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 3ioh_1_A DATA FIRST_RESID 63 DATA SEQUENCE MVSLPRMVYP QPKVLTPCRK DVLVVTPWLA PIVWEGTFNI DILNEQFRLQ DATA SEQUENCE NTTIGLTVFA IKKYVAFLKL FLETAEKHFM VGHRVHYYVF TDQPAAVPRV DATA SEQUENCE TLGTGRQLSV LEVRAYKRWQ DVSMRRMEMI SDFCERRFLS EVDYLVCVDV DATA SEQUENCE DMEFRDHVGV EILTPLFGTL HPGFYGSSRE AFTYERRPQS QAYIPKDEGD DATA SEQUENCE FYYGGAFFGG SVQEVQRLTR ACHQAMMVDQ ANGIEAVWHD ESHLNKYLLR DATA SEQUENCE HKPTKVLSPE YLWDQQLLGW PAVLRKLRFT AVP 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 63 M HA 0.000 4.466 4.480 -0.023 0.000 0.227 63 M C 0.000 176.290 176.300 -0.017 0.000 1.140 63 M CA 0.000 55.282 55.300 -0.029 0.000 0.988 63 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 64 V N 2.135 122.041 119.914 -0.013 0.000 3.139 64 V HA -0.024 4.095 4.120 -0.002 0.000 0.307 64 V C -0.186 175.906 176.094 -0.003 0.000 1.095 64 V CA -0.155 62.142 62.300 -0.005 0.000 1.160 64 V CB 0.961 32.783 31.823 -0.000 0.000 1.003 64 V HN 0.129 8.311 8.190 -0.015 0.000 0.489 65 S N 3.704 119.407 115.700 0.003 0.000 2.549 65 S HA 0.017 4.491 4.470 0.007 0.000 0.283 65 S C -0.102 174.506 174.600 0.013 0.000 1.320 65 S CA -0.262 57.943 58.200 0.008 0.000 1.058 65 S CB 0.510 63.716 63.200 0.011 0.000 0.882 65 S HN -0.177 8.136 8.310 0.005 0.000 0.498 66 L N 5.984 127.218 121.223 0.019 0.000 2.439 66 L HA 0.095 4.451 4.340 0.027 0.000 0.269 66 L C -1.243 175.648 176.870 0.035 0.000 1.179 66 L CA -1.725 53.133 54.840 0.030 0.000 0.828 66 L CB -0.526 41.560 42.059 0.045 0.000 1.106 66 L HN 0.151 8.392 8.230 0.019 0.000 0.467 67 P HA 0.123 4.559 4.420 0.027 0.000 0.274 67 P C -0.922 176.406 177.300 0.046 0.000 1.256 67 P CA -0.908 62.213 63.100 0.035 0.000 0.795 67 P CB 0.743 32.463 31.700 0.032 0.000 1.038 68 R N -0.073 120.446 120.500 0.032 0.000 2.537 68 R HA -0.185 4.171 4.340 0.027 0.000 0.281 68 R C -1.459 174.868 176.300 0.044 0.000 0.988 68 R CA 1.147 57.263 56.100 0.027 0.000 1.077 68 R CB 0.089 30.393 30.300 0.006 0.000 0.932 68 R HN 0.192 8.477 8.270 0.024 0.000 0.409 69 M N 5.682 125.315 119.600 0.054 0.000 2.484 69 M HA 0.175 4.705 4.480 0.083 0.000 0.289 69 M C -2.334 173.936 176.300 -0.051 0.000 1.206 69 M CA -1.008 54.345 55.300 0.089 0.000 0.892 69 M CB 2.836 35.586 32.600 0.250 0.000 1.712 69 M HN 0.075 8.387 8.290 0.036 0.000 0.462 70 V N 5.730 125.624 119.914 -0.033 0.000 2.347 70 V HA 0.258 4.206 4.120 -0.287 0.000 0.280 70 V C -1.554 174.511 176.094 -0.048 0.000 1.021 70 V CA -0.204 62.011 62.300 -0.143 0.000 0.847 70 V CB 0.346 32.131 31.823 -0.063 0.000 0.990 70 V HN 0.222 8.434 8.190 0.036 0.000 0.444 71 Y N 3.933 124.237 120.300 0.005 0.000 2.689 71 Y HA 0.286 4.837 4.550 0.001 0.000 0.333 71 Y C -2.982 172.919 175.900 0.001 0.000 1.208 71 Y CA -3.359 54.743 58.100 0.004 0.000 1.055 71 Y CB -0.781 37.684 38.460 0.009 0.000 1.304 71 Y HN -0.098 7.780 8.280 -0.670 0.000 0.455 72 P HA 0.050 4.504 4.420 0.058 0.000 0.271 72 P C -1.582 175.829 177.300 0.184 0.000 1.216 72 P CA -0.255 62.923 63.100 0.131 0.000 0.776 72 P CB 0.715 32.472 31.700 0.097 0.000 0.881 73 Q N 3.294 123.142 119.800 0.080 0.000 2.330 73 Q HA -0.013 4.395 4.340 0.113 0.000 0.279 73 Q C -1.696 174.361 176.000 0.095 0.000 1.024 73 Q CA -1.069 54.784 55.803 0.084 0.000 0.900 73 Q CB 0.309 29.064 28.738 0.028 0.000 1.221 73 Q HN 0.157 8.449 8.270 0.037 0.000 0.396 74 P HA -0.044 4.412 4.420 0.060 0.000 0.268 74 P C -1.804 175.523 177.300 0.044 0.000 1.205 74 P CA -0.089 63.052 63.100 0.069 0.000 0.771 74 P CB 0.500 32.242 31.700 0.070 0.000 0.858 75 K N 2.621 123.039 120.400 0.029 0.000 2.347 75 K HA 0.215 4.546 4.320 0.020 0.000 0.262 75 K C 1.014 177.624 176.600 0.016 0.000 1.052 75 K CA -0.719 55.580 56.287 0.019 0.000 0.946 75 K CB -0.070 32.437 32.500 0.011 0.000 1.220 75 K HN 0.242 8.508 8.250 0.026 0.000 0.450 76 V N 4.873 124.798 119.914 0.017 0.000 2.392 76 V HA -0.380 3.751 4.120 0.018 0.000 0.249 76 V C 0.288 176.388 176.094 0.011 0.000 1.059 76 V CA 2.213 64.523 62.300 0.016 0.000 1.051 76 V CB 0.335 32.168 31.823 0.017 0.000 0.658 76 V HN 0.664 8.866 8.190 0.018 0.000 0.455 77 L N -1.150 120.077 121.223 0.008 0.000 2.791 77 L HA 0.175 4.518 4.340 0.005 0.000 0.239 77 L C -0.237 176.634 176.870 0.000 0.000 1.203 77 L CA -0.349 54.494 54.840 0.004 0.000 1.002 77 L CB -0.427 41.635 42.059 0.004 0.000 1.295 77 L HN -0.501 7.715 8.230 0.008 0.019 0.504 78 T N 2.181 116.735 114.554 -0.000 0.000 2.890 78 T HA 0.288 4.633 4.350 -0.008 0.000 0.295 78 T C -2.343 172.352 174.700 -0.008 0.000 0.993 78 T CA -2.628 59.468 62.100 -0.006 0.000 0.979 78 T CB 1.467 70.331 68.868 -0.007 0.000 0.967 78 T HN -0.612 7.563 8.240 0.003 0.066 0.441 79 P HA 0.199 4.612 4.420 -0.011 0.000 0.268 79 P C -0.276 177.009 177.300 -0.026 0.000 1.205 79 P CA -0.498 62.592 63.100 -0.018 0.000 0.771 79 P CB 0.736 32.421 31.700 -0.025 0.000 0.858 80 C N -1.497 117.789 119.300 -0.023 0.000 2.446 80 C HA -0.143 4.298 4.460 -0.032 0.000 0.279 80 C C -0.575 174.380 174.990 -0.058 0.000 1.366 80 C CA -0.010 58.989 59.018 -0.032 0.000 1.763 80 C CB 0.615 28.346 27.740 -0.014 0.000 1.929 80 C HN 0.036 8.258 8.230 -0.014 0.000 0.509 81 R N -1.307 119.147 120.500 -0.076 0.000 2.673 81 R HA 0.147 4.414 4.340 -0.123 0.000 0.281 81 R C -1.510 174.724 176.300 -0.111 0.000 0.991 81 R CA -0.514 55.510 56.100 -0.127 0.000 0.896 81 R CB 2.773 32.938 30.300 -0.225 0.000 1.201 81 R HN -0.450 7.783 8.270 -0.063 0.000 0.457 82 K N 0.013 120.347 120.400 -0.110 0.000 2.358 82 K HA 0.149 4.427 4.320 -0.070 0.000 0.200 82 K C -0.731 175.811 176.600 -0.097 0.000 1.030 82 K CA 0.090 56.327 56.287 -0.084 0.000 1.097 82 K CB 0.642 33.105 32.500 -0.061 0.000 0.862 82 K HN 0.323 8.503 8.250 -0.116 0.000 0.534 83 D N -1.009 119.301 120.400 -0.150 0.000 2.441 83 D HA -0.001 4.578 4.640 -0.102 0.000 0.210 83 D C -0.255 175.920 176.300 -0.209 0.000 1.102 83 D CA -0.018 53.890 54.000 -0.153 0.000 0.840 83 D CB 0.509 41.215 40.800 -0.157 0.000 0.990 83 D HN -0.130 8.127 8.370 -0.189 0.000 0.505 84 V N -5.606 114.129 119.914 -0.299 0.000 3.147 84 V HA 0.221 4.216 4.120 -0.207 0.000 0.306 84 V C -2.273 173.707 176.094 -0.189 0.000 1.209 84 V CA -1.713 60.367 62.300 -0.367 0.000 1.023 84 V CB 2.956 34.117 31.823 -1.103 0.000 1.059 84 V HN -0.651 7.366 8.190 -0.288 0.000 0.435 85 L N 2.472 123.700 121.223 0.008 0.000 2.360 85 L HA 0.230 4.609 4.340 0.065 0.000 0.276 85 L C -0.651 176.344 176.870 0.209 0.000 1.121 85 L CA 0.124 55.034 54.840 0.118 0.000 0.845 85 L CB 0.887 43.069 42.059 0.204 0.000 1.143 85 L HN 0.164 8.442 8.230 0.081 0.000 0.452 86 V N 2.106 122.103 119.914 0.138 0.000 3.528 86 V HA 0.281 4.621 4.120 0.367 0.000 0.294 86 V C -0.974 175.196 176.094 0.127 0.000 1.404 86 V CA -0.455 61.966 62.300 0.201 0.000 1.065 86 V CB 0.696 32.602 31.823 0.138 0.000 0.904 86 V HN 0.275 8.515 8.190 0.083 0.000 0.435 87 V N 0.458 120.413 119.914 0.069 0.000 2.777 87 V HA 0.391 4.669 4.120 -0.021 -0.170 0.306 87 V C -0.645 175.408 176.094 -0.069 0.000 1.112 87 V CA -2.330 59.965 62.300 -0.008 0.000 0.917 87 V CB 2.904 34.724 31.823 -0.006 0.000 1.018 87 V HN -0.670 7.565 8.190 0.074 0.000 0.426 88 T N 4.429 118.841 114.554 -0.238 0.000 2.766 88 T HA 0.399 4.612 4.350 -0.228 0.000 0.295 88 T C 0.054 174.517 174.700 -0.395 0.000 1.024 88 T CA -2.066 59.755 62.100 -0.465 0.000 1.018 88 T CB -0.010 68.089 68.868 -1.282 0.000 1.002 88 T HN 0.606 8.678 8.240 -0.280 0.000 0.532 89 P HA 0.023 4.437 4.420 -0.011 0.000 0.234 89 P C -0.912 176.457 177.300 0.115 0.000 1.167 89 P CA 1.255 64.343 63.100 -0.020 0.000 0.763 89 P CB -0.297 31.465 31.700 0.102 0.000 0.835 90 W N -4.302 117.061 121.300 0.105 0.000 3.194 90 W HA 0.261 4.963 4.660 0.069 0.000 0.408 90 W C -0.794 175.780 176.519 0.092 0.000 1.072 90 W CA -1.483 55.914 57.345 0.087 0.000 1.953 90 W CB -0.490 29.020 29.460 0.083 0.000 1.091 90 W HN -0.842 7.026 8.180 -0.456 0.038 0.699 91 L N -3.172 118.007 121.223 -0.074 0.000 3.865 91 L HA -0.395 3.913 4.340 -0.053 0.000 0.408 91 L C -0.354 176.502 176.870 -0.023 0.000 1.209 91 L CA 0.554 55.379 54.840 -0.026 0.000 0.940 91 L CB -2.748 39.347 42.059 0.059 0.000 1.971 91 L HN -0.418 7.555 8.230 -0.152 0.165 0.899 92 A N -1.460 121.257 122.820 -0.172 0.000 2.274 92 A HA 0.499 4.851 4.320 0.055 0.000 0.309 92 A C -2.310 175.233 177.584 -0.068 0.000 1.226 92 A CA -2.656 49.354 52.037 -0.045 0.000 0.853 92 A CB 1.252 20.282 19.000 0.051 0.000 1.146 92 A HN -0.434 7.419 8.150 -0.446 0.029 0.518 93 P HA -0.059 4.502 4.420 0.012 -0.133 0.266 93 P C -1.303 175.981 177.300 -0.027 0.000 1.195 93 P CA 0.328 63.428 63.100 -0.000 0.000 0.768 93 P CB 0.245 31.953 31.700 0.014 0.000 0.838 94 I N 2.093 122.667 120.570 0.007 0.000 2.312 94 I HA 0.451 4.779 4.170 -0.138 -0.241 0.290 94 I C 0.097 176.205 176.117 -0.014 0.000 1.008 94 I CA -1.128 60.145 61.300 -0.045 0.000 1.226 94 I CB 1.105 39.124 38.000 0.032 0.000 1.371 94 I HN -0.131 7.993 8.210 0.059 0.121 0.468 95 V N 7.233 127.027 119.914 -0.200 0.000 2.368 95 V HA -0.024 4.161 4.120 0.108 0.000 0.266 95 V C -1.074 175.002 176.094 -0.031 0.000 1.045 95 V CA -0.151 62.109 62.300 -0.067 0.000 0.899 95 V CB 0.115 31.783 31.823 -0.258 0.000 1.006 95 V HN 0.312 8.315 8.190 -0.312 0.000 0.470 96 W N 6.547 127.968 121.300 0.201 0.000 2.882 96 W HA 0.224 5.221 4.660 0.171 -0.234 0.345 96 W C -1.583 175.022 176.519 0.144 0.000 1.125 96 W CA -1.805 55.634 57.345 0.157 0.000 1.167 96 W CB 3.240 32.728 29.460 0.047 0.000 1.431 96 W HN -0.084 8.393 8.180 0.496 0.000 0.543 97 E N 1.085 121.472 120.200 0.312 0.000 2.465 97 E HA -0.246 3.993 4.350 -0.186 0.000 0.260 97 E C 0.800 177.361 176.600 -0.064 0.000 0.980 97 E CA 1.671 58.072 56.400 0.003 0.000 0.927 97 E CB 0.328 30.028 29.700 0.000 0.000 0.934 97 E HN 0.281 9.326 8.360 0.329 -0.488 0.459 98 G N 4.652 113.296 108.800 -0.260 0.000 2.213 98 G HA2 -0.306 3.532 3.960 -0.204 0.000 0.226 98 G HA3 -0.306 3.587 3.960 -0.112 0.000 0.226 98 G C 0.204 175.026 174.900 -0.130 0.000 0.992 98 G CA 0.758 45.751 45.100 -0.178 0.000 0.632 98 G HN 0.836 8.838 8.290 -0.480 0.000 0.511 99 T N -1.368 113.145 114.554 -0.069 0.000 3.057 99 T HA -0.067 4.312 4.350 0.049 0.000 0.254 99 T C 0.142 174.910 174.700 0.114 0.000 1.094 99 T CA 0.888 63.035 62.100 0.078 0.000 1.088 99 T CB 1.015 70.025 68.868 0.236 0.000 0.934 99 T HN -0.393 7.752 8.240 -0.065 0.056 0.497 100 F N -0.808 119.150 119.950 0.014 0.000 2.576 100 F HA 0.222 4.737 4.527 -0.020 0.000 0.313 100 F C -1.660 174.115 175.800 -0.042 0.000 1.078 100 F CA -2.087 55.904 58.000 -0.015 0.000 0.921 100 F CB 1.855 40.850 39.000 -0.008 0.000 1.232 100 F HN -0.849 7.138 8.300 -0.522 0.000 0.459 101 N N 2.712 121.474 118.700 0.104 0.000 2.462 101 N HA 0.139 4.849 4.740 -0.051 0.000 0.242 101 N C -0.377 175.211 175.510 0.128 0.000 1.010 101 N CA -0.978 52.075 53.050 0.005 0.000 0.939 101 N CB 0.819 39.219 38.487 -0.145 0.000 1.127 101 N HN 0.278 8.727 8.380 0.114 0.000 0.509 102 I N 5.510 126.192 120.570 0.186 0.000 2.614 102 I HA -0.276 4.042 4.170 0.246 0.000 0.258 102 I C 0.227 176.399 176.117 0.092 0.000 1.189 102 I CA 0.614 62.030 61.300 0.194 0.000 1.462 102 I CB 0.472 38.552 38.000 0.133 0.000 1.092 102 I HN 0.717 8.997 8.210 0.117 0.000 0.442 103 D N 0.474 120.898 120.400 0.039 0.000 2.117 103 D HA -0.255 4.418 4.640 0.055 0.000 0.198 103 D C 2.750 179.065 176.300 0.026 0.000 0.982 103 D CA 3.824 57.845 54.000 0.035 0.000 0.828 103 D CB -0.530 40.285 40.800 0.026 0.000 0.967 103 D HN -0.197 8.351 8.370 0.017 -0.168 0.464 104 I N 0.044 120.591 120.570 -0.038 0.000 2.179 104 I HA -0.433 3.718 4.170 -0.032 0.000 0.242 104 I C 2.006 178.145 176.117 0.037 0.000 1.088 104 I CA 3.603 64.875 61.300 -0.047 0.000 1.357 104 I CB 0.082 37.985 38.000 -0.163 0.000 1.051 104 I HN -0.825 7.542 8.210 -0.082 -0.207 0.409 105 L N -0.698 120.571 121.223 0.077 0.000 2.046 105 L HA -0.359 4.239 4.340 0.175 -0.153 0.208 105 L C 2.519 179.541 176.870 0.254 0.000 1.077 105 L CA 2.994 57.934 54.840 0.166 0.000 0.747 105 L CB -0.584 41.546 42.059 0.119 0.000 0.896 105 L HN -0.606 7.665 8.230 0.068 0.000 0.432 106 N N -1.202 117.616 118.700 0.198 0.000 2.104 106 N HA -0.332 4.636 4.740 0.381 0.000 0.190 106 N C 2.455 178.106 175.510 0.234 0.000 1.024 106 N CA 3.215 56.428 53.050 0.273 0.000 0.853 106 N CB -0.672 37.940 38.487 0.208 0.000 1.008 106 N HN -0.004 8.467 8.380 0.152 0.000 0.424 107 E N 0.108 120.389 120.200 0.136 0.000 2.058 107 E HA -0.373 4.026 4.350 0.082 0.000 0.194 107 E C 2.416 179.063 176.600 0.078 0.000 0.997 107 E CA 3.510 59.964 56.400 0.090 0.000 0.801 107 E CB -0.382 29.354 29.700 0.060 0.000 0.746 107 E HN -0.563 7.865 8.360 0.113 0.000 0.450 108 Q N -1.016 118.814 119.800 0.050 0.000 2.061 108 Q HA -0.263 4.028 4.340 -0.082 0.000 0.204 108 Q C 2.987 178.909 176.000 -0.130 0.000 0.984 108 Q CA 2.975 58.725 55.803 -0.088 0.000 0.846 108 Q CB 0.224 28.842 28.738 -0.200 0.000 0.902 108 Q HN -0.524 7.787 8.270 0.068 0.000 0.421 109 F N -2.244 117.739 119.950 0.054 0.000 2.293 109 F HA -0.158 4.401 4.527 0.053 0.000 0.297 109 F C 2.610 178.501 175.800 0.150 0.000 1.089 109 F CA 3.516 61.556 58.000 0.067 0.000 1.377 109 F CB 0.048 39.008 39.000 -0.066 0.000 1.051 109 F HN -0.291 8.207 8.300 0.330 0.000 0.511 110 R N -0.617 120.089 120.500 0.343 0.000 2.092 110 R HA -0.237 4.232 4.340 0.215 0.000 0.231 110 R C 2.800 179.163 176.300 0.105 0.000 1.119 110 R CA 1.634 57.847 56.100 0.188 0.000 0.970 110 R CB -0.872 29.467 30.300 0.066 0.000 0.864 110 R HN 0.057 8.543 8.270 0.359 0.000 0.440 111 L N -2.377 118.889 121.223 0.072 0.000 2.362 111 L HA -0.248 4.112 4.340 0.034 0.000 0.219 111 L C 0.830 177.720 176.870 0.033 0.000 1.134 111 L CA 2.373 57.234 54.840 0.036 0.000 0.807 111 L CB -0.358 41.710 42.059 0.014 0.000 0.927 111 L HN -0.381 7.893 8.230 0.073 0.000 0.447 112 Q N -5.710 114.118 119.800 0.046 0.000 2.360 112 Q HA -0.031 4.328 4.340 0.032 0.000 0.202 112 Q C -0.551 175.505 176.000 0.094 0.000 0.915 112 Q CA 0.042 55.876 55.803 0.052 0.000 0.943 112 Q CB 0.365 29.123 28.738 0.032 0.000 1.064 112 Q HN -0.189 7.981 8.270 0.058 0.134 0.511 113 N N -3.671 115.095 118.700 0.109 0.000 2.776 113 N HA -0.377 4.432 4.740 0.115 0.000 0.249 113 N C -0.982 174.614 175.510 0.144 0.000 1.111 113 N CA 1.251 54.364 53.050 0.106 0.000 0.711 113 N CB -1.794 36.735 38.487 0.070 0.000 1.065 113 N HN -0.024 8.232 8.380 0.099 0.183 0.556 114 T N 1.823 116.507 114.554 0.216 0.000 2.928 114 T HA -0.188 4.477 4.350 0.240 -0.172 0.305 114 T C -0.608 174.206 174.700 0.189 0.000 1.035 114 T CA 2.690 64.940 62.100 0.251 0.000 1.145 114 T CB 0.756 69.841 68.868 0.363 0.000 0.963 114 T HN -0.720 7.673 8.240 0.256 0.000 0.545 115 T N 8.371 123.027 114.554 0.170 0.000 2.797 115 T HA 0.486 5.084 4.350 0.107 -0.183 0.279 115 T C -1.016 173.773 174.700 0.148 0.000 0.991 115 T CA -0.284 61.895 62.100 0.132 0.000 0.979 115 T CB 1.779 70.723 68.868 0.127 0.000 0.943 115 T HN 0.248 8.915 8.240 0.177 -0.321 0.444 116 I N 5.984 126.608 120.570 0.091 0.000 2.378 116 I HA 0.345 4.754 4.170 0.164 -0.141 0.291 116 I C -0.834 175.354 176.117 0.118 0.000 0.992 116 I CA -1.354 60.005 61.300 0.099 0.000 1.154 116 I CB 1.749 39.728 38.000 -0.035 0.000 1.315 116 I HN 0.547 8.787 8.210 0.050 0.000 0.448 117 G N 5.767 114.651 108.800 0.139 0.000 2.377 117 G HA2 0.612 4.892 3.960 0.171 0.000 0.299 117 G HA3 0.612 4.663 3.960 0.152 0.000 0.299 117 G C -2.934 172.029 174.900 0.106 0.000 1.150 117 G CA -1.433 43.757 45.100 0.151 0.000 0.847 117 G HN 0.678 9.047 8.290 0.131 0.000 0.501 118 L N 4.551 125.837 121.223 0.104 0.000 2.349 118 L HA 0.912 5.462 4.340 0.004 -0.207 0.278 118 L C -1.713 175.245 176.870 0.147 0.000 0.996 118 L CA -1.516 53.349 54.840 0.041 0.000 0.825 118 L CB 4.026 46.008 42.059 -0.127 0.000 1.243 118 L HN 0.212 8.507 8.230 0.108 0.000 0.412 119 T N 4.325 118.927 114.554 0.080 0.000 2.867 119 T HA 0.774 5.473 4.350 0.266 -0.190 0.282 119 T C -1.604 173.167 174.700 0.118 0.000 1.000 119 T CA -2.190 60.012 62.100 0.170 0.000 1.042 119 T CB 1.918 70.897 68.868 0.184 0.000 0.973 119 T HN 0.613 8.850 8.240 -0.006 0.000 0.465 120 V N 3.251 123.227 119.914 0.103 0.000 2.851 120 V HA 0.584 4.903 4.120 0.067 -0.159 0.307 120 V C -2.905 173.163 176.094 -0.043 0.000 1.129 120 V CA -2.129 60.165 62.300 -0.011 0.000 0.932 120 V CB 3.641 35.276 31.823 -0.313 0.000 1.024 120 V HN -0.008 8.260 8.190 0.130 0.000 0.426 121 F N 7.116 127.038 119.950 -0.047 0.000 2.436 121 F HA 0.662 5.438 4.527 0.089 -0.196 0.340 121 F C -1.345 174.421 175.800 -0.056 0.000 1.113 121 F CA -1.962 56.031 58.000 -0.012 0.000 1.022 121 F CB 2.394 41.352 39.000 -0.069 0.000 1.128 121 F HN 0.339 8.830 8.300 0.317 0.000 0.466 122 A N 5.121 128.006 122.820 0.107 0.000 2.522 122 A HA 0.478 4.883 4.320 0.141 0.000 0.285 122 A C -2.408 175.264 177.584 0.147 0.000 1.198 122 A CA -0.940 51.168 52.037 0.117 0.000 0.742 122 A CB 1.911 20.953 19.000 0.071 0.000 1.176 122 A HN 0.855 9.057 8.150 0.087 0.000 0.444 123 I N 3.778 124.458 120.570 0.183 0.000 2.530 123 I HA 0.348 4.780 4.170 0.145 -0.175 0.297 123 I C 0.672 176.934 176.117 0.241 0.000 1.011 123 I CA -2.888 58.517 61.300 0.175 0.000 1.107 123 I CB 2.146 40.228 38.000 0.137 0.000 1.285 123 I HN 0.321 8.643 8.210 0.187 0.000 0.436 124 K N 3.781 124.282 120.400 0.169 0.000 1.867 124 K HA -0.494 3.891 4.320 0.108 0.000 0.140 124 K C 1.140 177.830 176.600 0.149 0.000 1.408 124 K CA 2.593 58.971 56.287 0.151 0.000 0.461 124 K CB -1.376 31.223 32.500 0.165 0.000 0.594 124 K HN 0.079 8.877 8.250 0.132 -0.469 0.888 125 K N -1.766 118.707 120.400 0.121 0.000 2.442 125 K HA -0.209 4.109 4.320 -0.002 0.000 0.198 125 K C 2.190 178.793 176.600 0.005 0.000 1.042 125 K CA 2.382 58.673 56.287 0.007 0.000 0.958 125 K CB -0.284 32.167 32.500 -0.081 0.000 0.766 125 K HN 0.154 8.484 8.250 0.133 0.000 0.474 126 Y N -0.881 119.518 120.300 0.164 0.000 2.571 126 Y HA -0.299 4.582 4.550 0.551 0.000 0.294 126 Y C 1.865 177.906 175.900 0.235 0.000 1.141 126 Y CA 2.469 60.761 58.100 0.319 0.000 1.308 126 Y CB -0.420 38.180 38.460 0.233 0.000 1.002 126 Y HN -0.257 8.244 8.280 0.452 0.050 0.551 127 V N -2.345 117.698 119.914 0.215 0.000 2.594 127 V HA -0.498 3.701 4.120 0.133 0.000 0.253 127 V C 1.153 177.281 176.094 0.057 0.000 1.069 127 V CA 2.980 65.351 62.300 0.119 0.000 1.082 127 V CB -0.749 31.113 31.823 0.064 0.000 0.680 127 V HN -0.679 7.584 8.190 0.186 0.039 0.469 128 A N 0.581 123.377 122.820 -0.040 0.000 2.076 128 A HA -0.251 3.997 4.320 -0.121 0.000 0.220 128 A C 1.059 178.523 177.584 -0.199 0.000 1.160 128 A CA 2.387 54.314 52.037 -0.183 0.000 0.653 128 A CB -0.554 18.233 19.000 -0.355 0.000 0.801 128 A HN -0.587 7.509 8.150 -0.050 0.024 0.455 129 F N -4.658 115.310 119.950 0.030 0.000 2.710 129 F HA -0.032 4.528 4.527 0.055 0.000 0.298 129 F C 0.968 176.824 175.800 0.095 0.000 1.137 129 F CA 1.795 59.832 58.000 0.061 0.000 1.444 129 F CB 0.423 39.473 39.000 0.083 0.000 1.111 129 F HN -0.718 7.657 8.300 0.188 0.039 0.580 130 L N -1.007 120.338 121.223 0.204 0.000 2.046 130 L HA -0.477 3.968 4.340 0.175 0.000 0.208 130 L C 1.553 178.528 176.870 0.174 0.000 1.077 130 L CA 3.442 58.377 54.840 0.159 0.000 0.747 130 L CB -0.484 41.613 42.059 0.064 0.000 0.896 130 L HN -0.423 7.855 8.230 0.154 0.044 0.432 131 K N -1.099 119.367 120.400 0.109 0.000 2.009 131 K HA -0.367 3.985 4.320 0.053 0.000 0.210 131 K C 2.002 178.668 176.600 0.111 0.000 1.049 131 K CA 3.323 59.656 56.287 0.075 0.000 0.929 131 K CB -0.492 32.029 32.500 0.034 0.000 0.714 131 K HN -0.394 7.906 8.250 0.084 0.000 0.440 132 L N -1.560 119.751 121.223 0.146 0.000 2.093 132 L HA -0.232 4.180 4.340 0.119 0.000 0.208 132 L C 1.748 178.751 176.870 0.221 0.000 1.085 132 L CA 2.578 57.514 54.840 0.161 0.000 0.755 132 L CB -0.381 41.775 42.059 0.161 0.000 