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 3m9s_1_A DATA FIRST_RESID 2 DATA SEQUENCE TGPILSGLDP RFERTLYAHV GKEGSWTLDY YLRHGGYETA KRVLKEKTPD DATA SEQUENCE EVIEEVKRSG LRGRGGAGFP TGLKWSFMPK DDGKQHYLIC NADESEPGSF DATA SEQUENCE KDRYILEDVP HLLIEGMILA GYAIRATVGY IYVRGEYRRA ADRLEQAIKE DATA SEQUENCE ARARGYLGKN LFGTDFSFDL HVHRGAGAYI CGEETALMNS LEGLRANPRL DATA SEQUENCE KPPFPAQSGL WGKPTTINNV ETLASVVPIM ERGADWFAQM GTEQSKGMKL DATA SEQUENCE YQISGPVKRP GVYELPMGTT FRELIYEWAG GPLEPIQAII PGGSSTPPLP DATA SEQUENCE FTEEVLDTPM SYEHLQAKGS MLGTGGVILI PERVSMVDAM WNLTRFYAHE DATA SEQUENCE SCGKCTPCRE GVAGFMVNLF AKIGTGQGEE KDVENLEALL PLIEGRSFCP DATA SEQUENCE LADAAVWPVK GSLRHFKDQY LALAREKRPV PRPSLWR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 4.350 4.350 0.000 0.000 0.228 2 T C 0.000 174.701 174.700 0.002 0.000 1.109 2 T CA 0.000 62.103 62.100 0.005 0.000 1.349 2 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 3 G N 0.628 109.426 108.800 -0.004 0.000 2.735 3 G HA2 0.493 4.452 3.960 -0.001 0.000 0.204 3 G HA3 0.493 4.452 3.960 -0.001 0.000 0.204 3 G C -1.048 173.847 174.900 -0.008 0.000 1.218 3 G CA 0.601 45.698 45.100 -0.005 0.000 0.612 3 G HN 0.584 8.874 8.290 0.000 0.000 0.913 4 P HA 0.508 4.928 4.420 0.000 0.000 0.179 4 P C -0.194 177.087 177.300 -0.032 0.000 0.855 4 P CA -0.040 63.048 63.100 -0.021 0.000 0.988 4 P CB 1.059 32.746 31.700 -0.022 0.000 0.777 5 I N -0.052 120.493 120.570 -0.042 0.000 2.846 5 I HA 0.328 4.498 4.170 -0.001 0.000 0.307 5 I C -0.492 175.580 176.117 -0.075 0.000 1.053 5 I CA -1.116 60.146 61.300 -0.063 0.000 1.050 5 I CB 2.413 40.373 38.000 -0.067 0.000 1.239 5 I HN -0.157 8.053 8.210 0.000 0.000 0.439 6 L N 3.583 124.744 121.223 -0.104 0.000 2.255 6 L HA 0.396 4.735 4.340 -0.001 0.000 0.289 6 L C -0.200 176.572 176.870 -0.162 0.000 1.046 6 L CA 0.147 54.917 54.840 -0.116 0.000 0.816 6 L CB 0.954 42.941 42.059 -0.120 0.000 1.197 6 L HN 0.618 8.848 8.230 0.000 0.000 0.427 7 S N 1.883 117.493 115.700 -0.150 0.000 2.828 7 S HA 0.580 5.050 4.470 -0.001 0.000 0.240 7 S C 0.225 174.726 174.600 -0.164 0.000 0.912 7 S CA -0.207 57.889 58.200 -0.173 0.000 1.100 7 S CB 1.199 64.312 63.200 -0.145 0.000 1.271 7 S HN 0.903 9.213 8.310 0.000 0.000 0.476 8 G N 1.010 109.704 108.800 -0.176 0.000 2.512 8 G HA2 0.353 4.313 3.960 -0.001 0.000 0.186 8 G HA3 0.353 4.313 3.960 -0.001 0.000 0.186 8 G C -0.943 173.926 174.900 -0.051 0.000 1.189 8 G CA -0.731 44.299 45.100 -0.117 0.000 0.994 8 G HN 0.285 8.575 8.290 0.000 0.000 0.506 9 L N 2.030 123.277 121.223 0.040 0.000 2.747 9 L HA 0.335 4.674 4.340 -0.001 0.000 0.248 9 L C 0.522 177.455 176.870 0.104 0.000 1.191 9 L CA -0.280 54.642 54.840 0.137 0.000 1.003 9 L CB -1.262 40.806 42.059 0.015 0.000 1.235 9 L HN 0.411 8.641 8.230 0.000 0.000 0.426 10 D N 0.980 121.423 120.400 0.072 0.000 2.383 10 D HA -0.033 4.607 4.640 -0.001 0.000 0.233 10 D C -1.539 174.843 176.300 0.135 0.000 1.233 10 D CA -0.148 53.897 54.000 0.076 0.000 0.881 10 D CB 1.103 41.940 40.800 0.063 0.000 1.212 10 D HN 0.241 8.611 8.370 0.000 0.000 0.467 11 P HA 0.111 4.531 4.420 0.000 0.000 0.267 11 P C 0.422 177.789 177.300 0.111 0.000 1.289 11 P CA 0.241 63.406 63.100 0.107 0.000 0.866 11 P CB 0.320 32.061 31.700 0.068 0.000 1.309 12 R N -1.761 118.811 120.500 0.120 0.000 2.397 12 R HA 0.285 4.625 4.340 -0.001 0.000 0.241 12 R C 0.403 176.800 176.300 0.162 0.000 0.914 12 R CA -0.456 55.712 56.100 0.113 0.000 1.071 12 R CB -0.579 29.767 30.300 0.078 0.000 1.116 12 R HN 0.011 8.281 8.270 0.000 0.000 0.524 13 F N 2.902 122.873 119.950 0.034 0.000 2.429 13 F HA 0.258 4.785 4.527 -0.001 0.000 0.348 13 F C -0.343 175.513 175.800 0.092 0.000 1.109 13 F CA -0.819 57.199 58.000 0.030 0.000 1.232 13 F CB 0.872 39.879 39.000 0.012 0.000 1.157 13 F HN -0.056 8.244 8.300 0.000 0.000 0.564 14 E N 5.554 125.344 120.200 -0.684 0.000 2.191 14 E HA 0.286 4.636 4.350 -0.001 0.000 0.263 14 E C -0.824 175.308 176.600 -0.781 0.000 0.881 14 E CA -1.078 55.015 56.400 -0.512 0.000 0.757 14 E CB 1.185 30.900 29.700 0.026 0.000 1.147 14 E HN 0.435 8.796 8.360 0.000 0.000 0.414 15 R N 2.067 122.220 120.500 -0.577 0.000 2.449 15 R HA 0.127 4.466 4.340 -0.001 0.000 0.296 15 R C 0.206 176.445 176.300 -0.101 0.000 1.047 15 R CA 0.245 56.175 56.100 -0.284 0.000 1.018 15 R CB 0.492 30.716 30.300 -0.126 0.000 0.962 15 R HN 0.583 8.853 8.270 0.000 0.000 0.428 16 T N 1.475 116.042 114.554 0.021 0.000 3.174 16 T HA 0.141 4.491 4.350 -0.001 0.000 0.252 16 T C 1.877 176.623 174.700 0.077 0.000 0.984 16 T CA -0.040 62.096 62.100 0.061 0.000 1.113 16 T CB 0.153 69.141 68.868 0.200 0.000 1.088 16 T HN 0.270 8.510 8.240 0.000 0.000 0.442 17 L N -0.099 121.218 121.223 0.156 0.000 1.995 17 L HA 0.119 4.458 4.340 -0.001 0.000 0.206 17 L C 1.784 178.776 176.870 0.202 0.000 1.098 17 L CA 1.277 56.236 54.840 0.198 0.000 0.762 17 L CB -0.606 41.610 42.059 0.262 0.000 0.900 17 L HN 0.184 8.414 8.230 0.000 0.000 0.441 18 Y N 1.005 121.322 120.300 0.028 0.000 2.572 18 Y HA -0.024 4.526 4.550 -0.000 0.000 0.340 18 Y C 2.005 177.881 175.900 -0.040 0.000 1.224 18 Y CA -0.013 58.091 58.100 0.006 0.000 1.260 18 Y CB -1.230 37.225 38.460 -0.010 0.000 1.078 18 Y HN 0.168 8.448 8.280 0.000 0.000 0.491 19 A N -0.299 122.515 122.820 -0.010 0.000 1.859 19 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 19 A C 1.536 178.999 177.584 -0.201 0.000 1.198 19 A CA 2.244 54.167 52.037 -0.189 0.000 0.629 19 A CB -0.731 18.014 19.000 -0.426 0.000 0.830 19 A HN 0.659 8.809 8.150 0.000 0.000 0.446 20 H N -1.948 117.151 119.070 0.047 0.000 2.551 20 H HA 0.378 4.933 4.556 -0.001 0.000 0.271 20 H C -0.011 175.277 175.328 -0.067 0.000 0.984 20 H CA -0.360 55.696 56.048 0.013 0.000 1.164 20 H CB 0.200 29.990 29.762 0.047 0.000 1.437 20 H HN 0.203 8.483 8.280 0.000 0.000 0.550 21 V N 1.217 121.117 119.914 -0.023 0.000 2.694 21 V HA 0.040 4.160 4.120 -0.001 0.000 0.306 21 V C 1.545 177.605 176.094 -0.057 0.000 1.054 21 V CA 1.692 63.921 62.300 -0.118 0.000 1.161 21 V CB 0.551 32.134 31.823 -0.400 0.000 0.916 21 V HN 0.876 9.066 8.190 0.000 0.000 0.490 22 G N 3.931 112.707 108.800 -0.040 0.000 2.253 22 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.251 22 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.251 22 G C 0.270 175.175 174.900 0.007 0.000 0.998 22 G CA -0.044 45.047 45.100 -0.016 0.000 0.621 22 G HN 0.563 8.853 8.290 0.000 0.000 0.524 23 K N 1.682 122.076 120.400 -0.010 0.000 2.339 23 K HA 0.275 4.595 4.320 -0.001 0.000 0.286 23 K C 0.549 177.061 176.600 -0.148 0.000 1.050 23 K CA -0.409 55.854 56.287 -0.040 0.000 0.956 23 K CB 1.086 33.581 32.500 -0.008 0.000 0.990 23 K HN 0.607 8.857 8.250 0.000 0.000 0.475 24 E N 0.787 120.932 120.200 -0.091 0.000 2.694 24 E HA -0.054 4.296 4.350 -0.001 0.000 0.250 24 E C 0.599 176.968 176.600 -0.385 0.000 0.963 24 E CA 0.857 57.179 56.400 -0.129 0.000 0.949 24 E CB -0.068 29.604 29.700 -0.047 0.000 0.911 24 E HN 0.777 9.137 8.360 0.000 0.000 0.500 25 G N 3.326 111.692 108.800 -0.722 0.000 2.147 25 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.244 25 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.244 25 G C 0.790 174.825 174.900 -1.442 0.000 1.005 25 G CA 0.680 44.983 45.100 -1.329 0.000 0.713 25 G HN 0.725 9.015 8.290 0.000 0.000 0.515 26 S N -1.396 113.576 115.700 -1.213 0.000 2.488 26 S HA -0.111 4.359 4.470 -0.001 0.000 0.246 26 S C 1.605 175.928 174.600 -0.462 0.000 0.992 26 S CA 1.774 59.298 58.200 -1.127 0.000 0.963 26 S CB -0.631 62.275 63.200 -0.491 0.000 0.754 26 S HN 1.518 9.828 8.310 0.000 0.000 0.519 27 W N 1.126 122.340 121.300 -0.143 0.000 3.132 27 W HA 0.514 5.174 4.660 -0.001 0.000 0.364 27 W C -0.531 176.075 176.519 0.145 0.000 1.129 27 W CA -0.780 56.579 57.345 0.024 0.000 1.815 27 W CB -1.020 28.428 29.460 -0.020 0.000 1.099 27 W HN -0.181 7.999 8.180 0.000 0.000 0.605 28 T N 2.509 116.951 114.554 -0.187 0.000 2.919 28 T HA 0.010 4.360 4.350 -0.001 0.000 0.302 28 T C 1.269 176.063 174.700 0.157 0.000 1.031 28 T CA -0.404 61.712 62.100 0.028 0.000 1.127 28 T CB 1.856 70.674 68.868 -0.083 0.000 0.952 28 T HN 0.208 8.448 8.240 0.000 0.000 0.540 29 L N 1.472 122.777 121.223 0.136 0.000 2.450 29 L HA -0.131 4.208 4.340 -0.001 0.000 0.224 29 L C 1.163 178.037 176.870 0.006 0.000 1.149 29 L CA 1.566 56.334 54.840 -0.120 0.000 0.816 29 L CB -0.300 41.696 42.059 -0.106 0.000 0.932 29 L HN 0.694 8.924 8.230 0.000 0.000 0.449 30 D N -1.486 118.949 120.400 0.058 0.000 2.120 30 D HA -0.207 4.433 4.640 -0.001 0.000 0.202 30 D C 1.768 178.107 176.300 0.066 0.000 0.972 30 D CA 1.025 55.056 54.000 0.051 0.000 0.837 30 D CB -0.142 40.681 40.800 0.038 0.000 0.989 30 D HN 0.237 8.607 8.370 0.000 0.000 0.469 31 Y N 0.118 120.391 120.300 -0.046 0.000 2.053 31 Y HA -0.385 4.165 4.550 -0.001 0.000 0.277 31 Y C 2.215 178.100 175.900 -0.025 0.000 1.159 31 Y CA 1.695 59.748 58.100 -0.078 0.000 1.125 31 Y CB -0.431 37.897 38.460 -0.221 0.000 0.969 31 Y HN 0.030 8.310 8.280 0.000 0.000 0.492 32 Y N 0.249 120.611 120.300 0.104 0.000 2.193 32 Y HA -0.314 4.236 4.550 -0.001 0.000 0.285 32 Y C 2.118 178.006 175.900 -0.020 0.000 1.166 32 Y CA 1.854 59.970 58.100 0.028 0.000 1.181 32 Y CB -0.459 37.993 38.460 -0.013 0.000 0.976 32 Y HN 0.183 8.463 8.280 0.000 0.000 0.520 33 L N -0.940 120.288 121.223 0.009 0.000 2.072 33 L HA -0.180 4.160 4.340 -0.001 0.000 0.205 33 L C 2.466 179.283 176.870 -0.088 0.000 1.079 33 L CA 1.301 56.116 54.840 -0.042 0.000 0.752 33 L CB -0.470 41.603 42.059 0.024 0.000 0.906 33 L HN 0.057 8.287 8.230 0.000 0.000 0.436 34 R N -0.758 119.697 120.500 -0.075 0.000 2.193 34 R HA -0.139 4.201 4.340 -0.001 0.000 0.229 34 R C 0.585 176.688 176.300 -0.328 0.000 1.110 34 R CA 0.877 56.873 56.100 -0.172 0.000 0.988 34 R CB -0.137 30.042 30.300 -0.201 0.000 0.871 34 R HN 0.408 8.678 8.270 0.000 0.000 0.458 35 H N -1.123 117.735 119.070 -0.353 0.000 2.539 35 H HA 0.291 4.846 4.556 -0.001 0.000 0.293 35 H C 0.141 175.295 175.328 -0.290 0.000 1.156 35 H CA -0.010 55.849 56.048 -0.315 0.000 1.012 35 H CB 0.519 30.056 29.762 -0.376 0.000 1.600 35 H HN 0.261 8.541 8.280 0.000 0.000 0.538 36 G N 0.774 109.463 108.800 -0.185 0.000 2.370 36 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.295 36 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.295 36 G C 1.113 175.831 174.900 -0.303 0.000 1.045 36 G CA 0.140 45.126 45.100 -0.189 0.000 1.199 36 G HN 0.736 9.026 8.290 0.000 0.000 0.513 37 G N 0.534 109.141 108.800 -0.323 0.000 2.480 37 G HA2 0.008 3.968 3.960 -0.001 0.000 0.169 37 G HA3 0.008 3.968 3.960 -0.001 0.000 0.169 37 G C 0.868 175.639 174.900 -0.216 0.000 1.566 37 G CA 0.805 45.613 45.100 -0.486 0.000 0.887 37 G HN 0.598 8.888 8.290 0.000 0.000 0.423 38 Y N 1.251 121.554 120.300 0.006 0.000 2.685 38 Y HA 0.235 4.784 4.550 -0.000 0.000 0.365 38 Y C 2.082 178.006 175.900 0.040 0.000 1.113 38 Y CA 0.116 58.298 58.100 0.138 0.000 1.470 38 Y CB -0.117 38.484 38.460 0.235 0.000 1.361 38 Y HN 0.351 8.631 8.280 0.000 0.000 0.490 39 E N 0.052 120.278 120.200 0.043 0.000 2.051 39 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 39 E C 2.064 178.617 176.600 -0.078 0.000 0.991 39 E CA 1.965 58.343 56.400 -0.037 0.000 0.799 39 E CB -0.087 29.571 29.700 -0.069 0.000 0.748 39 E HN 0.365 8.725 8.360 0.000 0.000 0.449 40 T N 0.128 114.649 114.554 -0.056 0.000 2.777 40 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 40 T C 1.862 176.527 174.700 -0.059 0.000 1.040 40 T CA 1.387 63.453 62.100 -0.056 0.000 1.141 40 T CB -0.437 68.412 68.868 -0.032 0.000 0.868 40 T HN 0.286 8.526 8.240 0.000 0.000 0.444 41 A N 1.750 124.568 122.820 -0.003 0.000 1.933 41 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 41 A C 2.226 179.678 177.584 -0.220 0.000 1.175 41 A CA 1.964 54.025 52.037 0.038 0.000 0.628 41 A CB -0.545 18.653 19.000 0.330 0.000 0.814 41 A HN 0.520 8.670 8.150 0.000 0.000 0.444 42 K N -0.494 119.555 120.400 -0.585 0.000 1.985 42 K HA -0.169 4.151 4.320 -0.001 0.000 0.210 42 K C 2.270 178.585 176.600 -0.475 0.000 1.047 42 K CA 1.171 56.803 56.287 -1.091 0.000 0.932 42 K CB -0.316 31.607 32.500 -0.962 0.000 0.716 42 K HN 0.373 8.623 8.250 0.000 0.000 0.439 43 R N 0.331 120.659 120.500 -0.286 0.000 2.223 43 R HA -0.213 4.127 4.340 -0.001 0.000 0.229 43 R C 2.277 178.492 176.300 -0.142 0.000 1.105 43 R CA 2.519 58.520 56.100 -0.165 0.000 0.880 43 R CB -1.133 29.100 30.300 -0.112 0.000 0.853 43 R HN 0.163 8.433 8.270 0.000 0.000 0.429 44 V N 1.430 121.275 119.914 -0.115 0.000 2.363 44 V HA -0.285 3.835 4.120 -0.001 0.000 0.254 44 V C 2.346 178.356 176.094 -0.139 0.000 1.074 44 V CA 1.955 64.212 62.300 -0.071 0.000 1.069 44 V CB -0.590 31.216 31.823 -0.028 0.000 0.659 44 V HN 0.341 8.531 8.190 0.000 0.000 0.455 45 L N -0.822 120.239 121.223 -0.270 0.000 2.240 45 L HA -0.072 4.268 4.340 -0.001 0.000 0.211 45 L C 2.484 179.224 176.870 -0.216 0.000 1.106 45 L CA 1.304 55.868 54.840 -0.459 0.000 0.793 45 L CB -0.334 41.523 42.059 -0.338 0.000 0.927 45 L HN 0.350 8.580 8.230 0.000 0.000 0.446 46 K N -0.611 119.721 120.400 -0.114 0.000 2.211 46 K HA 0.028 4.348 4.320 -0.001 0.000 0.201 46 K C 1.376 177.968 176.600 -0.014 0.000 1.052 46 K CA 0.606 56.867 56.287 -0.042 0.000 0.973 46 K CB 0.211 32.686 32.500 -0.041 0.000 0.766 46 K HN 0.323 8.573 8.250 0.000 0.000 0.466 47 E N 1.296 121.483 120.200 -0.020 0.000 2.068 47 E HA 0.051 4.401 4.350 -0.001 0.000 0.201 47 E C -0.077 176.544 176.600 0.035 0.000 0.947 47 E CA -0.058 56.344 56.400 0.003 0.000 0.909 47 E CB 0.193 29.885 29.700 -0.013 0.000 1.015 47 E HN -0.122 8.238 8.360 0.000 0.000 0.484 48 K N 2.427 122.855 120.400 0.047 0.000 2.412 48 K HA 0.039 4.358 4.320 -0.001 0.000 0.281 48 K C 0.158 176.845 176.600 0.145 0.000 1.027 48 K CA 0.097 56.431 56.287 0.077 0.000 0.989 48 K CB 0.795 33.338 32.500 0.072 0.000 0.935 48 K HN 0.236 8.486 8.250 0.000 0.000 0.475 49 T N 0.847 115.455 114.554 0.091 0.000 2.698 49 T HA 0.152 4.501 4.350 -0.001 0.000 0.295 49 T C -1.542 173.114 174.700 -0.073 0.000 1.007 49 T CA -1.357 60.780 62.100 0.062 0.000 0.980 49 T CB 0.494 69.369 68.868 0.012 0.000 1.036 49 T HN 0.269 8.509 8.240 0.000 0.000 0.526 50 P HA -0.017 4.403 4.420 0.000 0.000 0.214 50 P C 1.323 178.498 177.300 -0.208 0.000 1.162 50 P CA 1.020 63.804 63.100 -0.527 0.000 0.879 50 P CB -0.065 31.312 31.700 -0.540 0.000 0.786 51 D N -0.244 120.086 120.400 -0.117 0.000 2.190 51 D HA -0.187 4.453 4.640 -0.001 0.000 0.200 51 D C 1.768 178.059 176.300 -0.015 0.000 0.992 51 D CA 1.134 55.107 54.000 -0.045 0.000 0.854 51 D CB -0.286 40.498 40.800 -0.027 0.000 0.936 51 D HN 0.381 8.751 8.370 0.000 0.000 0.462 52 E N 0.152 120.345 120.200 -0.012 0.000 2.208 52 E HA -0.072 4.278 4.350 -0.001 0.000 0.193 52 E C 1.975 178.595 176.600 0.033 0.000 0.988 52 E CA 0.126 56.535 56.400 0.014 0.000 0.828 52 E CB 0.278 29.991 29.700 0.022 0.000 0.763 52 E HN 0.027 8.387 8.360 0.000 0.000 0.478 53 V N 0.813 120.749 119.914 0.036 0.000 3.461 53 V HA -0.036 4.084 4.120 -0.001 0.000 0.267 53 V C 1.507 177.688 176.094 0.145 0.000 1.186 53 V CA 0.646 62.997 62.300 0.086 0.000 1.154 53 V CB -0.128 31.759 31.823 0.105 0.000 0.802 53 V HN 0.208 8.398 8.190 0.000 0.000 0.474 54 I N -0.844 119.796 120.570 0.118 0.000 2.494 54 I HA 0.026 4.196 4.170 -0.001 0.000 0.250 54 I C 2.391 178.540 176.117 0.053 0.000 1.112 54 I CA 0.520 61.920 61.300 0.167 0.000 1.438 54 I CB -0.201 37.887 38.000 0.147 0.000 1.111 54 I HN 0.195 8.405 8.210 0.000 0.000 0.431 55 E N 0.841 121.057 120.200 0.026 0.000 2.204 55 E HA -0.256 4.094 4.350 -0.001 0.000 0.194 55 E C 1.787 178.383 