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 1got_1_A DATA FIRST_RESID 6 DATA SEQUENCE SAEEKHSREL EKKLKEDAEK DARTVKLLLL GAGESGKSTI VKQXKIIHQD DATA SEQUENCE GYSLEECLEF IAIIYGNTLQ SILAIVRAXT TLNIQYGDSA RQDDARKLXH DATA SEQUENCE XADTIEEGTX PKEXSDIIQR LWKDSGIQAC FDRASEYQLN DSAGYYLSDL DATA SEQUENCE ERLVTPGYVP TEQDVLRSRV KTTGIIETQF SFKDLNFRXF DVGGQRSERK DATA SEQUENCE KWIHCFEGVT AIIFCVALSD YDLVLAEDEE XNRXHESXKL FDSICNNKWF DATA SEQUENCE TDTSIILFLN KKDLFEEKIK KSPLTICYPE YAGSNTYEEA GNYIKVQFLE DATA SEQUENCE LNXRRDVKEI YSHXTCATDT QNVKFVFDAV TDIIIKEN 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 6 S HA 0.000 4.470 4.470 0.000 0.000 0.327 6 S C 0.000 174.615 174.600 0.024 0.000 1.055 6 S CA 0.000 58.210 58.200 0.016 0.000 1.107 6 S CB 0.000 63.209 63.200 0.016 0.000 0.593 7 A N 1.198 124.033 122.820 0.024 0.000 1.865 7 A HA 0.007 4.328 4.320 0.001 0.000 0.217 7 A C 1.784 179.406 177.584 0.062 0.000 1.191 7 A CA 2.692 54.748 52.037 0.032 0.000 0.623 7 A CB -0.753 18.256 19.000 0.016 0.000 0.826 7 A HN 0.894 9.044 8.150 0.000 0.000 0.444 8 E N -0.398 119.837 120.200 0.059 0.000 2.051 8 E HA -0.177 4.173 4.350 0.001 0.000 0.192 8 E C 1.973 178.617 176.600 0.074 0.000 0.991 8 E CA 1.484 57.936 56.400 0.086 0.000 0.799 8 E CB -0.263 29.470 29.700 0.055 0.000 0.748 8 E HN 0.784 9.144 8.360 0.000 0.000 0.449 9 E N 0.605 120.830 120.200 0.042 0.000 2.085 9 E HA -0.223 4.127 4.350 0.001 0.000 0.194 9 E C 1.734 178.351 176.600 0.028 0.000 0.994 9 E CA 1.286 57.700 56.400 0.023 0.000 0.801 9 E CB 0.093 29.802 29.700 0.015 0.000 0.743 9 E HN 0.102 8.462 8.360 0.000 0.000 0.453 10 K N -0.664 119.764 120.400 0.046 0.000 2.026 10 K HA -0.209 4.111 4.320 0.001 0.000 0.208 10 K C 2.292 178.944 176.600 0.086 0.000 1.048 10 K CA 1.485 57.803 56.287 0.052 0.000 0.929 10 K CB -0.318 32.211 32.500 0.049 0.000 0.713 10 K HN 0.202 8.452 8.250 0.000 0.000 0.439 11 H N 0.623 119.693 119.070 -0.001 0.000 2.352 11 H HA -0.068 4.489 4.556 0.001 0.000 0.299 11 H C 2.106 177.434 175.328 -0.001 0.000 1.097 11 H CA 1.856 57.903 56.048 -0.001 0.000 1.311 11 H CB -0.314 29.447 29.762 -0.001 0.000 1.377 11 H HN 0.040 8.320 8.280 0.000 0.000 0.504 12 S N -0.716 114.910 115.700 -0.122 0.000 2.382 12 S HA -0.125 4.345 4.470 0.001 0.000 0.228 12 S C 2.202 176.734 174.600 -0.113 0.000 1.027 12 S CA 1.187 59.281 58.200 -0.176 0.000 0.991 12 S CB -0.089 63.060 63.200 -0.086 0.000 0.823 12 S HN 0.353 8.663 8.310 0.000 0.000 0.469 13 R N 1.133 121.603 120.500 -0.050 0.000 2.115 13 R HA 0.088 4.428 4.340 0.001 0.000 0.230 13 R C 2.243 178.528 176.300 -0.026 0.000 1.111 13 R CA 1.342 57.425 56.100 -0.028 0.000 0.976 13 R CB -0.652 29.644 30.300 -0.005 0.000 0.870 13 R HN 0.373 8.643 8.270 0.000 0.000 0.445 14 E N 0.500 120.691 120.200 -0.016 0.000 2.017 14 E HA -0.106 4.245 4.350 0.001 0.000 0.193 14 E C 1.740 178.325 176.600 -0.024 0.000 0.997 14 E CA 1.388 57.795 56.400 0.011 0.000 0.804 14 E CB -0.311 29.445 29.700 0.094 0.000 0.757 14 E HN 0.243 8.603 8.360 0.000 0.000 0.448 15 L N 0.451 121.616 121.223 -0.098 0.000 2.079 15 L HA -0.205 4.136 4.340 0.001 0.000 0.210 15 L C 2.424 179.255 176.870 -0.064 0.000 1.081 15 L CA 1.681 56.459 54.840 -0.103 0.000 0.752 15 L CB -0.529 41.408 42.059 -0.203 0.000 0.896 15 L HN 0.226 8.456 8.230 0.000 0.000 0.433 16 E N 0.629 120.791 120.200 -0.064 0.000 2.110 16 E HA -0.243 4.107 4.350 0.001 0.000 0.193 16 E C 2.120 178.705 176.600 -0.025 0.000 0.988 16 E CA 1.430 57.805 56.400 -0.042 0.000 0.804 16 E CB -0.072 29.605 29.700 -0.040 0.000 0.745 16 E HN 0.577 8.937 8.360 0.000 0.000 0.458 17 K N 1.399 121.788 120.400 -0.019 0.000 2.209 17 K HA -0.122 4.198 4.320 0.001 0.000 0.204 17 K C 1.742 178.338 176.600 -0.006 0.000 1.048 17 K CA 1.219 57.501 56.287 -0.009 0.000 0.940 17 K CB -0.016 32.483 32.500 -0.002 0.000 0.729 17 K HN -0.048 8.202 8.250 0.000 0.000 0.451 18 K N 1.022 121.417 120.400 -0.007 0.000 2.076 18 K HA 0.045 4.366 4.320 0.001 0.000 0.204 18 K C 2.150 178.745 176.600 -0.007 0.000 1.051 18 K CA 1.012 57.297 56.287 -0.003 0.000 0.949 18 K CB -0.173 32.327 32.500 -0.001 0.000 0.726 18 K HN 0.068 8.318 8.250 0.000 0.000 0.443 19 L N 1.476 122.691 121.223 -0.014 0.000 2.131 19 L HA -0.197 4.144 4.340 0.001 0.000 0.210 19 L C 2.256 179.119 176.870 -0.011 0.000 1.092 19 L CA 1.330 56.161 54.840 -0.015 0.000 0.759 19 L CB -0.352 41.693 42.059 -0.022 0.000 0.903 19 L HN 0.167 8.397 8.230 0.000 0.000 0.435 20 K N 0.036 120.430 120.400 -0.011 0.000 2.097 20 K HA -0.187 4.134 4.320 0.001 0.000 0.206 20 K C 1.950 178.547 176.600 -0.005 0.000 1.049 20 K CA 1.388 57.670 56.287 -0.008 0.000 0.933 20 K CB -0.082 32.414 32.500 -0.007 0.000 0.717 20 K HN 0.407 8.657 8.250 0.000 0.000 0.442 21 E N 0.992 121.190 120.200 -0.003 0.000 2.031 21 E HA -0.192 4.158 4.350 0.001 0.000 0.193 21 E C 1.706 178.306 176.600 -0.001 0.000 0.994 21 E CA 1.426 57.826 56.400 -0.000 0.000 0.800 21 E CB -0.085 29.617 29.700 0.003 0.000 0.752 21 E HN 0.243 8.603 8.360 0.000 0.000 0.447 22 D N 0.654 121.053 120.400 -0.002 0.000 2.172 22 D HA -0.209 4.432 4.640 0.001 0.000 0.196 22 D C 1.833 178.131 176.300 -0.004 0.000 0.999 22 D CA 1.479 55.478 54.000 -0.002 0.000 0.856 22 D CB -0.358 40.440 40.800 -0.003 0.000 0.934 22 D HN 0.220 8.590 8.370 0.000 0.000 0.453 23 A N 0.892 123.709 122.820 -0.006 0.000 1.898 23 A HA -0.185 4.135 4.320 0.001 0.000 0.216 23 A C 2.103 179.683 177.584 -0.007 0.000 1.181 23 A CA 1.393 53.426 52.037 -0.007 0.000 0.620 23 A CB -0.468 18.528 19.000 -0.007 0.000 0.819 23 A HN 0.206 8.356 8.150 0.000 0.000 0.442 24 E N -0.383 119.813 120.200 -0.006 0.000 2.077 24 E HA -0.205 4.145 4.350 0.001 0.000 0.193 24 E C 2.091 178.686 176.600 -0.010 0.000 0.989 24 E CA 1.372 57.768 56.400 -0.007 0.000 0.800 24 E CB -0.133 29.564 29.700 -0.004 0.000 0.746 24 E HN 0.647 9.007 8.360 0.000 0.000 0.452 25 K N 1.091 121.486 120.400 -0.007 0.000 2.025 25 K HA -0.220 4.100 4.320 0.001 0.000 0.207 25 K C 1.884 178.474 176.600 -0.017 0.000 1.049 25 K CA 1.844 58.126 56.287 -0.009 0.000 0.933 25 K CB -0.067 32.432 32.500 -0.001 0.000 0.714 25 K HN -0.033 8.217 8.250 0.000 0.000 0.438 26 D N -0.119 120.274 120.400 -0.012 0.000 2.182 26 D HA -0.144 4.496 4.640 0.001 0.000 0.201 26 D C 1.604 177.891 176.300 -0.022 0.000 0.986 26 D CA 1.331 55.323 54.000 -0.013 0.000 0.847 26 D CB 0.008 40.804 40.800 -0.005 0.000 0.942 26 D HN 0.350 8.720 8.370 0.000 0.000 0.467 27 A N 0.036 122.844 122.820 -0.021 0.000 1.972 27 A HA -0.075 4.245 4.320 0.001 0.000 0.219 27 A C 1.902 179.461 177.584 -0.041 0.000 1.169 27 A CA 0.934 52.956 52.037 -0.025 0.000 0.635 27 A CB -0.224 18.766 19.000 -0.018 0.000 0.810 27 A HN 0.238 8.388 8.150 0.000 0.000 0.446 28 R N -0.141 120.330 120.500 -0.048 0.000 2.586 28 R HA 0.165 4.505 4.340 0.001 0.000 0.306 28 R C -0.756 175.476 176.300 -0.114 0.000 1.079 28 R CA 0.025 56.083 56.100 -0.069 0.000 1.083 28 R CB 0.231 30.503 30.300 -0.046 0.000 1.306 28 R HN 0.257 8.527 8.270 0.000 0.000 0.567 29 T N 0.836 115.317 114.554 -0.121 0.000 2.823 29 T HA 0.319 4.670 4.350 0.001 0.000 0.279 29 T C -0.113 174.443 174.700 -0.240 0.000 0.998 29 T CA -0.453 61.542 62.100 -0.176 0.000 0.994 29 T CB 2.641 71.456 68.868 -0.089 0.000 0.960 29 T HN -0.192 8.048 8.240 0.000 0.000 0.448 30 V N 4.012 123.652 119.914 -0.457 0.000 2.383 30 V HA 0.408 4.529 4.120 0.001 0.000 0.275 30 V C -0.057 175.876 176.094 -0.268 0.000 1.036 30 V CA -0.805 61.214 62.300 -0.469 0.000 0.889 30 V CB 1.006 32.254 31.823 -0.958 0.000 0.985 30 V HN 0.685 8.875 8.190 0.000 0.000 0.459 31 K N 5.385 125.734 120.400 -0.086 0.000 2.265 31 K HA 0.714 5.034 4.320 0.001 0.000 0.267 31 K C -1.073 175.484 176.600 -0.071 0.000 0.994 31 K CA -0.094 56.211 56.287 0.031 0.000 0.860 31 K CB 1.450 34.131 32.500 0.300 0.000 1.099 31 K HN 0.552 8.802 8.250 0.000 0.000 0.448 32 L N 4.013 125.039 121.223 -0.328 0.000 2.349 32 L HA 0.455 4.796 4.340 0.001 0.000 0.278 32 L C -1.168 175.343 176.870 -0.598 0.000 0.996 32 L CA -1.146 53.518 54.840 -0.293 0.000 0.825 32 L CB 1.313 43.320 42.059 -0.086 0.000 1.243 32 L HN 0.371 8.601 8.230 0.000 0.000 0.412 33 L N 4.806 125.842 121.223 -0.311 0.000 2.264 33 L HA 0.508 4.849 4.340 0.001 0.000 0.289 33 L C -0.803 175.934 176.870 -0.222 0.000 1.044 33 L CA 0.062 54.739 54.840 -0.270 0.000 0.807 33 L CB 1.070 43.035 42.059 -0.156 0.000 1.192 33 L HN 0.459 8.689 8.230 0.000 0.000 0.425 34 L N 6.385 127.483 121.223 -0.209 0.000 2.292 34 L HA 0.531 4.872 4.340 0.001 0.000 0.284 34 L C -0.545 176.240 176.870 -0.143 0.000 1.065 34 L CA -0.209 54.529 54.840 -0.169 0.000 0.806 34 L CB 1.204 43.178 42.059 -0.141 0.000 1.175 34 L HN 0.619 8.849 8.230 0.000 0.000 0.431 35 L N 2.346 123.469 121.223 -0.166 0.000 2.359 35 L HA 0.955 5.296 4.340 0.001 0.000 0.256 35 L C -0.164 176.385 176.870 -0.534 0.000 1.026 35 L CA -0.720 54.022 54.840 -0.165 0.000 0.828 35 L CB 2.390 44.492 42.059 0.070 0.000 1.406 35 L HN 0.705 8.935 8.230 0.000 0.000 0.413 36 G N 0.215 108.721 108.800 -0.490 0.000 2.352 36 G HA2 0.451 4.412 3.960 0.001 0.000 0.305 36 G HA3 0.451 4.412 3.960 0.001 0.000 0.305 36 G C -1.302 173.490 174.900 -0.180 0.000 1.537 36 G CA -0.227 44.471 45.100 -0.670 0.000 0.959 36 G HN 0.819 9.109 8.290 0.000 0.000 0.668 37 A N -0.336 122.451 122.820 -0.055 0.000 2.387 37 A HA 0.710 5.031 4.320 0.001 0.000 0.251 37 A C 1.447 179.038 177.584 0.012 0.000 1.113 37 A CA 0.904 52.968 52.037 0.046 0.000 0.794 37 A CB -0.190 18.870 19.000 0.100 0.000 1.069 37 A HN 2.376 10.526 8.150 0.000 0.000 0.506 38 G N -1.739 107.083 108.800 0.038 0.000 2.491 38 G HA2 0.403 4.363 3.960 0.001 0.000 0.238 38 G HA3 0.403 4.363 3.960 0.001 0.000 0.238 38 G C 0.170 175.079 174.900 0.014 0.000 1.277 38 G CA 0.637 45.753 45.100 0.026 0.000 0.851 38 G HN 1.036 9.326 8.290 0.000 0.000 0.573 39 E N -0.852 119.351 120.200 0.006 0.000 2.791 39 E HA -0.264 4.087 4.350 0.001 0.000 0.271 39 E C 1.744 178.337 176.600 -0.012 0.000 1.044 39 E CA 1.178 57.578 56.400 0.000 0.000 0.814 39 E CB -1.323 28.381 29.700 0.007 0.000 1.400 39 E HN 0.634 8.994 8.360 0.000 0.000 0.423 40 S N -2.482 113.201 115.700 -0.029 0.000 2.503 40 S HA 0.341 4.812 4.470 0.001 0.000 0.217 40 S C 1.633 176.209 174.600 -0.041 0.000 0.999 40 S CA 0.447 58.619 58.200 -0.047 0.000 0.914 40 S CB 1.103 64.245 63.200 -0.098 0.000 0.782 40 S HN 0.956 9.266 8.310 0.000 0.000 0.520 41 G N 1.165 109.945 108.800 -0.034 0.000 2.198 41 G HA2 -0.156 3.804 3.960 0.001 0.000 0.156 41 G HA3 -0.156 3.804 3.960 0.001 0.000 0.156 41 G C 0.663 175.553 174.900 -0.017 0.000 1.012 41 G CA 0.075 45.162 45.100 -0.021 0.000 0.692 41 G HN 0.430 8.720 8.290 0.000 0.000 0.492 42 K N 0.839 121.218 120.400 -0.035 0.000 2.001 42 K HA 0.016 4.336 4.320 0.001 0.000 0.208 42 K C 2.551 179.137 176.600 -0.023 0.000 1.048 42 K CA 1.646 57.910 56.287 -0.039 0.000 0.932 42 K