0.904 132 L HN -0.321 7.995 8.230 0.144 0.000 0.435 133 F N 0.284 120.322 119.950 0.147 0.000 2.069 133 F HA -0.413 4.262 4.527 0.247 0.000 0.298 133 F C 1.639 177.543 175.800 0.174 0.000 1.113 133 F CA 3.884 62.000 58.000 0.194 0.000 1.214 133 F CB 0.143 39.240 39.000 0.162 0.000 0.978 133 F HN -0.567 7.991 8.300 0.430 0.000 0.474 134 L N -2.591 118.758 121.223 0.211 0.000 2.072 134 L HA -0.490 3.738 4.340 -0.186 0.000 0.205 134 L C 2.089 178.909 176.870 -0.083 0.000 1.079 134 L CA 3.045 57.849 54.840 -0.060 0.000 0.752 134 L CB -0.482 41.501 42.059 -0.127 0.000 0.906 134 L HN 0.042 8.446 8.230 0.291 0.000 0.436 135 E N -1.214 118.984 120.200 -0.002 0.000 2.077 135 E HA -0.356 3.982 4.350 -0.020 0.000 0.193 135 E C 2.704 179.312 176.600 0.014 0.000 0.989 135 E CA 3.099 59.500 56.400 0.002 0.000 0.800 135 E CB 0.034 29.750 29.700 0.027 0.000 0.746 135 E HN -0.163 8.219 8.360 0.036 0.000 0.452 136 T N -2.574 112.024 114.554 0.073 0.000 2.942 136 T HA -0.263 4.166 4.350 0.131 0.000 0.265 136 T C 1.543 176.288 174.700 0.075 0.000 1.062 136 T CA 3.047 65.245 62.100 0.163 0.000 1.139 136 T CB 0.304 69.355 68.868 0.305 0.000 0.883 136 T HN -0.266 8.029 8.240 0.092 0.000 0.468 137 A N 1.754 124.506 122.820 -0.114 0.000 1.933 137 A HA -0.420 3.232 4.320 -1.115 0.000 0.218 137 A C 2.091 179.570 177.584 -0.176 0.000 1.175 137 A CA 3.147 54.880 52.037 -0.506 0.000 0.628 137 A CB -0.857 17.857 19.000 -0.476 0.000 0.814 137 A HN -0.151 7.945 8.150 -0.090 0.000 0.444 138 E N -3.941 116.226 120.200 -0.055 0.000 2.153 138 E HA -0.240 4.132 4.350 0.038 0.000 0.194 138 E C 1.106 177.646 176.600 -0.101 0.000 0.988 138 E CA 2.165 58.553 56.400 -0.020 0.000 0.811 138 E CB -0.320 29.373 29.700 -0.011 0.000 0.746 138 E HN -0.442 7.884 8.360 -0.058 0.000 0.466 139 K N -4.249 116.045 120.400 -0.176 0.000 2.243 139 K HA -0.087 4.067 4.320 -0.278 0.000 0.201 139 K C 0.961 177.245 176.600 -0.526 0.000 1.051 139 K CA 1.248 57.310 56.287 -0.375 0.000 0.970 139 K CB 0.131 32.325 32.500 -0.508 0.000 0.755 139 K HN -0.758 7.288 8.250 -0.143 0.118 0.465 140 H N -5.696 113.327 119.070 -0.077 0.000 3.643 140 H HA 0.187 4.727 4.556 -0.028 0.000 0.256 140 H C -1.921 173.271 175.328 -0.225 0.000 1.107 140 H CA 0.171 56.170 56.048 -0.082 0.000 1.175 140 H CB 3.247 33.038 29.762 0.048 0.000 1.519 140 H HN -0.546 7.535 8.280 -0.160 0.103 0.565 141 F N 2.801 122.483 119.950 -0.448 0.000 2.361 141 F HA 0.564 4.983 4.527 -0.516 -0.202 0.364 141 F C -0.969 174.624 175.800 -0.345 0.000 1.120 141 F CA -1.448 56.214 58.000 -0.563 0.000 1.102 141 F CB 1.488 39.921 39.000 -0.946 0.000 1.183 141 F HN 0.012 8.091 8.300 -0.203 0.100 0.476 142 M N 1.905 121.014 119.600 -0.819 0.000 2.461 142 M HA -0.455 3.693 4.480 -0.553 0.000 0.203 142 M C -1.595 174.579 176.300 -0.210 0.000 0.428 142 M CA 0.464 55.385 55.300 -0.632 0.000 0.509 142 M CB -2.848 29.196 32.600 -0.927 0.000 1.851 142 M HN 0.417 8.221 8.290 -0.811 0.000 0.834 143 V N -1.233 118.600 119.914 -0.135 0.000 2.599 143 V HA -0.355 3.718 4.120 -0.079 0.000 0.300 143 V C 0.711 176.781 176.094 -0.039 0.000 1.034 143 V CA 2.224 64.485 62.300 -0.065 0.000 1.115 143 V CB -0.244 31.552 31.823 -0.045 0.000 0.934 143 V HN -0.064 8.020 8.190 -0.162 0.009 0.485 144 G N 4.897 113.637 108.800 -0.100 0.000 2.213 144 G HA2 -0.296 3.565 3.960 -0.164 0.000 0.236 144 G HA3 -0.296 3.511 3.960 -0.254 0.000 0.236 144 G C -0.636 174.041 174.900 -0.371 0.000 0.991 144 G CA -0.030 44.941 45.100 -0.215 0.000 0.629 144 G HN 0.579 8.816 8.290 -0.088 0.000 0.517 145 H N 1.091 120.101 119.070 -0.100 0.000 2.615 145 H HA 0.282 4.805 4.556 -0.056 0.000 0.346 145 H C -0.903 174.368 175.328 -0.094 0.000 1.200 145 H CA -0.386 55.605 56.048 -0.095 0.000 1.264 145 H CB 2.273 31.946 29.762 -0.148 0.000 1.699 145 H HN -0.349 7.847 8.280 -0.028 0.067 0.567 146 R N -1.040 119.499 120.500 0.065 0.000 2.389 146 R HA 0.220 4.741 4.340 -0.015 -0.190 0.295 146 R C -0.618 175.674 176.300 -0.013 0.000 1.075 146 R CA 0.637 56.746 56.100 0.014 0.000 1.005 146 R CB 0.483 30.808 30.300 0.041 0.000 0.987 146 R HN -0.062 8.273 8.270 0.109 0.000 0.452 147 V N 2.275 122.144 119.914 -0.075 0.000 2.789 147 V HA 0.710 4.996 4.120 -0.081 -0.214 0.311 147 V C -1.911 174.074 176.094 -0.181 0.000 1.073 147 V CA -1.745 60.468 62.300 -0.145 0.000 0.921 147 V CB 4.099 35.759 31.823 -0.272 0.000 1.009 147 V HN -0.248 7.889 8.190 -0.088 0.000 0.426 148 H N 6.161 125.072 119.070 -0.266 0.000 2.727 148 H HA 0.567 5.109 4.556 -0.323 -0.180 0.330 148 H C -1.176 173.851 175.328 -0.500 0.000 0.986 148 H CA -2.709 53.122 56.048 -0.363 0.000 1.251 148 H CB 3.404 32.989 29.762 -0.295 0.000 1.493 148 H HN 0.382 8.643 8.280 -0.032 0.000 0.515 149 Y N 5.645 125.872 120.300 -0.121 0.000 2.304 149 Y HA 0.195 4.875 4.550 -0.049 -0.160 0.328 149 Y C -0.696 175.027 175.900 -0.295 0.000 1.123 149 Y CA -0.993 57.034 58.100 -0.122 0.000 1.218 149 Y CB 1.315 39.746 38.460 -0.050 0.000 1.207 149 Y HN 0.654 8.905 8.280 -0.050 0.000 0.495 150 Y N 0.699 121.084 120.300 0.143 0.000 2.376 150 Y HA 0.329 4.968 4.550 -0.120 -0.161 0.326 150 Y C -1.016 174.744 175.900 -0.234 0.000 0.970 150 Y CA -1.680 56.357 58.100 -0.105 0.000 1.248 150 Y CB 1.070 39.460 38.460 -0.117 0.000 1.117 150 Y HN 0.764 9.204 8.280 0.265 0.000 0.476 151 V N 3.380 123.179 119.914 -0.192 0.000 2.333 151 V HA 0.220 4.406 4.120 -0.147 -0.154 0.274 151 V C -1.098 174.756 176.094 -0.401 0.000 1.028 151 V CA -0.911 61.263 62.300 -0.211 0.000 0.851 151 V CB 1.113 32.856 31.823 -0.134 0.000 1.000 151 V HN 0.465 8.542 8.190 -0.187 0.000 0.456 152 F N 8.752 128.428 119.950 -0.456 0.000 2.411 152 F HA 0.727 5.220 4.527 -0.422 -0.220 0.355 152 F C -0.542 175.069 175.800 -0.316 0.000 1.117 152 F CA -0.906 56.758 58.000 -0.560 0.000 1.139 152 F CB 1.506 39.738 39.000 -1.280 0.000 1.120 152 F HN 0.625 8.796 8.300 -0.216 0.000 0.493 153 T N 2.724 117.262 114.554 -0.025 0.000 2.868 153 T HA 0.579 5.105 4.350 0.058 -0.142 0.306 153 T C -0.621 174.099 174.700 0.032 0.000 1.224 153 T CA -2.728 59.384 62.100 0.019 0.000 1.012 153 T CB 2.044 70.908 68.868 -0.007 0.000 1.221 153 T HN 0.353 8.565 8.240 -0.046 0.000 0.499 154 D N 3.787 124.218 120.400 0.051 0.000 2.349 154 D HA 0.082 4.738 4.640 0.025 0.000 0.215 154 D C 0.144 176.458 176.300 0.023 0.000 1.016 154 D CA -0.022 54.000 54.000 0.036 0.000 0.870 154 D CB -0.033 40.796 40.800 0.048 0.000 0.917 154 D HN 0.445 8.856 8.370 0.068 0.000 0.524 155 Q N -1.148 118.665 119.800 0.021 0.000 3.064 155 Q HA 0.511 4.857 4.340 0.010 0.000 0.258 155 Q C -1.818 174.182 176.000 -0.001 0.000 0.972 155 Q CA -2.796 53.014 55.803 0.012 0.000 0.761 155 Q CB 0.607 29.357 28.738 0.020 0.000 1.281 155 Q HN -0.576 7.657 8.270 0.023 0.050 0.455 156 P HA -0.257 4.145 4.420 -0.030 0.000 0.216 156 P C 1.062 178.352 177.300 -0.017 0.000 1.150 156 P CA 2.363 65.450 63.100 -0.021 0.000 0.843 156 P CB 0.010 31.696 31.700 -0.023 0.000 0.787 157 A N -4.398 118.415 122.820 -0.011 0.000 2.121 157 A HA -0.148 4.165 4.320 -0.012 0.000 0.218 157 A C 0.727 178.305 177.584 -0.010 0.000 1.154 157 A CA 1.551 53.582 52.037 -0.010 0.000 0.679 157 A CB -0.686 18.310 19.000 -0.007 0.000 0.795 157 A HN -0.081 8.052 8.150 -0.008 0.012 0.458 158 A N -3.097 119.718 122.820 -0.007 0.000 2.275 158 A HA 0.192 4.507 4.320 -0.008 0.000 0.212 158 A C 0.197 177.776 177.584 -0.008 0.000 1.201 158 A CA -0.457 51.577 52.037 -0.006 0.000 0.843 158 A CB 0.399 19.400 19.000 0.002 0.000 0.873 158 A HN -0.580 7.413 8.150 -0.005 0.154 0.492 159 V N 2.151 122.055 119.914 -0.015 0.000 2.479 159 V HA -0.047 4.063 4.120 -0.016 0.000 0.281 159 V C -1.530 174.551 176.094 -0.022 0.000 1.031 159 V CA -1.389 60.898 62.300 -0.022 0.000 1.038 159 V CB 0.165 31.966 31.823 -0.037 0.000 0.981 159 V HN -0.939 7.190 8.190 -0.017 0.050 0.478 160 P HA 0.101 4.510 4.420 -0.017 0.000 0.272 160 P C -1.104 176.179 177.300 -0.029 0.000 1.223 160 P CA -0.514 62.575 63.100 -0.019 0.000 0.784 160 P CB 0.744 32.438 31.700 -0.010 0.000 0.923 161 R N 0.712 121.197 120.500 -0.025 0.000 2.325 161 R HA 0.143 4.462 4.340 -0.034 0.000 0.323 161 R C -0.392 175.889 176.300 -0.031 0.000 1.177 161 R CA -0.271 55.812 56.100 -0.029 0.000 1.018 161 R CB -0.474 29.813 30.300 -0.023 0.000 1.070 161 R HN 0.295 8.552 8.270 -0.021 0.000 0.495 162 V N 5.586 125.474 119.914 -0.044 0.000 2.427 162 V HA 0.139 4.239 4.120 -0.034 0.000 0.286 162 V C -0.087 175.982 176.094 -0.042 0.000 1.034 162 V CA -0.823 61.449 62.300 -0.046 0.000 0.893 162 V CB 1.592 33.372 31.823 -0.072 0.000 0.982 162 V HN -0.006 8.152 8.190 -0.054 0.000 0.452 163 T N 7.943 122.480 114.554 -0.029 0.000 2.834 163 T HA -0.041 4.296 4.350 -0.020 0.000 0.298 163 T C -0.959 173.732 174.700 -0.015 0.000 0.966 163 T CA 0.605 62.693 62.100 -0.021 0.000 1.141 163 T CB 0.508 69.367 68.868 -0.016 0.000 0.905 163 T HN 0.044 8.268 8.240 -0.025 0.000 0.535 164 L N 5.552 126.772 121.223 -0.005 0.000 2.331 164 L HA 0.094 4.608 4.340 0.031 -0.155 0.275 164 L C 0.297 177.171 176.870 0.007 0.000 1.022 164 L CA -1.120 53.732 54.840 0.020 0.000 0.812 164 L CB 1.959 44.046 42.059 0.047 0.000 1.257 164 L HN 0.052 8.277 8.230 -0.008 0.000 0.435 165 G N 0.301 109.107 108.800 0.010 0.000 2.634 165 G HA2 0.042 3.994 3.960 -0.013 0.000 0.255 165 G HA3 0.042 3.994 3.960 -0.013 0.000 0.255 165 G C -1.293 173.598 174.900 -0.015 0.000 1.205 165 G CA -0.464 44.630 45.100 -0.009 0.000 0.884 165 G HN 0.314 8.972 8.290 0.023 -0.353 0.549 166 T N -0.690 113.850 114.554 -0.023 0.000 2.932 166 T HA -0.283 4.051 4.350 -0.026 0.000 0.312 166 T C 1.053 175.733 174.700 -0.034 0.000 1.071 166 T CA 1.477 63.561 62.100 -0.027 0.000 1.128 166 T CB 0.595 69.447 68.868 -0.026 0.000 0.984 166 T HN -0.019 8.207 8.240 -0.024 0.000 0.549 167 G N 5.373 114.151 108.800 -0.037 0.000 2.148 167 G HA2 -0.289 3.649 3.960 -0.038 0.000 0.254 167 G HA3 -0.289 3.648 3.960 -0.039 0.000 0.254 167 