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 2wk9_1_B DATA FIRST_RESID 4 DATA SEQUENCE PQLPDFIQNK IDHYIENYFD INKNGKHLVL GKQASPDDII LQSNDYLALA DATA SEQUENCE NHPLIKARLA KSLLEXXXXX XMSASFLQND YDKPMIEKRL AKFTGFDECL DATA SEQUENCE LSQSGWNANV GLLQTICQPN TNVYIDFFAH MSLWEGARYA NAQAHPFMHN DATA SEQUENCE NCDHLRMLIQ RHGPGIIVVD SIYSTLGTIA PLAELVNISK EFGCALLVDE DATA SEQUENCE SHSLGTHGPN GAGLLAELGL TREVHFMTAS LAKTFAYRAG AIWCNNEVNR DATA SEQUENCE CVPFISYPAI FSSTLLPYEA AGLETTLEII ESADNRRQHL DRMARKLRIG DATA SEQUENCE LSQLGLTIRS ESQIIGLETG DERNTEKVRD YLESNGVFGS VFCRPATSKN DATA SEQUENCE KNIIRLSLNS DVNDEQIAKI IEVCSDAVNY GDFYFR 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 4 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 4 P C 0.000 177.283 177.300 -0.029 0.000 1.155 4 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 4 P CB 0.000 31.688 31.700 -0.020 0.000 0.726 5 Q N 1.505 121.288 119.800 -0.027 0.000 2.333 5 Q HA 0.081 4.421 4.340 0.001 0.000 0.299 5 Q C 0.367 176.332 176.000 -0.059 0.000 1.067 5 Q CA 0.128 55.909 55.803 -0.037 0.000 0.943 5 Q CB 0.732 29.453 28.738 -0.029 0.000 1.233 5 Q HN 0.393 8.663 8.270 -0.000 0.000 0.401 6 L N 4.225 125.400 121.223 -0.081 0.000 2.456 6 L HA 0.171 4.511 4.340 0.001 0.000 0.272 6 L C -1.739 175.034 176.870 -0.161 0.000 1.189 6 L CA -1.329 53.427 54.840 -0.140 0.000 0.846 6 L CB -0.737 41.225 42.059 -0.162 0.000 1.111 6 L HN 0.436 8.666 8.230 -0.000 0.000 0.475 7 P HA 0.074 4.494 4.420 -0.000 0.000 0.269 7 P C 0.339 177.485 177.300 -0.256 0.000 1.215 7 P CA -0.337 62.636 63.100 -0.212 0.000 0.780 7 P CB 0.627 32.167 31.700 -0.267 0.000 0.898 8 D N 0.807 121.155 120.400 -0.086 0.000 2.133 8 D HA -0.191 4.449 4.640 0.001 0.000 0.195 8 D C 1.581 177.857 176.300 -0.040 0.000 0.997 8 D CA 1.496 55.473 54.000 -0.038 0.000 0.840 8 D CB -0.638 40.182 40.800 0.034 0.000 0.947 8 D HN 0.560 8.930 8.370 -0.000 0.000 0.452 9 F N -0.131 119.813 119.950 -0.010 0.000 2.269 9 F HA -0.001 4.527 4.527 0.001 0.000 0.301 9 F C 1.956 177.747 175.800 -0.016 0.000 1.082 9 F CA 0.683 58.674 58.000 -0.014 0.000 1.360 9 F CB -0.539 38.452 39.000 -0.016 0.000 1.041 9 F HN -0.063 8.237 8.300 -0.000 0.000 0.512 10 I N -0.270 119.934 120.570 -0.610 0.000 2.556 10 I HA -0.077 4.093 4.170 0.001 0.000 0.251 10 I C 2.478 178.484 176.117 -0.185 0.000 1.105 10 I CA 0.594 61.674 61.300 -0.366 0.000 1.436 10 I CB -0.565 37.141 38.000 -0.491 0.000 1.139 10 I HN 0.116 8.326 8.210 -0.000 0.000 0.438 11 Q N 1.708 121.396 119.800 -0.187 0.000 2.077 11 Q HA -0.227 4.113 4.340 0.001 0.000 0.206 11 Q C 1.913 177.892 176.000 -0.035 0.000 0.989 11 Q CA 2.032 57.779 55.803 -0.093 0.000 0.853 11 Q CB -0.196 28.493 28.738 -0.081 0.000 0.907 11 Q HN 0.354 8.624 8.270 -0.000 0.000 0.418 12 N N 0.168 118.854 118.700 -0.024 0.000 2.104 12 N HA -0.183 4.557 4.740 0.001 0.000 0.190 12 N C 1.382 176.918 175.510 0.042 0.000 1.024 12 N CA 1.541 54.599 53.050 0.014 0.000 0.853 12 N CB -0.343 38.151 38.487 0.013 0.000 1.008 12 N HN 0.367 8.747 8.380 -0.000 0.000 0.424 13 K N 0.539 120.955 120.400 0.027 0.000 2.057 13 K HA -0.042 4.279 4.320 0.001 0.000 0.206 13 K C 1.697 178.344 176.600 0.078 0.000 1.050 13 K CA 0.850 57.170 56.287 0.055 0.000 0.935 13 K CB 0.032 32.547 32.500 0.024 0.000 0.715 13 K HN -0.012 8.238 8.250 -0.000 0.000 0.439 14 I N 2.222 122.806 120.570 0.022 0.000 2.252 14 I HA -0.223 3.947 4.170 0.001 0.000 0.245 14 I C 1.696 177.854 176.117 0.069 0.000 1.102 14 I CA 1.351 62.663 61.300 0.020 0.000 1.385 14 I CB -1.185 36.801 38.000 -0.022 0.000 1.064 14 I HN 0.232 8.442 8.210 -0.000 0.000 0.414 15 D N -0.154 120.285 120.400 0.065 0.000 2.092 15 D HA -0.231 4.410 4.640 0.001 0.000 0.193 15 D C 2.189 178.546 176.300 0.095 0.000 0.994 15 D CA 1.338 55.380 54.000 0.070 0.000 0.828 15 D CB -0.550 40.288 40.800 0.063 0.000 0.963 15 D HN 0.414 8.784 8.370 -0.000 0.000 0.450 16 H N -0.950 118.139 119.070 0.032 0.000 2.352 16 H HA -0.196 4.360 4.556 0.001 0.000 0.299 16 H C 2.137 177.493 175.328 0.046 0.000 1.097 16 H CA 1.494 57.565 56.048 0.038 0.000 1.311 16 H CB -0.137 29.655 29.762 0.051 0.000 1.377 16 H HN 0.210 8.490 8.280 -0.000 0.000 0.504 17 Y N 1.094 121.373 120.300 -0.034 0.000 2.114 17 Y HA -0.188 4.362 4.550 0.001 0.000 0.284 17 Y C 2.654 178.401 175.900 -0.254 0.000 1.143 17 Y CA 1.772 59.776 58.100 -0.159 0.000 1.135 17 Y CB -0.520 37.773 38.460 -0.279 0.000 0.980 17 Y HN 0.099 8.379 8.280 -0.000 0.000 0.499 18 I N 0.301 120.754 120.570 -0.195 0.000 2.208 18 I HA -0.326 3.844 4.170 0.001 0.000 0.245 18 I C 2.247 178.247 176.117 -0.196 0.000 1.097 18 I CA 1.831 62.940 61.300 -0.318 0.000 1.363 18 I CB -0.437 37.557 38.000 -0.010 0.000 1.051 18 I HN 0.370 8.580 8.210 -0.000 0.000 0.413 19 E N 0.631 120.748 120.200 -0.138 0.000 2.077 19 E HA -0.189 4.161 4.350 0.001 0.000 0.193 19 E C 1.658 178.143 176.600 -0.192 0.000 0.989 19 E CA 1.097 57.426 56.400 -0.120 0.000 0.800 19 E CB -0.095 29.546 29.700 -0.099 0.000 0.746 19 E HN 0.490 8.850 8.360 -0.000 0.000 0.452 20 N N -0.721 117.805 118.700 -0.291 0.000 2.424 20 N HA -0.033 4.707 4.740 0.001 0.000 0.178 20 N C 0.753 175.978 175.510 -0.475 0.000 1.060 20 N CA 0.785 53.622 53.050 -0.354 0.000 0.901 20 N CB 0.290 38.532 38.487 -0.407 0.000 0.979 20 N HN 0.233 8.613 8.380 -0.000 0.000 0.451 21 Y N -1.805 118.130 120.300 -0.608 0.000 2.467 21 Y HA 0.269 4.820 4.550 0.001 0.000 0.259 21 Y C 1.052 176.863 175.900 -0.149 0.000 1.084 21 Y CA -0.139 57.613 58.100 -0.579 0.000 1.275 21 Y CB 0.344 38.122 38.460 -1.136 0.000 1.208 21 Y HN -0.141 8.139 8.280 -0.000 0.000 0.511 22 F N -0.286 119.609 119.950 -0.092 0.000 2.536 22 F HA 0.109 4.636 4.527 0.001 0.000 0.278 22 F C 1.782 177.549 175.800 -0.056 0.000 0.945 22 F CA 0.092 58.074 58.000 -0.031 0.000 1.244 22 F CB -1.005 38.015 39.000 0.033 0.000 1.118 22 F HN -0.162 8.138 8.300 -0.000 0.000 0.725 23 D N 1.205 121.694 120.400 0.149 0.000 2.149 23 D HA -0.147 4.494 4.640 0.001 0.000 0.198 23 D C 2.064 178.368 176.300 0.007 0.000 0.990 23 D CA 1.570 55.608 54.000 0.062 0.000 0.839 23 D CB -0.510 40.306 40.800 0.027 0.000 0.948 23 D HN 0.368 8.738 8.370 -0.000 0.000 0.460 24 I N -0.914 119.635 120.570 -0.035 0.000 2.756 24 I HA -0.067 4.103 4.170 0.001 0.000 0.262 24 I C 0.349 176.435 176.117 -0.052 0.000 1.225 24 I CA 0.184 61.447 61.300 -0.062 0.000 1.472 24 I CB -0.656 37.276 38.000 -0.113 0.000 1.094 24 I HN -0.219 7.991 8.210 -0.000 0.000 0.454 25 N N 2.157 120.835 118.700 -0.037 0.000 2.530 25 N HA 0.134 4.874 4.740 0.001 0.000 0.277 25 N C 0.728 176.225 175.510 -0.021 0.000 1.168 25 N CA -0.208 52.819 53.050 -0.038 0.000 0.979 25 N CB 1.050 39.513 38.487 -0.039 0.000 1.141 25 N HN 0.245 8.625 8.380 -0.000 0.000 0.459 26 K N 0.763 121.149 120.400 -0.022 0.000 2.211 26 K HA -0.144 4.177 4.320 0.001 0.000 0.204 26 K C 0.647 177.242 176.600 -0.009 0.000 1.047 26 K CA 1.191 57.470 56.287 -0.013 0.000 0.935 26 K CB -0.019 32.475 32.500 -0.010 0.000 0.728 26 K HN 0.547 8.797 8.250 -0.000 0.000 0.452 27 N N -0.642 118.051 118.700 -0.012 0.000 2.270 27 N HA 0.033 4.774 4.740 0.001 0.000 0.198 27 N C 0.859 176.361 175.510 -0.015 0.000 1.117 27 N CA 0.631 53.673 53.050 -0.012 0.000 0.845 27 N CB 0.502 38.980 38.487 -0.015 0.000 0.980 27 N HN 0.150 8.530 8.380 -0.000 0.000 0.486 28 G N -0.192 108.606 108.800 -0.004 0.000 2.180 28 G HA2 -0.349 3.611 3.960 0.001 0.000 0.263 28 G HA3 -0.349 3.611 3.960 0.001 0.000 0.263 28 G C -0.196 174.699 174.900 -0.009 0.000 0.989 28 G CA 0.818 45.925 45.100 0.012 0.000 0.692 28 G HN 0.533 8.823 8.290 -0.000 0.000 0.526 29 K N -0.543 119.831 120.400 -0.043 0.000 2.258 29 K HA 0.470 4.790 4.320 0.001 0.000 0.236 29 K C 0.352 176.940 176.600 -0.020 0.000 1.008 29 K CA -1.092 55.112 56.287 -0.139 0.000 0.869 29 K CB 1.128 33.558 32.500 -0.118 0.000 1.171 29 K HN 0.245 8.495 8.250 -0.000 0.000 0.447 30 H N 1.341 120.324 119.070 -0.146 0.000 3.016 30 H HA -0.082 4.475 4.556 0.001 0.000 0.345 30 H C 0.968 176.333 175.328 0.063 0.000 1.066 30 H CA 0.368 56.506 56.048 0.149 0.000 1.390 30 H CB 0.923 30.812 29.762 0.212 0.000 1.344 30 H HN 0.455 8.735 8.280 -0.000 0.000 0.605 31 L N 5.809 126.879 121.223 -0.255 0.000 2.189 31 L HA -0.192 4.148 4.340 0.001 0.000 0.214 31 L C 2.487 179.399 176.870 0.069 0.000 1.097 31 L CA 1.758 56.536 54.840 -0.105 0.000 0.764 31 L CB -0.671 41.269 42.059 -0.198 0.000 0.900 31 L HN 0.630 8.860 8.230 -0.000 0.000 0.436 32 V N -3.935 116.160 119.914 0.303 0.000 3.041 32 V HA 0.020 4.141 4.120 0.001 0.000 0.260 32 V C 0.927 177.075 176.094 0.090 0.000 1.105 32 V CA 0.089 62.489 62.300 0.166 0.000 1.125 32 V CB -0.792 31.109 31.823 0.130 0.000 0.730 32 V HN 0.114 8.304 8.190 -0.000 0.000 0.479 33 L N 2.215 123.494 121.223 0.093 0.000 2.261 33 L HA 0.811 5.152 4.340 0.001 0.000 0.289 33 L C 0.740 177.630 176.870 0.032 0.000 1.059 33 L CA 0.726 55.592 54.840 0.043 0.000 0.816 33 L CB 0.311 42.376 42.059 0.010 0.000 1.191 33 L HN 0.305 8.535 8.230 -0.000 0.000 0.431 34 G N 2.788 111.618 108.800 0.051 0.000 3.039 34 G HA2 0.338 4.299 3.960 0.001 0.000 0.159 34 G HA3 0.338 4.299 3.960 0.001 0.000 0.159 34 G C -0.536 174.414 174.900 0.083 0.000 1.284 34 G CA -0.589 44.542 45.100 0.053 0.000 0.996 34 G HN 0.394 8.684 8.290 -0.000 0.000 0.592 35 K N 0.173 120.651 120.400 0.130 0.000 2.202 35 K HA 0.184 4.505 4.320 0.001 0.000 0.264 35 K C 0.099 176.825 176.600 0.210 0.000 1.010 35 K CA -0.136 56.247 56.287 0.160 0.000 0.940 35 K CB 0.777 33.388 32.500 0.185 0.000 0.983 35 K HN 0.471 8.721 8.250 -0.000 0.000 0.475 36 Q N 1.596 121.453 119.800 0.095 0.000 2.314 36 Q HA 0.227 4.567 4.340 0.001 0.000 0.258 36 Q C -0.966 174.988 176.000 -0.077 0.000 0.954 36 Q CA -0.512 55.292 55.803 0.001 0.000 0.890 36 Q CB 1.154 29.878 28.738 -0.023 0.000 1.210 36 Q HN 0.646 8.916 8.270 -0.000 0.000 0.410 37 A N 3.132 125.737 122.820 -0.359 0.000 2.332 37 A HA 0.519 4.839 4.320 0.001 0.000 0.258 37 A C -0.520 176.896 177.584 -0.281 0.000 1.087 37 A CA -0.352 51.297 52.037 -0.647 0.000 0.802 37 A CB 0.817 19.144 19.000 -1.122 0.000 1.042 37 A HN 0.804 8.954 8.150 -0.000 0.000 0.489 38 S N 0.871 116.454 115.700 -0.195 0.000 2.689 38 S HA 0.723 5.193 4.470 0.001 0.000 0.306 38 S C -2.914 171.632 174.600 -0.089 0.000 1.104 38 S CA -1.287 56.854 58.200 -0.099 0.000 0.973 38 S CB 1.343 64.521 63.200 -0.037 0.000 1.121 38 S HN 0.562 8.872 8.310 -0.000 0.000 0.523 39 P HA 0.458 4.878 4.420 -0.000 0.000 0.286 39 P C -1.373 175.917 177.300 -0.016 0.000 1.269 39 P CA -0.353 62.725 63.100 -0.036 0.000 0.787 39 P CB 0.273 31.955 31.700 -0.030 0.000 0.920 40 D N 1.510 121.908 120.400 -0.003 0.000 2.551 40 D HA 0.164 4.805 4.640 0.001 0.000 0.294 40 D C -0.340 175.969 176.300 0.015 0.000 1.201 40 D CA -0.226 53.773 54.000 -0.002 0.000 0.941 40 D CB -0.177 40.626 40.800 0.006 0.000 0.995 40 D HN 0.153 8.523 8.370 -0.000 0.000 0.502 41 D N 0.482 120.886 120.400 0.007 0.000 2.390 41 D HA 0.075 4.715 4.640 0.001 0.000 0.236 41 D C 0.593 176.937 176.300 0.073 0.000 1.189 41 D CA 0.180 54.221 54.000 0.068 0.000 0.887 41 D CB 1.073 41.897 40.800 0.039 0.000 1.198 41 D HN 0.246 8.616 8.370 -0.000 0.000 0.444 42 I N 2.472 123.133 120.570 0.151 0.000 2.301 42 I HA 0.099 4.269 4.170 0.001 0.000 0.292 42 I C -0.072 176.152 176.117 0.180 0.000 1.046 42 I CA -0.459 60.920 61.300 0.131 0.000 1.282 42 I CB 0.568 38.639 38.000 0.118 0.000 1.409 42 I HN -0.013 8.197 8.210 -0.000 0.000 0.484 43 I N 8.128 128.763 120.570 0.108 0.000 2.321 43 I HA 0.283 4.454 4.170 0.001 0.000 0.291 43 I C 0.049 176.240 176.117 0.122 0.000 0.998 43 I CA -0.427 60.940 61.300 0.113 0.000 1.227 43 I CB 1.222 39.230 38.000 0.013 0.000 1.368 43 I HN 0.534 8.744 8.210 -0.000 0.000 0.466 44 L N 6.428 127.745 121.223 0.157 0.000 2.913 44 L HA 0.340 4.680 4.340 0.001 0.000 0.283 44 L C 0.844 177.811 176.870 0.162 0.000 1.336 44 L CA 0.162 55.091 54.840 0.148 0.000 0.815 44 L CB 0.303 42.447 42.059 0.142 0.000 1.188 44 L HN 0.605 8.835 8.230 -0.000 0.000 0.551 45 Q N -1.102 118.783 119.800 0.142 0.000 2.369 45 Q HA 0.184 4.524 4.340 0.001 0.000 0.254 45 Q C 0.827 176.899 176.000 0.121 0.000 0.858 45 Q CA -0.078 55.812 55.803 0.145 0.000 0.961 45 Q CB 1.281 30.092 28.738 0.122 0.000 1.119 45 Q HN 0.371 8.641 8.270 -0.000 0.000 0.538 46 S N 0.693 116.443 115.700 0.082 0.000 2.565 46 S HA 0.131 4.602 4.470 0.001 0.000 0.276 46 S C 0.314 174.893 174.600 -0.035 0.000 1.326 46 S CA -0.332 57.886 58.200 0.029 0.000 1.045 46 S CB 0.444 63.652 63.200 0.013 0.000 0.918 46 S HN 0.244 8.554 8.310 -0.000 0.000 0.505 47 N N 2.082 120.699 118.700 -0.138 0.000 2.383 47 N HA 0.068 4.809 4.740 0.001 0.000 0.192 47 N C -0.563 174.501 175.510 -0.744 0.000 1.141 47 N CA -0.037 52.710 53.050 -0.505 0.000 0.851 47 N CB 0.182 38.522 38.487 -0.246 0.000 0.976 47 N HN 0.510 8.890 8.380 -0.000 0.000 0.465 48 D N -0.007 120.203 120.400 -0.317 0.000 2.600 48 D HA -0.037 4.604 4.640 0.001 0.000 0.226 48 D C 0.290 176.552 176.300 -0.063 0.000 1.119 48 D CA -0.177 53.730 54.000 -0.155 0.000 1.051 48 D CB -0.187 40.589 40.800 -0.040 0.000 1.106 48 D HN 0.182 8.552 8.370 -0.000 0.000 0.491 49 Y N 0.882 121.242 120.300 0.100 0.000 2.274 49 Y HA -0.068 4.482 4.550 0.001 0.000 0.290 49 Y C 1.794 177.739 175.900 0.075 0.000 1.145 49 Y CA 0.811 58.969 58.100 0.097 0.000 1.203 49 Y CB -0.164 38.365 38.460 0.115 0.000 0.984 49 Y HN 0.349 8.629 8.280 -0.000 0.000 0.533 50 L N -0.455 120.881 121.223 0.189 0.000 2.741 50 L HA 0.411 4.751 4.340 0.001 0.000 0.237 