176.600 -0.006 0.000 0.989 55 E CA 1.032 57.431 56.400 -0.001 0.000 0.824 55 E CB -0.074 29.627 29.700 0.002 0.000 0.756 55 E HN 0.410 8.770 8.360 0.000 0.000 0.477 56 E N 0.079 120.285 120.200 0.010 0.000 2.418 56 E HA -0.066 4.284 4.350 -0.001 0.000 0.197 56 E C 1.502 178.081 176.600 -0.035 0.000 1.026 56 E CA 0.357 56.760 56.400 0.006 0.000 0.862 56 E CB 0.295 30.011 29.700 0.027 0.000 0.799 56 E HN -0.010 8.350 8.360 0.000 0.000 0.518 57 V N -0.227 119.645 119.914 -0.069 0.000 3.263 57 V HA 0.059 4.179 4.120 -0.001 0.000 0.248 57 V C 2.083 178.062 176.094 -0.191 0.000 1.145 57 V CA 0.744 62.932 62.300 -0.187 0.000 1.107 57 V CB -0.045 31.583 31.823 -0.324 0.000 0.797 57 V HN 0.128 8.318 8.190 0.000 0.000 0.467 58 K N 0.796 121.117 120.400 -0.131 0.000 2.057 58 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 58 K C 2.338 178.895 176.600 -0.071 0.000 1.049 58 K CA 1.434 57.653 56.287 -0.113 0.000 0.931 58 K CB -0.014 32.435 32.500 -0.085 0.000 0.714 58 K HN 0.334 8.584 8.250 0.000 0.000 0.440 59 R N 0.028 120.503 120.500 -0.041 0.000 2.153 59 R HA -0.042 4.298 4.340 -0.001 0.000 0.218 59 R C 2.449 178.766 176.300 0.030 0.000 1.072 59 R CA 1.241 57.338 56.100 -0.005 0.000 0.990 59 R CB -0.083 30.222 30.300 0.009 0.000 0.889 59 R HN 0.293 8.563 8.270 0.000 0.000 0.452 60 S N -0.190 115.517 115.700 0.011 0.000 2.402 60 S HA -0.044 4.425 4.470 -0.001 0.000 0.229 60 S C 1.558 176.297 174.600 0.232 0.000 1.021 60 S CA 0.874 59.131 58.200 0.095 0.000 0.974 60 S CB -0.154 62.927 63.200 -0.199 0.000 0.800 60 S HN 0.482 8.792 8.310 0.000 0.000 0.484 61 G N 0.590 109.438 108.800 0.079 0.000 2.171 61 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.238 61 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.238 61 G C -0.285 174.708 174.900 0.156 0.000 1.039 61 G CA 0.076 45.231 45.100 0.092 0.000 0.759 61 G HN 0.748 9.038 8.290 0.000 0.000 0.501 62 L N 1.052 122.302 121.223 0.044 0.000 2.369 62 L HA 0.641 4.980 4.340 -0.001 0.000 0.279 62 L C 0.747 177.622 176.870 0.008 0.000 1.108 62 L CA -0.278 54.579 54.840 0.029 0.000 0.852 62 L CB 0.182 42.091 42.059 -0.250 0.000 1.169 62 L HN 0.304 8.534 8.230 0.000 0.000 0.452 63 R N 3.441 124.008 120.500 0.112 0.000 2.532 63 R HA 0.560 4.899 4.340 -0.001 0.000 0.295 63 R C 0.054 176.474 176.300 0.200 0.000 0.968 63 R CA -0.579 55.617 56.100 0.160 0.000 0.916 63 R CB 1.256 31.753 30.300 0.328 0.000 1.124 63 R HN 0.900 9.170 8.270 0.000 0.000 0.463 64 G N 1.677 110.581 108.800 0.174 0.000 2.305 64 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.243 64 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.243 64 G C 0.458 175.462 174.900 0.174 0.000 1.288 64 G CA -0.317 44.879 45.100 0.160 0.000 0.901 64 G HN 0.474 8.764 8.290 0.000 0.000 0.516 65 R N 2.499 123.090 120.500 0.152 0.000 2.334 65 R HA 0.060 4.400 4.340 -0.001 0.000 0.216 65 R C 2.242 178.608 176.300 0.110 0.000 0.905 65 R CA 0.458 56.642 56.100 0.140 0.000 1.064 65 R CB 0.194 30.562 30.300 0.112 0.000 1.046 65 R HN 0.597 8.867 8.270 0.000 0.000 0.508 66 G N 0.199 109.064 108.800 0.108 0.000 2.509 66 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.218 66 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.218 66 G C 1.009 175.960 174.900 0.086 0.000 1.124 66 G CA 1.006 46.162 45.100 0.094 0.000 0.776 66 G HN 0.464 8.754 8.290 0.000 0.000 0.547 67 G N -0.995 107.849 108.800 0.073 0.000 2.380 67 G HA2 0.050 4.010 3.960 -0.001 0.000 0.197 67 G HA3 0.050 4.010 3.960 -0.001 0.000 0.197 67 G C 1.432 176.339 174.900 0.011 0.000 1.001 67 G CA 0.967 46.099 45.100 0.054 0.000 0.668 67 G HN 1.023 9.313 8.290 0.000 0.000 0.483 68 A N 0.286 123.129 122.820 0.039 0.000 1.883 68 A HA 0.366 4.686 4.320 -0.001 0.000 0.217 68 A C 3.166 180.745 177.584 -0.009 0.000 1.186 68 A CA 3.355 55.421 52.037 0.049 0.000 0.624 68 A CB -0.927 18.128 19.000 0.091 0.000 0.822 68 A HN 2.547 10.697 8.150 0.000 0.000 0.444 69 G N -2.728 106.041 108.800 -0.051 0.000 2.225 69 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.254 69 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.254 69 G C 0.254 175.175 174.900 0.035 0.000 0.988 69 G CA 0.274 45.264 45.100 -0.183 0.000 0.625 69 G HN 0.854 9.144 8.290 0.000 0.000 0.527 70 F N 3.012 122.955 119.950 -0.013 0.000 2.595 70 F HA 0.475 5.001 4.527 -0.000 0.000 0.359 70 F C -1.565 174.248 175.800 0.022 0.000 1.147 70 F CA -1.259 56.752 58.000 0.018 0.000 1.341 70 F CB 0.664 39.687 39.000 0.037 0.000 1.104 70 F HN -0.069 8.231 8.300 0.000 0.000 0.603 71 P HA -0.043 4.377 4.420 0.000 0.000 0.257 71 P C 0.488 177.753 177.300 -0.059 0.000 1.227 71 P CA 0.602 63.498 63.100 -0.339 0.000 0.981 71 P CB -0.015 31.325 31.700 -0.600 0.000 1.044 72 T N -0.254 114.253 114.554 -0.078 0.000 3.118 72 T HA 0.002 4.352 4.350 -0.001 0.000 0.260 72 T C 1.856 176.201 174.700 -0.592 0.000 1.139 72 T CA 1.087 63.054 62.100 -0.222 0.000 1.085 72 T CB -0.523 68.184 68.868 -0.267 0.000 0.934 72 T HN 0.293 8.533 8.240 0.000 0.000 0.518 73 G N 1.547 110.094 108.800 -0.422 0.000 2.408 73 G HA2 0.041 4.001 3.960 -0.001 0.000 0.213 73 G HA3 0.041 4.001 3.960 -0.001 0.000 0.213 73 G C 1.297 176.060 174.900 -0.228 0.000 1.177 73 G CA 0.558 45.426 45.100 -0.387 0.000 0.802 73 G HN 0.478 8.768 8.290 0.000 0.000 0.533 74 L N 0.788 121.897 121.223 -0.189 0.000 2.191 74 L HA 0.125 4.465 4.340 -0.001 0.000 0.212 74 L C 2.502 179.225 176.870 -0.244 0.000 1.103 74 L CA 2.003 56.709 54.840 -0.223 0.000 0.769 74 L CB -0.334 41.615 42.059 -0.184 0.000 0.908 74 L HN 0.224 8.454 8.230 0.000 0.000 0.438 75 K N -1.395 119.050 120.400 0.075 0.000 2.025 75 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 75 K C 1.849 178.603 176.600 0.256 0.000 1.049 75 K CA 1.635 58.062 56.287 0.233 0.000 0.933 75 K CB -0.308 32.348 32.500 0.259 0.000 0.714 75 K HN 0.384 8.634 8.250 0.000 0.000 0.438 76 W N 1.004 122.304 121.300 0.001 0.000 2.465 76 W HA -0.025 4.635 4.660 -0.000 0.000 0.268 76 W C 2.265 178.742 176.519 -0.070 0.000 1.242 76 W CA 0.986 58.324 57.345 -0.011 0.000 1.248 76 W CB -1.103 28.349 29.460 -0.013 0.000 1.118 76 W HN 0.226 8.406 8.180 0.000 0.000 0.587 77 S N -0.678 115.024 115.700 0.005 0.000 2.555 77 S HA -0.118 4.351 4.470 -0.001 0.000 0.230 77 S C 1.463 175.967 174.600 -0.160 0.000 0.978 77 S CA 0.657 58.770 58.200 -0.144 0.000 0.934 77 S CB -0.762 62.253 63.200 -0.309 0.000 0.766 77 S HN 0.034 8.344 8.310 0.000 0.000 0.533 78 F N 1.127 121.121 119.950 0.074 0.000 2.714 78 F HA 0.481 5.007 4.527 -0.001 0.000 0.294 78 F C 1.243 177.045 175.800 0.003 0.000 1.120 78 F CA -0.553 57.457 58.000 0.016 0.000 1.398 78 F CB -0.362 38.618 39.000 -0.033 0.000 1.120 78 F HN 0.163 8.463 8.300 0.000 0.000 0.589 79 M N 1.746 121.447 119.600 0.168 0.000 2.250 79 M HA 0.082 4.561 4.480 -0.001 0.000 0.337 79 M C -2.092 174.221 176.300 0.021 0.000 1.161 79 M CA -1.840 53.484 55.300 0.040 0.000 1.088 79 M CB -0.638 31.953 32.600 -0.016 0.000 1.639 79 M HN -0.231 8.059 8.290 0.000 0.000 0.447 80 P HA -0.017 4.403 4.420 0.000 0.000 0.261 80 P C 0.393 177.748 177.300 0.091 0.000 1.183 80 P CA 0.142 63.258 63.100 0.027 0.000 0.761 80 P CB 0.445 32.150 31.700 0.009 0.000 0.785 81 K N 2.312 122.765 120.400 0.089 0.000 1.975 81 K HA -0.056 4.263 4.320 -0.001 0.000 0.224 81 K C 0.246 176.917 176.600 0.118 0.000 1.038 81 K CA 1.638 57.976 56.287 0.084 0.000 1.009 81 K CB -0.459 32.076 32.500 0.058 0.000 0.750 81 K HN 0.475 8.725 8.250 0.000 0.000 0.445 82 D N 0.845 121.302 120.400 0.095 0.000 2.375 82 D HA 0.092 4.732 4.640 -0.001 0.000 0.259 82 D C -0.322 176.024 176.300 0.076 0.000 1.235 82 D CA -0.138 53.911 54.000 0.081 0.000 0.924 82 D CB 1.118 41.946 40.800 0.047 0.000 1.143 82 D HN 0.220 8.590 8.370 0.000 0.000 0.529 83 D N 0.264 120.725 120.400 0.101 0.000 2.454 83 D HA 0.127 4.767 4.640 -0.001 0.000 0.219 83 D C 1.542 177.875 176.300 0.056 0.000 1.081 83 D CA 0.352 54.406 54.000 0.090 0.000 0.867 83 D CB 0.567 41.446 40.800 0.132 0.000 1.054 83 D HN 0.543 8.913 8.370 0.000 0.000 0.500 84 G N 0.444 109.255 108.800 0.019 0.000 2.195 84 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.224 84 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.224 84 G C 0.216 175.099 174.900 -0.030 0.000 0.990 84 G CA 0.023 45.114 45.100 -0.014 0.000 0.639 84 G HN 0.405 8.695 8.290 0.000 0.000 0.514 85 K N 0.307 120.711 120.400 0.007 0.000 2.180 85 K HA 0.454 4.773 4.320 -0.001 0.000 0.251 85 K C 0.588 177.130 176.600 -0.096 0.000 1.014 85 K CA -0.414 55.893 56.287 0.034 0.000 0.913 85 K CB 0.486 33.085 32.500 0.165 0.000 1.008 85 K HN 0.234 8.484 8.250 0.000 0.000 0.490 86 Q N 1.999 121.780 119.800 -0.033 0.000 2.332 86 Q HA 0.034 4.374 4.340 -0.001 0.000 0.263 86 Q C -1.199 174.789 176.000 -0.019 0.000 0.979 86 Q CA 0.860 56.585 55.803 -0.129 0.000 0.885 86 Q CB 0.437 29.108 28.738 -0.112 0.000 1.218 86 Q HN 0.499 8.769 8.270 0.000 0.000 0.405 87 H N 2.294 121.260 119.070 -0.172 0.000 2.621 87 H HA 0.451 5.006 4.556 -0.001 0.000 0.360 87 H C -1.138 174.057 175.328 -0.222 0.000 1.163 87 H CA -0.940 55.050 56.048 -0.097 0.000 1.194 87 H CB 1.300 31.071 29.762 0.015 0.000 1.649 87 H HN 0.609 8.889 8.280 0.000 0.000 0.532 88 Y N 1.072 121.555 120.300 0.305 0.000 2.409 88 Y HA 0.296 4.845 4.550 -0.001 0.000 0.343 88 Y C -0.858 175.184 175.900 0.235 0.000 0.973 88 Y CA -1.040 57.232 58.100 0.287 0.000 1.064 88 Y CB 1.865 40.508 38.460 0.304 0.000 1.207 88 Y HN 0.321 8.601 8.280 0.000 0.000 0.452 89 L N 4.897 126.379 121.223 0.432 0.000 2.341 89 L HA 0.673 5.013 4.340 -0.001 0.000 0.278 89 L C -1.427 175.650 176.870 0.344 0.000 1.005 89 L CA -0.535 54.496 54.840 0.318 0.000 0.818 89 L CB 1.020 43.248 42.059 0.282 0.000 1.259 89 L HN 0.532 8.762 8.230 0.000 0.000 0.418 90 I N 5.128 125.861 120.570 0.271 0.000 2.410 90 I HA 0.252 4.421 4.170 -0.001 0.000 0.286 90 I C -0.549 175.702 176.117 0.224 0.000 1.009 90 I CA -0.585 60.870 61.300 0.258 0.000 1.111 90 I CB 1.630 39.738 38.000 0.180 0.000 1.262 90 I HN 0.606 8.816 8.210 0.000 0.000 0.443 91 C N 5.781 125.224 119.300 0.238 0.000 2.585 91 C HA 0.195 4.655 4.460 -0.001 0.000 0.406 91 C C 0.827 175.935 174.990 0.196 0.000 1.312 91 C CA -0.202 58.943 59.018 0.210 0.000 1.924 91 C CB -0.436 27.428 27.740 0.206 0.000 2.578 91 C HN 0.804 9.034 8.230 0.000 0.000 0.580 92 N N 3.839 122.636 118.700 0.162 0.000 3.083 92 N HA 0.363 5.102 4.740 -0.001 0.000 0.260 92 N C 0.258 175.855 175.510 0.145 0.000 1.163 92 N CA -0.022 53.106 53.050 0.131 0.000 1.060 92 N CB 0.565 39.096 38.487 0.074 0.000 1.345 92 N HN 0.729 9.109 8.380 0.000 0.000 0.515 93 A N 2.171 125.100 122.820 0.182 0.000 2.579 93 A HA 0.108 4.428 4.320 -0.001 0.000 0.273 93 A C 0.271 177.946 177.584 0.153 0.000 1.363 93 A CA -0.468 51.674 52.037 0.175 0.000 0.953 93 A CB -0.607 18.502 19.000 0.182 0.000 1.034 93 A HN 0.626 8.776 8.150 0.000 0.000 0.536 94 D N 0.624 121.109 120.400 0.141 0.000 2.479 94 D HA 0.183 4.822 4.640 -0.001 0.000 0.218 94 D C -0.016 176.304 176.300 0.034 0.000 1.131 94 D CA -0.064 53.992 54.000 0.093 0.000 0.916 94 D CB 0.177 41.037 40.800 0.100 0.000 1.022 94 D HN 0.426 8.796 8.370 0.000 0.000 0.515 95 E N 2.581 122.768 120.200 -0.022 0.000 2.103 95 E HA 0.233 4.582 4.350 -0.001 0.000 0.254 95 E C -0.490 176.141 176.600 0.053 0.000 0.940 95 E CA -0.327 56.107 56.400 0.056 0.000 0.771 95 E CB 0.506 30.296 29.700 0.149 0.000 1.153 95 E HN 0.271 8.631 8.360 0.000 0.000 0.428 96 S N 3.102 118.904 115.700 0.170 0.000 2.666 96 S HA 0.026 4.496 4.470 -0.001 0.000 0.239 96 S C 0.178 174.994 174.600 0.360 0.000 1.031 96 S CA -0.449 57.902 58.200 0.253 0.000 1.015 96 S CB 0.420 63.802 63.200 0.303 0.000 0.981 96 S HN 0.612 8.922 8.310 0.000 0.000 0.547 97 E N 3.360 123.775 120.200 0.358 0.000 2.129 97 E HA 0.215 4.564 4.350 -0.001 0.000 0.283 97 E C -2.708 173.891 176.600 -0.002 0.000 1.080 97 E CA -2.342 54.187 56.400 0.215 0.000 0.867 97 E CB 0.495 30.413 29.700 0.364 0.000 1.056 97 E HN 0.016 8.376 8.360 0.000 0.000 0.404 98 P HA -0.010 4.410 4.420 0.000 0.000 0.267 98 P C 0.557 177.825 177.300 -0.053 0.000 1.195 98 P CA 1.081 64.049 63.100 -0.220 0.000 0.773 98 P CB 0.526 31.909 31.700 -0.529 0.000 0.837 99 G N 0.504 109.341 108.800 0.062 0.000 2.189 99 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.267 99 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.267 99 G C 0.320 175.347 174.900 0.212 0.000 0.975 99 G CA 0.424 45.624 45.100 0.166 0.000 0.644 99 G HN 0.828 9.118 8.290 0.000 0.000 0.537 100 S N -0.226 115.598 115.700 0.206 0.000 2.449 100 S HA 0.767 5.236 4.470 -0.001 0.000 0.310 100 S C -0.178 174.591 174.600 0.282 0.000 1.096 100 S CA -0.150 58.116 58.200 0.109 0.000 1.095 100 S CB 0.547 63.804 63.200 0.095 0.000 1.007 100 S HN 1.347 9.657 8.310 0.000 0.000 0.474 101 F N 2.916 122.953 119.950 0.145 0.000 2.481 101 F HA 0.403 4.930 4.527 -0.001 0.000 0.386 101 F C 0.399 176.330 175.800 0.218 0.000 1.454 101 F CA -0.893 57.219 58.000 0.187 0.000 1.092 101 F CB -0.671 38.435 39.000 0.177 0.000 1.346 101 F HN 0.550 8.850 8.300 0.000 0.000 0.511 102 K N -1.155 119.305 120.400 0.100 0.000 2.242 102 K HA 0.111 4.430 4.320 -0.001 0.000 0.200 102 K C 0.586 177.368 176.600 0.303 0.000 1.050 102 K CA 0.941 57.313 56.287 0.142 0.000 0.981 102 K CB -0.048 32.428 32.500 -0.040 0.000 0.795 102 K HN 0.025 8.275 8.250 0.000 0.000 0.477 103 D N 1.913 122.458 120.400 0.243 0.000 2.117 103 D HA -0.174 4.466 4.640 -0.001 0.000 0.197 103 D C 1.933 178.348 176.300 0.192 0.000 0.987 103 D CA 1.228 55.369 54.000 0.235 0.000 0.829 103 D CB -0.199 40.741 40.800 0.234 0.000 0.961 103 D HN 0.286 8.656 8.370 0.000 0.000 0.460 104 R N 0.090 120.670 120.500 0.134 0.000 2.134 104 R HA -0.242 4.098 4.340 -0.001 0.000 0.248 104 R C 1.879 177.962 176.300 -0.361 0.000 1.143 104 R CA 1.618 57.544 56.100 -0.291 0.000 0.957 104 R CB -0.644 29.219 30.300 -0.728 0.000 0.867 104 R HN 0.240 8.510 8.270 0.000 0.000 0.441 105 Y N -0.277 120.010 120.300 -0.021 0.000 2.517 105 Y HA 0.189 4.739 4.550 -0.000 0.000 0.281 105 Y C 1.916 177.686 175.900 -0.217 0.000 1.125 105 Y CA 0.340 58.354 58.100 -0.143 0.000 1.283 105 Y CB 0.153 38.515 38.460 -0.163 0.000 1.042 105 Y HN 0.047 8.327 8.280 0.000 0.000 0.547 106 I N -0.707 119.863 120.570 -0.001 0.000 2.439 106 I HA -0.247 3.923 4.170 -0.001 0.000 0.251 106 I C 1.898 178.016 176.117 0.001 0.000 1.139 106 I CA 1.065 62.360 61.300 -0.008 0.000 1.438 106 I CB -0.181 37.876 38.000 0.096 0.000 1.085 106 I HN 0.246 8.456 8.210 0.000 0.000 0.427 107 L N 0.251 121.470 121.223 -0.006 0.000 2.044 107 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 107 L C 2.418 179.237 176.870 -0.084 0.000 1.075 107 L CA 1.492 56.316 54.840 -0.026 0.000 0.747 107 L CB -0.519 41.541 42.059 0.000 0.000 0.903 107 L HN 0.252 8.482 8.230 0.000 0.000 0.435 108 E N -0.081 120.038 120.200 -0.136 0.000 2.107 108 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 108 E C 0.887 177.409 176.600 -0.129 0.000 0.982 108 E CA 1.125 57.413 56.400 -0.187 0.000 0.809 108 E CB 0.137 29.705 29.700 -0.219 0.000 0.756 108 E HN 0.533 8.893 8.360 0.000 0.000 0.459 109 D N -0.439 119.960 120.400 -0.001 0.000 2.479 109 D HA 0.012 4.652 4.640 -0.001 0.000 0.216 109 D C 0.497 176.889 176.300 0.152 0.000 1.110 109 D CA 0.350 54.437 54.000 0.146 0.000 0.841 109 D CB 1.553 42.417 40.800 0.107 0.000 1.040 109 D HN 0.085 8.455 8.370 0.000 0.000 0.505 110 V N -1.862 118.099 119.914 0.078 0.000 2.786 110 V HA 0.310 4.430 4.120 -0.001 0.000 0.326 110 V C -2.600 173.506 176.094 0.020 0.000 1.185 110 V CA -1.191 61.165 62.300 0.094 0.000 1.355 