CB -0.274 32.189 32.500 -0.062 0.000 0.715 42 K HN 0.230 8.480 8.250 0.000 0.000 0.437 43 S N 0.806 116.498 115.700 -0.013 0.000 2.383 43 S HA -0.130 4.341 4.470 0.001 0.000 0.229 43 S C 2.026 176.622 174.600 -0.006 0.000 1.030 43 S CA 1.753 59.955 58.200 0.002 0.000 1.002 43 S CB -0.417 62.795 63.200 0.019 0.000 0.829 43 S HN 0.359 8.669 8.310 0.000 0.000 0.467 44 T N 2.749 117.290 114.554 -0.022 0.000 2.746 44 T HA 0.007 4.358 4.350 0.001 0.000 0.267 44 T C 1.721 176.390 174.700 -0.051 0.000 1.039 44 T CA 0.877 62.950 62.100 -0.045 0.000 1.142 44 T CB -0.277 68.555 68.868 -0.059 0.000 0.866 44 T HN 0.234 8.474 8.240 0.000 0.000 0.444 45 I N 1.234 121.784 120.570 -0.035 0.000 2.208 45 I HA -0.105 4.065 4.170 0.001 0.000 0.245 45 I C 2.536 178.600 176.117 -0.089 0.000 1.097 45 I CA 0.978 62.252 61.300 -0.043 0.000 1.363 45 I CB -1.426 36.587 38.000 0.022 0.000 1.051 45 I HN 0.126 8.336 8.210 0.000 0.000 0.413 46 V N 0.999 120.879 119.914 -0.057 0.000 2.407 46 V HA -0.248 3.872 4.120 0.001 0.000 0.248 46 V C 2.477 178.535 176.094 -0.061 0.000 1.055 46 V CA 1.575 63.842 62.300 -0.055 0.000 1.049 46 V CB -0.645 31.172 31.823 -0.009 0.000 0.662 46 V HN 0.408 8.598 8.190 0.000 0.000 0.455 47 K N -0.673 119.713 120.400 -0.023 0.000 2.148 47 K HA -0.085 4.236 4.320 0.001 0.000 0.204 47 K C 1.276 177.845 176.600 -0.051 0.000 1.050 47 K CA 0.578 56.883 56.287 0.030 0.000 0.942 47 K CB -0.076 32.455 32.500 0.052 0.000 0.724 47 K HN 0.452 8.702 8.250 0.000 0.000 0.446 51 I N 1.849 122.272 120.570 -0.246 0.000 2.179 51 I HA -0.228 3.943 4.170 0.001 0.000 0.242 51 I C 2.118 178.068 176.117 -0.277 0.000 1.088 51 I CA 1.560 62.747 61.300 -0.188 0.000 1.357 51 I CB -0.084 37.852 38.000 -0.107 0.000 1.051 51 I HN 0.239 8.449 8.210 0.000 0.000 0.409 52 I N -0.666 119.648 120.570 -0.426 0.000 2.480 52 I HA -0.195 3.976 4.170 0.001 0.000 0.251 52 I C 1.869 177.498 176.117 -0.814 0.000 1.124 52 I CA 1.066 61.980 61.300 -0.643 0.000 1.444 52 I CB -0.219 37.262 38.000 -0.865 0.000 1.098 52 I HN 0.277 8.487 8.210 0.000 0.000 0.428 53 H N -0.245 118.529 119.070 -0.495 0.000 2.755 53 H HA 0.293 4.849 4.556 0.001 0.000 0.273 53 H C 0.495 175.675 175.328 -0.247 0.000 1.055 53 H CA 0.216 56.000 56.048 -0.439 0.000 1.191 53 H CB 0.676 29.965 29.762 -0.789 0.000 1.536 53 H HN 0.411 8.691 8.280 0.000 0.000 0.529 54 Q N 0.574 120.274 119.800 -0.167 0.000 2.089 54 Q HA 0.107 4.447 4.340 0.001 0.000 0.248 54 Q C -0.614 175.318 176.000 -0.114 0.000 0.828 54 Q CA -0.161 55.583 55.803 -0.099 0.000 1.102 54 Q CB 1.326 30.002 28.738 -0.103 0.000 1.221 54 Q HN 0.111 8.381 8.270 0.000 0.000 0.455 55 D N 0.246 120.576 120.400 -0.118 0.000 2.907 55 D HA -0.164 4.476 4.640 0.001 0.000 0.226 55 D C 0.746 176.979 176.300 -0.112 0.000 1.141 55 D CA 1.295 55.238 54.000 -0.096 0.000 0.779 55 D CB -1.264 39.500 40.800 -0.059 0.000 1.095 55 D HN 0.608 8.978 8.370 0.000 0.000 0.430 56 G N -0.573 108.131 108.800 -0.159 0.000 2.578 56 G HA2 -0.318 3.642 3.960 0.001 0.000 0.284 56 G HA3 -0.318 3.642 3.960 0.001 0.000 0.284 56 G C -0.231 174.525 174.900 -0.240 0.000 1.283 56 G CA 0.345 45.355 45.100 -0.151 0.000 0.944 56 G HN 0.269 8.559 8.290 0.000 0.000 0.558 57 Y N 1.070 121.343 120.300 -0.046 0.000 2.361 57 Y HA 0.557 5.107 4.550 0.001 0.000 0.332 57 Y C 1.248 177.141 175.900 -0.011 0.000 1.101 57 Y CA -0.082 58.012 58.100 -0.011 0.000 1.137 57 Y CB 1.726 40.188 38.460 0.004 0.000 1.207 57 Y HN 0.888 9.168 8.280 0.000 0.000 0.463 58 S N 2.230 118.010 115.700 0.133 0.000 2.608 58 S HA 0.084 4.555 4.470 0.001 0.000 0.261 58 S C 1.033 175.680 174.600 0.079 0.000 1.314 58 S CA -0.700 57.544 58.200 0.073 0.000 0.992 58 S CB 0.706 63.933 63.200 0.044 0.000 0.935 58 S HN 0.753 9.063 8.310 0.000 0.000 0.564 59 L N 1.361 122.605 121.223 0.035 0.000 1.989 59 L HA -0.139 4.202 4.340 0.001 0.000 0.211 59 L C 2.657 179.535 176.870 0.013 0.000 1.071 59 L CA 2.326 57.173 54.840 0.012 0.000 0.749 59 L CB -1.384 40.672 42.059 -0.004 0.000 0.890 59 L HN 0.895 9.125 8.230 0.000 0.000 0.431 60 E N -0.329 119.882 120.200 0.017 0.000 2.110 60 E HA -0.266 4.084 4.350 0.001 0.000 0.193 60 E C 1.907 178.525 176.600 0.031 0.000 0.988 60 E CA 1.729 58.136 56.400 0.010 0.000 0.804 60 E CB -0.656 29.046 29.700 0.005 0.000 0.745 60 E HN 0.716 9.076 8.360 0.000 0.000 0.458 61 E N 0.502 120.754 120.200 0.086 0.000 2.077 61 E HA -0.119 4.232 4.350 0.001 0.000 0.193 61 E C 2.323 179.061 176.600 0.230 0.000 0.989 61 E CA 1.426 57.927 56.400 0.169 0.000 0.800 61 E CB -0.225 29.665 29.700 0.317 0.000 0.746 61 E HN 0.265 8.625 8.360 0.000 0.000 0.452 62 C N 0.838 120.238 119.300 0.167 0.000 2.429 62 C HA -0.110 4.350 4.460 0.001 0.000 0.277 62 C C 2.624 177.637 174.990 0.039 0.000 1.262 62 C CA 0.435 59.505 59.018 0.088 0.000 1.733 62 C CB -0.931 26.784 27.740 -0.042 0.000 2.010 62 C HN 0.396 8.626 8.230 0.000 0.000 0.483 63 L N 0.548 121.760 121.223 -0.018 0.000 2.046 63 L HA -0.183 4.157 4.340 0.001 0.000 0.208 63 L C 2.574 179.408 176.870 -0.060 0.000 1.077 63 L CA 1.585 56.386 54.840 -0.065 0.000 0.747 63 L CB -0.794 41.230 42.059 -0.057 0.000 0.896 63 L HN 0.446 8.676 8.230 0.000 0.000 0.432 64 E N -0.415 119.750 120.200 -0.058 0.000 2.267 64 E HA -0.212 4.139 4.350 0.001 0.000 0.197 64 E C 1.883 178.352 176.600 -0.220 0.000 0.998 64 E CA 1.052 57.362 56.400 -0.150 0.000 0.830 64 E CB -0.064 29.514 29.700 -0.203 0.000 0.751 64 E HN 0.417 8.777 8.360 0.000 0.000 0.491 65 F N 0.187 120.060 119.950 -0.130 0.000 2.710 65 F HA 0.036 4.564 4.527 0.001 0.000 0.298 65 F C 1.828 177.515 175.800 -0.189 0.000 1.137 65 F CA 0.297 58.208 58.000 -0.148 0.000 1.444 65 F CB -0.001 38.895 39.000 -0.174 0.000 1.111 65 F HN -0.017 8.283 8.300 0.000 0.000 0.580 66 I N -0.099 120.420 120.570 -0.085 0.000 2.127 66 I HA -0.378 3.792 4.170 0.001 0.000 0.241 66 I C 2.690 178.537 176.117 -0.450 0.000 1.075 66 I CA 1.442 62.563 61.300 -0.299 0.000 1.334 66 I CB -0.773 37.036 38.000 -0.319 0.000 1.040 66 I HN 0.111 8.321 8.210 0.000 0.000 0.405 67 A N 0.886 123.554 122.820 -0.254 0.000 1.940 67 A HA -0.195 4.125 4.320 0.001 0.000 0.219 67 A C 2.285 179.821 177.584 -0.079 0.000 1.176 67 A CA 1.671 53.627 52.037 -0.135 0.000 0.631 67 A CB -0.877 18.079 19.000 -0.073 0.000 0.814 67 A HN 0.440 8.590 8.150 0.000 0.000 0.446 68 I N -0.582 119.943 120.570 -0.075 0.000 2.252 68 I HA -0.231 3.940 4.170 0.001 0.000 0.245 68 I C 2.260 178.350 176.117 -0.046 0.000 1.102 68 I CA 1.253 62.543 61.300 -0.017 0.000 1.385 68 I CB -0.351 37.684 38.000 0.058 0.000 1.064 68 I HN 0.279 8.489 8.210 0.000 0.000 0.414 69 I N -0.216 120.280 120.570 -0.122 0.000 2.286 69 I HA -0.310 3.860 4.170 0.001 0.000 0.248 69 I C 2.446 178.422 176.117 -0.235 0.000 1.115 69 I CA 1.397 62.494 61.300 -0.338 0.000 1.392 69 I CB -0.372 37.433 38.000 -0.324 0.000 1.065 69 I HN 0.190 8.400 8.210 0.000 0.000 0.418 70 Y N 0.906 121.099 120.300 -0.178 0.000 2.220 70 Y HA -0.050 4.501 4.550 0.001 0.000 0.291 70 Y C 2.606 178.439 175.900 -0.110 0.000 1.129 70 Y CA 0.745 58.759 58.100 -0.143 0.000 1.161 70 Y CB -1.521 36.890 38.460 -0.081 0.000 0.997 70 Y HN 0.107 8.387 8.280 0.000 0.000 0.522 71 G N 0.037 108.885 108.800 0.081 0.000 2.433 71 G HA2 -0.290 3.670 3.960 0.001 0.000 0.216 71 G HA3 -0.290 3.670 3.960 0.001 0.000 0.216 71 G C 1.582 176.499 174.900 0.028 0.000 1.186 71 G CA 1.046 46.172 45.100 0.043 0.000 0.779 71 G HN 0.451 8.741 8.290 0.000 0.000 0.543 72 N N -0.136 118.567 118.700 0.005 0.000 2.104 72 N HA -0.121 4.620 4.740 0.001 0.000 0.190 72 N C 2.281 177.825 175.510 0.056 0.000 1.024 72 N CA 1.562 54.637 53.050 0.043 0.000 0.853 72 N CB -0.186 38.336 38.487 0.058 0.000 1.008 72 N HN 0.247 8.627 8.380 0.000 0.000 0.424 73 T N 1.573 116.109 114.554 -0.030 0.000 2.737 73 T HA -0.097 4.253 4.350 0.001 0.000 0.265 73 T C 1.928 176.632 174.700 0.007 0.000 1.038 73 T CA 0.626 62.721 62.100 -0.008 0.000 1.144 73 T CB -0.296 68.522 68.868 -0.082 0.000 0.866 73 T HN 0.110 8.350 8.240 0.000 0.000 0.434 74 L N 1.320 122.543 121.223 0.000 0.000 2.017 74 L HA -0.061 4.280 4.340 0.001 0.000 0.208 74 L C 2.608 179.501 176.870 0.038 0.000 1.073 74 L CA 1.899 56.742 54.840 0.006 0.000 0.745 74 L CB -0.891 41.166 42.059 -0.003 0.000 0.894 74 L HN 0.258 8.488 8.230 0.000 0.000 0.432 75 Q N -0.911 118.919 119.800 0.050 0.000 2.112 75 Q HA -0.224 4.116 4.340 0.001 0.000 0.206 75 Q C 2.069 178.129 176.000 0.099 0.000 0.987 75 Q CA 2.388 58.233 55.803 0.070 0.000 0.858 75 Q CB -0.104 28.676 28.738 0.071 0.000 0.905 75 Q HN 0.657 8.927 8.270 0.000 0.000 0.420 76 S N 0.627 116.395 115.700 0.114 0.000 2.348 76 S HA -0.167 4.303 4.470 0.001 0.000 0.221 76 S C 1.820 176.519 174.600 0.165 0.000 1.033 76 S CA 1.270 59.563 58.200 0.156 0.000 1.010 76 S CB -0.376 62.920 63.200 0.159 0.000 0.891 76 S HN 0.450 8.760 8.310 0.000 0.000 0.442 77 I N 1.997 122.637 120.570 0.117 0.000 2.286 77 I HA -0.090 4.081 4.170 0.001 0.000 0.248 77 I C 1.850 178.039 176.117 0.120 0.000 1.115 77 I CA 1.155 62.533 61.300 0.130 0.000 1.392 77 I CB -0.403 37.648 38.000 0.086 0.000 1.065 77 I HN 0.225 8.435 8.210 0.000 0.000 0.418 78 L N 0.125 121.402 121.223 0.090 0.000 2.083 78 L HA -0.191 4.149 4.340 0.001 0.000 0.209 78 L C 2.673 179.585 176.870 0.069 0.000 1.083 78 L CA 1.295 56.178 54.840 0.072 0.000 0.752 78 L CB -1.065 41.028 42.059 0.056 0.000 0.899 78 L HN 0.310 8.540 8.230 0.000 0.000 0.433 79 A N 0.538 123.421 122.820 0.104 0.000 1.877 79 A HA -0.189 4.132 4.320 0.001 0.000 0.216 79 A C 2.213 179.803 177.584 0.011 0.000 1.186 79 A CA 1.641 53.746 52.037 0.113 0.000 0.620 79 A CB -0.655 18.483 19.000 0.229 0.000 0.822 79 A HN 0.355 8.505 8.150 0.000 0.000 0.443 80 I N -0.570 120.064 120.570 0.107 0.000 2.179 80 I HA -0.207 3.964 4.170 0.001 0.000 0.242 80 I C 2.364 178.440 176.117 -0.067 0.000 1.088 80 I CA 1.080 62.401 61.300 0.036 0.000 1.357 80 I CB -0.450 37.713 38.000 0.272 0.000 1.051 80 I HN 0.149 8.359 8.210 0.000 0.000 0.409 81 V N 1.096 121.026 119.914 0.027 0.000 2.255 81 V HA -0.296 3.825 4.120 0.001 0.000 0.247 81 V C 2.583 178.661 176.094 -0.026 0.000 1.051 81 V CA 1.974 64.300 62.300 0.044 0.000 1.018 81 V CB -0.770 31.116 31.823 0.106 0.000 0.641 81 V HN 0.384 8.574 8.190 0.000 0.000 0.445 82 R N 0.122 120.595 120.500 -0.044 0.000 2.120 82 R HA 0.012 4.353 4.340 0.001 0.000 0.234 82 R C 1.319 177.532 176.300 -0.145 0.000 1.123 82 R CA 0.898 56.960 56.100 -0.062 0.000 0.975 82 R CB -0.434 29.846 30.300 -0.033 0.000 0.866 82 R HN 0.552 8.822 8.270 0.000 0.000 0.446 86 T N 1.883 116.398 114.554 -0.066 0.000 2.788 86 T HA 0.080 4.430 4.350 0.001 0.000 0.268 86 T C 1.697 176.373 174.700 -0.040 0.000 1.044 86 T CA 1.059 63.132 62.100 -0.046 0.000 1.139 86 T CB -0.560 68.282 68.868 -0.043 0.000 0.867 86 T HN 0.388 8.628 8.240 0.000 0.000 0.454 87 L N 0.963 122.148 121.223 -0.063 0.000 2.592 87 L HA 