G C -1.596 173.269 174.900 -0.058 0.000 0.981 167 G CA 0.342 45.417 45.100 -0.041 0.000 0.670 167 G HN 0.492 8.761 8.290 -0.035 0.000 0.528 168 R N -1.157 119.306 120.500 -0.061 0.000 2.621 168 R HA 0.739 5.226 4.340 -0.121 -0.219 0.292 168 R C -1.806 174.443 176.300 -0.085 0.000 0.969 168 R CA -1.072 54.982 56.100 -0.078 0.000 0.887 168 R CB 3.428 33.718 30.300 -0.017 0.000 1.180 168 R HN -0.796 7.410 8.270 -0.049 0.035 0.450 169 Q N 0.741 120.435 119.800 -0.177 0.000 2.495 169 Q HA 0.398 4.656 4.340 -0.137 0.000 0.287 169 Q C -2.768 173.109 176.000 -0.206 0.000 1.078 169 Q CA -1.799 53.854 55.803 -0.250 0.000 0.793 169 Q CB 4.086 32.546 28.738 -0.464 0.000 1.459 169 Q HN 0.354 8.483 8.270 -0.236 0.000 0.422 170 L N 0.712 121.851 121.223 -0.141 0.000 2.410 170 L HA 0.618 5.162 4.340 0.041 -0.179 0.270 170 L C -1.327 175.513 176.870 -0.050 0.000 0.983 170 L CA -0.792 54.034 54.840 -0.024 0.000 0.822 170 L CB 3.503 45.569 42.059 0.011 0.000 1.285 170 L HN 0.270 8.412 8.230 -0.147 0.000 0.409 171 S N 6.100 121.799 115.700 -0.001 0.000 2.503 171 S HA 0.436 4.918 4.470 0.020 0.000 0.301 171 S C -1.950 172.611 174.600 -0.065 0.000 1.087 171 S CA -1.577 56.638 58.200 0.025 0.000 1.042 171 S CB 2.627 65.925 63.200 0.164 0.000 1.043 171 S HN 0.565 8.867 8.310 -0.013 0.000 0.489 172 V N 4.657 124.521 119.914 -0.084 0.000 2.394 172 V HA 0.412 4.583 4.120 -0.191 -0.166 0.282 172 V C -0.491 175.488 176.094 -0.191 0.000 1.031 172 V CA -0.681 61.532 62.300 -0.145 0.000 0.881 172 V CB 1.038 32.806 31.823 -0.092 0.000 0.982 172 V HN 0.275 8.434 8.190 -0.053 0.000 0.451 173 L N 8.048 129.061 121.223 -0.350 0.000 2.356 173 L HA 0.401 4.611 4.340 -0.217 0.000 0.277 173 L C -1.372 175.373 176.870 -0.208 0.000 0.996 173 L CA -1.343 53.275 54.840 -0.370 0.000 0.822 173 L CB 2.802 44.314 42.059 -0.912 0.000 1.256 173 L HN 0.659 8.626 8.230 -0.438 0.000 0.413 174 E N 3.684 123.844 120.200 -0.068 0.000 2.283 174 E HA 0.393 4.938 4.350 -0.023 -0.209 0.278 174 E C -0.010 176.617 176.600 0.045 0.000 1.027 174 E CA -1.072 55.321 56.400 -0.012 0.000 0.843 174 E CB 1.513 31.211 29.700 -0.003 0.000 1.062 174 E HN 0.199 8.534 8.360 -0.041 0.000 0.401 175 V N 0.230 120.176 119.914 0.054 0.000 2.785 175 V HA 0.196 4.398 4.120 0.137 0.000 0.300 175 V C 0.156 176.225 176.094 -0.042 0.000 1.062 175 V CA -1.751 60.594 62.300 0.075 0.000 1.029 175 V CB 1.071 32.966 31.823 0.119 0.000 1.024 175 V HN -0.233 7.981 8.190 0.041 0.000 0.477 176 R N 2.981 123.402 120.500 -0.132 0.000 2.421 176 R HA -0.055 4.148 4.340 -0.228 0.000 0.305 176 R C -0.228 175.704 176.300 -0.612 0.000 1.039 176 R CA -0.475 55.408 56.100 -0.361 0.000 1.003 176 R CB -0.848 29.162 30.300 -0.482 0.000 0.959 176 R HN 0.363 8.592 8.270 -0.069 0.000 0.427 177 A N 5.190 127.774 122.820 -0.393 0.000 2.425 177 A HA 0.018 4.199 4.320 -0.231 0.000 0.249 177 A C -1.309 176.058 177.584 -0.361 0.000 1.084 177 A CA 0.231 52.097 52.037 -0.284 0.000 0.781 177 A CB 0.694 19.633 19.000 -0.101 0.000 1.019 177 A HN 0.203 8.194 8.150 -0.264 0.000 0.490 178 Y N -0.164 120.156 120.300 0.034 0.000 2.442 178 Y HA 0.078 4.634 4.550 0.010 0.000 0.344 178 Y C 0.599 176.513 175.900 0.024 0.000 0.976 178 Y CA -1.328 56.783 58.100 0.018 0.000 1.040 178 Y CB 2.593 41.056 38.460 0.005 0.000 1.228 178 Y HN 0.038 8.336 8.280 0.031 0.000 0.451 179 K N 2.353 122.871 120.400 0.196 0.000 2.186 179 K HA -0.070 4.318 4.320 0.114 0.000 0.202 179 K C 0.229 176.885 176.600 0.093 0.000 1.052 179 K CA 0.643 57.000 56.287 0.117 0.000 0.965 179 K CB 0.295 32.843 32.500 0.080 0.000 0.746 179 K HN 0.295 8.668 8.250 0.206 0.000 0.457 180 R N 0.330 120.850 120.500 0.034 0.000 2.267 180 R HA 0.029 4.320 4.340 -0.083 0.000 0.319 180 R C 1.207 177.464 176.300 -0.071 0.000 1.067 180 R CA -0.813 55.229 56.100 -0.097 0.000 0.936 180 R CB -0.198 29.951 30.300 -0.251 0.000 1.006 180 R HN -0.125 8.167 8.270 0.037 0.000 0.452 181 W N 5.935 127.241 121.300 0.011 0.000 2.341 181 W HA -0.414 4.254 4.660 0.014 0.000 0.283 181 W C -0.040 176.461 176.519 -0.030 0.000 1.215 181 W CA 2.872 60.216 57.345 -0.002 0.000 1.211 181 W CB -1.161 28.294 29.460 -0.008 0.000 1.131 181 W HN 0.855 9.142 8.180 0.177 0.000 0.552 182 Q N -0.596 118.617 119.800 -0.978 0.000 2.084 182 Q HA -0.343 3.397 4.340 -1.000 0.000 0.202 182 Q C 2.120 177.871 176.000 -0.414 0.000 0.978 182 Q CA 4.087 59.322 55.803 -0.947 0.000 0.844 182 Q CB -0.823 27.283 28.738 -1.054 0.000 0.898 182 Q HN 0.199 7.683 8.270 -1.265 0.027 0.426 183 D N -1.424 118.734 120.400 -0.404 0.000 2.194 183 D HA -0.131 4.232 4.640 -0.461 0.000 0.204 183 D C 1.242 177.400 176.300 -0.237 0.000 0.964 183 D CA 2.432 56.126 54.000 -0.510 0.000 0.846 183 D CB -0.128 40.066 40.800 -1.010 0.000 0.962 183 D HN -0.683 7.348 8.370 -0.412 0.092 0.490 184 V N -1.194 118.726 119.914 0.010 0.000 2.358 184 V HA -0.487 3.785 4.120 0.255 0.000 0.246 184 V C 2.259 178.386 176.094 0.055 0.000 1.047 184 V CA 3.914 66.304 62.300 0.151 0.000 1.035 184 V CB 0.012 31.945 31.823 0.183 0.000 0.658 184 V HN -0.616 7.575 8.190 0.001 0.000 0.452 185 S N 0.596 116.332 115.700 0.061 0.000 2.383 185 S HA -0.324 4.163 4.470 0.027 0.000 0.229 185 S C 1.488 176.083 174.600 -0.007 0.000 1.030 185 S CA 2.984 61.215 58.200 0.053 0.000 1.002 185 S CB -0.004 63.299 63.200 0.172 0.000 0.829 185 S HN -0.160 8.202 8.310 0.087 0.000 0.467 186 M N -2.357 117.215 119.600 -0.046 0.000 2.595 186 M HA 0.048 4.500 4.480 -0.046 0.000 0.248 186 M C 0.721 176.947 176.300 -0.123 0.000 1.119 186 M CA 1.852 57.113 55.300 -0.063 0.000 1.079 186 M CB 0.269 32.849 32.600 -0.032 0.000 1.472 186 M HN -0.802 7.437 8.290 -0.069 0.010 0.501 187 R N 0.531 120.978 120.500 -0.089 0.000 2.081 187 R HA -0.388 3.958 4.340 0.011 0.000 0.235 187 R C 1.823 177.987 176.300 -0.228 0.000 1.131 187 R CA 4.479 60.553 56.100 -0.043 0.000 0.960 187 R CB -0.199 30.174 30.300 0.121 0.000 0.856 187 R HN -0.395 7.663 8.270 -0.058 0.177 0.436 188 R N -1.492 118.740 120.500 -0.448 0.000 2.070 188 R HA -0.299 3.258 4.340 -1.305 0.000 0.233 188 R C 2.654 178.725 176.300 -0.381 0.000 1.137 188 R CA 3.515 59.121 56.100 -0.822 0.000 0.945 188 R CB -0.701 29.041 30.300 -0.930 0.000 0.845 188 R HN 0.112 8.147 8.270 -0.392 0.000 0.430 189 M N -1.775 117.680 119.600 -0.242 0.000 2.117 189 M HA -0.218 4.206 4.480 -0.093 0.000 0.262 189 M C 2.460 178.645 176.300 -0.192 0.000 1.065 189 M CA 2.317 57.528 55.300 -0.149 0.000 1.114 189 M CB -1.450 31.082 32.600 -0.112 0.000 1.361 189 M HN -0.270 7.883 8.290 -0.229 0.000 0.408 190 E N 1.218 121.203 120.200 -0.358 0.000 2.058 190 E HA -0.256 3.665 4.350 -0.715 0.000 0.194 190 E C 2.762 179.248 176.600 -0.190 0.000 0.997 190 E CA 3.098 59.175 56.400 -0.539 0.000 0.801 190 E CB -0.041 29.234 29.700 -0.710 0.000 0.746 190 E HN -0.423 7.723 8.360 -0.356 0.000 0.450 191 M N -1.378 118.174 119.600 -0.080 0.000 2.200 191 M HA -0.279 4.300 4.480 0.165 0.000 0.265 191 M C 2.591 178.973 176.300 0.137 0.000 1.066 191 M CA 4.099 59.452 55.300 0.088 0.000 1.127 191 M CB 0.347 32.994 32.600 0.079 0.000 1.379 191 M HN -0.077 8.143 8.290 -0.117 0.000 0.420 192 I N -0.373 120.233 120.570 0.059 0.000 2.179 192 I HA -0.585 3.776 4.170 0.320 0.000 0.242 192 I C 1.946 178.183 176.117 0.200 0.000 1.088 192 I CA 4.192 65.611 61.300 0.198 0.000 1.357 192 I CB -0.440 37.661 38.000 0.168 0.000 1.051 192 I HN 0.034 8.239 8.210 -0.008 0.000 0.409 193 S N 0.086 115.831 115.700 0.075 0.000 2.368 193 S HA -0.390 4.114 4.470 0.056 0.000 0.225 193 S C 1.875 176.483 174.600 0.013 0.000 1.030 193 S CA 2.889 61.113 58.200 0.041 0.000 0.999 193 S CB 0.087 63.284 63.200 -0.005 0.000 0.844 193 S HN -0.236 8.088 8.310 0.024 0.000 0.459 194 D N 1.704 122.101 120.400 -0.004 0.000 2.117 194 D HA -0.249 4.324 4.640 -0.110 0.000 0.197 194 D C 1.843 178.003 176.300 -0.234 0.000 0.987 194 D CA 2.933 56.876 54.000 -0.096 0.000 0.829 194 D CB -0.145 40.609 40.800 -0.076 0.000 0.961 194 D HN -0.456 7.921 8.370 0.011 0.000 0.460 195 F N -1.189 118.619 119.950 -0.237 0.000 2.456 195 F HA -0.124 4.106 4.527 -0.494 0.000 0.298 195 F C 1.836 177.125 175.800 -0.852 0.000 1.104 195 F CA 3.431 61.065 58.000 -0.609 0.000 1.435 195 F CB 0.161 38.682 39.000 -0.797 0.000 1.078 195 F HN -0.340 8.076 8.300 0.194 0.000 0.546 196 C N -1.256 117.940 119.300 -0.173 0.000 2.411 196 C HA -0.489 4.131 4.460 0.267 0.000 0.279 196 C C 1.241 176.190 174.990 -0.070 0.000 1.288 196 C CA 5.275 64.334 59.018 0.069 0.000 1.764 196 C CB -0.787 27.059 27.740 0.177 0.000 1.974 196 C HN -0.030 8.083 8.230 -0.005 0.114 0.498 197 E N -0.686 119.427 120.200 -0.145 0.000 2.051 197 E HA -0.205 4.090 4.350 -0.092 0.000 0.189 197 E C 1.338 177.814 176.600 -0.208 0.000 0.979 197 E CA 2.315 58.627 56.400 -0.146 0.000 0.803 197 E CB -0.463 29.156 29.700 -0.135 0.000 0.761 197 E HN -0.696 7.568 8.360 -0.158 0.001 0.451 198 R N -3.117 117.171 120.500 -0.354 0.000 2.115 198 R HA -0.188 3.980 4.340 -0.286 0.000 0.230 198 R C 1.764 177.915 176.300 -0.248 0.000 1.111 198 R CA 2.428 58.304 56.100 -0.375 0.000 0.976 198 R CB 0.408 30.280 30.300 -0.713 0.000 0.870 198 R HN -0.635 7.367 8.270 -0.448 0.000 0.445 199 R N -5.619 114.719 120.500 -0.270 0.000 3.246 199 R HA 0.133 4.449 4.340 -0.040 0.000 0.144 199 R C 1.343 177.644 176.300 0.001 0.000 0.772 199 R CA 1.093 57.120 56.100 -0.123 0.000 1.364 199 R CB 2.277 32.512 30.300 -0.108 0.000 1.665 199 R HN -0.388 7.628 8.270 -0.374 0.030 0.520 200 F N 0.966 120.879 119.950 -0.063 0.000 2.186 200 F HA -0.063 4.406 4.527 -0.097 0.000 0.299 200 F C 2.199 177.987 175.800 -0.020 0.000 1.090 200 F CA 1.127 59.080 58.000 -0.079 0.000 1.307 200 F CB -0.643 38.296 39.000 -0.101 0.000 1.019 200 F HN -0.191 7.886 8.300 -0.371 0.000 0.489 201 L N -3.836 117.476 121.223 0.147 0.000 2.079 201 L HA -0.301 4.088 4.340 0.082 0.000 0.210 201 L C 1.247 178.157 176.870 0.068 0.000 1.081 201 L CA 2.586 57.475 54.840 0.081 