110 V CB 1.500 33.387 31.823 0.107 0.000 1.275 110 V HN -0.289 7.901 8.190 0.000 0.000 0.611 111 P HA -0.054 4.366 4.420 0.000 0.000 0.217 111 P C 1.456 178.632 177.300 -0.207 0.000 1.151 111 P CA 1.494 64.529 63.100 -0.109 0.000 0.828 111 P CB 0.041 31.648 31.700 -0.155 0.000 0.788 112 H N -1.113 117.806 119.070 -0.252 0.000 2.491 112 H HA -0.041 4.515 4.556 -0.001 0.000 0.290 112 H C 1.873 176.650 175.328 -0.918 0.000 1.050 112 H CA 0.839 56.548 56.048 -0.565 0.000 1.309 112 H CB -0.569 28.686 29.762 -0.845 0.000 1.392 112 H HN 0.074 8.354 8.280 0.000 0.000 0.554 113 L N 0.734 121.633 121.223 -0.539 0.000 2.027 113 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 113 L C 2.377 179.218 176.870 -0.049 0.000 1.074 113 L CA 1.225 55.966 54.840 -0.164 0.000 0.745 113 L CB -0.825 41.298 42.059 0.107 0.000 0.898 113 L HN 0.181 8.411 8.230 0.000 0.000 0.433 114 L N -0.897 120.313 121.223 -0.021 0.000 2.012 114 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 114 L C 2.546 179.462 176.870 0.078 0.000 1.073 114 L CA 1.916 56.786 54.840 0.051 0.000 0.748 114 L CB -0.244 41.847 42.059 0.055 0.000 0.891 114 L HN 0.346 8.576 8.230 0.000 0.000 0.431 115 I N 0.034 120.635 120.570 0.053 0.000 2.127 115 I HA -0.377 3.793 4.170 -0.001 0.000 0.241 115 I C 2.551 178.809 176.117 0.235 0.000 1.075 115 I CA 1.838 63.243 61.300 0.174 0.000 1.334 115 I CB -0.406 37.726 38.000 0.220 0.000 1.040 115 I HN 0.388 8.598 8.210 0.000 0.000 0.405 116 E N 0.988 121.257 120.200 0.116 0.000 2.085 116 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 116 E C 2.246 178.924 176.600 0.129 0.000 0.994 116 E CA 1.481 57.955 56.400 0.123 0.000 0.801 116 E CB -0.288 29.338 29.700 -0.125 0.000 0.743 116 E HN 0.535 8.895 8.360 0.000 0.000 0.453 117 G N 0.388 109.250 108.800 0.104 0.000 2.450 117 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 117 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 117 G C 1.479 176.450 174.900 0.119 0.000 1.130 117 G CA 0.932 46.106 45.100 0.122 0.000 0.760 117 G HN 0.222 8.512 8.290 0.000 0.000 0.557 118 M N -0.308 119.367 119.600 0.124 0.000 2.334 118 M HA 0.216 4.696 4.480 -0.001 0.000 0.266 118 M C 2.440 178.619 176.300 -0.201 0.000 1.082 118 M CA 0.528 55.881 55.300 0.088 0.000 1.141 118 M CB -0.167 32.594 32.600 0.268 0.000 1.380 118 M HN 0.143 8.433 8.290 0.000 0.000 0.440 119 I N 0.832 121.309 120.570 -0.155 0.000 2.151 119 I HA -0.335 3.835 4.170 -0.001 0.000 0.243 119 I C 2.272 178.254 176.117 -0.224 0.000 1.080 119 I CA 1.508 62.614 61.300 -0.323 0.000 1.339 119 I CB -0.540 37.538 38.000 0.129 0.000 1.039 119 I HN 0.275 8.485 8.210 0.000 0.000 0.409 120 L N 0.376 121.560 121.223 -0.065 0.000 2.017 120 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 120 L C 2.882 179.673 176.870 -0.132 0.000 1.073 120 L CA 1.420 56.249 54.840 -0.018 0.000 0.745 120 L CB -0.766 41.337 42.059 0.073 0.000 0.894 120 L HN 0.261 8.491 8.230 0.000 0.000 0.432 121 A N 0.327 123.020 122.820 -0.211 0.000 1.858 121 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 121 A C 2.414 179.667 177.584 -0.551 0.000 1.190 121 A CA 1.797 53.507 52.037 -0.546 0.000 0.617 121 A CB -1.385 17.449 19.000 -0.277 0.000 0.827 121 A HN 0.436 8.586 8.150 0.000 0.000 0.443 122 G N -1.755 106.835 108.800 -0.351 0.000 2.440 122 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 122 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 122 G C 1.550 176.392 174.900 -0.098 0.000 1.154 122 G CA 1.323 46.330 45.100 -0.155 0.000 0.767 122 G HN 0.541 8.831 8.290 0.000 0.000 0.552 123 Y N 2.200 122.232 120.300 -0.446 0.000 2.151 123 Y HA -0.107 4.443 4.550 -0.001 0.000 0.284 123 Y C 2.895 178.551 175.900 -0.407 0.000 1.166 123 Y CA 1.224 58.874 58.100 -0.751 0.000 1.163 123 Y CB -0.637 37.333 38.460 -0.817 0.000 0.974 123 Y HN 0.254 8.534 8.280 0.000 0.000 0.511 124 A N 0.570 123.100 122.820 -0.483 0.000 1.902 124 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 124 A C 2.145 179.525 177.584 -0.340 0.000 1.181 124 A CA 1.932 53.709 52.037 -0.434 0.000 0.623 124 A CB -1.304 17.504 19.000 -0.321 0.000 0.818 124 A HN 0.680 8.830 8.150 0.000 0.000 0.443 125 I N -5.962 114.413 120.570 -0.325 0.000 3.928 125 I HA 0.393 4.563 4.170 -0.001 0.000 0.335 125 I C 0.512 176.663 176.117 0.057 0.000 1.325 125 I CA -0.097 61.113 61.300 -0.151 0.000 1.107 125 I CB 0.217 38.089 38.000 -0.213 0.000 1.014 125 I HN 0.122 8.332 8.210 0.000 0.000 0.400 126 R N 0.853 121.370 120.500 0.029 0.000 3.776 126 R HA -0.134 4.206 4.340 -0.001 0.000 0.312 126 R C 0.102 176.535 176.300 0.222 0.000 1.181 126 R CA 0.837 57.030 56.100 0.155 0.000 0.836 126 R CB -2.584 27.787 30.300 0.119 0.000 1.324 126 R HN 0.649 8.919 8.270 0.000 0.000 0.501 127 A N 0.271 123.246 122.820 0.259 0.000 2.279 127 A HA 0.414 4.734 4.320 -0.001 0.000 0.306 127 A C 1.486 179.278 177.584 0.347 0.000 1.300 127 A CA 0.198 52.390 52.037 0.258 0.000 0.925 127 A CB 0.435 19.592 19.000 0.262 0.000 1.152 127 A HN 0.385 8.535 8.150 0.000 0.000 0.544 128 T N 0.287 114.922 114.554 0.135 0.000 3.023 128 T HA 0.114 4.463 4.350 -0.001 0.000 0.266 128 T C 0.437 175.111 174.700 -0.043 0.000 1.093 128 T CA 1.077 63.186 62.100 0.016 0.000 1.129 128 T CB -0.330 68.451 68.868 -0.145 0.000 0.899 128 T HN 0.309 8.549 8.240 0.000 0.000 0.491 129 V N 0.681 120.562 119.914 -0.054 0.000 2.604 129 V HA 0.805 4.924 4.120 -0.001 0.000 0.305 129 V C 0.447 176.529 176.094 -0.021 0.000 1.043 129 V CA -0.673 61.521 62.300 -0.178 0.000 0.888 129 V CB 1.527 33.341 31.823 -0.016 0.000 0.995 129 V HN 0.530 8.720 8.190 0.000 0.000 0.429 130 G N 2.129 110.744 108.800 -0.308 0.000 2.571 130 G HA2 0.712 4.671 3.960 -0.001 0.000 0.304 130 G HA3 0.712 4.671 3.960 -0.001 0.000 0.304 130 G C -2.074 172.729 174.900 -0.162 0.000 1.314 130 G CA -0.446 44.646 45.100 -0.013 0.000 0.975 130 G HN 0.433 8.723 8.290 0.000 0.000 0.485 131 Y N -0.145 120.276 120.300 0.203 0.000 2.485 131 Y HA 0.625 5.174 4.550 -0.001 0.000 0.345 131 Y C 0.246 176.256 175.900 0.182 0.000 0.998 131 Y CA -0.784 57.431 58.100 0.193 0.000 1.059 131 Y CB 2.742 41.308 38.460 0.177 0.000 1.234 131 Y HN 0.293 8.573 8.280 0.000 0.000 0.461 132 I N 3.037 123.815 120.570 0.346 0.000 2.448 132 I HA 0.123 4.293 4.170 -0.001 0.000 0.281 132 I C -1.411 174.879 176.117 0.288 0.000 1.027 132 I CA -0.784 60.680 61.300 0.273 0.000 1.111 132 I CB 1.076 39.187 38.000 0.186 0.000 1.236 132 I HN 0.538 8.748 8.210 0.000 0.000 0.452 133 Y N 8.249 128.653 120.300 0.173 0.000 2.650 133 Y HA 0.396 4.946 4.550 -0.000 0.000 0.343 133 Y C 0.064 176.022 175.900 0.097 0.000 1.078 133 Y CA -0.638 57.554 58.100 0.153 0.000 1.356 133 Y CB 0.546 39.071 38.460 0.110 0.000 1.204 133 Y HN 0.377 8.657 8.280 0.000 0.000 0.508 134 V N 5.316 125.295 119.914 0.108 0.000 2.973 134 V HA 0.591 4.711 4.120 -0.001 0.000 0.314 134 V C -0.207 175.893 176.094 0.010 0.000 1.066 134 V CA -1.170 61.190 62.300 0.101 0.000 1.021 134 V CB 1.220 33.095 31.823 0.088 0.000 1.076 134 V HN 0.723 8.913 8.190 0.000 0.000 0.462 135 R N 2.485 122.955 120.500 -0.050 0.000 2.537 135 R HA 0.383 4.723 4.340 -0.001 0.000 0.280 135 R C 0.796 177.036 176.300 -0.099 0.000 1.058 135 R CA 0.176 56.207 56.100 -0.116 0.000 1.057 135 R CB 0.205 30.322 30.300 -0.304 0.000 0.973 135 R HN 0.990 9.260 8.270 0.000 0.000 0.438 136 G N 1.668 110.415 108.800 -0.088 0.000 3.295 136 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.231 136 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.231 136 G C 0.292 175.173 174.900 -0.030 0.000 1.277 136 G CA -0.209 44.847 45.100 -0.075 0.000 1.013 136 G HN 0.721 9.011 8.290 0.000 0.000 0.509 137 E N -0.863 119.327 120.200 -0.016 0.000 2.391 137 E HA 0.157 4.506 4.350 -0.001 0.000 0.206 137 E C -0.189 176.513 176.600 0.170 0.000 0.851 137 E CA -0.312 56.113 56.400 0.042 0.000 1.059 137 E CB 0.239 29.952 29.700 0.021 0.000 1.065 137 E HN 0.255 8.615 8.360 0.000 0.000 0.512 138 Y N 1.795 122.075 120.300 -0.034 0.000 2.644 138 Y HA 0.085 4.634 4.550 -0.001 0.000 0.354 138 Y C 1.508 177.367 175.900 -0.069 0.000 1.166 138 Y CA -0.228 57.837 58.100 -0.058 0.000 1.591 138 Y CB -0.007 38.423 38.460 -0.050 0.000 1.346 138 Y HN -0.044 8.236 8.280 0.000 0.000 0.497 139 R N 2.733 123.267 120.500 0.057 0.000 2.055 139 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 139 R C 2.208 178.475 176.300 -0.055 0.000 1.135 139 R CA 1.655 57.751 56.100 -0.008 0.000 0.959 139 R CB -0.261 30.027 30.300 -0.021 0.000 0.854 139 R HN 0.571 8.841 8.270 0.000 0.000 0.431 140 R N -0.094 120.344 120.500 -0.103 0.000 2.081 140 R HA -0.003 4.337 4.340 -0.001 0.000 0.235 140 R C 2.009 178.204 176.300 -0.176 0.000 1.131 140 R CA 1.579 57.582 56.100 -0.161 0.000 0.960 140 R CB -0.501 29.677 30.300 -0.203 0.000 0.856 140 R HN 0.294 8.564 8.270 0.000 0.000 0.436 141 A N 0.821 123.541 122.820 -0.166 0.000 1.892 141 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 141 A C 2.408 179.956 177.584 -0.060 0.000 1.188 141 A CA 1.935 53.896 52.037 -0.126 0.000 0.631 141 A CB -1.050 17.896 19.000 -0.089 0.000 0.822 141 A HN 0.563 8.713 8.150 0.000 0.000 0.447 142 A N -0.269 122.537 122.820 -0.023 0.000 1.902 142 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 142 A C 1.731 179.288 177.584 -0.045 0.000 1.181 142 A CA 1.920 53.947 52.037 -0.018 0.000 0.623 142 A CB -0.533 18.459 19.000 -0.014 0.000 0.818 142 A HN 0.478 8.628 8.150 0.000 0.000 0.443 143 D N -0.901 119.456 120.400 -0.071 0.000 2.234 143 D HA -0.038 4.602 4.640 -0.001 0.000 0.205 143 D C 2.084 178.324 176.300 -0.101 0.000 0.962 143 D CA 0.581 54.533 54.000 -0.079 0.000 0.855 143 D CB -0.213 40.532 40.800 -0.090 0.000 0.951 143 D HN 0.333 8.703 8.370 0.000 0.000 0.500 144 R N 0.094 120.508 120.500 -0.143 0.000 2.161 144 R HA 0.132 4.472 4.340 -0.001 0.000 0.213 144 R C 2.337 178.573 176.300 -0.106 0.000 1.055 144 R CA -0.031 55.964 56.100 -0.175 0.000 0.996 144 R CB -0.171 29.956 30.300 -0.288 0.000 0.901 144 R HN 0.251 8.521 8.270 0.000 0.000 0.456 145 L N 0.635 121.810 121.223 -0.081 0.000 2.027 145 L HA -0.161 4.178 4.340 -0.001 0.000 0.206 145 L C 2.364 179.208 176.870 -0.042 0.000 1.074 145 L CA 1.411 56.215 54.840 -0.059 0.000 0.745 145 L CB -0.234 41.813 42.059 -0.020 0.000 0.898 145 L HN 0.090 8.320 8.230 0.000 0.000 0.433 146 E N -0.465 119.721 120.200 -0.024 0.000 2.077 146 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 146 E C 2.178 178.779 176.600 0.001 0.000 0.989 146 E CA 1.175 57.572 56.400 -0.005 0.000 0.800 146 E CB 0.026 29.725 29.700 -0.002 0.000 0.746 146 E HN 0.235 8.595 8.360 0.000 0.000 0.452 147 Q N -0.021 119.777 119.800 -0.004 0.000 1.998 147 Q HA -0.258 4.082 4.340 -0.001 0.000 0.209 147 Q C 2.181 178.211 176.000 0.051 0.000 1.002 147 Q CA 2.092 57.913 55.803 0.030 0.000 0.858 147 Q CB -0.826 27.933 28.738 0.034 0.000 0.932 147 Q HN 0.393 8.663 8.270 0.000 0.000 0.416 148 A N 0.844 123.659 122.820 -0.009 0.000 1.883 148 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 148 A C 2.188 179.761 177.584 -0.019 0.000 1.186 148 A CA 1.519 53.491 52.037 -0.109 0.000 0.624 148 A CB -0.860 17.812 19.000 -0.546 0.000 0.822 148 A HN 0.444 8.594 8.150 0.000 0.000 0.444 149 I N -0.472 120.078 120.570 -0.034 0.000 2.236 149 I HA -0.339 3.830 4.170 -0.001 0.000 0.249 149 I C 2.448 178.591 176.117 0.043 0.000 1.102 149 I CA 1.832 63.137 61.300 0.010 0.000 1.365 149 I CB -0.430 37.563 38.000 -0.011 0.000 1.051 149 I HN 0.403 8.613 8.210 0.000 0.000 0.420 150 K N 0.676 121.107 120.400 0.052 0.000 2.031 150 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 150 K C 1.973 178.628 176.600 0.093 0.000 1.049 150 K CA 1.256 57.578 56.287 0.059 0.000 0.939 150 K CB -0.145 32.386 32.500 0.052 0.000 0.717 150 K HN 0.371 8.621 8.250 0.000 0.000 0.438 151 E N 0.800 121.089 120.200 0.148 0.000 2.118 151 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 151 E C 2.028 178.747 176.600 0.198 0.000 0.992 151 E CA 1.074 57.583 56.400 0.182 0.000 0.804 151 E CB -0.126 29.728 29.700 0.257 0.000 0.741 151 E HN 0.311 8.671 8.360 0.000 0.000 0.458 152 A N 1.361 124.333 122.820 0.254 0.000 1.902 152 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 152 A C 2.099 179.748 177.584 0.107 0.000 1.181 152 A CA 1.261 53.430 52.037 0.220 0.000 0.623 152 A CB -0.334 18.809 19.000 0.238 0.000 0.818 152 A HN 0.045 8.195 8.150 0.000 0.000 0.443 153 R N -0.756 119.780 120.500 0.059 0.000 2.092 153 R HA -0.028 4.311 4.340 -0.001 0.000 0.231 153 R C 2.465 178.753 176.300 -0.020 0.000 1.119 153 R CA 1.014 57.109 56.100 -0.007 0.000 0.970 153 R CB -0.366 29.925 30.300 -0.015 0.000 0.864 153 R HN 0.518 8.788 8.270 0.000 0.000 0.440 154 A N 1.575 124.404 122.820 0.015 0.000 1.842 154 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 154 A C 1.775 179.340 177.584 -0.031 0.000 1.206 154 A CA 1.442 53.482 52.037 0.004 0.000 0.630 154 A CB -0.442 18.580 19.000 0.037 0.000 0.839 154 A HN 0.238 8.388 8.150 0.000 0.000 0.447 155 R N -0.615 119.880 120.500 -0.010 0.000 2.328 155 R HA 0.138 4.478 4.340 -0.001 0.000 0.200 155 R C 1.154 177.242 176.300 -0.354 0.000 0.983 155 R CA 0.811 56.857 56.100 -0.090 0.000 1.062 155 R CB -0.621 29.725 30.300 0.077 0.000 0.956 155 R HN 1.045 9.315 8.270 0.000 0.000 0.479 156 G N 0.602 109.219 108.800 -0.306 0.000 2.157 156 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.239 156 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.239 156 G C 0.313 174.870 174.900 -0.573 0.000 0.982 156 G CA -0.104 44.752 45.100 -0.406 0.000 0.650 156 G HN 0.372 8.662 8.290 0.000 0.000 0.527 157 Y N -0.123 119.999 120.300 -0.297 0.000 2.544 157 Y HA 0.531 5.081 4.550 -0.001 0.000 0.286 157 Y C 1.602 177.340 175.900 -0.270 0.000 1.141 157 Y CA 0.584 58.426 58.100 -0.429 0.000 1.299 157 Y CB 0.369 38.418 38.460 -0.685 0.000 1.030 157 Y HN 0.289 8.569 8.280 0.000 0.000 0.543 158 L N -1.267 119.905 121.223 -0.084 0.000 2.401 158 L HA 0.650 4.989 4.340 -0.001 0.000 0.266 158 L C 0.541 177.340 176.870 -0.118 0.000 0.991 158 L CA -0.284 54.525 54.840 -0.052 0.000 0.818 158 L CB 2.149 44.196 42.059 -0.020 0.000 1.321 158 L HN 0.274 8.504 8.230 0.000 0.000 0.413 159 G N 2.249 110.969 108.800 -0.133 0.000 2.662 159 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.236 159 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.236 159 G C 0.544 175.349 174.900 -0.158 0.000 1.212 159 G CA 0.249 45.254 45.100 -0.158 0.000 0.968 159 G HN 0.840 9.130 8.290 0.000 0.000 0.576 160 K N -0.172 120.146 120.400 -0.137 0.000 1.989 160 K HA -0.281 4.039 4.320 -0.001 0.000 0.230 160 K C 0.817 177.344 176.600 -0.121 0.000 0.947 160 K CA 2.312 58.527 56.287 -0.120 0.000 1.009 160 K CB -0.359 32.078 32.500 -0.106 0.000 0.725 160 K HN 0.682 8.932 8.250 0.000 0.000 0.511 161 N N 0.229 118.855 118.700 -0.123 0.000 2.732 161 N HA 0.211 4.950 4.740 -0.001 0.000 0.247 161 N C -1.480 173.966 175.510 -0.108 0.000 1.305 161 N CA -0.297 52.698 53.050 -0.091 0.000 0.762 161 N CB 0.882 39.336 38.487 -0.056 0.000 1.361 161 N HN 0.177 8.557 8.380 0.000 0.000 0.545 162 L N 3.361 124.512 121.223 -0.120 0.000 2.462 162 L HA 0.157 4.497 4.340 -0.001 0.000 0.272 162 L C 0.702 177.482 176.870 -0.151 0.000 1.166 162 L CA 0.335 54.998 54.840 -0.296 0.000 0.880 162 L CB -0.357 41.545 42.059 -0.262 0.000 1.142 162 L HN 0.600 8.830 8.230 0.000 0.000 0.473 163 F N 1.852 121.787 119.950 -0.026 0.000 2.973 163 F HA -0.311 4.216 4.527 -0.000 0.000 0.299 163 F C 1.566 177.354 175.800 -0.020 0.000 0.737 163 F CA 0.517 58.503 58.000 -0.024 0.000 1.151 163 F CB -1.871 37.128 39.000 -0.001 0.000 