50 L C 0.934 177.862 176.870 0.097 0.000 1.178 50 L CA 0.032 54.947 54.840 0.125 0.000 0.973 50 L CB -0.521 41.584 42.059 0.077 0.000 1.255 50 L HN 0.136 8.366 8.230 -0.000 0.000 0.498 51 A N 0.750 123.626 122.820 0.094 0.000 2.466 51 A HA -0.204 4.116 4.320 0.001 0.000 0.295 51 A C 0.895 178.528 177.584 0.083 0.000 1.465 51 A CA 0.786 52.870 52.037 0.078 0.000 0.744 51 A CB -1.864 17.183 19.000 0.079 0.000 1.098 51 A HN 0.510 8.660 8.150 -0.000 0.000 0.402 52 L N -1.254 120.014 121.223 0.075 0.000 2.640 52 L HA 0.187 4.527 4.340 0.001 0.000 0.230 52 L C 2.510 179.442 176.870 0.104 0.000 1.123 52 L CA 0.578 55.477 54.840 0.099 0.000 0.900 52 L CB -0.302 41.773 42.059 0.027 0.000 1.146 52 L HN 0.682 8.912 8.230 -0.000 0.000 0.484 53 A N 0.827 123.692 122.820 0.075 0.000 1.948 53 A HA -0.247 4.074 4.320 0.001 0.000 0.220 53 A C 1.819 179.449 177.584 0.077 0.000 1.177 53 A CA 2.198 54.276 52.037 0.068 0.000 0.636 53 A CB -0.430 18.596 19.000 0.043 0.000 0.815 53 A HN 0.446 8.596 8.150 -0.000 0.000 0.449 54 N N -1.096 117.649 118.700 0.074 0.000 2.275 54 N HA 0.028 4.769 4.740 0.001 0.000 0.236 54 N C -0.066 175.485 175.510 0.068 0.000 1.154 54 N CA -0.289 52.796 53.050 0.057 0.000 0.866 54 N CB -0.254 38.248 38.487 0.025 0.000 1.093 54 N HN 0.476 8.856 8.380 -0.000 0.000 0.515 55 H N 1.038 120.117 119.070 0.016 0.000 3.046 55 H HA 0.067 4.623 4.556 0.001 0.000 0.303 55 H C -1.585 173.750 175.328 0.012 0.000 1.002 55 H CA -1.004 55.050 56.048 0.010 0.000 1.460 55 H CB 1.353 31.119 29.762 0.006 0.000 1.493 55 H HN 0.160 8.440 8.280 -0.000 0.000 0.559 56 P HA -0.175 4.245 4.420 -0.000 0.000 0.216 56 P C 1.807 179.193 177.300 0.143 0.000 1.153 56 P CA 1.103 64.221 63.100 0.029 0.000 0.858 56 P CB 0.305 31.965 31.700 -0.067 0.000 0.789 57 L N -1.670 119.752 121.223 0.330 0.000 2.072 57 L HA -0.107 4.234 4.340 0.001 0.000 0.205 57 L C 2.450 179.396 176.870 0.126 0.000 1.079 57 L CA 1.162 56.131 54.840 0.215 0.000 0.752 57 L CB -0.676 41.515 42.059 0.221 0.000 0.906 57 L HN -0.077 8.153 8.230 -0.000 0.000 0.436 58 I N -0.144 120.505 120.570 0.132 0.000 2.179 58 I HA -0.313 3.858 4.170 0.001 0.000 0.242 58 I C 2.563 178.728 176.117 0.081 0.000 1.088 58 I CA 1.439 62.770 61.300 0.051 0.000 1.357 58 I CB -0.345 37.673 38.000 0.031 0.000 1.051 58 I HN 0.213 8.423 8.210 -0.000 0.000 0.409 59 K N 1.003 121.465 120.400 0.103 0.000 2.032 59 K HA -0.170 4.150 4.320 0.001 0.000 0.209 59 K C 2.302 178.939 176.600 0.063 0.000 1.048 59 K CA 1.613 57.950 56.287 0.084 0.000 0.927 59 K CB -0.345 32.199 32.500 0.073 0.000 0.712 59 K HN 0.324 8.574 8.250 -0.000 0.000 0.441 60 A N 1.789 124.644 122.820 0.059 0.000 1.883 60 A HA -0.225 4.095 4.320 0.001 0.000 0.217 60 A C 2.164 179.770 177.584 0.036 0.000 1.186 60 A CA 1.859 53.921 52.037 0.041 0.000 0.624 60 A CB -0.491 18.533 19.000 0.040 0.000 0.822 60 A HN 0.182 8.332 8.150 -0.000 0.000 0.444 61 R N -0.166 120.357 120.500 0.039 0.000 2.091 61 R HA -0.028 4.313 4.340 0.001 0.000 0.238 61 R C 1.962 178.287 176.300 0.041 0.000 1.136 61 R CA 1.629 57.748 56.100 0.031 0.000 0.959 61 R CB -0.769 29.543 30.300 0.019 0.000 0.856 61 R HN 0.524 8.794 8.270 -0.000 0.000 0.437 62 L N -0.397 120.862 121.223 0.060 0.000 1.994 62 L HA -0.147 4.193 4.340 0.001 0.000 0.208 62 L C 2.417 179.320 176.870 0.055 0.000 1.071 62 L CA 1.560 56.458 54.840 0.096 0.000 0.745 62 L CB -0.638 41.505 42.059 0.139 0.000 0.892 62 L HN 0.419 8.649 8.230 -0.000 0.000 0.431 63 A N -0.431 122.405 122.820 0.027 0.000 1.883 63 A HA -0.280 4.041 4.320 0.001 0.000 0.217 63 A C 2.347 179.913 177.584 -0.030 0.000 1.186 63 A CA 1.983 54.011 52.037 -0.015 0.000 0.624 63 A CB -0.545 18.452 19.000 -0.004 0.000 0.822 63 A HN 0.308 8.458 8.150 -0.000 0.000 0.444 64 K N -0.393 120.004 120.400 -0.005 0.000 2.020 64 K HA -0.170 4.150 4.320 0.001 0.000 0.212 64 K C 2.372 178.966 176.600 -0.010 0.000 1.050 64 K CA 1.843 58.127 56.287 -0.005 0.000 0.929 64 K CB -0.272 32.233 32.500 0.008 0.000 0.714 64 K HN 0.454 8.704 8.250 -0.000 0.000 0.443 65 S N 0.974 116.680 115.700 0.011 0.000 2.382 65 S HA -0.138 4.332 4.470 0.001 0.000 0.228 65 S C 1.792 176.379 174.600 -0.022 0.000 1.027 65 S CA 1.402 59.625 58.200 0.037 0.000 0.991 65 S CB -0.210 63.054 63.200 0.107 0.000 0.823 65 S HN 0.384 8.694 8.310 -0.000 0.000 0.469 66 L N 0.014 121.137 121.223 -0.167 0.000 2.179 66 L HA 0.216 4.557 4.340 0.001 0.000 0.208 66 L C 0.430 177.146 176.870 -0.256 0.000 1.096 66 L CA 0.806 55.358 54.840 -0.480 0.000 0.779 66 L CB -0.785 40.818 42.059 -0.760 0.000 0.922 66 L HN 0.043 8.273 8.230 -0.000 0.000 0.443 67 L N 2.092 123.230 121.223 -0.142 0.000 2.473 67 L HA 0.185 4.525 4.340 0.001 0.000 0.268 67 L C 0.759 177.596 176.870 -0.055 0.000 1.215 67 L CA 0.615 55.405 54.840 -0.084 0.000 0.823 67 L CB -0.166 41.861 42.059 -0.053 0.000 1.099 67 L HN 0.819 9.049 8.230 -0.000 0.000 0.483 76 S N 0.293 116.132 115.700 0.232 0.000 2.564 76 S HA 0.588 5.058 4.470 0.001 0.000 0.278 76 S C 1.025 175.673 174.600 0.079 0.000 1.333 76 S CA 0.333 58.606 58.200 0.122 0.000 1.048 76 S CB 1.251 64.471 63.200 0.034 0.000 0.900 76 S HN 0.962 9.272 8.310 -0.000 0.000 0.505 77 A N 4.022 126.813 122.820 -0.048 0.000 2.209 77 A HA 0.077 4.397 4.320 0.001 0.000 0.212 77 A C 2.173 179.637 177.584 -0.200 0.000 1.158 77 A CA 1.228 53.208 52.037 -0.095 0.000 0.742 77 A CB -0.786 18.139 19.000 -0.125 0.000 0.790 77 A HN 0.819 8.969 8.150 -0.000 0.000 0.472 78 S N -0.425 115.086 115.700 -0.316 0.000 2.399 78 S HA -0.097 4.373 4.470 0.001 0.000 0.231 78 S C 1.095 175.502 174.600 -0.321 0.000 1.022 78 S CA 1.211 59.123 58.200 -0.481 0.000 0.983 78 S CB -0.449 62.387 63.200 -0.606 0.000 0.803 78 S HN 0.649 8.959 8.310 -0.000 0.000 0.480 79 F N 0.772 120.710 119.950 -0.019 0.000 2.811 79 F HA 0.302 4.829 4.527 0.001 0.000 0.301 79 F C 1.030 176.823 175.800 -0.011 0.000 1.151 79 F CA 0.343 58.352 58.000 0.015 0.000 1.412 79 F CB -0.227 38.777 39.000 0.006 0.000 1.113 79 F HN 0.082 8.382 8.300 -0.000 0.000 0.579 80 L N 0.027 121.290 121.223 0.068 0.000 3.110 80 L HA 0.215 4.556 4.340 0.001 0.000 0.266 80 L C 1.156 177.974 176.870 -0.087 0.000 1.257 80 L CA -0.017 54.821 54.840 -0.005 0.000 1.038 80 L CB 0.051 42.105 42.059 -0.008 0.000 1.395 80 L HN -0.027 8.203 8.230 -0.000 0.000 0.566 81 Q N -0.170 119.586 119.800 -0.073 0.000 2.360 81 Q HA 0.187 4.527 4.340 0.001 0.000 0.202 81 Q C 0.206 176.149 176.000 -0.094 0.000 0.915 81 Q CA 0.071 55.825 55.803 -0.082 0.000 0.943 81 Q CB 0.189 28.902 28.738 -0.040 0.000 1.064 81 Q HN 0.412 8.682 8.270 -0.000 0.000 0.511 82 N N 2.200 120.778 118.700 -0.204 0.000 2.454 82 N HA -0.063 4.677 4.740 0.001 0.000 0.254 82 N C 0.584 175.815 175.510 -0.464 0.000 1.228 82 N CA 0.202 53.002 53.050 -0.416 0.000 0.900 82 N CB 0.780 38.751 38.487 -0.861 0.000 1.089 82 N HN 0.039 8.419 8.380 -0.000 0.000 0.449 83 D N 1.117 121.336 120.400 -0.301 0.000 2.149 83 D HA -0.244 4.396 4.640 0.001 0.000 0.194 83 D C 1.573 177.807 176.300 -0.111 0.000 1.001 83 D CA 1.844 55.766 54.000 -0.129 0.000 0.849 83 D CB -0.339 40.465 40.800 0.007 0.000 0.939 83 D HN 0.772 9.142 8.370 -0.000 0.000 0.449 84 Y N -0.363 119.949 120.300 0.020 0.000 2.583 84 Y HA 0.160 4.710 4.550 0.001 0.000 0.293 84 Y C 1.288 177.196 175.900 0.014 0.000 1.157 84 Y CA 0.352 58.462 58.100 0.016 0.000 1.315 84 Y CB -0.145 38.325 38.460 0.018 0.000 1.021 84 Y HN -0.212 8.068 8.280 -0.000 0.000 0.536 85 D N 0.520 120.789 120.400 -0.217 0.000 2.366 85 D HA 0.054 4.695 4.640 0.001 0.000 0.205 85 D C 0.001 176.258 176.300 -0.073 0.000 1.022 85 D CA 0.356 54.301 54.000 -0.091 0.000 0.868 85 D CB 0.197 40.905 40.800 -0.153 0.000 0.953 85 D HN 0.356 8.726 8.370 -0.000 0.000 0.514 86 K N 1.987 122.331 120.400 -0.095 0.000 2.234 86 K HA 0.313 4.634 4.320 0.001 0.000 0.282 86 K C -2.424 174.145 176.600 -0.051 0.000 1.039 86 K CA -1.495 54.744 56.287 -0.079 0.000 0.928 86 K CB 1.075 33.521 32.500 -0.089 0.000 1.039 86 K HN -0.116 8.134 8.250 -0.000 0.000 0.470 87 P HA 0.068 4.488 4.420 -0.000 0.000 0.271 87 P C 0.598 177.874 177.300 -0.041 0.000 1.216 87 P CA -0.317 62.754 63.100 -0.049 0.000 0.776 87 P CB 0.571 32.228 31.700 -0.072 0.000 0.881 88 M N 1.709 121.295 119.600 -0.024 0.000 2.279 88 M HA -0.112 4.369 4.480 0.001 0.000 0.264 88 M C 1.681 177.970 176.300 -0.018 0.000 1.062 88 M CA 1.283 56.576 55.300 -0.012 0.000 1.099 88 M CB -0.879 31.721 32.600 -0.001 0.000 1.394 88 M HN 0.406 8.696 8.290 -0.000 0.000 0.426 89 I N 1.004 121.550 120.570 -0.039 0.000 2.361 89 I HA -0.231 3.939 4.170 0.001 0.000 0.251 89 I C 1.923 178.010 176.117 -0.049 0.000 1.133 89 I CA 1.696 62.968 61.300 -0.047 0.000 1.413 89 I CB -0.310 37.640 38.000 -0.083 0.000 1.073 89 I HN 0.312 8.522 8.210 -0.000 0.000 0.424 90 E N 0.139 120.295 120.200 -0.074 0.000 2.077 90 E HA -0.226 4.125 4.350 0.001 0.000 0.193 90 E C 2.028 178.615 176.600 -0.023 0.000 0.989 90 E CA 1.071 57.413 56.400 -0.096 0.000 0.800 90 E CB -0.108 29.521 29.700 -0.118 0.000 0.746 90 E HN 0.356 8.716 8.360 -0.000 0.000 0.452 91 K N 0.724 121.127 120.400 0.006 0.000 2.057 91 K HA -0.089 4.232 4.320 0.001 0.000 0.207 91 K C 2.078 178.732 176.600 0.091 0.000 1.049 91 K CA 0.997 57.313 56.287 0.047 0.000 0.931 91 K CB -0.248 32.274 32.500 0.037 0.000 0.714 91 K HN 0.111 8.361 8.250 -0.000 0.000 0.440 92 R N 0.485 121.033 120.500 0.079 0.000 2.092 92 R HA 0.017 4.358 4.340 0.001 0.000 0.231 92 R C 2.510 178.935 176.300 0.208 0.000 1.119 92 R CA 0.830 56.999 56.100 0.114 0.000 0.970 92 R CB -0.336 30.003 30.300 0.065 0.000 0.864 92 R HN 0.111 8.381 8.270 -0.000 0.000 0.440 93 L N 0.119 121.466 121.223 0.208 0.000 2.093 93 L HA -0.113 4.227 4.340 0.001 0.000 0.208 93 L C 2.642 179.887 176.870 0.626 0.000 1.085 93 L CA 1.017 56.101 54.840 0.405 0.000 0.755 93 L CB -0.488 41.720 42.059 0.248 0.000 0.904 93 L HN 0.242 8.472 8.230 -0.000 0.000 0.435 94 A N 0.169 123.244 122.820 0.426 0.000 1.902 94 A HA -0.257 4.064 4.320 0.001 0.000 0.217 94 A C 2.381 180.171 177.584 0.344 0.000 1.181 94 A CA 1.963 54.273 52.037 0.455 0.000 0.623 94 A CB -0.410 18.750 19.000 0.267 0.000 0.818 94 A HN 0.339 8.489 8.150 -0.000 0.000 0.443 95 K N -1.532 119.028 120.400 0.266 0.000 2.057 95 K HA -0.163 4.157 4.320 0.001 0.000 0.206 95 K C 1.818 178.564 176.600 0.243 0.000 1.050 95 K CA 1.586 57.997 56.287 0.207 0.000 0.935 95 K CB -0.365 32.235 32.500 0.168 0.000 0.715 95 K HN 0.342 8.592 8.250 -0.000 0.000 0.439 96 F N 1.517 121.557 119.950 0.151 0.000 2.126 96 F HA -0.207 4.320 4.527 0.001 0.000 0.299 96 F C 2.214 178.071 175.800 0.096 0.000 1.096 96 F CA 2.002 60.082 58.000 0.133 0.000 1.255 96 F CB -0.742 38.369 39.000 0.186 0.000 0.997 96 F HN 0.009 8.309 8.300 -0.000 0.000 0.479 97 T N -1.262 113.291 114.554 -0.002 0.000 3.051 97 T HA 0.265 4.615 4.350 0.001 0.000 0.255 97 T C 1.435 176.099 174.700 -0.059 0.000 1.085 97 T CA 1.054 63.020 62.100 -0.222 0.000 1.109 97 T CB -0.467 68.177 68.868 -0.374 0.000 0.921 97 T HN 0.621 8.861 8.240 -0.000 0.000 0.488 98 G N 0.387 109.214 108.800 0.045 0.000 2.175 98 G HA2 -0.184 3.776 3.960 0.001 0.000 0.244 98 G HA3 -0.184 3.776 3.960 0.001 0.000 0.244 98 G C 0.064 174.953 174.900 -0.019 0.000 0.982 98 G CA -0.207 44.887 45.100 -0.010 0.000 0.641 98 G HN 0.469 8.759 8.290 -0.000 0.000 0.527 99 F N 1.404 121.361 119.950 0.011 0.000 2.406 99 F HA 0.443 4.970 4.527 0.001 0.000 0.327 99 F C 1.657 177.530 175.800 0.121 0.000 1.153 99 F CA 0.065 58.112 58.000 0.077 0.000 1.218 99 F CB 0.616 39.723 39.000 0.178 0.000 1.215 99 F HN -0.092 8.208 8.300 -0.000 0.000 0.570 100 D N 0.236 120.789 120.400 0.255 0.000 2.097 100 D HA -0.082 4.558 4.640 0.001 0.000 0.197 100 D C 0.245 176.654 176.300 0.182 0.000 0.984 100 D CA 1.554 55.650 54.000 0.160 0.000 0.826 100 D CB 0.151 41.012 40.800 0.100 0.000 0.973 100 D HN 0.424 8.794 8.370 -0.000 0.000 0.460 101 E N -0.863 119.471 120.200 0.222 0.000 2.340 101 E HA 0.374 4.724 4.350 0.001 0.000 0.273 101 E C -1.056 175.593 176.600 0.082 0.000 0.891 101 E CA -0.582 55.897 56.400 0.131 0.000 0.757 101 E CB 2.871 32.623 29.700 0.087 0.000 1.231 101 E HN 0.005 8.365 8.360 -0.000 0.000 0.439 102 C N 2.635 121.888 119.300 -0.078 0.000 2.547 102 C HA 0.708 5.168 4.460 0.001 0.000 0.313 102 C C -1.435 173.362 174.990 -0.322 0.000 1.191 102 C CA -0.589 58.198 59.018 -0.385 0.000 1.474 102 C CB 0.337 27.741 27.740 -0.559 0.000 2.081 102 C HN 0.662 8.892 8.230 -0.000 0.000 0.476 103 L N 6.689 127.681 121.223 -0.385 0.000 2.356 103 L HA 0.613 4.953 4.340 0.001 0.000 0.277 103 L C -0.842 175.829 176.870 -0.333 0.000 0.996 103 L CA -0.384 54.284 54.840 -0.287 0.000 0.822 103 L CB 1.381 43.314 42.059 -0.211 0.000 1.256 103 L HN 0.648 8.878 8.230 -0.000 0.000 0.413 104 L N 3.108 124.168 121.223 -0.271 0.000 2.436 104 L HA 0.460 4.801 4.340 0.001 0.000 0.265 104 L C 0.330 177.092 176.870 -0.179 0.000 1.168 104 L CA 0.368 55.063 54.840 -0.241 0.000 0.815 104 L CB 1.497 43.439 42.059 -0.194 0.000 1.109 104 L HN 0.868 9.098 8.230 -0.000 0.000 0.462 105 S N 0.773 116.388 115.700 -0.142 0.000 2.651 105 S HA 0.338 4.808 4.470 0.001 0.000 0.279 105 S C 0.180 174.756 174.600 -0.039 0.000 1.148 105 S CA -0.503 57.646 58.200 -0.086 0.000 0.837 105 S CB 1.728 64.882 63.200 -0.076 0.000 1.138 105 S HN 0.596 8.906 8.310 -0.000 0.000 0.478 106 Q N 0.889 120.687 119.800 -0.004 0.000 2.435 106 Q HA 0.264 4.605 4.340 0.001 0.000 0.207 106 Q C 0.199 176.219 176.000 0.033 0.000 0.956 106 Q CA 0.394 56.206 55.803 0.015 0.000 