0.308 4.649 4.340 0.001 0.000 0.227 87 L C 1.185 178.030 176.870 -0.041 0.000 1.127 87 L CA 0.150 54.967 54.840 -0.039 0.000 0.884 87 L CB -0.755 41.284 42.059 -0.033 0.000 1.065 87 L HN 0.501 8.731 8.230 0.000 0.000 0.457 88 N N 1.444 120.113 118.700 -0.052 0.000 2.756 88 N HA -0.187 4.554 4.740 0.001 0.000 0.248 88 N C -0.407 175.068 175.510 -0.059 0.000 1.062 88 N CA -0.056 52.967 53.050 -0.045 0.000 0.696 88 N CB -0.559 37.914 38.487 -0.025 0.000 0.946 88 N HN 0.293 8.673 8.380 0.000 0.000 0.548 89 I N 1.554 122.066 120.570 -0.098 0.000 2.354 89 I HA 0.172 4.343 4.170 0.001 0.000 0.292 89 I C 0.473 176.489 176.117 -0.169 0.000 0.989 89 I CA -0.635 60.595 61.300 -0.117 0.000 1.188 89 I CB 1.626 39.548 38.000 -0.130 0.000 1.342 89 I HN 0.115 8.325 8.210 0.000 0.000 0.457 90 Q N 4.329 124.062 119.800 -0.112 0.000 2.293 90 Q HA 0.301 4.641 4.340 0.001 0.000 0.251 90 Q C -1.048 174.888 176.000 -0.106 0.000 0.930 90 Q CA -0.097 55.658 55.803 -0.080 0.000 0.893 90 Q CB 0.681 29.413 28.738 -0.011 0.000 1.215 90 Q HN 0.270 8.540 8.270 0.000 0.000 0.425 91 Y N -0.092 120.203 120.300 -0.008 0.000 2.457 91 Y HA 0.107 4.658 4.550 0.001 0.000 0.341 91 Y C 1.655 177.547 175.900 -0.013 0.000 1.240 91 Y CA 1.099 59.193 58.100 -0.010 0.000 1.437 91 Y CB 0.637 39.093 38.460 -0.008 0.000 1.328 91 Y HN 0.838 9.118 8.280 0.000 0.000 0.588 92 G N 0.401 109.298 108.800 0.161 0.000 2.408 92 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 92 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 92 G C -0.304 174.639 174.900 0.073 0.000 1.150 92 G CA 0.903 46.049 45.100 0.077 0.000 0.776 92 G HN 0.567 8.857 8.290 0.000 0.000 0.542 93 D N -1.638 118.814 120.400 0.087 0.000 2.629 93 D HA 0.458 5.098 4.640 0.001 0.000 0.250 93 D C 1.347 177.656 176.300 0.016 0.000 1.126 93 D CA -0.461 53.560 54.000 0.036 0.000 0.852 93 D CB 1.785 42.588 40.800 0.005 0.000 1.335 93 D HN -0.073 8.297 8.370 0.000 0.000 0.518 94 S N 2.310 118.016 115.700 0.009 0.000 2.380 94 S HA -0.260 4.211 4.470 0.001 0.000 0.229 94 S C 2.059 176.605 174.600 -0.090 0.000 1.043 94 S CA 1.412 59.602 58.200 -0.016 0.000 1.038 94 S CB -0.346 62.850 63.200 -0.007 0.000 0.872 94 S HN 0.685 8.995 8.310 0.000 0.000 0.456 95 A N 1.982 124.752 122.820 -0.083 0.000 2.032 95 A HA -0.167 4.154 4.320 0.001 0.000 0.221 95 A C 2.090 179.567 177.584 -0.179 0.000 1.165 95 A CA 1.213 53.188 52.037 -0.104 0.000 0.645 95 A CB -0.427 18.531 19.000 -0.070 0.000 0.807 95 A HN 0.267 8.417 8.150 0.000 0.000 0.453 96 R N -0.267 120.071 120.500 -0.270 0.000 2.152 96 R HA -0.126 4.215 4.340 0.001 0.000 0.232 96 R C 2.077 177.947 176.300 -0.717 0.000 1.117 96 R CA 1.415 57.232 56.100 -0.471 0.000 0.981 96 R CB -0.684 29.285 30.300 -0.551 0.000 0.870 96 R HN 0.777 9.047 8.270 0.000 0.000 0.451 97 Q N 0.434 119.853 119.800 -0.635 0.000 2.096 97 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 97 Q C 1.406 177.277 176.000 -0.215 0.000 0.982 97 Q CA 1.568 57.127 55.803 -0.408 0.000 0.850 97 Q CB -0.022 28.619 28.738 -0.161 0.000 0.901 97 Q HN 0.364 8.634 8.270 0.000 0.000 0.422 98 D N 0.418 120.716 120.400 -0.169 0.000 2.178 98 D HA -0.125 4.516 4.640 0.001 0.000 0.202 98 D C 1.237 177.479 176.300 -0.096 0.000 0.974 98 D CA 0.912 54.850 54.000 -0.104 0.000 0.841 98 D CB -0.096 40.655 40.800 -0.083 0.000 0.953 98 D HN 0.206 8.576 8.370 0.000 0.000 0.478 99 D N 1.049 121.371 120.400 -0.129 0.000 2.084 99 D HA -0.081 4.559 4.640 0.001 0.000 0.196 99 D C 2.149 178.411 176.300 -0.063 0.000 0.985 99 D CA 1.236 55.181 54.000 -0.092 0.000 0.826 99 D CB -0.347 40.389 40.800 -0.106 0.000 0.978 99 D HN 0.085 8.455 8.370 0.000 0.000 0.456 100 A N 1.024 123.785 122.820 -0.097 0.000 1.892 100 A HA -0.249 4.071 4.320 0.001 0.000 0.218 100 A C 2.192 179.785 177.584 0.015 0.000 1.188 100 A CA 2.051 54.083 52.037 -0.008 0.000 0.631 100 A CB -0.648 18.375 19.000 0.040 0.000 0.822 100 A HN 0.176 8.326 8.150 0.000 0.000 0.447 101 R N -0.326 120.170 120.500 -0.007 0.000 2.091 101 R HA -0.169 4.171 4.340 0.001 0.000 0.238 101 R C 2.283 178.600 176.300 0.029 0.000 1.136 101 R CA 1.994 58.101 56.100 0.012 0.000 0.959 101 R CB -0.245 30.048 30.300 -0.011 0.000 0.856 101 R HN 0.564 8.834 8.270 0.000 0.000 0.437 102 K N 0.099 120.506 120.400 0.011 0.000 2.062 102 K HA -0.092 4.229 4.320 0.001 0.000 0.205 102 K C 0.953 177.597 176.600 0.072 0.000 1.051 102 K CA 0.443 56.753 56.287 0.038 0.000 0.941 102 K CB -0.211 32.293 32.500 0.007 0.000 0.719 102 K HN 0.039 8.289 8.250 0.000 0.000 0.440 108 D N -0.191 120.152 120.400 -0.093 0.000 2.738 108 D HA 0.478 5.119 4.640 0.001 0.000 0.246 108 D C 0.599 176.813 176.300 -0.143 0.000 1.270 108 D CA 0.904 54.850 54.000 -0.089 0.000 0.833 108 D CB 0.766 41.531 40.800 -0.058 0.000 1.040 108 D HN 0.129 8.499 8.370 0.000 0.000 0.487 109 T N -0.583 113.869 114.554 -0.170 0.000 3.250 109 T HA 0.126 4.476 4.350 0.001 0.000 0.265 109 T C 0.765 175.404 174.700 -0.102 0.000 0.973 109 T CA -0.265 61.723 62.100 -0.186 0.000 1.040 109 T CB 0.382 69.039 68.868 -0.352 0.000 1.167 109 T HN 0.328 8.568 8.240 0.000 0.000 0.471 110 I N 2.034 122.553 120.570 -0.086 0.000 2.823 110 I HA 0.454 4.624 4.170 0.001 0.000 0.290 110 I C 0.266 176.363 176.117 -0.033 0.000 1.091 110 I CA -0.558 60.712 61.300 -0.049 0.000 1.365 110 I CB 0.313 38.287 38.000 -0.044 0.000 1.427 110 I HN 0.244 8.454 8.210 0.000 0.000 0.583 111 E N 3.203 123.392 120.200 -0.018 0.000 2.398 111 E HA 0.017 4.368 4.350 0.001 0.000 0.263 111 E C -0.351 176.250 176.600 0.001 0.000 1.046 111 E CA -0.440 55.955 56.400 -0.007 0.000 0.908 111 E CB 0.612 30.313 29.700 0.001 0.000 0.963 111 E HN 0.553 8.913 8.360 0.000 0.000 0.431 112 E N 2.123 122.324 120.200 0.003 0.000 2.442 112 E HA 0.069 4.419 4.350 0.001 0.000 0.262 112 E C 0.842 177.458 176.600 0.027 0.000 1.004 112 E CA 0.862 57.268 56.400 0.010 0.000 0.928 112 E CB 0.629 30.332 29.700 0.005 0.000 0.937 112 E HN 0.884 9.244 8.360 0.000 0.000 0.446 113 G N 2.335 111.164 108.800 0.047 0.000 2.162 113 G HA2 -0.300 3.661 3.960 0.001 0.000 0.260 113 G HA3 -0.300 3.661 3.960 0.001 0.000 0.260 113 G C 0.524 175.537 174.900 0.188 0.000 0.976 113 G CA 0.911 46.065 45.100 0.090 0.000 0.655 113 G HN 0.761 9.051 8.290 0.000 0.000 0.533 117 K N 0.504 120.855 120.400 -0.081 0.000 2.063 117 K HA -0.138 4.182 4.320 0.001 0.000 0.208 117 K C 0.759 177.321 176.600 -0.063 0.000 1.048 117 K CA 1.423 57.667 56.287 -0.072 0.000 0.928 117 K CB 0.195 32.667 32.500 -0.048 0.000 0.713 117 K HN 0.619 8.869 8.250 0.000 0.000 0.442 121 D N 2.460 122.824 120.400 -0.059 0.000 2.104 121 D HA 0.055 4.696 4.640 0.001 0.000 0.194 121 D C 1.809 178.096 176.300 -0.023 0.000 0.994 121 D CA 1.576 55.554 54.000 -0.037 0.000 0.830 121 D CB -0.365 40.415 40.800 -0.034 0.000 0.959 121 D HN 0.471 8.841 8.370 0.000 0.000 0.452 122 I N 0.713 121.269 120.570 -0.024 0.000 2.179 122 I HA -0.243 3.927 4.170 0.001 0.000 0.242 122 I C 2.419 178.541 176.117 0.008 0.000 1.088 122 I CA 0.774 62.067 61.300 -0.013 0.000 1.357 122 I CB -0.140 37.852 38.000 -0.015 0.000 1.051 122 I HN -0.034 8.176 8.210 0.000 0.000 0.409 123 I N 0.185 120.755 120.570 0.000 0.000 2.208 123 I HA -0.330 3.840 4.170 0.001 0.000 0.245 123 I C 2.568 178.725 176.117 0.067 0.000 1.097 123 I CA 1.485 62.800 61.300 0.024 0.000 1.363 123 I CB -0.485 37.499 38.000 -0.028 0.000 1.051 123 I HN 0.331 8.541 8.210 0.000 0.000 0.413 124 Q N 0.215 120.036 119.800 0.036 0.000 2.124 124 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 124 Q C 2.382 178.447 176.000 0.108 0.000 0.977 124 Q CA 1.196 57.046 55.803 0.078 0.000 0.850 124 Q CB -0.178 28.574 28.738 0.024 0.000 0.901 124 Q HN 0.477 8.747 8.270 0.000 0.000 0.429 125 R N 0.445 120.980 120.500 0.059 0.000 2.066 125 R HA -0.083 4.258 4.340 0.001 0.000 0.232 125 R C 2.355 178.695 176.300 0.067 0.000 1.131 125 R CA 0.996 57.121 56.100 0.042 0.000 0.955 125 R CB -0.225 30.079 30.300 0.008 0.000 0.851 125 R HN 0.216 8.486 8.270 0.000 0.000 0.432 126 L N -0.577 120.702 121.223 0.094 0.000 2.017 126 L HA -0.237 4.103 4.340 0.001 0.000 0.208 126 L C 2.429 179.408 176.870 0.181 0.000 1.073 126 L CA 1.299 56.223 54.840 0.141 0.000 0.745 126 L CB -0.571 41.586 42.059 0.163 0.000 0.894 126 L HN 0.476 8.706 8.230 0.000 0.000 0.432 127 W N 1.473 122.768 121.300 -0.007 0.000 2.325 127 W HA -0.234 4.425 4.660 -0.000 0.000 0.299 127 W C 2.007 178.501 176.519 -0.041 0.000 1.215 127 W CA 1.180 58.499 57.345 -0.044 0.000 1.244 127 W CB 0.104 29.519 29.460 -0.075 0.000 1.140 127 W HN 0.105 8.285 8.180 0.000 0.000 0.523 128 K N 0.380 120.761 120.400 -0.032 0.000 2.366 128 K HA -0.060 4.260 4.320 0.001 0.000 0.198 128 K C -0.069 176.461 176.600 -0.117 0.000 1.044 128 K CA 0.658 56.871 56.287 -0.123 0.000 0.973 128 K CB -0.893 31.591 32.500 -0.026 0.000 0.767 128 K HN 0.178 8.428 8.250 0.000 0.000 0.475 129 D N 0.654 121.021 120.400 -0.055 0.000 2.424 129 D HA -0.023 4.618 4.640 0.001 0.000 0.244 129 D C 1.108 177.374 176.300 -0.057 0.000 1.134 129 D CA 0.126 54.121 54.000 -0.008 0.000 0.881 129 D CB 1.023 41.887 40.800 0.108 0.000 1.191 129 D HN 0.034 8.404 8.370 0.000 0.000 0.445 130 S N 1.872 117.549 115.700 -0.039 0.000 2.402 130 S HA -0.073 4.398 4.470 0.001 0.000 0.229 130 S C 2.053 176.626 174.600 -0.045 0.000 1.021 130 S CA 0.647 58.814 58.200 -0.055 0.000 0.974 130 S CB -0.422 62.757 63.200 -0.036 0.000 0.800 130 S HN 0.574 8.884 8.310 0.000 0.000 0.484 131 G N 2.436 111.221 108.800 -0.025 0.000 2.404 131 G HA2 -0.044 3.916 3.960 0.001 0.000 0.215 131 G HA3 -0.044 3.916 3.960 0.001 0.000 0.215 131 G C 1.400 176.249 174.900 -0.086 0.000 1.174 131 G CA 0.877 45.934 45.100 -0.072 0.000 0.780 131 G HN 0.436 8.726 8.290 0.000 0.000 0.537 132 I N 0.813 121.355 120.570 -0.048 0.000 2.163 132 I HA -0.159 4.011 4.170 0.001 0.000 0.243 132 I C 2.898 179.014 176.117 -0.003 0.000 1.085 132 I CA 1.188 62.485 61.300 -0.004 0.000 1.347 132 I CB -0.907 37.135 38.000 0.070 0.000 1.044 132 I HN 0.214 8.424 8.210 0.000 0.000 0.408 133 Q N 0.316 120.053 119.800 -0.105 0.000 2.124 133 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 133 Q C 2.361 178.385 176.000 0.040 0.000 0.977 133 Q CA 1.781 57.513 55.803 -0.120 0.000 0.850 133 Q CB -0.423 28.177 28.738 -0.231 0.000 0.901 133 Q HN 0.565 8.835 8.270 0.000 0.000 0.429 134 A N -0.022 122.803 122.820 0.009 0.000 1.930 134 A HA -0.166 4.154 4.320 0.001 0.000 0.217 134 A C 2.488 180.107 177.584 0.058 0.000 1.175 134 A CA 1.391 53.441 52.037 0.021 0.000 0.627 134 A CB -1.079 17.915 19.000 -0.011 0.000 0.815 134 A HN 0.503 8.653 8.150 0.000 0.000 0.443 135 C N -1.457 117.882 119.300 0.066 0.000 2.446 135 C HA -0.072 4.389 4.460 0.001 0.000 0.277 135 C C 2.431 177.585 174.990 0.273 0.000 1.275 135 C CA 1.109 60.195 59.018 0.112 0.000 1.727 135 C CB -1.552 26.198 27.740 0.017 0.000 2.010 135 C HN 0.661 8.891 8.230 0.000 