1.440 163 F HN 0.827 9.127 8.300 0.000 0.000 0.367 164 G N -0.969 107.883 108.800 0.088 0.000 2.268 164 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.240 164 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.240 164 G C 0.276 175.218 174.900 0.070 0.000 1.010 164 G CA 0.290 45.427 45.100 0.061 0.000 0.618 164 G HN 0.670 8.960 8.290 0.000 0.000 0.516 165 T N 2.141 116.762 114.554 0.112 0.000 2.907 165 T HA 0.424 4.774 4.350 -0.001 0.000 0.298 165 T C 1.146 175.917 174.700 0.118 0.000 1.017 165 T CA 0.553 62.718 62.100 0.110 0.000 1.118 165 T CB 0.567 69.505 68.868 0.118 0.000 0.948 165 T HN 0.383 8.623 8.240 0.000 0.000 0.531 166 D N 3.881 124.351 120.400 0.116 0.000 2.488 166 D HA -0.025 4.615 4.640 -0.001 0.000 0.260 166 D C -0.041 176.373 176.300 0.191 0.000 1.273 166 D CA -0.082 53.986 54.000 0.114 0.000 0.912 166 D CB -0.712 40.143 40.800 0.091 0.000 0.982 166 D HN 0.312 8.682 8.370 0.000 0.000 0.492 167 F N 1.011 120.987 119.950 0.043 0.000 2.480 167 F HA 0.471 4.998 4.527 -0.000 0.000 0.329 167 F C -0.652 175.174 175.800 0.043 0.000 1.091 167 F CA -0.903 57.138 58.000 0.068 0.000 0.972 167 F CB 1.938 40.989 39.000 0.084 0.000 1.150 167 F HN -0.217 8.083 8.300 0.000 0.000 0.467 168 S N 5.683 120.984 115.700 -0.665 0.000 2.536 168 S HA 0.713 5.183 4.470 -0.001 0.000 0.287 168 S C -1.740 172.454 174.600 -0.677 0.000 1.101 168 S CA -0.579 57.323 58.200 -0.496 0.000 0.950 168 S CB 1.907 64.939 63.200 -0.281 0.000 1.056 168 S HN 0.585 8.895 8.310 0.000 0.000 0.481 169 F N 1.954 121.593 119.950 -0.518 0.000 2.605 169 F HA 0.548 5.075 4.527 -0.000 0.000 0.320 169 F C -1.827 173.849 175.800 -0.208 0.000 1.159 169 F CA -0.432 57.347 58.000 -0.367 0.000 0.999 169 F CB 1.455 40.344 39.000 -0.185 0.000 1.258 169 F HN 0.551 8.851 8.300 0.000 0.000 0.464 170 D N 4.547 124.399 120.400 -0.914 0.000 2.575 170 D HA 0.565 5.204 4.640 -0.001 0.000 0.236 170 D C -1.727 173.957 176.300 -1.026 0.000 1.075 170 D CA -0.224 53.306 54.000 -0.782 0.000 0.860 170 D CB 2.439 42.921 40.800 -0.530 0.000 1.475 170 D HN 0.438 8.808 8.370 0.000 0.000 0.474 171 L N 2.977 123.746 121.223 -0.757 0.000 2.331 171 L HA 0.454 4.793 4.340 -0.001 0.000 0.275 171 L C -0.547 175.934 176.870 -0.647 0.000 1.022 171 L CA -0.487 53.997 54.840 -0.593 0.000 0.812 171 L CB 1.521 43.441 42.059 -0.233 0.000 1.257 171 L HN 0.407 8.637 8.230 0.000 0.000 0.435 172 H N 1.897 120.835 119.070 -0.220 0.000 2.689 172 H HA 0.491 5.046 4.556 -0.001 0.000 0.346 172 H C -0.916 174.452 175.328 0.067 0.000 1.037 172 H CA -0.598 55.386 56.048 -0.106 0.000 1.234 172 H CB 1.957 31.588 29.762 -0.218 0.000 1.572 172 H HN 0.210 8.490 8.280 0.000 0.000 0.524 173 V N 2.782 122.819 119.914 0.206 0.000 2.686 173 V HA 0.114 4.233 4.120 -0.001 0.000 0.295 173 V C -0.003 176.227 176.094 0.226 0.000 1.057 173 V CA -0.326 62.082 62.300 0.179 0.000 1.012 173 V CB 1.100 32.974 31.823 0.086 0.000 1.006 173 V HN 0.781 8.971 8.190 0.000 0.000 0.477 174 H N 3.708 122.808 119.070 0.050 0.000 3.177 174 H HA 0.478 5.034 4.556 -0.001 0.000 0.314 174 H C -0.070 175.089 175.328 -0.283 0.000 1.059 174 H CA -0.545 55.462 56.048 -0.069 0.000 1.515 174 H CB 0.540 30.283 29.762 -0.033 0.000 1.672 174 H HN 0.634 8.914 8.280 0.000 0.000 0.514 175 R N 2.532 122.737 120.500 -0.492 0.000 2.679 175 R HA 0.393 4.732 4.340 -0.001 0.000 0.269 175 R C 0.642 176.547 176.300 -0.660 0.000 1.076 175 R CA 0.108 55.937 56.100 -0.451 0.000 1.160 175 R CB 0.814 30.959 30.300 -0.257 0.000 1.054 175 R HN 0.646 8.916 8.270 0.000 0.000 0.507 176 G N -0.662 107.864 108.800 -0.456 0.000 2.606 176 G HA2 0.466 4.425 3.960 -0.001 0.000 0.262 176 G HA3 0.466 4.425 3.960 -0.001 0.000 0.262 176 G C -0.365 174.450 174.900 -0.140 0.000 1.394 176 G CA -0.058 44.861 45.100 -0.302 0.000 1.044 176 G HN 0.585 8.875 8.290 0.000 0.000 0.553 177 A N -2.125 120.677 122.820 -0.029 0.000 2.665 177 A HA 0.600 4.919 4.320 -0.001 0.000 0.268 177 A C 0.759 178.349 177.584 0.010 0.000 1.044 177 A CA 1.052 53.076 52.037 -0.021 0.000 0.993 177 A CB -0.078 18.911 19.000 -0.019 0.000 1.229 177 A HN 2.442 10.592 8.150 0.000 0.000 0.576 178 G N -0.464 108.354 108.800 0.030 0.000 2.970 178 G HA2 0.459 4.419 3.960 -0.001 0.000 0.249 178 G HA3 0.459 4.419 3.960 -0.001 0.000 0.249 178 G C -0.211 174.724 174.900 0.058 0.000 1.113 178 G CA -0.039 45.087 45.100 0.044 0.000 1.119 178 G HN 2.002 10.292 8.290 0.000 0.000 0.552 179 A N 0.784 123.649 122.820 0.074 0.000 2.509 179 A HA 0.662 4.982 4.320 -0.001 0.000 0.282 179 A C 0.193 177.835 177.584 0.097 0.000 1.054 179 A CA 0.426 52.502 52.037 0.063 0.000 0.820 179 A CB 0.515 19.532 19.000 0.027 0.000 1.333 179 A HN 1.533 9.683 8.150 0.000 0.000 0.409 180 Y N 3.525 123.823 120.300 -0.003 0.000 2.151 180 Y HA -0.247 4.303 4.550 -0.001 0.000 0.284 180 Y C 1.654 177.569 175.900 0.025 0.000 1.166 180 Y CA 2.797 60.919 58.100 0.036 0.000 1.163 180 Y CB -0.036 38.458 38.460 0.055 0.000 0.974 180 Y HN 0.723 9.003 8.280 0.000 0.000 0.511 181 I N -0.106 120.433 120.570 -0.052 0.000 2.530 181 I HA -0.281 3.889 4.170 -0.001 0.000 0.257 181 I C 1.882 177.881 176.117 -0.196 0.000 1.179 181 I CA 1.272 62.478 61.300 -0.156 0.000 1.440 181 I CB -0.966 37.008 38.000 -0.043 0.000 1.087 181 I HN 0.358 8.568 8.210 0.000 0.000 0.440 182 C N 1.508 120.713 119.300 -0.158 0.000 2.485 182 C HA 0.093 4.553 4.460 -0.001 0.000 0.283 182 C C 2.577 177.371 174.990 -0.327 0.000 1.478 182 C CA 0.655 59.533 59.018 -0.233 0.000 1.741 182 C CB -2.387 25.261 27.740 -0.152 0.000 1.675 182 C HN 0.748 8.978 8.230 0.000 0.000 0.573 183 G N -0.706 107.920 108.800 -0.289 0.000 2.539 183 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.215 183 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.215 183 G C 0.709 175.474 174.900 -0.225 0.000 1.141 183 G CA 0.081 45.028 45.100 -0.255 0.000 0.806 183 G HN 0.489 8.779 8.290 0.000 0.000 0.533 184 E N 1.327 121.384 120.200 -0.237 0.000 2.417 184 E HA -0.009 4.341 4.350 -0.001 0.000 0.261 184 E C 1.548 178.057 176.600 -0.152 0.000 1.000 184 E CA 0.005 56.306 56.400 -0.165 0.000 0.919 184 E CB 0.802 30.418 29.700 -0.142 0.000 0.955 184 E HN 0.687 9.047 8.360 0.000 0.000 0.455 185 E N 2.484 122.620 120.200 -0.108 0.000 2.171 185 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 185 E C 1.344 177.873 176.600 -0.118 0.000 0.997 185 E CA 1.713 58.054 56.400 -0.098 0.000 0.810 185 E CB -0.047 29.624 29.700 -0.047 0.000 0.738 185 E HN 0.347 8.707 8.360 0.000 0.000 0.467 186 T N -1.066 113.421 114.554 -0.111 0.000 3.040 186 T HA 0.285 4.634 4.350 -0.001 0.000 0.252 186 T C 1.700 176.326 174.700 -0.123 0.000 1.064 186 T CA 0.587 62.621 62.100 -0.109 0.000 1.110 186 T CB -0.023 68.792 68.868 -0.087 0.000 0.921 186 T HN 0.346 8.586 8.240 0.000 0.000 0.480 187 A N 0.932 123.678 122.820 -0.124 0.000 2.014 187 A HA 0.197 4.517 4.320 -0.001 0.000 0.218 187 A C 2.143 179.608 177.584 -0.200 0.000 1.163 187 A CA 0.794 52.753 52.037 -0.130 0.000 0.652 187 A CB -0.610 18.325 19.000 -0.110 0.000 0.808 187 A HN 0.552 8.702 8.150 0.000 0.000 0.449 188 L N -0.998 120.061 121.223 -0.273 0.000 2.056 188 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 188 L C 2.582 179.243 176.870 -0.348 0.000 1.078 188 L CA 1.589 56.164 54.840 -0.441 0.000 0.749 188 L CB -0.231 41.542 42.059 -0.477 0.000 0.901 188 L HN 0.402 8.632 8.230 0.000 0.000 0.433 189 M N -0.418 119.013 119.600 -0.282 0.000 2.117 189 M HA -0.218 4.262 4.480 -0.001 0.000 0.262 189 M C 1.945 178.047 176.300 -0.331 0.000 1.065 189 M CA 1.563 56.667 55.300 -0.326 0.000 1.114 189 M CB -0.590 31.837 32.600 -0.290 0.000 1.361 189 M HN 0.346 8.636 8.290 0.000 0.000 0.408 190 N N 0.081 118.641 118.700 -0.234 0.000 2.058 190 N HA -0.138 4.602 4.740 -0.001 0.000 0.191 190 N C 1.816 177.241 175.510 -0.141 0.000 1.037 190 N CA 1.585 54.525 53.050 -0.183 0.000 0.848 190 N CB -0.604 37.809 38.487 -0.123 0.000 1.021 190 N HN 0.226 8.606 8.380 0.000 0.000 0.422 191 S N 1.084 116.724 115.700 -0.100 0.000 2.368 191 S HA -0.152 4.318 4.470 -0.001 0.000 0.226 191 S C 2.010 176.658 174.600 0.079 0.000 1.044 191 S CA 1.298 59.514 58.200 0.027 0.000 1.062 191 S CB -0.531 62.719 63.200 0.085 0.000 0.931 191 S HN 0.377 8.687 8.310 0.000 0.000 0.440 192 L N 1.228 122.440 121.223 -0.019 0.000 2.012 192 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 192 L C 2.343 178.991 176.870 -0.369 0.000 1.073 192 L CA 2.197 56.845 54.840 -0.319 0.000 0.748 192 L CB -0.515 41.277 42.059 -0.445 0.000 0.891 192 L HN 0.390 8.620 8.230 0.000 0.000 0.431 193 E N -0.322 119.641 120.200 -0.395 0.000 2.533 193 E HA -0.087 4.263 4.350 -0.001 0.000 0.203 193 E C 1.148 177.720 176.600 -0.047 0.000 1.101 193 E CA 0.594 56.804 56.400 -0.317 0.000 0.894 193 E CB -0.296 29.128 29.700 -0.460 0.000 0.843 193 E HN 0.738 9.098 8.360 0.000 0.000 0.552 194 G N -0.126 108.660 108.800 -0.024 0.000 2.143 194 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.249 194 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.249 194 G C 0.120 175.030 174.900 0.016 0.000 0.981 194 G CA 0.447 45.568 45.100 0.036 0.000 0.665 194 G HN 0.209 8.499 8.290 0.000 0.000 0.528 195 L N -0.899 120.315 121.223 -0.014 0.000 2.376 195 L HA 0.654 4.994 4.340 -0.001 0.000 0.267 195 L C 1.221 178.080 176.870 -0.018 0.000 1.035 195 L CA -1.397 53.430 54.840 -0.021 0.000 0.800 195 L CB 0.591 42.623 42.059 -0.044 0.000 1.290 195 L HN 0.004 8.234 8.230 0.000 0.000 0.462 196 R N 0.694 121.179 120.500 -0.025 0.000 2.401 196 R HA 0.261 4.601 4.340 -0.001 0.000 0.299 196 R C -0.072 176.205 176.300 -0.039 0.000 1.064 196 R CA -0.333 55.750 56.100 -0.027 0.000 1.000 196 R CB 0.598 30.877 30.300 -0.034 0.000 0.973 196 R HN 0.680 8.950 8.270 0.000 0.000 0.438 197 A N 4.635 127.435 122.820 -0.033 0.000 3.030 197 A HA 0.034 4.354 4.320 -0.001 0.000 0.273 197 A C -0.363 177.188 177.584 -0.055 0.000 1.841 197 A CA -0.216 51.791 52.037 -0.051 0.000 1.479 197 A CB -0.845 18.129 19.000 -0.043 0.000 1.048 197 A HN 0.806 8.956 8.150 0.000 0.000 0.612 198 N N 2.101 120.768 118.700 -0.055 0.000 2.492 198 N HA 0.462 5.202 4.740 -0.001 0.000 0.289 198 N C -2.779 172.724 175.510 -0.013 0.000 1.133 198 N CA -1.616 51.408 53.050 -0.043 0.000 0.961 198 N CB 1.360 39.802 38.487 -0.074 0.000 1.186 198 N HN 0.296 8.676 8.380 0.000 0.000 0.493 199 P HA 0.132 4.552 4.420 0.000 0.000 0.274 199 P C -0.771 176.671 177.300 0.237 0.000 1.231 199 P CA -0.008 63.153 63.100 0.103 0.000 0.790 199 P CB 1.062 32.837 31.700 0.126 0.000 0.951 200 R N 0.714 121.289 120.500 0.125 0.000 2.541 200 R HA 0.483 4.823 4.340 -0.001 0.000 0.263 200 R C -0.036 176.363 176.300 0.164 0.000 1.112 200 R CA -1.091 55.087 56.100 0.130 0.000 1.170 200 R CB 0.004 30.299 30.300 -0.008 0.000 1.167 200 R HN 0.340 8.610 8.270 0.000 0.000 0.582 201 L N 1.701 123.017 121.223 0.155 0.000 2.315 201 L HA 0.099 4.439 4.340 -0.001 0.000 0.283 201 L C 0.773 177.539 176.870 -0.175 0.000 1.089 201 L CA 0.660 55.528 54.840 0.047 0.000 0.833 201 L CB 0.604 42.718 42.059 0.090 0.000 1.170 201 L HN 0.518 8.748 8.230 0.000 0.000 0.442 202 K N 4.305 124.506 120.400 -0.332 0.000 2.243 202 K HA 0.082 4.402 4.320 -0.001 0.000 0.201 202 K C -0.871 175.222 176.600 -0.844 0.000 1.051 202 K CA 0.448 56.406 56.287 -0.549 0.000 0.970 202 K CB -0.411 31.759 32.500 -0.550 0.000 0.755 202 K HN 0.513 8.763 8.250 0.000 0.000 0.465 203 P HA -0.182 4.238 4.420 0.000 0.000 0.222 203 P C -2.040 174.996 177.300 -0.440 0.000 1.155 203 P CA 1.349 64.176 63.100 -0.455 0.000 0.890 203 P CB -0.859 30.714 31.700 -0.212 0.000 0.790 204 P HA 0.171 4.591 4.420 0.000 0.000 0.288 204 P C -0.483 176.658 177.300 -0.265 0.000 1.363 204 P CA -0.206 62.765 63.100 -0.214 0.000 0.837 204 P CB -0.096 31.538 31.700 -0.110 0.000 0.981 205 F N 5.429 125.331 119.950 -0.080 0.000 2.418 205 F HA 0.208 4.735 4.527 -0.001 0.000 0.341 205 F C -0.705 175.049 175.800 -0.077 0.000 1.120 205 F CA -1.753 56.184 58.000 -0.104 0.000 1.232 205 F CB 0.159 39.065 39.000 -0.157 0.000 1.175 205 F HN 0.335 8.635 8.300 0.000 0.000 0.569 206 P HA -0.223 4.197 4.420 0.000 0.000 0.218 206 P C 1.134 178.479 177.300 0.075 0.000 1.148 206 P CA 1.910 65.052 63.100 0.072 0.000 0.822 206 P CB -0.120 31.612 31.700 0.054 0.000 0.784 207 A N -0.191 122.677 122.820 0.080 0.000 1.972 207 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 207 A C 2.066 179.672 177.584 0.037 0.000 1.169 207 A CA 1.696 53.766 52.037 0.055 0.000 0.635 207 A CB -0.974 18.062 19.000 0.060 0.000 0.810 207 A HN 0.233 8.383 8.150 0.000 0.000 0.446 208 Q N -1.776 118.062 119.800 0.064 0.000 2.378 208 Q HA 0.317 4.657 4.340 -0.001 0.000 0.216 208 Q C 0.055 176.093 176.000 0.064 0.000 0.892 208 Q CA 0.629 56.468 55.803 0.060 0.000 0.931 208 Q CB 0.891 29.671 28.738 0.071 0.000 1.086 208 Q HN 0.324 8.594 8.270 0.000 0.000 0.528 209 S N -0.438 115.299 115.700 0.061 0.000 2.382 209 S HA 0.592 5.062 4.470 -0.001 0.000 0.228 209 S C -0.529 174.088 174.600 0.029 0.000 0.996 209 S CA -0.360 57.872 58.200 0.053 0.000 1.094 209 S CB 0.239 63.461 63.200 0.036 0.000 1.209 209 S HN 0.348 8.658 8.310 0.000 0.000 0.420 210 G N 2.280 111.104 108.800 0.040 0.000 3.387 210 G HA2 0.496 4.455 3.960 -0.001 0.000 0.194 210 G HA3 0.496 4.455 3.960 -0.001 0.000 0.194 210 G C -0.598 174.249 174.900 -0.088 0.000 1.417 210 G CA -0.514 44.575 45.100 -0.018 0.000 0.777 210 G HN 0.533 8.823 8.290 0.000 0.000 0.721 211 L N 1.688 122.814 121.223 -0.162 0.000 2.660 211 L HA 0.167 4.507 4.340 -0.001 0.000 0.272 211 L C -0.009 176.737 176.870 -0.208 0.000 1.194 211 L CA -0.130 54.425 54.840 -0.475 0.000 0.945 211 L CB -1.232 40.401 42.059 -0.710 0.000 1.212 211 L HN 0.539 8.769 8.230 0.000 0.000 0.490 212 W N 5.237 126.467 121.300 -0.117 0.000 5.563 212 W HA -0.214 4.446 4.660 -0.000 0.000 0.396 212 W C 1.346 177.887 176.519 0.036 0.000 1.519 212 W CA 0.791 58.109 57.345 -0.044 0.000 0.953 212 W CB -2.101 27.331 29.460 -0.047 0.000 2.691 212 W HN 0.988 9.168 8.180 0.000 0.000 1.444 213 G N -0.939 107.951 108.800 0.150 0.000 2.257 213 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.267 213 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.267 213 G C 0.720 175.717 174.900 0.161 0.000 0.984 213 G CA 1.113 46.293 45.100 0.133 0.000 0.626 213 G HN 0.135 8.425 8.290 0.000 0.000 0.540 214 K N 0.910 121.455 120.400 0.243 0.000 2.118 214 K HA 0.499 4.819 4.320 -0.001 0.000 0.264 214 K C -2.577 174.176 176.600 0.256 0.000 1.000 214 K CA -2.663 53.810 56.287 0.311 0.000 0.929 214 K CB 0.634 33.456 32.500 0.537 0.000 1.021 214 K HN -0.016 8.234 8.250 0.000 0.000 0.463 215 P HA 0.013 4.433 4.420 0.000 0.000 0.263 215 P C -0.442 176.922 177.300 0.107 0.000 1.247 215 P CA 0.207 63.339 63.100 0.054 0.000 0.876 215 P CB 0.007 31.579 31.700 -0.213 0.000 0.928 216 T N 0.191 114.825 114.554 0.133 0.000 2.924 216 T HA 0.661 5.011 4.350 -0.001 0.000 0.291 216 T C -0.537 174.234 174.700 0.119 0.000 1.045 216 T CA -0.636 61.572 62.100 0.180 0.000 1.015 216 T CB 1.541 70.531 68.868 0.204 0.000 1.103 216 T HN 0.035 8.275 8.240 0.000 0.000 0.496 217 T N 1.868 116.507 114.554 0.142 0.000 2.881 217 T HA 0.646 4.996 4.350 -0.001 0.000 0.290 217 T C -0.885 173.913 174.700 0.164 0.000 1.000 217 T CA -0.622 61.565 62.100 0.145 0.000 0.978 217 T CB 0.466 69.410 68.868 0.127 0.000 0.997 217 T HN 0.637 8.877 8.240 0.000 0.000 0.443 218 I N 3.769 124.434 120.570 0.158 0.000 2.509 218 I HA 0.542 4.712 4.170 -0.001 0.000 0.293 218 I C -0.101 176.125 176.117 0.183 0.000 1.020 218 I CA -0.801 60.586 61.300 0.146 0.000 1.088 218 I CB 2.207 40.253 38.000 