0.000 0.752 201 L CB -0.296 41.783 42.059 0.035 0.000 0.896 201 L HN -0.712 7.578 8.230 0.100 0.000 0.433 202 S N -3.310 112.432 115.700 0.070 0.000 2.446 202 S HA -0.055 4.448 4.470 0.054 0.000 0.225 202 S C 0.844 175.505 174.600 0.101 0.000 1.016 202 S CA 2.151 60.392 58.200 0.068 0.000 0.943 202 S CB 0.406 63.638 63.200 0.053 0.000 0.786 202 S HN -0.517 7.820 8.310 0.065 0.011 0.508 203 E N -0.604 119.683 120.200 0.145 0.000 2.290 203 E HA 0.137 4.592 4.350 0.175 0.000 0.197 203 E C -0.695 176.020 176.600 0.191 0.000 0.948 203 E CA 1.086 57.600 56.400 0.191 0.000 0.895 203 E CB 2.140 31.992 29.700 0.254 0.000 0.865 203 E HN -0.574 7.768 8.360 0.159 0.114 0.486 204 V N -7.933 112.081 119.914 0.167 0.000 3.130 204 V HA 0.234 4.439 4.120 0.143 0.000 0.310 204 V C -2.489 173.645 176.094 0.065 0.000 1.158 204 V CA -2.419 59.963 62.300 0.136 0.000 1.029 204 V CB 3.335 35.247 31.823 0.150 0.000 1.057 204 V HN -0.655 7.632 8.190 0.162 0.000 0.436 205 D N -1.222 119.203 120.400 0.041 0.000 2.277 205 D HA 0.183 4.737 4.640 -0.144 0.000 0.209 205 D C -0.254 175.819 176.300 -0.379 0.000 0.970 205 D CA 2.473 56.392 54.000 -0.134 0.000 0.874 205 D CB 2.201 42.957 40.800 -0.073 0.000 0.982 205 D HN -0.028 8.400 8.370 0.097 0.000 0.504 206 Y N -3.330 117.005 120.300 0.058 0.000 2.545 206 Y HA 0.456 5.175 4.550 0.058 -0.134 0.348 206 Y C -1.943 173.965 175.900 0.014 0.000 1.002 206 Y CA -0.964 57.166 58.100 0.051 0.000 1.039 206 Y CB 4.240 42.734 38.460 0.057 0.000 1.271 206 Y HN -0.813 7.577 8.280 0.183 0.000 0.467 207 L N -1.011 120.299 121.223 0.145 0.000 2.365 207 L HA 0.615 5.109 4.340 -0.033 -0.173 0.273 207 L C -1.444 175.456 176.870 0.051 0.000 1.000 207 L CA -1.088 53.749 54.840 -0.005 0.000 0.819 207 L CB 3.699 45.661 42.059 -0.162 0.000 1.284 207 L HN 0.577 8.909 8.230 0.170 0.000 0.418 208 V N 1.413 121.354 119.914 0.045 0.000 2.487 208 V HA 0.420 4.731 4.120 0.122 -0.118 0.298 208 V C -1.539 174.465 176.094 -0.149 0.000 1.028 208 V CA -1.172 61.180 62.300 0.086 0.000 0.860 208 V CB 2.793 34.796 31.823 0.300 0.000 0.991 208 V HN 0.492 8.696 8.190 0.023 0.000 0.427 209 C N 7.611 126.690 119.300 -0.368 0.000 2.293 209 C HA 0.628 5.055 4.460 -0.280 -0.135 0.323 209 C C -1.002 173.738 174.990 -0.417 0.000 1.240 209 C CA -1.510 57.211 59.018 -0.496 0.000 1.497 209 C CB 0.805 27.939 27.740 -1.010 0.000 2.171 209 C HN 0.740 8.713 8.230 -0.428 0.000 0.465 210 V N -1.030 118.762 119.914 -0.203 0.000 3.102 210 V HA 0.909 5.212 4.120 -0.071 -0.226 0.312 210 V C -1.743 174.360 176.094 0.014 0.000 1.135 210 V CA -4.043 58.198 62.300 -0.099 0.000 1.022 210 V CB 3.700 35.396 31.823 -0.212 0.000 1.056 210 V HN 0.082 8.195 8.190 -0.129 0.000 0.436 211 D N 0.084 120.531 120.400 0.078 0.000 2.313 211 D HA 0.194 4.806 4.640 -0.048 0.000 0.247 211 D C -0.449 175.803 176.300 -0.079 0.000 1.094 211 D CA -0.192 53.799 54.000 -0.015 0.000 0.925 211 D CB 0.943 41.720 40.800 -0.039 0.000 1.188 211 D HN -0.464 7.993 8.370 0.145 0.000 0.430 212 V N 1.487 121.266 119.914 -0.226 0.000 3.052 212 V HA -0.141 3.541 4.120 -0.731 0.000 0.254 212 V C -0.662 175.311 176.094 -0.202 0.000 1.100 212 V CA 1.561 63.642 62.300 -0.365 0.000 1.112 212 V CB 0.553 32.216 31.823 -0.267 0.000 0.738 212 V HN 0.374 8.445 8.190 -0.198 0.000 0.469 213 D N -1.335 118.831 120.400 -0.391 0.000 3.032 213 D HA -0.052 3.785 4.640 -1.340 0.000 0.241 213 D C -1.641 174.389 176.300 -0.451 0.000 1.196 213 D CA -0.324 53.148 54.000 -0.880 0.000 0.927 213 D CB -2.599 37.528 40.800 -1.123 0.000 1.129 213 D HN 0.116 8.287 8.370 -0.331 0.000 0.458 214 M N -1.958 117.523 119.600 -0.199 0.000 2.683 214 M HA 0.609 4.999 4.480 -0.394 -0.146 0.274 214 M C -2.057 174.178 176.300 -0.107 0.000 1.272 214 M CA -1.448 53.652 55.300 -0.333 0.000 0.833 214 M CB 5.484 37.626 32.600 -0.764 0.000 1.708 214 M HN -0.431 7.786 8.290 -0.019 0.061 0.463 215 E N -3.295 116.738 120.200 -0.279 0.000 2.356 215 E HA 0.436 4.806 4.350 0.033 0.000 0.275 215 E C -1.907 174.619 176.600 -0.124 0.000 0.904 215 E CA -1.916 54.442 56.400 -0.071 0.000 0.757 215 E CB 3.968 33.695 29.700 0.045 0.000 1.232 215 E HN 0.416 8.505 8.360 -0.452 0.000 0.442 216 F N 1.219 121.258 119.950 0.148 0.000 2.438 216 F HA 0.268 5.102 4.527 0.238 -0.163 0.356 216 F C 0.143 175.964 175.800 0.035 0.000 1.099 216 F CA 0.974 59.074 58.000 0.166 0.000 1.185 216 F CB 0.492 39.598 39.000 0.178 0.000 1.115 216 F HN 0.096 8.631 8.300 0.392 0.000 0.526 217 R N 1.497 121.993 120.500 -0.007 0.000 2.344 217 R HA 0.083 4.380 4.340 -0.072 0.000 0.209 217 R C -0.852 175.107 176.300 -0.567 0.000 0.886 217 R CA 0.134 56.124 56.100 -0.183 0.000 1.040 217 R CB 2.142 32.374 30.300 -0.113 0.000 1.114 217 R HN 0.406 8.562 8.270 -0.008 0.109 0.547 218 D N -2.535 117.509 120.400 -0.594 0.000 2.677 218 D HA 0.095 4.328 4.640 -0.678 0.000 0.298 218 D C -2.380 173.832 176.300 -0.147 0.000 1.250 218 D CA -1.143 52.574 54.000 -0.472 0.000 0.888 218 D CB 2.468 43.177 40.800 -0.152 0.000 1.397 218 D HN -0.793 7.375 8.370 -0.337 0.000 0.461 219 H N -0.350 118.725 119.070 0.009 0.000 3.125 219 H HA -0.229 4.576 4.556 0.196 -0.132 0.310 219 H C -0.446 174.950 175.328 0.113 0.000 0.980 219 H CA 1.644 57.767 56.048 0.125 0.000 1.422 219 H CB 0.019 29.858 29.762 0.129 0.000 1.432 219 H HN 0.103 8.518 8.280 0.225 0.000 0.577 220 V N 8.731 128.472 119.914 -0.287 0.000 2.409 220 V HA 0.250 4.397 4.120 0.046 0.000 0.290 220 V C -1.786 173.961 176.094 -0.577 0.000 1.017 220 V CA -0.780 61.441 62.300 -0.132 0.000 0.841 220 V CB 1.465 33.517 31.823 0.382 0.000 1.003 220 V HN 0.073 8.095 8.190 -0.281 0.000 0.426 221 G N 4.427 112.840 108.800 -0.646 0.000 3.166 221 G HA2 0.655 4.182 3.960 -0.721 0.000 0.267 221 G HA3 0.655 4.291 3.960 -0.566 -0.016 0.267 221 G C -0.400 174.160 174.900 -0.565 0.000 1.256 221 G CA -0.773 43.946 45.100 -0.634 0.000 0.859 221 G HN -0.062 8.413 8.290 -0.385 -0.415 0.590 222 V N -2.901 116.646 119.914 -0.611 0.000 3.078 222 V HA -0.205 3.282 4.120 -1.056 0.000 0.265 222 V C 1.376 176.975 176.094 -0.826 0.000 1.122 222 V CA 1.898 63.636 62.300 -0.937 0.000 1.141 222 V CB -0.317 30.784 31.823 -1.202 0.000 0.735 222 V HN 0.534 8.435 8.190 -0.481 0.000 0.498 223 E N 1.250 121.078 120.200 -0.620 0.000 2.267 223 E HA -0.300 3.728 4.350 -0.536 0.000 0.197 223 E C 1.190 177.397 176.600 -0.656 0.000 0.998 223 E CA 2.498 58.491 56.400 -0.678 0.000 0.830 223 E CB -1.062 27.904 29.700 -1.225 0.000 0.751 223 E HN 0.246 8.250 8.360 -0.525 0.041 0.491 224 I N -6.524 113.605 120.570 -0.734 0.000 3.059 224 I HA -0.006 3.629 4.170 -0.892 0.000 0.270 224 I C -0.408 175.239 176.117 -0.784 0.000 1.238 224 I CA 1.039 61.806 61.300 -0.889 0.000 1.478 224 I CB 0.261 37.606 38.000 -1.090 0.000 1.097 224 I HN -0.715 7.039 8.210 -0.708 0.031 0.455 225 L N -0.137 120.651 121.223 -0.725 0.000 2.380 225 L HA 0.019 4.018 4.340 -0.569 0.000 0.273 225 L C -0.862 175.827 176.870 -0.302 0.000 1.138 225 L CA 0.546 54.956 54.840 -0.718 0.000 0.832 225 L CB 0.339 41.586 42.059 -1.353 0.000 1.124 225 L HN -0.730 6.862 8.230 -0.810 0.152 0.454 226 T N 0.637 115.182 114.554 -0.014 0.000 2.717 226 T HA 0.222 4.724 4.350 0.253 0.000 0.315 226 T C -2.165 172.770 174.700 0.391 0.000 1.746 226 T CA -2.394 59.842 62.100 0.226 0.000 1.001 226 T CB 1.386 70.343 68.868 0.148 0.000 1.673 226 T HN -0.072 8.187 8.240 0.032 0.000 0.498 227 P HA -0.094 4.488 4.420 0.269 0.000 0.215 227 P C -1.623 175.809 177.300 0.220 0.000 1.153 227 P CA 2.447 65.699 63.100 0.254 0.000 0.853 227 P CB 0.362 32.167 31.700 0.176 0.000 0.788 228 L N -4.114 117.237 121.223 0.214 0.000 2.516 228 L HA 0.422 4.961 4.340 0.085 -0.149 0.267 228 L C -2.876 174.111 176.870 0.194 0.000 0.957 228 L CA -0.372 54.554 54.840 0.143 0.000 0.860 228 L CB 3.284 45.415 42.059 0.120 0.000 1.265 228 L HN -0.491 7.878 8.230 0.231 0.000 0.403 229 F N 2.835 122.826 119.950 0.068 0.000 2.576 229 F HA 1.083 5.790 4.527 0.014 -0.171 0.313 229 F C -1.826 173.974 175.800 -0.001 0.000 1.078 229 F CA -3.050 54.955 58.000 0.008 0.000 0.921 229 F CB 3.480 42.435 39.000 -0.074 0.000 1.232 229 F HN 0.602 8.759 8.300 -0.238 0.000 0.459 230 G N -1.556 107.324 108.800 0.134 0.000 2.685 230 G HA2 0.575 4.597 3.960 0.104 0.000 0.298 230 G HA3 0.575 4.413 3.960 -0.203 0.000 0.298 230 G C -2.428 172.629 174.900 0.261 0.000 1.277 230 G CA -1.699 43.449 45.100 0.079 0.000 0.986 230 G HN -0.354 8.033 8.290 0.161 0.000 0.487 231 T N 1.472 116.204 114.554 0.296 0.000 2.848 231 T HA 0.389 4.886 4.350 -0.003 -0.149 0.285 231 T C -0.518 174.302 174.700 0.200 0.000 0.995 231 T CA -1.020 61.157 62.100 0.127 0.000 0.970 231 T CB 2.601 71.484 68.868 0.026 0.000 0.976 231 T HN -0.046 8.403 8.240 0.350 0.000 0.441 232 L N 6.147 127.395 121.223 0.042 0.000 2.562 232 L HA -0.177 4.184 4.340 0.034 0.000 0.271 232 L C -0.666 176.332 176.870 0.213 0.000 1.167 232 L CA 0.348 55.222 54.840 0.058 0.000 0.917 232 L CB -0.397 41.633 42.059 -0.048 0.000 1.187 232 L HN 0.273 8.463 8.230 -0.066 0.000 0.482 233 H N 7.344 126.536 119.070 0.204 0.000 2.964 233 H HA -0.017 4.683 4.556 0.240 0.000 0.328 233 H C -0.477 175.042 175.328 0.318 0.000 1.030 233 H CA 0.381 56.600 56.048 0.286 0.000 1.445 233 H CB 2.196 32.231 29.762 0.455 0.000 1.449 233 H HN -0.002 8.505 8.280 0.379 0.000 0.581 234 P HA -0.037 4.678 4.420 0.490 0.000 0.226 234 P C 0.244 177.695 177.300 0.251 0.000 1.153 234 P CA 1.073 64.324 63.100 0.252 0.000 0.777 234 P CB 0.242 31.805 31.700 -0.229 0.000 0.794 235 G N -2.861 106.132 108.800 0.322 0.000 2.712 235 G HA2 -0.110 3.666 3.960 -0.307 0.000 0.212 235 G HA3 -0.110 3.557 3.960 -0.489 0.000 0.212 235 G C -0.346 174.137 174.900 -0.695 0.000 1.142 235 G CA 0.842 45.768 45.100 -0.289 0.000 0.789 235 G HN -0.109 8.699 8.290 0.920 0.033 0.535 236 F N -2.826 117.194 119.950 0.117 0.000 2.899 236 F HA 0.393 4.922 4.527 0.003 0.000 0.337 236 F C 0.748 176.645 175.800 0.162 0.000 