0.000 0.486 136 F N 2.214 122.248 119.950 0.140 0.000 2.126 136 F HA -0.124 4.403 4.527 0.000 0.000 0.299 136 F C 1.954 177.826 175.800 0.121 0.000 1.096 136 F CA 2.379 60.499 58.000 0.200 0.000 1.255 136 F CB -0.634 38.456 39.000 0.151 0.000 0.997 136 F HN 0.235 8.535 8.300 0.000 0.000 0.479 137 D N 0.187 120.587 120.400 -0.000 0.000 2.309 137 D HA -0.109 4.531 4.640 0.001 0.000 0.212 137 D C 1.417 177.630 176.300 -0.144 0.000 0.968 137 D CA 0.956 54.877 54.000 -0.131 0.000 0.882 137 D CB -0.307 40.494 40.800 0.002 0.000 0.918 137 D HN 0.395 8.765 8.370 0.000 0.000 0.503 138 R N 0.218 120.688 120.500 -0.050 0.000 2.702 138 R HA 0.358 4.698 4.340 0.001 0.000 0.314 138 R C 1.418 177.647 176.300 -0.119 0.000 1.152 138 R CA -0.197 55.886 56.100 -0.027 0.000 1.097 138 R CB 0.519 30.862 30.300 0.072 0.000 1.343 138 R HN -0.032 8.239 8.270 0.000 0.000 0.575 139 A N 0.408 122.997 122.820 -0.384 0.000 1.978 139 A HA -0.172 4.149 4.320 0.001 0.000 0.220 139 A C 2.016 179.160 177.584 -0.733 0.000 1.170 139 A CA 1.614 53.131 52.037 -0.867 0.000 0.636 139 A CB -0.177 18.435 19.000 -0.647 0.000 0.810 139 A HN 0.289 8.439 8.150 0.000 0.000 0.448 140 S N -0.139 115.320 115.700 -0.401 0.000 2.402 140 S HA -0.203 4.267 4.470 0.001 0.000 0.233 140 S C 1.560 176.035 174.600 -0.207 0.000 1.030 140 S CA 1.672 59.705 58.200 -0.279 0.000 1.003 140 S CB -0.308 62.763 63.200 -0.216 0.000 0.813 140 S HN 0.762 9.072 8.310 0.000 0.000 0.477 141 E N -0.390 119.718 120.200 -0.154 0.000 2.482 141 E HA 0.030 4.380 4.350 0.001 0.000 0.196 141 E C 0.099 176.770 176.600 0.119 0.000 1.047 141 E CA 0.370 56.776 56.400 0.009 0.000 0.869 141 E CB 0.160 29.916 29.700 0.095 0.000 0.836 141 E HN 0.782 9.142 8.360 0.000 0.000 0.520 142 Y N -2.516 117.768 120.300 -0.026 0.000 2.889 142 Y HA 0.471 5.022 4.550 0.002 0.000 0.317 142 Y C -0.791 175.105 175.900 -0.007 0.000 1.414 142 Y CA -1.547 56.547 58.100 -0.008 0.000 1.091 142 Y CB 0.573 39.036 38.460 0.004 0.000 1.358 142 Y HN -0.388 7.892 8.280 0.000 0.000 0.487 143 Q N 1.828 121.727 119.800 0.165 0.000 2.368 143 Q HA 0.480 4.821 4.340 0.001 0.000 0.256 143 Q C -1.729 174.332 176.000 0.102 0.000 0.980 143 Q CA -0.402 55.436 55.803 0.059 0.000 0.887 143 Q CB 1.935 30.723 28.738 0.083 0.000 1.221 143 Q HN 0.705 8.975 8.270 0.000 0.000 0.458 144 L N 3.217 124.423 121.223 -0.029 0.000 2.408 144 L HA 0.441 4.781 4.340 0.001 0.000 0.268 144 L C -0.907 175.984 176.870 0.036 0.000 0.986 144 L CA -0.529 54.339 54.840 0.047 0.000 0.820 144 L CB 1.675 43.721 42.059 -0.023 0.000 1.303 144 L HN 0.366 8.596 8.230 0.000 0.000 0.411 145 N N 2.865 121.620 118.700 0.092 0.000 2.345 145 N HA 0.004 4.745 4.740 0.001 0.000 0.243 145 N C 0.425 175.978 175.510 0.071 0.000 1.246 145 N CA 0.142 53.242 53.050 0.084 0.000 0.863 145 N CB 0.403 38.965 38.487 0.125 0.000 1.096 145 N HN 0.585 8.965 8.380 0.000 0.000 0.446 146 D N 0.192 120.615 120.400 0.038 0.000 2.178 146 D HA -0.090 4.550 4.640 0.001 0.000 0.201 146 D C 0.391 176.711 176.300 0.034 0.000 0.980 146 D CA 1.198 55.211 54.000 0.020 0.000 0.842 146 D CB 0.035 40.830 40.800 -0.008 0.000 0.948 146 D HN 0.413 8.783 8.370 0.000 0.000 0.472 147 S N 0.488 116.198 115.700 0.018 0.000 2.631 147 S HA 0.197 4.668 4.470 0.001 0.000 0.217 147 S C 1.812 176.449 174.600 0.062 0.000 0.958 147 S CA 0.067 58.235 58.200 -0.054 0.000 0.920 147 S CB 0.533 63.590 63.200 -0.238 0.000 0.776 147 S HN 0.262 8.572 8.310 0.000 0.000 0.517 148 A N 2.238 125.157 122.820 0.165 0.000 1.859 148 A HA -0.073 4.247 4.320 0.001 0.000 0.217 148 A C 2.321 179.936 177.584 0.053 0.000 1.198 148 A CA 1.973 54.130 52.037 0.199 0.000 0.629 148 A CB -1.540 17.668 19.000 0.347 0.000 0.830 148 A HN 0.526 8.676 8.150 0.000 0.000 0.446 149 G N -2.138 106.782 108.800 0.200 0.000 2.418 149 G HA2 -0.271 3.689 3.960 0.001 0.000 0.217 149 G HA3 -0.271 3.689 3.960 0.001 0.000 0.217 149 G C 1.529 176.348 174.900 -0.135 0.000 1.158 149 G CA 1.326 46.417 45.100 -0.014 0.000 0.771 149 G HN 0.611 8.901 8.290 0.000 0.000 0.545 150 Y N 0.530 120.744 120.300 -0.144 0.000 2.053 150 Y HA -0.270 4.280 4.550 0.000 0.000 0.277 150 Y C 2.661 178.408 175.900 -0.254 0.000 1.159 150 Y CA 2.075 60.034 58.100 -0.234 0.000 1.125 150 Y CB -0.372 37.859 38.460 -0.381 0.000 0.969 150 Y HN 0.236 8.516 8.280 0.000 0.000 0.492 151 Y N -0.237 120.053 120.300 -0.016 0.000 2.184 151 Y HA -0.166 4.384 4.550 0.001 0.000 0.290 151 Y C 2.433 178.114 175.900 -0.365 0.000 1.129 151 Y CA 1.366 59.387 58.100 -0.133 0.000 1.144 151 Y CB -0.956 37.510 38.460 0.011 0.000 0.995 151 Y HN 0.130 8.410 8.280 0.000 0.000 0.513 152 L N -1.191 119.793 121.223 -0.398 0.000 2.131 152 L HA -0.218 4.123 4.340 0.001 0.000 0.210 152 L C 2.213 178.419 176.870 -1.108 0.000 1.092 152 L CA 1.418 55.736 54.840 -0.871 0.000 0.759 152 L CB -0.595 40.617 42.059 -1.411 0.000 0.903 152 L HN 0.069 8.299 8.230 0.000 0.000 0.435 153 S N -1.333 113.853 115.700 -0.857 0.000 2.515 153 S HA -0.114 4.357 4.470 0.001 0.000 0.231 153 S C 1.030 175.478 174.600 -0.253 0.000 0.987 153 S CA 0.834 58.805 58.200 -0.381 0.000 0.936 153 S CB -0.079 63.055 63.200 -0.109 0.000 0.766 153 S HN 0.340 8.650 8.310 0.000 0.000 0.528 154 D N 0.181 120.395 120.400 -0.311 0.000 2.650 154 D HA 0.198 4.839 4.640 0.001 0.000 0.265 154 D C 0.977 177.161 176.300 -0.194 0.000 1.339 154 D CA -0.188 53.674 54.000 -0.229 0.000 0.816 154 D CB 0.000 40.624 40.800 -0.293 0.000 1.091 154 D HN 0.100 8.470 8.370 0.000 0.000 0.483 155 L N 0.814 121.911 121.223 -0.211 0.000 2.127 155 L HA -0.104 4.236 4.340 0.001 0.000 0.211 155 L C 1.972 178.740 176.870 -0.169 0.000 1.089 155 L CA 1.860 56.587 54.840 -0.189 0.000 0.757 155 L CB -0.219 41.719 42.059 -0.202 0.000 0.899 155 L HN -0.013 8.217 8.230 0.000 0.000 0.434 156 E N 0.023 120.145 120.200 -0.130 0.000 2.058 156 E HA -0.283 4.068 4.350 0.001 0.000 0.194 156 E C 2.453 178.983 176.600 -0.117 0.000 0.997 156 E CA 1.737 58.075 56.400 -0.103 0.000 0.801 156 E CB -0.294 29.367 29.700 -0.065 0.000 0.746 156 E HN 0.485 8.845 8.360 0.000 0.000 0.450 157 R N -0.045 120.382 120.500 -0.122 0.000 2.083 157 R HA -0.112 4.228 4.340 0.001 0.000 0.237 157 R C 2.424 178.549 176.300 -0.292 0.000 1.137 157 R CA 1.673 57.705 56.100 -0.115 0.000 0.951 157 R CB -0.424 29.837 30.300 -0.065 0.000 0.851 157 R HN 0.280 8.550 8.270 0.000 0.000 0.434 158 L N 0.833 121.780 121.223 -0.460 0.000 2.127 158 L HA -0.117 4.224 4.340 0.001 0.000 0.211 158 L C 2.151 178.665 176.870 -0.593 0.000 1.089 158 L CA 1.101 55.379 54.840 -0.936 0.000 0.757 158 L CB -0.371 41.428 42.059 -0.433 0.000 0.899 158 L HN 0.247 8.477 8.230 0.000 0.000 0.434 159 V N -5.653 114.105 119.914 -0.260 0.000 3.621 159 V HA 0.146 4.266 4.120 0.001 0.000 0.285 159 V C 0.922 176.997 176.094 -0.032 0.000 1.346 159 V CA -0.256 61.977 62.300 -0.112 0.000 1.104 159 V CB -0.452 31.273 31.823 -0.164 0.000 0.913 159 V HN 0.140 8.330 8.190 0.000 0.000 0.432 160 T N 4.039 118.578 114.554 -0.026 0.000 2.834 160 T HA 0.320 4.671 4.350 0.001 0.000 0.298 160 T C -2.256 172.502 174.700 0.096 0.000 0.966 160 T CA -0.297 61.821 62.100 0.030 0.000 1.141 160 T CB 0.880 69.766 68.868 0.031 0.000 0.905 160 T HN 0.328 8.568 8.240 0.000 0.000 0.535 161 P HA 0.159 4.579 4.420 0.000 0.000 0.266 161 P C 1.082 178.438 177.300 0.094 0.000 1.186 161 P CA 0.892 64.042 63.100 0.084 0.000 0.767 161 P CB 0.233 31.963 31.700 0.050 0.000 0.820 162 G N 1.059 109.914 108.800 0.092 0.000 2.179 162 G HA2 -0.310 3.651 3.960 0.001 0.000 0.260 162 G HA3 -0.310 3.651 3.960 0.001 0.000 0.260 162 G C 0.032 174.984 174.900 0.086 0.000 0.977 162 G CA -0.079 45.062 45.100 0.067 0.000 0.641 162 G HN 0.618 8.908 8.290 0.000 0.000 0.533 163 Y N 1.222 121.534 120.300 0.019 0.000 2.717 163 Y HA 0.388 4.938 4.550 0.001 0.000 0.330 163 Y C 0.112 176.013 175.900 0.002 0.000 1.217 163 Y CA 0.229 58.340 58.100 0.018 0.000 1.506 163 Y CB 0.686 39.171 38.460 0.040 0.000 1.268 163 Y HN 0.290 8.570 8.280 0.000 0.000 0.561 164 V N 9.187 128.686 119.914 -0.693 0.000 2.525 164 V HA 0.315 4.435 4.120 0.001 0.000 0.299 164 V C -2.265 173.348 176.094 -0.801 0.000 1.034 164 V CA -2.087 59.821 62.300 -0.652 0.000 0.863 164 V CB 1.706 33.367 31.823 -0.269 0.000 0.999 164 V HN 0.724 8.914 8.190 0.000 0.000 0.423 165 P HA 0.144 4.564 4.420 0.000 0.000 0.265 165 P C 0.320 177.501 177.300 -0.200 0.000 1.193 165 P CA 0.328 63.197 63.100 -0.385 0.000 0.765 165 P CB 0.326 31.892 31.700 -0.225 0.000 0.823 166 T N -0.884 113.626 114.554 -0.074 0.000 2.824 166 T HA 0.200 4.551 4.350 0.001 0.000 0.277 166 T C 1.126 175.751 174.700 -0.125 0.000 0.975 166 T CA -0.468 61.594 62.100 -0.062 0.000 0.966 166 T CB 0.683 69.560 68.868 0.014 0.000 1.054 166 T HN 0.335 8.575 8.240 0.000 0.000 0.533 167 E N -0.182 119.947 120.200 -0.117 0.000 2.077 167 E HA -0.193 4.158 4.350 0.001 0.000 0.193 167 E C 2.193 178.678 176.600 -0.191 0.000 0.989 167 E CA 1.041 57.338 56.400 -0.172 0.000 0.800 167 E CB -0.121 29.522 29.700 -0.095 0.000 0.746 167 E HN 0.686 9.046 8.360 0.000 0.000 0.452 168 Q N 1.197 120.929 119.800 -0.113 0.000 2.124 168 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 168 Q C 1.374 177.262 176.000 -0.186 0.000 0.977 168 Q CA 1.694 57.415 55.803 -0.136 0.000 0.850 168 Q CB -0.028 28.692 28.738 -0.029 0.000 0.901 168 Q HN 0.167 8.437 8.270 0.000 0.000 0.429 169 D N -0.920 119.469 120.400 -0.019 0.000 2.097 169 D HA -0.132 4.509 4.640 0.001 0.000 0.195 169 D C 1.880 178.135 176.300 -0.075 0.000 0.989 169 D CA 1.400 55.476 54.000 0.127 0.000 0.827 169 D CB -0.248 40.701 40.800 0.248 0.000 0.966 169 D HN 0.165 8.535 8.370 0.000 0.000 0.456 170 V N 1.054 120.768 119.914 -0.333 0.000 2.295 170 V HA -0.220 3.901 4.120 0.001 0.000 0.246 170 V C 2.670 178.433 176.094 -0.552 0.000 1.049 170 V CA 1.175 63.029 62.300 -0.744 0.000 1.024 170 V CB -0.506 30.604 31.823 -1.188 0.000 0.648 170 V HN 0.192 8.382 8.190 0.000 0.000 0.447 171 L N -0.504 120.481 121.223 -0.396 0.000 2.079 171 L HA -0.157 4.183 4.340 0.001 0.000 0.210 171 L C 2.624 179.341 176.870 -0.255 0.000 1.081 171 L CA 1.347 56.017 54.840 -0.284 0.000 0.752 171 L CB -0.523 41.391 42.059 -0.241 0.000 0.896 171 L HN 0.228 8.458 8.230 0.000 0.000 0.433 172 R N 0.160 120.467 120.500 -0.322 0.000 2.307 172 R HA 0.048 4.388 4.340 0.001 0.000 0.199 172 R C 1.110 177.368 176.300 -0.070 0.000 1.000 172 R CA 0.306 56.183 56.100 -0.372 0.000 1.023 172 R CB -0.495 29.245 30.300 -0.932 0.000 0.908 172 R HN 0.450 8.720 8.270 0.000 0.000 0.473 173 S N 0.463 116.184 115.700 0.034 0.000 2.624 173 S HA 0.381 4.852 4.470 0.001 0.000 0.263 173 S C 0.206 174.871 174.600 0.108 0.000 1.287 173 S CA -0.550 57.748 58.200 0.163 0.000 0.990 173 S CB 1.873 65.164 63.200 0.152 0.000 0.950 173 S HN 0.065 8.375 8.310 0.000 0.000 0.561 174 R N 0.659 121.240 120.500 0.134 0.000 2.510 174 R HA 0.510 4.851 4.340 