0.077 0.000 1.267 218 I HN 0.540 8.750 8.210 0.000 0.000 0.430 219 N N 2.851 121.669 118.700 0.198 0.000 2.525 219 N HA 0.277 5.017 4.740 -0.001 0.000 0.270 219 N C -1.178 174.438 175.510 0.175 0.000 1.321 219 N CA -0.908 52.269 53.050 0.212 0.000 0.797 219 N CB 1.742 40.412 38.487 0.304 0.000 1.529 219 N HN 0.583 8.963 8.380 0.000 0.000 0.491 220 N N 0.295 119.091 118.700 0.161 0.000 2.483 220 N HA 0.110 4.850 4.740 -0.001 0.000 0.269 220 N C 0.935 176.541 175.510 0.160 0.000 1.209 220 N CA -0.197 52.939 53.050 0.144 0.000 0.969 220 N CB 1.172 39.736 38.487 0.128 0.000 1.173 220 N HN 0.216 8.596 8.380 0.000 0.000 0.475 221 V N 2.478 122.485 119.914 0.156 0.000 2.252 221 V HA -0.237 3.883 4.120 -0.001 0.000 0.249 221 V C 2.417 178.606 176.094 0.158 0.000 1.056 221 V CA 1.914 64.310 62.300 0.160 0.000 1.022 221 V CB -0.702 31.217 31.823 0.161 0.000 0.641 221 V HN 0.771 8.961 8.190 0.000 0.000 0.445 222 E N -0.363 119.927 120.200 0.150 0.000 2.077 222 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 222 E C 2.246 178.931 176.600 0.142 0.000 0.989 222 E CA 1.845 58.331 56.400 0.144 0.000 0.800 222 E CB -0.132 29.636 29.700 0.114 0.000 0.746 222 E HN 0.681 9.041 8.360 0.000 0.000 0.452 223 T N 1.558 116.196 114.554 0.139 0.000 2.699 223 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 223 T C 1.926 176.714 174.700 0.147 0.000 1.036 223 T CA 1.221 63.400 62.100 0.132 0.000 1.147 223 T CB -0.167 68.787 68.868 0.143 0.000 0.862 223 T HN 0.152 8.392 8.240 0.000 0.000 0.446 224 L N 0.383 121.715 121.223 0.181 0.000 2.068 224 L HA 0.088 4.428 4.340 -0.001 0.000 0.204 224 L C 3.081 180.053 176.870 0.170 0.000 1.076 224 L CA 0.879 55.842 54.840 0.207 0.000 0.753 224 L CB -0.665 41.523 42.059 0.215 0.000 0.910 224 L HN 0.229 8.459 8.230 0.000 0.000 0.439 225 A N -0.593 122.320 122.820 0.156 0.000 1.986 225 A HA -0.228 4.092 4.320 -0.001 0.000 0.220 225 A C 2.402 180.074 177.584 0.146 0.000 1.171 225 A CA 2.237 54.362 52.037 0.146 0.000 0.640 225 A CB -0.589 18.503 19.000 0.154 0.000 0.811 225 A HN 0.387 8.537 8.150 0.000 0.000 0.451 226 S N -0.864 114.923 115.700 0.145 0.000 2.522 226 S HA 0.004 4.473 4.470 -0.001 0.000 0.227 226 S C 1.498 176.133 174.600 0.058 0.000 0.986 226 S CA 0.820 59.101 58.200 0.136 0.000 0.929 226 S CB -0.068 63.216 63.200 0.140 0.000 0.769 226 S HN 0.345 8.655 8.310 0.000 0.000 0.529 227 V N 1.201 121.164 119.914 0.082 0.000 3.141 227 V HA -0.047 4.073 4.120 -0.001 0.000 0.265 227 V C 1.956 178.096 176.094 0.076 0.000 1.126 227 V CA 0.904 63.251 62.300 0.079 0.000 1.141 227 V CB -0.419 31.546 31.823 0.238 0.000 0.743 227 V HN 0.345 8.535 8.190 0.000 0.000 0.492 228 V N 0.828 120.793 119.914 0.084 0.000 2.283 228 V HA -0.033 4.086 4.120 -0.001 0.000 0.239 228 V C 0.206 176.314 176.094 0.023 0.000 1.035 228 V CA 1.735 64.073 62.300 0.064 0.000 1.018 228 V CB -1.789 30.083 31.823 0.082 0.000 0.658 228 V HN 0.469 8.659 8.190 0.000 0.000 0.459 229 P HA -0.200 4.220 4.420 0.000 0.000 0.215 229 P C 1.891 179.173 177.300 -0.029 0.000 1.157 229 P CA 1.790 64.859 63.100 -0.051 0.000 0.874 229 P CB -0.084 31.654 31.700 0.063 0.000 0.790 230 I N -1.101 119.520 120.570 0.086 0.000 2.113 230 I HA -0.295 3.875 4.170 -0.001 0.000 0.242 230 I C 2.487 178.619 176.117 0.025 0.000 1.057 230 I CA 1.766 63.097 61.300 0.052 0.000 1.314 230 I CB -0.561 37.336 38.000 -0.173 0.000 1.022 230 I HN -0.064 8.146 8.210 0.000 0.000 0.408 231 M N -0.651 118.953 119.600 0.007 0.000 2.447 231 M HA -0.095 4.384 4.480 -0.001 0.000 0.264 231 M C 2.060 178.349 176.300 -0.019 0.000 1.095 231 M CA 1.169 56.476 55.300 0.012 0.000 1.125 231 M CB -0.977 31.645 32.600 0.037 0.000 1.389 231 M HN 0.311 8.601 8.290 0.000 0.000 0.459 232 E N 1.754 121.922 120.200 -0.054 0.000 2.016 232 E HA -0.119 4.231 4.350 -0.001 0.000 0.190 232 E C 0.645 177.166 176.600 -0.131 0.000 0.985 232 E CA 0.781 57.120 56.400 -0.101 0.000 0.802 232 E CB 0.285 29.901 29.700 -0.140 0.000 0.762 232 E HN 0.471 8.831 8.360 0.000 0.000 0.448 233 R N 0.213 120.596 120.500 -0.194 0.000 2.989 233 R HA 0.436 4.776 4.340 -0.001 0.000 0.340 233 R C -0.047 176.251 176.300 -0.004 0.000 1.205 233 R CA 0.034 56.013 56.100 -0.202 0.000 1.235 233 R CB 0.734 30.731 30.300 -0.505 0.000 1.394 233 R HN 0.218 8.488 8.270 0.000 0.000 0.598 234 G N 0.471 109.306 108.800 0.059 0.000 2.801 234 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.686 234 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.686 234 G C 0.730 175.778 174.900 0.246 0.000 1.507 234 G CA -0.347 44.834 45.100 0.135 0.000 0.980 234 G HN 0.443 8.733 8.290 0.000 0.000 0.589 235 A N 0.510 123.439 122.820 0.182 0.000 1.930 235 A HA 0.007 4.327 4.320 -0.001 0.000 0.217 235 A C 2.102 179.841 177.584 0.259 0.000 1.175 235 A CA 2.250 54.415 52.037 0.213 0.000 0.627 235 A CB -0.329 18.738 19.000 0.112 0.000 0.815 235 A HN 0.810 8.960 8.150 0.000 0.000 0.443 236 D N -1.243 119.275 120.400 0.196 0.000 2.133 236 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 236 D C 1.607 178.021 176.300 0.189 0.000 0.997 236 D CA 1.636 55.729 54.000 0.155 0.000 0.840 236 D CB -0.354 40.521 40.800 0.125 0.000 0.947 236 D HN 0.793 9.163 8.370 0.000 0.000 0.452 237 W N 1.010 122.362 121.300 0.088 0.000 2.355 237 W HA -0.242 4.418 4.660 -0.001 0.000 0.309 237 W C 2.162 178.751 176.519 0.117 0.000 1.206 237 W CA 1.126 58.524 57.345 0.088 0.000 1.284 237 W CB -0.725 28.788 29.460 0.088 0.000 1.145 237 W HN -0.101 8.079 8.180 0.000 0.000 0.502 238 F N 1.380 121.395 119.950 0.107 0.000 2.075 238 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 238 F C 2.379 178.055 175.800 -0.208 0.000 1.113 238 F CA 2.866 60.786 58.000 -0.134 0.000 1.218 238 F CB -1.058 38.023 39.000 0.136 0.000 0.984 238 F HN -0.074 8.226 8.300 0.000 0.000 0.472 239 A N -0.568 122.250 122.820 -0.003 0.000 2.070 239 A HA -0.254 4.065 4.320 -0.001 0.000 0.220 239 A C 2.012 179.480 177.584 -0.194 0.000 1.159 239 A CA 1.427 53.407 52.037 -0.093 0.000 0.656 239 A CB -0.996 18.018 19.000 0.025 0.000 0.800 239 A HN 0.621 8.771 8.150 0.000 0.000 0.453 240 Q N -1.183 118.484 119.800 -0.221 0.000 2.344 240 Q HA 0.266 4.606 4.340 -0.001 0.000 0.212 240 Q C -0.244 175.591 176.000 -0.274 0.000 0.943 240 Q CA 0.005 55.685 55.803 -0.205 0.000 0.955 240 Q CB -0.243 28.395 28.738 -0.167 0.000 1.000 240 Q HN 0.653 8.923 8.270 0.000 0.000 0.488 241 M N -0.600 118.786 119.600 -0.356 0.000 2.327 241 M HA 0.477 4.956 4.480 -0.001 0.000 0.298 241 M C -0.290 175.816 176.300 -0.324 0.000 1.065 241 M CA -0.012 55.072 55.300 -0.361 0.000 0.916 241 M CB 2.234 34.537 32.600 -0.495 0.000 1.630 241 M HN 0.262 8.552 8.290 0.000 0.000 0.442 242 G N 1.666 110.315 108.800 -0.253 0.000 2.698 242 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.225 242 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.225 242 G C -0.471 174.337 174.900 -0.153 0.000 1.345 242 G CA -0.525 44.444 45.100 -0.218 0.000 0.871 242 G HN 0.732 9.022 8.290 0.000 0.000 0.540 243 T N -0.523 113.959 114.554 -0.121 0.000 2.773 243 T HA 0.379 4.729 4.350 -0.001 0.000 0.337 243 T C 1.543 176.220 174.700 -0.038 0.000 1.086 243 T CA 0.577 62.651 62.100 -0.043 0.000 0.998 243 T CB 0.756 69.649 68.868 0.042 0.000 1.281 243 T HN 0.721 8.961 8.240 0.000 0.000 0.525 244 E N -0.584 119.618 120.200 0.004 0.000 2.385 244 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 244 E C 1.492 178.088 176.600 -0.007 0.000 1.013 244 E CA 0.490 56.886 56.400 -0.007 0.000 0.866 244 E CB 0.167 29.868 29.700 0.003 0.000 0.832 244 E HN 0.499 8.859 8.360 0.000 0.000 0.500 245 Q N -0.792 119.012 119.800 0.006 0.000 2.211 245 Q HA 0.189 4.529 4.340 -0.001 0.000 0.242 245 Q C -0.222 175.781 176.000 0.004 0.000 0.825 245 Q CA -0.034 55.778 55.803 0.014 0.000 0.951 245 Q CB 1.496 30.256 28.738 0.037 0.000 1.130 245 Q HN -0.075 8.195 8.270 0.000 0.000 0.496 246 S N 1.775 117.442 115.700 -0.054 0.000 2.468 246 S HA 0.255 4.724 4.470 -0.001 0.000 0.190 246 S C -0.326 174.141 174.600 -0.222 0.000 1.445 246 S CA -0.439 57.644 58.200 -0.196 0.000 1.084 246 S CB 0.267 63.300 63.200 -0.277 0.000 1.175 246 S HN 0.055 8.365 8.310 0.000 0.000 0.484 247 K N 1.372 121.667 120.400 -0.175 0.000 2.138 247 K HA 0.608 4.927 4.320 -0.001 0.000 0.251 247 K C 1.122 177.411 176.600 -0.518 0.000 1.015 247 K CA 0.178 56.303 56.287 -0.270 0.000 0.917 247 K CB 0.282 32.698 32.500 -0.141 0.000 1.021 247 K HN 0.657 8.907 8.250 0.000 0.000 0.485 248 G N 0.433 108.664 108.800 -0.948 0.000 2.693 248 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.226 248 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.226 248 G C -0.181 174.350 174.900 -0.616 0.000 1.354 248 G CA 0.035 44.285 45.100 -1.417 0.000 0.873 248 G HN 0.613 8.903 8.290 0.000 0.000 0.562 249 M N -0.804 118.577 119.600 -0.364 0.000 2.706 249 M HA 0.990 5.469 4.480 -0.001 0.000 0.304 249 M C -0.451 175.795 176.300 -0.090 0.000 1.217 249 M CA -0.778 54.450 55.300 -0.120 0.000 0.922 249 M CB 1.838 34.515 32.600 0.130 0.000 1.637 249 M HN 1.010 9.300 8.290 0.000 0.000 0.492 250 K N 1.166 121.488 120.400 -0.131 0.000 2.527 250 K HA 0.609 4.929 4.320 -0.001 0.000 0.260 250 K C -2.179 174.207 176.600 -0.356 0.000 0.937 250 K CA -0.475 55.616 56.287 -0.327 0.000 0.826 250 K CB 1.576 33.667 32.500 -0.681 0.000 1.359 250 K HN 0.689 8.939 8.250 0.000 0.000 0.434 251 L N 4.910 125.924 121.223 -0.348 0.000 2.302 251 L HA 0.373 4.712 4.340 -0.001 0.000 0.285 251 L C -0.958 175.684 176.870 -0.379 0.000 1.090 251 L CA 0.055 54.703 54.840 -0.321 0.000 0.866 251 L CB -0.508 41.404 42.059 -0.245 0.000 1.244 251 L HN 0.494 8.724 8.230 0.000 0.000 0.435 252 Y N 2.744 122.915 120.300 -0.214 0.000 2.323 252 Y HA 0.576 5.126 4.550 -0.000 0.000 0.331 252 Y C 0.500 176.275 175.900 -0.209 0.000 1.092 252 Y CA -0.615 57.373 58.100 -0.187 0.000 1.150 252 Y CB 1.227 39.588 38.460 -0.166 0.000 1.200 252 Y HN 0.517 8.797 8.280 0.000 0.000 0.472 253 Q N 3.839 123.583 119.800 -0.092 0.000 2.397 253 Q HA 0.659 4.998 4.340 -0.001 0.000 0.275 253 Q C -1.749 174.223 176.000 -0.046 0.000 1.090 253 Q CA -0.931 54.740 55.803 -0.219 0.000 0.809 253 Q CB 3.317 31.547 28.738 -0.847 0.000 1.362 253 Q HN 0.888 9.158 8.270 0.000 0.000 0.431 254 I N 1.184 121.833 120.570 0.131 0.000 2.656 254 I HA 0.554 4.724 4.170 -0.001 0.000 0.292 254 I C -1.420 174.861 176.117 0.273 0.000 1.144 254 I CA -0.352 61.062 61.300 0.190 0.000 1.038 254 I CB 2.213 40.319 38.000 0.177 0.000 1.244 254 I HN 0.956 9.166 8.210 0.000 0.000 0.420 255 S N 4.533 120.362 115.700 0.216 0.000 2.588 255 S HA 1.046 5.516 4.470 -0.001 0.000 0.275 255 S C -0.316 174.345 174.600 0.100 0.000 1.130 255 S CA -0.211 58.104 58.200 0.193 0.000 0.855 255 S CB 1.843 65.192 63.200 0.249 0.000 1.116 255 S HN 1.435 9.745 8.310 0.000 0.000 0.472 256 G N 0.519 109.357 108.800 0.064 0.000 2.331 256 G HA2 0.199 4.159 3.960 -0.001 0.000 0.479 256 G HA3 0.199 4.159 3.960 -0.001 0.000 0.479 256 G C -3.443 171.464 174.900 0.010 0.000 1.262 256 G CA -0.861 44.252 45.100 0.022 0.000 1.029 256 G HN 0.659 8.949 8.290 0.000 0.000 0.487 257 P HA 0.460 4.880 4.420 0.000 0.000 0.220 257 P C -0.188 177.097 177.300 -0.025 0.000 1.806 257 P CA -0.082 63.008 63.100 -0.016 0.000 0.976 257 P CB 0.762 32.444 31.700 -0.030 0.000 1.952 258 V N 1.132 121.044 119.914 -0.004 0.000 2.975 258 V HA 0.272 4.392 4.120 -0.001 0.000 0.318 258 V C 1.799 177.908 176.094 0.025 0.000 1.077 258 V CA -0.705 61.591 62.300 -0.007 0.000 1.000 258 V CB 2.183 34.005 31.823 -0.002 0.000 1.066 258 V HN 0.076 8.266 8.190 0.000 0.000 0.452 259 K N 2.685 123.100 120.400 0.025 0.000 2.009 259 K HA -0.038 4.281 4.320 -0.001 0.000 0.210 259 K C 0.770 177.416 176.600 0.077 0.000 1.049 259 K CA 1.859 58.174 56.287 0.046 0.000 0.929 259 K CB 0.015 32.542 32.500 0.046 0.000 0.714 259 K HN 0.709 8.959 8.250 0.000 0.000 0.440 260 R N 0.794 121.363 120.500 0.115 0.000 2.607 260 R HA 0.363 4.703 4.340 -0.001 0.000 0.278 260 R C -2.863 173.589 176.300 0.254 0.000 1.637 260 R CA -1.704 54.495 56.100 0.166 0.000 1.325 260 R CB 1.258 31.671 30.300 0.188 0.000 1.211 260 R HN -0.010 8.260 8.270 0.000 0.000 0.565 261 P HA 0.346 4.766 4.420 0.000 0.000 0.270 261 P C 0.147 177.591 177.300 0.239 0.000 1.223 261 P CA 0.460 63.705 63.100 0.242 0.000 0.785 261 P CB 1.381 33.178 31.700 0.162 0.000 0.923 262 G N -0.616 108.357 108.800 0.290 0.000 2.339 262 G HA2 0.179 4.138 3.960 -0.001 0.000 0.275 262 G HA3 0.179 4.138 3.960 -0.001 0.000 0.275 262 G C -1.626 173.247 174.900 -0.046 0.000 1.323 262 G CA -0.617 44.581 45.100 0.162 0.000 0.927 262 G HN 0.415 8.705 8.290 0.000 0.000 0.486 263 V N 0.501 120.239 119.914 -0.292 0.000 2.481 263 V HA 0.678 4.798 4.120 -0.001 0.000 0.286 263 V C -1.002 174.609 176.094 -0.804 0.000 1.042 263 V CA -0.246 61.785 62.300 -0.447 0.000 0.928 263 V CB 0.914 32.509 31.823 -0.380 0.000 0.986 263 V HN 0.604 8.794 8.190 0.000 0.000 0.462 264 Y N 1.776 121.913 120.300 -0.271 0.000 2.322 264 Y HA 0.331 4.881 4.550 -0.000 0.000 0.324 264 Y C 0.208 175.920 175.900 -0.314 0.000 1.027 264 Y CA -0.565 57.330 58.100 -0.343 0.000 1.179 264 Y CB 1.481 39.676 38.460 -0.442 0.000 1.136 264 Y HN 0.633 8.913 8.280 0.000 0.000 0.449 265 E N 5.253 125.354 120.200 -0.165 0.000 2.166 265 E HA 0.378 4.728 4.350 -0.001 0.000 0.279 265 E C -1.294 175.328 176.600 0.036 0.000 1.095 265 E CA 0.114 56.487 56.400 -0.045 0.000 0.888 265 E CB 0.393 30.116 29.700 0.038 0.000 1.041 265 E HN 0.647 9.007 8.360 0.000 0.000 0.414 266 L N 5.838 127.071 121.223 0.016 0.000 2.303 266 L HA 0.600 4.940 4.340 -0.001 0.000 0.256 266 L C -2.274 174.434 176.870 -0.270 0.000 1.034 266 L CA -2.358 52.350 54.840 -0.220 0.000 0.832 266 L CB 2.268 44.202 42.059 -0.207 0.000 1.403 266 L HN 0.482 8.712 8.230 0.000 0.000 0.419 267 P HA 0.194 4.614 4.420 0.000 0.000 0.278 267 P C -0.850 176.333 177.300 -0.194 0.000 1.258 267 P CA -0.687 62.148 63.100 -0.442 0.000 0.811 267 P CB 0.849 32.176 31.700 -0.622 0.000 1.063 268 M N 1.229 120.711 119.600 -0.198 0.000 2.269 268 M HA 0.293 4.773 4.480 -0.001 0.000 0.350 268 M C 1.171 177.367 176.300 -0.173 0.000 1.429 268 M CA 2.033 57.241 55.300 -0.154 0.000 1.063 268 M CB -1.093 31.349 32.600 -0.265 0.000 1.841 268 M HN 0.801 9.091 8.290 0.000 0.000 0.455 269 G N 1.562 110.275 108.800 -0.144 0.000 2.612 269 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.200 269 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.200 269 G C 0.350 175.117 174.900 -0.222 0.000 1.053 269 G CA 0.013 44.993 45.100 -0.199 0.000 0.707 269 G HN 0.993 9.283 8.290 0.000 0.000 0.497 270 T N 1.158 115.568 114.554 -0.239 0.000 2.923 270 T HA 0.377 4.727 4.350 -0.001 0.000 0.320 270 T C 0.829 175.369 174.700 -0.268 0.000 1.074 270 T CA 1.719 63.672 62.100 -0.244 0.000 1.131 270 T CB 0.857 69.569 68.868 -0.260 0.000 1.058 270 T HN 1.672 9.912 8.240 0.000 0.000 0.535 271 T N 2.195 116.653 114.554 -0.160 0.000 2.899 271 T HA 0.374 4.723 4.350 -0.001 0.000 0.284 271 T C 1.002 175.685 174.700 -0.029 0.000 1.004 271 T CA -0.775 61.302 62.100 -0.039 0.000 1.043 271 T CB 0.282 69.154 68.868 0.007 0.000 1.013 271 T HN 0.522 8.762 8.240 0.000 0.000 0.518 272 F N 0.932 120.827 119.950 -0.092 0.000 2.171 272 F HA 0.124 4.651 4.527 -0.001 0.000 0.300 272 F C 2.770 178.571 175.800 0.003 0.000 1.090 272 F CA 1.234 59.205 58.000 -0.049 0.000 1.293 272 F CB -0.611 38.389 39.000 0.000 0.000 1.013 272 F HN 0.594 8.894 8.300 0.000 0.000 0.486 273 R N 0.835 121.476 120.500 0.236 0.000 2.105 273 R HA -0.235 4.104 4.340 -0.001 0.000 0.239 273 R C 2.191 178.593 176.300 0.170 0.000 