0.917 106 Q CB 0.259 29.011 28.738 0.022 0.000 0.997 106 Q HN 0.660 8.930 8.270 -0.000 0.000 0.497 107 S N -3.765 111.966 115.700 0.052 0.000 2.611 107 S HA 0.473 4.943 4.470 0.001 0.000 0.270 107 S C 0.708 175.361 174.600 0.088 0.000 1.131 107 S CA -0.615 57.633 58.200 0.079 0.000 0.826 107 S CB 0.486 63.760 63.200 0.122 0.000 1.095 107 S HN 0.064 8.374 8.310 -0.000 0.000 0.461 108 G N 0.635 109.487 108.800 0.087 0.000 2.422 108 G HA2 -0.146 3.815 3.960 0.001 0.000 0.218 108 G HA3 -0.146 3.815 3.960 0.001 0.000 0.218 108 G C 1.158 176.129 174.900 0.118 0.000 1.146 108 G CA 0.966 46.103 45.100 0.062 0.000 0.769 108 G HN 0.761 9.051 8.290 -0.000 0.000 0.547 109 W N 1.929 123.245 121.300 0.026 0.000 2.335 109 W HA -0.140 4.521 4.660 0.001 0.000 0.311 109 W C 1.825 178.377 176.519 0.056 0.000 1.213 109 W CA 1.624 59.015 57.345 0.077 0.000 1.274 109 W CB -0.397 29.127 29.460 0.108 0.000 1.148 109 W HN 0.190 8.370 8.180 -0.000 0.000 0.498 110 N N 0.720 119.614 118.700 0.323 0.000 2.244 110 N HA -0.100 4.640 4.740 0.001 0.000 0.183 110 N C 1.917 177.446 175.510 0.032 0.000 1.016 110 N CA 2.002 55.173 53.050 0.201 0.000 0.866 110 N CB -1.005 37.591 38.487 0.182 0.000 0.980 110 N HN 0.186 8.566 8.380 -0.000 0.000 0.430 111 A N 1.432 124.254 122.820 0.002 0.000 1.858 111 A HA -0.152 4.168 4.320 0.001 0.000 0.216 111 A C 2.077 179.603 177.584 -0.096 0.000 1.190 111 A CA 1.475 53.477 52.037 -0.058 0.000 0.617 111 A CB -0.549 18.417 19.000 -0.057 0.000 0.827 111 A HN 0.210 8.360 8.150 -0.000 0.000 0.443 112 N N 0.024 118.653 118.700 -0.119 0.000 2.084 112 N HA -0.113 4.627 4.740 0.001 0.000 0.190 112 N C 1.730 177.102 175.510 -0.230 0.000 1.030 112 N CA 1.597 54.540 53.050 -0.178 0.000 0.849 112 N CB -0.690 37.675 38.487 -0.204 0.000 1.012 112 N HN 0.222 8.602 8.380 -0.000 0.000 0.423 113 V N 0.732 120.482 119.914 -0.274 0.000 2.343 113 V HA -0.146 3.974 4.120 0.001 0.000 0.247 113 V C 2.317 178.344 176.094 -0.112 0.000 1.051 113 V CA 2.061 64.226 62.300 -0.225 0.000 1.036 113 V CB -1.099 30.632 31.823 -0.154 0.000 0.654 113 V HN 0.376 8.566 8.190 -0.000 0.000 0.451 114 G N -0.487 108.264 108.800 -0.082 0.000 2.394 114 G HA2 -0.210 3.751 3.960 0.001 0.000 0.215 114 G HA3 -0.210 3.751 3.960 0.001 0.000 0.215 114 G C 1.553 176.376 174.900 -0.128 0.000 1.165 114 G CA 0.958 46.013 45.100 -0.075 0.000 0.784 114 G HN 0.427 8.717 8.290 -0.000 0.000 0.535 115 L N 0.578 121.704 121.223 -0.161 0.000 2.017 115 L HA 0.079 4.420 4.340 0.001 0.000 0.208 115 L C 2.665 179.379 176.870 -0.260 0.000 1.073 115 L CA 1.470 56.174 54.840 -0.227 0.000 0.745 115 L CB -0.550 41.355 42.059 -0.256 0.000 0.894 115 L HN 0.199 8.429 8.230 -0.000 0.000 0.432 116 L N -0.858 120.225 121.223 -0.233 0.000 2.093 116 L HA -0.215 4.125 4.340 0.001 0.000 0.208 116 L C 2.663 179.423 176.870 -0.182 0.000 1.085 116 L CA 1.550 56.255 54.840 -0.225 0.000 0.755 116 L CB -0.538 41.386 42.059 -0.226 0.000 0.904 116 L HN 0.496 8.726 8.230 -0.000 0.000 0.435 117 Q N -0.398 119.308 119.800 -0.157 0.000 2.170 117 Q HA -0.186 4.155 4.340 0.001 0.000 0.203 117 Q C 1.907 177.824 176.000 -0.139 0.000 0.976 117 Q CA 1.988 57.703 55.803 -0.146 0.000 0.858 117 Q CB 0.088 28.729 28.738 -0.162 0.000 0.907 117 Q HN 0.419 8.689 8.270 -0.000 0.000 0.433 118 T N 1.276 115.746 114.554 -0.140 0.000 2.896 118 T HA -0.044 4.306 4.350 0.001 0.000 0.263 118 T C 1.705 176.342 174.700 -0.106 0.000 1.050 118 T CA 1.299 63.332 62.100 -0.111 0.000 1.140 118 T CB -0.071 68.733 68.868 -0.107 0.000 0.877 118 T HN 0.575 8.815 8.240 -0.000 0.000 0.457 119 I N -1.880 118.595 120.570 -0.158 0.000 3.968 119 I HA 0.358 4.528 4.170 0.001 0.000 0.328 119 I C 0.214 176.270 176.117 -0.102 0.000 1.290 119 I CA -0.426 60.794 61.300 -0.134 0.000 1.163 119 I CB -0.163 37.688 38.000 -0.247 0.000 1.024 119 I HN 0.030 8.240 8.210 -0.000 0.000 0.413 120 C N 2.095 121.326 119.300 -0.116 0.000 2.370 120 C HA 0.509 4.970 4.460 0.001 0.000 0.354 120 C C 0.349 175.294 174.990 -0.075 0.000 1.218 120 C CA -0.156 58.801 59.018 -0.100 0.000 2.154 120 C CB 1.130 28.795 27.740 -0.124 0.000 2.391 120 C HN 0.483 8.713 8.230 -0.000 0.000 0.540 121 Q N 1.475 121.238 119.800 -0.061 0.000 2.306 121 Q HA 0.393 4.733 4.340 0.001 0.000 0.269 121 Q C -2.531 173.438 176.000 -0.052 0.000 1.053 121 Q CA -1.664 54.111 55.803 -0.047 0.000 0.879 121 Q CB 1.045 29.766 28.738 -0.028 0.000 1.344 121 Q HN 0.429 8.699 8.270 -0.000 0.000 0.464 122 P HA -0.043 4.377 4.420 -0.000 0.000 0.265 122 P C -0.832 176.442 177.300 -0.043 0.000 1.193 122 P CA 0.838 63.914 63.100 -0.040 0.000 0.765 122 P CB 0.231 31.916 31.700 -0.024 0.000 0.823 123 N N -1.697 116.967 118.700 -0.059 0.000 2.936 123 N HA -0.154 4.587 4.740 0.001 0.000 0.236 123 N C -0.465 175.001 175.510 -0.074 0.000 0.930 123 N CA 0.913 53.925 53.050 -0.064 0.000 0.966 123 N CB -1.801 36.667 38.487 -0.031 0.000 1.090 123 N HN 0.408 8.788 8.380 -0.000 0.000 0.592 124 T N 1.685 116.189 114.554 -0.083 0.000 2.934 124 T HA -0.014 4.336 4.350 0.001 0.000 0.306 124 T C 0.393 175.004 174.700 -0.150 0.000 1.042 124 T CA 0.025 62.072 62.100 -0.089 0.000 1.145 124 T CB 0.271 69.085 68.868 -0.090 0.000 0.982 124 T HN 0.113 8.353 8.240 -0.000 0.000 0.544 125 N N 2.847 121.464 118.700 -0.139 0.000 2.431 125 N HA 0.168 4.909 4.740 0.001 0.000 0.265 125 N C -0.744 174.516 175.510 -0.416 0.000 1.184 125 N CA -0.027 52.858 53.050 -0.276 0.000 0.943 125 N CB 0.804 39.153 38.487 -0.230 0.000 1.080 125 N HN 0.265 8.645 8.380 -0.000 0.000 0.477 126 V N 4.565 124.184 119.914 -0.492 0.000 2.326 126 V HA 0.215 4.335 4.120 0.001 0.000 0.281 126 V C -0.758 175.085 176.094 -0.417 0.000 1.015 126 V CA -0.744 61.316 62.300 -0.399 0.000 0.823 126 V CB 0.029 31.659 31.823 -0.322 0.000 1.009 126 V HN 0.419 8.609 8.190 -0.000 0.000 0.436 127 Y N 5.467 125.782 120.300 0.025 0.000 2.477 127 Y HA 0.564 5.114 4.550 0.001 0.000 0.349 127 Y C 0.152 176.171 175.900 0.199 0.000 0.977 127 Y CA -0.468 57.709 58.100 0.129 0.000 1.214 127 Y CB 0.920 39.421 38.460 0.069 0.000 1.124 127 Y HN 0.545 8.825 8.280 -0.000 0.000 0.521 128 I N 3.535 124.188 120.570 0.137 0.000 2.465 128 I HA 0.259 4.429 4.170 0.001 0.000 0.291 128 I C -0.409 175.413 176.117 -0.492 0.000 1.014 128 I CA -0.809 60.369 61.300 -0.205 0.000 1.093 128 I CB 1.008 38.561 38.000 -0.745 0.000 1.267 128 I HN 0.544 8.754 8.210 -0.000 0.000 0.431 129 D N 5.311 125.334 120.400 -0.628 0.000 2.455 129 D HA -0.117 4.523 4.640 0.001 0.000 0.241 129 D C 0.832 177.077 176.300 -0.091 0.000 1.138 129 D CA 0.382 53.858 54.000 -0.872 0.000 0.877 129 D CB 0.858 41.545 40.800 -0.189 0.000 1.187 129 D HN 0.587 8.957 8.370 -0.000 0.000 0.451 130 F N 3.425 123.317 119.950 -0.096 0.000 2.192 130 F HA -0.196 4.331 4.527 0.001 0.000 0.301 130 F C 1.230 177.058 175.800 0.047 0.000 1.079 130 F CA 1.351 59.419 58.000 0.113 0.000 1.303 130 F CB -0.045 38.904 39.000 -0.084 0.000 1.024 130 F HN 0.338 8.638 8.300 -0.000 0.000 0.494 131 F N 0.123 120.219 119.950 0.243 0.000 2.664 131 F HA 0.414 4.941 4.527 0.001 0.000 0.303 131 F C 1.232 177.283 175.800 0.418 0.000 1.092 131 F CA -0.016 58.072 58.000 0.148 0.000 1.305 131 F CB -0.871 38.021 39.000 -0.180 0.000 1.054 131 F HN -0.051 8.249 8.300 -0.000 0.000 0.565 132 A N -0.266 122.941 122.820 0.646 0.000 2.466 132 A HA 0.002 4.322 4.320 0.001 0.000 0.238 132 A C 0.355 178.225 177.584 0.477 0.000 1.074 132 A CA -0.246 52.116 52.037 0.542 0.000 0.774 132 A CB -0.143 19.015 19.000 0.263 0.000 1.015 132 A HN 0.390 8.540 8.150 -0.000 0.000 0.498 133 H N 1.489 120.717 119.070 0.263 0.000 2.972 133 H HA -0.012 4.545 4.556 0.001 0.000 0.343 133 H C 1.232 176.718 175.328 0.263 0.000 1.054 133 H CA 0.745 56.934 56.048 0.235 0.000 1.412 133 H CB 0.539 30.403 29.762 0.170 0.000 1.385 133 H HN 0.753 9.033 8.280 -0.000 0.000 0.600 134 M N 3.899 123.283 119.600 -0.359 0.000 2.195 134 M HA -0.228 4.253 4.480 0.001 0.000 0.260 134 M C 2.356 178.560 176.300 -0.159 0.000 1.066 134 M CA 2.078 57.288 55.300 -0.150 0.000 1.089 134 M CB -0.485 32.031 32.600 -0.140 0.000 1.377 134 M HN 0.649 8.939 8.290 -0.000 0.000 0.411 135 S N -0.732 114.831 115.700 -0.228 0.000 2.419 135 S HA -0.125 4.346 4.470 0.001 0.000 0.233 135 S C 1.853 176.147 174.600 -0.510 0.000 1.016 135 S CA 1.375 59.131 58.200 -0.740 0.000 0.974 135 S CB -0.977 61.994 63.200 -0.382 0.000 0.786 135 S HN 0.630 8.940 8.310 -0.000 0.000 0.492 136 L N -1.168 119.940 121.223 -0.191 0.000 2.095 136 L HA 0.132 4.472 4.340 0.001 0.000 0.204 136 L C 2.599 179.305 176.870 -0.273 0.000 1.080 136 L CA 0.952 55.658 54.840 -0.224 0.000 0.759 136 L CB -0.566 41.403 42.059 -0.149 0.000 0.914 136 L HN 0.306 8.536 8.230 -0.000 0.000 0.439 137 W N 0.665 121.805 121.300 -0.267 0.000 2.333 137 W HA -0.172 4.488 4.660 0.001 0.000 0.316 137 W C 2.706 179.016 176.519 -0.348 0.000 1.215 137 W CA 0.905 58.092 57.345 -0.264 0.000 1.278 137 W CB -0.225 29.096 29.460 -0.232 0.000 1.154 137 W HN 0.034 8.214 8.180 -0.000 0.000 0.486 138 E N -0.414 119.650 120.200 -0.225 0.000 2.072 138 E HA -0.120 4.231 4.350 0.001 0.000 0.191 138 E C 2.411 178.443 176.600 -0.947 0.000 0.985 138 E CA 1.478 57.526 56.400 -0.587 0.000 0.801 138 E CB -1.171 28.182 29.700 -0.578 0.000 0.750 138 E HN 0.364 8.724 8.360 -0.000 0.000 0.452 139 G N 1.393 109.768 108.800 -0.708 0.000 2.440 139 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 139 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 139 G C 1.751 176.444 174.900 -0.346 0.000 1.154 139 G CA 1.524 46.316 45.100 -0.513 0.000 0.767 139 G HN 0.402 8.692 8.290 -0.000 0.000 0.552 140 A N 0.429 123.061 122.820 -0.314 0.000 1.898 140 A HA 0.024 4.344 4.320 0.001 0.000 0.216 140 A C 2.332 179.810 177.584 -0.177 0.000 1.181 140 A CA 1.798 53.691 52.037 -0.241 0.000 0.620 140 A CB -0.444 18.390 19.000 -0.277 0.000 0.819 140 A HN 0.362 8.512 8.150 -0.000 0.000 0.442 141 R N -1.688 118.704 120.500 -0.180 0.000 2.092 141 R HA -0.160 4.181 4.340 0.001 0.000 0.231 141 R C 1.784 178.124 176.300 0.068 0.000 1.119 141 R CA 1.681 57.742 56.100 -0.065 0.000 0.970 141 R CB -0.373 29.905 30.300 -0.038 0.000 0.864 141 R HN 0.555 8.825 8.270 -0.000 0.000 0.440 142 Y N -0.145 120.131 120.300 -0.041 0.000 2.274 142 Y HA -0.012 4.539 4.550 0.001 0.000 0.290 142 Y C 2.157 178.015 175.900 -0.069 0.000 1.145 142 Y CA 0.587 58.666 58.100 -0.034 0.000 1.203 142 Y CB -0.711 37.733 38.460 -0.027 0.000 0.984 142 Y HN 0.176 8.456 8.280 -0.000 0.000 0.533 143 A N -0.362 122.488 122.820 0.049 0.000 2.238 143 A HA 0.042 4.362 4.320 0.001 0.000 0.208 143 A C 0.768 178.330 177.584 -0.037 0.000 1.177 143 A CA 0.501 52.520 52.037 -0.030 0.000 0.804 143 A CB -1.115 17.835 19.000 -0.084 0.000 0.823 143 A HN 0.598 8.748 8.150 -0.000 0.000 0.482 144 N N -1.882 116.808 118.700 -0.017 0.000 2.725 144 N HA -0.180 4.561 4.740 0.001 0.000 0.249 144 N C 0.208 175.676 175.510 -0.069 0.000 1.103 144 N CA 0.305 53.337 53.050 -0.030 0.000 0.707 144 N CB -1.334 37.143 38.487 -0.016 0.000 1.043 144 N HN 0.733 9.113 8.380 -0.000 0.000 0.553 145 A N 0.048 122.806 122.820 -0.103 0.000 2.313 145 A HA 0.420 4.740 4.320 0.001 0.000 0.261 145 A C 0.623 178.092 177.584 -0.192 0.000 1.090 145 A CA 0.025 51.974 52.037 -0.147 0.000 0.807 145 A CB 0.474 19.367 19.000 -0.178 0.000 1.055 145 A HN 0.229 8.379 8.150 -0.000 0.000 0.492 146 Q N 0.555 120.202 119.800 -0.255 0.000 2.377 146 Q HA 0.533 4.873 4.340 0.001 0.000 0.249 146 Q C -0.268 175.347 176.000 -0.642 0.000 1.005 146 Q CA 0.262 55.828 55.803 -0.395 0.000 0.912 146 Q CB 0.539 29.058 28.738 -0.364 0.000 1.223 146 Q HN 0.850 9.120 8.270 -0.000 0.000 0.459 147 A N 5.215 127.718 122.820 -0.528 0.000 2.362 147 A HA 0.382 4.702 4.320 0.001 0.000 0.276 147 A C -0.896 176.317 177.584 -0.619 0.000 1.153 147 A CA -0.330 51.402 52.037 -0.509 0.000 0.813 147 A CB 0.236 19.064 19.000 -0.286 0.000 1.081 147 A HN 0.791 8.941 8.150 -0.000 0.000 0.507 148 H N 3.265 122.193 119.070 -0.238 0.000 2.736 148 H HA 0.291 4.848 4.556 0.001 0.000 0.271 148 H C -2.774 172.582 175.328 0.047 0.000 1.184 148 H CA -2.028 53.971 56.048 -0.082 0.000 1.378 148 H CB 0.751 30.467 29.762 -0.075 0.000 1.428 148 H HN 0.414 8.694 8.280 -0.000 0.000 0.500 149 P HA 0.035 4.455 4.420 -0.000 0.000 0.271 149 P C -0.331 177.148 177.300 0.298 0.000 1.220 149 P CA -0.059 63.181 63.100 0.232 0.000 0.768 149 P CB 0.144 32.145 31.700 0.502 0.000 0.848 150 F N 0.803 120.869 119.950 0.194 0.000 2.508 150 F HA 0.634 5.162 4.527 0.001 0.000 0.325 150 F C 0.035 176.065 175.800 0.383 0.000 1.090 150 F CA -1.793 56.290 58.000 0.139 0.000 0.945 150 F CB 0.736 39.712 39.000 -0.041 0.000 1.156 150 F HN 0.072 8.372 8.300 -0.000 0.000 0.463 151 M N 3.000 123.010 119.600 0.683 0.000 2.245 151 M HA -0.018 4.462 4.480 0.001 0.000 0.335 151 M C 0.051 176.572 176.300 0.368 0.000 1.155 151 M CA 0.280 55.810 55.300 0.383 0.000 1.055 151 M CB -0.138 32.611 32.600 0.249 0.000 1.670 151 M HN 0.745 9.035 8.290 -0.000 0.000 0.447 152 H N 4.666 123.866 119.070 0.217 0.000 3.216 152 H HA -0.078 4.479 4.556 0.001 0.000 0.283 152 H C 0.279 175.691 175.328 0.139 0.000 0.921 152 H CA 1.290 57.444 56.048 0.177 0.000 1.419 152 H CB -0.045 29.858 29.762 0.234 0.000 1.460 152 H HN 0.655 8.935 8.280 -0.000 0.000 0.553 153 N N 1.971 120.578 118.700 -0.155 0.000 2.708 153 N HA -0.290 4.450 4.740 0.001 0.000 0.251 153 N C -0.781 174.793 175.510 0.106 0.000 1.123 153 N CA 1.096 54.100 53.050 -0.078 0.000 0.739 153 N CB -1.243 37.030 38.487 -0.358 0.000 1.113 