1.129 236 F CA -1.463 56.566 58.000 0.049 0.000 1.128 236 F CB 1.557 40.493 39.000 -0.105 0.000 1.154 236 F HN -0.682 7.804 8.300 0.395 0.051 0.531 237 Y N 0.447 120.946 120.300 0.331 0.000 2.352 237 Y HA -0.188 4.568 4.550 0.345 0.000 0.292 237 Y C 0.742 176.849 175.900 0.346 0.000 1.136 237 Y CA 1.894 60.195 58.100 0.336 0.000 1.227 237 Y CB -0.842 37.802 38.460 0.307 0.000 0.991 237 Y HN -0.479 8.053 8.280 0.420 0.000 0.545 238 G N -2.314 106.295 108.800 -0.319 0.000 3.189 238 G HA2 -0.015 3.975 3.960 0.051 0.000 0.225 238 G HA3 -0.015 3.777 3.960 -0.279 0.000 0.225 238 G C -0.426 174.480 174.900 0.010 0.000 1.159 238 G CA -0.551 44.473 45.100 -0.127 0.000 0.763 238 G HN 0.198 8.035 8.290 -0.732 0.014 0.549 239 S N 2.102 117.881 115.700 0.131 0.000 2.616 239 S HA 0.217 4.706 4.470 0.032 0.000 0.277 239 S C -0.492 174.122 174.600 0.022 0.000 1.234 239 S CA -0.678 57.597 58.200 0.125 0.000 1.028 239 S CB 1.546 64.916 63.200 0.284 0.000 0.988 239 S HN -0.503 7.778 8.310 0.235 0.170 0.522 240 S N 1.356 116.978 115.700 -0.130 0.000 2.585 240 S HA 0.100 4.419 4.470 -0.251 0.000 0.273 240 S C 1.333 175.490 174.600 -0.738 0.000 1.339 240 S CA -0.148 57.876 58.200 -0.294 0.000 1.028 240 S CB 1.300 64.391 63.200 -0.182 0.000 0.906 240 S HN 0.277 8.533 8.310 -0.091 0.000 0.528 241 R N 2.051 122.027 120.500 -0.873 0.000 2.152 241 R HA -0.348 2.184 4.340 -3.013 0.000 0.232 241 R C 1.345 177.213 176.300 -0.720 0.000 1.117 241 R CA 3.014 58.306 56.100 -1.346 0.000 0.981 241 R CB -0.598 29.359 30.300 -0.572 0.000 0.870 241 R HN 0.519 8.447 8.270 -0.569 0.000 0.451 242 E N -1.735 118.235 120.200 -0.383 0.000 2.268 242 E HA -0.211 4.052 4.350 -0.145 0.000 0.195 242 E C 1.192 177.692 176.600 -0.167 0.000 0.995 242 E CA 2.143 58.426 56.400 -0.195 0.000 0.836 242 E CB -0.728 28.904 29.700 -0.115 0.000 0.763 242 E HN 0.374 8.514 8.360 -0.340 0.017 0.491 243 A N -1.024 121.670 122.820 -0.210 0.000 2.123 243 A HA -0.033 4.269 4.320 -0.029 0.000 0.214 243 A C -0.213 177.367 177.584 -0.007 0.000 1.152 243 A CA 0.208 52.208 52.037 -0.062 0.000 0.728 243 A CB 0.025 19.025 19.000 0.001 0.000 0.814 243 A HN -0.512 7.336 8.150 -0.296 0.125 0.464 244 F N -0.127 119.617 119.950 -0.342 0.000 2.607 244 F HA -0.092 3.723 4.527 -1.186 0.000 0.374 244 F C 0.402 175.729 175.800 -0.788 0.000 1.104 244 F CA -1.425 56.063 58.000 -0.852 0.000 1.296 244 F CB 0.281 38.631 39.000 -1.082 0.000 1.085 244 F HN -0.685 7.282 8.300 -0.370 0.111 0.584 245 T N 0.071 114.053 114.554 -0.953 0.000 3.467 245 T HA -0.154 4.122 4.350 -0.122 0.000 0.232 245 T C -1.219 173.519 174.700 0.062 0.000 0.876 245 T CA -1.595 60.293 62.100 -0.353 0.000 0.939 245 T CB -1.000 67.727 68.868 -0.236 0.000 1.165 245 T HN 0.018 7.157 8.240 -1.835 0.000 0.615 246 Y N 0.457 120.839 120.300 0.136 0.000 2.511 246 Y HA -0.267 4.450 4.550 0.278 0.000 0.347 246 Y C 0.360 176.339 175.900 0.131 0.000 1.257 246 Y CA -0.110 58.110 58.100 0.199 0.000 1.469 246 Y CB 0.362 38.904 38.460 0.136 0.000 1.353 246 Y HN -0.760 7.412 8.280 -0.044 0.083 0.617 247 E N 0.082 120.437 120.200 0.259 0.000 2.366 247 E HA -0.181 4.242 4.350 0.122 0.000 0.266 247 E C 0.546 177.273 176.600 0.212 0.000 1.015 247 E CA 0.810 57.299 56.400 0.150 0.000 0.906 247 E CB 0.096 29.825 29.700 0.048 0.000 0.979 247 E HN 0.388 8.885 8.360 0.229 0.000 0.443 248 R N 4.275 124.903 120.500 0.214 0.000 2.397 248 R HA 0.213 4.787 4.340 0.389 0.000 0.241 248 R C 0.285 176.762 176.300 0.295 0.000 0.914 248 R CA -1.578 54.703 56.100 0.303 0.000 1.071 248 R CB 0.206 30.621 30.300 0.193 0.000 1.116 248 R HN 0.273 8.635 8.270 0.153 0.000 0.524 249 R N 1.110 121.695 120.500 0.142 0.000 2.221 249 R HA 0.371 4.660 4.340 -0.085 0.000 0.327 249 R C -1.362 174.771 176.300 -0.279 0.000 1.033 249 R CA -1.864 54.205 56.100 -0.052 0.000 0.887 249 R CB -0.142 30.137 30.300 -0.036 0.000 1.057 249 R HN -0.361 8.322 8.270 0.134 -0.333 0.455 250 P HA -0.137 3.284 4.420 -1.665 0.000 0.225 250 P C 0.022 177.110 177.300 -0.354 0.000 1.148 250 P CA 1.684 64.210 63.100 -0.958 0.000 0.779 250 P CB 0.111 31.331 31.700 -0.801 0.000 0.780 251 Q N -3.869 115.809 119.800 -0.203 0.000 2.369 251 Q HA -0.022 4.263 4.340 -0.092 0.000 0.206 251 Q C 0.080 176.056 176.000 -0.040 0.000 0.963 251 Q CA 1.201 56.947 55.803 -0.096 0.000 0.894 251 Q CB -0.366 28.332 28.738 -0.066 0.000 0.965 251 Q HN 0.081 8.191 8.270 -0.200 0.039 0.475 252 S N -2.384 113.301 115.700 -0.024 0.000 2.541 252 S HA 0.113 4.751 4.470 0.044 -0.142 0.283 252 S C 1.076 175.714 174.600 0.064 0.000 1.196 252 S CA -1.635 56.585 58.200 0.033 0.000 1.062 252 S CB 1.621 64.839 63.200 0.030 0.000 1.009 252 S HN -0.652 7.587 8.310 -0.048 0.042 0.502 253 Q N 7.421 127.278 119.800 0.095 0.000 2.291 253 Q HA -0.277 4.118 4.340 0.092 0.000 0.206 253 Q C 1.412 177.454 176.000 0.070 0.000 0.976 253 Q CA 2.396 58.265 55.803 0.110 0.000 0.875 253 Q CB -0.442 28.394 28.738 0.163 0.000 0.927 253 Q HN 0.514 9.197 8.270 0.119 -0.341 0.450 254 A N -2.641 120.145 122.820 -0.058 0.000 2.238 254 A HA -0.064 4.158 4.320 -0.163 0.000 0.208 254 A C -1.151 176.401 177.584 -0.054 0.000 1.177 254 A CA -0.610 51.306 52.037 -0.202 0.000 0.804 254 A CB -0.349 18.293 19.000 -0.598 0.000 0.823 254 A HN -0.755 7.316 8.150 -0.075 0.034 0.482 255 Y N 1.013 121.259 120.300 -0.091 0.000 2.810 255 Y HA -0.273 4.449 4.550 -0.042 -0.198 0.332 255 Y C -1.519 174.333 175.900 -0.080 0.000 1.243 255 Y CA 0.844 58.908 58.100 -0.059 0.000 1.537 255 Y CB -0.039 38.400 38.460 -0.034 0.000 1.265 255 Y HN -0.876 7.448 8.280 0.178 0.063 0.572 256 I N 8.281 128.526 120.570 -0.542 0.000 2.478 256 I HA 0.280 4.032 4.170 -0.697 0.000 0.287 256 I C -2.391 173.314 176.117 -0.687 0.000 1.042 256 I CA -3.378 57.531 61.300 -0.652 0.000 1.067 256 I CB 2.677 40.331 38.000 -0.576 0.000 1.233 256 I HN 0.355 8.387 8.210 -0.296 0.000 0.431 257 P HA 0.134 4.391 4.420 -0.272 0.000 0.272 257 P C 0.497 177.746 177.300 -0.085 0.000 1.240 257 P CA -0.767 62.130 63.100 -0.337 0.000 0.791 257 P CB 0.531 32.108 31.700 -0.204 0.000 0.978 258 K N -1.083 119.316 120.400 -0.002 0.000 2.280 258 K HA -0.280 4.063 4.320 0.038 0.000 0.202 258 K C -0.159 176.439 176.600 -0.003 0.000 1.047 258 K CA 2.302 58.599 56.287 0.017 0.000 0.942 258 K CB -0.647 31.863 32.500 0.017 0.000 0.739 258 K HN 0.503 8.764 8.250 0.020 0.000 0.457 259 D N -5.215 115.178 120.400 -0.012 0.000 2.342 259 D HA 0.106 4.733 4.640 -0.022 0.000 0.221 259 D C -0.762 175.529 176.300 -0.015 0.000 1.101 259 D CA -0.583 53.407 54.000 -0.017 0.000 0.837 259 D CB -1.038 39.754 40.800 -0.014 0.000 0.938 259 D HN -0.129 8.200 8.370 -0.016 0.031 0.508 260 E N -0.682 119.515 120.200 -0.006 0.000 2.299 260 E HA 0.214 4.560 4.350 -0.007 0.000 0.265 260 E C -1.379 175.288 176.600 0.111 0.000 0.911 260 E CA -0.961 55.437 56.400 -0.003 0.000 0.789 260 E CB 3.584 33.233 29.700 -0.084 0.000 1.246 260 E HN -0.607 7.693 8.360 -0.001 0.059 0.427 261 G N 1.443 110.310 108.800 0.112 0.000 2.653 261 G HA2 -0.164 3.917 3.960 0.201 0.000 0.656 261 G HA3 -0.164 4.146 3.960 0.582 0.000 0.656 261 G C -1.014 174.017 174.900 0.218 0.000 1.419 261 G CA -0.379 44.895 45.100 0.291 0.000 0.862 261 G HN 0.130 8.449 8.290 0.047 0.000 0.639 262 D N 2.911 123.408 120.400 0.161 0.000 2.414 262 D HA 0.334 4.875 4.640 -0.166 0.000 0.237 262 D C 0.324 176.388 176.300 -0.393 0.000 0.975 262 D CA 1.945 55.849 54.000 -0.159 0.000 0.917 262 D CB 1.489 42.250 40.800 -0.065 0.000 1.061 262 D HN 0.410 8.899 8.370 0.197 0.000 0.480 263 F N -3.772 116.287 119.950 0.182 0.000 2.662 263 F HA 0.109 4.632 4.527 -0.006 0.000 0.312 263 F C -1.937 173.449 175.800 -0.691 0.000 1.113 263 F CA -1.895 55.963 58.000 -0.237 0.000 0.951 263 F CB 3.247 41.916 39.000 -0.552 0.000 1.344 263 F HN -0.781 7.572 8.300 0.089 0.000 0.462 264 Y N 3.055 122.742 120.300 -1.022 0.000 2.434 264 Y HA 0.192 4.546 4.550 -0.584 -0.155 0.341 264 Y C -1.398 174.299 175.900 -0.338 0.000 0.965 264 Y CA -0.901 56.678 58.100 -0.868 0.000 1.205 264 Y CB 0.861 38.497 38.460 -1.374 0.000 1.121 264 Y HN 0.264 8.082 8.280 -0.771 0.000 0.507 265 Y N 7.910 128.008 120.300 -0.336 0.000 2.299 265 Y HA 0.487 5.242 4.550 0.023 -0.192 0.326 265 Y C 0.787 176.607 175.900 -0.132 0.000 1.164 265 Y CA -1.270 56.763 58.100 -0.111 0.000 1.234 265 Y CB 1.431 39.870 38.460 -0.036 0.000 1.219 265 Y HN 0.027 8.427 8.280 -0.366 -0.340 0.497 266 G N 0.103 109.064 108.800 0.269 0.000 2.353 266 G HA2 0.093 4.411 3.960 0.357 0.000 0.284 266 G HA3 0.093 4.209 3.960 0.260 0.000 0.284 266 G C 0.019 175.076 174.900 0.261 0.000 1.172 266 G CA -0.902 44.368 45.100 0.284 0.000 0.854 266 G HN 0.187 8.662 8.290 0.309 0.000 0.485 267 G N 2.822 111.757 108.800 0.225 0.000 2.535 267 G HA2 -0.264 3.834 3.960 0.230 0.000 0.218 267 G HA3 -0.264 3.818 3.960 0.204 0.000 0.218 267 G C -0.505 174.599 174.900 0.341 0.000 1.122 267 G CA 1.257 46.507 45.100 0.249 0.000 0.769 267 G HN 0.416 9.194 8.290 0.216 -0.358 0.549 268 A N -1.893 121.096 122.820 0.281 0.000 2.238 268 A HA -0.056 4.546 4.320 0.195 -0.165 0.208 268 A C -1.396 176.405 177.584 0.362 0.000 1.177 268 A CA 0.254 52.441 52.037 0.249 0.000 0.804 268 A CB 0.585 19.679 19.000 0.156 0.000 0.823 268 A HN -0.069 8.176 8.150 0.250 0.054 0.482 269 F N -0.626 119.477 119.950 0.255 0.000 3.240 269 F HA 0.495 5.253 4.527 0.102 -0.170 0.370 269 F C -2.864 173.092 175.800 0.259 0.000 1.271 269 F CA -2.033 56.093 58.000 0.211 0.000 1.224 269 F CB 1.312 40.479 39.000 0.277 0.000 1.624 269 F HN -0.806 7.763 8.300 0.530 0.049 0.658 270 F N 1.161 121.326 119.950 0.358 0.000 2.715 270 F HA 0.579 5.043 4.527 -0.236 -0.078 0.318 270 F C -2.785 172.690 175.800 -0.542 0.000 1.141 270 F CA -1.952 55.955 58.000 -0.155 0.000 0.950 270 F CB 2.808 41.700 39.000 -0.179 0.000 1.374 270 F HN 0.157 8.381 8.300 -0.126 0.000 0.477 271 G N -3.122 104.995 108.800 -1.139 0.000 2.335 271 G HA2 0.377 4.084 3.960 -0.419 