C -2.115 174.236 176.300 0.085 0.000 1.067 16 R CA -2.072 54.076 56.100 0.081 0.000 1.003 16 R CB 1.032 31.353 30.300 0.035 0.000 1.192 16 R HN 0.300 8.570 8.270 0.000 0.000 0.488 17 P HA -0.179 4.241 4.420 0.000 0.000 0.219 17 P C 0.447 177.767 177.300 0.033 0.000 1.146 17 P CA 1.225 64.347 63.100 0.036 0.000 0.808 17 P CB 0.094 31.806 31.700 0.019 0.000 0.779 18 N N -0.339 118.382 118.700 0.035 0.000 2.494 18 N HA 0.011 4.750 4.740 -0.003 0.000 0.182 18 N C 0.311 175.846 175.510 0.042 0.000 1.076 18 N CA 0.676 53.743 53.050 0.029 0.000 0.908 18 N CB 0.080 38.580 38.487 0.022 0.000 0.967 18 N HN -0.031 8.349 8.380 0.000 0.000 0.449 19 A N 1.094 123.956 122.820 0.071 0.000 3.124 19 A HA 0.360 4.679 4.320 -0.003 0.000 0.295 19 A C -2.799 174.891 177.584 0.178 0.000 1.199 19 A CA -0.943 51.155 52.037 0.100 0.000 0.845 19 A CB 0.819 19.880 19.000 0.101 0.000 1.381 19 A HN 0.090 8.240 8.150 0.000 0.000 0.537 20 P HA 0.363 4.783 4.420 0.000 0.000 0.274 20 P C -0.365 176.946 177.300 0.018 0.000 1.256 20 P CA -0.343 62.820 63.100 0.105 0.000 0.795 20 P CB 0.604 32.310 31.700 0.010 0.000 1.038 21 F N 1.646 121.356 119.950 -0.401 0.000 2.427 21 F HA 0.251 4.778 4.527 0.000 0.000 0.352 21 F C 0.084 175.692 175.800 -0.320 0.000 1.100 21 F CA -0.867 56.737 58.000 -0.661 0.000 1.191 21 F CB 0.080 38.364 39.000 -1.193 0.000 1.128 21 F HN 0.035 8.335 8.300 0.000 0.000 0.533 22 I N 6.708 126.608 120.570 -1.117 0.000 2.287 22 I HA 0.277 4.446 4.170 -0.003 0.000 0.290 22 I C 0.707 176.111 176.117 -1.188 0.000 1.069 22 I CA -0.186 60.611 61.300 -0.838 0.000 1.237 22 I CB -0.160 37.576 38.000 -0.440 0.000 1.418 22 I HN 0.672 8.882 8.210 0.000 0.000 0.481 23 G N 6.074 114.360 108.800 -0.856 0.000 2.488 23 G HA2 0.535 4.493 3.960 -0.003 0.000 0.318 23 G HA3 0.535 4.493 3.960 -0.003 0.000 0.318 23 G C -0.381 174.454 174.900 -0.109 0.000 1.188 23 G CA -0.597 44.251 45.100 -0.421 0.000 0.944 23 G HN 0.431 8.721 8.290 0.000 0.000 0.495 24 K N -0.168 120.259 120.400 0.045 0.000 2.207 24 K HA 0.437 4.755 4.320 -0.003 0.000 0.255 24 K C -0.601 176.080 176.600 0.134 0.000 0.941 24 K CA -0.670 55.659 56.287 0.070 0.000 0.825 24 K CB 2.586 35.102 32.500 0.026 0.000 1.119 24 K HN 0.226 8.476 8.250 0.000 0.000 0.430 25 V N 4.632 124.581 119.914 0.058 0.000 2.572 25 V HA 0.040 4.158 4.120 -0.003 0.000 0.291 25 V C 1.423 177.450 176.094 -0.111 0.000 1.039 25 V CA 0.364 62.586 62.300 -0.130 0.000 1.055 25 V CB 0.585 32.286 31.823 -0.203 0.000 0.969 25 V HN 0.744 8.934 8.190 0.000 0.000 0.482 26 I N 2.565 123.043 120.570 -0.154 0.000 2.685 26 I HA 0.079 4.247 4.170 -0.003 0.000 0.251 26 I C 0.939 176.994 176.117 -0.103 0.000 1.102 26 I CA 0.726 61.974 61.300 -0.087 0.000 1.442 26 I CB 0.459 38.430 38.000 -0.048 0.000 1.194 26 I HN 0.776 8.986 8.210 0.000 0.000 0.448 27 S N -0.395 115.212 115.700 -0.155 0.000 2.618 27 S HA 0.430 4.899 4.470 -0.003 0.000 0.277 27 S C -0.701 173.790 174.600 -0.181 0.000 1.138 27 S CA -0.782 57.346 58.200 -0.120 0.000 0.844 27 S CB 2.254 65.425 63.200 -0.049 0.000 1.127 27 S HN 0.266 8.576 8.310 0.000 0.000 0.474 28 N N 0.354 118.978 118.700 -0.125 0.000 2.701 28 N HA 0.225 4.963 4.740 -0.003 0.000 0.258 28 N C -1.646 173.824 175.510 -0.066 0.000 1.262 28 N CA -0.180 52.787 53.050 -0.139 0.000 0.780 28 N CB 0.938 39.326 38.487 -0.165 0.000 1.380 28 N HN 0.729 9.109 8.380 0.000 0.000 0.548 29 E N 2.589 122.778 120.200 -0.017 0.000 2.214 29 E HA 0.411 4.759 4.350 -0.003 0.000 0.274 29 E C -2.493 174.105 176.600 -0.002 0.000 0.977 29 E CA -1.968 54.437 56.400 0.008 0.000 0.827 29 E CB 1.737 31.464 29.700 0.045 0.000 1.130 29 E HN 0.340 8.700 8.360 0.000 0.000 0.394 30 P HA 0.096 4.516 4.420 0.000 0.000 0.284 30 P C -0.176 177.098 177.300 -0.043 0.000 1.253 30 P CA -0.123 62.960 63.100 -0.028 0.000 0.800 30 P CB 1.257 32.944 31.700 -0.022 0.000 0.961 31 L N 1.639 122.821 121.223 -0.069 0.000 2.537 31 L HA 0.151 4.489 4.340 -0.003 0.000 0.224 31 L C 0.743 177.553 176.870 -0.100 0.000 1.065 31 L CA 0.169 54.931 54.840 -0.131 0.000 0.860 31 L CB 0.246 42.168 42.059 -0.230 0.000 1.086 31 L HN 0.096 8.326 8.230 0.000 0.000 0.482 32 V N 1.925 121.801 119.914 -0.063 0.000 2.455 32 V HA 0.099 4.217 4.120 -0.003 0.000 0.273 32 V C 0.353 176.426 176.094 -0.034 0.000 1.045 32 V CA -0.274 61.999 62.300 -0.045 0.000 0.976 32 V CB 0.785 32.592 31.823 -0.027 0.000 0.993 32 V HN 0.177 8.367 8.190 0.000 0.000 0.475 33 K N 3.401 123.780 120.400 -0.035 0.000 2.098 33 K HA 0.327 4.646 4.320 -0.003 0.000 0.244 33 K C 0.372 176.961 176.600 -0.019 0.000 1.014 33 K CA -0.656 55.616 56.287 -0.025 0.000 0.917 33 K CB 1.018 33.503 32.500 -0.025 0.000 1.072 33 K HN 0.869 9.119 8.250 0.000 0.000 0.477 34 E N -0.003 120.189 120.200 -0.013 0.000 2.558 34 E HA 0.024 4.372 4.350 -0.003 0.000 0.255 34 E C 0.491 177.083 176.600 -0.012 0.000 0.968 34 E CA 0.376 56.771 56.400 -0.009 0.000 0.939 34 E CB -0.010 29.686 29.700 -0.006 0.000 0.921 34 E HN 0.798 9.158 8.360 0.000 0.000 0.477 35 G N 2.245 111.040 108.800 -0.010 0.000 2.195 35 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.224 35 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.224 35 G C 0.457 175.347 174.900 -0.016 0.000 0.990 35 G CA -0.269 44.824 45.100 -0.012 0.000 0.639 35 G HN 0.956 9.246 8.290 0.000 0.000 0.514 36 G N -0.618 108.171 108.800 -0.018 0.000 2.535 36 G HA2 0.643 4.601 3.960 -0.003 0.000 0.303 36 G HA3 0.643 4.601 3.960 -0.003 0.000 0.303 36 G C -0.184 174.710 174.900 -0.008 0.000 1.237 36 G CA -0.806 44.281 45.100 -0.022 0.000 0.986 36 G HN 0.604 8.894 8.290 0.000 0.000 0.494 37 I N 0.941 121.507 120.570 -0.007 0.000 2.362 37 I HA 0.542 4.710 4.170 -0.003 0.000 0.289 37 I C 0.816 176.944 176.117 0.018 0.000 0.994 37 I CA 0.245 61.550 61.300 0.009 0.000 1.158 37 I CB 1.039 39.045 38.000 0.011 0.000 1.315 37 I HN 1.015 9.225 8.210 0.000 0.000 0.451 38 G N 6.450 115.269 108.800 0.032 0.000 2.698 38 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.225 38 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.225 38 G C -0.917 174.003 174.900 0.034 0.000 1.345 38 G CA -0.861 44.266 45.100 0.044 0.000 0.871 38 G HN 0.557 8.847 8.290 0.000 0.000 0.540 39 I N -0.018 120.573 120.570 0.036 0.000 2.447 39 I HA 0.528 4.696 4.170 -0.003 0.000 0.287 39 I C -0.242 175.875 176.117 -0.001 0.000 1.023 39 I CA -0.984 60.322 61.300 0.010 0.000 1.083 39 I CB 2.087 40.090 38.000 0.004 0.000 1.245 39 I HN 0.437 8.647 8.210 0.000 0.000 0.434 40 V N 5.779 125.685 119.914 -0.015 0.000 2.525 40 V HA 0.423 4.542 4.120 -0.003 0.000 0.299 40 V C -0.533 175.539 176.094 -0.037 0.000 1.034 40 V CA -0.727 61.566 62.300 -0.013 0.000 0.863 40 V CB 1.787 33.614 31.823 0.006 0.000 0.999 40 V HN 0.586 8.776 8.190 0.000 0.000 0.423 41 Q N 1.808 121.579 119.800 -0.048 0.000 2.306 41 Q HA 0.480 4.818 4.340 -0.003 0.000 0.265 41 Q C -0.976 175.018 176.000 -0.011 0.000 1.022 41 Q CA -0.767 55.004 55.803 -0.053 0.000 0.853 41 Q CB 2.718 31.386 28.738 -0.117 0.000 1.327 41 Q HN 0.852 9.122 8.270 0.000 0.000 0.449 42 H N 1.486 120.512 119.070 -0.074 0.000 2.597 42 H HA 0.497 5.051 4.556 -0.003 0.000 0.303 42 H C -0.945 174.318 175.328 -0.108 0.000 1.057 42 H CA -0.219 55.808 56.048 -0.035 0.000 1.261 42 H CB 0.117 29.904 29.762 0.042 0.000 1.397 42 H HN 0.422 8.702 8.280 0.000 0.000 0.461 43 I N 5.152 125.442 120.570 -0.467 0.000 2.389 43 I HA 0.271 4.439 4.170 -0.003 0.000 0.288 43 I C -0.399 175.314 176.117 -0.673 0.000 0.999 43 I CA -0.756 60.227 61.300 -0.529 0.000 1.129 43 I CB 1.558 39.231 38.000 -0.545 0.000 1.288 43 I HN 0.441 8.651 8.210 0.000 0.000 0.444 44 K N 6.254 126.301 120.400 -0.587 0.000 2.182 44 K HA 0.657 4.975 4.320 -0.003 0.000 0.262 44 K C -1.573 174.734 176.600 -0.488 0.000 0.957 44 K CA -0.391 55.657 56.287 -0.398 0.000 0.842 44 K CB 1.185 33.603 32.500 -0.136 0.000 1.099 44 K HN 0.337 8.587 8.250 0.000 0.000 0.438 45 F N 1.356 121.273 119.950 -0.054 0.000 2.522 45 F HA 0.234 4.760 4.527 -0.003 0.000 0.324 45 F C 0.222 176.041 175.800 0.031 0.000 1.077 45 F CA -0.919 57.067 58.000 -0.023 0.000 0.944 45 F CB 1.472 40.456 39.000 -0.028 0.000 1.175 45 F HN 0.470 8.770 8.300 0.000 0.000 0.468 46 D N 2.209 122.756 120.400 0.244 0.000 2.312 46 D HA 0.259 4.898 4.640 -0.003 0.000 0.252 46 D C 0.260 176.727 176.300 0.278 0.000 1.150 46 D CA 0.208 54.324 54.000 0.193 0.000 0.870 46 D CB 1.048 41.928 40.800 0.134 0.000 1.153 46 D HN 0.517 8.887 8.370 0.000 0.000 0.457 47 L N 2.628 123.988 121.223 0.228 0.000 2.693 47 L HA 0.098 4.436 4.340 -0.003 0.000 0.235 47 L C 0.851 177.796 176.870 0.125 0.000 1.127 47 L CA -0.068 54.885 54.840 0.188 0.000 0.914 47 L CB 0.066 42.157 42.059 0.053 0.000 1.193 47 L HN 0.409 8.639 8.230 0.000 0.000 0.502 48 T N -1.957 112.697 114.554 0.166 0.000 2.901 48 T HA 0.431 4.780 4.350 -0.003 0.000 0.301 48 T C 1.214 176.030 174.700 0.194 0.000 1.012 48 T CA 0.387 62.562 62.100 0.126 0.000 1.135 48 T CB 1.575 70.501 68.868 0.097 0.000 0.936 48 T HN 0.385 8.625 8.240 0.000 0.000 0.539 49 G N 1.088 109.974 108.800 0.144 0.000 2.179 49 G HA2 0.160 4.118 3.960 -0.003 0.000 0.220 49 G HA3 0.160 4.118 3.960 -0.003 0.000 0.220 49 G C 0.272 175.314 174.900 0.237 0.000 0.990 49 G CA -0.130 45.083 45.100 0.190 0.000 0.646 49 G HN 1.440 9.730 8.290 0.000 0.000 0.517 50 G N -0.476 108.365 108.800 0.068 0.000 2.866 50 G HA2 0.612 4.570 3.960 -0.003 0.000 0.289 50 G HA3 0.612 4.570 3.960 -0.003 0.000 0.289 50 G C -0.106 174.722 174.900 -0.119 0.000 1.396 50 G CA 0.345 45.392 45.100 -0.089 0.000 0.848 50 G HN 0.860 9.150 8.290 0.000 0.000 0.515 51 N N 0.338 119.026 118.700 -0.019 0.000 2.416 51 N HA 0.075 4.813 4.740 -0.003 0.000 0.267 51 N C -0.157 175.361 175.510 0.013 0.000 1.294 51 N CA -0.459 52.583 53.050 -0.013 0.000 0.891 51 N CB 0.724 39.208 38.487 -0.006 0.000 1.238 51 N HN 0.331 8.711 8.380 0.000 0.000 0.508 52 L N 1.277 122.473 121.223 -0.045 0.000 2.565 52 L HA 0.228 4.566 4.340 -0.003 0.000 0.275 52 L C -0.338 176.561 176.870 0.047 0.000 1.137 52 L CA 0.658 55.510 54.840 0.020 0.000 0.915 52 L CB -0.056 41.909 42.059 -0.157 0.000 1.232 52 L HN 0.170 8.400 8.230 0.000 0.000 0.473 53 K N 5.677 