153 N HN 0.667 9.047 8.380 -0.000 0.000 0.561 154 N N 0.526 119.387 118.700 0.268 0.000 2.558 154 N HA 0.217 4.957 4.740 0.001 0.000 0.233 154 N C 0.789 176.391 175.510 0.153 0.000 1.038 154 N CA -0.417 52.760 53.050 0.213 0.000 0.934 154 N CB 0.041 38.683 38.487 0.259 0.000 1.175 154 N HN 0.127 8.507 8.380 -0.000 0.000 0.512 155 C N 1.571 120.897 119.300 0.042 0.000 2.448 155 C HA 0.005 4.465 4.460 0.001 0.000 0.280 155 C C 1.925 176.883 174.990 -0.052 0.000 1.398 155 C CA 0.062 59.042 59.018 -0.062 0.000 1.774 155 C CB -0.323 27.391 27.740 -0.043 0.000 1.888 155 C HN 0.655 8.885 8.230 -0.000 0.000 0.519 156 D N -0.294 120.117 120.400 0.018 0.000 2.097 156 D HA -0.146 4.495 4.640 0.001 0.000 0.195 156 D C 1.850 178.188 176.300 0.063 0.000 0.989 156 D CA 1.267 55.285 54.000 0.029 0.000 0.827 156 D CB -0.613 40.212 40.800 0.043 0.000 0.966 156 D HN 0.672 9.042 8.370 -0.000 0.000 0.456 157 H N -0.120 118.945 119.070 -0.009 0.000 2.353 157 H HA -0.115 4.441 4.556 0.001 0.000 0.300 157 H C 2.235 177.527 175.328 -0.060 0.000 1.090 157 H CA 0.586 56.646 56.048 0.021 0.000 1.327 157 H CB 0.076 29.915 29.762 0.128 0.000 1.383 157 H HN 0.003 8.283 8.280 -0.000 0.000 0.508 158 L N 1.519 122.616 121.223 -0.211 0.000 2.012 158 L HA -0.175 4.165 4.340 0.001 0.000 0.210 158 L C 2.515 179.068 176.870 -0.529 0.000 1.073 158 L CA 1.531 56.045 54.840 -0.543 0.000 0.748 158 L CB -0.642 40.898 42.059 -0.865 0.000 0.891 158 L HN 0.145 8.375 8.230 -0.000 0.000 0.431 159 R N -1.307 118.961 120.500 -0.387 0.000 2.103 159 R HA -0.241 4.099 4.340 0.001 0.000 0.242 159 R C 2.232 178.306 176.300 -0.377 0.000 1.142 159 R CA 2.024 57.877 56.100 -0.413 0.000 0.960 159 R CB -0.568 29.658 30.300 -0.122 0.000 0.858 159 R HN 0.383 8.653 8.270 -0.000 0.000 0.439 160 M N 0.833 120.315 119.600 -0.196 0.000 2.086 160 M HA -0.134 4.346 4.480 0.001 0.000 0.261 160 M C 1.886 178.070 176.300 -0.193 0.000 1.067 160 M CA 1.683 56.909 55.300 -0.123 0.000 1.116 160 M CB -0.226 32.381 32.600 0.013 0.000 1.348 160 M HN 0.077 8.367 8.290 -0.000 0.000 0.407 161 L N -0.638 120.447 121.223 -0.230 0.000 2.017 161 L HA -0.222 4.119 4.340 0.001 0.000 0.208 161 L C 2.344 179.040 176.870 -0.290 0.000 1.073 161 L CA 1.391 56.131 54.840 -0.168 0.000 0.745 161 L CB -0.748 41.260 42.059 -0.085 0.000 0.894 161 L HN 0.350 8.580 8.230 -0.000 0.000 0.432 162 I N -1.279 118.867 120.570 -0.707 0.000 2.315 162 I HA -0.232 3.938 4.170 0.001 0.000 0.248 162 I C 2.687 178.540 176.117 -0.441 0.000 1.117 162 I CA 0.703 61.513 61.300 -0.817 0.000 1.404 162 I CB -0.381 36.848 38.000 -1.285 0.000 1.071 162 I HN 0.319 8.529 8.210 -0.000 0.000 0.419 163 Q N 1.154 120.699 119.800 -0.426 0.000 2.096 163 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 163 Q C 2.286 178.214 176.000 -0.120 0.000 0.982 163 Q CA 1.727 57.457 55.803 -0.122 0.000 0.850 163 Q CB -0.310 28.396 28.738 -0.054 0.000 0.901 163 Q HN 0.436 8.706 8.270 -0.000 0.000 0.422 164 R N -1.225 119.141 120.500 -0.222 0.000 2.090 164 R HA -0.098 4.243 4.340 0.001 0.000 0.228 164 R C 1.605 177.668 176.300 -0.396 0.000 1.110 164 R CA 1.170 57.064 56.100 -0.343 0.000 0.973 164 R CB 0.093 30.084 30.300 -0.516 0.000 0.869 164 R HN 0.349 8.619 8.270 -0.000 0.000 0.440 165 H N -1.471 117.563 119.070 -0.061 0.000 2.750 165 H HA 0.289 4.845 4.556 0.001 0.000 0.263 165 H C 0.840 176.206 175.328 0.062 0.000 0.964 165 H CA 0.831 56.865 56.048 -0.024 0.000 1.205 165 H CB 1.244 30.899 29.762 -0.177 0.000 1.454 165 H HN 0.430 8.710 8.280 -0.000 0.000 0.503 166 G N 1.493 110.393 108.800 0.166 0.000 2.655 166 G HA2 -0.175 3.785 3.960 0.001 0.000 0.680 166 G HA3 -0.175 3.785 3.960 0.001 0.000 0.680 166 G C -2.781 172.246 174.900 0.212 0.000 1.302 166 G CA -1.115 44.076 45.100 0.152 0.000 0.872 166 G HN -0.020 8.270 8.290 -0.000 0.000 0.540 167 P HA 0.463 4.883 4.420 -0.000 0.000 0.266 167 P C 0.805 178.229 177.300 0.207 0.000 1.193 167 P CA 1.334 64.539 63.100 0.175 0.000 0.770 167 P CB 0.973 32.744 31.700 0.119 0.000 0.836 168 G N 0.810 109.747 108.800 0.229 0.000 2.435 168 G HA2 0.483 4.443 3.960 0.001 0.000 0.296 168 G HA3 0.483 4.443 3.960 0.001 0.000 0.296 168 G C -1.730 173.254 174.900 0.141 0.000 1.240 168 G CA -0.674 44.522 45.100 0.160 0.000 0.872 168 G HN 0.386 8.676 8.290 -0.000 0.000 0.480 169 I N 1.111 121.730 120.570 0.082 0.000 2.378 169 I HA 0.430 4.600 4.170 0.001 0.000 0.291 169 I C -0.401 175.806 176.117 0.150 0.000 0.992 169 I CA -0.570 60.777 61.300 0.078 0.000 1.154 169 I CB 1.805 39.803 38.000 -0.003 0.000 1.315 169 I HN 0.197 8.407 8.210 -0.000 0.000 0.448 170 I N 6.742 127.418 120.570 0.176 0.000 2.331 170 I HA 0.334 4.505 4.170 0.001 0.000 0.292 170 I C -0.513 175.711 176.117 0.179 0.000 0.998 170 I CA -0.649 60.776 61.300 0.209 0.000 1.267 170 I CB 1.416 39.499 38.000 0.138 0.000 1.386 170 I HN 0.207 8.417 8.210 -0.000 0.000 0.476 171 V N 7.411 127.441 119.914 0.194 0.000 2.483 171 V HA 0.527 4.648 4.120 0.001 0.000 0.297 171 V C -0.151 176.047 176.094 0.173 0.000 1.027 171 V CA -0.575 61.793 62.300 0.113 0.000 0.855 171 V CB 1.883 33.687 31.823 -0.032 0.000 0.995 171 V HN 0.561 8.751 8.190 -0.000 0.000 0.424 172 V N 0.734 120.748 119.914 0.167 0.000 3.130 172 V HA 0.757 4.878 4.120 0.001 0.000 0.310 172 V C -1.058 175.046 176.094 0.018 0.000 1.158 172 V CA -0.962 61.462 62.300 0.207 0.000 1.029 172 V CB 2.452 34.463 31.823 0.313 0.000 1.057 172 V HN 0.600 8.790 8.190 -0.000 0.000 0.436 173 D N 1.629 121.875 120.400 -0.255 0.000 2.255 173 D HA 0.438 5.078 4.640 0.001 0.000 0.249 173 D C 1.327 177.374 176.300 -0.422 0.000 1.078 173 D CA 0.519 54.216 54.000 -0.504 0.000 0.896 173 D CB 2.021 42.217 40.800 -1.007 0.000 1.194 173 D HN 0.873 9.243 8.370 -0.000 0.000 0.429 174 S N 1.864 117.443 115.700 -0.202 0.000 2.355 174 S HA -0.048 4.422 4.470 0.001 0.000 0.222 174 S C 0.926 175.457 174.600 -0.116 0.000 1.031 174 S CA 0.568 58.702 58.200 -0.109 0.000 0.993 174 S CB -0.004 63.141 63.200 -0.091 0.000 0.859 174 S HN 0.481 8.791 8.310 -0.000 0.000 0.453 175 I N 1.102 121.584 120.570 -0.147 0.000 2.436 175 I HA 0.382 4.552 4.170 0.001 0.000 0.289 175 I C -1.230 174.828 176.117 -0.099 0.000 1.010 175 I CA -0.955 60.306 61.300 -0.064 0.000 1.098 175 I CB 1.716 39.676 38.000 -0.066 0.000 1.266 175 I HN 0.136 8.346 8.210 -0.000 0.000 0.434 176 Y N 3.740 124.070 120.300 0.050 0.000 2.359 176 Y HA 0.003 4.554 4.550 0.001 0.000 0.330 176 Y C 1.811 177.646 175.900 -0.107 0.000 1.143 176 Y CA 0.183 58.315 58.100 0.053 0.000 1.318 176 Y CB 1.374 39.895 38.460 0.102 0.000 1.234 176 Y HN 0.688 8.968 8.280 -0.000 0.000 0.522 177 S N -0.594 115.101 115.700 -0.009 0.000 2.402 177 S HA -0.187 4.284 4.470 0.001 0.000 0.229 177 S C 1.720 176.126 174.600 -0.323 0.000 1.021 177 S CA 1.527 59.547 58.200 -0.300 0.000 0.974 177 S CB -0.655 62.577 63.200 0.054 0.000 0.800 177 S HN 0.856 9.166 8.310 -0.000 0.000 0.484 178 T N -0.583 113.832 114.554 -0.232 0.000 3.033 178 T HA 0.327 4.677 4.350 0.001 0.000 0.248 178 T C 1.699 176.264 174.700 -0.225 0.000 1.040 178 T CA 0.189 62.067 62.100 -0.370 0.000 1.133 178 T CB -0.453 68.232 68.868 -0.304 0.000 0.895 178 T HN 0.367 8.607 8.240 -0.000 0.000 0.465 179 L N 0.316 121.434 121.223 -0.176 0.000 2.463 179 L HA 0.435 4.775 4.340 0.001 0.000 0.219 179 L C 2.169 178.990 176.870 -0.081 0.000 1.088 179 L CA 0.479 55.215 54.840 -0.174 0.000 0.849 179 L CB -0.309 41.544 42.059 -0.344 0.000 1.012 179 L HN 0.580 8.810 8.230 -0.000 0.000 0.468 180 G N 1.145 109.923 108.800 -0.038 0.000 2.148 180 G HA2 -0.303 3.658 3.960 0.001 0.000 0.254 180 G HA3 -0.303 3.658 3.960 0.001 0.000 0.254 180 G C 0.474 175.402 174.900 0.047 0.000 0.981 180 G CA 0.524 45.617 45.100 -0.013 0.000 0.670 180 G HN 0.409 8.699 8.290 -0.000 0.000 0.528 181 T N -1.045 113.575 114.554 0.111 0.000 2.813 181 T HA 0.639 4.989 4.350 0.001 0.000 0.297 181 T C 0.550 175.386 174.700 0.226 0.000 1.036 181 T CA -0.330 61.859 62.100 0.148 0.000 1.044 181 T CB 1.921 70.902 68.868 0.189 0.000 0.993 181 T HN 0.479 8.719 8.240 -0.000 0.000 0.535 182 I N 1.311 121.968 120.570 0.145 0.000 2.404 182 I HA 0.508 4.678 4.170 0.001 0.000 0.293 182 I C 0.794 177.005 176.117 0.156 0.000 0.992 182 I CA -1.327 60.052 61.300 0.133 0.000 1.149 182 I CB 1.538 39.568 38.000 0.050 0.000 1.315 182 I HN 0.913 9.123 8.210 -0.000 0.000 0.446 183 A N 7.800 130.755 122.820 0.225 0.000 2.445 183 A HA 0.374 4.695 4.320 0.001 0.000 0.242 183 A C -2.220 175.430 177.584 0.111 0.000 1.075 183 A CA -0.937 51.237 52.037 0.228 0.000 0.777 183 A CB -0.476 18.689 19.000 0.274 0.000 1.013 183 A HN 0.493 8.643 8.150 -0.000 0.000 0.493 184 P HA 0.207 4.627 4.420 -0.000 0.000 0.237 184 P C 0.590 177.925 177.300 0.058 0.000 1.788 184 P CA -0.061 63.072 63.100 0.056 0.000 1.061 184 P CB -0.011 31.714 31.700 0.042 0.000 1.967 185 L N 1.001 122.258 121.223 0.056 0.000 2.046 185 L HA -0.212 4.129 4.340 0.001 0.000 0.208 185 L C 2.481 179.373 176.870 0.036 0.000 1.077 185 L CA 1.873 56.744 54.840 0.053 0.000 0.747 185 L CB -1.022 41.062 42.059 0.042 0.000 0.896 185 L HN 0.180 8.410 8.230 -0.000 0.000 0.432 186 A N -0.233 122.600 122.820 0.023 0.000 1.908 186 A HA -0.274 4.046 4.320 0.001 0.000 0.218 186 A C 2.285 179.877 177.584 0.014 0.000 1.181 186 A CA 2.012 54.056 52.037 0.012 0.000 0.627 186 A CB -0.532 18.471 19.000 0.005 0.000 0.818 186 A HN 0.489 8.639 8.150 -0.000 0.000 0.445 187 E N -0.349 119.861 120.200 0.017 0.000 2.152 187 E HA -0.099 4.252 4.350 0.001 0.000 0.192 187 E C 1.893 178.502 176.600 0.016 0.000 0.983 187 E CA 0.695 57.103 56.400 0.014 0.000 0.818 187 E CB -0.165 29.542 29.700 0.011 0.000 0.758 187 E HN 0.643 9.003 8.360 -0.000 0.000 0.467 188 L N 0.085 121.323 121.223 0.025 0.000 2.083 188 L HA -0.165 4.175 4.340 0.001 0.000 0.209 188 L C 2.466 179.363 176.870 0.045 0.000 1.083 188 L CA 0.603 55.459 54.840 0.027 0.000 0.752 188 L CB -0.275 41.820 42.059 0.060 0.000 0.899 188 L HN 0.091 8.321 8.230 -0.000 0.000 0.433 189 V N 0.190 120.131 119.914 0.045 0.000 2.343 189 V HA -0.271 3.849 4.120 0.001 0.000 0.247 189 V C 2.225 178.343 176.094 0.039 0.000 1.051 189 V CA 1.802 64.129 62.300 0.045 0.000 1.036 189 V CB -0.596 31.238 31.823 0.019 0.000 0.654 189 V HN 0.497 8.687 8.190 -0.000 0.000 0.451 190 N N 0.040 118.755 118.700 0.025 0.000 2.188 190 N HA -0.045 4.696 4.740 0.001 0.000 0.184 190 N C 1.767 177.302 175.510 0.042 0.000 1.018 190 N CA 1.397 54.458 53.050 0.019 0.000 0.858 190 N CB -0.286 38.205 38.487 0.006 0.000 0.989 190 N HN 0.418 8.798 8.380 -0.000 0.000 0.426 191 I N 0.958 121.567 120.570 0.066 0.000 2.226 191 I HA -0.261 3.909 4.170 0.001 0.000 0.245 191 I C 2.348 178.582 176.117 0.195 0.000 1.100 191 I CA 1.142 62.530 61.300 0.147 0.000 1.374 191 I CB -0.335 37.700 38.000 0.059 0.000 1.057 191 I HN 0.193 8.403 8.210 -0.000 0.000 0.413 192 S N 0.844 116.615 115.700 0.118 0.000 2.368 192 S HA -0.193 4.278 4.470 0.001 0.000 0.224 192 S C 1.970 176.650 174.600 0.133 0.000 1.029 192 S CA 0.886 59.166 58.200 0.135 0.000 0.988 192 S CB -0.346 62.943 63.200 0.148 0.000 0.838 192 S HN 0.366 8.676 8.310 -0.000 0.000 0.462 193 K N 1.174 121.629 120.400 0.092 0.000 2.026 193 K HA -0.107 4.213 4.320 0.001 0.000 0.208 193 K C 2.454 179.055 176.600 0.000 0.000 1.048 193 K CA 1.618 57.934 56.287 0.048 0.000 0.929 193 K CB -0.263 32.245 32.500 0.014 0.000 0.713 193 K HN 0.629 8.879 8.250 -0.000 0.000 0.439 194 E N 0.008 120.183 120.200 -0.041 0.000 2.118 194 E HA -0.177 4.174 4.350 0.001 0.000 0.195 194 E C 1.061 177.463 176.600 -0.331 0.000 0.992 194 E CA 1.214 57.482 56.400 -0.220 0.000 0.804 194 E CB 0.057 29.558 29.700 -0.332 0.000 0.741 194 E HN 0.271 8.631 8.360 -0.000 0.000 0.458 195 F N -0.640 119.290 119.950 -0.035 0.000 2.695 195 F HA 0.314 4.842 4.527 0.001 0.000 0.303 195 F C 1.153 176.945 175.800 -0.013 0.000 1.091 195 F CA 0.335 58.311 58.000 -0.040 0.000 1.300 195 F CB 1.269 40.219 39.000 -0.084 0.000 1.071 195 F HN 0.131 8.431 8.300 -0.000 0.000 0.578 196 G N 1.065 109.938 108.800 0.123 0.000 2.295 196 G HA2 -0.284 3.676 3.960 0.001 0.000 0.287 196 G HA3 -0.284 3.676 3.960 0.001 0.000 0.287 196 G C -0.133 174.826 174.900 0.098 0.000 1.055 196 G CA -0.002 45.154 45.100 0.094 0.000 0.922 196 G HN 0.351 8.641 8.290 -0.000 0.000 0.503 197 C N -0.261 119.102 119.300 0.104 0.000 2.349 197 C HA 0.936 5.396 4.460 0.001 0.000 0.361 197 C C 1.068 176.020 174.990 -0.063 0.000 1.189 197 C CA 0.057 59.114 59.018 0.064 0.000 2.155 197 C CB 1.413 29.210 27.740 0.096 0.000 2.336 197 C HN 1.223 9.453 8.230 -0.000 0.000 0.540 198 A N 1.137 123.865 122.820 -0.153 0.000 2.303 198 A HA 0.722 5.042 4.320 0.001 0.000 0.317 198 A C -0.957 176.598 177.584 -0.048 0.000 1.149 198 A CA -0.262 51.490 52.037 -0.474 0.000 0.822 198 A CB 0.495 19.334 19.000 -0.268 0.000 1.131 198 A HN 0.778 8.928 8.150 -0.000 0.000 0.493 199 L N 2.145 123.462 121.223 0.157 0.000 2.322 199 L HA 0.674 5.015 4.340 0.001 0.000 0.281 199 L C -0.883 176.196 176.870 0.348 0.000 1.014 199 L CA -0.438 54.566 54.840 0.273 0.000 0.815 199 L CB 1.333 43.563 42.059 0.284 0.000 1.247 199 L HN 0.673 8.903 8.230 -0.000 0.000 0.421 200 L N 5.939 127.321 121.223 0.266 0.000 2.349 200 L HA 0.687 5.027 4.340 0.001 0.000 0.278 200 L C -1.470 175.494 176.870 0.157 0.000 0.996 200 L CA -0.563 54.426 54.840 0.250 0.000 0.825 200 L CB 1.750 43.898 42.059 0.147 0.000 1.243 200 L HN 0.432 8.662 8.230 -0.000 0.000 0.412 201 V N 3.795 123.791 119.914 0.136 0.000 2.409 201 V HA 0.285 4.406 4.120 0.001 