0.000 0.291 271 G HA3 0.377 3.961 3.960 -0.792 -0.099 0.291 271 G C -2.548 171.961 174.900 -0.652 0.000 1.261 271 G CA 0.644 45.229 45.100 -0.858 0.000 0.871 271 G HN -0.143 7.455 8.290 -1.154 0.000 0.491 272 G N -3.150 105.609 108.800 -0.068 0.000 2.350 272 G HA2 0.030 4.388 3.960 0.372 0.000 0.276 272 G HA3 0.030 4.191 3.960 0.109 -0.136 0.276 272 G C -2.344 172.735 174.900 0.298 0.000 1.313 272 G CA 0.319 45.540 45.100 0.202 0.000 0.903 272 G HN -0.189 8.143 8.290 0.071 0.000 0.490 273 S N -0.048 115.783 115.700 0.218 0.000 2.576 273 S HA 0.152 4.675 4.470 -0.179 -0.160 0.272 273 S C 1.910 176.511 174.600 0.003 0.000 1.352 273 S CA -0.455 57.737 58.200 -0.013 0.000 1.021 273 S CB 1.595 64.757 63.200 -0.064 0.000 0.887 273 S HN -0.163 8.173 8.310 0.223 0.108 0.542 274 V N 2.860 122.751 119.914 -0.037 0.000 2.332 274 V HA -0.493 3.650 4.120 0.039 0.000 0.248 274 V C 1.617 177.731 176.094 0.032 0.000 1.055 274 V CA 4.931 67.245 62.300 0.023 0.000 1.038 274 V CB -0.406 31.448 31.823 0.051 0.000 0.651 274 V HN -0.102 8.031 8.190 -0.095 0.000 0.450 275 Q N -0.550 119.257 119.800 0.011 0.000 2.050 275 Q HA -0.425 3.927 4.340 0.019 0.000 0.202 275 Q C 2.197 178.209 176.000 0.020 0.000 0.980 275 Q CA 3.523 59.336 55.803 0.016 0.000 0.840 275 Q CB -0.394 28.351 28.738 0.011 0.000 0.898 275 Q HN 0.224 8.489 8.270 -0.007 0.000 0.424 276 E N -0.791 119.427 120.200 0.029 0.000 2.106 276 E HA -0.235 4.136 4.350 0.036 0.000 0.192 276 E C 2.608 179.207 176.600 -0.002 0.000 0.984 276 E CA 2.335 58.756 56.400 0.034 0.000 0.806 276 E CB -0.097 29.643 29.700 0.067 0.000 0.750 276 E HN -0.622 7.757 8.360 0.032 0.000 0.458 277 V N 0.575 120.497 119.914 0.013 0.000 2.427 277 V HA -0.524 3.594 4.120 -0.003 0.000 0.248 277 V C 1.480 177.571 176.094 -0.004 0.000 1.051 277 V CA 4.697 67.005 62.300 0.014 0.000 1.048 277 V CB -0.379 31.472 31.823 0.046 0.000 0.666 277 V HN -0.043 8.163 8.190 0.028 0.000 0.456 278 Q N 0.332 120.142 119.800 0.016 0.000 2.084 278 Q HA -0.339 4.017 4.340 0.027 0.000 0.202 278 Q C 2.475 178.443 176.000 -0.054 0.000 0.978 278 Q CA 3.474 59.281 55.803 0.007 0.000 0.844 278 Q CB -0.141 28.610 28.738 0.023 0.000 0.898 278 Q HN 0.103 8.391 8.270 0.030 0.000 0.426 279 R N -1.008 119.452 120.500 -0.068 0.000 2.073 279 R HA -0.346 3.952 4.340 -0.070 0.000 0.234 279 R C 2.443 178.560 176.300 -0.306 0.000 1.134 279 R CA 3.674 59.713 56.100 -0.102 0.000 0.952 279 R CB -0.097 30.189 30.300 -0.024 0.000 0.850 279 R HN -0.559 7.686 8.270 -0.042 0.000 0.433 280 L N -0.708 120.218 121.223 -0.494 0.000 2.017 280 L HA -0.287 2.804 4.340 -2.081 0.000 0.208 280 L C 1.324 177.799 176.870 -0.658 0.000 1.073 280 L CA 3.576 57.769 54.840 -1.077 0.000 0.745 280 L CB 0.004 41.566 42.059 -0.827 0.000 0.894 280 L HN -0.198 7.833 8.230 -0.332 0.000 0.432 281 T N -3.295 111.065 114.554 -0.324 0.000 2.857 281 T HA -0.348 3.867 4.350 -0.226 0.000 0.266 281 T C 1.974 176.602 174.700 -0.121 0.000 1.048 281 T CA 3.080 65.071 62.100 -0.183 0.000 1.139 281 T CB -0.191 68.651 68.868 -0.043 0.000 0.874 281 T HN -0.050 8.047 8.240 -0.239 0.000 0.455 282 R N 2.598 123.038 120.500 -0.101 0.000 2.073 282 R HA -0.367 3.995 4.340 0.037 0.000 0.234 282 R C 1.657 177.920 176.300 -0.062 0.000 1.134 282 R CA 3.656 59.736 56.100 -0.033 0.000 0.952 282 R CB -0.052 30.231 30.300 -0.029 0.000 0.850 282 R HN -0.235 7.966 8.270 -0.115 0.000 0.433 283 A N -1.100 121.640 122.820 -0.134 0.000 1.902 283 A HA -0.282 4.018 4.320 -0.033 0.000 0.217 283 A C 1.898 179.432 177.584 -0.083 0.000 1.181 283 A CA 3.137 55.125 52.037 -0.081 0.000 0.623 283 A CB -0.750 18.233 19.000 -0.027 0.000 0.818 283 A HN -0.171 7.858 8.150 -0.201 0.000 0.443 284 C N -2.547 116.658 119.300 -0.157 0.000 2.446 284 C HA -0.423 3.992 4.460 -0.075 0.000 0.277 284 C C 1.569 176.469 174.990 -0.150 0.000 1.275 284 C CA 5.467 64.405 59.018 -0.133 0.000 1.727 284 C CB -0.804 26.834 27.740 -0.171 0.000 2.010 284 C HN -0.269 7.813 8.230 -0.247 0.000 0.486 285 H N 1.377 120.332 119.070 -0.191 0.000 2.321 285 H HA -0.471 3.967 4.556 -0.196 0.000 0.300 285 H C 1.970 177.203 175.328 -0.158 0.000 1.087 285 H CA 3.602 59.546 56.048 -0.173 0.000 1.319 285 H CB 0.222 29.907 29.762 -0.127 0.000 1.379 285 H HN -0.210 8.079 8.280 0.014 0.000 0.501 286 Q N -1.961 117.675 119.800 -0.274 0.000 2.119 286 Q HA -0.277 3.798 4.340 -0.442 0.000 0.201 286 Q C 2.233 178.110 176.000 -0.206 0.000 0.972 286 Q CA 2.972 58.597 55.803 -0.297 0.000 0.847 286 Q CB 0.014 28.653 28.738 -0.164 0.000 0.903 286 Q HN 0.025 8.206 8.270 -0.149 0.000 0.433 287 A N -0.264 122.469 122.820 -0.145 0.000 1.930 287 A HA -0.314 3.990 4.320 -0.026 0.000 0.217 287 A C 1.831 179.314 177.584 -0.168 0.000 1.175 287 A CA 3.128 55.120 52.037 -0.075 0.000 0.627 287 A CB -0.586 18.454 19.000 0.066 0.000 0.815 287 A HN -0.138 7.935 8.150 -0.129 0.000 0.443 288 M N -2.050 117.317 119.600 -0.389 0.000 2.175 288 M HA -0.476 3.781 4.480 -0.371 0.000 0.264 288 M C 2.108 178.296 176.300 -0.186 0.000 1.063 288 M CA 4.324 59.405 55.300 -0.364 0.000 1.119 288 M CB 0.060 32.442 32.600 -0.363 0.000 1.377 288 M HN -0.331 7.713 8.290 -0.410 0.000 0.415 289 M N -0.534 118.929 119.600 -0.229 0.000 2.175 289 M HA -0.236 4.134 4.480 -0.183 0.000 0.264 289 M C 2.760 178.981 176.300 -0.132 0.000 1.063 289 M CA 2.769 57.947 55.300 -0.204 0.000 1.119 289 M CB -0.984 31.439 32.600 -0.295 0.000 1.377 289 M HN -0.344 7.771 8.290 -0.291 0.000 0.415 290 V N 1.120 120.970 119.914 -0.107 0.000 2.287 290 V HA -0.625 3.458 4.120 -0.061 0.000 0.248 290 V C 1.810 177.888 176.094 -0.026 0.000 1.053 290 V CA 4.471 66.737 62.300 -0.056 0.000 1.027 290 V CB -0.438 31.366 31.823 -0.031 0.000 0.646 290 V HN -0.398 7.718 8.190 -0.123 0.000 0.447 291 D N -0.978 119.424 120.400 0.004 0.000 2.123 291 D HA -0.310 4.357 4.640 0.045 0.000 0.196 291 D C 2.587 178.894 176.300 0.012 0.000 0.992 291 D CA 3.496 57.522 54.000 0.042 0.000 0.833 291 D CB -0.542 40.333 40.800 0.125 0.000 0.954 291 D HN -0.480 7.894 8.370 0.006 0.000 0.455 292 Q N 0.678 120.460 119.800 -0.030 0.000 2.096 292 Q HA -0.369 3.944 4.340 -0.045 0.000 0.204 292 Q C 2.738 178.702 176.000 -0.060 0.000 0.982 292 Q CA 3.075 58.839 55.803 -0.065 0.000 0.850 292 Q CB -0.029 28.628 28.738 -0.135 0.000 0.901 292 Q HN -0.214 8.027 8.270 -0.048 0.000 0.422 293 A N -0.323 122.460 122.820 -0.061 0.000 1.978 293 A HA -0.216 4.069 4.320 -0.058 0.000 0.220 293 A C 1.575 179.140 177.584 -0.031 0.000 1.170 293 A CA 2.658 54.664 52.037 -0.052 0.000 0.636 293 A CB -0.665 18.303 19.000 -0.054 0.000 0.810 293 A HN -0.148 7.962 8.150 -0.068 0.000 0.448 294 N N -3.063 115.625 118.700 -0.019 0.000 2.322 294 N HA 0.030 4.763 4.740 -0.012 0.000 0.194 294 N C -0.034 175.478 175.510 0.004 0.000 1.126 294 N CA -0.618 52.428 53.050 -0.008 0.000 0.845 294 N CB -0.074 38.411 38.487 -0.004 0.000 0.976 294 N HN -0.436 7.816 8.380 -0.017 0.117 0.475 295 G N 0.014 108.819 108.800 0.009 0.000 2.273 295 G HA2 -0.467 3.513 3.960 0.034 0.000 0.280 295 G HA3 -0.467 3.508 3.960 0.025 0.000 0.280 295 G C -1.192 173.740 174.900 0.052 0.000 1.047 295 G CA 0.885 46.003 45.100 0.030 0.000 0.869 295 G HN -0.338 7.768 8.290 -0.002 0.183 0.502 296 I N -1.099 119.508 120.570 0.062 0.000 2.582 296 I HA 0.211 4.427 4.170 0.076 0.000 0.292 296 I C -2.415 173.777 176.117 0.126 0.000 1.066 296 I CA -1.371 59.974 61.300 0.076 0.000 1.053 296 I CB 2.355 40.381 38.000 0.044 0.000 1.241 296 I HN -0.433 7.809 8.210 0.054 0.000 0.421 297 E N 8.024 128.315 120.200 0.150 0.000 2.165 297 E HA 0.186 4.685 4.350 0.249 0.000 0.266 297 E C -1.160 175.498 176.600 0.096 0.000 0.889 297 E CA -1.654 54.874 56.400 0.213 0.000 0.756 297 E CB 1.975 31.881 29.700 0.344 0.000 1.131 297 E HN 0.158 8.590 8.360 0.120 0.000 0.411 298 A N 6.672 129.559 122.820 0.111 0.000 2.483 298 A HA 0.004 4.491 4.320 -0.036 -0.189 0.238 298 A C 1.111 178.566 177.584 -0.215 0.000 1.070 298 A CA 0.196 52.217 52.037 -0.026 0.000 0.770 298 A CB 0.620 19.590 19.000 -0.050 0.000 1.008 298 A HN 0.558 8.840 8.150 0.220 0.000 0.497 299 V N 1.964 121.731 119.914 -0.244 0.000 2.324 299 V HA -0.345 3.471 4.120 -0.506 0.000 0.250 299 V C 0.273 175.819 176.094 -0.914 0.000 1.060 299 V CA 3.013 65.017 62.300 -0.493 0.000 1.042 299 V CB 0.558 32.180 31.823 -0.335 0.000 0.650 299 V HN 0.349 8.719 8.190 -0.145 -0.267 0.450 300 W N -3.038 118.118 121.300 -0.241 0.000 2.570 300 W HA 0.208 4.702 4.660 -0.276 0.000 0.410 300 W C -1.407 175.064 176.519 -0.079 0.000 0.889 300 W CA -1.006 56.235 57.345 -0.172 0.000 2.386 300 W CB -0.356 29.150 29.460 0.076 0.000 1.228 300 W HN -0.371 7.766 8.180 -0.071 0.000 0.692 301 H N -2.089 117.121 119.070 0.234 0.000 1.452 301 H HA -0.529 4.172 4.556 0.241 0.000 0.090 301 H C 1.367 176.875 175.328 0.301 0.000 1.168 301 H CA 2.308 58.502 56.048 0.244 0.000 1.901 301 H CB -2.104 27.779 29.762 0.200 0.000 2.257 301 H HN -0.304 7.529 8.280 -0.452 0.175 0.961 302 D N 1.248 121.865 120.400 0.362 0.000 2.263 302 D HA -0.286 4.531 4.640 0.294 0.000 0.208 302 D C 1.558 177.968 176.300 0.183 0.000 0.971 302 D CA 2.646 56.785 54.000 0.231 0.000 0.867 302 D CB -0.937 39.909 40.800 0.076 0.000 0.929 302 D HN 0.374 8.957 8.370 0.356 0.000 0.492 303 E N 0.102 120.432 120.200 0.217 0.000 2.110 303 E HA -0.423 3.972 4.350 0.074 0.000 0.193 303 E C 1.750 178.416 176.600 0.110 0.000 0.988 303 E CA 3.176 59.666 56.400 0.150 0.000 0.804 303 E CB -0.330 29.504 29.700 0.223 0.000 0.745 303 E HN -0.544 7.967 8.360 0.283 0.019 0.458 304 S N -0.916 114.887 115.700 0.172 0.000 2.368 304 S HA -0.283 4.265 4.470 0.131 0.000 0.225 304 S C 1.909 176.464 174.600 -0.074 0.000 1.030 304 S CA 3.494 61.734 58.200 0.066 0.000 0.999 304 S CB -0.547 62.653 63.200 0.000 0.000 0.844 304 S HN -0.627 7.822 8.310 0.232 0.000 0.459 305 H N 1.523 120.616 119.070 0.040 0.000 2.389 305 H HA -0.186 4.381 4.556 0.019 0.000 0.299 305 H C 2.353 177.663 