126.113 120.400 0.061 0.000 2.208 53 K HA 0.617 4.935 4.320 -0.003 0.000 0.247 53 K C -1.376 175.292 176.600 0.114 0.000 0.953 53 K CA -0.546 55.752 56.287 0.017 0.000 0.837 53 K CB 2.328 34.793 32.500 -0.059 0.000 1.131 53 K HN 0.506 8.756 8.250 0.000 0.000 0.431 54 Y N -0.843 119.416 120.300 -0.068 0.000 2.656 54 Y HA 0.615 5.164 4.550 -0.002 0.000 0.334 54 Y C -1.025 174.819 175.900 -0.094 0.000 1.179 54 Y CA -1.447 56.613 58.100 -0.068 0.000 1.050 54 Y CB 0.728 39.153 38.460 -0.060 0.000 1.308 54 Y HN 0.548 8.828 8.280 0.000 0.000 0.456 55 I N -1.516 119.075 120.570 0.036 0.000 3.457 55 I HA 0.760 4.928 4.170 -0.003 0.000 0.307 55 I C -1.054 175.092 176.117 0.048 0.000 1.138 55 I CA -1.601 59.658 61.300 -0.069 0.000 0.974 55 I CB 2.044 39.983 38.000 -0.101 0.000 1.324 55 I HN 0.554 8.764 8.210 0.000 0.000 0.485 56 E N 0.979 121.165 120.200 -0.024 0.000 2.316 56 E HA 0.493 4.841 4.350 -0.003 0.000 0.275 56 E C 0.592 177.227 176.600 0.058 0.000 1.029 56 E CA 1.036 57.433 56.400 -0.005 0.000 0.871 56 E CB 0.918 30.608 29.700 -0.017 0.000 1.022 56 E HN 0.972 9.332 8.360 0.000 0.000 0.418 57 G N 2.344 111.146 108.800 0.003 0.000 2.218 57 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.216 57 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.216 57 G C 0.261 175.183 174.900 0.036 0.000 0.994 57 G CA -0.273 44.865 45.100 0.064 0.000 0.637 57 G HN 0.443 8.733 8.290 0.000 0.000 0.505 58 Q N 0.266 120.079 119.800 0.022 0.000 2.237 58 Q HA 0.703 5.041 4.340 -0.003 0.000 0.219 58 Q C -0.203 175.779 176.000 -0.030 0.000 0.999 58 Q CA 0.099 55.912 55.803 0.016 0.000 0.959 58 Q CB 1.219 29.983 28.738 0.043 0.000 1.173 58 Q HN 0.283 8.553 8.270 0.000 0.000 0.527 59 S N 0.097 115.775 115.700 -0.036 0.000 2.599 59 S HA 0.689 5.157 4.470 -0.003 0.000 0.294 59 S C -0.603 173.956 174.600 -0.068 0.000 1.094 59 S CA -0.777 57.385 58.200 -0.064 0.000 0.931 59 S CB 1.098 64.257 63.200 -0.068 0.000 1.093 59 S HN 0.535 8.845 8.310 0.000 0.000 0.488 60 I N -1.270 119.256 120.570 -0.073 0.000 2.846 60 I HA 0.948 5.116 4.170 -0.003 0.000 0.307 60 I C 0.177 176.281 176.117 -0.022 0.000 1.053 60 I CA -1.157 60.106 61.300 -0.062 0.000 1.050 60 I CB 1.587 39.516 38.000 -0.119 0.000 1.239 60 I HN 0.662 8.872 8.210 0.000 0.000 0.439 61 G N 4.149 112.941 108.800 -0.014 0.000 2.389 61 G HA2 0.646 4.604 3.960 -0.003 0.000 0.317 61 G HA3 0.646 4.604 3.960 -0.003 0.000 0.317 61 G C -0.671 174.244 174.900 0.026 0.000 1.137 61 G CA -0.546 44.561 45.100 0.012 0.000 0.870 61 G HN 0.439 8.729 8.290 0.000 0.000 0.496 62 I N 1.777 122.406 120.570 0.097 0.000 2.436 62 I HA 0.323 4.491 4.170 -0.003 0.000 0.289 62 I C -0.217 175.947 176.117 0.077 0.000 1.010 62 I CA -0.776 60.569 61.300 0.076 0.000 1.098 62 I CB 1.792 39.870 38.000 0.130 0.000 1.266 62 I HN 0.319 8.529 8.210 0.000 0.000 0.434 63 I N 8.147 128.732 120.570 0.026 0.000 2.291 63 I HA 0.238 4.406 4.170 -0.003 0.000 0.290 63 I C -1.987 174.088 176.117 -0.069 0.000 1.050 63 I CA -1.627 59.667 61.300 -0.010 0.000 1.245 63 I CB 1.164 39.147 38.000 -0.028 0.000 1.405 63 I HN 0.250 8.460 8.210 0.000 0.000 0.478 64 P HA 0.264 4.684 4.420 0.000 0.000 0.274 64 P C -2.600 174.476 177.300 -0.374 0.000 1.231 64 P CA -1.372 61.490 63.100 -0.396 0.000 0.790 64 P CB 0.193 31.761 31.700 -0.221 0.000 0.951 65 P HA 0.357 4.777 4.420 0.000 0.000 0.276 65 P C 0.323 177.509 177.300 -0.191 0.000 1.252 65 P CA 0.504 63.429 63.100 -0.291 0.000 0.802 65 P CB 0.449 31.980 31.700 -0.282 0.000 1.035 66 G N -0.766 107.966 108.800 -0.114 0.000 2.549 66 G HA2 0.143 4.101 3.960 -0.003 0.000 0.404 66 G HA3 0.143 4.101 3.960 -0.003 0.000 0.404 66 G C -0.914 173.955 174.900 -0.051 0.000 1.292 66 G CA -0.295 44.762 45.100 -0.071 0.000 0.935 66 G HN 0.766 9.056 8.290 0.000 0.000 0.512 67 V N -1.963 117.932 119.914 -0.032 0.000 2.823 67 V HA 0.828 4.946 4.120 -0.003 0.000 0.312 67 V C 0.289 176.377 176.094 -0.010 0.000 1.072 67 V CA -0.011 62.277 62.300 -0.020 0.000 0.937 67 V CB 1.638 33.452 31.823 -0.015 0.000 1.013 67 V HN 1.415 9.605 8.190 0.000 0.000 0.430 68 D N 2.585 122.983 120.400 -0.004 0.000 2.356 68 D HA 0.145 4.783 4.640 -0.003 0.000 0.258 68 D C 1.061 177.365 176.300 0.007 0.000 1.279 68 D CA 0.003 54.007 54.000 0.006 0.000 1.016 68 D CB 0.396 41.201 40.800 0.009 0.000 1.107 68 D HN 0.788 9.158 8.370 0.000 0.000 0.544 69 K N -1.113 119.295 120.400 0.012 0.000 2.439 69 K HA -0.017 4.302 4.320 -0.003 0.000 0.197 69 K C 0.621 177.226 176.600 0.008 0.000 1.041 69 K CA 0.576 56.870 56.287 0.011 0.000 0.970 69 K CB -0.269 32.240 32.500 0.015 0.000 0.773 69 K HN 0.178 8.428 8.250 0.000 0.000 0.479 70 N N 0.525 119.229 118.700 0.007 0.000 2.299 70 N HA 0.029 4.768 4.740 -0.003 0.000 0.187 70 N C 0.793 176.304 175.510 0.002 0.000 1.099 70 N CA 0.960 54.013 53.050 0.005 0.000 0.867 70 N CB 1.199 39.689 38.487 0.005 0.000 0.974 70 N HN 0.556 8.936 8.380 0.000 0.000 0.477 71 G N 0.799 109.600 108.800 0.000 0.000 2.176 71 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.232 71 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.232 71 G C 0.028 174.925 174.900 -0.005 0.000 0.986 71 G CA -0.209 44.889 45.100 -0.003 0.000 0.643 71 G HN 0.140 8.430 8.290 0.000 0.000 0.522 72 K N 1.006 121.403 120.400 -0.004 0.000 2.185 72 K HA 0.412 4.731 4.320 -0.003 0.000 0.271 72 K C -2.457 174.136 176.600 -0.011 0.000 1.013 72 K CA -1.867 54.416 56.287 -0.006 0.000 0.943 72 K CB 0.922 33.420 32.500 -0.004 0.000 0.998 72 K HN 0.015 8.265 8.250 0.000 0.000 0.468 73 P HA -0.092 4.327 4.420 0.000 0.000 0.263 73 P C -0.337 176.951 177.300 -0.021 0.000 1.175 73 P CA 0.485 63.572 63.100 -0.022 0.000 0.761 73 P CB 0.389 32.076 31.700 -0.020 0.000 0.794 74 E N 3.683 123.865 120.200 -0.030 0.000 2.376 74 E HA 0.046 4.395 4.350 -0.003 0.000 0.266 74 E C 0.575 177.161 176.600 -0.023 0.000 1.009 74 E CA 0.263 56.647 56.400 -0.026 0.000 0.902 74 E CB 0.569 30.244 29.700 -0.043 0.000 0.972 74 E HN 0.346 8.706 8.360 0.000 0.000 0.439 75 R N 1.132 121.625 120.500 -0.011 0.000 2.574 75 R HA 0.343 4.682 4.340 -0.003 0.000 0.266 75 R C 0.340 176.639 176.300 -0.003 0.000 1.157 75 R CA -0.843 55.252 56.100 -0.008 0.000 1.187 75 R CB 0.037 30.334 30.300 -0.005 0.000 1.179 75 R HN 0.328 8.598 8.270 0.000 0.000 0.600 76 L N -1.034 120.188 121.223 -0.002 0.000 2.417 76 L HA 0.476 4.814 4.340 -0.003 0.000 0.268 76 L C -0.350 176.518 176.870 -0.003 0.000 1.158 76 L CA -0.336 54.509 54.840 0.008 0.000 0.819 76 L CB 0.489 42.550 42.059 0.003 0.000 1.112 76 L HN 0.248 8.478 8.230 0.000 0.000 0.458 77 R N 2.668 123.179 120.500 0.019 0.000 2.637 77 R HA 0.694 5.033 4.340 -0.003 0.000 0.291 77 R C -0.948 175.227 176.300 -0.209 0.000 0.963 77 R CA -0.577 55.471 56.100 -0.087 0.000 0.901 77 R CB 1.620 31.901 30.300 -0.031 0.000 1.160 77 R HN 0.707 8.977 8.270 0.000 0.000 0.457 78 L N 3.281 124.275 121.223 -0.382 0.000 2.350 78 L HA 0.444 4.782 4.340 -0.003 0.000 0.275 78 L C -0.810 175.592 176.870 -0.780 0.000 1.099 78 L CA -0.396 54.216 54.840 -0.380 0.000 0.808 78 L CB 0.572 42.473 42.059 -0.263 0.000 1.149 78 L HN 0.524 8.754 8.230 0.000 0.000 0.442 79 Y N 0.288 120.500 120.300 -0.146 0.000 2.421 79 Y HA 0.226 4.774 4.550 -0.003 0.000 0.339 79 Y C 0.332 176.142 175.900 -0.149 0.000 0.996 79 Y CA -0.681 57.323 58.100 -0.161 0.000 1.046 79 Y CB 2.127 40.520 38.460 -0.112 0.000 1.226 79 Y HN 0.453 8.733 8.280 0.000 0.000 0.445 80 S N 3.693 119.360 115.700 -0.055 0.000 2.552 80 S HA 0.214 4.683 4.470 -0.003 0.000 0.289 80 S C 0.185 174.748 174.600 -0.061 0.000 1.304 80 S CA -0.304 57.862 58.200 -0.056 0.000 1.063 80 S CB -0.030 63.147 63.200 -0.037 0.000 0.848 80 S HN 0.419 8.729 8.310 0.000 0.000 0.499 81 I N 2.538 123.039 120.570 -0.116 0.000 2.533 81 I HA 0.067 4.236 4.170 -0.003 0.000 0.284 81 I C 1.094 177.104 176.117 -0.178 0.000 1.109 81 I CA -0.084 61.110 61.300 -0.178 0.000 1.412 81 I CB 0.731 38.577 38.000 -0.258 0.000 1.396 81 I HN 0.792 9.002 8.210 0.000 0.000 0.543 82 A N 4.772 127.489 122.820 -0.172 0.000 2.348 82 A HA 0.177 4.496 4.320 -0.003 0.000 0.224 82 A C 0.781 178.211 177.584 -0.257 0.000 1.227 82 A CA 0.016 51.925 52.037 -0.214 0.000 0.885 82 A CB -0.069 18.858 19.000 -0.123 0.000 0.933 82 A HN 0.701 8.851 8.150 0.000 0.000 0.506 83 S N -0.337 115.273 115.700 -0.149 0.000 2.621 83 S HA 0.576 5.045 4.470 -0.003 0.000 0.302 83 S C 0.296 174.910 174.600 0.023 0.000 1.093 83 S CA 0.105 58.266 58.200 -0.065 0.000 1.017 83 S CB 1.005 64.248 63.200 0.072 0.000 1.077 83 S HN 0.570 8.880 8.310 0.000 0.000 0.517 84 T N -1.201 113.365 114.554 0.020 0.000 2.726 84 T HA 0.208 4.556 4.350 -0.003 0.000 0.294 84 T C 1.492 176.180 174.700 -0.019 0.000 1.013 84 T CA -0.372 61.730 62.100 0.004 0.000 0.996 84 T CB 0.187 69.065 68.868 0.018 0.000 1.016 84 T HN 0.889 9.129 8.240 0.000 0.000 0.529 85 R N 0.139 120.448 120.500 -0.319 0.000 2.211 85 R HA -0.173 4.165 4.340 -0.003 0.000 0.240 85 R C 1.460 177.388 176.300 -0.621 0.000 1.144 85 R CA 1.672 57.304 56.100 -0.780 0.000 0.992 85 R CB -0.784 29.076 30.300 -0.734 0.000 0.869 85 R HN 0.729 8.999 8.270 0.000 0.000 0.462 86 H N 0.347 119.327 119.070 -0.149 0.000 2.563 86 H HA 0.244 4.797 4.556 -0.004 0.000 0.264 86 H C 1.100 176.440 175.328 0.020 0.000 0.957 86 H CA 0.854 56.863 56.048 -0.065 0.000 1.173 86 H CB 0.437 30.183 29.762 -0.026 0.000 1.420 86 H HN 0.517 8.797 8.280 0.000 0.000 0.551 87 G N 1.132 110.040 108.800 0.179 0.000 2.781 87 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.683 87 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.683 87 G C 0.142 175.150 174.900 0.179 0.000 1.390 87 G CA -0.076 45.141 45.100 0.195 0.000 0.850 87 G HN 0.206 8.496 8.290 0.000 0.000 0.557 88 D N -0.021 120.482 120.400 0.171 0.000 2.218 88 D HA -0.023 4.615 4.640 -0.003 0.000 0.204 88 D C 1.649 178.042 176.300 0.154 0.000 0.976 88 D CA 1.505 55.618 54.000 0.188 0.000 0.853 88 D CB 0.070 40.992 40.800 0.203 0.000 0.939 88 D HN 0.515 8.885 8.370 0.000 0.000 0.481 89 D N -0.039 120.433 120.400 0.121 0.000 2.349 89 D HA 0.016 4.654 4.640 -0.003 0.000 0.214 89 D C 0.513 176.853 176.300 0.066 0.000 1.063 89 D CA 0.010 54.061 54.000 0.085 