0.000 0.291 201 V C -0.487 175.619 176.094 0.019 0.000 1.020 201 V CA -0.643 61.700 62.300 0.072 0.000 0.848 201 V CB 1.626 33.493 31.823 0.073 0.000 0.990 201 V HN 0.635 8.825 8.190 -0.000 0.000 0.430 202 D N 4.017 124.412 120.400 -0.007 0.000 2.365 202 D HA 0.158 4.799 4.640 0.001 0.000 0.237 202 D C 0.571 176.840 176.300 -0.051 0.000 1.190 202 D CA -0.083 53.901 54.000 -0.025 0.000 0.867 202 D CB 1.135 41.920 40.800 -0.025 0.000 1.050 202 D HN 0.610 8.980 8.370 -0.000 0.000 0.491 203 E N 2.039 122.206 120.200 -0.055 0.000 2.370 203 E HA 0.043 4.394 4.350 0.001 0.000 0.194 203 E C 1.204 177.783 176.600 -0.035 0.000 1.057 203 E CA -0.117 56.244 56.400 -0.065 0.000 1.011 203 E CB 0.428 30.059 29.700 -0.116 0.000 1.132 203 E HN 0.378 8.738 8.360 -0.000 0.000 0.450 204 S N 0.523 116.182 115.700 -0.068 0.000 2.387 204 S HA -0.164 4.307 4.470 0.001 0.000 0.230 204 S C 1.334 175.811 174.600 -0.206 0.000 1.035 204 S CA 1.083 59.182 58.200 -0.169 0.000 1.014 204 S CB -0.135 62.857 63.200 -0.345 0.000 0.836 204 S HN 0.507 8.817 8.310 -0.000 0.000 0.466 205 H N -0.377 118.755 119.070 0.105 0.000 2.549 205 H HA 0.315 4.871 4.556 0.001 0.000 0.279 205 H C 1.585 176.936 175.328 0.039 0.000 1.018 205 H CA 0.818 56.961 56.048 0.158 0.000 1.175 205 H CB 0.312 30.134 29.762 0.101 0.000 1.485 205 H HN 0.508 8.788 8.280 -0.000 0.000 0.543 206 S N -0.298 115.448 115.700 0.076 0.000 2.619 206 S HA 0.041 4.511 4.470 0.001 0.000 0.238 206 S C 0.693 175.381 174.600 0.146 0.000 1.068 206 S CA -0.417 57.783 58.200 -0.001 0.000 0.926 206 S CB 0.014 63.066 63.200 -0.247 0.000 0.864 206 S HN 0.041 8.351 8.310 -0.000 0.000 0.493 207 L N 3.627 124.931 121.223 0.134 0.000 2.584 207 L HA 0.505 4.845 4.340 0.001 0.000 0.272 207 L C 1.283 178.354 176.870 0.335 0.000 1.195 207 L CA 1.829 56.797 54.840 0.213 0.000 0.920 207 L CB -0.278 41.911 42.059 0.217 0.000 1.173 207 L HN 0.638 8.868 8.230 -0.000 0.000 0.489 208 G N 2.202 111.203 108.800 0.335 0.000 2.336 208 G HA2 -0.378 3.582 3.960 0.001 0.000 0.233 208 G HA3 -0.378 3.582 3.960 0.001 0.000 0.233 208 G C 0.840 175.846 174.900 0.176 0.000 1.053 208 G CA 0.764 46.010 45.100 0.244 0.000 0.625 208 G HN 0.935 9.225 8.290 -0.000 0.000 0.511 209 T N -2.274 112.409 114.554 0.215 0.000 3.037 209 T HA 0.455 4.806 4.350 0.001 0.000 0.251 209 T C 0.806 175.481 174.700 -0.042 0.000 1.079 209 T CA 1.334 63.503 62.100 0.115 0.000 1.067 209 T CB 0.278 69.231 68.868 0.140 0.000 0.948 209 T HN 0.632 8.872 8.240 -0.000 0.000 0.496 210 H N -0.151 118.941 119.070 0.038 0.000 2.894 210 H HA 0.655 5.211 4.556 0.001 0.000 0.368 210 H C 0.658 175.985 175.328 -0.000 0.000 1.181 210 H CA 0.051 56.106 56.048 0.011 0.000 1.146 210 H CB 1.460 31.222 29.762 -0.001 0.000 1.839 210 H HN 0.500 8.780 8.280 -0.000 0.000 0.557 211 G N 0.788 109.649 108.800 0.102 0.000 2.795 211 G HA2 -0.160 3.800 3.960 0.001 0.000 0.664 211 G HA3 -0.160 3.800 3.960 0.001 0.000 0.664 211 G C -2.671 172.232 174.900 0.004 0.000 1.381 211 G CA -0.937 44.179 45.100 0.027 0.000 0.853 211 G HN 0.618 8.908 8.290 -0.000 0.000 0.545 212 P HA 0.213 4.633 4.420 -0.000 0.000 0.271 212 P C 0.324 177.634 177.300 0.017 0.000 1.233 212 P CA 0.303 63.398 63.100 -0.008 0.000 0.764 212 P CB 0.330 32.014 31.700 -0.026 0.000 0.825 213 N N 3.122 121.864 118.700 0.071 0.000 2.753 213 N HA -0.212 4.529 4.740 0.001 0.000 0.251 213 N C 1.009 176.678 175.510 0.266 0.000 1.097 213 N CA 1.947 55.093 53.050 0.160 0.000 0.786 213 N CB -1.927 36.694 38.487 0.223 0.000 1.137 213 N HN 0.844 9.224 8.380 -0.000 0.000 0.566 214 G N -1.717 107.180 108.800 0.161 0.000 2.141 214 G HA2 -0.189 3.771 3.960 0.001 0.000 0.242 214 G HA3 -0.189 3.771 3.960 0.001 0.000 0.242 214 G C 0.994 175.986 174.900 0.154 0.000 0.982 214 G CA 0.890 46.121 45.100 0.218 0.000 0.662 214 G HN 1.132 9.422 8.290 -0.000 0.000 0.527 215 A N -0.487 122.186 122.820 -0.244 0.000 2.178 215 A HA 0.542 4.862 4.320 0.001 0.000 0.218 215 A C 2.223 179.603 177.584 -0.341 0.000 1.157 215 A CA 2.168 53.752 52.037 -0.755 0.000 0.689 215 A CB -0.301 18.263 19.000 -0.726 0.000 0.787 215 A HN 2.703 10.853 8.150 -0.000 0.000 0.465 216 G N -2.622 106.111 108.800 -0.111 0.000 2.462 216 G HA2 -0.060 3.900 3.960 0.001 0.000 0.685 216 G HA3 -0.060 3.900 3.960 0.001 0.000 0.685 216 G C 0.329 175.212 174.900 -0.028 0.000 1.295 216 G CA -0.271 44.801 45.100 -0.046 0.000 0.941 216 G HN 0.327 8.617 8.290 -0.000 0.000 0.554 217 L N 0.057 121.255 121.223 -0.042 0.000 2.056 217 L HA 0.074 4.414 4.340 0.001 0.000 0.207 217 L C 3.046 179.898 176.870 -0.030 0.000 1.078 217 L CA 1.275 56.091 54.840 -0.039 0.000 0.749 217 L CB -0.401 41.599 42.059 -0.098 0.000 0.901 217 L HN 0.571 8.801 8.230 -0.000 0.000 0.433 218 L N -0.730 120.473 121.223 -0.034 0.000 2.046 218 L HA -0.211 4.129 4.340 0.001 0.000 0.208 218 L C 2.833 179.675 176.870 -0.047 0.000 1.077 218 L CA 1.183 56.012 54.840 -0.020 0.000 0.747 218 L CB -0.743 41.335 42.059 0.031 0.000 0.896 218 L HN 0.249 8.479 8.230 -0.000 0.000 0.432 219 A N -0.134 122.644 122.820 -0.069 0.000 1.877 219 A HA -0.270 4.050 4.320 0.001 0.000 0.216 219 A C 2.270 179.817 177.584 -0.062 0.000 1.186 219 A CA 1.893 53.875 52.037 -0.092 0.000 0.620 219 A CB -0.559 18.355 19.000 -0.143 0.000 0.822 219 A HN 0.474 8.624 8.150 -0.000 0.000 0.443 220 E N -0.316 119.862 120.200 -0.037 0.000 2.110 220 E HA -0.140 4.210 4.350 0.001 0.000 0.193 220 E C 1.605 178.197 176.600 -0.014 0.000 0.988 220 E CA 1.058 57.450 56.400 -0.013 0.000 0.804 220 E CB -0.154 29.560 29.700 0.024 0.000 0.745 220 E HN 0.633 8.993 8.360 -0.000 0.000 0.458 221 L N -0.717 120.495 121.223 -0.018 0.000 2.558 221 L HA 0.199 4.539 4.340 0.001 0.000 0.225 221 L C 1.273 178.125 176.870 -0.030 0.000 1.128 221 L CA 0.338 55.168 54.840 -0.017 0.000 0.868 221 L CB 0.272 42.325 42.059 -0.011 0.000 1.006 221 L HN 0.365 8.595 8.230 -0.000 0.000 0.454 222 G N 0.627 109.400 108.800 -0.045 0.000 2.198 222 G HA2 -0.275 3.686 3.960 0.001 0.000 0.257 222 G HA3 -0.275 3.686 3.960 0.001 0.000 0.257 222 G C 0.518 175.374 174.900 -0.072 0.000 1.042 222 G CA 0.228 45.292 45.100 -0.059 0.000 0.791 222 G HN 0.352 8.642 8.290 -0.000 0.000 0.502 223 L N -0.302 120.876 121.223 -0.075 0.000 2.693 223 L HA 0.118 4.459 4.340 0.001 0.000 0.235 223 L C 2.649 179.436 176.870 -0.137 0.000 1.127 223 L CA 0.740 55.531 54.840 -0.082 0.000 0.914 223 L CB -0.156 41.878 42.059 -0.042 0.000 1.193 223 L HN 0.245 8.475 8.230 -0.000 0.000 0.502 224 T N -0.125 114.320 114.554 -0.182 0.000 2.649 224 T HA -0.223 4.128 4.350 0.001 0.000 0.268 224 T C 1.927 176.319 174.700 -0.512 0.000 1.036 224 T CA 1.355 63.239 62.100 -0.360 0.000 1.157 224 T CB -0.160 68.491 68.868 -0.362 0.000 0.861 224 T HN 0.159 8.399 8.240 -0.000 0.000 0.445 225 R N 1.550 121.841 120.500 -0.348 0.000 2.307 225 R HA 0.017 4.358 4.340 0.001 0.000 0.199 225 R C 1.641 177.769 176.300 -0.285 0.000 1.000 225 R CA 0.547 56.452 56.100 -0.324 0.000 1.023 225 R CB -0.170 29.998 30.300 -0.221 0.000 0.908 225 R HN 0.702 8.972 8.270 -0.000 0.000 0.473 226 E N -0.398 119.653 120.200 -0.250 0.000 2.558 226 E HA 0.119 4.469 4.350 0.001 0.000 0.205 226 E C -0.266 176.186 176.600 -0.246 0.000 1.006 226 E CA -0.137 56.124 56.400 -0.231 0.000 0.961 226 E CB 0.509 30.126 29.700 -0.139 0.000 1.044 226 E HN -0.171 8.189 8.360 -0.000 0.000 0.465 227 V N 1.747 121.520 119.914 -0.236 0.000 2.459 227 V HA 0.151 4.271 4.120 0.001 0.000 0.295 227 V C 0.564 176.586 176.094 -0.120 0.000 1.029 227 V CA -0.612 61.647 62.300 -0.069 0.000 0.874 227 V CB 1.392 33.309 31.823 0.155 0.000 0.985 227 V HN 0.167 8.357 8.190 -0.000 0.000 0.438 228 H N 3.399 122.426 119.070 -0.071 0.000 2.403 228 H HA 0.239 4.795 4.556 0.001 0.000 0.298 228 H C -0.307 174.677 175.328 -0.574 0.000 1.059 228 H CA 1.307 57.093 56.048 -0.436 0.000 1.363 228 H CB 0.001 29.349 29.762 -0.689 0.000 1.410 228 H HN 0.519 8.799 8.280 -0.000 0.000 0.528 229 F N -0.284 119.892 119.950 0.377 0.000 2.591 229 F HA 0.386 4.913 4.527 0.001 0.000 0.309 229 F C -0.436 175.384 175.800 0.033 0.000 1.098 229 F CA -1.046 57.067 58.000 0.189 0.000 0.937 229 F CB 2.186 41.255 39.000 0.114 0.000 1.250 229 F HN -0.114 8.186 8.300 -0.000 0.000 0.447 230 M N 3.207 122.767 119.600 -0.067 0.000 2.393 230 M HA 0.695 5.176 4.480 0.001 0.000 0.299 230 M C -1.326 175.017 176.300 0.072 0.000 1.103 230 M CA -0.142 55.045 55.300 -0.188 0.000 0.910 230 M CB 2.389 34.520 32.600 -0.780 0.000 1.659 230 M HN 0.790 9.080 8.290 -0.000 0.000 0.445 231 T N 1.283 115.897 114.554 0.100 0.000 2.901 231 T HA 0.992 5.343 4.350 0.001 0.000 0.293 231 T C -1.032 173.784 174.700 0.194 0.000 1.084 231 T CA -0.642 61.576 62.100 0.196 0.000 1.008 231 T CB 2.005 70.907 68.868 0.058 0.000 1.170 231 T HN 1.090 9.330 8.240 -0.000 0.000 0.509 232 A N 0.863 123.831 122.820 0.246 0.000 2.555 232 A HA 0.713 5.033 4.320 0.001 0.000 0.297 232 A C -0.148 177.486 177.584 0.083 0.000 1.060 232 A CA -0.643 51.490 52.037 0.159 0.000 0.710 232 A CB 1.327 20.471 19.000 0.241 0.000 1.282 232 A HN 1.255 9.405 8.150 -0.000 0.000 0.399 233 S N 0.622 116.329 115.700 0.011 0.000 2.562 233 S HA 0.331 4.802 4.470 0.001 0.000 0.281 233 S C 0.367 174.995 174.600 0.047 0.000 1.333 233 S CA -0.199 58.006 58.200 0.008 0.000 1.052 233 S CB 0.106 63.283 63.200 -0.037 0.000 0.884 233 S HN 0.760 9.070 8.310 -0.000 0.000 0.506 234 L N 4.428 125.682 121.223 0.052 0.000 2.628 234 L HA 0.403 4.743 4.340 0.001 0.000 0.229 234 L C 1.799 178.778 176.870 0.182 0.000 1.137 234 L CA 0.551 55.450 54.840 0.097 0.000 0.909 234 L CB -0.683 41.388 42.059 0.021 0.000 1.137 234 L HN 0.853 9.083 8.230 -0.000 0.000 0.470 235 A N -1.726 121.155 122.820 0.102 0.000 2.379 235 A HA 0.192 4.512 4.320 0.001 0.000 0.236 235 A C 1.601 179.206 177.584 0.034 0.000 1.272 235 A CA 0.177 52.255 52.037 0.069 0.000 0.886 235 A CB -0.108 18.907 19.000 0.026 0.000 0.962 235 A HN 0.056 8.206 8.150 -0.000 0.000 0.504 236 K N -0.957 119.473 120.400 0.050 0.000 3.946 236 K HA 0.209 4.529 4.320 0.001 0.000 0.173 236 K C 1.580 178.185 176.600 0.008 0.000 1.146 236 K CA 1.034 57.292 56.287 -0.048 0.000 1.694 236 K CB -1.350 31.139 32.500 -0.019 0.000 2.333 236 K HN 0.087 8.337 8.250 -0.000 0.000 0.498 237 T N 1.758 116.402 114.554 0.151 0.000 2.803 237 T HA -0.063 4.287 4.350 0.001 0.000 0.269 237 T C 1.685 176.414 174.700 0.049 0.000 1.052 237 T CA 1.308 63.494 62.100 0.143 0.000 1.136 237 T CB -0.281 68.716 68.868 0.215 0.000 0.864 237 T HN 0.105 8.345 8.240 -0.000 0.000 0.467 238 F N 1.063 121.064 119.950 0.084 0.000 2.748 238 F HA 0.409 4.937 4.527 0.001 0.000 0.299 238 F C 1.656 177.514 175.800 0.097 0.000 1.154 238 F CA -0.045 58.002 58.000 0.078 0.000 1.446 238 F CB -0.462 38.593 39.000 0.091 0.000 1.112 238 F HN 0.155 8.455 8.300 -0.000 0.000 0.584 239 A N -0.318 122.628 122.820 0.210 0.000 2.745 239 A HA -0.301 4.019 4.320 0.001 0.000 0.296 239 A C -0.360 177.362 177.584 0.229 0.000 1.500 239 A CA 0.952 53.077 52.037 0.148 0.000 0.766 239 A CB -2.665 16.395 19.000 0.101 0.000 1.030 239 A HN 0.484 8.634 8.150 -0.000 0.000 0.489 240 Y N -1.975 118.381 120.300 0.093 0.000 2.504 240 Y HA 0.565 5.115 4.550 0.001 0.000 0.344 240 Y C 0.262 176.185 175.900 0.039 0.000 1.023 240 Y CA -0.880 57.259 58.100 0.065 0.000 1.020 240 Y CB 1.171 39.676 38.460 0.075 0.000 1.282 240 Y HN 0.342 8.622 8.280 -0.000 0.000 0.454 241 R N 3.771 123.984 120.500 -0.480 0.000 2.878 241 R HA 0.623 4.964 4.340 0.001 0.000 0.239 241 R C -1.225 175.045 176.300 -0.049 0.000 1.515 241 R CA 0.581 56.540 56.100 -0.235 0.000 1.210 241 R CB -0.753 29.369 30.300 -0.296 0.000 1.209 241 R HN 0.693 8.963 8.270 -0.000 0.000 0.610 242 A N 1.361 124.225 122.820 0.074 0.000 2.536 242 A HA 0.749 5.070 4.320 0.001 0.000 0.293 242 A C -1.088 176.517 177.584 0.035 0.000 1.119 242 A CA -0.383 51.704 52.037 0.083 0.000 0.654 242 A CB 1.250 20.347 19.000 0.162 0.000 1.291 242 A HN 0.599 8.749 8.150 -0.000 0.000 0.439 243 G N -1.781 107.009 108.800 -0.016 0.000 2.708 243 G HA2 0.924 4.885 3.960 0.001 0.000 0.289 243 G HA3 0.924 4.885 3.960 0.001 0.000 0.289 243 G C -0.839 173.966 174.900 -0.158 0.000 1.416 243 G CA 0.161 45.231 45.100 -0.050 0.000 0.829 243 G HN 2.152 10.442 8.290 -0.000 0.000 0.480 244 A N -0.590 122.098 122.820 -0.220 0.000 2.572 244 A HA 0.798 5.119 4.320 0.001 0.000 0.295 244 A C -1.348 175.974 177.584 -0.437 0.000 1.072 244 A CA -0.548 51.188 52.037 -0.501 0.000 0.691 244 A CB 1.307 19.707 19.000 -1.000 0.000 1.291 244 A HN 0.719 8.869 8.150 -0.000 0.000 0.404 245 I N 1.682 121.961 120.570 -0.485 0.000 2.406 245 I HA 0.368 4.538 4.170 0.001 0.000 0.290 245 I C -0.877 175.058 176.117 -0.303 0.000 0.999 245 I CA -0.310 60.847 61.300 -0.239 0.000 1.124 245 I CB 1.377 39.286 38.000 -0.151 0.000 1.289 245 I HN 0.598 8.808 8.210 -0.000 0.000 0.441 246 W N 5.003 126.207 121.300 -0.159 0.000 2.573 246 W HA 0.531 5.192 4.660 0.001 0.000 0.326 246 W C -0.819 175.656 176.519 -0.073 0.000 1.049 246 W CA -0.496 56.727 57.345 -0.205 0.000 1.220 246 W CB 2.140 31.251 29.460 -0.581 0.000 1.373 246 W HN 0.361 8.541 8.180 -0.000 0.000 0.507 247 C N 2.266 121.768 119.300 0.337 0.000 2.626 247 C HA 0.263 4.724 4.460 0.001 0.000 0.310 247 C C 0.587 175.803 174.990 0.377 0.000 1.191 247 C CA -0.738 58.498 59.018 0.364 0.000 1.517 247 C CB 1.559 29.485 27.740 0.310 0.000 2.102 247 C HN 0.529 8.759 8.230 -0.000 0.000 0.479 248 N N 2.972 121.817 118.700 0.241 0.000 2.714 248 N HA 0.211 4.952 4.740 0.001 0.000 0.298 248 N