1.135 273 R CA 1.966 58.199 56.100 0.220 0.000 0.967 273 R CB -0.419 29.947 30.300 0.110 0.000 0.861 273 R HN 0.438 8.708 8.270 0.000 0.000 0.442 274 E N 0.447 120.682 120.200 0.057 0.000 2.031 274 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 274 E C 2.121 178.741 176.600 0.032 0.000 0.994 274 E CA 1.300 57.695 56.400 -0.007 0.000 0.800 274 E CB -0.166 29.515 29.700 -0.032 0.000 0.752 274 E HN 0.436 8.796 8.360 0.000 0.000 0.447 275 L N 0.553 121.807 121.223 0.052 0.000 1.994 275 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 275 L C 2.420 179.302 176.870 0.021 0.000 1.071 275 L CA 1.297 56.179 54.840 0.071 0.000 0.745 275 L CB -0.182 41.808 42.059 -0.114 0.000 0.892 275 L HN 0.264 8.494 8.230 0.000 0.000 0.431 276 I N -1.532 119.045 120.570 0.012 0.000 2.361 276 I HA -0.308 3.861 4.170 -0.001 0.000 0.251 276 I C 1.646 177.625 176.117 -0.230 0.000 1.133 276 I CA 1.374 62.619 61.300 -0.091 0.000 1.413 276 I CB -0.190 37.760 38.000 -0.083 0.000 1.073 276 I HN 0.269 8.479 8.210 0.000 0.000 0.424 277 Y N 0.140 120.440 120.300 0.000 0.000 2.488 277 Y HA 0.034 4.584 4.550 -0.000 0.000 0.262 277 Y C 2.531 178.352 175.900 -0.132 0.000 1.108 277 Y CA 0.122 58.197 58.100 -0.041 0.000 1.299 277 Y CB -0.553 37.885 38.460 -0.038 0.000 1.231 277 Y HN -0.098 8.182 8.280 0.000 0.000 0.507 278 E N -0.095 120.053 120.200 -0.086 0.000 2.065 278 E HA -0.273 4.077 4.350 -0.001 0.000 0.201 278 E C 1.855 178.180 176.600 -0.459 0.000 1.016 278 E CA 2.178 58.342 56.400 -0.394 0.000 0.818 278 E CB -0.914 28.341 29.700 -0.742 0.000 0.749 278 E HN 0.577 8.937 8.360 0.000 0.000 0.453 279 W N 0.776 121.951 121.300 -0.208 0.000 2.619 279 W HA 0.222 4.881 4.660 -0.000 0.000 0.309 279 W C 2.705 178.991 176.519 -0.388 0.000 1.126 279 W CA 0.275 57.366 57.345 -0.423 0.000 1.472 279 W CB -0.681 28.271 29.460 -0.847 0.000 1.164 279 W HN 0.020 8.200 8.180 0.000 0.000 0.503 280 A N 0.452 123.198 122.820 -0.122 0.000 2.178 280 A HA 0.197 4.517 4.320 -0.001 0.000 0.218 280 A C 1.803 179.406 177.584 0.031 0.000 1.157 280 A CA 1.572 53.605 52.037 -0.007 0.000 0.689 280 A CB -1.428 17.582 19.000 0.016 0.000 0.787 280 A HN 0.865 9.015 8.150 0.000 0.000 0.465 281 G N -2.664 106.144 108.800 0.013 0.000 2.143 281 G HA2 0.234 4.194 3.960 -0.001 0.000 0.249 281 G HA3 0.234 4.194 3.960 -0.001 0.000 0.249 281 G C 1.358 176.284 174.900 0.044 0.000 0.981 281 G CA 0.485 45.608 45.100 0.039 0.000 0.665 281 G HN 2.398 10.688 8.290 0.000 0.000 0.528 282 G N -1.146 107.631 108.800 -0.038 0.000 2.825 282 G HA2 0.157 4.117 3.960 -0.001 0.000 0.684 282 G HA3 0.157 4.117 3.960 -0.001 0.000 0.684 282 G C -1.454 173.379 174.900 -0.111 0.000 1.528 282 G CA 0.041 45.036 45.100 -0.175 0.000 0.963 282 G HN 0.784 9.074 8.290 0.000 0.000 0.577 283 P HA 0.309 4.729 4.420 0.000 0.000 0.271 283 P C 1.069 178.363 177.300 -0.010 0.000 1.238 283 P CA -0.039 63.011 63.100 -0.084 0.000 0.794 283 P CB 0.249 31.882 31.700 -0.112 0.000 0.959 284 L N -1.829 119.386 121.223 -0.014 0.000 2.878 284 L HA 0.327 4.667 4.340 -0.001 0.000 0.253 284 L C 0.822 177.694 176.870 0.004 0.000 1.135 284 L CA 0.239 55.083 54.840 0.007 0.000 0.943 284 L CB 0.051 42.114 42.059 0.006 0.000 1.307 284 L HN 0.252 8.482 8.230 0.000 0.000 0.545 285 E N 0.300 120.491 120.200 -0.014 0.000 2.392 285 E HA 0.449 4.799 4.350 -0.001 0.000 0.269 285 E C -2.566 174.017 176.600 -0.028 0.000 0.924 285 E CA -1.986 54.404 56.400 -0.016 0.000 0.784 285 E CB 1.869 31.551 29.700 -0.029 0.000 1.292 285 E HN -0.268 8.092 8.360 0.000 0.000 0.447 286 P HA 0.200 4.620 4.420 0.000 0.000 0.271 286 P C -0.601 176.643 177.300 -0.093 0.000 1.220 286 P CA -0.094 63.001 63.100 -0.009 0.000 0.768 286 P CB 0.302 32.020 31.700 0.030 0.000 0.848 287 I N 2.803 123.233 120.570 -0.234 0.000 2.577 287 I HA 0.228 4.397 4.170 -0.001 0.000 0.305 287 I C 1.453 177.442 176.117 -0.213 0.000 0.986 287 I CA 0.071 61.096 61.300 -0.460 0.000 1.189 287 I CB 1.542 38.813 38.000 -1.216 0.000 1.355 287 I HN 0.446 8.656 8.210 0.000 0.000 0.476 288 Q N 4.096 123.845 119.800 -0.085 0.000 2.211 288 Q HA 0.727 5.067 4.340 -0.001 0.000 0.242 288 Q C -0.175 175.973 176.000 0.247 0.000 0.825 288 Q CA -0.139 55.754 55.803 0.150 0.000 0.951 288 Q CB 1.109 29.951 28.738 0.173 0.000 1.130 288 Q HN 0.621 8.891 8.270 0.000 0.000 0.496 289 A N 1.251 124.131 122.820 0.101 0.000 2.544 289 A HA 0.666 4.985 4.320 -0.001 0.000 0.291 289 A C -1.788 175.841 177.584 0.074 0.000 1.055 289 A CA -0.725 51.409 52.037 0.161 0.000 0.651 289 A CB 1.071 20.168 19.000 0.162 0.000 1.296 289 A HN 0.503 8.653 8.150 0.000 0.000 0.431 290 I N -1.030 119.611 120.570 0.118 0.000 2.722 290 I HA 0.704 4.874 4.170 -0.001 0.000 0.295 290 I C -1.529 174.663 176.117 0.124 0.000 1.161 290 I CA -1.011 60.361 61.300 0.120 0.000 1.032 290 I CB 1.930 40.051 38.000 0.202 0.000 1.244 290 I HN 0.550 8.760 8.210 0.000 0.000 0.421 291 I N 7.599 128.244 120.570 0.125 0.000 2.307 291 I HA 0.317 4.487 4.170 -0.001 0.000 0.287 291 I C -1.593 174.636 176.117 0.186 0.000 1.054 291 I CA -1.809 59.570 61.300 0.131 0.000 1.218 291 I CB 1.084 39.139 38.000 0.091 0.000 1.398 291 I HN 0.463 8.673 8.210 0.000 0.000 0.475 292 P HA -0.159 4.261 4.420 0.000 0.000 0.208 292 P C 1.163 178.596 177.300 0.223 0.000 1.189 292 P CA 1.665 64.977 63.100 0.354 0.000 0.931 292 P CB 0.404 32.315 31.700 0.351 0.000 0.783 293 G N -0.730 108.177 108.800 0.178 0.000 2.549 293 G HA2 0.334 4.294 3.960 -0.001 0.000 0.219 293 G HA3 0.334 4.294 3.960 -0.001 0.000 0.219 293 G C 0.989 175.956 174.900 0.112 0.000 1.677 293 G CA 0.723 45.905 45.100 0.138 0.000 0.929 293 G HN 0.515 8.805 8.290 0.000 0.000 0.549 294 G N -1.008 107.865 108.800 0.121 0.000 2.849 294 G HA2 0.348 4.308 3.960 -0.001 0.000 0.174 294 G HA3 0.348 4.308 3.960 -0.001 0.000 0.174 294 G C 1.342 176.300 174.900 0.096 0.000 1.370 294 G CA 1.081 46.246 45.100 0.109 0.000 1.040 294 G HN 0.640 8.930 8.290 0.000 0.000 0.582 295 S N -1.134 114.603 115.700 0.060 0.000 2.446 295 S HA -0.027 4.443 4.470 -0.001 0.000 0.225 295 S C 2.185 176.894 174.600 0.181 0.000 1.016 295 S CA 1.631 59.851 58.200 0.034 0.000 0.943 295 S CB -0.277 62.811 63.200 -0.187 0.000 0.786 295 S HN 0.293 8.603 8.310 0.000 0.000 0.508 296 S N 1.667 117.525 115.700 0.263 0.000 2.515 296 S HA 0.038 4.507 4.470 -0.001 0.000 0.231 296 S C 0.876 175.669 174.600 0.323 0.000 0.987 296 S CA 0.869 59.285 58.200 0.360 0.000 0.936 296 S CB -0.388 63.059 63.200 0.410 0.000 0.766 296 S HN 0.882 9.192 8.310 0.000 0.000 0.528 297 T N 1.526 116.214 114.554 0.224 0.000 2.889 297 T HA 0.438 4.788 4.350 -0.001 0.000 0.291 297 T C -3.106 171.685 174.700 0.153 0.000 0.995 297 T CA -2.360 59.836 62.100 0.159 0.000 1.092 297 T CB 1.090 70.033 68.868 0.125 0.000 0.954 297 T HN -0.159 8.081 8.240 0.000 0.000 0.506 298 P HA 0.253 4.673 4.420 0.000 0.000 0.271 298 P C -2.389 174.986 177.300 0.125 0.000 1.216 298 P CA -1.368 61.815 63.100 0.140 0.000 0.771 298 P CB -0.245 31.518 31.700 0.105 0.000 0.864 299 P HA 0.158 4.578 4.420 0.000 0.000 0.275 299 P C -0.755 176.575 177.300 0.051 0.000 1.227 299 P CA 0.305 63.467 63.100 0.103 0.000 0.781 299 P CB 0.809 32.561 31.700 0.088 0.000 0.906 300 L N 4.603 125.828 121.223 0.003 0.000 2.334 300 L HA 0.472 4.812 4.340 -0.001 0.000 0.276 300 L C -2.194 174.653 176.870 -0.039 0.000 1.014 300 L CA -2.722 52.044 54.840 -0.123 0.000 0.815 300 L CB 1.868 43.849 42.059 -0.129 0.000 1.268 300 L HN 0.152 8.382 8.230 0.000 0.000 0.428 301 P HA -0.026 4.394 4.420 0.000 0.000 0.269 301 P C -0.650 176.722 177.300 0.120 0.000 1.215 301 P CA -0.210 62.917 63.100 0.045 0.000 0.780 301 P CB 0.361 32.005 31.700 -0.092 0.000 0.898 302 F N 2.506 122.474 119.950 0.031 0.000 2.652 302 F HA 0.206 4.732 4.527 -0.001 0.000 0.352 302 F C 0.489 176.293 175.800 0.008 0.000 1.259 302 F CA 0.073 58.086 58.000 0.020 0.000 1.249 302 F CB -0.963 38.069 39.000 0.053 0.000 1.628 302 F HN 0.132 8.432 8.300 0.000 0.000 0.654 303 T N -0.264 114.171 114.554 -0.197 0.000 2.942 303 T HA 0.330 4.679 4.350 -0.001 0.000 0.289 303 T C 1.030 175.566 174.700 -0.273 0.000 1.044 303 T CA -0.733 61.248 62.100 -0.197 0.000 1.023 303 T CB 1.656 70.459 68.868 -0.108 0.000 1.123 303 T HN 0.276 8.516 8.240 0.000 0.000 0.512 304 E N 0.767 120.845 120.200 -0.204 0.000 2.051 304 E HA -0.161 4.189 4.350 -0.001 0.000 0.192 304 E C 1.686 178.199 176.600 -0.146 0.000 0.991 304 E CA 1.272 57.564 56.400 -0.180 0.000 0.799 304 E CB -0.210 29.413 29.700 -0.128 0.000 0.748 304 E HN 0.915 9.275 8.360 0.000 0.000 0.449 305 E N 0.798 120.927 120.200 -0.118 0.000 2.401 305 E HA -0.118 4.232 4.350 -0.001 0.000 0.199 305 E C 1.790 178.316 176.600 -0.122 0.000 1.023 305 E CA 0.415 56.758 56.400 -0.094 0.000 0.859 305 E CB 0.319 29.977 29.700 -0.069 0.000 0.780 305 E HN 0.008 8.368 8.360 0.000 0.000 0.523 306 V N 0.433 120.241 119.914 -0.177 0.000 2.436 306 V HA -0.151 3.969 4.120 -0.001 0.000 0.240 306 V C 2.282 178.190 176.094 -0.310 0.000 1.040 306 V CA 0.747 62.886 62.300 -0.269 0.000 1.052 306 V CB -0.343 31.318 31.823 -0.270 0.000 0.707 306 V HN 0.291 8.481 8.190 0.000 0.000 0.469 307 L N 0.204 121.287 121.223 -0.234 0.000 2.197 307 L HA -0.247 4.093 4.340 -0.001 0.000 0.215 307 L C 1.704 178.563 176.870 -0.019 0.000 1.095 307 L CA 1.533 56.309 54.840 -0.107 0.000 0.764 307 L CB -0.371 41.605 42.059 -0.138 0.000 0.897 307 L HN 0.431 8.661 8.230 0.000 0.000 0.436 308 D N -1.165 119.200 120.400 -0.058 0.000 2.340 308 D HA 0.055 4.694 4.640 -0.001 0.000 0.217 308 D C 0.314 176.617 176.300 0.005 0.000 1.081 308 D CA 0.208 54.195 54.000 -0.021 0.000 0.842 308 D CB 0.315 41.090 40.800 -0.043 0.000 0.934 308 D HN 0.241 8.611 8.370 0.000 0.000 0.511 309 T N 2.349 116.913 114.554 0.016 0.000 2.832 309 T HA 0.267 4.617 4.350 -0.001 0.000 0.296 309 T C -2.522 172.284 174.700 0.178 0.000 0.968 309 T CA -1.510 60.630 62.100 0.066 0.000 1.107 309 T CB 1.605 70.467 68.868 -0.010 0.000 0.916 309 T HN -0.084 8.156 8.240 0.000 0.000 0.517 310 P HA 0.171 4.591 4.420 0.000 0.000 0.275 310 P C -0.012 177.275 177.300 -0.022 0.000 1.276 310 P CA -0.382 62.628 63.100 -0.150 0.000 0.782 310 P CB -0.010 31.369 31.700 -0.533 0.000 0.851 311 M N 2.635 122.212 119.600 -0.038 0.000 2.802 311 M HA 0.108 4.588 4.480 -0.001 0.000 0.335 311 M C 0.414 176.751 176.300 0.062 0.000 1.744 311 M CA 0.881 56.150 55.300 -0.051 0.000 1.363 311 M CB -1.123 31.147 32.600 -0.549 0.000 1.965 311 M HN 0.333 8.623 8.290 0.000 0.000 0.460 312 S N 1.526 117.331 115.700 0.175 0.000 2.651 312 S HA 0.465 4.935 4.470 -0.001 0.000 0.279 312 S C -0.246 174.557 174.600 0.339 0.000 1.148 312 S CA -1.007 57.297 58.200 0.173 0.000 0.837 312 S CB 1.016 64.297 63.200 0.134 0.000 1.138 312 S HN 0.506 8.816 8.310 0.000 0.000 0.478 313 Y N 2.136 122.496 120.300 0.099 0.000 2.497 313 Y HA 0.199 4.748 4.550 -0.001 0.000 0.345 313 Y C 1.649 177.584 175.900 0.058 0.000 1.204 313 Y CA 0.226 58.365 58.100 0.065 0.000 1.265 313 Y CB -1.436 37.045 38.460 0.035 0.000 1.121 313 Y HN 0.935 9.215 8.280 0.000 0.000 0.493 314 E N -3.631 116.712 120.200 0.240 0.000 2.321 314 E HA -0.066 4.284 4.350 -0.001 0.000 0.256 314 E C 0.926 177.559 176.600 0.055 0.000 1.101 314 E CA 0.069 56.534 56.400 0.108 0.000 1.790 314 E CB -0.467 29.270 29.700 0.061 0.000 3.331 314 E HN 0.338 8.698 8.360 0.000 0.000 1.027 315 H N 1.480 120.595 119.070 0.076 0.000 2.421 315 H HA 0.138 4.694 4.556 -0.001 0.000 0.298 315 H C 2.112 177.486 175.328 0.077 0.000 1.087 315 H CA 1.724 57.812 56.048 0.066 0.000 1.330 315 H CB 0.126 29.933 29.762 0.075 0.000 1.388 315 H HN 0.064 8.344 8.280 0.000 0.000 0.526 316 L N -0.351 121.017 121.223 0.241 0.000 2.049 316 L HA -0.140 4.199 4.340 -0.001 0.000 0.203 316 L C 2.597 179.522 176.870 0.091 0.000 1.074 316 L CA 1.012 55.962 54.840 0.184 0.000 0.749 316 L CB -0.365 41.843 42.059 0.247 0.000 0.907 316 L HN 0.196 8.426 8.230 0.000 0.000 0.439 317 Q N 1.187 121.030 119.800 0.073 0.000 2.028 317 Q HA -0.279 4.061 4.340 -0.001 0.000 0.213 317 Q C 1.611 177.604 176.000 -0.011 0.000 1.017 317 Q CA 2.602 58.409 55.803 0.006 0.000 0.875 317 Q CB -0.579 28.164 28.738 0.007 0.000 0.962 317 Q HN 0.417 8.687 8.270 0.000 0.000 0.413 318 A N -0.866 121.949 122.820 -0.008 0.000 2.346 318 A HA 0.165 4.484 4.320 -0.001 0.000 0.242 318 A C 0.963 178.544 177.584 -0.004 0.000 1.323 318 A CA 0.481 52.506 52.037 -0.020 0.000 0.940 318 A CB -0.360 18.614 19.000 -0.042 0.000 0.943 318 A HN 0.284 8.434 8.150 0.000 0.000 0.501 319 K N -1.274 119.133 120.400 0.011 0.000 2.592 319 K HA 0.389 4.709 4.320 -0.001 0.000 0.203 319 K C 1.055 177.671 176.600 0.027 0.000 1.070 319 K CA 0.718 57.016 56.287 0.019 0.000 1.062 319 K CB 0.131 32.645 32.500 0.025 0.000 0.814 319 K HN 0.574 8.824 8.250 0.000 0.000 0.502 320 G N -0.514 108.296 108.800 0.016 0.000 2.729 320 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.216 320 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.216 320 G C 0.644 175.531 174.900 -0.022 0.000 1.252 320 G CA 0.380 45.495 45.100 0.026 0.000 0.751 320 G HN 0.375 8.665 8.290 0.000 0.000 0.527 321 S N 0.252 115.950 115.700 -0.005 0.000 2.389 321 S HA 0.881 5.350 4.470 -0.001 0.000 0.230 321 S C 0.259 174.829 174.600 -0.050 0.000 1.197 321 S CA 1.064 59.250 58.200 -0.024 0.000 1.092 321 S CB 0.062 63.288 63.200 0.043 0.000 1.050 321 S HN 1.496 9.806 8.310 0.000 0.000 0.466 322 M N 0.460 120.064 119.600 0.007 0.000 2.822 322 M HA 0.367 4.846 4.480 -0.001 0.000 0.275 322 M C -2.080 174.272 176.300 0.086 0.000 1.084 322 M CA -0.567 54.736 55.300 0.005 0.000 0.814 322 M CB 1.273 33.807 32.600 -0.109 0.000 1.693 322 M HN 0.444 8.734 8.290 0.000 0.000 0.531 323 L N 2.549 123.840 121.223 0.112 0.000 2.259 323 L HA 0.586 4.926 4.340 -0.001 0.000 0.288 323 L C 0.669 177.595 176.870 0.093 0.000 1.051 323 L CA 0.235 55.186 54.840 0.185 0.000 0.824 323 L CB 1.087 43.381 42.059 0.392 0.000 1.206 323 L HN 1.058 9.288 8.230 0.000 0.000 0.429 324 G N 1.829 110.688 108.800 0.099 0.000 2.583 324 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.215 324 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.215 324 G C 0.948 175.898 174.900 0.084 0.000 1.481 324 G CA 0.937 46.084 45.100 0.079 0.000 0.948 324 G HN 0.593 8.883 8.290 0.000 0.000 0.511 325 T N -2.809 111.791 114.554 0.077 0.000 3.054 325 T HA 0.418 4.768 4.350 -0.001 0.000 0.255 325 T C 1.609 176.295 174.700 -0.024 0.000 1.035 325 T CA 0.994 63.120 62.100 0.043 0.000 0.941 325 T CB 0.579 69.481 68.868 0.057 0.000 1.026 325 T HN 1.682 9.922 8.240 0.000 0.000 0.533 326 G N 0.983 109.784 108.800 0.001 0.000 2.160 326 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.251 326 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.251 326 G C 0.379 175.282 174.900 0.005 0.000 1.008 326 G CA -0.329 44.759 45.100 -0.020 0.000 0.724 326 G HN 1.072 9.362 8.290 0.000 0.000 0.514 327 G N -0.002 108.802 108.800 0.006 0.000 2.857 327 G HA2 0.616 4.576 3.960 -0.001 0.000 0.326 327 G HA3 0.616 4.576 3.960 -0.001 0.000 0.326 327 G C 0.282 175.216 174.900 0.058 0.000 0.950 327 G CA 0.062 45.154 45.100 -0.014 0.000 1.400 327 G HN 0.856 9.146 8.290 0.000 0.000 0.473 328 V N 3.182 123.141 119.914 0.075 0.000 2.775 328 V HA 0.420 4.540 4.120 -0.001 0.000 0.299 328 V C 0.420 176.581 176.094 0.111 0.000 1.062 328 V CA -0.230 62.140 62.300 0.116 0.000 1.063 328 V CB 1.263 33.161 31.823 0.126 0.000 0.994 328 V HN 0.509 8.699 8.190 0.000 0.000 0.483 329 I N 4.273 124.905 120.570 0.104 0.000 2.534 329 I HA 0.402 4.572 4.170 -0.001 0.000 0.288 329 I C -0.790 175.356 176.117 0.048 0.000 1.077 