0.000 0.847 89 D CB 1.316 42.158 40.800 0.070 0.000 0.933 89 D HN -0.127 8.243 8.370 0.000 0.000 0.513 90 V N 2.491 122.458 119.914 0.088 0.000 5.820 90 V HA -0.261 3.858 4.120 -0.003 0.000 0.300 90 V C 0.481 176.580 176.094 0.009 0.000 0.585 90 V CA 1.463 63.792 62.300 0.049 0.000 0.629 90 V CB -1.838 29.976 31.823 -0.015 0.000 0.291 90 V HN 0.361 8.551 8.190 0.000 0.000 0.887 91 D N -1.948 118.483 120.400 0.053 0.000 2.500 91 D HA 0.160 4.798 4.640 -0.003 0.000 0.217 91 D C 0.511 176.847 176.300 0.060 0.000 1.159 91 D CA 0.352 54.375 54.000 0.038 0.000 0.828 91 D CB 0.185 41.009 40.800 0.040 0.000 1.039 91 D HN 0.513 8.883 8.370 0.000 0.000 0.512 92 D N 0.451 120.910 120.400 0.098 0.000 2.945 92 D HA -0.171 4.467 4.640 -0.003 0.000 0.225 92 D C 0.489 176.827 176.300 0.064 0.000 1.158 92 D CA 0.722 54.773 54.000 0.085 0.000 0.805 92 D CB -0.859 39.990 40.800 0.081 0.000 1.098 92 D HN 0.468 8.838 8.370 0.000 0.000 0.426 93 K N -0.574 119.876 120.400 0.083 0.000 2.402 93 K HA 0.088 4.406 4.320 -0.003 0.000 0.203 93 K C 0.898 177.567 176.600 0.116 0.000 1.077 93 K CA 0.532 56.869 56.287 0.083 0.000 1.051 93 K CB 1.302 33.845 32.500 0.072 0.000 0.907 93 K HN 0.321 8.571 8.250 0.000 0.000 0.554 94 T N -2.059 112.582 114.554 0.145 0.000 2.838 94 T HA 0.661 5.010 4.350 -0.003 0.000 0.292 94 T C -1.051 173.782 174.700 0.223 0.000 1.113 94 T CA -0.800 61.401 62.100 0.169 0.000 1.008 94 T CB 1.891 70.838 68.868 0.132 0.000 1.259 94 T HN 0.045 8.285 8.240 0.000 0.000 0.520 95 I N 0.363 121.042 120.570 0.183 0.000 2.802 95 I HA 0.641 4.810 4.170 -0.003 0.000 0.298 95 I C -1.265 174.905 176.117 0.088 0.000 1.176 95 I CA -0.508 60.843 61.300 0.085 0.000 1.025 95 I CB 2.278 40.207 38.000 -0.119 0.000 1.243 95 I HN 0.861 9.071 8.210 0.000 0.000 0.424 96 S N 6.385 122.070 115.700 -0.024 0.000 2.566 96 S HA 0.736 5.205 4.470 -0.003 0.000 0.298 96 S C -0.918 173.596 174.600 -0.143 0.000 1.083 96 S CA -0.648 57.472 58.200 -0.132 0.000 0.978 96 S CB 1.999 65.052 63.200 -0.245 0.000 1.073 96 S HN 0.414 8.724 8.310 0.000 0.000 0.491 97 L N 0.907 122.021 121.223 -0.182 0.000 2.333 97 L HA 0.647 4.986 4.340 -0.003 0.000 0.263 97 L C -0.847 175.938 176.870 -0.142 0.000 1.014 97 L CA -0.805 53.970 54.840 -0.108 0.000 0.820 97 L CB 1.949 43.992 42.059 -0.027 0.000 1.352 97 L HN 0.719 8.949 8.230 0.000 0.000 0.421 98 C N 2.939 122.233 119.300 -0.011 0.000 2.362 98 C HA 0.675 5.133 4.460 -0.003 0.000 0.309 98 C C -0.394 174.641 174.990 0.075 0.000 1.110 98 C CA -0.331 58.736 59.018 0.081 0.000 1.485 98 C CB -0.189 27.669 27.740 0.196 0.000 1.949 98 C HN 0.483 8.713 8.230 0.000 0.000 0.419 99 V N 6.839 126.754 119.914 0.001 0.000 2.384 99 V HA 0.531 4.649 4.120 -0.003 0.000 0.287 99 V C 0.207 176.316 176.094 0.024 0.000 1.020 99 V CA -0.493 61.804 62.300 -0.005 0.000 0.850 99 V CB 1.437 33.141 31.823 -0.198 0.000 0.987 99 V HN 0.797 8.987 8.190 0.000 0.000 0.436 100 R N 3.331 123.889 120.500 0.097 0.000 2.349 100 R HA 0.395 4.734 4.340 -0.003 0.000 0.299 100 R C 0.000 176.352 176.300 0.086 0.000 1.027 100 R CA -0.549 55.603 56.100 0.086 0.000 0.958 100 R CB 1.099 31.475 30.300 0.126 0.000 1.047 100 R HN 0.833 9.103 8.270 0.000 0.000 0.468 101 Q N 4.032 123.864 119.800 0.055 0.000 2.286 101 Q HA 0.101 4.440 4.340 -0.003 0.000 0.267 101 Q C -1.063 175.022 176.000 0.142 0.000 1.028 101 Q CA -0.369 55.482 55.803 0.081 0.000 0.901 101 Q CB 0.849 29.618 28.738 0.051 0.000 1.183 101 Q HN 0.484 8.754 8.270 0.000 0.000 0.392 102 L N 5.119 126.449 121.223 0.178 0.000 2.290 102 L HA 0.362 4.700 4.340 -0.003 0.000 0.284 102 L C -1.018 175.998 176.870 0.242 0.000 1.078 102 L CA 0.465 55.427 54.840 0.204 0.000 0.815 102 L CB 0.821 43.004 42.059 0.208 0.000 1.162 102 L HN 0.822 9.052 8.230 0.000 0.000 0.435 103 E N 3.914 124.244 120.200 0.216 0.000 2.392 103 E HA 0.557 4.906 4.350 -0.003 0.000 0.279 103 E C -1.575 175.115 176.600 0.150 0.000 0.964 103 E CA -0.759 55.688 56.400 0.080 0.000 0.777 103 E CB 1.534 31.223 29.700 -0.019 0.000 1.249 103 E HN 0.576 8.936 8.360 0.000 0.000 0.449 104 Y N -0.274 119.928 120.300 -0.163 0.000 2.942 104 Y HA 0.493 5.041 4.550 -0.003 0.000 0.254 104 Y C -0.941 174.842 175.900 -0.195 0.000 2.044 104 Y CA -1.183 56.839 58.100 -0.129 0.000 1.022 104 Y CB 0.144 38.562 38.460 -0.070 0.000 2.648 104 Y HN 0.656 8.936 8.280 0.000 0.000 0.369 105 K N 0.172 120.642 120.400 0.116 0.000 2.240 105 K HA 0.403 4.721 4.320 -0.003 0.000 0.237 105 K C 0.031 176.546 176.600 -0.142 0.000 1.027 105 K CA -0.445 55.832 56.287 -0.017 0.000 0.937 105 K CB 1.209 33.794 32.500 0.142 0.000 1.171 105 K HN 0.768 9.018 8.250 0.000 0.000 0.479 106 H N -0.342 118.735 119.070 0.013 0.000 2.415 106 H HA 0.029 4.583 4.556 -0.002 0.000 0.297 106 H C -1.083 174.255 175.328 0.016 0.000 1.048 106 H CA 0.434 56.480 56.048 -0.004 0.000 1.365 106 H CB -0.807 28.953 29.762 -0.004 0.000 1.421 106 H HN 0.517 8.797 8.280 0.000 0.000 0.533 107 P HA 0.086 4.506 4.420 0.000 0.000 0.238 107 P C -0.221 177.143 177.300 0.106 0.000 1.714 107 P CA 0.689 63.852 63.100 0.105 0.000 0.908 107 P CB -0.181 31.571 31.700 0.087 0.000 1.893 108 E N -0.322 119.937 120.200 0.099 0.000 3.914 108 E HA 0.097 4.445 4.350 -0.003 0.000 0.241 108 E C -0.894 175.733 176.600 0.046 0.000 1.127 108 E CA -0.324 56.145 56.400 0.115 0.000 1.369 108 E CB 0.241 30.114 29.700 0.288 0.000 1.231 108 E HN -0.005 8.355 8.360 0.000 0.000 0.396 109 S N -0.053 115.665 115.700 0.031 0.000 3.385 109 S HA -0.063 4.405 4.470 -0.003 0.000 0.613 109 S C 0.597 175.182 174.600 -0.024 0.000 0.653 109 S CA 1.376 59.582 58.200 0.009 0.000 1.401 109 S CB -0.761 62.447 63.200 0.013 0.000 1.031 109 S HN 1.016 9.326 8.310 0.000 0.000 0.883 110 G N 2.992 111.787 108.800 -0.008 0.000 2.964 110 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.229 110 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.229 110 G C 0.096 174.991 174.900 -0.009 0.000 1.395 110 G CA 0.947 46.035 45.100 -0.020 0.000 1.060 110 G HN 0.766 9.056 8.290 0.000 0.000 0.568 111 E N -1.497 118.650 120.200 -0.089 0.000 3.567 111 E HA 0.304 4.653 4.350 -0.003 0.000 0.207 111 E C -0.145 176.203 176.600 -0.420 0.000 1.278 111 E CA 0.650 56.959 56.400 -0.152 0.000 1.316 111 E CB 0.651 30.320 29.700 -0.053 0.000 2.414 111 E HN 0.437 8.797 8.360 0.000 0.000 0.544 112 T N 2.082 116.401 114.554 -0.392 0.000 2.770 112 T HA 0.457 4.805 4.350 -0.003 0.000 0.283 112 T C -0.611 173.675 174.700 -0.689 0.000 0.988 112 T CA -0.467 61.295 62.100 -0.563 0.000 0.957 112 T CB 1.726 70.273 68.868 -0.535 0.000 0.930 112 T HN 0.004 8.244 8.240 0.000 0.000 0.443 113 V N 4.128 123.532 119.914 -0.850 0.000 2.481 113 V HA 0.410 4.529 4.120 -0.003 0.000 0.286 113 V C -0.904 174.745 176.094 -0.741 0.000 1.042 113 V CA -0.881 60.946 62.300 -0.790 0.000 0.928 113 V CB 0.476 31.703 31.823 -0.994 0.000 0.986 113 V HN 0.751 8.941 8.190 0.000 0.000 0.462 114 Y N 1.851 122.056 120.300 -0.158 0.000 2.331 114 Y HA 0.612 5.160 4.550 -0.003 0.000 0.338 114 Y C 1.016 176.944 175.900 0.048 0.000 0.992 114 Y CA -0.514 57.570 58.100 -0.026 0.000 1.121 114 Y CB 1.483 39.949 38.460 0.010 0.000 1.184 114 Y HN 0.784 9.064 8.280 0.000 0.000 0.469 115 G N 1.759 110.717 108.800 0.263 0.000 2.380 115 G HA2 0.237 4.195 3.960 -0.003 0.000 0.242 115 G HA3 0.237 4.195 3.960 -0.003 0.000 0.242 115 G C 0.757 175.778 174.900 0.201 0.000 1.298 115 G CA -0.417 44.821 45.100 0.230 0.000 0.878 115 G HN 0.645 8.935 8.290 0.000 0.000 0.542 116 V N 2.172 122.183 119.914 0.163 0.000 2.237 116 V HA -0.217 3.901 4.120 -0.003 0.000 0.245 116 V C 2.868 179.062 176.094 0.167 0.000 1.046 116 V CA 2.135 64.516 62.300 0.135 0.000 1.007 116 V CB -0.761 31.112 31.823 0.083 0.000 0.638 116 V HN 0.872 9.062 8.190 0.000 0.000 0.445 117 C N 0.584 119.993 119.300 0.182 0.000 2.464 117 C HA -0.025 4.433 4.460 -0.003 0.000 0.278 117 C C 3.249 178.386 174.990 0.245 0.000 1.375 117 C CA 0.993 60.161 59.018 0.250 0.000 1.761 117 C CB -1.045 26.852 27.740 0.262 0.000 1.944 117 C HN 0.767 8.997 8.230 0.000 0.000 0.509 118 S N -0.841 114.982 115.700 0.205 0.000 2.425 118 S HA -0.094 4.374 4.470 -0.003 0.000 0.225 118 S C 1.625 176.254 174.600 0.048 0.000 1.024 118 S CA 1.746 60.019 58.200 0.121 0.000 0.951 118 S CB -0.822 62.481 63.200 0.171 0.000 0.796 118 S HN 0.599 8.909 8.310 0.000 0.000 0.498 119 T N 1.324 115.946 114.554 0.112 0.000 2.777 119 T HA -0.035 4.314 4.350 -0.003 0.000 0.266 119 T C 1.433 176.195 174.700 0.105 0.000 1.040 119 T CA 1.424 63.580 62.100 0.093 0.000 1.141 119 T CB -0.644 68.320 68.868 0.160 0.000 0.868 119 T HN 0.554 8.794 8.240 0.000 0.000 0.444 120 Y N 1.825 122.141 120.300 0.026 0.000 2.114 120 Y HA -0.136 4.412 4.550 -0.003 0.000 0.282 120 Y C 1.917 177.803 175.900 -0.023 0.000 1.165 120 Y CA 1.187 59.297 58.100 0.016 0.000 1.148 120 Y CB -0.649 37.822 38.460 0.018 0.000 0.972 120 Y HN 0.145 8.425 8.280 0.000 0.000 0.504 121 L N -0.526 120.538 121.223 -0.265 0.000 2.131 121 L HA -0.130 4.209 4.340 -0.003 0.000 0.206 121 L C 2.462 179.129 176.870 -0.338 0.000 1.087 121 L CA 1.649 56.241 54.840 -0.414 0.000 0.767 121 L CB -0.734 41.137 42.059 -0.313 0.000 0.917 121 L HN 0.387 8.617 8.230 0.000 0.000 0.441 122 T N -4.930 109.435 114.554 -0.316 0.000 3.072 122 T HA -0.140 4.208 4.350 -0.003 0.000 0.266 122 T C 1.027 175.428 174.700 -0.498 0.000 1.127 122 T CA 0.860 62.724 62.100 -0.393 0.000 1.107 122 T CB -0.390 68.217 68.868 -0.434 0.000 0.910 122 T HN 0.427 8.667 8.240 0.000 0.000 0.513 123 H N -0.487 118.504 119.070 -0.132 0.000 2.581 123 H HA 0.514 5.069 4.556 -0.003 0.000 0.275 123 H C -0.014 175.231 175.328 -0.139 0.000 1.126 123 H CA -0.722 55.258 56.048 -0.114 0.000 1.097 123 H CB 0.384 30.096 29.762 -0.084 0.000 1.626 123 H HN 0.322 8.602 8.280 0.000 0.000 0.565 124 I N 1.927 122.406 120.570 -0.151 0.000 2.474 124 I HA 0.030 4.199 4.170 -0.003 0.000 0.287 124 I C -0.018 176.019 176.117 -0.134 0.000 1.048 124 I CA -0.371 60.811 61.300 -0.197 0.000 1.383 124 I CB 0.660 38.435 38.000 -0.375 0.000 1.412 124 I HN 0.185 8.395 8.210 0.000 0.000 0.531 125 E N 8.009 128.154 120.200 -0.091 0.000 2.301 125 E HA 0.303 4.652 4.350 -0.003 0.000 0.275 125 E C -2.295 174.256 176.600 -0.082 0.000 1.030 125 E CA -1.687 54.671 56.400 -0.069 0.000 0.852 125 E CB 0.855 30.532 29.700 -0.039 0.000 1.060 125 E HN 0.372 8.732 8.360 0.000 0.000 0.401 126 P HA -0.065 4.355 4.420 0.000 0.000 0.263 126 P C 0.672 177.945 177.300 -0.045 0.000 1.175 126 P CA 1.121 64.178 63.100 -0.072 0.000 0.761 126 P CB 0.383 32.048 31.700 -0.059 0.000 0.794 127 G N 1.585 110.364 108.800 -0.036 0.000 2.258 127 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.233 127 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.233 127 G C 0.384 175.276 174.900 -0.012 0.000 1.006 127 G CA -0.047 45.042 45.100 -0.018 0.000 0.620 127 G HN 0.584 8.874 8.290 0.000 0.000 0.511 128 S N 1.619 117.310 115.700 -0.015 0.000 2.562 128 S HA 0.428 4.896 4.470 -0.003 0.000 0.281 128 S C 0.283 174.894 174.600 0.019 0.000 1.333 128 S CA -0.110 58.092 58.200 0.003 0.000 1.052 128 S CB 1.147 64.347 63.200 -0.001 0.000 0.884 128 S HN 0.485 8.795 8.310 0.000 0.000 0.506 129 E N 1.288 121.497 120.200 0.016 0.000 2.301 129 E HA 0.428 4.777 4.350 -0.003 0.000 0.275 129 E C -0.924 175.690 176.600 0.024 0.000 1.030 129 E CA -0.472 55.922 56.400 -0.011 0.000 0.852 129 E CB 1.048 30.720 29.700 -0.047 0.000 1.060 129 E HN 0.241 8.601 8.360 0.000 0.000 0.401 130 V N 2.953 122.852 119.914 -0.025 0.000 2.789 130 V HA 0.228 4.347 4.120 -0.003 0.000 0.311 130 V C -0.472 175.538 176.094 -0.139 0.000 1.073 130 V CA -1.045 61.252 62.300 -0.004 0.000 0.921 130 V CB 2.023 33.856 31.823 0.016 0.000 1.009 130 V HN 0.572 8.762 8.190 0.000 0.000 0.426 131 K N 4.412 124.759 120.400 -0.088 0.000 2.285 131 K HA 0.627 4.945 4.320 -0.003 0.000 0.286 131 K C -1.012 175.513 176.600 -0.124 0.000 1.072 131 K CA 0.001 56.216 56.287 -0.121 0.000 0.913 131 K CB 0.826 33.284 32.500 -0.069 0.000 1.067 131 K HN 0.497 8.747 8.250 0.000 0.000 0.479 132 I N 2.614 123.094 120.570 -0.150 0.000 2.465 132 I HA 0.225 4.393 4.170 -0.003 0.000 0.291 132 I C 0.177 176.280 176.117 -0.022 0.000 1.014 132 I CA -0.648 60.580 61.300 -0.121 0.000 1.093 132 I CB 2.155 40.064 38.000 -0.151 0.000 1.267 132 I HN 0.621 8.831 8.210 0.000 0.000 0.431 133 T N 1.555 116.115 114.554 0.010 0.000 2.924 133 T HA 0.958 5.307 4.350 -0.003 0.000 0.291 133 T C -0.007 174.735 174.700 0.070 0.000 1.045 133 T CA -0.258 61.894 62.100 0.086 0.000 1.015 133 T CB 2.260 71.169 68.868 0.068 0.000 1.103 133 T HN 1.129 9.369 8.240 0.000 0.000 0.496 134 G N 1.161 110.028 108.800 0.111 0.000 2.297 134 G HA2 0.210 4.168 3.960 -0.003 0.000 0.209 134 G HA3 0.210 4.168 3.960 -0.003 0.000 0.209 134 G C -3.207 171.747 174.900 0.090 0.000 1.267 134 G CA -0.417 44.723 45.100 0.066 0.000 1.127 134 G HN 0.830 9.120 8.290 0.000 0.000 0.498 135 P HA 0.516 4.936 4.420 0.000 0.000 0.274 135 P C -0.072 177.242 177.300 0.024 0.000 1.246 135 P CA 0.314 63.435 63.100 0.035 0.000 0.795 135 P CB 1.572 33.312 31.700 0.067 0.000 1.006 136 V N -3.683 116.237 119.914 0.010 0.000 2.962 136 V HA 0.963 5.081 4.120 -0.003 0.000 0.313 136 V C -0.353 175.750 176.094 0.014 0.000 1.099 136 V CA -0.372 61.934 62.300 0.010 0.000 0.971 136 V CB 1.129 32.952 31.823 0.000 0.000 1.028 136 V HN 1.043 9.233 8.190 0.000 0.000 0.430 137 G N 2.509 111.323 108.800 0.023 0.000 3.226 137 G HA2 0.016 3.974 3.960 -0.003 0.000 0.685 137 G HA3 0.016 3.974 3.960 -0.003 0.000 0.685 137 G C -0.656 174.274 174.900 0.051 0.000 1.207 137 G CA -0.172 44.951 45.100 0.038 0.000 0.877 137 G HN 1.082 9.372 8.290 0.000 0.000 0.585 138 K N 0.541 120.978 120.400 0.063 0.000 2.533 138 K HA 0.186 4.505 4.320 -0.003 0.000 0.202 138 K C 1.231 177.901 176.600 0.116 0.000 1.096 138 K CA 0.179 56.511 56.287 0.075 0.000 1.056 138 K CB 1.256 33.790 32.500 0.056 0.000 0.890 138 K HN 0.451 8.701 8.250 0.000 0.000 0.552 139 E N 0.584 120.864 120.200 0.134 0.000 2.400 139 E HA 0.083 4.432 4.350 -0.003 0.000 0.195 139 E C 0.959 177.747 176.600 0.313 0.000 1.012 139 E CA 0.808 57.321 56.400 0.188 0.000 0.875 139 E CB 0.472 30.256 29.700 0.140 0.000 0.859 139 E HN 0.009 8.369 8.360 0.000 0.000 0.498 140 M N 1.176 120.924 119.600 0.247 0.000 2.692 140 M HA 0.284 4.763 4.480 -0.003 0.000 0.372 140 M C -0.692 175.730 176.300 0.204 0.000 1.192 140 M CA -0.129 55.342 55.300 0.285 0.000 0.928 140 M CB 0.309 33.068 32.600 0.265 0.000 1.366 140 M HN 0.005 8.295 8.290 0.000 0.000 0.517 141 L N 0.753 122.051 121.223 0.125 0.000 2.418 141 L HA 0.410 4.748 4.340 -0.003 0.000 0.265 141 L C -0.046 176.755 176.870 -0.115 0.000 1.143 141 L CA -0.794 54.062 54.840 0.026 0.000 0.809 141 L CB 0.774 42.856 42.059 0.038 0.000 1.124 141 L HN 0.097 8.327 8.230 0.000 0.000 0.456 142 L N 4.587 125.672 121.223 -0.230 0.000 2.292 142 L HA 0.467 4.806 4.340 -0.003 0.000 0.284 142 L C -1.969 174.737 176.870 -0.274 0.000 1.065 142 L CA -1.408 53.190 54.840 -0.402 0.000 0.806 142 L CB 0.695 42.444 42.059 -0.518 0.000 1.175 142 L HN 0.349 8.579 8.230 0.000 0.000 0.431 143 P HA 0.058 4.478 4.420 0.000 0.000 0.268 143 P C -0.604 176.635 177.300 -0.102 0.000 1.205 143 P CA -0.114 62.871 63.100 -0.191 0.000 0.771 143 P CB 0.739 32.250 31.700 -0.316 0.000 0.858 144 D N 0.363 120.739 120.400 -0.040 0.000 2.352 144 D HA -0.048 4.591 4.640 -0.003 0.000 0.232 144 D C 0.083 176.508 176.300 0.207 0.000 1.055 144 D CA 0.662 54.681 54.000 0.031 0.000 0.891 144 D CB -0.034 40.771 40.800 0.009 0.000 0.897 144 D HN 0.431 8.800 8.370 0.000 0.000 0.529 145 D N 0.560 121.068 120.400 0.179 0.000 2.336 145 D HA 0.067 4.705 4.640 -0.003 0.000 0.249 145 D C -1.793 174.646 176.300 0.231 0.000 1.213 145 D CA -1.923 52.180 54.000 0.172 0.000 0.870 145 D CB 1.581 42.459 40.800 0.130 0.000 1.076 145 D HN -0.084 8.286 8.370 0.000 0.000 0.483 146 P HA -0.015 4.405 4.420 0.000 0.000 0.230 146 P C 0.037 177.212 177.300 -0.208 0.000 1.158 146 P CA 0.753 63.794 63.100 -0.097 0.000 0.769 146 P CB 0.283 31.859 31.700 -0.207 0.000 0.807 147 E N -0.910 119.245 120.200 -0.075 0.000 2.501 147 E HA 0.286 4.634 4.350 -0.003 0.000 0.200 147 E C 0.373 176.989 176.600 0.028 0.000 1.016 147 E CA -0.422 55.916 56.400 -0.102 0.000 0.921 147 E CB 0.309 29.981 29.700 -0.047 0.000 1.034 147 E HN 0.115 8.475 8.360 0.000 0.000 0.468 148 A N 1.584 124.498 122.820 0.157 0.000 2.445 148 A HA 0.163 4.481 4.320 -0.003 0.000 0.242 148 A C -0.085 177.717 177.584 0.363 0.000 1.075 148 A CA -0.114 52.090 52.037 0.279 0.000 0.777 148 A CB 0.068 19.249 19.000 0.301 0.000 1.013 148 A HN 0.190 8.341 8.150 0.000 0.000 0.493 149 N N -0.271 118.643 118.700 0.356 0.000 2.498 149 N HA 0.498 5.237 4.740 -0.003 0.000 0.287 149 N C -1.291 174.454 175.510 0.392 0.000 1.097 149 N CA -0.481 52.816 53.050 0.411 0.000 0.973 149 N CB 1.686 40.404 38.487 0.386 0.000 1.153 149 N HN 0.317 8.697 8.380 0.000 0.000 0.472 150 V N 3.155 123.278 119.914 0.348 0.000 2.419 150 V HA 0.324 4.442 4.120 -0.003 0.000 0.287 150 V C -0.293 175.945 176.094 0.240 0.000 1.017 150 V CA -0.563 61.901 62.300 0.274 0.000 0.844 150 V CB 0.750 32.635 31.823 0.103 0.000 1.011 150 V HN 0.590 8.780 8.190 0.000 0.000 0.429 151 I N 5.450 126.171 120.570 0.253 0.000 2.365 151 I HA 0.472 4.640 4.170 -0.003 0.000 0.291 151 I C -0.081 176.133 176.117 0.162 0.000 1.004 151 I CA -0.034 61.369 61.300 0.171 0.000 1.311 151 I CB 1.379 39.448 38.000 0.115 0.000 1.401 151 I HN 0.465 8.675 8.210 0.000 0.000 0.491 152 M N 7.638 127.304 119.600 0.109 0.000 2.142 152 M HA 0.460 4.938 4.480 -0.003 0.000 0.299 152 M C -1.202 175.129 176.300 0.051 0.000 0.960 152 M CA -0.288 55.088 55.300 0.127 0.000 0.920 152 M CB 1.806 34.499 32.600 0.156 0.000 1.541 152 M HN 0.354 8.644 8.290 0.000 0.000 0.429 153 L N 3.359 124.609 121.223 0.045 0.000 2.324 153 L HA 0.855 5.193 4.340 -0.003 0.000 0.274 153 L C -0.369 176.549 176.870 0.080 0.000 1.012 153 L CA -0.578 54.283 54.840 0.034 0.000 0.859 153 L CB 1.106 43.160 42.059 -0.007 0.000 1.224 153 L HN 0.768 8.998 8.230 0.000 0.000 0.429 154 A N 1.956 124.859 122.820 0.140 0.000 2.401 154 A HA 0.924 5.242 4.320 -0.003 0.000 0.310 154 A C -0.232 177.551 177.584 0.332 0.000 1.075 154 A CA -0.517 51.627 52.037 0.178 0.000 0.746 154 A CB 1.871 20.917 19.000 0.077 0.000 1.277 154 A HN 0.562 8.712 8.150 0.000 0.000 0.425 155 T N -0.806 113.907 114.554 0.266 0.000 2.886 155 T HA 0.693 5.041 4.350 -0.003 0.000 0.292 155 T C 0.769 175.641 174.700 0.286 0.000 1.012 155 T CA 0.356 62.617 62.100 0.269 0.000 0.982 155 T CB 1.112 70.054 68.868 0.123 0.000 1.018 155 T HN 2.603 10.843 8.240 0.000 0.000 0.451 156 G N 3.114 112.101 108.800 0.312 0.000 2.596 156 G HA2 -0.392 3.567 3.960 -0.003 0.000 0.304 156 G HA3 -0.392 3.567 3.960 -0.003 0.000 0.304 156 G C 1.131 176.246 174.900 0.359 0.000 1.189 156 G CA 1.459 46.715 45.100 0.261 0.000 0.986 156 G HN 1.959 10.249 8.290 0.000 0.000 0.548 157 T N -0.599 114.118 114.554 0.271 0.000 3.148 157 T HA 0.369 4.718 4.350 -0.003 0.000 0.253 157 T C 2.247 177.107 174.700 0.267 0.000 1.134 157 T CA 1.302 63.568 62.100 0.277 0.000 1.051 157 T CB 0.043 69.088 68.868 0.294 0.000 0.959 157 T HN 1.651 9.890 8.240 0.000 0.000 0.525 158 G N 1.403 110.342 108.800 0.232 0.000 2.625 158 G HA2 -0.032 3.926 3.960 -0.003 0.000 0.214 158 G HA3 -0.032 3.926 3.960 -0.003 0.000 0.214 158 G C 1.181 176.112 174.900 0.052 0.000 1.132 158 G CA 0.224 45.417 45.100 0.155 0.000 0.782 158 G HN 0.541 8.831 8.290 0.000 0.000 0.538 159 I N 1.180 121.763 120.570 0.022 0.000 2.700 159 I HA 0.027 4.196 4.170 -0.003 0.000 0.261 159 I C 2.739 178.738 176.117 -0.198 0.000 1.219 159 I CA 0.780 61.951 61.300 -0.215 0.000 1.463 159 I CB -0.076 37.723 38.000 -0.335 0.000 1.092 159 I HN 0.170 8.380 8.210 0.000 0.000 0.452 160 A N 1.995 124.761 122.820 -0.090 0.000 1.851 160 A HA -0.098 4.221 4.320 -0.003 0.000 0.216 160 A C 0.136 177.517 177.584 -0.337 0.000 1.195 160 A CA 2.028 53.968 52.037 -0.162 0.000 0.622 160 A CB -2.239 16.736 19.000 -0.042 0.000 0.831 160 A HN 0.417 8.567 8.150 0.000 0.000 0.444 161 P HA -0.152 4.268 4.420 0.000 0.000 0.218 161 P C 1.388 178.012 177.300 -1.127 0.000 1.149 161 P CA 1.201 63.936 63.100 -0.608 0.000 0.817 161 P CB -0.262 31.224 31.700 -0.358 0.000 0.785 162 M N -0.377 118.808 