0.001 0.000 0.294 174 R C -1.851 174.505 176.300 0.093 0.000 1.056 174 R CA -0.463 55.695 56.100 0.098 0.000 0.918 174 R CB 1.980 32.331 30.300 0.086 0.000 1.187 174 R HN 0.622 8.892 8.270 0.000 0.000 0.437 175 V N 3.231 123.197 119.914 0.086 0.000 2.555 175 V HA 0.392 4.513 4.120 0.001 0.000 0.302 175 V C 0.015 176.133 176.094 0.040 0.000 1.038 175 V CA -1.239 61.096 62.300 0.059 0.000 0.887 175 V CB 2.075 33.928 31.823 0.049 0.000 0.991 175 V HN 0.408 8.598 8.190 0.000 0.000 0.434 176 K N 3.708 124.125 120.400 0.028 0.000 2.339 176 K HA 0.550 4.870 4.320 0.001 0.000 0.286 176 K C 0.184 176.792 176.600 0.013 0.000 1.050 176 K CA 0.138 56.438 56.287 0.022 0.000 0.956 176 K CB 1.265 33.778 32.500 0.021 0.000 0.990 176 K HN 1.108 9.358 8.250 0.000 0.000 0.475 177 T N -1.392 113.170 114.554 0.013 0.000 2.864 177 T HA 0.467 4.817 4.350 0.001 0.000 0.299 177 T C -0.364 174.337 174.700 0.001 0.000 1.166 177 T CA -0.784 61.319 62.100 0.005 0.000 1.007 177 T CB 2.056 70.928 68.868 0.007 0.000 1.219 177 T HN 0.280 8.520 8.240 0.000 0.000 0.506 178 T N -0.512 114.039 114.554 -0.006 0.000 2.893 178 T HA 0.752 5.102 4.350 0.001 0.000 0.291 178 T C 0.024 174.710 174.700 -0.025 0.000 1.028 178 T CA 0.928 63.019 62.100 -0.014 0.000 0.995 178 T CB 0.634 69.496 68.868 -0.011 0.000 1.051 178 T HN 2.104 10.344 8.240 0.000 0.000 0.470 179 G N 2.563 111.337 108.800 -0.044 0.000 2.663 179 G HA2 -0.054 3.906 3.960 0.001 0.000 0.686 179 G HA3 -0.054 3.906 3.960 0.001 0.000 0.686 179 G C -0.638 174.229 174.900 -0.056 0.000 1.246 179 G CA -0.461 44.605 45.100 -0.056 0.000 0.795 179 G HN 0.998 9.288 8.290 0.000 0.000 0.627 180 I N 0.076 120.608 120.570 -0.064 0.000 2.696 180 I HA 0.550 4.720 4.170 0.001 0.000 0.284 180 I C 0.056 176.179 176.117 0.010 0.000 1.129 180 I CA -0.621 60.658 61.300 -0.036 0.000 1.410 180 I CB 0.337 38.319 38.000 -0.030 0.000 1.399 180 I HN 0.450 8.660 8.210 0.000 0.000 0.579 181 I N 7.002 127.596 120.570 0.040 0.000 2.406 181 I HA 0.358 4.529 4.170 0.001 0.000 0.290 181 I C -0.312 175.877 176.117 0.121 0.000 0.999 181 I CA -0.075 61.262 61.300 0.062 0.000 1.124 181 I CB 1.621 39.650 38.000 0.048 0.000 1.289 181 I HN 0.523 8.733 8.210 0.000 0.000 0.441 182 E N 3.505 123.785 120.200 0.133 0.000 2.266 182 E HA 0.605 4.955 4.350 0.001 0.000 0.268 182 E C -1.349 175.342 176.600 0.153 0.000 0.879 182 E CA -0.575 55.948 56.400 0.205 0.000 0.762 182 E CB 1.826 31.680 29.700 0.255 0.000 1.199 182 E HN 0.504 8.864 8.360 0.000 0.000 0.422 183 T N 2.854 117.507 114.554 0.165 0.000 2.841 183 T HA 0.381 4.732 4.350 0.001 0.000 0.283 183 T C -1.315 173.520 174.700 0.225 0.000 1.000 183 T CA -0.453 61.751 62.100 0.172 0.000 0.977 183 T CB 1.262 70.222 68.868 0.152 0.000 0.979 183 T HN 0.480 8.720 8.240 0.000 0.000 0.446 184 Q N 3.117 123.050 119.800 0.222 0.000 2.353 184 Q HA 0.730 5.071 4.340 0.001 0.000 0.268 184 Q C -1.227 174.933 176.000 0.267 0.000 1.045 184 Q CA -0.819 55.077 55.803 0.154 0.000 0.811 184 Q CB 2.176 30.976 28.738 0.103 0.000 1.305 184 Q HN 0.717 8.987 8.270 0.000 0.000 0.447 185 F N -2.269 117.743 119.950 0.104 0.000 2.741 185 F HA 0.690 5.218 4.527 0.001 0.000 0.313 185 F C -1.033 174.867 175.800 0.167 0.000 1.153 185 F CA -1.109 56.941 58.000 0.084 0.000 0.931 185 F CB 1.113 40.114 39.000 0.002 0.000 1.335 185 F HN 0.243 8.543 8.300 0.000 0.000 0.460 186 S N 1.309 117.222 115.700 0.355 0.000 2.509 186 S HA 0.807 5.278 4.470 0.001 0.000 0.297 186 S C -1.831 173.053 174.600 0.473 0.000 1.118 186 S CA -0.403 57.991 58.200 0.325 0.000 1.074 186 S CB 1.320 64.659 63.200 0.232 0.000 1.038 186 S HN 0.659 8.969 8.310 0.000 0.000 0.498 187 F N 2.271 122.352 119.950 0.218 0.000 2.652 187 F HA 0.346 4.874 4.527 0.001 0.000 0.320 187 F C -0.521 175.408 175.800 0.215 0.000 1.115 187 F CA -1.252 56.821 58.000 0.121 0.000 1.053 187 F CB 0.681 39.537 39.000 -0.239 0.000 1.297 187 F HN 0.707 9.007 8.300 0.000 0.000 0.471 188 K N 4.605 124.866 120.400 -0.232 0.000 3.071 188 K HA -0.206 4.115 4.320 0.001 0.000 0.265 188 K C -0.386 176.187 176.600 -0.046 0.000 1.060 188 K CA 1.171 57.294 56.287 -0.273 0.000 0.767 188 K CB -1.147 31.036 32.500 -0.529 0.000 1.241 188 K HN 0.811 9.061 8.250 0.000 0.000 0.486 189 D N -1.519 118.905 120.400 0.041 0.000 2.870 189 D HA -0.209 4.432 4.640 0.001 0.000 0.228 189 D C -0.203 176.130 176.300 0.055 0.000 1.147 189 D CA 1.601 55.631 54.000 0.050 0.000 0.757 189 D CB -0.944 39.865 40.800 0.015 0.000 1.091 189 D HN 0.402 8.772 8.370 0.000 0.000 0.429 190 L N -0.341 120.953 121.223 0.118 0.000 2.359 190 L HA 0.407 4.747 4.340 0.001 0.000 0.256 190 L C 0.279 177.232 176.870 0.139 0.000 1.026 190 L CA -0.956 53.922 54.840 0.063 0.000 0.828 190 L CB 1.787 43.821 42.059 -0.042 0.000 1.406 190 L HN -0.203 8.027 8.230 0.000 0.000 0.413 191 N N 0.756 119.444 118.700 -0.019 0.000 2.473 191 N HA 0.559 5.299 4.740 0.001 0.000 0.291 191 N C -1.488 173.906 175.510 -0.192 0.000 1.083 191 N CA -0.273 52.774 53.050 -0.005 0.000 0.951 191 N CB 1.875 40.341 38.487 -0.035 0.000 1.164 191 N HN 0.191 8.571 8.380 0.000 0.000 0.480 192 F N 0.720 120.434 119.950 -0.392 0.000 2.532 192 F HA 0.513 5.041 4.527 0.001 0.000 0.321 192 F C 0.778 176.290 175.800 -0.481 0.000 1.089 192 F CA -0.664 57.005 58.000 -0.551 0.000 0.926 192 F CB 1.771 40.093 39.000 -1.129 0.000 1.168 192 F HN 0.140 8.440 8.300 0.000 0.000 0.459 196 D N 1.037 121.492 120.400 0.091 0.000 2.696 196 D HA 0.404 5.045 4.640 0.001 0.000 0.251 196 D C 0.486 176.779 176.300 -0.011 0.000 1.188 196 D CA -0.634 53.364 54.000 -0.004 0.000 0.876 196 D CB 2.352 43.145 40.800 -0.011 0.000 1.334 196 D HN 0.679 9.049 8.370 0.000 0.000 0.540 197 V N 2.730 122.599 119.914 -0.075 0.000 2.913 197 V HA 0.222 4.343 4.120 0.001 0.000 0.260 197 V C 1.459 177.479 176.094 -0.123 0.000 1.098 197 V CA 1.471 63.681 62.300 -0.149 0.000 1.121 197 V CB -1.440 30.167 31.823 -0.359 0.000 0.714 197 V HN 0.836 9.026 8.190 0.000 0.000 0.487 198 G N 0.502 109.265 108.800 -0.061 0.000 2.594 198 G HA2 -0.218 3.742 3.960 0.001 0.000 0.297 198 G HA3 -0.218 3.742 3.960 0.001 0.000 0.297 198 G C 0.542 175.422 174.900 -0.034 0.000 1.273 198 G CA 0.185 45.264 45.100 -0.034 0.000 0.974 198 G HN 1.855 10.145 8.290 0.000 0.000 0.552 199 G N -0.317 108.469 108.800 -0.023 0.000 2.469 199 G HA2 0.454 4.415 3.960 0.001 0.000 0.293 199 G HA3 0.454 4.415 3.960 0.001 0.000 0.293 199 G C 0.092 174.971 174.900 -0.036 0.000 0.982 199 G CA 1.043 46.136 45.100 -0.011 0.000 1.401 199 G HN 0.726 9.016 8.290 0.000 0.000 0.453 200 Q N 2.313 122.096 119.800 -0.028 0.000 2.558 200 Q HA 0.218 4.559 4.340 0.001 0.000 0.252 200 Q C 0.094 176.130 176.000 0.059 0.000 1.015 200 Q CA -0.441 55.328 55.803 -0.057 0.000 0.720 200 Q CB 0.367 28.968 28.738 -0.229 0.000 1.215 200 Q HN 0.524 8.794 8.270 0.000 0.000 0.500 201 R N 2.305 122.840 120.500 0.057 0.000 2.308 201 R HA 0.471 4.812 4.340 0.001 0.000 0.325 201 R C -0.639 175.732 176.300 0.120 0.000 1.161 201 R CA 0.163 56.317 56.100 0.090 0.000 1.022 201 R CB 0.107 30.444 30.300 0.062 0.000 1.091 201 R HN 0.833 9.103 8.270 0.000 0.000 0.497 202 S N 0.247 116.061 115.700 0.189 0.000 2.683 202 S HA 0.119 4.590 4.470 0.001 0.000 0.264 202 S C -1.123 173.638 174.600 0.269 0.000 1.066 202 S CA -1.176 57.156 58.200 0.221 0.000 0.846 202 S CB 1.194 64.552 63.200 0.263 0.000 1.114 202 S HN 0.457 8.767 8.310 0.000 0.000 0.476 203 E N 0.349 120.670 120.200 0.202 0.000 2.194 203 E HA 0.302 4.653 4.350 0.001 0.000 0.284 203 E C 1.095 177.657 176.600 -0.064 0.000 1.035 203 E CA -0.488 55.970 56.400 0.096 0.000 0.836 203 E CB 0.932 30.660 29.700 0.046 0.000 1.070 203 E HN 0.586 8.946 8.360 0.000 0.000 0.401 204 R N 4.148 124.511 120.500 -0.228 0.000 2.103 204 R HA -0.237 4.103 4.340 0.001 0.000 0.242 204 R C 2.008 177.775 176.300 -0.889 0.000 1.142 204 R CA 2.007 57.522 56.100 -0.975 0.000 0.960 204 R CB 0.033 29.984 30.300 -0.581 0.000 0.858 204 R HN 0.410 8.680 8.270 0.000 0.000 0.439 205 K N 0.313 120.496 120.400 -0.362 0.000 2.160 205 K HA -0.178 4.143 4.320 0.001 0.000 0.206 205 K C 1.219 177.757 176.600 -0.102 0.000 1.047 205 K CA 1.646 57.831 56.287 -0.170 0.000 0.930 205 K CB 0.112 32.581 32.500 -0.053 0.000 0.720 205 K HN 0.068 8.318 8.250 0.000 0.000 0.450 206 K N -0.259 120.069 120.400 -0.119 0.000 2.432 206 K HA -0.105 4.215 4.320 0.001 0.000 0.196 206 K C 1.527 178.170 176.600 0.071 0.000 1.038 206 K CA 1.109 57.426 56.287 0.049 0.000 0.986 206 K CB 0.051 32.611 32.500 0.101 0.000 0.782 206 K HN 0.599 8.849 8.250 0.000 0.000 0.485 207 W N -1.594 119.641 121.300 -0.109 0.000 2.413 207 W HA 0.251 4.911 4.660 0.001 0.000 0.288 207 W C 1.006 177.211 176.519 -0.523 0.000 0.958 207 W CA -0.517 56.596 57.345 -0.388 0.000 1.333 207 W CB -0.660 28.692 29.460 -0.180 0.000 1.002 207 W HN -0.211 7.969 8.180 0.000 0.000 0.562 208 I N 3.628 123.919 120.570 -0.464 0.000 2.423 208 I HA -0.284 3.886 4.170 0.001 0.000 0.254 208 I C 2.605 178.535 176.117 -0.313 0.000 1.151 208 I CA 2.298 63.498 61.300 -0.167 0.000 1.421 208 I CB -0.580 37.300 38.000 -0.201 0.000 1.079 208 I HN 0.185 8.395 8.210 0.000 0.000 0.431 209 H N -2.473 116.242 119.070 -0.593 0.000 2.491 209 H HA -0.067 4.490 4.556 0.001 0.000 0.290 209 H C 2.141 177.015 175.328 -0.758 0.000 1.050 209 H CA 1.280 56.591 56.048 -1.229 0.000 1.309 209 H CB -1.613 27.163 29.762 -1.643 0.000 1.392 209 H HN 0.319 8.599 8.280 0.000 0.000 0.554 210 C N 0.300 119.029 119.300 -0.951 0.000 2.419 210 C HA -0.072 4.389 4.460 0.001 0.000 0.283 210 C C 1.208 175.769 174.990 -0.715 0.000 1.373 210 C CA 0.638 59.165 59.018 -0.818 0.000 1.781 210 C CB -1.445 25.678 27.740 -1.028 0.000 1.886 210 C HN 0.557 8.787 8.230 0.000 0.000 0.520 211 F N 0.603 120.558 119.950 0.007 0.000 2.664 211 F HA 0.219 4.746 4.527 0.001 0.000 0.303 211 F C 0.989 176.984 175.800 0.326 0.000 1.092 211 F CA -0.606 57.524 58.000 0.216 0.000 1.305 211 F CB -0.690 38.556 39.000 0.410 0.000 1.054 211 F HN 0.243 8.543 8.300 0.000 0.000 0.565 212 E N 0.667 120.984 120.200 0.196 0.000 2.415 212 E HA 0.290 4.641 4.350 0.001 0.000 0.263 212 E C 1.316 178.063 176.600 0.245 0.000 0.995 212 E CA 0.934 57.471 56.400 0.228 0.000 0.915 212 E CB 0.298 30.048 29.700 0.083 0.000 0.951 212 E HN 0.527 8.887 8.360 0.000 0.000 0.449 213 G N 2.700 111.676 108.800 0.293 0.000 2.175 213 G HA2 -0.295 3.665 3.960 0.001 0.000 0.244 213 G HA3 -0.295 3.665 3.960 0.001 0.000 0.244 213 G C 0.327 175.355 174.900 0.213 0.000 0.982 213 G CA 0.096 45.323 45.100 0.211 0.000 0.641 213 G HN 0.854 9.144 8.290 0.000 0.000 0.527 214 V N -0.885 119.201 119.914 0.288 0.000 2.999 214 V HA 0.534 4.654 4.120 0.001 0.000 0.307 214 V C 1.720 177.905 176.094 0.152 0.000 1.084 214 V CA 1.090 63.540 62.300 0.250 0.000 1.155 214 V CB 0.486 32.492 31.823 0.305 0.000 0.975 214 V HN 0.328 8.518 8.190 0.000 0.000 0.490 215 T N 2.032 116.644 