329 I CA -0.471 60.874 61.300 0.074 0.000 1.051 329 I CB 1.911 39.941 38.000 0.051 0.000 1.234 329 I HN 0.381 8.591 8.210 0.000 0.000 0.425 330 L N 6.257 127.488 121.223 0.014 0.000 2.312 330 L HA 0.581 4.921 4.340 -0.001 0.000 0.281 330 L C -0.345 176.480 176.870 -0.074 0.000 1.070 330 L CA -0.577 54.232 54.840 -0.052 0.000 0.805 330 L CB 1.170 43.157 42.059 -0.120 0.000 1.174 330 L HN 0.412 8.642 8.230 0.000 0.000 0.434 331 I N 4.182 124.693 120.570 -0.099 0.000 2.362 331 I HA 0.349 4.519 4.170 -0.001 0.000 0.289 331 I C -2.246 173.802 176.117 -0.114 0.000 0.994 331 I CA -2.058 59.188 61.300 -0.090 0.000 1.158 331 I CB 1.969 39.918 38.000 -0.085 0.000 1.315 331 I HN 0.333 8.543 8.210 0.000 0.000 0.451 332 P HA 0.162 4.582 4.420 0.000 0.000 0.280 332 P C 0.123 177.396 177.300 -0.045 0.000 1.244 332 P CA -0.192 62.859 63.100 -0.082 0.000 0.784 332 P CB 1.136 32.803 31.700 -0.056 0.000 0.913 333 E N 1.834 122.020 120.200 -0.023 0.000 2.219 333 E HA -0.231 4.119 4.350 -0.001 0.000 0.198 333 E C 1.834 178.440 176.600 0.011 0.000 0.998 333 E CA 1.061 57.471 56.400 0.016 0.000 0.818 333 E CB -0.163 29.561 29.700 0.040 0.000 0.741 333 E HN 0.444 8.804 8.360 0.000 0.000 0.477 334 R N 0.621 121.122 120.500 0.001 0.000 2.293 334 R HA -0.038 4.302 4.340 -0.001 0.000 0.219 334 R C -0.114 176.187 176.300 0.002 0.000 1.091 334 R CA 0.377 56.480 56.100 0.005 0.000 1.004 334 R CB 0.326 30.628 30.300 0.004 0.000 0.865 334 R HN -0.093 8.177 8.270 0.000 0.000 0.469 335 V N -0.091 119.818 119.914 -0.009 0.000 2.604 335 V HA 0.167 4.286 4.120 -0.001 0.000 0.305 335 V C -0.425 175.654 176.094 -0.024 0.000 1.043 335 V CA -0.785 61.505 62.300 -0.016 0.000 0.888 335 V CB 1.815 33.622 31.823 -0.028 0.000 0.995 335 V HN 0.028 8.218 8.190 0.000 0.000 0.429 336 S N 4.669 120.357 115.700 -0.020 0.000 2.505 336 S HA 0.195 4.664 4.470 -0.001 0.000 0.276 336 S C 1.331 175.882 174.600 -0.081 0.000 1.274 336 S CA -0.580 57.596 58.200 -0.040 0.000 1.053 336 S CB 0.422 63.606 63.200 -0.027 0.000 0.919 336 S HN 0.646 8.956 8.310 0.000 0.000 0.490 337 M N 4.710 124.217 119.600 -0.155 0.000 2.260 337 M HA -0.105 4.375 4.480 -0.001 0.000 0.261 337 M C 1.905 178.112 176.300 -0.156 0.000 1.066 337 M CA 1.217 56.375 55.300 -0.237 0.000 1.082 337 M CB -1.179 31.116 32.600 -0.508 0.000 1.388 337 M HN 0.629 8.919 8.290 0.000 0.000 0.419 338 V N 0.354 120.121 119.914 -0.246 0.000 2.261 338 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 338 V C 2.043 178.238 176.094 0.168 0.000 1.047 338 V CA 2.348 64.515 62.300 -0.221 0.000 1.015 338 V CB -0.796 30.805 31.823 -0.369 0.000 0.642 338 V HN 0.381 8.571 8.190 0.000 0.000 0.446 339 D N 0.089 120.572 120.400 0.138 0.000 2.104 339 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 339 D C 2.137 178.514 176.300 0.128 0.000 0.994 339 D CA 1.595 55.726 54.000 0.219 0.000 0.830 339 D CB -0.261 40.608 40.800 0.114 0.000 0.959 339 D HN 0.360 8.730 8.370 0.000 0.000 0.452 340 A N 0.240 123.082 122.820 0.037 0.000 1.940 340 A HA -0.256 4.064 4.320 -0.001 0.000 0.221 340 A C 2.130 179.720 177.584 0.010 0.000 1.190 340 A CA 2.543 54.576 52.037 -0.006 0.000 0.647 340 A CB -0.535 18.436 19.000 -0.048 0.000 0.821 340 A HN 0.368 8.518 8.150 0.000 0.000 0.457 341 M N -3.286 116.341 119.600 0.046 0.000 2.534 341 M HA 0.056 4.536 4.480 -0.001 0.000 0.263 341 M C 1.983 178.111 176.300 -0.287 0.000 1.152 341 M CA 0.037 55.302 55.300 -0.058 0.000 1.145 341 M CB -1.406 31.224 32.600 0.050 0.000 1.333 341 M HN 0.757 9.047 8.290 0.000 0.000 0.477 342 W N 3.271 124.353 121.300 -0.362 0.000 2.290 342 W HA -0.338 4.322 4.660 -0.001 0.000 0.318 342 W C 2.272 178.669 176.519 -0.204 0.000 1.248 342 W CA 1.686 58.876 57.345 -0.258 0.000 1.263 342 W CB -0.176 29.315 29.460 0.053 0.000 1.147 342 W HN 0.378 8.558 8.180 0.000 0.000 0.494 343 N N 0.667 119.410 118.700 0.072 0.000 2.022 343 N HA -0.222 4.517 4.740 -0.001 0.000 0.194 343 N C 1.913 177.415 175.510 -0.014 0.000 1.057 343 N CA 2.270 55.276 53.050 -0.073 0.000 0.849 343 N CB -0.966 37.457 38.487 -0.107 0.000 1.044 343 N HN 0.267 8.647 8.380 0.000 0.000 0.424 344 L N 0.655 121.867 121.223 -0.018 0.000 2.081 344 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 344 L C 2.638 179.629 176.870 0.202 0.000 1.080 344 L CA 2.049 56.900 54.840 0.018 0.000 0.754 344 L CB -0.880 41.207 42.059 0.047 0.000 0.893 344 L HN 0.488 8.718 8.230 0.000 0.000 0.433 345 T N -2.407 112.228 114.554 0.135 0.000 2.985 345 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 345 T C 1.816 176.655 174.700 0.231 0.000 1.076 345 T CA 0.651 62.884 62.100 0.223 0.000 1.135 345 T CB -0.298 68.551 68.868 -0.031 0.000 0.890 345 T HN 0.472 8.712 8.240 0.000 0.000 0.480 346 R N -0.274 120.341 120.500 0.192 0.000 2.276 346 R HA 0.172 4.511 4.340 -0.001 0.000 0.203 346 R C 2.043 178.401 176.300 0.097 0.000 1.017 346 R CA 0.513 56.717 56.100 0.173 0.000 1.010 346 R CB -0.826 29.564 30.300 0.150 0.000 0.900 346 R HN 0.464 8.734 8.270 0.000 0.000 0.469 347 F N 0.893 120.799 119.950 -0.073 0.000 2.128 347 F HA -0.053 4.474 4.527 -0.000 0.000 0.295 347 F C 1.247 176.956 175.800 -0.153 0.000 1.100 347 F CA 1.068 58.954 58.000 -0.190 0.000 1.260 347 F CB -0.097 38.673 39.000 -0.383 0.000 1.009 347 F HN -0.157 8.143 8.300 0.000 0.000 0.476 348 Y N 0.532 120.880 120.300 0.081 0.000 2.314 348 Y HA 0.038 4.587 4.550 -0.001 0.000 0.293 348 Y C 2.588 178.458 175.900 -0.051 0.000 1.129 348 Y CA 0.949 59.032 58.100 -0.028 0.000 1.201 348 Y CB -1.160 37.382 38.460 0.137 0.000 0.999 348 Y HN 0.200 8.480 8.280 0.000 0.000 0.541 349 A N -0.443 122.474 122.820 0.162 0.000 1.902 349 A HA -0.296 4.024 4.320 -0.001 0.000 0.217 349 A C 1.940 179.556 177.584 0.054 0.000 1.181 349 A CA 2.158 54.268 52.037 0.121 0.000 0.623 349 A CB -1.087 18.003 19.000 0.150 0.000 0.818 349 A HN 0.589 8.739 8.150 0.000 0.000 0.443 350 H N -0.377 118.632 119.070 -0.102 0.000 2.353 350 H HA -0.055 4.501 4.556 -0.001 0.000 0.300 350 H C 1.615 176.848 175.328 -0.159 0.000 1.090 350 H CA 1.922 57.882 56.048 -0.146 0.000 1.327 350 H CB 0.147 29.774 29.762 -0.224 0.000 1.383 350 H HN 0.393 8.673 8.280 0.000 0.000 0.508 351 E N 0.135 120.210 120.200 -0.209 0.000 2.474 351 E HA 0.012 4.362 4.350 -0.001 0.000 0.194 351 E C 0.468 177.037 176.600 -0.051 0.000 1.041 351 E CA 0.140 56.425 56.400 -0.192 0.000 0.874 351 E CB 0.111 29.637 29.700 -0.290 0.000 0.914 351 E HN 0.254 8.614 8.360 0.000 0.000 0.498 352 S N 1.062 116.749 115.700 -0.021 0.000 2.546 352 S HA -0.062 4.407 4.470 -0.001 0.000 0.290 352 S C 1.678 176.262 174.600 -0.027 0.000 1.290 352 S CA 0.041 58.250 58.200 0.014 0.000 1.069 352 S CB 0.486 63.701 63.200 0.024 0.000 0.846 352 S HN 0.434 8.744 8.310 0.000 0.000 0.495 353 C N 3.529 122.822 119.300 -0.013 0.000 2.456 353 C HA 0.399 4.859 4.460 -0.001 0.000 0.279 353 C C 1.982 176.945 174.990 -0.045 0.000 1.427 353 C CA 0.293 59.290 59.018 -0.035 0.000 1.778 353 C CB -1.770 25.954 27.740 -0.026 0.000 1.842 353 C HN 1.617 9.847 8.230 0.000 0.000 0.531 354 G N 0.800 109.579 108.800 -0.035 0.000 2.175 354 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.244 354 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.244 354 G C 0.930 175.798 174.900 -0.054 0.000 0.982 354 G CA 0.668 45.744 45.100 -0.041 0.000 0.641 354 G HN 0.689 8.979 8.290 0.000 0.000 0.527 355 K N -0.280 120.078 120.400 -0.070 0.000 2.103 355 K HA 0.106 4.425 4.320 -0.001 0.000 0.204 355 K C 0.983 177.517 176.600 -0.111 0.000 1.052 355 K CA 1.354 57.567 56.287 -0.122 0.000 0.945 355 K CB -0.168 32.216 32.500 -0.194 0.000 0.722 355 K HN 0.472 8.722 8.250 0.000 0.000 0.443 356 C N 1.287 120.553 119.300 -0.056 0.000 2.388 356 C HA 0.207 4.667 4.460 -0.001 0.000 0.362 356 C C 1.700 176.683 174.990 -0.012 0.000 1.266 356 C CA -0.910 58.094 59.018 -0.023 0.000 2.028 356 C CB 1.241 28.994 27.740 0.023 0.000 2.440 356 C HN 0.515 8.745 8.230 0.000 0.000 0.547 357 T N 3.964 118.512 114.554 -0.010 0.000 2.652 357 T HA -0.124 4.226 4.350 -0.001 0.000 0.267 357 T C -0.545 174.165 174.700 0.016 0.000 1.039 357 T CA 1.891 63.991 62.100 0.001 0.000 1.153 357 T CB -1.227 67.641 68.868 0.001 0.000 0.863 357 T HN 0.679 8.919 8.240 0.000 0.000 0.428 358 P HA -0.002 4.418 4.420 0.000 0.000 0.220 358 P C 1.800 179.112 177.300 0.020 0.000 1.148 358 P CA 0.791 63.904 63.100 0.020 0.000 0.803 358 P CB -0.249 31.456 31.700 0.008 0.000 0.782 359 C N -0.110 119.200 119.300 0.016 0.000 2.602 359 C HA 0.125 4.584 4.460 -0.001 0.000 0.282 359 C C 3.018 178.027 174.990 0.031 0.000 1.313 359 C CA 0.486 59.515 59.018 0.019 0.000 1.699 359 C CB -1.350 26.399 27.740 0.016 0.000 2.124 359 C HN 0.093 8.323 8.230 0.000 0.000 0.509 360 R N 0.675 121.186 120.500 0.019 0.000 2.113 360 R HA -0.156 4.184 4.340 -0.001 0.000 0.231 360 R C 2.083 178.401 176.300 0.029 0.000 1.129 360 R CA 2.433 58.542 56.100 0.015 0.000 0.915 360 R CB -0.540 29.758 30.300 -0.004 0.000 0.837 360 R HN 0.515 8.785 8.270 0.000 0.000 0.430 361 E N -0.317 119.900 120.200 0.029 0.000 2.072 361 E HA -0.049 4.300 4.350 -0.001 0.000 0.190 361 E C 1.954 178.603 176.600 0.083 0.000 0.982 361 E CA 1.160 57.584 56.400 0.041 0.000 0.803 361 E CB -0.712 29.006 29.700 0.029 0.000 0.755 361 E HN 0.611 8.971 8.360 0.000 0.000 0.453 362 G N 1.481 110.330 108.800 0.081 0.000 2.639 362 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 362 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 362 G C 1.716 176.691 174.900 0.126 0.000 1.267 362 G CA 1.915 47.078 45.100 0.105 0.000 0.801 362 G HN 0.308 8.598 8.290 0.000 0.000 0.592 363 V N 0.139 120.107 119.914 0.089 0.000 2.500 363 V HA 0.372 4.492 4.120 -0.001 0.000 0.243 363 V C 2.927 179.101 176.094 0.134 0.000 1.039 363 V CA 1.917 64.282 62.300 0.107 0.000 1.053 363 V CB -0.409 31.457 31.823 0.071 0.000 0.695 363 V HN 0.472 8.662 8.190 0.000 0.000 0.463 364 A N 0.275 123.159 122.820 0.107 0.000 2.015 364 A HA 0.201 4.521 4.320 -0.001 0.000 0.219 364 A C 2.113 179.760 177.584 0.106 0.000 1.163 364 A CA 1.693 53.791 52.037 0.102 0.000 0.646 364 A CB -1.073 17.965 19.000 0.065 0.000 0.806 364 A HN 0.698 8.848 8.150 0.000 0.000 0.448 365 G N -1.352 107.512 108.800 0.106 0.000 2.682 365 G HA2 0.187 4.147 3.960 -0.001 0.000 0.221 365 G HA3 0.187 4.147 3.960 -0.001 0.000 0.221 365 G C 1.253 176.240 174.900 0.145 0.000 1.386 365 G CA 0.572 45.726 45.100 0.090 0.000 0.909 365 G HN 0.219 8.508 8.290 0.000 0.000 0.558 366 F N 1.368 121.340 119.950 0.037 0.000 1.997 366 F HA -0.024 4.503 4.527 -0.001 0.000 0.296 366 F C 3.083 178.916 175.800 0.055 0.000 1.160 366 F CA 1.530 59.549 58.000 0.031 0.000 1.176 366 F CB -0.737 38.274 39.000 0.017 0.000 0.964 366 F HN 0.018 8.318 8.300 0.000 0.000 0.484 367 M N -0.394 119.390 119.600 0.306 0.000 2.226 367 M HA -0.296 4.183 4.480 -0.001 0.000 0.257 367 M C 2.286 178.781 176.300 0.324 0.000 1.070 367 M CA 2.505 57.953 55.300 0.247 0.000 1.087 367 M CB -1.318 31.413 32.600 0.218 0.000 1.278 367 M HN 0.222 8.512 8.290 0.000 0.000 0.426 368 V N 0.738 120.816 119.914 0.274 0.000 2.568 368 V HA -0.252 3.868 4.120 -0.001 0.000 0.253 368 V C 1.882 178.067 176.094 0.151 0.000 1.072 368 V CA 2.088 64.550 62.300 0.269 0.000 1.084 368 V CB -0.674 31.325 31.823 0.293 0.000 0.676 368 V HN 0.464 8.654 8.190 0.000 0.000 0.469 369 N N -0.334 118.457 118.700 0.151 0.000 2.354 369 N HA 0.002 4.742 4.740 -0.001 0.000 0.179 369 N C 1.655 177.168 175.510 0.005 0.000 1.021 369 N CA 1.124 54.218 53.050 0.074 0.000 0.887 369 N CB -0.103 38.443 38.487 0.098 0.000 0.974 369 N HN 0.373 8.753 8.380 0.000 0.000 0.437 370 L N 0.146 121.400 121.223 0.052 0.000 1.961 370 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 370 L C 2.015 178.747 176.870 -0.231 0.000 1.072 370 L CA 1.416 56.214 54.840 -0.069 0.000 0.749 370 L CB -1.536 40.445 42.059 -0.130 0.000 0.889 370 L HN 0.064 8.294 8.230 0.000 0.000 0.432 371 F N 0.477 120.235 119.950 -0.321 0.000 2.085 371 F HA -0.333 4.194 4.527 -0.000 0.000 0.299 371 F C 2.638 177.797 175.800 -1.069 0.000 1.096 371 F CA 1.670 59.312 58.000 -0.596 0.000 1.227 371 F CB -0.931 37.718 39.000 -0.584 0.000 0.983 371 F HN 0.147 8.447 8.300 0.000 0.000 0.482 372 A N -0.196 121.992 122.820 -1.055 0.000 1.859 372 A HA -0.331 3.988 4.320 -0.001 0.000 0.218 372 A C 2.219 179.643 177.584 -0.267 0.000 1.209 372 A CA 2.363 53.960 52.037 -0.734 0.000 0.639 372 A CB -1.013 17.837 19.000 -0.250 0.000 0.835 372 A HN 0.390 8.540 8.150 0.000 0.000 0.450 373 K N -0.573 119.722 120.400 -0.174 0.000 1.978 373 K HA -0.144 4.175 4.320 -0.001 0.000 0.214 373 K C 2.023 178.577 176.600 -0.077 0.000 1.049 373 K CA 1.850 58.091 56.287 -0.076 0.000 0.939 373 K CB -0.365 32.103 32.500 -0.052 0.000 0.721 373 K HN 0.536 8.786 8.250 0.000 0.000 0.441 374 I N 0.166 120.665 120.570 -0.119 0.000 2.361 374 I HA -0.126 4.043 4.170 -0.001 0.000 0.251 374 I C 1.634 177.713 176.117 -0.063 0.000 1.133 374 I CA 1.814 63.064 61.300 -0.084 0.000 1.413 374 I CB -0.364 37.578 38.000 -0.097 0.000 1.073 374 I HN 0.335 8.545 8.210 0.000 0.000 0.424 375 G N -0.408 108.324 108.800 -0.113 0.000 2.920 375 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.208 375 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.208 375 G C 1.071 176.039 174.900 0.114 0.000 1.159 375 G CA 0.765 45.865 45.100 -0.000 0.000 0.784 375 G HN 0.444 8.734 8.290 0.000 0.000 0.535 376 T N -0.423 114.172 114.554 0.069 0.000 3.010 376 T HA 0.373 4.723 4.350 -0.001 0.000 0.257 376 T C 1.596 176.328 174.700 0.054 0.000 1.020 376 T CA 0.480 62.634 62.100 0.090 0.000 0.938 376 T CB 0.627 69.548 68.868 0.089 0.000 1.049 376 T HN 0.821 9.061 8.240 0.000 0.000 0.522 377 G N 2.511 111.331 108.800 0.033 0.000 2.198 377 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.257 377 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.257 377 G C 0.479 175.390 174.900 0.019 0.000 1.042 377 G CA -0.115 44.999 45.100 0.024 0.000 0.791 377 G HN 0.461 8.751 8.290 0.000 0.000 0.502 378 Q N -0.395 119.413 119.800 0.013 0.000 2.219 378 Q HA 0.258 4.598 4.340 -0.001 0.000 0.209 378 Q C 1.370 177.371 176.000 0.001 0.000 0.854 378 Q CA 0.455 56.264 55.803 0.010 0.000 0.960 378 Q CB 1.132 29.878 28.738 0.013 0.000 1.116 378 Q HN 0.684 8.954 8.270 0.000 0.000 0.500 379 G N 1.036 109.833 108.800 -0.004 0.000 2.403 379 G HA2 0.321 4.281 3.960 -0.001 0.000 0.259 379 G HA3 0.321 4.281 3.960 -0.001 0.000 0.259 379 G C -0.391 174.506 174.900 -0.005 0.000 1.244 379 G CA -0.131 44.962 45.100 -0.012 0.000 0.849 379 G HN 0.043 8.333 8.290 0.000 0.000 0.532 380 E N 0.438 120.633 120.200 -0.009 0.000 2.264 380 E HA 0.211 4.560 4.350 -0.001 0.000 0.260 380 E C 0.796 177.389 176.600 -0.011 0.000 0.961 380 E CA -0.682 55.715 56.400 -0.006 0.000 0.834 380 E CB 2.270 31.968 29.700 -0.004 0.000 1.230 380 E HN 0.629 8.989 8.360 0.000 0.000 0.412 381 E N 0.830 121.025 120.200 -0.008 0.000 2.150 381 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 381 E C 0.961 177.546 176.600 -0.025 0.000 0.985 381 E CA 1.144 57.537 56.400 -0.012 0.000 0.814 381 E CB 0.232 29.927 29.700 -0.007 0.000 0.752 381 E HN 0.304 8.664 8.360 0.000 0.000 0.466 382 K N 0.419 120.806 120.400 -0.022 0.000 2.148 382 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 382 K C 1.584 178.160 176.600 -0.041 0.000 1.050 382 K CA 1.180 57.451 56.287 -0.027 0.000 0.942 382 K CB 0.018 32.511 32.500 -0.013 0.000 0.724 382 K HN 0.144 8.394 8.250 0.000 0.000 0.446 383 D N 0.802 121.178 120.400 -0.041 0.000 2.144 383 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 383 D C 1.916 178.147 176.300 -0.115 0.000 0.978 383 D CA 0.955 54.918 54.000 -0.061 0.000 0.833 383 D CB 0.013 40.782 40.800 -0.051 0.000 0.961 383 D HN -0.038 8.332 8.370 0.000 0.000 0.470 384 V N 1.134 120.984 119.914 -0.107 0.000 2.667 384 V HA -0.141 3.978 4.120 -0.001 0.000 0.252 384 V C 2.130 178.119 176.094 -0.175 0.000 1.065 384 V CA 1.237 63.442 62.300 -0.159 0.000 1.083 384 V CB -0.420 31.342 31.823 -0.102 0.000 0.692 384 V HN 0.170 8.360 8.190 0.000 0.000 0.468 385 E N 0.378 120.504 120.200 -0.124 0.000 2.076 385 E HA -0.127 4.223 4.350 -0.001 0.000 0.190 385 E C 2.035 178.554 176.600 -0.135 0.000 0.979 385 E CA 0.982 57.314 56.400 -0.113 0.000 0.807 385 E CB -0.194 29.461 29.700 -0.075 0.000 0.761 385 E HN 0.572 8.932 8.360 0.000 0.000 0.454 386 N N 1.514 120.128 118.700 -0.144 0.000 2.025 386 N HA -0.178 4.561 4.740 -0.001 0.000 0.194 386 N C 2.032 177.378 175.510 -0.273 0.000 1.044 386 N CA 0.847 53.777 53.050 -0.199 0.000 0.851 386 N CB -0.598 37.770 38.487 -0.199 0.000 1.036 386 N HN 0.085 8.465 8.380 0.000 0.000 0.422 387 L N 1.903 122.956 121.223 -0.284 0.000 2.064 387 L HA -0.257 4.083 4.340 -0.001 0.000 0.216 387 L C 2.258 178.987 176.870 -0.236 0.000 1.077 387 L CA 2.057 56.718 54.840 -0.297 0.000 0.766 387 L CB -0.931 40.918 42.059 -0.351 0.000 0.890 387 L HN 0.243 8.473 8.230 0.000 0.000 0.435 388 E N -0.145 119.924 120.200 -0.217 0.000 2.047 388 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 388 E C 1.992 178.514 176.600 -0.129 0.000 0.987 388 E CA 1.541 57.842 56.400 -0.165 0.000 0.799 388 E CB -0.492 29.115 29.700 -0.156 0.000 0.752 388 E HN 0.534 8.894 8.360 0.000 0.000 0.449 389 A N 0.414 123.152 122.820 -0.137 0.000 2.119 389 A HA 0.022 4.341 4.320 -0.001 0.000 0.217 389 A C 2.159 179.668 177.584 -0.124 0.000 1.153 389 A CA 0.727 52.697 52.037 -0.112 0.000 0.692 389 A CB -0.490 18.449 19.000 -0.103 0.000 0.799 389 A HN 0.365 8.515 8.150 0.000 0.000 0.458 390 L N -0.717 120.401 121.223 -0.175 0.000 2.044 390 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 390 L C 2.426 179.231 176.870 -0.109 0.000 1.075 390 L CA 0.971 55.699 54.840 -0.187 0.000 0.747 390 L CB -0.545 41.342 42.059 -0.286 0.000 0.903 390 L HN 0.388 8.618 8.230 0.000 0.000 0.435 391 L N 0.222 121.392 121.223 -0.088 0.000 2.051 391 L HA -0.190 4.150 4.340 -0.001 0.000 0.214 391 L C -0.387 176.458 176.870 -0.042 0.000 1.076 391 L CA 1.439 56.248 54.840 -0.052 0.000 0.758 391 L CB -1.995 40.050 42.059 -0.023 0.000 0.890 391 L HN 0.307 8.537 8.230 0.000 0.000 0.433 392 P HA -0.072 4.348 4.420 0.000 0.000 0.245 392 P C 1.714 179.000 177.300 -0.024 0.000 1.206 392 P CA 0.977 64.066 63.100 -0.019 0.000 0.781 392 P CB 0.251 31.943 31.700 -0.013 0.000 0.994 393 L N -1.296 119.906 121.223 -0.034 0.000 2.446 393 L HA 0.088 4.428 4.340 -0.001 0.000 0.219 393 L C 2.278 179.133 176.870 -0.025 0.000 1.116 393 L CA 0.576 55.401 54.840 -0.025 0.000 0.844 393 L CB -0.141 41.902 42.059 -0.028 0.000 0.970 393 L HN -0.107 8.123 8.230 0.000 0.000 0.457 394 I N -1.020 119.526 120.570 -0.040 0.000 3.098 394 I HA -0.143 4.027 4.170 -0.001 0.000 0.241 394 I C 2.373 178.442 176.117 -0.079 0.000 1.081 394 I CA 0.447 61.716 61.300 -0.052 0.000 1.487 394 I CB -0.182 37.781 38.000 -0.062 0.000 1.366 394 I HN 0.124 8.334 8.210 0.000 0.000 0.463 395 E N 1.755 121.892 120.200 -0.105 0.000 2.068 395 E HA -0.277 4.072 4.350 -0.001 0.000 0.207 395 E C 2.131 178.670 176.600 -0.101 0.000 1.032 395 E CA 2.111 58.415 56.400 -0.160 0.000 0.839 395 E CB -0.483 29.142 29.700 -0.126 0.000 0.758 395 E HN 0.488 8.848 8.360 0.000 0.000 0.457 396 G N 1.076 109.853 108.800 -0.038 0.000 2.624 396 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.221 396 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.221 396 G C 0.417 175.302 174.900 -0.026 0.000 1.169 396 G CA 1.556 46.649 45.100 -0.012 0.000 0.771 396 G HN 0.359 8.649 8.290 0.000 0.000 0.598 397 R N -0.591 119.889 120.500 -0.034 0.000 2.713 397 R HA 0.659 4.999 4.340 -0.001 0.000 0.282 397 R C -1.125 175.165 176.300 -0.015 0.000 1.472 397 R CA -0.279 55.808 56.100 -0.022 0.000 1.060 397 R CB 0.962 31.259 30.300 -0.005 0.000 1.237 397 R HN 0.108 8.378 8.270 0.000 0.000 0.484 398 S N 0.825 116.512 115.700 -0.021 0.000 2.740 398 S HA 0.426 4.896 4.470 -0.001 0.000 0.300 398 S C -0.295 174.338 174.600 0.054 0.000 1.147 398 S CA -0.814 57.397 58.200 0.019 0.000 0.871 398 S CB 0.786 63.978 63.200 -0.013 0.000 1.173 398 S HN 0.482 8.792 8.310 0.000 0.000 0.510 399 F N 1.528 121.445 119.950 -0.055 0.000 2.293 399 F HA 0.162 4.689 4.527 -0.001 0.000 0.297 399 F C 0.930 176.694 175.800 -0.060 0.000 1.089 399 F CA 0.138 58.105 58.000 -0.056 0.000 1.377 399 F CB 0.053 39.020 39.000 -0.055 0.000 1.051 399 F HN 0.721 9.021 8.300 0.000 0.000 0.511 400 C N -2.208 117.074 119.300 -0.030 0.000 3.236 400 C HA 0.529 4.989 4.460 -0.001 0.000 0.312 400 C C -1.679 173.262 174.990 -0.080 0.000 1.374 400 C CA -1.586 57.372 59.018 -0.100 0.000 1.455 400 C CB 0.938 28.663 27.740 -0.024 0.000 1.834 400 C HN 0.024 8.254 8.230 0.000 0.000 0.460 401 P HA -0.093 4.327 4.420 0.000 0.000 0.219 401 P C 1.788 179.021 177.300 -0.112 0.000 1.146 401 P CA 1.042 64.082 63.100 -0.099 0.000 0.808 401 P CB -0.082 31.607 31.700 -0.020 0.000 0.779 402 L N -0.638 120.572 121.223 -0.022 0.000 2.064 402 L HA -0.306 4.034 4.340 -0.001 0.000 0.216 402 L C 2.168 178.982 176.870 -0.094 0.000 1.077 402 L CA 2.034 56.904 54.840 0.049 0.000 0.766 402 L CB -0.792 41.343 42.059 0.127 0.000 0.890 402 L HN -0.034 8.196 8.230 0.000 0.000 0.435 403 A N -0.392 122.349 122.820 -0.132 0.000 1.902 403 A HA -0.249 4.071 4.320 -0.001 0.000 0.217 403 A C 1.852 179.226 177.584 -0.350 0.000 1.181 403 A CA 1.994 53.922 52.037 -0.182 0.000 0.623 403 A CB -0.666 18.255 19.000 -0.131 0.000 0.818 403 A HN 0.572 8.722 8.150 0.000 0.000 0.443 404 D N 0.329 120.414 120.400 -0.525 0.000 2.097 404 D HA -0.046 4.594 4.640 -0.001 0.000 0.197 404 D C 2.213 177.940 176.300 -0.955 0.000 0.984 404 D CA 1.519 54.892 54.000 -1.045 0.000 0.826 404 D CB -0.811 39.013 40.800 -1.626 0.000 0.973 404 D HN 0.413 8.783 8.370 0.000 0.000 0.460 405 A N 1.170 123.648 122.820 -0.569 0.000 2.009 405 A HA -0.202 4.118 4.320 -0.001 0.000 0.222 405 A C 2.279 179.534 177.584 -0.548 0.000 1.175 405 A CA 2.689 54.583 52.037 -0.239 0.000 0.651 405 A CB -0.681 18.332 19.000 0.022 0.000 0.815 405 A HN 0.294 8.444 8.150 0.000 0.000 0.459 406 A N -0.559 121.818 122.820 -0.739 0.000 1.878 406 A HA 0.147 4.467 4.320 -0.001 0.000 0.213 406 A C 2.345 179.770 177.584 -0.266 0.000 1.192 406 A CA 1.732 53.322 52.037 -0.745 0.000 0.619 406 A CB -1.082 17.616 19.000 -0.504 0.000 0.837 406 A HN 1.183 9.333 8.150 0.000 0.000 0.446 407 V N -3.664 116.112 119.914 -0.231 0.000 2.379 407 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 407 V C 2.152 178.296 176.094 0.083 0.000 1.044 407 V CA 1.393 63.645 62.300 -0.080 0.000 1.036 407 V CB -1.220 30.525 31.823 -0.130 0.000 0.664 407 V HN 0.606 8.796 8.190 0.000 0.000 0.453 408 W N 1.472 122.767 121.300 -0.009 0.000 2.301 408 W HA -0.031 4.629 4.660 -0.001 0.000 0.325 408 W C 0.380 176.939 176.519 0.065 0.000 1.250 408 W CA 2.309 59.671 57.345 0.028 0.000 1.261 408 W CB -2.695 26.781 29.460 0.026 0.000 1.157 408 W HN 0.376 8.556 8.180 0.000 0.000 0.473 409 P HA -0.128 4.292 4.420 0.000 0.000 0.219 409 P C 1.731 179.172 177.300 0.235 0.000 1.146 409 P CA 1.848 65.091 63.100 0.238 0.000 0.808 409 P CB -0.200 31.627 31.700 0.212 0.000 0.779 410 V N 0.559 120.610 119.914 0.228 0.000 2.488 410 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 410 V C 2.788 179.003 176.094 0.202 0.000 1.046 410 V CA 1.449 63.909 62.300 0.266 0.000 1.053 410 V CB -1.082 30.912 31.823 0.284 0.000 0.679 410 V HN 0.112 8.302 8.190 0.000 0.000 0.458 411 K N 1.010 121.520 120.400 0.182 0.000 1.973 411 K HA -0.162 4.157 4.320 -0.001 0.000 0.212 411 K C 2.105 178.809 176.600 0.173 0.000 1.047 411 K CA 1.862 58.239 56.287 0.149 0.000 0.937 411 K CB -0.757 31.859 32.500 0.193 0.000 0.721 411 K HN 0.474 8.724 8.250 0.000 0.000 0.440 412 G N 0.045 108.979 108.800 0.223 0.000 2.586 412 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.215 412 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.215 412 G C 1.393 176.531 174.900 0.397 0.000 1.128 412 G CA 1.134 46.407 45.100 0.288 0.000 0.774 412 G HN 0.528 8.818 8.290 0.000 0.000 0.543 413 S N -0.442 115.465 115.700 0.345 0.000 2.441 413 S HA 0.119 4.589 4.470 -0.001 0.000 0.224 413 S C 2.108 177.011 174.600 0.504 0.000 1.043 413 S CA 0.156 58.622 58.200 0.442 0.000 0.948 413 S CB -0.146 63.271 63.200 0.363 0.000 0.810 413 S HN 0.026 8.336 8.310 0.000 0.000 0.504 414 L N 2.433 123.810 121.223 0.257 0.000 2.046 414 L HA 0.183 4.523 4.340 -0.001 0.000 0.208 414 L C 2.675 179.615 176.870 0.116 0.000 1.077 414 L CA 1.580 56.471 54.840 0.085 0.000 0.747 414 L CB -1.193 40.796 42.059 -0.116 0.000 0.896 414 L HN 0.421 8.651 8.230 0.000 0.000 0.432 415 R N -1.455 119.100 120.500 0.092 0.000 2.339 415 R HA -0.095 4.245 4.340 -0.001 0.000 0.199 415 R C 0.749 176.886 176.300 -0.271 0.000 1.018 415 R CA 0.785 56.836 56.100 -0.082 0.000 1.036 415 R CB -0.038 30.190 30.300 -0.120 0.000 0.899 415 R HN 0.528 8.799 8.270 0.000 0.000 0.473 416 H N -2.154 116.997 119.070 0.136 0.000 3.787 416 H HA 0.099 4.654 4.556 -0.001 0.000 0.262 416 H C -0.442 174.608 175.328 -0.465 0.000 1.181 416 H CA 0.108 56.072 56.048 -0.139 0.000 1.159 416 H CB 0.752 30.428 29.762 -0.143 0.000 1.563 416 H HN 0.113 8.393 8.280 0.000 0.000 0.699 417 F N 0.106 120.194 119.950 0.229 0.000 2.875 417 F HA 0.236 4.763 4.527 -0.000 0.000 0.334 417 F C 1.649 177.604 175.800 0.259 0.000 1.228 417 F CA -0.393 57.736 58.000 0.216 0.000 1.094 417 F CB 0.434 39.562 39.000 0.214 0.000 1.239 417 F HN -0.196 8.104 8.300 0.000 0.000 0.509 418 K N 1.431 122.018 120.400 0.312 0.000 2.218 418 K HA -0.197 4.123 4.320 -0.001 0.000 0.205 418 K C 1.437 178.180 176.600 0.238 0.000 1.046 418 K CA 2.271 58.705 56.287 0.244 0.000 0.933 418 K CB -0.034 32.511 32.500 0.074 0.000 0.728 418 K HN 0.372 8.622 8.250 0.000 0.000 0.454 419 D N -0.345 120.166 120.400 0.184 0.000 2.269 419 D HA -0.187 4.452 4.640 -0.001 0.000 0.208 419 D C 1.689 178.079 176.300 0.150 0.000 0.963 419 D CA 0.721 54.801 54.000 0.133 0.000 0.864 419 D CB -0.119 40.734 40.800 0.087 0.000 0.936 419 D HN 0.393 8.763 8.370 0.000 0.000 0.505 420 Q N -0.762 119.159 119.800 0.203 0.000 2.245 420 Q HA -0.103 4.237 4.340 -0.001 0.000 0.201 420 Q C 1.441 177.457 176.000 0.028 0.000 0.955 420 Q CA 0.738 56.608 55.803 0.113 0.000 0.870 420 Q CB 0.075 28.889 28.738 0.126 0.000 0.945 420 Q HN 0.313 8.583 8.270 0.000 0.000 0.461 421 Y N -0.250 120.089 120.300 0.066 0.000 2.206 421 Y HA -0.133 4.416 4.550 -0.001 0.000 0.292 421 Y C 1.916 177.815 175.900 -0.002 0.000 1.123 421 Y CA 0.922 59.029 58.100 0.013 0.000 1.142 421 Y CB -0.078 38.370 38.460 -0.020 0.000 1.006 421 Y HN 0.046 8.326 8.280 0.000 0.000 0.518 422 L N -0.528 120.804 121.223 0.183 0.000 2.013 422 L HA -0.318 4.022 4.340 -0.001 0.000 0.212 422 L C 2.725 179.633 176.870 0.065 0.000 1.073 422 L CA 1.239 56.134 54.840 0.093 0.000 0.753 422 L CB -1.052 41.052 42.059 0.075 0.000 0.890 422 L HN 0.258 8.488 8.230 0.000 0.000 0.432 423 A N 0.210 123.069 122.820 0.065 0.000 1.881 423 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 423 A C 2.143 179.746 177.584 0.032 0.000 1.215 423 A CA 2.239 54.302 52.037 0.044 0.000 0.648 423 A CB -0.911 18.116 19.000 0.044 0.000 0.832 423 A HN 0.286 8.436 8.150 0.000 0.000 0.455 424 L N -0.638 120.600 121.223 0.024 0.000 2.046 424 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 424 L C 3.036 179.917 176.870 0.019 0.000 1.077 424 L CA 1.981 56.830 54.840 0.016 0.000 0.747 424 L CB -1.130 40.928 42.059 -0.001 0.000 0.896 424 L HN 0.437 8.667 8.230 0.000 0.000 0.432 425 A N -0.410 122.424 122.820 0.023 0.000 1.851 425 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 425 A C 2.455 180.049 177.584 0.016 0.000 1.195 425 A CA 1.883 53.931 52.037 0.017 0.000 0.622 425 A CB -0.568 18.444 19.000 0.020 0.000 0.831 425 A HN 0.351 8.501 8.150 0.000 0.000 0.444 426 R N -0.201 120.311 120.500 0.020 0.000 2.193 426 R HA -0.077 4.262 4.340 -0.001 0.000 0.229 426 R C 0.908 177.218 176.300 0.016 0.000 1.110 426 R CA 1.423 57.532 56.100 0.017 0.000 0.988 426 R CB -0.122 30.189 30.300 0.019 0.000 0.871 426 R HN 0.688 8.958 8.270 0.000 0.000 0.458 427 E N 0.363 120.574 120.200 0.018 0.000 2.499 427 E HA 0.087 4.436 4.350 -0.001 0.000 0.199 427 E C -0.540 176.070 176.600 0.017 0.000 1.016 427 E CA -0.260 56.151 56.400 0.017 0.000 0.933 427 E CB 0.665 30.376 29.700 0.019 0.000 1.050 427 E HN -0.039 8.321 8.360 0.000 0.000 0.462 428 K N 1.466 121.876 120.400 0.016 0.000 3.311 428 K HA -0.223 4.097 4.320 -0.001 0.000 0.270 428 K C -0.585 176.027 176.600 0.020 0.000 0.927 428 K CA 0.775 57.072 56.287 0.016 0.000 0.706 428 K CB -1.323 31.186 32.500 0.015 0.000 1.418 428 K HN 0.294 8.544 8.250 0.000 0.000 0.459 429 R N 0.724 121.237 120.500 0.021 0.000 2.494 429 R HA 0.317 4.656 4.340 -0.001 0.000 0.305 429 R C -2.146 174.172 176.300 0.030 0.000 0.959 429 R CA -1.886 54.229 56.100 0.025 0.000 0.864 429 R CB 1.706 32.020 30.300 0.023 0.000 1.159 429 R HN -0.001 8.269 8.270 0.000 0.000 0.446 430 P HA -0.005 4.415 4.420 0.000 0.000 0.272 430 P C -0.023 177.310 177.300 0.056 0.000 1.223 430 P CA -0.341 62.792 63.100 0.056 0.000 0.784 430 P CB 0.669 32.404 31.700 0.058 0.000 0.923 431 V N -0.565 119.396 119.914 0.079 0.000 2.901 431 V HA 0.133 4.252 4.120 -0.001 0.000 0.307 431 V C -1.906 174.219 176.094 0.051 0.000 1.084 431 V CA -1.385 60.956 62.300 0.068 0.000 1.184 431 V CB -1.172 30.716 31.823 0.108 0.000 0.941 431 V HN 0.507 8.697 8.190 0.000 0.000 0.493 432 P HA 0.247 4.667 4.420 0.000 0.000 0.271 432 P C -0.706 176.608 177.300 0.023 0.000 1.220 432 P CA -0.185 62.931 63.100 0.027 0.000 0.768 432 P CB 0.502 32.215 31.700 0.022 0.000 0.848 433 R N 3.869 124.382 120.500 0.021 0.000 2.666 433 R HA 0.347 4.687 4.340 -0.001 0.000 0.275 433 R C -1.716 174.593 176.300 0.015 0.000 1.266 433 R CA -1.408 54.699 56.100 0.013 0.000 1.401 433 R CB -0.112 30.195 30.300 0.011 0.000 1.145 433 R HN 0.528 8.798 8.270 0.000 0.000 0.581 434 P HA 0.174 4.594 4.420 0.000 0.000 0.279 434 P C -0.257 177.062 177.300 0.032 0.000 1.252 434 P CA -0.455 62.658 63.100 0.023 0.000 0.811 434 P CB 1.140 32.851 31.700 0.020 0.000 1.035 435 S N 0.810 116.538 115.700 0.047 0.000 2.488 435 S HA 0.129 4.599 4.470 -0.001 0.000 0.278 435 S C 0.815 175.468 174.600 0.088 0.000 1.259 435 S CA -0.427 57.821 58.200 0.080 0.000 1.061 435 S CB -0.465 62.785 63.200 0.084 0.000 0.910 435 S HN 0.317 8.627 8.310 0.000 0.000 0.491 436 L N 5.365 126.659 121.223 0.118 0.000 2.642 436 L HA 0.444 4.783 4.340 -0.001 0.000 0.233 436 L C 0.315 177.304 176.870 0.198 0.000 1.077 436 L CA 0.153 55.059 54.840 0.111 0.000 0.879 436 L CB 0.013 42.107 42.059 0.059 0.000 1.151 436 L HN 0.815 9.045 8.230 0.000 0.000 0.495 437 W N 1.089 122.378 121.300 -0.019 0.000 2.516 437 W HA 0.672 5.331 4.660 -0.001 0.000 0.343 437 W C -0.266 176.245 176.519 -0.013 0.000 1.094 437 W CA -1.276 56.058 57.345 -0.018 0.000 1.250 437 W CB 0.602 30.049 29.460 -0.022 0.000 1.308 437 W HN -0.152 8.028 8.180 0.000 0.000 0.588 438 R N 0.000 120.371 120.500 -0.216 0.000 2.786 438 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 438 R CA 0.000 55.870 56.100 -0.383 0.000 0.921 438 R CB 0.000 30.181 30.300 -0.198 0.000 0.687 438 R HN 0.000 8.270 8.270 0.000 0.000 0.535