119.600 -0.693 0.000 2.159 162 M HA -0.086 4.393 4.480 -0.003 0.000 0.263 162 M C 2.379 178.366 176.300 -0.521 0.000 1.063 162 M CA 1.387 56.368 55.300 -0.531 0.000 1.110 162 M CB -1.731 30.731 32.600 -0.230 0.000 1.374 162 M HN -0.015 8.275 8.290 0.000 0.000 0.411 163 R N 0.590 120.715 120.500 -0.625 0.000 2.115 163 R HA -0.129 4.210 4.340 -0.003 0.000 0.230 163 R C 2.224 178.047 176.300 -0.794 0.000 1.111 163 R CA 2.002 57.569 56.100 -0.889 0.000 0.976 163 R CB -0.173 29.382 30.300 -1.242 0.000 0.870 163 R HN 0.556 8.826 8.270 0.000 0.000 0.445 164 T N -1.709 112.437 114.554 -0.679 0.000 2.857 164 T HA -0.112 4.236 4.350 -0.003 0.000 0.266 164 T C 1.626 176.167 174.700 -0.265 0.000 1.048 164 T CA 0.905 62.730 62.100 -0.458 0.000 1.139 164 T CB -0.383 68.227 68.868 -0.429 0.000 0.874 164 T HN 0.215 8.455 8.240 0.000 0.000 0.455 165 Y N 1.574 121.709 120.300 -0.275 0.000 2.163 165 Y HA 0.283 4.830 4.550 -0.003 0.000 0.288 165 Y C 2.481 178.234 175.900 -0.244 0.000 1.136 165 Y CA -0.291 57.622 58.100 -0.311 0.000 1.147 165 Y CB -1.112 37.102 38.460 -0.409 0.000 0.987 165 Y HN 0.172 8.452 8.280 0.000 0.000 0.509 166 L N -1.874 119.363 121.223 0.024 0.000 2.093 166 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 166 L C 2.473 179.486 176.870 0.238 0.000 1.085 166 L CA 1.178 56.080 54.840 0.104 0.000 0.755 166 L CB -0.516 41.664 42.059 0.202 0.000 0.904 166 L HN 0.386 8.616 8.230 0.000 0.000 0.435 167 W N 0.240 121.440 121.300 -0.166 0.000 2.381 167 W HA -0.198 4.460 4.660 -0.004 0.000 0.301 167 W C 2.842 179.297 176.519 -0.107 0.000 1.205 167 W CA 0.575 57.852 57.345 -0.113 0.000 1.285 167 W CB -0.119 29.273 29.460 -0.113 0.000 1.133 167 W HN 0.166 8.346 8.180 0.000 0.000 0.521 168 R N 0.365 120.936 120.500 0.119 0.000 2.096 168 R HA -0.187 4.151 4.340 -0.003 0.000 0.235 168 R C 2.162 178.450 176.300 -0.020 0.000 1.127 168 R CA 1.728 57.850 56.100 0.037 0.000 0.968 168 R CB -0.458 29.813 30.300 -0.048 0.000 0.861 168 R HN 0.124 8.394 8.270 0.000 0.000 0.440 169 M N -1.143 118.308 119.600 -0.248 0.000 2.200 169 M HA -0.043 4.435 4.480 -0.003 0.000 0.265 169 M C 0.742 176.525 176.300 -0.862 0.000 1.066 169 M CA 1.542 56.414 55.300 -0.713 0.000 1.127 169 M CB 0.270 31.957 32.600 -1.522 0.000 1.379 169 M HN 0.132 8.422 8.290 0.000 0.000 0.420 170 F N -1.402 118.416 119.950 -0.220 0.000 2.831 170 F HA 0.265 4.791 4.527 -0.002 0.000 0.334 170 F C 0.477 176.163 175.800 -0.190 0.000 1.071 170 F CA -0.599 57.183 58.000 -0.364 0.000 1.172 170 F CB 0.225 38.933 39.000 -0.487 0.000 1.054 170 F HN -0.327 7.973 8.300 0.000 0.000 0.572 171 K N 1.834 122.202 120.400 -0.053 0.000 2.350 171 K HA 0.036 4.355 4.320 -0.003 0.000 0.279 171 K C 0.520 177.117 176.600 -0.005 0.000 1.027 171 K CA 0.120 56.348 56.287 -0.100 0.000 0.969 171 K CB 0.812 33.203 32.500 -0.181 0.000 0.954 171 K HN 0.038 8.288 8.250 0.000 0.000 0.474 172 D N 2.078 122.483 120.400 0.009 0.000 2.117 172 D HA -0.153 4.485 4.640 -0.003 0.000 0.197 172 D C 1.508 177.814 176.300 0.010 0.000 0.987 172 D CA 1.425 55.444 54.000 0.031 0.000 0.829 172 D CB 0.210 41.024 40.800 0.022 0.000 0.961 172 D HN 0.635 9.005 8.370 0.000 0.000 0.460 173 A N 1.029 123.844 122.820 -0.008 0.000 1.968 173 A HA -0.133 4.186 4.320 -0.003 0.000 0.217 173 A C 2.044 179.616 177.584 -0.021 0.000 1.169 173 A CA 0.982 53.009 52.037 -0.016 0.000 0.638 173 A CB -0.135 18.855 19.000 -0.017 0.000 0.812 173 A HN 0.025 8.175 8.150 0.000 0.000 0.446 174 E N 0.248 120.453 120.200 0.008 0.000 2.047 174 E HA -0.145 4.204 4.350 -0.003 0.000 0.191 174 E C 2.178 178.801 176.600 0.039 0.000 0.987 174 E CA 0.897 57.322 56.400 0.041 0.000 0.799 174 E CB -0.335 29.413 29.700 0.081 0.000 0.752 174 E HN 0.586 8.946 8.360 0.000 0.000 0.449 175 R N 0.388 120.909 120.500 0.033 0.000 2.120 175 R HA -0.052 4.286 4.340 -0.003 0.000 0.234 175 R C 2.170 178.485 176.300 0.025 0.000 1.123 175 R CA 1.097 57.219 56.100 0.037 0.000 0.975 175 R CB -0.194 30.131 30.300 0.042 0.000 0.866 175 R HN 0.064 8.334 8.270 0.000 0.000 0.446 176 A N 0.500 123.324 122.820 0.007 0.000 2.067 176 A HA 0.103 4.422 4.320 -0.003 0.000 0.217 176 A C 2.069 179.637 177.584 -0.027 0.000 1.156 176 A CA 1.190 53.223 52.037 -0.007 0.000 0.683 176 A CB -0.043 18.949 19.000 -0.013 0.000 0.808 176 A HN 0.345 8.495 8.150 0.000 0.000 0.455 177 A N -0.373 122.416 122.820 -0.051 0.000 2.095 177 A HA 0.144 4.463 4.320 -0.003 0.000 0.212 177 A C 0.469 178.038 177.584 -0.024 0.000 1.162 177 A CA 0.125 52.092 52.037 -0.116 0.000 0.753 177 A CB 0.059 18.862 19.000 -0.327 0.000 0.840 177 A HN 0.397 8.547 8.150 0.000 0.000 0.468 178 N N 0.432 119.161 118.700 0.049 0.000 2.898 178 N HA 0.259 4.997 4.740 -0.003 0.000 0.245 178 N C -2.571 172.993 175.510 0.089 0.000 1.185 178 N CA -1.217 51.896 53.050 0.106 0.000 0.879 178 N CB 1.133 39.719 38.487 0.166 0.000 1.157 178 N HN 0.052 8.432 8.380 0.000 0.000 0.503 179 P HA -0.075 4.345 4.420 0.000 0.000 0.218 179 P C 1.093 178.426 177.300 0.055 0.000 1.149 179 P CA 1.050 64.176 63.100 0.044 0.000 0.817 179 P CB 0.612 32.329 31.700 0.028 0.000 0.785 180 E N -1.988 118.258 120.200 0.077 0.000 2.274 180 E HA -0.114 4.235 4.350 -0.003 0.000 0.194 180 E C 0.049 176.738 176.600 0.149 0.000 0.996 180 E CA 0.713 57.166 56.400 0.089 0.000 0.840 180 E CB -0.083 29.666 29.700 0.081 0.000 0.772 180 E HN 0.344 8.704 8.360 0.000 0.000 0.491 181 Y N 1.792 122.097 120.300 0.008 0.000 2.555 181 Y HA 0.149 4.698 4.550 -0.002 0.000 0.326 181 Y C -0.771 175.136 175.900 0.012 0.000 0.984 181 Y CA -0.712 57.394 58.100 0.010 0.000 1.298 181 Y CB 0.553 39.011 38.460 -0.003 0.000 1.094 181 Y HN -0.263 8.017 8.280 0.000 0.000 0.500 182 Q N 6.836 126.490 119.800 -0.243 0.000 2.462 182 Q HA 0.153 4.492 4.340 -0.003 0.000 0.247 182 Q C -1.028 174.753 176.000 -0.365 0.000 1.044 182 Q CA -0.672 54.994 55.803 -0.228 0.000 0.803 182 Q CB 1.328 30.006 28.738 -0.100 0.000 1.190 182 Q HN 0.721 8.991 8.270 0.000 0.000 0.507 183 F N 3.420 122.970 119.950 -0.667 0.000 2.538 183 F HA 0.006 4.531 4.527 -0.003 0.000 0.371 183 F C 0.940 176.572 175.800 -0.280 0.000 1.087 183 F CA 0.554 58.173 58.000 -0.634 0.000 1.250 183 F CB 0.516 39.086 39.000 -0.716 0.000 1.110 183 F HN 0.367 8.667 8.300 0.000 0.000 0.570 184 K N 3.692 123.533 120.400 -0.931 0.000 2.665 184 K HA 0.387 4.706 4.320 -0.003 0.000 0.194 184 K C 0.409 176.614 176.600 -0.657 0.000 1.135 184 K CA -0.214 55.727 56.287 -0.577 0.000 1.089 184 K CB 0.085 32.425 32.500 -0.267 0.000 0.817 184 K HN 0.667 8.917 8.250 0.000 0.000 0.506 185 G N 0.973 108.958 108.800 -1.359 0.000 2.582 185 G HA2 0.365 4.323 3.960 -0.003 0.000 0.232 185 G HA3 0.365 4.323 3.960 -0.003 0.000 0.232 185 G C -1.181 173.693 174.900 -0.043 0.000 1.458 185 G CA -0.512 44.236 45.100 -0.587 0.000 1.062 185 G HN 0.199 8.489 8.290 0.000 0.000 0.566 186 F N 0.829 120.896 119.950 0.196 0.000 2.520 186 F HA 0.626 5.152 4.527 -0.002 0.000 0.322 186 F C 0.004 176.122 175.800 0.529 0.000 1.103 186 F CA -1.213 56.995 58.000 0.347 0.000 0.926 186 F CB 2.190 41.309 39.000 0.199 0.000 1.154 186 F HN 0.531 8.831 8.300 0.000 0.000 0.453 187 S N 4.880 120.449 115.700 -0.219 0.000 2.548 187 S HA 0.659 5.128 4.470 -0.003 0.000 0.286 187 S C -1.987 172.397 174.600 -0.360 0.000 1.098 187 S CA -0.611 57.529 58.200 -0.102 0.000 0.930 187 S CB 1.971 65.322 63.200 0.251 0.000 1.070 187 S HN 0.793 9.103 8.310 0.000 0.000 0.480 188 W N 3.797 124.902 121.300 -0.325 0.000 2.756 188 W HA 0.590 5.248 4.660 -0.003 0.000 0.333 188 W C -2.262 174.207 176.519 -0.084 0.000 1.025 188 W CA -1.731 55.428 57.345 -0.311 0.000 1.246 188 W CB 1.480 30.817 29.460 -0.204 0.000 1.358 188 W HN 0.742 8.922 8.180 0.000 0.000 0.444 189 L N 7.264 128.660 121.223 0.289 0.000 2.272 189 L HA 0.635 4.974 4.340 -0.003 0.000 0.289 189 L C -1.170 175.792 176.870 0.154 0.000 1.032 189 L CA -0.502 54.465 54.840 0.212 0.000 0.810 189 L CB 1.454 43.706 42.059 0.322 0.000 1.205 189 L HN 0.089 8.319 8.230 0.000 0.000 0.422 190 V N 6.312 126.255 119.914 0.048 0.000 2.328 190 V HA 0.375 4.493 4.120 -0.003 0.000 0.278 190 V C -0.610 175.642 176.094 0.264 0.000 1.021 190 V CA -0.410 61.941 62.300 0.086 0.000 0.838 190 V CB 0.855 32.632 31.823 -0.078 0.000 0.999 190 V HN 0.597 8.787 8.190 0.000 0.000 0.447 191 F N 4.080 124.125 119.950 0.159 0.000 2.427 191 F HA 0.801 5.326 4.527 -0.002 0.000 0.348 191 F C 0.509 176.435 175.800 0.211 0.000 1.125 191 F CA -1.647 56.479 58.000 0.211 0.000 0.989 191 F CB 1.558 40.746 39.000 0.314 0.000 1.165 191 F HN 0.513 8.813 8.300 0.000 0.000 0.442 192 G N 5.787 114.721 108.800 0.224 0.000 2.347 192 G HA2 0.575 4.534 3.960 -0.003 0.000 0.314 192 G HA3 0.575 4.534 3.960 -0.003 0.000 0.314 192 G C -1.389 173.392 174.900 -0.199 0.000 1.126 192 G CA -0.470 44.642 45.100 0.020 0.000 0.929 192 G HN 0.823 9.113 8.290 0.000 0.000 0.441 193 V N 0.541 120.294 119.914 -0.269 0.000 3.159 193 V HA 0.702 4.820 4.120 -0.003 0.000 0.308 193 V C -2.199 173.796 176.094 -0.164 0.000 1.190 193 V CA -1.961 60.167 62.300 -0.287 0.000 1.037 193 V CB 2.274 33.788 31.823 -0.515 0.000 1.060 193 V HN 0.399 8.589 8.190 0.000 0.000 0.437 194 P HA 0.099 4.519 4.420 0.000 0.000 0.221 194 P C 0.536 177.776 177.300 -0.099 0.000 1.155 194 P CA 1.483 64.536 63.100 -0.078 0.000 0.812 194 P CB 0.314 31.996 31.700 -0.030 0.000 0.801 195 T N -5.724 108.760 114.554 -0.117 0.000 2.841 195 T HA 0.370 4.718 4.350 -0.003 0.000 0.296 195 T C 0.920 175.527 174.700 -0.155 0.000 1.166 195 T CA -0.327 61.706 62.100 -0.112 0.000 1.007 195 T CB 1.050 69.873 68.868 -0.075 0.000 1.253 195 T HN -0.322 7.918 8.240 0.000 0.000 0.511 196 T N 1.981 116.449 114.554 -0.143 0.000 2.821 196 T HA 0.088 4.436 4.350 -0.003 0.000 0.267 196 T C -0.936 173.683 174.700 -0.135 0.000 1.046 196 T CA 1.371 63.367 62.100 -0.173 0.000 1.139 196 T CB -1.050 67.742 68.868 -0.126 0.000 0.871 196 T HN 0.606 8.846 8.240 0.000 0.000 0.454 197 P HA 0.050 4.470 4.420 0.000 0.000 0.234 197 P C 0.407 177.661 177.300 -0.076 0.000 1.167 197 P CA 0.889 63.948 63.100 -0.069 0.000 0.763 197 P CB -0.263 31.408 31.700 -0.047 0.000 0.835 198 N N -0.617 118.021 118.700 -0.103 0.000 