114.554 0.096 0.000 2.720 215 T HA 0.236 4.587 4.350 0.001 0.000 0.268 215 T C 0.696 175.420 174.700 0.040 0.000 1.037 215 T CA 1.869 63.995 62.100 0.044 0.000 1.144 215 T CB -0.202 68.658 68.868 -0.013 0.000 0.864 215 T HN 1.568 9.808 8.240 0.000 0.000 0.444 216 A N -0.362 122.473 122.820 0.025 0.000 2.608 216 A HA 0.689 5.009 4.320 0.001 0.000 0.292 216 A C -1.771 175.786 177.584 -0.045 0.000 1.066 216 A CA -0.855 51.185 52.037 0.005 0.000 0.676 216 A CB 0.981 19.997 19.000 0.026 0.000 1.277 216 A HN 0.255 8.405 8.150 0.000 0.000 0.413 217 I N 1.208 121.734 120.570 -0.073 0.000 2.404 217 I HA 0.430 4.601 4.170 0.001 0.000 0.293 217 I C -0.848 175.227 176.117 -0.070 0.000 0.992 217 I CA -0.439 60.795 61.300 -0.110 0.000 1.149 217 I CB 1.724 39.617 38.000 -0.177 0.000 1.315 217 I HN 0.486 8.696 8.210 0.000 0.000 0.446 218 I N 6.396 126.888 120.570 -0.130 0.000 2.330 218 I HA 0.230 4.401 4.170 0.001 0.000 0.286 218 I C -0.792 175.227 176.117 -0.162 0.000 1.025 218 I CA -0.409 60.731 61.300 -0.268 0.000 1.197 218 I CB 0.955 38.664 38.000 -0.485 0.000 1.358 218 I HN 0.398 8.608 8.210 0.000 0.000 0.467 219 F N 6.952 126.807 119.950 -0.158 0.000 2.371 219 F HA 0.381 4.908 4.527 0.001 0.000 0.363 219 F C 0.175 175.937 175.800 -0.062 0.000 1.122 219 F CA -0.481 57.500 58.000 -0.032 0.000 1.129 219 F CB 0.471 39.567 39.000 0.159 0.000 1.173 219 F HN 0.381 8.681 8.300 0.000 0.000 0.489 220 C N 6.032 125.063 119.300 -0.448 0.000 2.415 220 C HA 0.654 5.114 4.460 0.001 0.000 0.369 220 C C -0.101 174.720 174.990 -0.281 0.000 1.279 220 C CA -0.935 57.950 59.018 -0.222 0.000 1.886 220 C CB 0.005 27.660 27.740 -0.142 0.000 2.468 220 C HN 0.549 8.779 8.230 0.000 0.000 0.553 221 V N 3.171 122.999 119.914 -0.143 0.000 2.531 221 V HA 0.629 4.750 4.120 0.001 0.000 0.301 221 V C 0.281 176.300 176.094 -0.125 0.000 1.034 221 V CA -0.400 61.797 62.300 -0.173 0.000 0.865 221 V CB 1.723 33.268 31.823 -0.463 0.000 0.995 221 V HN 1.001 9.191 8.190 0.000 0.000 0.424 222 A N 4.810 127.590 122.820 -0.067 0.000 2.415 222 A HA 0.535 4.856 4.320 0.001 0.000 0.309 222 A C 1.043 178.608 177.584 -0.032 0.000 1.356 222 A CA -0.288 51.727 52.037 -0.036 0.000 0.998 222 A CB -0.057 18.940 19.000 -0.005 0.000 1.145 222 A HN 0.933 9.083 8.150 0.000 0.000 0.545 223 L N 2.263 123.426 121.223 -0.100 0.000 2.081 223 L HA -0.261 4.080 4.340 0.001 0.000 0.212 223 L C 2.669 179.617 176.870 0.130 0.000 1.080 223 L CA 1.996 56.711 54.840 -0.208 0.000 0.754 223 L CB -0.291 41.412 42.059 -0.595 0.000 0.893 223 L HN 0.839 9.069 8.230 0.000 0.000 0.433 224 S N -2.027 113.802 115.700 0.215 0.000 2.555 224 S HA -0.104 4.367 4.470 0.001 0.000 0.230 224 S C 1.228 175.860 174.600 0.053 0.000 0.978 224 S CA 0.642 58.999 58.200 0.262 0.000 0.934 224 S CB -0.315 62.981 63.200 0.160 0.000 0.766 224 S HN 0.340 8.650 8.310 0.000 0.000 0.533 225 D N 1.643 122.083 120.400 0.066 0.000 2.378 225 D HA -0.011 4.630 4.640 0.001 0.000 0.227 225 D C 1.308 177.608 176.300 -0.000 0.000 1.012 225 D CA 0.374 54.375 54.000 0.001 0.000 0.905 225 D CB -0.545 40.274 40.800 0.033 0.000 0.895 225 D HN 0.816 9.186 8.370 0.000 0.000 0.532 226 Y N 0.676 120.985 120.300 0.016 0.000 2.538 226 Y HA -0.138 4.412 4.550 0.001 0.000 0.287 226 Y C 0.502 176.357 175.900 -0.075 0.000 1.157 226 Y CA 1.151 59.237 58.100 -0.025 0.000 1.338 226 Y CB -0.410 38.090 38.460 0.067 0.000 0.970 226 Y HN -0.076 8.204 8.280 0.000 0.000 0.564 227 D N -0.927 119.298 120.400 -0.293 0.000 2.556 227 D HA 0.178 4.818 4.640 0.001 0.000 0.237 227 D C -0.206 175.978 176.300 -0.192 0.000 1.296 227 D CA -0.160 53.697 54.000 -0.238 0.000 0.807 227 D CB -0.744 39.848 40.800 -0.346 0.000 1.084 227 D HN 0.398 8.768 8.370 0.000 0.000 0.510 228 L N 0.509 121.632 121.223 -0.168 0.000 2.358 228 L HA 0.735 5.075 4.340 0.001 0.000 0.268 228 L C 0.376 177.191 176.870 -0.091 0.000 1.032 228 L CA -1.454 53.309 54.840 -0.129 0.000 0.805 228 L CB 1.911 43.900 42.059 -0.117 0.000 1.253 228 L HN -0.038 8.192 8.230 0.000 0.000 0.452 229 V N -0.991 118.886 119.914 -0.062 0.000 3.126 229 V HA 0.524 4.644 4.120 0.001 0.000 0.314 229 V C -0.558 175.530 176.094 -0.010 0.000 1.138 229 V CA -1.094 61.186 62.300 -0.033 0.000 1.034 229 V CB 1.993 33.804 31.823 -0.019 0.000 1.075 229 V HN 0.422 8.612 8.190 0.000 0.000 0.442 230 L N 2.259 123.488 121.223 0.010 0.000 2.416 230 L HA 0.563 4.903 4.340 0.001 0.000 0.272 230 L C 1.539 178.426 176.870 0.028 0.000 1.161 230 L CA 1.328 56.184 54.840 0.025 0.000 0.845 230 L CB 0.828 42.910 42.059 0.039 0.000 1.119 230 L HN 1.015 9.245 8.230 0.000 0.000 0.464 231 A N 3.775 126.614 122.820 0.033 0.000 1.858 231 A HA -0.128 4.193 4.320 0.001 0.000 0.216 231 A C 1.745 179.353 177.584 0.041 0.000 1.190 231 A CA 1.456 53.516 52.037 0.039 0.000 0.617 231 A CB -0.475 18.550 19.000 0.042 0.000 0.827 231 A HN 0.835 8.985 8.150 0.000 0.000 0.443 232 E N -0.327 119.899 120.200 0.042 0.000 2.274 232 E HA -0.114 4.237 4.350 0.001 0.000 0.194 232 E C -0.442 176.182 176.600 0.041 0.000 0.996 232 E CA 1.067 57.492 56.400 0.042 0.000 0.840 232 E CB -0.190 29.537 29.700 0.046 0.000 0.772 232 E HN 0.442 8.802 8.360 0.000 0.000 0.491 233 D N 0.949 121.373 120.400 0.040 0.000 2.330 233 D HA 0.097 4.737 4.640 0.001 0.000 0.249 233 D C -0.576 175.745 176.300 0.034 0.000 1.306 233 D CA -0.264 53.759 54.000 0.039 0.000 0.956 233 D CB 0.731 41.557 40.800 0.044 0.000 1.261 233 D HN -0.045 8.325 8.370 0.000 0.000 0.544 234 E N 1.563 121.782 120.200 0.031 0.000 2.357 234 E HA 0.007 4.357 4.350 0.001 0.000 0.194 234 E C 0.201 176.815 176.600 0.024 0.000 1.177 234 E CA 0.299 56.714 56.400 0.026 0.000 0.998 234 E CB 0.604 30.322 29.700 0.029 0.000 1.106 234 E HN 0.387 8.747 8.360 0.000 0.000 0.470 241 E N 2.004 122.328 120.200 0.208 0.000 2.077 241 E HA -0.061 4.289 4.350 0.001 0.000 0.193 241 E C 1.254 177.987 176.600 0.221 0.000 0.989 241 E CA 1.141 57.646 56.400 0.174 0.000 0.800 241 E CB 0.073 29.856 29.700 0.139 0.000 0.746 241 E HN 0.169 8.529 8.360 0.000 0.000 0.452 245 L N 1.601 122.960 121.223 0.228 0.000 2.017 245 L HA 0.027 4.367 4.340 0.001 0.000 0.208 245 L C 1.916 178.933 176.870 0.246 0.000 1.073 245 L CA 1.794 56.813 54.840 0.298 0.000 0.745 245 L CB -0.462 41.874 42.059 0.462 0.000 0.894 245 L HN 0.248 8.478 8.230 0.000 0.000 0.432 246 F N 0.611 120.563 119.950 0.004 0.000 2.102 246 F HA -0.227 4.300 4.527 0.001 0.000 0.298 246 F C 2.362 178.043 175.800 -0.199 0.000 1.105 246 F CA 2.017 59.766 58.000 -0.420 0.000 1.239 246 F CB -0.576 38.140 39.000 -0.473 0.000 0.991 246 F HN 0.333 8.633 8.300 0.000 0.000 0.474 247 D N -0.500 119.842 120.400 -0.096 0.000 2.106 247 D HA -0.237 4.404 4.640 0.001 0.000 0.191 247 D C 2.452 178.663 176.300 -0.148 0.000 0.997 247 D CA 1.835 55.752 54.000 -0.138 0.000 0.834 247 D CB -0.640 40.131 40.800 -0.049 0.000 0.956 247 D HN 0.321 8.691 8.370 0.000 0.000 0.448 248 S N -0.917 114.745 115.700 -0.063 0.000 2.370 248 S HA -0.126 4.344 4.470 0.001 0.000 0.226 248 S C 2.113 176.703 174.600 -0.017 0.000 1.033 248 S CA 1.078 59.264 58.200 -0.024 0.000 1.011 248 S CB -0.303 62.916 63.200 0.031 0.000 0.852 248 S HN 0.262 8.572 8.310 0.000 0.000 0.457 249 I N 1.214 121.764 120.570 -0.034 0.000 2.193 249 I HA -0.087 4.083 4.170 0.001 0.000 0.240 249 I C 2.869 178.965 176.117 -0.036 0.000 1.084 249 I CA 0.886 62.219 61.300 0.055 0.000 1.365 249 I CB -1.812 36.228 38.000 0.066 0.000 1.064 249 I HN 0.509 8.719 8.210 0.000 0.000 0.410 250 C N 2.111 121.160 119.300 -0.418 0.000 2.413 250 C HA -0.136 4.324 4.460 0.001 0.000 0.276 250 C C 2.078 176.963 174.990 -0.175 0.000 1.248 250 C CA 1.017 59.763 59.018 -0.454 0.000 1.742 250 C CB -1.211 25.957 27.740 -0.953 0.000 2.017 250 C HN 0.487 8.717 8.230 0.000 0.000 0.481 251 N N 1.367 119.976 118.700 -0.150 0.000 2.276 251 N HA 0.083 4.824 4.740 0.001 0.000 0.212 251 N C -0.353 175.122 175.510 -0.059 0.000 1.127 251 N CA 0.090 53.086 53.050 -0.090 0.000 0.834 251 N CB -0.543 37.883 38.487 -0.101 0.000 1.014 251 N HN 0.658 9.038 8.380 0.000 0.000 0.491 252 N N 1.461 120.158 118.700 -0.005 0.000 2.530 252 N HA -0.013 4.727 4.740 0.001 0.000 0.273 252 N C 1.373 176.804 175.510 -0.133 0.000 1.173 252 N CA -0.222 52.807 53.050 -0.036 0.000 0.967 252 N CB 0.909 39.436 38.487 0.066 0.000 1.109 252 N HN 0.095 8.475 8.380 0.000 0.000 0.453 253 K N 1.373 121.600 120.400 -0.288 0.000 2.280 253 K HA -0.115 4.206 4.320 0.001 0.000 0.202 253 K C 0.618 176.914 176.600 -0.508 0.000 1.047 253 K CA 1.085 57.111 56.287 -0.435 0.000 0.942 253 K CB -0.063 32.068 32.500 -0.615 0.000 0.739 253 K HN 0.630 8.880 8.250 0.000 0.000 0.457 254 W N -0.147 120.950 121.300 -0.338 0.000 3.047 254 W HA 0.180 4.841 4.660 0.001 0.000 0.250 254 W C 0.061 176.295 176.519 -0.474 0.000 1.314 254 W CA -0.648 56.415 57.345 -0.470 0.000 1.540 254 W CB 0.290 29.345 29.460 -0.675 0.000 1.127 254 W HN -0.050 8.130 8.180 0.000 0.000 0.679 255 F N -0.263 119.789 119.950 0.172 0.000 2.810 255 F HA 0.141 4.668 4.527 0.001 0.000 0.353 255 F C 1.846 177.668 175.800 0.036 0.000 1.227 255 F CA -0.772 57.297 58.000 0.115 0.000 1.210 255 F CB -1.098 37.961 39.000 0.098 0.000 1.039 255 F HN -0.209 8.091 8.300 0.000 0.000 0.509 256 T N -2.528 112.104 114.554 0.129 0.000 2.803 256 T HA -0.205 4.145 4.350 0.001 0.000 0.269 256 T C 1.105 175.842 174.700 0.062 0.000 1.052 256 T CA 2.023 64.155 62.100 0.054 0.000 1.136 256 T CB -0.180 68.684 68.868 -0.006 0.000 0.864 256 T HN 0.312 8.552 8.240 0.000 0.000 0.467 257 D N 0.188 120.644 120.400 0.093 0.000 2.535 257 D HA 0.129 4.769 4.640 0.001 0.000 0.229 257 D C -0.327 176.027 176.300 0.090 0.000 1.238 257 D CA -0.399 53.644 54.000 0.071 0.000 0.824 257 D CB -0.502 40.332 40.800 0.057 0.000 1.045 257 D HN 0.211 8.581 8.370 0.000 0.000 0.500 258 T N 0.637 115.269 114.554 0.130 0.000 2.884 258 T HA 0.238 4.589 4.350 0.001 0.000 0.298 258 T C 0.307 175.035 174.700 0.048 0.000 0.998 258 T CA -0.155 62.013 62.100 0.113 0.000 1.124 258 T CB 1.195 70.153 68.868 0.150 0.000 0.931 258 T HN -0.046 8.194 8.240 0.000 0.000 0.531 259 S N 2.879 118.605 115.700 0.043 0.000 2.488 259 S HA 0.300 4.771 4.470 0.001 0.000 0.278 259 S C 0.140 174.753 174.600 0.023 0.000 1.259 259 S CA -0.427 57.796 58.200 0.038 0.000 1.061 259 S CB -0.267 62.973 63.200 0.068 0.000 0.910 259 S HN 0.434 8.744 8.310 0.000 0.000 0.491 260 I N 4.311 124.893 120.570 0.021 0.000 2.433 260 I HA 0.479 4.650 4.170 0.001 0.000 0.292 260 I C -0.804 175.367 176.117 0.090 0.000 1.001 260 I CA -0.706 60.620 61.300 0.043 0.000 1.119 260 I CB 1.610 39.640 38.000 0.049 0.000 1.289 260 I HN 0.419 8.629 8.210 0.000 0.000 0.438 261 I N 6.417 127.047 120.570 0.101 0.000 2.465 261 I HA 0.336 4.506 4.170 0.001 0.000 0.291 261 I C -0.764 175.420 176.117 0.112 0.000 1.014 261 I CA -0.569 60.817 61.300 0.143 0.000 1.093 261 I CB 2.006 40.105 38.000 0.164 0.000 1.267 