C -0.296 175.210 175.510 -0.006 0.000 1.298 248 N CA 0.108 53.198 53.050 0.066 0.000 1.007 248 N CB -0.133 38.284 38.487 -0.117 0.000 1.318 248 N HN 0.960 9.340 8.380 -0.000 0.000 0.516 249 N N -2.135 116.596 118.700 0.051 0.000 3.427 249 N HA 0.018 4.758 4.740 0.001 0.000 0.313 249 N C -0.210 175.356 175.510 0.094 0.000 1.491 249 N CA -0.644 52.437 53.050 0.052 0.000 0.870 249 N CB 0.874 39.382 38.487 0.035 0.000 1.763 249 N HN -0.152 8.228 8.380 -0.000 0.000 0.502 250 E N -0.637 119.622 120.200 0.098 0.000 2.479 250 E HA 0.174 4.525 4.350 0.001 0.000 0.193 250 E C 0.475 177.144 176.600 0.115 0.000 1.049 250 E CA -0.047 56.409 56.400 0.093 0.000 0.870 250 E CB 0.117 29.861 29.700 0.073 0.000 0.944 250 E HN 0.400 8.760 8.360 -0.000 0.000 0.492 251 V N 1.477 121.493 119.914 0.171 0.000 2.407 251 V HA -0.236 3.885 4.120 0.001 0.000 0.248 251 V C 1.797 177.954 176.094 0.106 0.000 1.055 251 V CA 1.390 63.797 62.300 0.178 0.000 1.049 251 V CB -0.368 31.656 31.823 0.335 0.000 0.662 251 V HN 0.369 8.559 8.190 -0.000 0.000 0.455 252 N N 0.123 118.881 118.700 0.097 0.000 2.520 252 N HA -0.087 4.654 4.740 0.001 0.000 0.185 252 N C 1.840 177.354 175.510 0.007 0.000 1.068 252 N CA 0.789 53.854 53.050 0.024 0.000 0.911 252 N CB -0.254 38.237 38.487 0.007 0.000 0.961 252 N HN 0.496 8.876 8.380 -0.000 0.000 0.446 253 R N -0.955 119.576 120.500 0.053 0.000 2.193 253 R HA 0.114 4.454 4.340 0.001 0.000 0.213 253 R C 1.535 177.928 176.300 0.154 0.000 1.055 253 R CA 0.658 56.810 56.100 0.088 0.000 0.995 253 R CB 0.076 30.432 30.300 0.092 0.000 0.893 253 R HN 0.256 8.526 8.270 -0.000 0.000 0.459 254 C N -1.036 118.331 119.300 0.112 0.000 2.609 254 C HA 0.136 4.597 4.460 0.001 0.000 0.305 254 C C 2.490 177.520 174.990 0.067 0.000 1.319 254 C CA -0.297 58.813 59.018 0.154 0.000 1.793 254 C CB -0.089 27.710 27.740 0.098 0.000 2.260 254 C HN 0.193 8.423 8.230 -0.000 0.000 0.535 255 V N 2.729 122.626 119.914 -0.029 0.000 2.278 255 V HA -0.198 3.923 4.120 0.001 0.000 0.251 255 V C -0.328 175.654 176.094 -0.187 0.000 1.062 255 V CA 2.499 64.742 62.300 -0.096 0.000 1.038 255 V CB -1.841 29.915 31.823 -0.110 0.000 0.646 255 V HN 0.375 8.565 8.190 -0.000 0.000 0.447 256 P HA -0.103 4.317 4.420 -0.000 0.000 0.221 256 P C 1.024 177.904 177.300 -0.699 0.000 1.145 256 P CA 1.449 64.181 63.100 -0.612 0.000 0.795 256 P CB -0.116 31.031 31.700 -0.922 0.000 0.775 257 F N -2.870 117.014 119.950 -0.110 0.000 2.678 257 F HA 0.311 4.839 4.527 0.001 0.000 0.305 257 F C 1.803 177.556 175.800 -0.078 0.000 1.090 257 F CA 0.166 58.092 58.000 -0.123 0.000 1.272 257 F CB -0.242 38.692 39.000 -0.109 0.000 1.060 257 F HN -0.157 8.143 8.300 -0.000 0.000 0.576 258 I N -2.226 118.374 120.570 0.050 0.000 4.033 258 I HA 0.041 4.211 4.170 0.001 0.000 0.296 258 I C 1.103 177.228 176.117 0.012 0.000 1.210 258 I CA 0.109 61.434 61.300 0.042 0.000 1.341 258 I CB 0.147 38.154 38.000 0.013 0.000 1.369 258 I HN -0.115 8.095 8.210 -0.000 0.000 0.453 259 S N 0.748 116.434 115.700 -0.024 0.000 2.525 259 S HA -0.016 4.454 4.470 0.001 0.000 0.285 259 S C 1.081 175.779 174.600 0.163 0.000 1.283 259 S CA -0.091 58.107 58.200 -0.004 0.000 1.072 259 S CB 0.226 63.405 63.200 -0.035 0.000 0.867 259 S HN 0.159 8.469 8.310 -0.000 0.000 0.492 260 Y N 5.246 125.612 120.300 0.111 0.000 2.145 260 Y HA 0.054 4.604 4.550 0.001 0.000 0.286 260 Y C -0.510 175.521 175.900 0.219 0.000 1.145 260 Y CA 0.714 58.970 58.100 0.260 0.000 1.148 260 Y CB -2.256 36.364 38.460 0.266 0.000 0.981 260 Y HN 0.591 8.871 8.280 -0.000 0.000 0.507 261 P HA -0.137 4.283 4.420 -0.000 0.000 0.218 261 P C 1.425 178.787 177.300 0.103 0.000 1.148 261 P CA 2.297 65.518 63.100 0.202 0.000 0.822 261 P CB -0.089 31.723 31.700 0.187 0.000 0.784 262 A N -1.246 121.601 122.820 0.045 0.000 1.968 262 A HA -0.087 4.233 4.320 0.001 0.000 0.217 262 A C 2.129 179.636 177.584 -0.129 0.000 1.169 262 A CA 1.148 53.148 52.037 -0.063 0.000 0.638 262 A CB -1.310 17.616 19.000 -0.124 0.000 0.812 262 A HN 0.117 8.267 8.150 -0.000 0.000 0.446 263 I N -2.519 117.963 120.570 -0.147 0.000 2.339 263 I HA -0.051 4.119 4.170 0.001 0.000 0.245 263 I C 1.325 177.180 176.117 -0.437 0.000 1.096 263 I CA 1.010 62.065 61.300 -0.409 0.000 1.408 263 I CB -0.034 37.557 38.000 -0.683 0.000 1.092 263 I HN 0.261 8.471 8.210 -0.000 0.000 0.423 264 F N -0.362 119.585 119.950 -0.006 0.000 2.678 264 F HA 0.267 4.794 4.527 0.001 0.000 0.305 264 F C 0.901 176.701 175.800 0.001 0.000 1.090 264 F CA -0.071 57.916 58.000 -0.021 0.000 1.272 264 F CB 0.339 39.289 39.000 -0.084 0.000 1.060 264 F HN -0.194 8.106 8.300 -0.000 0.000 0.576 265 S N -0.187 115.593 115.700 0.134 0.000 2.526 265 S HA 0.484 4.955 4.470 0.001 0.000 0.293 265 S C -0.074 174.558 174.600 0.053 0.000 1.092 265 S CA -0.754 57.503 58.200 0.094 0.000 0.980 265 S CB 0.861 64.118 63.200 0.094 0.000 1.048 265 S HN 0.163 8.473 8.310 -0.000 0.000 0.483 266 S N 2.872 118.600 115.700 0.047 0.000 2.568 266 S HA 0.235 4.706 4.470 0.001 0.000 0.282 266 S C 0.496 175.105 174.600 0.014 0.000 1.338 266 S CA -0.183 58.038 58.200 0.035 0.000 1.045 266 S CB 0.687 63.906 63.200 0.032 0.000 0.873 266 S HN 0.743 9.053 8.310 -0.000 0.000 0.516 267 T N 2.456 117.013 114.554 0.006 0.000 2.788 267 T HA 0.297 4.648 4.350 0.001 0.000 0.287 267 T C 0.290 174.973 174.700 -0.027 0.000 1.007 267 T CA -0.855 61.234 62.100 -0.018 0.000 1.005 267 T CB -0.072 68.783 68.868 -0.022 0.000 1.012 267 T HN 0.562 8.802 8.240 -0.000 0.000 0.530 268 L N 3.649 124.845 121.223 -0.045 0.000 2.490 268 L HA 0.135 4.475 4.340 0.001 0.000 0.274 268 L C 0.648 177.458 176.870 -0.100 0.000 1.201 268 L CA -0.175 54.626 54.840 -0.065 0.000 0.869 268 L CB 0.103 42.124 42.059 -0.062 0.000 1.123 268 L HN 0.589 8.819 8.230 -0.000 0.000 0.484 269 L N 5.651 126.773 121.223 -0.169 0.000 2.473 269 L HA 0.096 4.436 4.340 0.001 0.000 0.268 269 L C -1.038 175.682 176.870 -0.250 0.000 1.215 269 L CA -0.914 53.800 54.840 -0.210 0.000 0.823 269 L CB -0.208 41.661 42.059 -0.316 0.000 1.099 269 L HN 0.390 8.620 8.230 -0.000 0.000 0.483 270 P HA -0.140 4.280 4.420 -0.000 0.000 0.221 270 P C 1.293 178.568 177.300 -0.040 0.000 1.150 270 P CA 1.212 64.279 63.100 -0.054 0.000 0.800 270 P CB 0.011 31.727 31.700 0.026 0.000 0.787 271 Y N -0.208 120.097 120.300 0.008 0.000 2.439 271 Y HA 0.056 4.606 4.550 0.001 0.000 0.292 271 Y C 1.711 177.601 175.900 -0.017 0.000 1.130 271 Y CA 0.484 58.585 58.100 0.002 0.000 1.254 271 Y CB -1.550 36.921 38.460 0.018 0.000 1.000 271 Y HN -0.019 8.261 8.280 -0.000 0.000 0.554 272 E N 1.314 121.224 120.200 -0.483 0.000 2.077 272 E HA -0.161 4.189 4.350 0.001 0.000 0.193 272 E C 2.436 178.835 176.600 -0.335 0.000 0.989 272 E CA 1.063 57.259 56.400 -0.339 0.000 0.800 272 E CB -0.271 29.283 29.700 -0.244 0.000 0.746 272 E HN 0.624 8.984 8.360 -0.000 0.000 0.452 273 A N 1.665 124.349 122.820 -0.226 0.000 1.972 273 A HA -0.096 4.224 4.320 0.001 0.000 0.219 273 A C 2.392 179.890 177.584 -0.144 0.000 1.169 273 A CA 1.586 53.513 52.037 -0.184 0.000 0.635 273 A CB -0.493 18.433 19.000 -0.123 0.000 0.810 273 A HN 0.287 8.437 8.150 -0.000 0.000 0.446 274 A N -0.399 122.368 122.820 -0.090 0.000 1.898 274 A HA 0.160 4.481 4.320 0.001 0.000 0.216 274 A C 2.430 179.974 177.584 -0.066 0.000 1.181 274 A CA 1.776 53.786 52.037 -0.044 0.000 0.620 274 A CB -1.411 17.599 19.000 0.015 0.000 0.819 274 A HN 0.737 8.887 8.150 -0.000 0.000 0.442 275 G N -0.262 108.479 108.800 -0.098 0.000 2.469 275 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 275 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 275 G C 1.318 176.128 174.900 -0.150 0.000 1.136 275 G CA 1.229 46.261 45.100 -0.114 0.000 0.759 275 G HN 0.344 8.634 8.290 -0.000 0.000 0.562 276 L N 0.845 121.931 121.223 -0.227 0.000 2.141 276 L HA 0.025 4.366 4.340 0.001 0.000 0.209 276 L C 2.717 179.569 176.870 -0.030 0.000 1.094 276 L CA 1.275 56.039 54.840 -0.127 0.000 0.763 276 L CB -0.901 41.045 42.059 -0.188 0.000 0.908 276 L HN 0.403 8.633 8.230 -0.000 0.000 0.437 277 E N -1.404 118.763 120.200 -0.055 0.000 2.072 277 E HA -0.172 4.179 4.350 0.001 0.000 0.191 277 E C 1.955 178.530 176.600 -0.041 0.000 0.985 277 E CA 1.637 58.016 56.400 -0.035 0.000 0.801 277 E CB -0.179 29.502 29.700 -0.032 0.000 0.750 277 E HN 0.424 8.784 8.360 -0.000 0.000 0.452 278 T N 0.560 115.085 114.554 -0.049 0.000 2.857 278 T HA -0.096 4.255 4.350 0.001 0.000 0.266 278 T C 2.020 176.654 174.700 -0.109 0.000 1.048 278 T CA 1.483 63.543 62.100 -0.067 0.000 1.139 278 T CB -0.281 68.555 68.868 -0.053 0.000 0.874 278 T HN 0.159 8.399 8.240 -0.000 0.000 0.455 279 T N 2.633 117.133 114.554 -0.090 0.000 2.746 279 T HA -0.058 4.292 4.350 0.001 0.000 0.267 279 T C 1.885 176.458 174.700 -0.211 0.000 1.039 279 T CA 0.883 62.902 62.100 -0.135 0.000 1.142 279 T CB -0.482 68.374 68.868 -0.020 0.000 0.866 279 T HN 0.131 8.371 8.240 -0.000 0.000 0.444 280 L N 1.579 122.750 121.223 -0.088 0.000 2.012 280 L HA -0.106 4.234 4.340 0.001 0.000 0.210 280 L C 2.247 178.974 176.870 -0.238 0.000 1.073 280 L CA 1.848 56.590 54.840 -0.164 0.000 0.748 280 L CB -0.765 41.258 42.059 -0.061 0.000 0.891 280 L HN 0.285 8.515 8.230 -0.000 0.000 0.431 281 E N -0.408 119.702 120.200 -0.149 0.000 2.077 281 E HA -0.237 4.113 4.350 0.001 0.000 0.193 281 E C 2.264 178.789 176.600 -0.125 0.000 0.989 281 E CA 1.766 58.099 56.400 -0.113 0.000 0.800 281 E CB -0.280 29.376 29.700 -0.072 0.000 0.746 281 E HN 0.582 8.942 8.360 -0.000 0.000 0.452 282 I N 0.929 121.396 120.570 -0.173 0.000 2.226 282 I HA -0.269 3.901 4.170 0.001 0.000 0.245 282 I C 2.339 178.360 176.117 -0.161 0.000 1.100 282 I CA 1.009 62.197 61.300 -0.188 0.000 1.374 282 I CB -0.183 37.614 38.000 -0.337 0.000 1.057 282 I HN 0.104 8.314 8.210 -0.000 0.000 0.413 283 I N 0.560 120.991 120.570 -0.232 0.000 2.179 283 I HA -0.287 3.884 4.170 0.001 0.000 0.242 283 I C 2.414 178.482 176.117 -0.082 0.000 1.088 283 I CA 1.529 62.702 61.300 -0.213 0.000 1.357 283 I CB -0.420 37.321 38.000 -0.432 0.000 1.051 283 I HN 0.236 8.446 8.210 -0.000 0.000 0.409 284 E N 0.337 120.485 120.200 -0.088 0.000 2.171 284 E HA -0.192 4.159 4.350 0.001 0.000 0.197 284 E C 1.962 178.590 176.600 0.046 0.000 0.997 284 E CA 1.515 57.943 56.400 0.048 0.000 0.810 284 E CB -0.045 29.676 29.700 0.035 0.000 0.738 284 E HN 0.371 8.731 8.360 -0.000 0.000 0.467 285 S N -0.137 115.565 115.700 0.003 0.000 2.575 285 S HA 0.174 4.645 4.470 0.001 0.000 0.215 285 S C 0.979 175.589 174.600 0.016 0.000 0.966 285 S CA 0.086 58.294 58.200 0.014 0.000 0.911 285 S CB 0.850 64.053 63.200 0.004 0.000 0.780 285 S HN 0.222 8.532 8.310 -0.000 0.000 0.514 286 A N 1.478 124.304 122.820 0.011 0.000 3.019 286 A HA 0.221 4.541 4.320 0.001 0.000 0.262 286 A C 0.807 178.408 177.584 0.028 0.000 1.509 286 A CA -0.298 51.750 52.037 0.018 0.000 1.159 286 A CB -0.356 18.648 19.000 0.006 0.000 1.042 286 A HN 0.100 8.250 8.150 -0.000 0.000 0.641 287 D N 0.630 121.047 120.400 0.028 0.000 2.117 287 D HA -0.142 4.499 4.640 0.001 0.000 0.197 287 D C 1.437 177.754 176.300 0.028 0.000 0.987 287 D CA 1.258 55.274 54.000 0.027 0.000 0.829 287 D CB 0.067 40.882 40.800 0.025 0.000 0.961 287 D HN 0.413 8.783 8.370 -0.000 0.000 0.460 288 N N 0.487 119.205 118.700 0.030 0.000 2.216 288 N HA -0.037 4.703 4.740 0.001 0.000 0.183 288 N C 1.803 177.349 175.510 0.061 0.000 1.017 288 N CA 0.453 53.525 53.050 0.036 0.000 0.861 288 N CB -0.071 38.427 38.487 0.019 0.000 0.986 288 N HN 0.222 8.602 8.380 -0.000 0.000 0.428 289 R N 0.829 121.362 120.500 0.056 0.000 2.073 289 R HA 0.010 4.350 4.340 0.001 0.000 0.234 289 R C 2.255 178.610 176.300 0.091 0.000 1.134 289 R CA 1.063 57.214 56.100 0.085 0.000 0.952 289 R CB -0.150 30.192 30.300 0.069 0.000 0.850 289 R HN 0.238 8.508 8.270 -0.000 0.000 0.433 290 R N 0.644 121.173 120.500 0.047 0.000 2.080 290 R HA -0.222 4.118 4.340 0.001 0.000 0.236 290 R C 2.530 178.826 176.300 -0.006 0.000 1.137 290 R CA 1.977 58.080 56.100 0.004 0.000 0.943 290 R CB -0.419 29.872 30.300 -0.016 0.000 0.846 290 R HN 0.358 8.628 8.270 -0.000 0.000 0.431 291 Q N 0.110 119.920 119.800 0.017 0.000 2.045 291 Q HA -0.298 4.043 4.340 0.001 0.000 0.206 291 Q C 2.036 178.063 176.000 0.044 0.000 0.991 291 Q CA 2.228 58.042 55.803 0.019 0.000 0.851 291 Q CB -0.289 28.469 28.738 0.034 0.000 0.911 291 Q HN 0.476 8.746 8.270 -0.000 0.000 0.418 292 H N -0.019 119.045 119.070 -0.009 0.000 2.387 292 H HA -0.142 4.414 4.556 0.001 0.000 0.299 292 H C 1.877 177.204 175.328 -0.002 0.000 1.090 292 H CA 1.741 57.788 56.048 -0.001 0.000 1.332 292 H CB -0.180 29.587 29.762 0.009 0.000 1.386 292 H HN 0.356 8.636 8.280 -0.000 0.000 0.516 293 L N 0.450 121.652 121.223 -0.035 0.000 2.027 293 L HA -0.070 4.271 4.340 0.001 0.000 0.206 293 L C 2.040 178.839 176.870 -0.118 0.000 1.074 293 L CA 2.431 57.220 54.840 -0.086 0.000 0.745 293 L CB -0.989 41.068 42.059 -0.003 0.000 0.898 293 L HN 0.432 8.662 8.230 -0.000 0.000 0.433 294 D N -0.860 119.477 120.400 -0.104 0.000 2.123 294 D HA -0.284 4.356 4.640 0.001 0.000 0.196 294 D C 2.375 178.621 176.300 -0.090 0.000 0.992 294 D CA 1.540 55.477 54.000 -0.104 0.000 0.833 294 D CB -0.123 40.612 40.800 -0.108 0.000 0.954 294 D HN 0.336 8.706 8.370 -0.000 0.000 0.455 295 R N -0.735 119.705 120.500 -0.101 0.000 2.066 295 R HA -0.107 4.233 4.340 0.001 0.000 0.232 295 R C 2.130 178.359 176.300 -0.118 0.000 1.131 295 R CA 1.343 57.388 56.100 -0.093 0.000 0.955 295 R CB -0.084 30.169 30.300 -0.078 0.000 0.851 295 R HN 0.212 8.482 8.270 -0.000 0.000 0.432 296 M N 0.364 119.843 119.600 -0.203 0.000 2.117 296 M HA -0.072 4.408 4.480 0.001 0.000 0.262 296 M C 2.427 178.669 176.300 -0.096 0.000 1.065 296 M CA 1.690 56.882 55.300 -0.180 0.000 1.114 296 M CB -1.155 31.280 32.600 -0.275 0.000 1.361 296 M HN 0.299 8.589 8.290 -0.000 0.000 0.408 297 A N -0.050 122.719 122.820 -0.085 0.000 1.902 297 A HA -0.174 4.146 4.320 0.001 0.000 0.217 297 A C 2.422 179.983 177.584 -0.039 0.000 1.181 297 A CA 1.768 53.775 52.037 -0.050 0.000 0.623 297 A CB -0.692 18.280 19.000 -0.047 0.000 0.818 297 A HN 0.466 8.616 8.150 -0.000 0.000 0.443 298 R N -0.353 120.122 120.500 -0.043 0.000 2.075 298 R HA -0.179 4.162 4.340 0.001 0.000 0.232 298 R C 2.233 178.516 176.300 -0.027 0.000 1.126 298 R CA 1.887 57.969 56.100 -0.030 0.000 0.963 298 R CB -0.188 30.095 30.300 -0.028 0.000 0.858 298 R HN 0.393 8.663 8.270 -0.000 0.000 0.435 299 K N 0.829 121.209 120.400 -0.033 0.000 2.063 299 K HA -0.130 4.190 4.320 0.001 0.000 0.208 299 K C 1.927 178.514 176.600 -0.021 0.000 1.048 299 K CA 1.396 57.668 56.287 -0.025 0.000 0.928 299 K CB -0.469 32.014 32.500 -0.029 0.000 0.713 299 K HN 0.227 8.477 8.250 -0.000 0.000 0.442 300 L N 0.147 121.355 121.223 -0.024 0.000 2.027 300 L HA -0.151 4.190 4.340 0.001 0.000 0.206 300 L C 2.489 179.346 176.870 -0.023 0.000 1.074 300 L CA 1.461 56.290 54.840 -0.019 0.000 0.745 300 L CB -0.231 41.819 42.059 -0.015 0.000 0.898 300 L HN 0.274 8.504 8.230 -0.000 0.000 0.433 301 R N -0.236 120.251 120.500 -0.023 0.000 2.073 301 R HA -0.170 4.170 4.340 0.001 0.000 0.234 301 R C 2.190 178.476 176.300 -0.024 0.000 1.134 301 R CA 1.567 57.653 56.100 -0.024 0.000 0.952 301 R CB -0.288 30.000 30.300 -0.019 0.000 0.850 301 R HN 0.374 8.644 8.270 -0.000 0.000 0.433 302 I N -0.369 120.189 120.570 -0.019 0.000 2.252 302 I HA -0.177 3.993 4.170 0.001 0.000 0.245 302 I C 2.513 178.619 176.117 -0.017 0.000 1.102 302 I CA 1.420 62.711 61.300 -0.016 0.000 1.385 302 I CB -0.632 37.361 38.000 -0.012 0.000 1.064 302 I HN 0.333 8.543 8.210 -0.000 0.000 0.414 303 G N 1.013 109.803 108.800 -0.017 0.000 2.418 303 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 303 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 303 G C 1.703 176.588 174.900 -0.026 0.000 1.158 303 G CA 0.557 45.647 45.100 -0.016 0.000 0.771 303 G HN 0.266 8.556 8.290 -0.000 0.000 0.545 304 L N 0.408 121.607 121.223 -0.040 0.000 2.131 304 L HA 0.014 4.355 4.340 0.001 0.000 0.206 304 L C 3.151 179.979 176.870 -0.069 0.000 1.087 304 L CA 0.815 55.613 54.840 -0.070 0.000 0.767 304 L CB -0.318 41.686 42.059 -0.092 0.000 0.917 304 L HN 0.150 8.380 8.230 -0.000 0.000 0.441 305 S N 0.267 115.938 115.700 -0.048 0.000 2.368 305 S HA -0.247 4.223 4.470 0.001 0.000 0.225 305 S C 1.847 176.432 174.600 -0.025 0.000 1.030 305 S CA 1.658 59.837 58.200 -0.036 0.000 0.999 305 S CB -0.290 62.896 63.200 -0.024 0.000 0.844 305 S HN 0.563 8.873 8.310 -0.000 0.000 0.459 306 Q N 0.416 120.204 119.800 -0.020 0.000 2.364 306 Q HA 0.032 4.372 4.340 0.001 0.000 0.209 306 Q C 1.358 177.353 176.000 -0.008 0.000 0.977 306 Q CA 0.809 56.605 55.803 -0.010 0.000 0.885 306 Q CB -0.352 28.382 28.738 -0.007 0.000 0.941 306 Q HN 0.305 8.575 8.270 -0.000 0.000 0.464 307 L N 0.055 121.267 121.223 -0.019 0.000 2.478 307 L HA 0.194 4.534 4.340 0.001 0.000 0.223 307 L C 1.461 178.330 176.870 -0.002 0.000 1.140 307 L CA 1.636 56.468 54.840 -0.013 0.000 0.842 307 L CB -0.357 41.679 42.059 -0.037 0.000 0.953 307 L HN 0.555 8.785 8.230 -0.000 0.000 0.452 308 G N -1.493 107.303 108.800 -0.007 0.000 2.176 308 G HA2 -0.234 3.726 3.960 0.001 0.000 0.232 308 G HA3 -0.234 3.726 3.960 0.001 0.000 0.232 308 G C 0.143 175.052 174.900 0.014 0.000 0.986 308 G CA -0.117 44.991 45.100 0.013 0.000 0.643 308 G HN 0.170 8.460 8.290 -0.000 0.000 0.522 309 L N 2.202 123.402 121.223 -0.038 0.000 2.416 309 L HA 0.441 4.781 4.340 0.001 0.000 0.272 309 L C 1.154 178.007 176.870 -0.029 0.000 1.161 309 L CA 0.493 55.294 54.840 -0.065 0.000 0.845 309 L CB 0.851 42.763 42.059 -0.246 0.000 1.119 309 L HN 0.115 8.345 8.230 -0.000 0.000 0.464 310 T N 4.802 119.362 114.554 0.010 0.000 2.769 310 T HA 0.281 4.631 4.350 0.001 0.000 0.293 310 T C 0.139 174.829 174.700 -0.016 0.000 0.931 310 T CA 0.117 62.221 62.100 0.007 0.000 1.139 310 T CB -0.186 68.701 68.868 0.032 0.000 0.881 310 T HN 0.170 8.410 8.240 -0.000 0.000 0.532 311 I N 4.595 125.150 120.570 -0.025 0.000 2.464 311 I HA 0.292 4.463 4.170 0.001 0.000 0.277 311 I C 1.196 177.298 176.117 -0.025 0.000 1.040 311 I CA -0.371 60.909 61.300 -0.033 0.000 1.153 311 I CB 1.103 39.079 38.000 -0.041 0.000 1.274 311 I HN 0.621 8.831 8.210 -0.000 0.000 0.469 312 R N 1.613 122.095 120.500 -0.030 0.000 2.193 312 R HA 0.018 4.358 4.340 0.001 0.000 0.213 312 R C 1.152 177.441 176.300 -0.017 0.000 1.055 312 R CA 0.198 56.282 56.100 -0.027 0.000 0.995 312 R CB 0.267 30.537 30.300 -0.049 0.000 0.893 312 R HN 0.546 8.816 8.270 -0.000 0.000 0.459 313 S N 1.244 116.931 115.700 -0.022 0.000 2.558 313 S HA -0.097 4.374 4.470 0.001 0.000 0.287 313 S C 0.312 174.913 174.600 0.002 0.000 1.321 313 S CA 0.283 58.477 58.200 -0.011 0.000 1.048 313 S CB 0.467 63.656 63.200 -0.019 0.000 0.844 313 S HN 0.286 8.596 8.310 -0.000 0.000 0.512 314 E N 1.958 122.168 120.200 0.017 0.000 2.995 314 E HA 0.246 4.597 4.350 0.001 0.000 0.203 314 E C -0.276 176.349 176.600 0.042 0.000 0.980 314 E CA -0.334 56.082 56.400 0.025 0.000 1.172 314 E CB 0.725 30.444 29.700 0.032 0.000 1.088 314 E HN 0.624 8.984 8.360 -0.000 0.000 0.463 315 S N -0.209 115.507 115.700 0.026 0.000 2.880 315 S HA 0.074 4.545 4.470 0.001 0.000 0.308 315 S C 0.642 175.236 174.600 -0.011 0.000 1.195 315 S CA -0.796 57.427 58.200 0.038 0.000 0.866 315 S CB 0.784 64.005 63.200 0.034 0.000 1.254 315 S HN 0.037 8.347 8.310 -0.000 0.000 0.571 316 Q N 0.316 120.085 119.800 -0.051 0.000 2.482 316 Q HA 0.209 4.549 4.340 0.001 0.000 0.209 316 Q C 0.012 175.979 176.000 -0.056 0.000 0.961 316 Q CA 0.580 56.333 55.803 -0.083 0.000 0.945 316 Q CB -0.527 28.110 28.738 -0.168 0.000 1.012 316 Q HN 0.735 9.005 8.270 -0.000 0.000 0.515 317 I N 1.847 122.380 120.570 -0.062 0.000 2.304 317 I HA 0.267 4.437 4.170 0.001 0.000 0.291 317 I C -0.687 175.418 176.117 -0.021 0.000 1.018 317 I CA -0.910 60.375 61.300 -0.025 0.000 1.260 317 I CB 0.983 38.937 38.000 -0.077 0.000 1.390 317 I HN -0.041 8.169 8.210 -0.000 0.000 0.475 318 I N 5.805 126.375 120.570 0.002 0.000 2.382 318 I HA 0.376 4.546 4.170 0.001 0.000 0.286 318 I C 0.569 176.685 176.117 -0.003 0.000 1.002 318 I CA -0.036 61.259 61.300 -0.007 0.000 1.135 318 I CB 1.795 39.793 38.000 -0.003 0.000 1.288 318 I HN 0.530 8.740 8.210 -0.000 0.000 0.448 319 G N 7.278 116.065 108.800 -0.022 0.000 2.356 319 G HA2 0.562 4.522 3.960 0.001 0.000 0.312 319 G HA3 0.562 4.522 3.960 0.001 0.000 0.312 319 G C -0.377 174.530 174.900 0.011 0.000 1.096 319 G CA -0.520 44.574 45.100 -0.010 0.000 0.950 319 G HN 0.475 8.765 8.290 -0.000 0.000 0.428 320 L N 2.614 123.866 121.223 0.049 0.000 2.315 320 L HA 0.240 4.580 4.340 0.001 0.000 0.283 320 L C 0.334 177.302 176.870 0.163 0.000 1.089 320 L CA -0.233 54.656 54.840 0.083 0.000 0.833 320 L CB 0.855 42.997 42.059 0.138 0.000 1.170 320 L HN 0.508 8.738 8.230 -0.000 0.000 0.442 321 E N 2.157 122.466 120.200 0.182 0.000 2.105 321 E HA 0.119 4.470 4.350 0.001 0.000 0.285 321 E C 0.390 177.134 176.600 0.239 0.000 1.055 321 E CA -0.136 56.373 56.400 0.181 0.000 0.843 321 E CB 0.943 30.726 29.700 0.138 0.000 1.067 321 E HN 0.633 8.993 8.360 -0.000 0.000 0.398 322 T N 0.077 114.713 114.554 0.136 0.000 3.132 322 T HA 0.345 4.696 4.350 0.001 0.000 0.274 322 T C 1.069 175.733 174.700 -0.059 0.000 1.011 322 T CA 0.014 62.104 62.100 -0.018 0.000 0.899 322 T CB 0.441 69.247 68.868 -0.103 0.000 1.089 322 T HN 0.630 8.870 8.240 -0.000 0.000 0.543 323 G N 3.043 111.902 108.800 0.099 0.000 2.591 323 G HA2 -0.297 3.663 3.960 0.001 0.000 0.298 323 G HA3 -0.297 3.663 3.960 0.001 0.000 0.298 323 G C -0.314 174.632 174.900 0.077 0.000 1.195 323 G CA 0.300 45.496 45.100 0.160 0.000 0.989 323 G HN 0.995 9.285 8.290 -0.000 0.000 0.551 324 D N 0.795 121.248 120.400 0.088 0.000 2.358 324 D HA 0.413 5.054 4.640 0.001 0.000 0.244 324 D C 1.321 177.601 176.300 -0.034 0.000 1.163 324 D CA 0.384 54.404 54.000 0.033 0.000 0.945 324 D CB 0.391 41.224 40.800 0.054 0.000 1.152 324 D HN 0.664 9.034 8.370 -0.000 0.000 0.451 325 E N -0.126 120.043 120.200 -0.051 0.000 2.085 325 E HA -0.214 4.137 4.350 0.001 0.000 0.194 325 E C 1.995 178.538 176.600 -0.096 0.000 0.994 325 E CA 1.013 57.362 56.400 -0.085 0.000 0.801 325 E CB -0.030 29.599 29.700 -0.119 0.000 0.743 325 E HN 0.431 8.791 8.360 -0.000 0.000 0.453 326 R N 0.606 121.059 120.500 -0.079 0.000 2.073 326 R HA -0.138 4.202 4.340 0.001 0.000 0.234 326 R C 2.253 178.495 176.300 -0.097 0.000 1.134 326 R CA 1.546 57.603 56.100 -0.072 0.000 0.952 326 R CB -0.381 29.895 30.300 -0.039 0.000 0.850 326 R HN 0.103 8.373 8.270 -0.000 0.000 0.433 327 N N -0.100 118.525 118.700 -0.127 0.000 2.120 327 N HA -0.129 4.611 4.740 0.001 0.000 0.188 327 N C 1.416 176.737 175.510 -0.316 0.000 1.024 327 N CA 1.829 54.725 53.050 -0.258 0.000 0.852 327 N CB -0.064 38.122 38.487 -0.501 0.000 1.003 327 N HN 0.024 8.404 8.380 -0.000 0.000 0.424 328 T N 0.004 114.413 114.554 -0.241 0.000 2.746 328 T HA -0.171 4.179 4.350 0.001 0.000 0.267 328 T C 1.546 176.120 174.700 -0.210 0.000 1.039 328 T CA 1.360 63.330 62.100 -0.217 0.000 1.142 328 T CB -0.356 68.442 68.868 -0.116 0.000 0.866 328 T HN 0.429 8.669 8.240 -0.000 0.000 0.444 329 E N 1.040 121.142 120.200 -0.163 0.000 2.058 329 E HA -0.192 4.158 4.350 0.001 0.000 0.194 329 E C 2.107 178.608 176.600 -0.165 0.000 0.997 329 E CA 1.158 57.477 56.400 -0.134 0.000 0.801 329 E CB 0.004 29.647 29.700 -0.096 0.000 0.746 329 E HN 0.416 8.776 8.360 -0.000 0.000 0.450 330 K N 0.051 120.339 120.400 -0.187 0.000 2.057 330 K HA -0.120 4.200 4.320 0.001 0.000 0.207 330 K C 2.222 178.511 176.600 -0.518 0.000 1.049 330 K CA 1.427 57.603 56.287 -0.185 0.000 0.931 330 K CB -0.061 32.428 32.500 -0.020 0.000 0.714 330 K HN 0.057 8.307 8.250 -0.000 0.000 0.440 331 V N 2.032 121.441 119.914 -0.843 0.000 2.295 331 V HA -0.286 3.834 4.120 0.001 0.000 0.246 331 V C 2.405 178.206 176.094 -0.488 0.000 1.049 331 V CA 2.276 63.899 62.300 -1.129 0.000 1.024 331 V CB -0.591 30.698 31.823 -0.889 0.000 0.648 331 V HN 0.394 8.584 8.190 -0.000 0.000 0.447 332 R N 0.633 120.950 120.500 -0.305 0.000 2.115 332 R HA -0.088 4.253 4.340 0.001 0.000 0.226 332 R C 1.638 177.820 176.300 -0.196 0.000 1.100 332 R CA 1.838 57.821 56.100 -0.194 0.000 0.980 332 R CB -0.902 29.319 30.300 -0.132 0.000 0.875 332 R HN 0.372 8.642 8.270 -0.000 0.000 0.445 333 D N -0.077 120.223 120.400 -0.168 0.000 2.144 333 D HA -0.179 4.462 4.640 0.001 0.000 0.199 333 D C 1.516 177.750 176.300 -0.110 0.000 0.984 333 D CA 1.246 55.173 54.000 -0.121 0.000 0.834 333 D CB -0.333 40.428 40.800 -0.064 0.000 0.955 333 D HN 0.325 8.695 8.370 -0.000 0.000 0.465 334 Y N 0.716 120.887 120.300 -0.213 0.000 2.163 334 Y HA -0.181 4.369 4.550 0.001 0.000 0.288 334 Y C 2.003 177.807 175.900 -0.161 0.000 1.136 334 Y CA 1.028 59.037 58.100 -0.152 0.000 1.147 334 Y CB -0.201 38.221 38.460 -0.064 0.000 0.987 334 Y HN -0.130 8.150 8.280 -0.000 0.000 0.509 335 L N 0.883 122.083 121.223 -0.039 0.000 2.012 335 L HA -0.220 4.121 4.340 0.001 0.000 0.210 335 L C 2.309 178.980 176.870 -0.332 0.000 1.073 335 L CA 1.899 56.671 54.840 -0.113 0.000 0.748 335 L CB -1.267 40.745 42.059 -0.079 0.000 0.891 335 L HN 0.327 8.557 8.230 -0.000 0.000 0.431 336 E N -1.357 118.553 120.200 -0.483 0.000 2.077 336 E HA -0.224 4.126 4.350 0.001 0.000 0.193 336 E C 2.285 178.650 176.600 -0.392 0.000 0.989 336 E CA 1.381 57.288 56.400 -0.822 0.000 0.800 336 E CB -0.222 28.994 29.700 -0.807 0.000 0.746 336 E HN 0.400 8.760 8.360 -0.000 0.000 0.452 337 S N 0.865 116.396 115.700 -0.283 0.000 2.419 337 S HA -0.118 4.353 4.470 0.001 0.000 0.235 337 S C 1.350 175.819 174.600 -0.219 0.000 1.019 337 S CA 1.002 59.076 58.200 -0.209 0.000 0.982 337 S CB -0.085 62.972 63.200 -0.238 0.000 0.789 337 S HN 0.173 8.483 8.310 -0.000 0.000 0.490 338 N N 0.400 118.927 118.700 -0.289 0.000 2.238 338 N HA 0.214 4.955 4.740 0.001 0.000 0.222 338 N C 0.871 176.327 175.510 -0.091 0.000 1.133 338 N CA 0.683 53.600 53.050 -0.222 0.000 0.854 338 N CB 0.711 38.995 38.487 -0.338 0.000 1.041 338 N HN 0.547 8.927 8.380 -0.000 0.000 0.510 339 G N 0.299 109.078 108.800 -0.036 0.000 2.137 339 G HA2 -0.236 3.725 3.960 0.001 0.000 0.237 339 G HA3 -0.236 3.725 3.960 0.001 0.000 0.237 339 G C -0.303 174.698 174.900 0.168 0.000 1.002 339 G CA -0.042 45.139 45.100 0.136 0.000 0.702 339 G HN 0.168 8.458 8.290 -0.000 0.000 0.515 340 V N 0.279 120.191 119.914 -0.005 0.000 2.444 340 V HA 0.694 4.814 4.120 0.001 0.000 0.294 340 V C -0.459 175.566 176.094 -0.115 0.000 1.022 340 V CA -0.682 61.643 62.300 0.041 0.000 0.850 340 V CB 1.420 33.252 31.823 0.014 0.000 0.992 340 V HN 0.238 8.428 8.190 -0.000 0.000 0.426 341 F N 3.369 123.338 119.950 0.032 0.000 2.434 341 F HA 0.704 5.231 4.527 0.001 0.000 0.367 341 F C 0.920 176.753 175.800 0.054 0.000 1.093 341 F CA -0.318 57.702 58.000 0.034 0.000 1.085 341 F CB 1.697 40.711 39.000 0.023 0.000 1.322 341 F HN 0.609 8.909 8.300 -0.000 0.000 0.452 342 G N 0.713 109.599 108.800 0.143 0.000 2.671 342 G HA2 0.569 4.530 3.960 0.001 0.000 0.275 342 G HA3 0.569 4.530 3.960 0.001 0.000 