2.280 198 N HA 0.124 4.862 4.740 -0.003 0.000 0.192 198 N C 0.424 175.853 175.510 -0.135 0.000 1.109 198 N CA -0.142 52.845 53.050 -0.105 0.000 0.855 198 N CB -0.259 38.162 38.487 -0.110 0.000 0.974 198 N HN 0.116 8.496 8.380 0.000 0.000 0.482 199 I N 2.402 122.878 120.570 -0.156 0.000 2.573 199 I HA -0.022 4.146 4.170 -0.003 0.000 0.295 199 I C -0.181 176.003 176.117 0.111 0.000 1.141 199 I CA -0.020 61.228 61.300 -0.088 0.000 1.364 199 I CB -0.143 37.758 38.000 -0.165 0.000 1.447 199 I HN -0.016 8.194 8.210 0.000 0.000 0.571 200 L N 7.903 129.269 121.223 0.238 0.000 2.513 200 L HA -0.001 4.338 4.340 -0.003 0.000 0.272 200 L C 0.135 177.079 176.870 0.123 0.000 1.187 200 L CA -0.168 54.676 54.840 0.006 0.000 0.895 200 L CB -0.453 41.611 42.059 0.008 0.000 1.147 200 L HN 0.587 8.818 8.230 0.000 0.000 0.483 201 Y N 0.762 121.165 120.300 0.173 0.000 3.929 201 Y HA -0.319 4.229 4.550 -0.002 0.000 0.225 201 Y C 1.650 177.697 175.900 0.244 0.000 1.200 201 Y CA 0.947 59.160 58.100 0.188 0.000 1.791 201 Y CB -1.917 36.655 38.460 0.187 0.000 1.561 201 Y HN 0.640 8.920 8.280 0.000 0.000 0.657 202 K N 0.677 121.246 120.400 0.282 0.000 2.044 202 K HA -0.270 4.049 4.320 -0.003 0.000 0.210 202 K C 1.502 178.256 176.600 0.258 0.000 1.049 202 K CA 2.301 58.755 56.287 0.278 0.000 0.927 202 K CB 0.025 32.612 32.500 0.146 0.000 0.713 202 K HN 0.503 8.753 8.250 0.000 0.000 0.443 203 E N 0.538 120.854 120.200 0.195 0.000 2.106 203 E HA -0.136 4.212 4.350 -0.003 0.000 0.192 203 E C 1.787 178.473 176.600 0.144 0.000 0.984 203 E CA 1.433 57.920 56.400 0.146 0.000 0.806 203 E CB 0.074 29.836 29.700 0.103 0.000 0.750 203 E HN 0.416 8.776 8.360 0.000 0.000 0.458 204 E N 0.050 120.364 120.200 0.189 0.000 2.158 204 E HA -0.045 4.304 4.350 -0.003 0.000 0.191 204 E C 1.977 178.626 176.600 0.081 0.000 0.982 204 E CA 0.377 56.834 56.400 0.096 0.000 0.823 204 E CB 0.022 29.822 29.700 0.167 0.000 0.766 204 E HN 0.221 8.581 8.360 0.000 0.000 0.468 205 L N 0.859 122.248 121.223 0.277 0.000 2.056 205 L HA -0.158 4.181 4.340 -0.003 0.000 0.207 205 L C 2.146 179.189 176.870 0.287 0.000 1.078 205 L CA 1.207 56.236 54.840 0.315 0.000 0.749 205 L CB -0.232 42.106 42.059 0.465 0.000 0.901 205 L HN 0.099 8.329 8.230 0.000 0.000 0.433 206 E N -0.455 119.896 120.200 0.252 0.000 2.285 206 E HA -0.194 4.155 4.350 -0.003 0.000 0.194 206 E C 1.941 178.612 176.600 0.118 0.000 0.997 206 E CA 0.359 56.880 56.400 0.202 0.000 0.845 206 E CB 0.143 29.962 29.700 0.199 0.000 0.782 206 E HN 0.418 8.778 8.360 0.000 0.000 0.491 207 E N 1.002 121.244 120.200 0.070 0.000 2.107 207 E HA -0.152 4.197 4.350 -0.003 0.000 0.191 207 E C 2.024 178.620 176.600 -0.007 0.000 0.982 207 E CA 0.574 56.981 56.400 0.012 0.000 0.809 207 E CB 0.099 29.783 29.700 -0.026 0.000 0.756 207 E HN 0.243 8.603 8.360 0.000 0.000 0.459 208 I N 0.990 121.542 120.570 -0.030 0.000 2.226 208 I HA -0.268 3.900 4.170 -0.003 0.000 0.245 208 I C 2.771 178.912 176.117 0.041 0.000 1.100 208 I CA 1.074 62.324 61.300 -0.083 0.000 1.374 208 I CB -0.298 37.475 38.000 -0.378 0.000 1.057 208 I HN 0.223 8.433 8.210 0.000 0.000 0.413 209 Q N 0.398 120.325 119.800 0.212 0.000 2.291 209 Q HA -0.206 4.133 4.340 -0.003 0.000 0.205 209 Q C 2.132 178.179 176.000 0.078 0.000 0.970 209 Q CA 1.059 57.007 55.803 0.242 0.000 0.876 209 Q CB 0.217 29.068 28.738 0.189 0.000 0.935 209 Q HN 0.501 8.771 8.270 0.000 0.000 0.455 210 Q N 0.053 119.874 119.800 0.035 0.000 2.137 210 Q HA -0.065 4.274 4.340 -0.003 0.000 0.198 210 Q C 1.567 177.517 176.000 -0.083 0.000 0.960 210 Q CA 1.036 56.829 55.803 -0.017 0.000 0.847 210 Q CB 0.186 28.915 28.738 -0.015 0.000 0.915 210 Q HN 0.289 8.559 8.270 0.000 0.000 0.448 211 K N -0.670 119.645 120.400 -0.142 0.000 2.186 211 K HA -0.035 4.284 4.320 -0.003 0.000 0.202 211 K C 0.088 176.331 176.600 -0.595 0.000 1.052 211 K CA 0.659 56.713 56.287 -0.388 0.000 0.965 211 K CB 0.358 32.558 32.500 -0.499 0.000 0.746 211 K HN 0.082 8.332 8.250 0.000 0.000 0.457 212 Y N 0.287 120.533 120.300 -0.090 0.000 2.495 212 Y HA 0.200 4.749 4.550 -0.002 0.000 0.362 212 Y C -2.026 173.857 175.900 -0.028 0.000 0.956 212 Y CA -2.217 55.834 58.100 -0.080 0.000 1.127 212 Y CB 0.899 39.207 38.460 -0.253 0.000 1.173 212 Y HN 0.016 8.296 8.280 0.000 0.000 0.639 213 P HA -0.095 4.325 4.420 0.000 0.000 0.226 213 P C 0.242 177.595 177.300 0.088 0.000 1.153 213 P CA 1.387 64.520 63.100 0.055 0.000 0.777 213 P CB 0.586 32.289 31.700 0.006 0.000 0.794 214 D N -0.738 119.741 120.400 0.131 0.000 2.379 214 D HA 0.047 4.686 4.640 -0.003 0.000 0.208 214 D C 0.849 177.326 176.300 0.296 0.000 1.065 214 D CA 0.371 54.460 54.000 0.147 0.000 0.848 214 D CB -0.011 40.845 40.800 0.094 0.000 0.949 214 D HN 0.314 8.684 8.370 0.000 0.000 0.509 215 N N -0.723 118.192 118.700 0.359 0.000 2.210 215 N HA 0.095 4.833 4.740 -0.003 0.000 0.203 215 N C -0.649 175.130 175.510 0.448 0.000 1.175 215 N CA -0.175 53.166 53.050 0.486 0.000 0.894 215 N CB 1.138 39.937 38.487 0.520 0.000 1.041 215 N HN -0.071 8.309 8.380 0.000 0.000 0.506 216 F N 1.379 121.353 119.950 0.040 0.000 2.573 216 F HA 0.476 5.002 4.527 -0.002 0.000 0.316 216 F C -1.198 174.539 175.800 -0.105 0.000 1.148 216 F CA -1.118 56.794 58.000 -0.147 0.000 0.940 216 F CB 1.306 40.084 39.000 -0.370 0.000 1.214 216 F HN -0.313 7.987 8.300 0.000 0.000 0.448 217 R N 5.949 125.993 120.500 -0.760 0.000 2.562 217 R HA 0.756 5.095 4.340 -0.003 0.000 0.298 217 R C -2.184 173.520 176.300 -0.993 0.000 0.961 217 R CA -0.913 54.718 56.100 -0.782 0.000 0.881 217 R CB 1.663 31.485 30.300 -0.795 0.000 1.159 217 R HN 0.726 8.996 8.270 0.000 0.000 0.450 218 L N 3.150 123.924 121.223 -0.748 0.000 2.325 218 L HA 0.524 4.862 4.340 -0.003 0.000 0.281 218 L C -1.396 175.271 176.870 -0.337 0.000 1.004 218 L CA 0.151 54.665 54.840 -0.544 0.000 0.823 218 L CB 2.251 44.026 42.059 -0.473 0.000 1.236 218 L HN 0.658 8.888 8.230 0.000 0.000 0.415 219 T N 4.461 118.931 114.554 -0.140 0.000 2.848 219 T HA 0.549 4.897 4.350 -0.003 0.000 0.285 219 T C -1.178 173.516 174.700 -0.009 0.000 0.995 219 T CA -0.212 61.865 62.100 -0.038 0.000 0.970 219 T CB 0.773 69.789 68.868 0.248 0.000 0.976 219 T HN 0.244 8.484 8.240 0.000 0.000 0.441 220 Y N 1.045 121.439 120.300 0.157 0.000 2.420 220 Y HA 0.669 5.218 4.550 -0.003 0.000 0.334 220 Y C 0.288 176.238 175.900 0.083 0.000 1.094 220 Y CA -1.663 56.508 58.100 0.119 0.000 1.126 220 Y CB 1.423 39.928 38.460 0.076 0.000 1.217 220 Y HN 0.756 9.036 8.280 0.000 0.000 0.462 221 A N 4.140 127.092 122.820 0.220 0.000 2.360 221 A HA 0.702 5.021 4.320 -0.003 0.000 0.309 221 A C -1.043 176.541 177.584 -0.001 0.000 1.311 221 A CA -0.511 51.585 52.037 0.099 0.000 0.805 221 A CB -0.468 18.590 19.000 0.097 0.000 1.144 221 A HN 0.719 8.869 8.150 0.000 0.000 0.486 222 I N 3.035 123.583 120.570 -0.036 0.000 2.359 222 I HA 0.156 4.325 4.170 -0.003 0.000 0.284 222 I C 1.440 177.473 176.117 -0.141 0.000 1.018 222 I CA -0.340 60.897 61.300 -0.105 0.000 1.173 222 I CB 1.845 39.782 38.000 -0.105 0.000 1.326 222 I HN 0.714 8.924 8.210 0.000 0.000 0.462 223 S N 5.242 120.823 115.700 -0.200 0.000 2.428 223 S HA 0.001 4.469 4.470 -0.003 0.000 0.230 223 S C 1.660 176.144 174.600 -0.194 0.000 1.014 223 S CA 0.389 58.401 58.200 -0.313 0.000 0.957 223 S CB 0.003 62.900 63.200 -0.506 0.000 0.784 223 S HN 0.570 8.880 8.310 0.000 0.000 0.499 224 R N 0.984 121.411 120.500 -0.121 0.000 2.310 224 R HA 0.293 4.631 4.340 -0.003 0.000 0.202 224 R C 0.788 177.049 176.300 -0.065 0.000 0.933 224 R CA 0.485 56.539 56.100 -0.077 0.000 1.054 224 R CB -0.192 30.076 30.300 -0.053 0.000 0.985 224 R HN 0.655 8.925 8.270 0.000 0.000 0.489 225 E N -0.409 119.747 120.200 -0.074 0.000 2.571 225 E HA 0.112 4.460 4.350 -0.003 0.000 0.222 225 E C -0.223 176.351 176.600 -0.043 0.000 0.904 225 E CA 0.071 56.440 56.400 -0.052 0.000 1.157 225 E CB 0.940 30.610 29.700 -0.051 0.000 1.158 225 E HN 0.149 8.509 8.360 0.000 0.000 0.540 226 Q N 0.635 120.398 119.800 -0.061 0.000 2.397 226 Q HA 0.392 4.730 4.340 -0.003 0.000 0.275 226 Q C -0.970 174.990 176.000 -0.067 0.000 1.090 226 Q CA -0.874 54.902 55.803 -0.046 0.000 0.809 226 Q CB 2.219 30.940 28.738 -0.028 0.000 1.362 226 Q HN -0.222 8.048 8.270 0.000 0.000 0.431 227 K N 1.747 122.123 120.400 -0.041 0.000 2.203 227 K HA 0.368 4.686 4.320 -0.003 0.000 0.251 227 K C -0.420 176.166 176.600 -0.023 0.000 0.944 227 K CA -0.769 55.494 56.287 -0.039 0.000 0.829 227 K CB 1.350 33.837 32.500 -0.022 0.000 1.125 227 K HN 0.699 8.949 8.250 0.000 0.000 0.430 228 N N 0.653 119.342 118.700 -0.018 0.000 2.379 228 N HA 0.229 4.968 4.740 -0.003 0.000 0.260 228 N C -2.124 173.389 175.510 0.005 0.000 1.254 228 N CA -1.348 51.703 53.050 0.002 0.000 0.958 228 N CB -0.218 38.280 38.487 0.019 0.000 1.208 228 N HN 0.095 8.475 8.380 0.000 0.000 0.532 229 P HA -0.066 4.354 4.420 0.000 0.000 0.222 229 P C 0.477 177.781 177.300 0.007 0.000 1.147 229 P CA 1.276 64.378 63.100 0.004 0.000 0.790 229 P CB 0.167 31.867 31.700 0.001 0.000 0.780 230 Q N -1.956 117.851 119.800 0.012 0.000 2.425 230 Q HA 0.271 4.610 4.340 -0.003 0.000 0.204 230 Q C 1.479 177.488 176.000 0.015 0.000 0.933 230 Q CA 0.920 56.732 55.803 0.015 0.000 0.939 230 Q CB -0.337 28.413 28.738 0.021 0.000 1.044 230 Q HN 0.213 8.483 8.270 0.000 0.000 0.513 231 G N -1.147 107.660 108.800 0.012 0.000 2.195 231 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.224 231 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.224 231 G C 0.444 175.350 174.900 0.011 0.000 0.990 231 G CA -0.410 44.695 45.100 0.009 0.000 0.639 231 G HN 0.576 8.866 8.290 0.000 0.000 0.514 232 G N -0.436 108.377 108.800 0.021 0.000 2.543 232 G HA2 0.575 4.533 3.960 -0.003 0.000 0.290 232 G HA3 0.575 4.533 3.960 -0.003 0.000 0.290 232 G C 0.192 175.083 174.900 -0.014 0.000 1.310 232 G CA -0.692 44.428 45.100 0.032 0.000 1.025 232 G HN 0.474 8.764 8.290 0.000 0.000 0.502 233 R N -0.823 119.650 120.500 -0.045 0.000 2.543 233 R HA 0.171 4.510 4.340 -0.003 0.000 0.277 233 R C 0.142 176.196 176.300 -0.410 0.000 1.074 233 R CA -0.473 55.478 56.100 -0.247 0.000 1.076 233 R CB 0.720 30.806 30.300 -0.356 0.000 0.993 233 R HN 0.403 