261 I HN 0.321 8.531 8.210 0.000 0.000 0.431 262 L N 6.446 127.765 121.223 0.161 0.000 2.264 262 L HA 0.512 4.853 4.340 0.001 0.000 0.289 262 L C -1.261 175.814 176.870 0.340 0.000 1.044 262 L CA 0.070 54.991 54.840 0.136 0.000 0.807 262 L CB 0.357 42.394 42.059 -0.036 0.000 1.192 262 L HN 0.257 8.487 8.230 0.000 0.000 0.425 263 F N 6.262 126.241 119.950 0.048 0.000 2.313 263 F HA 0.348 4.875 4.527 0.001 0.000 0.369 263 F C -0.026 175.733 175.800 -0.069 0.000 1.109 263 F CA -1.019 57.001 58.000 0.033 0.000 1.132 263 F CB 0.709 39.726 39.000 0.028 0.000 1.291 263 F HN 0.251 8.551 8.300 0.000 0.000 0.496 264 L N 4.387 125.646 121.223 0.059 0.000 2.356 264 L HA 0.182 4.523 4.340 0.001 0.000 0.282 264 L C 0.504 177.327 176.870 -0.079 0.000 1.132 264 L CA -0.264 54.511 54.840 -0.109 0.000 0.923 264 L CB -0.310 41.642 42.059 -0.179 0.000 1.278 264 L HN 0.445 8.675 8.230 0.000 0.000 0.436 265 N N 2.579 121.247 118.700 -0.054 0.000 2.379 265 N HA 0.168 4.908 4.740 0.001 0.000 0.260 265 N C 0.042 175.540 175.510 -0.021 0.000 1.254 265 N CA -0.254 52.778 53.050 -0.030 0.000 0.958 265 N CB 0.560 39.046 38.487 -0.002 0.000 1.208 265 N HN 0.327 8.707 8.380 0.000 0.000 0.532 266 K N -0.838 119.568 120.400 0.010 0.000 3.117 266 K HA -0.236 4.084 4.320 0.001 0.000 0.269 266 K C 0.475 177.155 176.600 0.134 0.000 1.098 266 K CA 0.907 57.226 56.287 0.053 0.000 0.785 266 K CB -1.177 31.352 32.500 0.048 0.000 1.242 266 K HN 0.714 8.964 8.250 0.000 0.000 0.491 267 K N 0.136 120.622 120.400 0.144 0.000 2.280 267 K HA -0.187 4.134 4.320 0.001 0.000 0.202 267 K C 1.325 178.151 176.600 0.376 0.000 1.047 267 K CA 1.823 58.295 56.287 0.309 0.000 0.942 267 K CB -0.020 32.665 32.500 0.309 0.000 0.739 267 K HN 0.374 8.624 8.250 0.000 0.000 0.457 268 D N 2.201 122.722 120.400 0.203 0.000 2.097 268 D HA -0.189 4.451 4.640 0.001 0.000 0.197 268 D C 2.100 178.488 176.300 0.147 0.000 0.984 268 D CA 1.010 55.093 54.000 0.137 0.000 0.826 268 D CB -0.511 40.330 40.800 0.069 0.000 0.973 268 D HN 0.325 8.695 8.370 0.000 0.000 0.460 269 L N -0.892 120.422 121.223 0.152 0.000 2.109 269 L HA -0.041 4.299 4.340 0.001 0.000 0.207 269 L C 2.635 179.622 176.870 0.196 0.000 1.086 269 L CA 0.720 55.640 54.840 0.133 0.000 0.760 269 L CB -0.555 41.563 42.059 0.099 0.000 0.910 269 L HN -0.082 8.148 8.230 0.000 0.000 0.437 270 F N 1.417 121.446 119.950 0.130 0.000 2.069 270 F HA -0.264 4.264 4.527 0.000 0.000 0.298 270 F C 2.571 178.517 175.800 0.243 0.000 1.113 270 F CA 2.012 60.127 58.000 0.192 0.000 1.214 270 F CB -0.326 38.769 39.000 0.158 0.000 0.978 270 F HN 0.098 8.398 8.300 0.000 0.000 0.474 271 E N -0.274 120.071 120.200 0.241 0.000 2.130 271 E HA -0.249 4.101 4.350 0.001 0.000 0.196 271 E C 1.999 178.594 176.600 -0.009 0.000 0.998 271 E CA 1.662 58.154 56.400 0.154 0.000 0.806 271 E CB -0.057 29.702 29.700 0.098 0.000 0.738 271 E HN 0.456 8.816 8.360 0.000 0.000 0.459 272 E N 0.378 120.587 120.200 0.014 0.000 2.051 272 E HA -0.124 4.227 4.350 0.001 0.000 0.189 272 E C 1.930 178.518 176.600 -0.021 0.000 0.979 272 E CA 0.656 57.057 56.400 0.000 0.000 0.803 272 E CB -0.243 29.473 29.700 0.026 0.000 0.761 272 E HN 0.217 8.577 8.360 0.000 0.000 0.451 273 K N 0.751 121.140 120.400 -0.018 0.000 2.057 273 K HA -0.135 4.186 4.320 0.001 0.000 0.207 273 K C 2.092 178.702 176.600 0.016 0.000 1.049 273 K CA 0.728 57.005 56.287 -0.017 0.000 0.931 273 K CB -0.170 32.320 32.500 -0.017 0.000 0.714 273 K HN -0.037 8.213 8.250 0.000 0.000 0.440 274 I N 1.792 122.301 120.570 -0.101 0.000 2.530 274 I HA -0.235 3.935 4.170 0.001 0.000 0.257 274 I C 1.534 177.626 176.117 -0.041 0.000 1.179 274 I CA 1.448 62.666 61.300 -0.136 0.000 1.440 274 I CB -0.074 37.605 38.000 -0.534 0.000 1.087 274 I HN 0.074 8.284 8.210 0.000 0.000 0.440 275 K N 0.522 120.902 120.400 -0.033 0.000 2.418 275 K HA -0.066 4.255 4.320 0.001 0.000 0.195 275 K C 1.835 178.440 176.600 0.008 0.000 1.035 275 K CA 0.812 57.094 56.287 -0.009 0.000 1.003 275 K CB 0.112 32.605 32.500 -0.012 0.000 0.793 275 K HN 0.581 8.831 8.250 0.000 0.000 0.494 276 K N -1.240 119.169 120.400 0.015 0.000 2.286 276 K HA 0.164 4.485 4.320 0.001 0.000 0.203 276 K C 0.483 177.105 176.600 0.038 0.000 1.078 276 K CA 0.059 56.354 56.287 0.013 0.000 0.957 276 K CB 0.215 32.706 32.500 -0.015 0.000 1.018 276 K HN -0.251 7.999 8.250 0.000 0.000 0.484 277 S N 3.529 119.277 115.700 0.080 0.000 2.462 277 S HA 0.378 4.849 4.470 0.001 0.000 0.294 277 S C -2.638 172.130 174.600 0.280 0.000 1.144 277 S CA -1.415 56.868 58.200 0.140 0.000 1.088 277 S CB 1.612 64.834 63.200 0.037 0.000 1.009 277 S HN 0.210 8.520 8.310 0.000 0.000 0.484 278 P HA 0.134 4.554 4.420 0.000 0.000 0.281 278 P C 0.679 178.124 177.300 0.241 0.000 1.252 278 P CA -0.521 62.691 63.100 0.187 0.000 0.778 278 P CB 0.830 32.610 31.700 0.133 0.000 0.895 279 L N 4.537 125.812 121.223 0.088 0.000 2.187 279 L HA -0.162 4.178 4.340 0.001 0.000 0.213 279 L C 2.033 178.978 176.870 0.124 0.000 1.100 279 L CA 2.356 57.146 54.840 -0.082 0.000 0.765 279 L CB -1.565 40.278 42.059 -0.361 0.000 0.904 279 L HN 0.391 8.621 8.230 0.000 0.000 0.437 280 T N -2.313 112.361 114.554 0.201 0.000 2.946 280 T HA -0.203 4.147 4.350 0.001 0.000 0.271 280 T C 1.945 176.737 174.700 0.153 0.000 1.104 280 T CA 1.536 63.760 62.100 0.207 0.000 1.114 280 T CB -0.695 68.278 68.868 0.176 0.000 0.867 280 T HN 0.408 8.648 8.240 0.000 0.000 0.513 281 I N 0.268 120.928 120.570 0.149 0.000 2.286 281 I HA -0.170 4.001 4.170 0.001 0.000 0.248 281 I C 2.835 178.980 176.117 0.048 0.000 1.115 281 I CA 0.895 62.257 61.300 0.103 0.000 1.392 281 I CB -0.357 37.711 38.000 0.114 0.000 1.065 281 I HN 0.428 8.638 8.210 0.000 0.000 0.418 282 C N -0.248 119.064 119.300 0.020 0.000 2.564 282 C HA -0.017 4.444 4.460 0.001 0.000 0.281 282 C C 0.853 175.723 174.990 -0.200 0.000 1.314 282 C CA -0.033 58.853 59.018 -0.220 0.000 1.706 282 C CB -0.425 27.069 27.740 -0.411 0.000 2.109 282 C HN 0.346 8.576 8.230 0.000 0.000 0.502 283 Y N 1.258 121.688 120.300 0.217 0.000 2.854 283 Y HA 0.354 4.905 4.550 0.001 0.000 0.330 283 Y C -1.701 174.318 175.900 0.199 0.000 1.037 283 Y CA -2.479 55.764 58.100 0.239 0.000 1.263 283 Y CB 0.074 38.729 38.460 0.325 0.000 1.120 283 Y HN 0.240 8.520 8.280 0.000 0.000 0.532 284 P HA -0.251 4.169 4.420 0.000 0.000 0.217 284 P C 1.441 178.845 177.300 0.174 0.000 1.148 284 P CA 1.699 64.907 63.100 0.182 0.000 0.834 284 P CB 0.405 32.187 31.700 0.137 0.000 0.783 285 E N -0.902 119.424 120.200 0.210 0.000 2.482 285 E HA -0.163 4.187 4.350 0.001 0.000 0.196 285 E C 0.285 176.964 176.600 0.132 0.000 1.047 285 E CA 0.018 56.513 56.400 0.159 0.000 0.869 285 E CB -1.085 28.717 29.700 0.170 0.000 0.836 285 E HN 0.259 8.619 8.360 0.000 0.000 0.520 286 Y N 1.683 121.981 120.300 -0.004 0.000 2.721 286 Y HA 0.154 4.705 4.550 0.001 0.000 0.329 286 Y C 0.862 176.654 175.900 -0.180 0.000 1.211 286 Y CA 0.347 58.294 58.100 -0.254 0.000 1.512 286 Y CB 0.719 39.008 38.460 -0.286 0.000 1.249 286 Y HN 0.066 8.346 8.280 0.000 0.000 0.549 287 A N 4.927 127.273 122.820 -0.789 0.000 2.571 287 A HA 0.447 4.767 4.320 0.001 0.000 0.274 287 A C 0.944 178.060 177.584 -0.780 0.000 1.196 287 A CA 0.259 51.940 52.037 -0.593 0.000 0.957 287 A CB -0.572 18.256 19.000 -0.287 0.000 1.150 287 A HN 0.902 9.052 8.150 0.000 0.000 0.539 288 G N 0.288 108.135 108.800 -1.588 0.000 2.563 288 G HA2 0.430 4.391 3.960 0.001 0.000 0.283 288 G HA3 0.430 4.391 3.960 0.001 0.000 0.283 288 G C 0.294 174.875 174.900 -0.532 0.000 1.309 288 G CA 0.371 44.926 45.100 -0.909 0.000 1.022 288 G HN 0.710 9.000 8.290 0.000 0.000 0.501 289 S N -0.795 114.829 115.700 -0.126 0.000 2.537 289 S HA 0.221 4.692 4.470 0.001 0.000 0.275 289 S C 0.231 174.914 174.600 0.139 0.000 1.272 289 S CA -0.840 57.357 58.200 -0.005 0.000 1.050 289 S CB 1.280 64.487 63.200 0.012 0.000 0.961 289 S HN 0.496 8.806 8.310 0.000 0.000 0.496 290 N N 2.520 121.295 118.700 0.125 0.000 3.103 290 N HA 0.039 4.780 4.740 0.001 0.000 0.305 290 N C -0.302 175.240 175.510 0.055 0.000 1.232 290 N CA 0.212 53.336 53.050 0.124 0.000 1.190 290 N CB 0.191 38.733 38.487 0.093 0.000 1.461 290 N HN 0.704 9.084 8.380 0.000 0.000 0.538 291 T N -0.787 113.812 114.554 0.076 0.000 2.912 291 T HA 0.109 4.459 4.350 0.001 0.000 0.288 291 T C 1.125 175.881 174.700 0.093 0.000 1.030 291 T CA -0.595 61.548 62.100 0.072 0.000 1.020 291 T CB 1.167 70.091 68.868 0.092 0.000 1.056 291 T HN 0.326 8.566 8.240 0.000 0.000 0.480 292 Y N 2.288 122.570 120.300 -0.030 0.000 2.193 292 Y HA -0.145 4.405 4.550 0.001 0.000 0.285 292 Y C 2.122 178.136 175.900 0.189 0.000 1.166 292 Y CA 2.620 60.744 58.100 0.041 0.000 1.181 292 Y CB 0.043 38.518 38.460 0.025 0.000 0.976 292 Y HN 0.827 9.107 8.280 0.000 0.000 0.520 293 E N 0.243 120.609 120.200 0.275 0.000 2.008 293 E HA -0.154 4.196 4.350 0.001 0.000 0.191 293 E C 2.237 178.908 176.600 0.118 0.000 0.986 293 E CA 1.672 58.188 56.400 0.193 0.000 0.807 293 E CB -0.361 29.452 29.700 0.188 0.000 0.766 293 E HN 0.587 8.947 8.360 0.000 0.000 0.450 294 E N -0.417 119.865 120.200 0.137 0.000 2.017 294 E HA -0.196 4.154 4.350 0.001 0.000 0.193 294 E C 1.986 178.689 176.600 0.172 0.000 0.997 294 E CA 1.262 57.760 56.400 0.163 0.000 0.804 294 E CB -0.321 29.489 29.700 0.184 0.000 0.757 294 E HN 0.321 8.681 8.360 0.000 0.000 0.448 295 A N 0.475 123.381 122.820 0.143 0.000 1.917 295 A HA -0.167 4.154 4.320 0.001 0.000 0.219 295 A C 2.391 180.014 177.584 0.065 0.000 1.182 295 A CA 1.991 54.038 52.037 0.017 0.000 0.633 295 A CB -1.307 17.700 19.000 0.011 0.000 0.819 295 A HN 0.466 8.616 8.150 0.000 0.000 0.448 296 G N -0.548 108.310 108.800 0.097 0.000 2.422 296 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 296 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 296 G C 1.395 176.216 174.900 -0.131 0.000 1.140 296 G CA 0.990 45.993 45.100 -0.162 0.000 0.775 296 G HN 0.525 8.815 8.290 0.000 0.000 0.545 297 N N -0.482 118.202 118.700 -0.026 0.000 2.216 297 N HA -0.072 4.669 4.740 0.001 0.000 0.183 297 N C 1.719 177.235 175.510 0.010 0.000 1.017 297 N CA 0.559 53.609 53.050 -0.001 0.000 0.861 297 N CB -0.391 38.127 38.487 0.053 0.000 0.986 297 N HN 0.413 8.793 8.380 0.000 0.000 0.428 298 Y N 1.655 121.894 120.300 -0.102 0.000 2.145 298 Y HA -0.026 4.525 4.550 0.001 0.000 0.286 298 Y C 2.150 177.910 175.900 -0.233 0.000 1.145 298 Y CA 1.238 59.239 58.100 -0.165 0.000 1.148 298 Y CB -0.314 37.984 38.460 -0.270 0.000 0.981 298 Y HN -0.030 8.250 8.280 0.000 0.000 0.507 299 I N 0.141 120.644 120.570 -0.111 0.000 2.226 299 I HA -0.344 3.826 4.170 0.001 0.000 0.245 299 I C 2.544 178.659 176.117 -0.003 0.000 1.100 299 I CA 1.801 63.077 61.300 -0.041 0.000 1.374 299 I CB -0.473 37.514 38.000 -0.022 0.000 1.057 299 I HN 0.159 8.369 8.210 0.000 0.000 0.413 300 K N 1.106 121.451 120.400 -0.093 0.000 2.032 300 K HA -0.176 4.145 