0.275 342 G C -0.959 174.036 174.900 0.158 0.000 1.368 342 G CA -0.717 44.475 45.100 0.153 0.000 1.044 342 G HN 0.392 8.682 8.290 -0.000 0.000 0.543 343 S N -0.878 114.936 115.700 0.190 0.000 2.478 343 S HA 0.424 4.895 4.470 0.001 0.000 0.312 343 S C -0.178 174.522 174.600 0.167 0.000 1.094 343 S CA -0.431 57.861 58.200 0.153 0.000 1.081 343 S CB 1.745 65.051 63.200 0.177 0.000 1.007 343 S HN 0.448 8.758 8.310 -0.000 0.000 0.475 344 V N 4.268 124.212 119.914 0.050 0.000 2.479 344 V HA 0.213 4.334 4.120 0.001 0.000 0.281 344 V C -0.717 175.358 176.094 -0.031 0.000 1.031 344 V CA 0.222 62.560 62.300 0.064 0.000 1.038 344 V CB -0.535 31.306 31.823 0.031 0.000 0.981 344 V HN 0.715 8.905 8.190 -0.000 0.000 0.478 345 F N 5.132 125.139 119.950 0.094 0.000 2.361 345 F HA 0.572 5.100 4.527 0.001 0.000 0.364 345 F C 0.635 176.495 175.800 0.100 0.000 1.117 345 F CA -0.400 57.665 58.000 0.109 0.000 1.071 345 F CB 1.105 40.172 39.000 0.112 0.000 1.188 345 F HN 0.692 8.992 8.300 -0.000 0.000 0.464 346 C N 2.167 121.589 119.300 0.204 0.000 3.235 346 C HA 0.747 5.208 4.460 0.001 0.000 0.351 346 C C 0.092 175.185 174.990 0.172 0.000 1.520 346 C CA -1.572 57.543 59.018 0.162 0.000 1.474 346 C CB 1.508 29.310 27.740 0.104 0.000 2.019 346 C HN 0.902 9.132 8.230 -0.000 0.000 0.446 347 R N 1.206 121.790 120.500 0.141 0.000 2.619 347 R HA 0.151 4.492 4.340 0.001 0.000 0.268 347 R C -1.864 174.565 176.300 0.215 0.000 0.990 347 R CA 0.237 56.427 56.100 0.151 0.000 1.092 347 R CB -0.433 29.954 30.300 0.144 0.000 0.935 347 R HN 0.710 8.980 8.270 -0.000 0.000 0.415 348 P HA 0.115 4.535 4.420 -0.000 0.000 0.261 348 P C 0.479 177.799 177.300 0.034 0.000 1.352 348 P CA 0.365 63.513 63.100 0.079 0.000 0.891 348 P CB 0.575 32.307 31.700 0.053 0.000 1.383 349 A N 0.417 123.298 122.820 0.102 0.000 1.968 349 A HA 0.059 4.380 4.320 0.001 0.000 0.217 349 A C 1.378 179.014 177.584 0.086 0.000 1.169 349 A CA 1.658 53.774 52.037 0.131 0.000 0.638 349 A CB -0.885 18.316 19.000 0.335 0.000 0.812 349 A HN 0.405 8.555 8.150 -0.000 0.000 0.446 350 T N -3.978 110.640 114.554 0.107 0.000 2.858 350 T HA 0.578 4.928 4.350 0.001 0.000 0.285 350 T C 0.016 174.746 174.700 0.051 0.000 1.052 350 T CA -0.096 62.059 62.100 0.090 0.000 1.009 350 T CB 1.165 70.134 68.868 0.169 0.000 1.241 350 T HN 0.071 8.311 8.240 -0.000 0.000 0.542 351 S N 0.725 116.463 115.700 0.064 0.000 2.584 351 S HA 0.155 4.626 4.470 0.001 0.000 0.270 351 S C 1.543 176.177 174.600 0.056 0.000 1.346 351 S CA -0.549 57.684 58.200 0.055 0.000 1.018 351 S CB 0.660 63.904 63.200 0.074 0.000 0.899 351 S HN 0.948 9.258 8.310 -0.000 0.000 0.542 352 K N 1.020 121.441 120.400 0.036 0.000 2.362 352 K HA -0.020 4.301 4.320 0.001 0.000 0.200 352 K C 0.303 176.914 176.600 0.018 0.000 1.046 352 K CA 1.218 57.514 56.287 0.015 0.000 0.952 352 K CB -0.100 32.393 32.500 -0.012 0.000 0.753 352 K HN 0.337 8.587 8.250 -0.000 0.000 0.466 353 N N 0.422 119.144 118.700 0.038 0.000 2.187 353 N HA 0.066 4.807 4.740 0.001 0.000 0.212 353 N C -0.510 175.047 175.510 0.078 0.000 1.152 353 N CA 0.108 53.188 53.050 0.050 0.000 0.872 353 N CB 0.963 39.477 38.487 0.044 0.000 1.025 353 N HN 0.090 8.470 8.380 -0.000 0.000 0.514 354 K N 1.347 121.801 120.400 0.089 0.000 3.271 354 K HA 0.259 4.579 4.320 0.001 0.000 0.192 354 K C -0.416 176.263 176.600 0.131 0.000 1.108 354 K CA -0.365 55.994 56.287 0.120 0.000 0.902 354 K CB 0.311 32.896 32.500 0.142 0.000 0.889 354 K HN 0.041 8.291 8.250 -0.000 0.000 0.520 355 N N 1.422 120.186 118.700 0.107 0.000 2.482 355 N HA 0.230 4.970 4.740 0.001 0.000 0.260 355 N C 0.013 175.602 175.510 0.131 0.000 1.236 355 N CA 0.079 53.198 53.050 0.116 0.000 0.938 355 N CB 1.146 39.674 38.487 0.069 0.000 1.128 355 N HN 0.122 8.502 8.380 -0.000 0.000 0.448 356 I N 1.808 122.481 120.570 0.172 0.000 2.545 356 I HA 0.386 4.557 4.170 0.001 0.000 0.292 356 I C 0.090 176.329 176.117 0.204 0.000 1.040 356 I CA -0.484 60.915 61.300 0.166 0.000 1.068 356 I CB 1.686 39.767 38.000 0.134 0.000 1.251 356 I HN 0.297 8.507 8.210 -0.000 0.000 0.424 357 I N 5.488 126.156 120.570 0.164 0.000 2.306 357 I HA 0.331 4.502 4.170 0.001 0.000 0.288 357 I C 0.486 176.706 176.117 0.171 0.000 1.036 357 I CA -0.548 60.855 61.300 0.171 0.000 1.221 357 I CB 0.891 38.960 38.000 0.115 0.000 1.385 357 I HN 0.448 8.658 8.210 -0.000 0.000 0.472 358 R N 6.228 126.874 120.500 0.244 0.000 2.254 358 R HA 0.437 4.777 4.340 0.001 0.000 0.318 358 R C -1.325 175.078 176.300 0.170 0.000 1.031 358 R CA -0.718 55.489 56.100 0.179 0.000 0.905 358 R CB 0.797 31.206 30.300 0.183 0.000 1.050 358 R HN 0.386 8.656 8.270 -0.000 0.000 0.456 359 L N 3.452 124.744 121.223 0.115 0.000 2.262 359 L HA 0.291 4.631 4.340 0.001 0.000 0.288 359 L C -0.415 176.531 176.870 0.128 0.000 1.035 359 L CA 0.183 55.092 54.840 0.116 0.000 0.820 359 L CB 1.596 43.702 42.059 0.079 0.000 1.204 359 L HN 0.578 8.808 8.230 -0.000 0.000 0.424 360 S N 4.980 120.784 115.700 0.174 0.000 2.423 360 S HA 0.545 5.015 4.470 0.001 0.000 0.317 360 S C 0.144 174.877 174.600 0.223 0.000 1.065 360 S CA -0.544 57.799 58.200 0.237 0.000 1.111 360 S CB 0.336 63.713 63.200 0.295 0.000 0.968 360 S HN 0.357 8.667 8.310 -0.000 0.000 0.474 361 L N 4.040 125.377 121.223 0.190 0.000 2.395 361 L HA 0.413 4.754 4.340 0.001 0.000 0.269 361 L C 0.400 177.410 176.870 0.233 0.000 1.133 361 L CA -0.454 54.479 54.840 0.155 0.000 0.812 361 L CB 0.549 42.653 42.059 0.074 0.000 1.125 361 L HN 0.679 8.909 8.230 -0.000 0.000 0.452 362 N N -1.764 117.048 118.700 0.186 0.000 2.405 362 N HA 0.238 4.979 4.740 0.001 0.000 0.285 362 N C 0.154 175.762 175.510 0.164 0.000 1.262 362 N CA -0.495 52.678 53.050 0.205 0.000 0.773 362 N CB 1.320 39.914 38.487 0.177 0.000 1.490 362 N HN 0.409 8.789 8.380 -0.000 0.000 0.486 363 S N -1.609 114.196 115.700 0.175 0.000 2.547 363 S HA -0.076 4.394 4.470 0.001 0.000 0.235 363 S C 0.291 175.030 174.600 0.232 0.000 0.980 363 S CA 0.664 58.997 58.200 0.222 0.000 0.941 363 S CB -0.392 62.917 63.200 0.181 0.000 0.763 363 S HN 0.571 8.881 8.310 -0.000 0.000 0.532 364 D N 1.192 121.685 120.400 0.155 0.000 2.349 364 D HA 0.183 4.824 4.640 0.001 0.000 0.215 364 D C 0.154 176.536 176.300 0.136 0.000 1.016 364 D CA 0.054 54.123 54.000 0.115 0.000 0.870 364 D CB 0.135 40.981 40.800 0.076 0.000 0.917 364 D HN 0.263 8.633 8.370 -0.000 0.000 0.524 365 V N 2.005 122.016 119.914 0.161 0.000 2.637 365 V HA 0.039 4.159 4.120 0.001 0.000 0.296 365 V C 0.735 176.941 176.094 0.186 0.000 1.046 365 V CA -0.351 62.030 62.300 0.134 0.000 1.066 365 V CB 0.867 32.746 31.823 0.093 0.000 0.968 365 V HN 0.063 8.253 8.190 -0.000 0.000 0.483 366 N N 2.780 121.558 118.700 0.130 0.000 2.495 366 N HA 0.215 4.955 4.740 0.001 0.000 0.280 366 N C 0.651 176.216 175.510 0.092 0.000 1.168 366 N CA -0.488 52.641 53.050 0.131 0.000 0.978 366 N CB 1.368 39.906 38.487 0.084 0.000 1.191 366 N HN 0.629 9.009 8.380 -0.000 0.000 0.497 367 D N 0.508 120.965 120.400 0.095 0.000 2.123 367 D HA -0.183 4.457 4.640 0.001 0.000 0.196 367 D C 1.472 177.797 176.300 0.043 0.000 0.992 367 D CA 1.315 55.348 54.000 0.056 0.000 0.833 367 D CB 0.251 41.086 40.800 0.059 0.000 0.954 367 D HN 0.677 9.047 8.370 -0.000 0.000 0.455 368 E N 0.368 120.595 120.200 0.046 0.000 2.077 368 E HA -0.263 4.087 4.350 0.001 0.000 0.193 368 E C 1.935 178.559 176.600 0.039 0.000 0.989 368 E CA 1.020 57.442 56.400 0.038 0.000 0.800 368 E CB 0.059 29.780 29.700 0.036 0.000 0.746 368 E HN 0.346 8.706 8.360 -0.000 0.000 0.452 369 Q N -0.055 119.773 119.800 0.046 0.000 2.084 369 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 369 Q C 2.290 178.315 176.000 0.043 0.000 0.978 369 Q CA 1.269 57.101 55.803 0.048 0.000 0.844 369 Q CB -0.013 28.760 28.738 0.058 0.000 0.898 369 Q HN 0.392 8.662 8.270 -0.000 0.000 0.426 370 I N 0.668 121.260 120.570 0.036 0.000 2.179 370 I HA -0.247 3.923 4.170 0.001 0.000 0.242 370 I C 2.365 178.496 176.117 0.023 0.000 1.088 370 I CA 1.400 62.715 61.300 0.024 0.000 1.357 370 I CB -1.492 36.512 38.000 0.008 0.000 1.051 370 I HN 0.150 8.360 8.210 -0.000 0.000 0.409 371 A N 0.750 123.584 122.820 0.024 0.000 1.940 371 A HA -0.274 4.047 4.320 0.001 0.000 0.219 371 A C 2.324 179.925 177.584 0.028 0.000 1.176 371 A CA 2.174 54.225 52.037 0.023 0.000 0.631 371 A CB -0.519 18.495 19.000 0.023 0.000 0.814 371 A HN 0.308 8.458 8.150 -0.000 0.000 0.446 372 K N 0.356 120.775 120.400 0.033 0.000 2.057 372 K HA -0.044 4.276 4.320 0.001 0.000 0.207 372 K C 1.547 178.172 176.600 0.042 0.000 1.049 372 K CA 1.687 57.996 56.287 0.037 0.000 0.931 372 K CB -0.622 31.902 32.500 0.039 0.000 0.714 372 K HN 0.513 8.763 8.250 -0.000 0.000 0.440 373 I N 0.301 120.896 120.570 0.041 0.000 2.179 373 I HA -0.273 3.897 4.170 0.001 0.000 0.242 373 I C 2.151 178.291 176.117 0.038 0.000 1.088 373 I CA 1.306 62.632 61.300 0.043 0.000 1.357 373 I CB -0.272 37.751 38.000 0.038 0.000 1.051 373 I HN 0.103 8.313 8.210 -0.000 0.000 0.409 374 I N 0.478 121.064 120.570 0.027 0.000 2.226 374 I HA -0.310 3.861 4.170 0.001 0.000 0.245 374 I C 2.661 178.800 176.117 0.037 0.000 1.100 374 I CA 1.572 62.884 61.300 0.019 0.000 1.374 374 I CB -0.489 37.518 38.000 0.011 0.000 1.057 374 I HN 0.323 8.533 8.210 -0.000 0.000 0.413 375 E N 1.099 121.325 120.200 0.043 0.000 2.058 375 E HA -0.211 4.139 4.350 0.001 0.000 0.194 375 E C 2.323 178.974 176.600 0.085 0.000 0.997 375 E CA 1.792 58.225 56.400 0.055 0.000 0.801 375 E CB 0.091 29.819 29.700 0.047 0.000 0.746 375 E HN 0.273 8.633 8.360 -0.000 0.000 0.450 376 V N 0.586 120.555 119.914 0.092 0.000 2.343 376 V HA -0.324 3.797 4.120 0.001 0.000 0.247 376 V C 2.560 178.791 176.094 0.230 0.000 1.051 376 V CA 1.725 64.114 62.300 0.147 0.000 1.036 376 V CB -0.458 31.427 31.823 0.104 0.000 0.654 376 V HN 0.546 8.736 8.190 -0.000 0.000 0.451 377 C N -0.875 118.517 119.300 0.152 0.000 2.440 377 C HA -0.107 4.354 4.460 0.001 0.000 0.278 377 C C 3.247 178.312 174.990 0.125 0.000 1.295 377 C CA 1.287 60.389 59.018 0.140 0.000 1.738 377 C CB -0.883 26.856 27.740 -0.001 0.000 1.987 377 C HN 0.645 8.875 8.230 -0.000 0.000 0.492 378 S N 0.940 116.694 115.700 0.091 0.000 2.359 378 S HA -0.201 4.269 4.470 0.001 0.000 0.224 378 S C 1.525 176.190 174.600 0.107 0.000 1.035 378 S CA 2.050 60.297 58.200 0.079 0.000 1.018 378 S CB -0.415 62.821 63.200 0.060 0.000 0.876 378 S HN 0.561 8.871 8.310 -0.000 0.000 0.448 379 D N 1.252 121.739 120.400 0.145 0.000 2.144 379 D HA -0.007 4.633 4.640 0.001 0.000 0.199 379 D C 2.227 178.604 176.300 0.129 0.000 0.984 379 D CA 1.241 55.345 54.000 0.173 0.000 0.834 379 D CB -0.678 40.267 40.800 0.243 0.000 0.955 379 D HN 0.494 8.864 8.370 -0.000 0.000 0.465 380 A N 0.689 123.585 122.820 0.126 0.000 1.908 380 A HA -0.159 4.162 4.320 0.001 0.000 0.218 380 A C 2.528 180.099 177.584 -0.022 0.000 1.181 380 A CA 1.305 53.262 52.037 -0.132 0.000 0.627 380 A CB -0.801 18.365 19.000 0.277 0.000 0.818 380 A HN 0.157 8.307 8.150 -0.000 0.000 0.445 381 V N 1.035 121.046 119.914 0.162 0.000 2.490 381 V HA -0.222 3.899 4.120 0.001 0.000 0.250 381 V C 1.835 177.939 176.094 0.016 0.000 1.061 381 V CA 2.051 64.440 62.300 0.149 0.000 1.064 381 V CB -0.854 31.060 31.823 0.152 0.000 0.670 381 V HN 0.582 8.772 8.190 -0.000 0.000 0.461 382 N N -1.444 117.263 118.700 0.012 0.000 2.422 382 N HA -0.043 4.697 4.740 0.001 0.000 0.181 382 N C 1.546 177.038 175.510 -0.029 0.000 1.080 382 N CA 0.446 53.496 53.050 0.001 0.000 0.893 382 N CB -0.192 38.320 38.487 0.041 0.000 0.973 382 N HN 0.562 8.942 8.380 -0.000 0.000 0.456 383 Y N 1.300 121.449 120.300 -0.253 0.000 2.200 383 Y HA -0.010 4.540 4.550 0.001 0.000 0.290 383 Y C 1.658 177.371 175.900 -0.311 0.000 1.137 383 Y CA 1.684 59.609 58.100 -0.293 0.000 1.163 383 Y CB -0.343 37.824 38.460 -0.488 0.000 0.988 383 Y HN 0.214 8.493 8.280 -0.000 0.000 0.518 384 G N -0.261 108.265 108.800 -0.457 0.000 2.141 384 G HA2 -0.329 3.632 3.960 0.001 0.000 0.242 384 G HA3 -0.329 3.632 3.960 0.001 0.000 0.242 384 G C 0.745 175.373 174.900 -0.454 0.000 0.982 384 G CA 0.632 45.483 45.100 -0.416 0.000 0.662 384 G HN 0.481 8.771 8.290 -0.000 0.000 0.527 385 D N -0.642 119.395 120.400 -0.605 0.000 2.346 385 D HA 0.390 5.031 4.640 0.001 0.000 0.206 385 D C 0.791 177.025 176.300 -0.110 0.000 1.001 385 D CA 1.307 55.142 54.000 -0.275 0.000 0.871 385 D CB 0.118 40.995 40.800 0.129 0.000 0.943 385 D HN 0.710 9.080 8.370 -0.000 0.000 0.518 386 F N -1.774 118.118 119.950 -0.097 0.000 2.926 386 F HA 0.430 4.957 4.527 0.001 0.000 0.321 386 F C -1.480 174.211 175.800 -0.182 0.000 1.168 386 F CA -1.803 56.078 58.000 -0.198 0.000 0.890 386 F CB 0.349 39.141 39.000 -0.348 0.000 1.357 386 F HN -0.195 8.105 8.300 -0.000 0.000 0.468 387 Y N -0.556 119.774 120.300 0.050 0.000 2.633 387 Y HA 0.887 5.438 4.550 0.001 0.000 0.339 387 Y C -1.927 173.875 175.900 -0.164 0.000 1.045 387 Y CA -2.392 55.690 58.100 -0.029 0.000 1.098 387 Y CB 1.379 39.841 38.460 0.003 0.000 1.296 387 Y HN 0.529 8.809 8.280 -0.000 0.000 0.494 388 F N 0.574 120.715 119.950 0.318 0.000 2.561 388 F HA 0.712 5.240 4.527 0.001 0.000 0.321 388 F C 0.307 176.279 175.800 0.286 0.000 1.065 388 F CA -1.045 57.086 58.000 0.217 0.000 0.934 388 F CB 2.144 41.225 39.000 0.134 0.000 1.215 388 F HN 0.423 8.723 8.300 -0.000 0.000 0.471 389 R N 0.000 120.757 120.500 0.428 0.000 2.786 389 R HA 0.000 4.340 4.340 0.001 0.000 0.208 389 R CA 0.000 56.264 56.100 0.273 0.000 0.921 389 R CB 0.000 30.436 30.300 0.226 0.000 0.687 389 R HN 0.000 8.270 8.270 -0.000 0.000 0.535