8.673 8.270 0.000 0.000 0.459 234 M N 3.711 123.094 119.600 -0.361 0.000 2.251 234 M HA 0.105 4.583 4.480 -0.003 0.000 0.346 234 M C -1.510 174.528 176.300 -0.436 0.000 1.499 234 M CA 0.626 55.771 55.300 -0.259 0.000 1.128 234 M CB 0.040 32.567 32.600 -0.121 0.000 1.809 234 M HN 0.356 8.646 8.290 0.000 0.000 0.464 235 Y N 3.379 123.696 120.300 0.028 0.000 2.631 235 Y HA 0.387 4.936 4.550 -0.003 0.000 0.328 235 Y C 1.093 177.018 175.900 0.043 0.000 1.118 235 Y CA -0.783 57.334 58.100 0.028 0.000 1.206 235 Y CB 0.648 39.120 38.460 0.021 0.000 1.337 235 Y HN 0.679 8.959 8.280 0.000 0.000 0.515 236 I N 1.038 121.746 120.570 0.230 0.000 2.335 236 I HA -0.292 3.876 4.170 -0.003 0.000 0.251 236 I C 2.180 178.372 176.117 0.124 0.000 1.129 236 I CA 1.518 62.910 61.300 0.153 0.000 1.402 236 I CB -0.130 37.955 38.000 0.140 0.000 1.069 236 I HN 0.770 8.980 8.210 0.000 0.000 0.424 237 Q N -0.213 119.667 119.800 0.132 0.000 2.230 237 Q HA -0.204 4.135 4.340 -0.003 0.000 0.202 237 Q C 1.126 177.178 176.000 0.087 0.000 0.963 237 Q CA 1.361 57.219 55.803 0.092 0.000 0.866 237 Q CB -0.506 28.276 28.738 0.074 0.000 0.931 237 Q HN 0.539 8.809 8.270 0.000 0.000 0.452 238 D N 0.825 121.294 120.400 0.114 0.000 2.183 238 D HA -0.058 4.580 4.640 -0.003 0.000 0.203 238 D C 1.943 178.288 176.300 0.075 0.000 0.969 238 D CA 0.564 54.615 54.000 0.085 0.000 0.842 238 D CB 0.087 40.941 40.800 0.089 0.000 0.957 238 D HN 0.180 8.550 8.370 0.000 0.000 0.484 239 R N 0.666 121.229 120.500 0.104 0.000 2.115 239 R HA 0.005 4.343 4.340 -0.003 0.000 0.226 239 R C 2.328 178.732 176.300 0.174 0.000 1.100 239 R CA 0.232 56.426 56.100 0.155 0.000 0.980 239 R CB -0.633 29.773 30.300 0.178 0.000 0.875 239 R HN 0.136 8.406 8.270 0.000 0.000 0.445 240 V N 0.948 120.915 119.914 0.089 0.000 2.453 240 V HA -0.124 3.994 4.120 -0.003 0.000 0.247 240 V C 2.425 178.541 176.094 0.037 0.000 1.048 240 V CA 1.643 63.967 62.300 0.041 0.000 1.049 240 V CB -0.604 31.225 31.823 0.010 0.000 0.672 240 V HN 0.257 8.447 8.190 0.000 0.000 0.457 241 A N -0.554 122.281 122.820 0.025 0.000 1.969 241 A HA -0.224 4.094 4.320 -0.003 0.000 0.218 241 A C 2.249 179.822 177.584 -0.018 0.000 1.169 241 A CA 1.710 53.745 52.037 -0.002 0.000 0.635 241 A CB -0.418 18.581 19.000 -0.001 0.000 0.810 241 A HN 0.589 8.739 8.150 0.000 0.000 0.445 242 E N -0.886 119.290 120.200 -0.039 0.000 2.110 242 E HA -0.213 4.136 4.350 -0.003 0.000 0.193 242 E C 0.619 177.064 176.600 -0.259 0.000 0.988 242 E CA 1.228 57.523 56.400 -0.176 0.000 0.804 242 E CB -0.063 29.478 29.700 -0.265 0.000 0.745 242 E HN 0.855 9.215 8.360 0.000 0.000 0.458 243 H N -1.704 117.414 119.070 0.079 0.000 2.486 243 H HA 0.348 4.903 4.556 -0.002 0.000 0.284 243 H C 0.991 176.369 175.328 0.083 0.000 1.103 243 H CA 0.258 56.386 56.048 0.133 0.000 1.089 243 H CB 1.033 30.930 29.762 0.225 0.000 1.603 243 H HN 0.165 8.445 8.280 0.000 0.000 0.557 244 A N 0.438 123.322 122.820 0.107 0.000 1.972 244 A HA -0.182 4.137 4.320 -0.003 0.000 0.219 244 A C 1.745 179.393 177.584 0.107 0.000 1.169 244 A CA 1.785 53.853 52.037 0.053 0.000 0.635 244 A CB -0.038 18.947 19.000 -0.025 0.000 0.810 244 A HN 0.327 8.477 8.150 0.000 0.000 0.446 245 D N -0.418 120.058 120.400 0.127 0.000 2.123 245 D HA -0.124 4.514 4.640 -0.003 0.000 0.200 245 D C 2.212 178.643 176.300 0.219 0.000 0.976 245 D CA 1.393 55.496 54.000 0.172 0.000 0.831 245 D CB -0.326 40.548 40.800 0.123 0.000 0.974 245 D HN 0.638 9.008 8.370 0.000 0.000 0.469 246 Q N 0.219 120.160 119.800 0.234 0.000 2.079 246 Q HA -0.040 4.299 4.340 -0.003 0.000 0.200 246 Q C 2.531 178.699 176.000 0.280 0.000 0.974 246 Q CA 0.691 56.656 55.803 0.271 0.000 0.840 246 Q CB -0.053 28.924 28.738 0.399 0.000 0.898 246 Q HN 0.271 8.541 8.270 0.000 0.000 0.430 247 L N -0.153 121.220 121.223 0.251 0.000 2.141 247 L HA -0.153 4.186 4.340 -0.003 0.000 0.209 247 L C 2.266 179.253 176.870 0.195 0.000 1.094 247 L CA 0.912 55.856 54.840 0.174 0.000 0.763 247 L CB -0.475 41.602 42.059 0.029 0.000 0.908 247 L HN 0.515 8.745 8.230 0.000 0.000 0.437 248 W N 1.062 122.363 121.300 0.002 0.000 2.418 248 W HA -0.180 4.478 4.660 -0.003 0.000 0.292 248 W C 2.102 178.636 176.519 0.024 0.000 1.213 248 W CA 1.023 58.343 57.345 -0.043 0.000 1.283 248 W CB -0.009 29.383 29.460 -0.113 0.000 1.119 248 W HN 0.244 8.424 8.180 0.000 0.000 0.542 249 Q N 0.656 120.370 119.800 -0.143 0.000 2.167 249 Q HA -0.174 4.165 4.340 -0.003 0.000 0.202 249 Q C 2.373 178.285 176.000 -0.146 0.000 0.970 249 Q CA 1.613 57.281 55.803 -0.225 0.000 0.855 249 Q CB -0.336 28.381 28.738 -0.034 0.000 0.911 249 Q HN 0.374 8.644 8.270 0.000 0.000 0.438 250 L N -0.107 121.118 121.223 0.003 0.000 2.179 250 L HA -0.089 4.249 4.340 -0.003 0.000 0.208 250 L C 2.103 179.015 176.870 0.070 0.000 1.096 250 L CA 0.643 55.539 54.840 0.093 0.000 0.779 250 L CB -0.171 42.039 42.059 0.253 0.000 0.922 250 L HN 0.232 8.462 8.230 0.000 0.000 0.443 251 I N -0.206 120.381 120.570 0.030 0.000 2.614 251 I HA -0.232 3.936 4.170 -0.003 0.000 0.258 251 I C 2.258 178.367 176.117 -0.014 0.000 1.189 251 I CA 1.106 62.468 61.300 0.103 0.000 1.462 251 I CB -0.128 38.031 38.000 0.265 0.000 1.092 251 I HN 0.191 8.401 8.210 0.000 0.000 0.442 252 K N 0.341 120.566 120.400 -0.292 0.000 2.365 252 K HA -0.071 4.247 4.320 -0.003 0.000 0.199 252 K C 0.914 177.479 176.600 -0.058 0.000 1.045 252 K CA 0.117 56.244 56.287 -0.267 0.000 0.962 252 K CB -0.179 32.020 32.500 -0.501 0.000 0.759 252 K HN 0.222 8.472 8.250 0.000 0.000 0.469 253 N N 2.177 120.865 118.700 -0.020 0.000 2.492 253 N HA -0.086 4.652 4.740 -0.003 0.000 0.262 253 N C 0.801 176.348 175.510 0.061 0.000 1.202 253 N CA 0.319 53.388 53.050 0.032 0.000 0.926 253 N CB 1.087 39.612 38.487 0.064 0.000 1.078 253 N HN 0.205 8.585 8.380 0.000 0.000 0.454 254 Q N 2.544 122.377 119.800 0.055 0.000 2.437 254 Q HA -0.043 4.295 4.340 -0.003 0.000 0.210 254 Q C 0.340 176.386 176.000 0.077 0.000 0.972 254 Q CA 0.973 56.807 55.803 0.052 0.000 0.903 254 Q CB 0.164 28.928 28.738 0.044 0.000 0.967 254 Q HN 0.379 8.649 8.270 0.000 0.000 0.486 255 K N 0.622 121.091 120.400 0.115 0.000 2.367 255 K HA 0.154 4.473 4.320 -0.003 0.000 0.194 255 K C 0.045 176.810 176.600 0.275 0.000 1.027 255 K CA 0.246 56.644 56.287 0.185 0.000 1.075 255 K CB 0.786 33.383 32.500 0.161 0.000 0.845 255 K HN 0.097 8.347 8.250 0.000 0.000 0.529 256 T N 1.711 116.387 114.554 0.203 0.000 2.817 256 T HA 0.209 4.558 4.350 -0.003 0.000 0.293 256 T C -0.604 174.202 174.700 0.178 0.000 0.964 256 T CA -0.084 62.166 62.100 0.251 0.000 1.085 256 T CB 0.511 69.507 68.868 0.214 0.000 0.921 256 T HN 0.082 8.322 8.240 0.000 0.000 0.502 257 H N 0.803 119.993 119.070 0.199 0.000 2.495 257 H HA 0.517 5.072 4.556 -0.002 0.000 0.348 257 H C -0.074 175.301 175.328 0.079 0.000 1.113 257 H CA -0.353 55.782 56.048 0.145 0.000 1.195 257 H CB 1.434 31.297 29.762 0.167 0.000 1.521 257 H HN 0.468 8.748 8.280 0.000 0.000 0.509 258 T N 3.169 117.726 114.554 0.004 0.000 2.807 258 T HA 0.379 4.728 4.350 -0.003 0.000 0.279 258 T C -1.024 173.398 174.700 -0.464 0.000 0.993 258 T CA -0.646 61.355 62.100 -0.164 0.000 0.970 258 T CB 0.369 69.054 68.868 -0.305 0.000 0.950 258 T HN 0.330 8.570 8.240 0.000 0.000 0.441 259 Y N 1.971 122.198 120.300 -0.122 0.000 2.364 259 Y HA 0.641 5.189 4.550 -0.003 0.000 0.340 259 Y C 0.045 175.872 175.900 -0.122 0.000 0.975 259 Y CA -1.205 56.842 58.100 -0.090 0.000 1.089 259 Y CB 1.256 39.718 38.460 0.003 0.000 1.192 259 Y HN 0.466 8.746 8.280 0.000 0.000 0.454 260 I N 3.569 124.127 120.570 -0.021 0.000 2.447 260 I HA 0.464 4.632 4.170 -0.003 0.000 0.287 260 I C -1.087 175.060 176.117 0.051 0.000 1.023 260 I CA -0.544 60.745 61.300 -0.017 0.000 1.083 260 I CB 1.522 39.468 38.000 -0.089 0.000 1.245 260 I HN 0.597 8.807 8.210 0.000 0.000 0.434 261 C N 4.887 124.223 119.300 0.060 0.000 2.880 261 C HA 0.980 5.439 4.460 -0.003 0.000 0.320 261 C C 0.143 175.128 174.990 -0.010 0.000 1.176 261 C CA 0.368 59.420 59.018 0.056 0.000 1.390 261 C CB 0.808 28.614 27.740 0.111 0.000 1.846 261 C HN 1.092 9.322 8.230 0.000 0.000 0.478 262 G N 3.484 112.172 108.800 -0.186 0.000 2.350 262 G HA2 0.241 4.199 3.960 -0.003 0.000 0.276 262 G HA3 0.241 4.199 3.960 -0.003 0.000 0.276 262 G C -1.773 172.703 174.900 -0.707 0.000 1.313 262 G CA -0.807 44.096 45.100 -0.329 0.000 0.903 262 G HN 0.864 9.154 8.290 0.000 0.000 0.490 263 L N 1.062 122.016 121.223 -0.448 0.000 2.417 263 L HA 0.415 4.753 4.340 -0.003 0.000 0.268 263 L C 1.560 178.302 176.870 -0.213 0.000 1.158 263 L CA -0.673 53.945 54.840 -0.370 0.000 0.819 263 L CB 0.797 42.760 42.059 -0.160 0.000 1.112 263 L HN 0.543 8.773 8.230 0.000 0.000 0.458 264 R N 1.247 121.656 120.500 -0.151 0.000 2.698 264 R HA 0.116 4.454 4.340 -0.003 0.000 0.266 264 R C 0.792 177.060 176.300 -0.054 0.000 1.026 264 R CA 1.151 57.208 56.100 -0.073 0.000 1.102 264 R CB 0.308 30.589 30.300 -0.031 0.000 0.978 264 R HN 0.931 9.201 8.270 0.000 0.000 0.436 265 G N 3.057 111.840 108.800 -0.028 0.000 2.163 265 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.213 265 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.213 265 G C 0.616 175.503 174.900 -0.021 0.000 0.991 265 G CA 0.432 45.518 45.100 -0.025 0.000 0.653 265 G HN 0.660 8.950 8.290 0.000 0.000 0.518 266 M N -1.207 118.387 119.600 -0.009 0.000 2.465 266 M HA 0.481 4.959 4.480 -0.003 0.000 0.249 266 M C 1.585 177.917 176.300 0.054 0.000 1.130 266 M CA 1.388 56.696 55.300 0.012 0.000 1.067 266 M CB -0.216 32.390 32.600 0.011 0.000 1.394 266 M HN 0.090 8.380 8.290 0.000 0.000 0.483 267 E N 1.686 121.930 120.200 0.073 0.000 2.208 267 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 267 E C 1.887 178.571 176.600 0.140 0.000 0.988 267 E CA 1.169 57.651 56.400 0.137 0.000 0.828 267 E CB -0.076 29.714 29.700 0.151 0.000 0.763 267 E HN 0.668 9.028 8.360 0.000 0.000 0.478 268 E N 0.261 120.513 120.200 0.087 0.000 2.107 268 E HA -0.104 4.245 4.350 -0.003 0.000 0.191 268 E C 2.040 178.679 176.600 0.065 0.000 0.982 268 E CA 1.056 57.500 56.400 0.073 0.000 0.809 268 E CB -0.080 29.644 29.700 0.039 0.000 0.756 268 E HN 0.310 8.670 8.360 0.000 0.000 0.459 269 G N 