4.320 0.001 0.000 0.209 300 K C 2.077 178.633 176.600 -0.073 0.000 1.048 300 K CA 1.612 57.845 56.287 -0.089 0.000 0.927 300 K CB -0.013 32.426 32.500 -0.102 0.000 0.712 300 K HN 0.110 8.360 8.250 0.000 0.000 0.441 301 V N 1.598 121.424 119.914 -0.147 0.000 2.358 301 V HA -0.223 3.897 4.120 0.001 0.000 0.246 301 V C 2.438 178.395 176.094 -0.228 0.000 1.047 301 V CA 1.553 63.744 62.300 -0.183 0.000 1.035 301 V CB -0.457 31.227 31.823 -0.232 0.000 0.658 301 V HN 0.407 8.597 8.190 0.000 0.000 0.452 302 Q N -0.720 118.872 119.800 -0.348 0.000 2.135 302 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 302 Q C 2.075 177.932 176.000 -0.238 0.000 0.981 302 Q CA 1.832 57.416 55.803 -0.365 0.000 0.856 302 Q CB -0.573 27.861 28.738 -0.506 0.000 0.902 302 Q HN 0.629 8.899 8.270 0.000 0.000 0.425 303 F N 0.278 120.106 119.950 -0.203 0.000 2.149 303 F HA -0.046 4.482 4.527 0.001 0.000 0.294 303 F C 2.248 177.957 175.800 -0.151 0.000 1.095 303 F CA 0.596 58.448 58.000 -0.247 0.000 1.276 303 F CB -0.416 38.292 39.000 -0.487 0.000 1.023 303 F HN -0.030 8.270 8.300 0.000 0.000 0.480 304 L N -0.280 120.962 121.223 0.032 0.000 2.083 304 L HA -0.212 4.128 4.340 0.001 0.000 0.209 304 L C 2.032 178.932 176.870 0.050 0.000 1.083 304 L CA 1.413 56.283 54.840 0.050 0.000 0.752 304 L CB -0.681 41.373 42.059 -0.008 0.000 0.899 304 L HN 0.187 8.417 8.230 0.000 0.000 0.433 305 E N -0.205 119.987 120.200 -0.014 0.000 2.409 305 E HA -0.164 4.187 4.350 0.001 0.000 0.198 305 E C 1.793 178.384 176.600 -0.015 0.000 1.024 305 E CA 0.324 56.704 56.400 -0.034 0.000 0.861 305 E CB 0.121 29.770 29.700 -0.085 0.000 0.788 305 E HN 0.269 8.629 8.360 0.000 0.000 0.521 306 L N 0.896 122.138 121.223 0.033 0.000 2.478 306 L HA 0.020 4.361 4.340 0.001 0.000 0.223 306 L C 0.996 177.870 176.870 0.007 0.000 1.140 306 L CA 0.705 55.562 54.840 0.030 0.000 0.842 306 L CB -0.873 41.251 42.059 0.107 0.000 0.953 306 L HN 0.062 8.292 8.230 0.000 0.000 0.452 310 R N 0.657 121.137 120.500 -0.033 0.000 2.073 310 R HA -0.087 4.253 4.340 0.001 0.000 0.234 310 R C 0.236 176.523 176.300 -0.023 0.000 1.134 310 R CA 1.502 57.584 56.100 -0.029 0.000 0.952 310 R CB 0.005 30.287 30.300 -0.031 0.000 0.850 310 R HN 0.474 8.744 8.270 0.000 0.000 0.433 311 D N 0.763 121.152 120.400 -0.020 0.000 2.344 311 D HA 0.002 4.643 4.640 0.001 0.000 0.253 311 D C 0.230 176.517 176.300 -0.022 0.000 1.255 311 D CA 0.020 54.011 54.000 -0.015 0.000 0.894 311 D CB 1.436 42.233 40.800 -0.006 0.000 1.067 311 D HN -0.058 8.312 8.370 0.000 0.000 0.492 312 V N 5.312 125.211 119.914 -0.025 0.000 3.544 312 V HA -0.082 4.038 4.120 0.001 0.000 0.304 312 V C 1.247 177.314 176.094 -0.045 0.000 1.256 312 V CA -0.052 62.228 62.300 -0.032 0.000 1.232 312 V CB -1.569 30.238 31.823 -0.027 0.000 1.065 312 V HN 0.509 8.699 8.190 0.000 0.000 0.423 313 K N 1.454 121.827 120.400 -0.046 0.000 2.511 313 K HA -0.000 4.320 4.320 0.001 0.000 0.280 313 K C 0.197 176.717 176.600 -0.134 0.000 1.008 313 K CA -0.096 56.150 56.287 -0.069 0.000 1.050 313 K CB 0.911 33.382 32.500 -0.048 0.000 0.889 313 K HN 0.450 8.700 8.250 0.000 0.000 0.484 314 E N 3.445 123.519 120.200 -0.211 0.000 2.442 314 E HA -0.037 4.313 4.350 0.001 0.000 0.262 314 E C -0.656 175.638 176.600 -0.510 0.000 1.004 314 E CA -0.177 56.015 56.400 -0.346 0.000 0.928 314 E CB 0.491 29.935 29.700 -0.427 0.000 0.937 314 E HN 0.531 8.891 8.360 0.000 0.000 0.446 315 I N 5.833 126.207 120.570 -0.327 0.000 2.307 315 I HA 0.106 4.276 4.170 0.001 0.000 0.287 315 I C -0.679 175.315 176.117 -0.205 0.000 1.054 315 I CA -0.696 60.477 61.300 -0.212 0.000 1.218 315 I CB 0.155 38.153 38.000 -0.003 0.000 1.398 315 I HN 0.501 8.711 8.210 0.000 0.000 0.475 316 Y N 4.110 124.413 120.300 0.005 0.000 2.497 316 Y HA 0.131 4.681 4.550 0.001 0.000 0.334 316 Y C 0.967 176.807 175.900 -0.100 0.000 1.199 316 Y CA 0.239 58.302 58.100 -0.063 0.000 1.425 316 Y CB 0.642 39.074 38.460 -0.047 0.000 1.291 316 Y HN 0.425 8.705 8.280 0.000 0.000 0.562 317 S N 2.753 118.426 115.700 -0.045 0.000 2.532 317 S HA 0.619 5.089 4.470 0.001 0.000 0.301 317 S C -1.090 173.329 174.600 -0.303 0.000 1.083 317 S CA -0.538 57.609 58.200 -0.088 0.000 1.025 317 S CB 0.496 63.658 63.200 -0.063 0.000 1.056 317 S HN 0.680 8.990 8.310 0.000 0.000 0.494 321 C N 2.356 121.618 119.300 -0.063 0.000 2.534 321 C HA 0.832 5.293 4.460 0.001 0.000 0.309 321 C C 1.846 176.794 174.990 -0.070 0.000 1.072 321 C CA 0.274 59.269 59.018 -0.039 0.000 1.441 321 C CB -0.750 26.980 27.740 -0.018 0.000 1.906 321 C HN 1.277 9.507 8.230 0.000 0.000 0.429 322 A N 3.393 126.172 122.820 -0.068 0.000 2.019 322 A HA -0.090 4.231 4.320 0.001 0.000 0.219 322 A C 2.051 179.582 177.584 -0.089 0.000 1.164 322 A CA 2.390 54.383 52.037 -0.073 0.000 0.644 322 A CB -0.556 18.418 19.000 -0.043 0.000 0.805 322 A HN 1.150 9.300 8.150 0.000 0.000 0.449 323 T N -2.662 111.835 114.554 -0.096 0.000 3.113 323 T HA 0.042 4.392 4.350 0.001 0.000 0.256 323 T C 0.430 175.061 174.700 -0.114 0.000 1.131 323 T CA 0.551 62.575 62.100 -0.127 0.000 1.074 323 T CB -0.141 68.629 68.868 -0.164 0.000 0.944 323 T HN 0.318 8.558 8.240 0.000 0.000 0.516 324 D N 1.633 121.980 120.400 -0.090 0.000 2.428 324 D HA 0.236 4.877 4.640 0.001 0.000 0.221 324 D C 0.962 177.213 176.300 -0.083 0.000 1.123 324 D CA -0.198 53.756 54.000 -0.077 0.000 0.869 324 D CB 1.322 42.087 40.800 -0.058 0.000 1.032 324 D HN 0.017 8.387 8.370 0.000 0.000 0.506 325 T N 2.885 117.384 114.554 -0.091 0.000 2.699 325 T HA -0.188 4.163 4.350 0.001 0.000 0.268 325 T C 1.645 176.294 174.700 -0.085 0.000 1.036 325 T CA 1.135 63.173 62.100 -0.103 0.000 1.147 325 T CB 0.108 68.910 68.868 -0.109 0.000 0.862 325 T HN 0.419 8.659 8.240 0.000 0.000 0.446 326 Q N 0.854 120.615 119.800 -0.065 0.000 2.119 326 Q HA -0.023 4.318 4.340 0.001 0.000 0.201 326 Q C 2.317 178.316 176.000 -0.003 0.000 0.972 326 Q CA 0.898 56.676 55.803 -0.041 0.000 0.847 326 Q CB -0.681 28.025 28.738 -0.053 0.000 0.903 326 Q HN 0.635 8.905 8.270 0.000 0.000 0.433 327 N N 0.286 118.973 118.700 -0.021 0.000 2.058 327 N HA -0.142 4.598 4.740 0.001 0.000 0.191 327 N C 1.820 177.350 175.510 0.033 0.000 1.037 327 N CA 1.663 54.720 53.050 0.013 0.000 0.848 327 N CB 0.206 38.676 38.487 -0.029 0.000 1.021 327 N HN 0.022 8.402 8.380 0.000 0.000 0.422 328 V N 1.821 121.709 119.914 -0.043 0.000 2.332 328 V HA -0.221 3.900 4.120 0.001 0.000 0.248 328 V C 2.582 178.673 176.094 -0.005 0.000 1.055 328 V CA 1.757 64.014 62.300 -0.071 0.000 1.038 328 V CB -0.664 31.094 31.823 -0.108 0.000 0.651 328 V HN 0.406 8.596 8.190 0.000 0.000 0.450 329 K N -0.643 119.748 120.400 -0.015 0.000 2.103 329 K HA -0.238 4.082 4.320 0.001 0.000 0.207 329 K C 2.131 178.803 176.600 0.121 0.000 1.048 329 K CA 1.972 58.261 56.287 0.003 0.000 0.930 329 K CB -0.260 32.209 32.500 -0.052 0.000 0.716 329 K HN 0.420 8.670 8.250 0.000 0.000 0.444 330 F N 0.942 120.877 119.950 -0.024 0.000 2.098 330 F HA -0.143 4.384 4.527 0.001 0.000 0.294 330 F C 1.818 177.597 175.800 -0.036 0.000 1.107 330 F CA 1.117 59.106 58.000 -0.018 0.000 1.234 330 F CB -0.423 38.552 39.000 -0.041 0.000 1.002 330 F HN -0.218 8.082 8.300 0.000 0.000 0.472 331 V N 0.063 119.879 119.914 -0.163 0.000 2.295 331 V HA -0.295 3.826 4.120 0.001 0.000 0.246 331 V C 2.268 178.228 176.094 -0.223 0.000 1.049 331 V CA 2.073 64.133 62.300 -0.400 0.000 1.024 331 V CB -1.038 30.514 31.823 -0.451 0.000 0.648 331 V HN 0.423 8.613 8.190 0.000 0.000 0.447 332 F N 1.430 121.295 119.950 -0.142 0.000 2.216 332 F HA -0.189 4.339 4.527 0.001 0.000 0.300 332 F C 2.059 177.891 175.800 0.054 0.000 1.085 332 F CA 1.993 59.999 58.000 0.011 0.000 1.326 332 F CB -0.312 38.706 39.000 0.032 0.000 1.027 332 F HN 0.268 8.568 8.300 0.000 0.000 0.497 333 D N -0.220 120.192 120.400 0.020 0.000 2.117 333 D HA -0.118 4.523 4.640 0.001 0.000 0.198 333 D C 2.276 178.478 176.300 -0.162 0.000 0.982 333 D CA 1.324 55.336 54.000 0.020 0.000 0.828 333 D CB -0.235 40.603 40.800 0.062 0.000 0.967 333 D HN 0.259 8.629 8.370 0.000 0.000 0.464 334 A N -0.101 122.537 122.820 -0.303 0.000 1.858 334 A HA -0.115 4.205 4.320 0.001 0.000 0.216 334 A C 2.515 179.982 177.584 -0.195 0.000 1.190 334 A CA 1.586 53.449 52.037 -0.291 0.000 0.617 334 A CB -0.991 17.770 19.000 -0.398 0.000 0.827 334 A HN 0.185 8.335 8.150 0.000 0.000 0.443 335 V N -0.155 119.650 119.914 -0.182 0.000 2.252 335 V HA -0.293 3.828 4.120 0.001 0.000 0.249 335 V C 2.774 178.789 176.094 -0.132 0.000 1.056 335 V CA 2.670 64.921 62.300 -0.081 0.000 1.022 335 V CB -1.289 30.545 31.823 0.019 0.000 0.641 335 V HN 0.624 8.814 8.190 0.000 0.000 0.445 336 T N -0.813 113.587 114.554 -0.258 0.000 2.833 336 T HA -0.194 4.156 4.350 0.001 0.000 0.269 336 T C 1.636 176.272 174.700 -0.107 0.000 1.054 336 T CA 1.562 63.554 62.100 -0.180 0.000 1.135 336 T CB -0.379 68.336 68.868 -0.254 0.000 0.869 336 T HN 0.487 8.727 8.240 0.000 0.000 0.466 337 D N 0.933 121.257 120.400 -0.127 0.000 2.084 337 D HA -0.011 4.629 4.640 0.001 0.000 0.194 337 D C 2.105 178.355 176.300 -0.083 0.000 0.990 337 D CA 0.855 54.791 54.000 -0.106 0.000 0.826 337 D CB -0.354 40.380 40.800 -0.110 0.000 0.971 337 D HN 0.344 8.714 8.370 0.000 0.000 0.453 338 I N 0.810 121.321 120.570 -0.098 0.000 2.163 338 I HA -0.248 3.922 4.170 0.001 0.000 0.243 338 I C 2.470 178.578 176.117 -0.015 0.000 1.085 338 I CA 0.708 61.960 61.300 -0.080 0.000 1.347 338 I CB -0.129 37.762 38.000 -0.181 0.000 1.044 338 I HN -0.010 8.200 8.210 0.000 0.000 0.408 339 I N 0.667 121.231 120.570 -0.009 0.000 2.127 339 I HA -0.335 3.835 4.170 0.001 0.000 0.241 339 I C 2.480 178.588 176.117 -0.015 0.000 1.075 339 I CA 1.819 63.123 61.300 0.008 0.000 1.334 339 I CB -0.308 37.696 38.000 0.006 0.000 1.040 339 I HN 0.164 8.374 8.210 0.000 0.000 0.405 340 I N 0.335 120.884 120.570 -0.034 0.000 2.286 340 I HA -0.270 3.901 4.170 0.001 0.000 0.248 340 I C 2.011 178.108 176.117 -0.032 0.000 1.115 340 I CA 1.267 62.540 61.300 -0.045 0.000 1.392 340 I CB -0.312 37.654 38.000 -0.056 0.000 1.065 340 I HN 0.149 8.359 8.210 0.000 0.000 0.418 341 K N 1.377 121.761 120.400 -0.027 0.000 3.041 341 K HA 0.092 4.412 4.320 0.001 0.000 0.243 341 K C 0.221 176.824 176.600 0.004 0.000 1.167 341 K CA 0.385 56.662 56.287 -0.016 0.000 1.235 341 K CB 0.128 32.614 32.500 -0.023 0.000 1.205 341 K HN 0.365 8.615 8.250 0.000 0.000 0.448 342 E N -1.977 118.230 120.200 0.011 0.000 2.209 342 E HA 0.003 4.354 4.350 0.001 0.000 0.192 342 E C -0.177 176.437 176.600 0.024 0.000 0.979 342 E CA 0.101 56.520 56.400 0.031 0.000 1.419 342 E CB 0.399 30.138 29.700 0.065 0.000 3.128 342 E HN 0.402 8.762 8.360 0.000 0.000 0.975 343 N N 0.000 118.705 118.700 0.009 0.000 1.763 343 N HA 0.000 4.740 4.740 0.001 0.000 0.220 343 N CA 0.000 53.051 53.050 0.002 0.000 0.885 343 N CB 0.000 38.488 38.487 0.001 0.000 1.341 343 N HN 0.000 8.380 8.380 0.000 0.000 0.667