0.612 109.443 108.800 0.052 0.000 2.511 269 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.217 269 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.217 269 G C 1.497 176.427 174.900 0.050 0.000 1.133 269 G CA 0.114 45.239 45.100 0.041 0.000 0.792 269 G HN 0.182 8.472 8.290 0.000 0.000 0.539 270 I N 0.774 121.395 120.570 0.084 0.000 2.353 270 I HA -0.065 4.103 4.170 -0.003 0.000 0.248 270 I C 1.999 178.163 176.117 0.078 0.000 1.119 270 I CA 0.839 62.198 61.300 0.098 0.000 1.417 270 I CB 0.002 38.105 38.000 0.173 0.000 1.078 270 I HN -0.009 8.201 8.210 0.000 0.000 0.421 271 D N 0.982 121.470 120.400 0.147 0.000 2.183 271 D HA -0.065 4.574 4.640 -0.003 0.000 0.203 271 D C 2.221 178.531 176.300 0.016 0.000 0.969 271 D CA 1.263 55.366 54.000 0.172 0.000 0.842 271 D CB -0.015 40.969 40.800 0.307 0.000 0.957 271 D HN 0.294 8.664 8.370 0.000 0.000 0.484 272 A N 0.631 123.459 122.820 0.014 0.000 2.014 272 A HA 0.106 4.425 4.320 -0.003 0.000 0.218 272 A C 2.213 179.750 177.584 -0.079 0.000 1.163 272 A CA 1.629 53.654 52.037 -0.019 0.000 0.652 272 A CB -0.344 18.656 19.000 0.001 0.000 0.808 272 A HN 0.210 8.360 8.150 0.000 0.000 0.449 273 A N -0.217 122.547 122.820 -0.093 0.000 1.872 273 A HA 0.095 4.413 4.320 -0.003 0.000 0.214 273 A C 2.049 179.492 177.584 -0.234 0.000 1.187 273 A CA 1.226 53.191 52.037 -0.120 0.000 0.614 273 A CB -0.495 18.461 19.000 -0.073 0.000 0.826 273 A HN 0.427 8.576 8.150 0.000 0.000 0.442 274 L N -0.762 120.229 121.223 -0.387 0.000 2.291 274 L HA -0.067 4.271 4.340 -0.003 0.000 0.214 274 L C 2.725 179.107 176.870 -0.815 0.000 1.120 274 L CA 0.954 55.352 54.840 -0.736 0.000 0.799 274 L CB -0.239 41.046 42.059 -1.289 0.000 0.925 274 L HN 0.380 8.610 8.230 0.000 0.000 0.446 275 S N -0.225 115.178 115.700 -0.495 0.000 2.357 275 S HA -0.091 4.378 4.470 -0.003 0.000 0.221 275 S C 2.163 176.618 174.600 -0.242 0.000 1.031 275 S CA 1.184 59.248 58.200 -0.226 0.000 0.982 275 S CB 0.006 63.185 63.200 -0.035 0.000 0.853 275 S HN 0.472 8.782 8.310 0.000 0.000 0.458 276 A N 1.061 123.754 122.820 -0.212 0.000 1.972 276 A HA 0.164 4.482 4.320 -0.003 0.000 0.219 276 A C 2.271 179.717 177.584 -0.230 0.000 1.169 276 A CA 1.728 53.661 52.037 -0.174 0.000 0.635 276 A CB -0.944 17.985 19.000 -0.119 0.000 0.810 276 A HN 0.567 8.717 8.150 0.000 0.000 0.446 277 A N -0.154 122.475 122.820 -0.318 0.000 1.872 277 A HA 0.247 4.565 4.320 -0.003 0.000 0.214 277 A C 2.502 179.677 177.584 -0.682 0.000 1.187 277 A CA 1.824 53.641 52.037 -0.367 0.000 0.614 277 A CB -1.006 17.822 19.000 -0.287 0.000 0.826 277 A HN 0.998 9.148 8.150 0.000 0.000 0.442 278 A N -0.012 122.171 122.820 -1.062 0.000 1.933 278 A HA 0.164 4.483 4.320 -0.003 0.000 0.218 278 A C 2.476 179.731 177.584 -0.549 0.000 1.175 278 A CA 2.000 53.239 52.037 -1.329 0.000 0.628 278 A CB -1.022 17.202 19.000 -1.292 0.000 0.814 278 A HN 1.096 9.246 8.150 0.000 0.000 0.444 279 A N 0.088 122.698 122.820 -0.349 0.000 1.986 279 A HA -0.217 4.102 4.320 -0.003 0.000 0.220 279 A C 2.033 179.541 177.584 -0.125 0.000 1.171 279 A CA 1.880 53.809 52.037 -0.179 0.000 0.640 279 A CB -0.486 18.434 19.000 -0.133 0.000 0.811 279 A HN 0.581 8.731 8.150 0.000 0.000 0.451 280 K N -0.311 120.007 120.400 -0.136 0.000 2.280 280 K HA -0.130 4.189 4.320 -0.003 0.000 0.202 280 K C 0.794 177.382 176.600 -0.020 0.000 1.047 280 K CA 1.420 57.668 56.287 -0.064 0.000 0.942 280 K CB -0.080 32.391 32.500 -0.050 0.000 0.739 280 K HN 0.657 8.907 8.250 0.000 0.000 0.457 281 E N -0.540 119.650 120.200 -0.017 0.000 2.558 281 E HA 0.109 4.458 4.350 -0.003 0.000 0.205 281 E C 0.398 177.022 176.600 0.040 0.000 1.006 281 E CA 0.082 56.514 56.400 0.053 0.000 0.961 281 E CB 1.012 30.813 29.700 0.168 0.000 1.044 281 E HN 0.386 8.746 8.360 0.000 0.000 0.465 282 G N 1.274 110.072 108.800 -0.004 0.000 2.148 282 G HA2 -0.274 3.685 3.960 -0.003 0.000 0.254 282 G HA3 -0.274 3.685 3.960 -0.003 0.000 0.254 282 G C 0.285 175.192 174.900 0.012 0.000 0.981 282 G CA 0.198 45.300 45.100 0.004 0.000 0.670 282 G HN 0.191 8.481 8.290 0.000 0.000 0.528 283 V N 1.678 121.584 119.914 -0.014 0.000 2.481 283 V HA 0.615 4.733 4.120 -0.003 0.000 0.286 283 V C 0.887 176.956 176.094 -0.041 0.000 1.042 283 V CA 0.130 62.433 62.300 0.005 0.000 0.928 283 V CB 1.664 33.497 31.823 0.017 0.000 0.986 283 V HN 0.562 8.752 8.190 0.000 0.000 0.462 284 T N 2.331 116.894 114.554 0.015 0.000 2.723 284 T HA 0.095 4.443 4.350 -0.003 0.000 0.297 284 T C 0.867 175.594 174.700 0.045 0.000 0.925 284 T CA -0.430 61.676 62.100 0.010 0.000 1.030 284 T CB 0.499 69.367 68.868 -0.000 0.000 0.905 284 T HN 0.868 9.108 8.240 0.000 0.000 0.502 285 W N 3.589 124.794 121.300 -0.158 0.000 2.335 285 W HA -0.275 4.383 4.660 -0.003 0.000 0.311 285 W C 1.924 178.393 176.519 -0.084 0.000 1.213 285 W CA 1.723 58.974 57.345 -0.157 0.000 1.274 285 W CB -0.453 28.871 29.460 -0.227 0.000 1.148 285 W HN 0.818 8.998 8.180 0.000 0.000 0.498 286 S N 0.187 115.725 115.700 -0.271 0.000 2.419 286 S HA -0.223 4.246 4.470 -0.003 0.000 0.233 286 S C 1.242 175.641 174.600 -0.335 0.000 1.016 286 S CA 1.739 59.717 58.200 -0.371 0.000 0.974 286 S CB -0.640 62.464 63.200 -0.160 0.000 0.786 286 S HN 0.194 8.504 8.310 0.000 0.000 0.492 287 D N 0.187 120.463 120.400 -0.208 0.000 2.137 287 D HA 0.028 4.666 4.640 -0.003 0.000 0.202 287 D C 1.585 177.769 176.300 -0.193 0.000 0.970 287 D CA 0.899 54.805 54.000 -0.157 0.000 0.837 287 D CB -0.518 40.244 40.800 -0.064 0.000 0.981 287 D HN 0.535 8.905 8.370 0.000 0.000 0.475 288 Y N 1.492 121.610 120.300 -0.303 0.000 2.242 288 Y HA -0.166 4.382 4.550 -0.002 0.000 0.291 288 Y C 2.409 177.983 175.900 -0.542 0.000 1.137 288 Y CA 1.581 59.515 58.100 -0.277 0.000 1.181 288 Y CB 0.097 38.526 38.460 -0.050 0.000 0.989 288 Y HN -0.066 8.214 8.280 0.000 0.000 0.527 289 Q N 0.212 119.495 119.800 -0.862 0.000 2.167 289 Q HA -0.185 4.154 4.340 -0.003 0.000 0.202 289 Q C 1.951 177.537 176.000 -0.689 0.000 0.970 289 Q CA 1.356 56.468 55.803 -1.152 0.000 0.855 289 Q CB -0.008 27.741 28.738 -1.648 0.000 0.911 289 Q HN 0.435 8.705 8.270 0.000 0.000 0.438 290 K N 0.320 120.425 120.400 -0.492 0.000 2.057 290 K HA -0.141 4.177 4.320 -0.003 0.000 0.207 290 K C 1.697 178.129 176.600 -0.280 0.000 1.049 290 K CA 1.485 57.581 56.287 -0.318 0.000 0.931 290 K CB 0.042 32.400 32.500 -0.237 0.000 0.714 290 K HN 0.281 8.531 8.250 0.000 0.000 0.440 291 D N 1.058 121.264 120.400 -0.324 0.000 2.144 291 D HA -0.138 4.500 4.640 -0.003 0.000 0.199 291 D C 1.959 178.082 176.300 -0.295 0.000 0.984 291 D CA 0.939 54.760 54.000 -0.299 0.000 0.834 291 D CB -0.096 40.487 40.800 -0.362 0.000 0.955 291 D HN 0.151 8.521 8.370 0.000 0.000 0.465 292 L N 0.494 121.501 121.223 -0.361 0.000 2.083 292 L HA -0.163 4.176 4.340 -0.003 0.000 0.209 292 L C 2.423 179.208 176.870 -0.143 0.000 1.083 292 L CA 1.124 55.822 54.840 -0.236 0.000 0.752 292 L CB -0.202 41.745 42.059 -0.187 0.000 0.899 292 L HN -0.037 8.193 8.230 0.000 0.000 0.433 293 K N 0.093 120.401 120.400 -0.153 0.000 2.057 293 K HA -0.186 4.132 4.320 -0.003 0.000 0.206 293 K C 2.172 178.716 176.600 -0.094 0.000 1.050 293 K CA 1.261 57.497 56.287 -0.084 0.000 0.935 293 K CB 0.023 32.476 32.500 -0.078 0.000 0.715 293 K HN 0.041 8.291 8.250 0.000 0.000 0.439 294 K N 0.203 120.537 120.400 -0.110 0.000 2.148 294 K HA -0.041 4.277 4.320 -0.003 0.000 0.204 294 K C 1.703 178.256 176.600 -0.077 0.000 1.050 294 K CA 1.095 57.330 56.287 -0.086 0.000 0.942 294 K CB 0.075 32.519 32.500 -0.093 0.000 0.724 294 K HN 0.131 8.381 8.250 0.000 0.000 0.446 295 A N -0.275 122.485 122.820 -0.100 0.000 2.167 295 A HA 0.167 4.485 4.320 -0.003 0.000 0.214 295 A C 1.275 178.822 177.584 -0.062 0.000 1.151 295 A CA 0.870 52.858 52.037 -0.082 0.000 0.735 295 A CB -0.400 18.534 19.000 -0.110 0.000 0.802 295 A HN 0.396 8.546 8.150 0.000 0.000 0.467 296 G N -0.892 107.855 108.800 -0.088 0.000 2.149 296 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.235 296 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.235 296 G C 0.672 175.464 174.900 -0.180 0.000 1.018 296 G CA 0.427 45.473 45.100 -0.090 0.000 0.728 296 G HN 0.515 8.805 8.290 0.000 0.000 0.508 297 R N -1.361 118.973 120.500 -0.276 0.000 2.437 297 R HA 0.163 4.502 4.340 -0.003 0.000 0.257 297 R C 0.086 176.247 176.300 -0.231 0.000 0.927 297 R CA -0.277 55.599 56.100 -0.374 0.000 1.078 297 R CB 0.690 30.765 30.300 -0.374 0.000 1.161 297 R HN 0.448 8.718 8.270 0.000 0.000 0.529 298 W N 1.855 122.845 121.300 -0.517 0.000 2.424 298 W HA 0.298 4.957 4.660 -0.002 0.000 0.318 298 W C -1.503 174.769 176.519 -0.410 0.000 1.016 298 W CA -0.537 56.615 57.345 -0.321 0.000 1.268 298 W CB 0.835 30.200 29.460 -0.158 0.000 1.297 298 W HN 0.078 8.258 8.180 0.000 0.000 0.428 299 H N 3.157 121.958 119.070 -0.449 0.000 2.539 299 H HA 0.497 5.051 4.556 -0.003 0.000 0.332 299 H C -0.475 174.709 175.328 -0.241 0.000 1.031 299 H CA -0.540 55.337 56.048 -0.285 0.000 1.206 299 H CB 2.015 31.539 29.762 -0.396 0.000 1.446 299 H HN -0.013 8.267 8.280 0.000 0.000 0.496 300 V N 2.862 122.800 119.914 0.039 0.000 2.588 300 V HA 0.319 4.438 4.120 -0.003 0.000 0.304 300 V C -0.319 175.840 176.094 0.110 0.000 1.042 300 V CA -0.756 61.575 62.300 0.052 0.000 0.877 300 V CB 1.962 33.841 31.823 0.094 0.000 0.996 300 V HN 0.847 9.037 8.190 0.000 0.000 0.425 301 E N 3.156 123.427 120.200 0.117 0.000 2.502 301 E HA 0.507 4.856 4.350 -0.003 0.000 0.261 301 E C -0.800 175.889 176.600 0.148 0.000 0.974 301 E CA -0.324 56.168 56.400 0.153 0.000 0.795 301 E CB 1.435 31.244 29.700 0.182 0.000 1.385 301 E HN 0.866 9.226 8.360 0.000 0.000 0.400 302 T N 0.610 115.229 114.554 0.108 0.000 2.908 302 T HA 0.734 5.082 4.350 -0.003 0.000 0.290 302 T C -0.543 174.210 174.700 0.089 0.000 1.034 302 T CA -0.592 61.488 62.100 -0.033 0.000 1.010 302 T CB 1.073 69.910 68.868 -0.051 0.000 1.068 302 T HN 0.388 8.628 8.240 0.000 0.000 0.481 303 Y N 0.000 120.307 120.300 0.011 0.000 2.660 303 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 303 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 303 Y CB 0.000 38.444 38.460 -0.027 0.000 1.050 303 Y HN 0.000 8.280 8.280 0.000 0.000 0.758