175.328 -0.030 0.000 1.081 305 H CA 3.213 59.265 56.048 0.006 0.000 1.345 305 H CB 0.178 29.939 29.762 -0.001 0.000 1.393 305 H HN -0.900 7.474 8.280 0.156 0.000 0.520 306 L N 1.098 122.332 121.223 0.018 0.000 2.042 306 L HA -0.308 3.930 4.340 -0.169 0.000 0.210 306 L C 1.426 178.272 176.870 -0.041 0.000 1.076 306 L CA 3.077 57.846 54.840 -0.118 0.000 0.749 306 L CB -0.225 41.685 42.059 -0.247 0.000 0.893 306 L HN 0.211 8.462 8.230 0.034 0.000 0.432 307 N N -1.768 116.915 118.700 -0.029 0.000 2.166 307 N HA -0.357 4.452 4.740 0.115 0.000 0.186 307 N C 2.147 177.617 175.510 -0.066 0.000 1.019 307 N CA 3.796 56.847 53.050 0.001 0.000 0.856 307 N CB -0.094 38.374 38.487 -0.031 0.000 0.993 307 N HN -0.341 8.016 8.380 -0.038 0.000 0.426 308 K N 0.582 120.929 120.400 -0.088 0.000 2.057 308 K HA -0.273 3.932 4.320 -0.192 0.000 0.207 308 K C 1.759 178.357 176.600 -0.004 0.000 1.049 308 K CA 2.009 58.237 56.287 -0.098 0.000 0.931 308 K CB -0.494 31.965 32.500 -0.067 0.000 0.714 308 K HN -0.615 7.592 8.250 -0.071 0.000 0.440 309 Y N -0.046 120.227 120.300 -0.045 0.000 2.145 309 Y HA -0.344 4.271 4.550 0.109 0.000 0.286 309 Y C 1.970 177.890 175.900 0.033 0.000 1.145 309 Y CA 3.863 61.968 58.100 0.009 0.000 1.148 309 Y CB 0.310 38.702 38.460 -0.114 0.000 0.981 309 Y HN -0.426 7.960 8.280 0.177 0.000 0.507 310 L N -3.220 118.015 121.223 0.021 0.000 2.376 310 L HA -0.189 4.265 4.340 -0.124 -0.188 0.219 310 L C 2.211 179.032 176.870 -0.082 0.000 1.133 310 L CA 1.549 56.328 54.840 -0.102 0.000 0.816 310 L CB -0.374 41.474 42.059 -0.351 0.000 0.933 310 L HN -0.243 8.022 8.230 0.058 0.000 0.449 311 L N 0.360 121.547 121.223 -0.059 0.000 2.027 311 L HA -0.183 4.116 4.340 -0.069 0.000 0.206 311 L C 1.598 178.318 176.870 -0.251 0.000 1.074 311 L CA 2.841 57.609 54.840 -0.121 0.000 0.745 311 L CB -0.153 41.811 42.059 -0.158 0.000 0.898 311 L HN -0.359 7.842 8.230 -0.048 0.000 0.433 312 R N -3.177 117.149 120.500 -0.291 0.000 2.200 312 R HA -0.066 4.036 4.340 -0.397 0.000 0.208 312 R C 0.352 176.201 176.300 -0.752 0.000 1.033 312 R CA 0.719 56.537 56.100 -0.470 0.000 1.000 312 R CB 0.015 30.029 30.300 -0.476 0.000 0.906 312 R HN -0.662 7.465 8.270 -0.239 0.000 0.462 313 H N -1.412 117.362 119.070 -0.494 0.000 2.854 313 H HA 0.120 4.447 4.556 -0.381 0.000 0.275 313 H C -1.716 173.385 175.328 -0.379 0.000 1.198 313 H CA -1.636 54.125 56.048 -0.478 0.000 1.489 313 H CB 0.915 30.219 29.762 -0.763 0.000 1.519 313 H HN -0.412 7.650 8.280 -0.363 0.000 0.503 314 K N 5.709 125.902 120.400 -0.345 0.000 2.401 314 K HA 0.182 4.360 4.320 -0.493 -0.153 0.278 314 K C -1.293 175.233 176.600 -0.123 0.000 1.018 314 K CA -2.626 53.356 56.287 -0.508 0.000 0.981 314 K CB -0.572 31.165 32.500 -1.272 0.000 0.933 314 K HN 0.176 8.200 8.250 -0.377 0.000 0.477 315 P HA 0.206 4.712 4.420 0.145 0.000 0.274 315 P C 0.081 177.625 177.300 0.407 0.000 1.231 315 P CA -0.382 62.851 63.100 0.221 0.000 0.790 315 P CB 1.517 33.330 31.700 0.187 0.000 0.951 316 T N -3.858 110.872 114.554 0.293 0.000 3.100 316 T HA -0.028 4.526 4.350 0.340 0.000 0.253 316 T C 0.203 175.034 174.700 0.218 0.000 1.118 316 T CA 0.798 63.065 62.100 0.278 0.000 1.058 316 T CB 0.292 69.286 68.868 0.211 0.000 0.953 316 T HN 0.287 8.671 8.240 0.240 0.000 0.515 317 K N -0.555 119.968 120.400 0.206 0.000 2.508 317 K HA 0.572 5.076 4.320 0.076 -0.138 0.260 317 K C -2.584 174.091 176.600 0.125 0.000 0.949 317 K CA -0.892 55.454 56.287 0.098 0.000 0.834 317 K CB 4.929 37.407 32.500 -0.037 0.000 1.365 317 K HN -0.792 7.603 8.250 0.241 0.000 0.437 318 V N 0.861 120.784 119.914 0.016 0.000 2.487 318 V HA 0.586 4.940 4.120 0.083 -0.184 0.298 318 V C -1.429 174.523 176.094 -0.237 0.000 1.028 318 V CA -1.854 60.434 62.300 -0.019 0.000 0.860 318 V CB 2.892 34.693 31.823 -0.036 0.000 0.991 318 V HN 0.228 8.396 8.190 -0.038 0.000 0.427 319 L N 6.258 127.295 121.223 -0.310 0.000 2.326 319 L HA 0.237 4.200 4.340 -0.627 0.000 0.278 319 L C -0.397 176.206 176.870 -0.445 0.000 1.092 319 L CA -0.965 53.548 54.840 -0.544 0.000 0.810 319 L CB 0.149 41.703 42.059 -0.841 0.000 1.153 319 L HN 0.541 8.653 8.230 -0.197 0.000 0.439 320 S N 3.207 118.561 115.700 -0.577 0.000 2.608 320 S HA 0.233 4.163 4.470 -0.900 0.000 0.261 320 S C -0.585 173.767 174.600 -0.413 0.000 1.314 320 S CA -1.593 56.080 58.200 -0.879 0.000 0.992 320 S CB -0.332 61.711 63.200 -1.928 0.000 0.935 320 S HN -0.104 7.868 8.310 -0.563 0.000 0.564 321 P HA 0.055 4.504 4.420 0.047 0.000 0.234 321 P C 1.040 178.293 177.300 -0.078 0.000 1.167 321 P CA 1.262 64.316 63.100 -0.075 0.000 0.763 321 P CB -0.114 31.589 31.700 0.004 0.000 0.835 322 E N 0.186 120.227 120.200 -0.265 0.000 2.187 322 E HA -0.333 3.773 4.350 -0.407 0.000 0.199 322 E C 1.530 177.969 176.600 -0.269 0.000 1.004 322 E CA 3.174 59.376 56.400 -0.330 0.000 0.813 322 E CB -0.469 29.007 29.700 -0.373 0.000 0.736 322 E HN -0.524 7.590 8.360 -0.352 0.035 0.468 323 Y N -5.070 115.196 120.300 -0.057 0.000 2.490 323 Y HA -0.077 4.583 4.550 0.184 0.000 0.281 323 Y C -0.378 175.722 175.900 0.334 0.000 1.174 323 Y CA 1.456 59.606 58.100 0.084 0.000 1.295 323 Y CB 0.671 38.992 38.460 -0.231 0.000 1.062 323 Y HN -0.556 7.766 8.280 0.119 0.029 0.522 324 L N -0.470 120.954 121.223 0.337 0.000 2.666 324 L HA 0.267 4.916 4.340 0.355 -0.096 0.258 324 L C -2.425 174.582 176.870 0.229 0.000 0.991 324 L CA 0.169 55.198 54.840 0.315 0.000 0.916 324 L CB 2.532 44.767 42.059 0.293 0.000 1.199 324 L HN -0.544 7.667 8.230 0.249 0.168 0.439 325 W N 6.143 127.371 121.300 -0.118 0.000 3.029 325 W HA 0.239 4.828 4.660 -0.118 0.000 0.339 325 W C -2.768 173.649 176.519 -0.170 0.000 1.198 325 W CA -1.177 56.078 57.345 -0.150 0.000 1.148 325 W CB 4.556 33.899 29.460 -0.196 0.000 1.451 325 W HN 0.076 8.315 8.180 0.098 0.000 0.564 326 D N 3.113 123.029 120.400 -0.806 0.000 2.402 326 D HA 0.165 4.636 4.640 -0.281 0.000 0.252 326 D C -0.884 175.133 176.300 -0.472 0.000 1.294 326 D CA -0.897 52.812 54.000 -0.484 0.000 0.948 326 D CB 2.079 42.635 40.800 -0.406 0.000 1.202 326 D HN 0.109 7.520 8.370 -1.598 0.000 0.561 327 Q N 7.397 127.143 119.800 -0.091 0.000 2.167 327 Q HA -0.321 4.352 4.340 0.282 -0.164 0.202 327 Q C 1.904 177.931 176.000 0.045 0.000 0.970 327 Q CA 2.977 58.850 55.803 0.117 0.000 0.855 327 Q CB 0.537 29.371 28.738 0.160 0.000 0.911 327 Q HN 0.626 8.882 8.270 -0.022 0.000 0.438 328 Q N 0.419 120.209 119.800 -0.016 0.000 2.084 328 Q HA -0.224 4.130 4.340 0.024 0.000 0.202 328 Q C 1.623 177.605 176.000 -0.030 0.000 0.978 328 Q CA 2.869 58.668 55.803 -0.007 0.000 0.844 328 Q CB -0.162 28.566 28.738 -0.017 0.000 0.898 328 Q HN -0.369 7.983 8.270 -0.041 -0.107 0.426 329 L N -3.155 118.010 121.223 -0.097 0.000 2.270 329 L HA -0.154 4.142 4.340 -0.073 0.000 0.210 329 L C 1.238 178.041 176.870 -0.111 0.000 1.104 329 L CA 1.839 56.611 54.840 -0.114 0.000 0.804 329 L CB 1.047 43.007 42.059 -0.165 0.000 0.937 329 L HN -0.573 7.830 8.230 -0.142 -0.259 0.450 330 L N -6.228 114.918 121.223 -0.128 0.000 3.217 330 L HA 0.193 4.522 4.340 -0.017 0.000 0.288 330 L C 0.175 177.195 176.870 0.249 0.000 1.202 330 L CA -0.533 54.278 54.840 -0.049 0.000 1.027 330 L CB 1.836 43.630 42.059 -0.442 0.000 1.427 330 L HN -0.545 7.603 8.230 -0.138 0.000 0.600 331 G N 0.579 109.535 108.800 0.260 0.000 2.539 331 G HA2 -0.376 3.808 3.960 0.291 0.000 0.256 331 G HA3 -0.376 3.769 3.960 0.310 0.000 0.256 331 G C -2.848 172.385 174.900 0.555 0.000 1.233 331 G CA 0.240 45.551 45.100 0.351 0.000 0.936 331 G HN -0.097 8.197 8.290 0.170 0.099 0.571 332 W N 1.744 123.181 121.300 0.228 0.000 2.387 332 W HA 0.485 5.174 4.660 0.047 0.000 0.285 332 W C -2.429 174.116 176.519 0.043 0.000 1.011 332 W CA -3.738 53.662 57.345 0.091 0.000 1.576 332 W CB 0.059 29.537 29.460 0.029 0.000 1.540 332 W HN 0.023 8.476 8.180 0.455 0.000 0.383 333 P HA 0.077 4.636 4.420 0.231 0.000 0.272 333 P C 0.115 177.535 177.300 0.201 0.000 1.230 333 P CA -0.355 62.903 63.100 0.264 0.000 0.788 333 P CB 0.572 32.442 31.700 0.284 0.000 0.949 334 A N 2.797 125.679 122.820 0.103 0.000 1.972 334 A HA -0.221 4.098 4.320 -0.002 0.000 0.219 334 A C 1.127 178.731 177.584 0.033 0.000 1.169 334 A CA 2.518 54.575 52.037 0.034 0.000 0.635 334 A CB -0.362 18.640 19.000 0.004 0.000 0.810 334 A HN 0.283 8.493 8.150 0.099 0.000 0.446 335 V N -3.710 116.232 119.914 0.048 0.000 3.141 335 V HA -0.111 3.971 4.120 -0.063 0.000 0.265 335 V C -0.788 175.320 176.094 0.023 0.000 1.126 335 V CA 0.345 62.640 62.300 -0.009 0.000 1.141 335 V CB 0.289 32.117 31.823 0.008 0.000 0.743 335 V HN -0.297 7.922 8.190 0.083 0.021 0.492 336 L N -0.190 121.058 121.223 0.042 0.000 2.270 336 L HA 0.259 4.621 4.340 0.036 0.000 0.286 336 L C -0.312 176.673 176.870 0.191 0.000 1.059 336 L CA -0.965 53.878 54.840 0.005 0.000 0.839 336 L CB -1.182 40.653 42.059 -0.374 0.000 1.221 336 L HN -0.505 7.724 8.230 0.062 0.039 0.431 337 R N 2.677 123.260 120.500 0.139 0.000 2.153 337 R HA -0.151 4.278 4.340 0.148 0.000 0.218 337 R C -0.385 176.052 176.300 0.228 0.000 1.072 337 R CA 2.342 58.532 56.100 0.150 0.000 0.990 337 R CB 0.527 30.863 30.300 0.059 0.000 0.889 337 R HN 0.318 8.658 8.270 0.116 0.000 0.452 338 K N -2.874 117.593 120.400 0.112 0.000 2.464 338 K HA 0.140 4.556 4.320 0.161 0.000 0.253 338 K C -2.454 173.974 176.600 -0.287 0.000 0.933 338 K CA -1.327 54.969 56.287 0.015 0.000 0.801 338 K CB 3.638 36.122 32.500 -0.027 0.000 1.271 338 K HN -0.711 7.542 8.250 0.040 0.020 0.430 339 L N 2.586 123.520 121.223 -0.482 0.000 2.295 339 L HA 0.143 4.118 4.340 -0.608 0.000 0.281 339 L C -0.321 176.343 176.870 -0.344 0.000 1.018 339 L CA -0.546 53.927 54.840 -0.612 0.000 0.841 339 L CB -0.320 41.160 42.059 -0.965 0.000 1.218 339 L HN 0.407 8.384 8.230 -0.421 0.000 0.424 340 R N 0.233 120.576 120.500 -0.262 0.000 2.123 340 R HA 0.120 4.434 4.340 -0.156 -0.068 0.209 340 R C -0.239 176.080 176.300 0.032 0.000 1.078 340 R CA 1.935 57.943 56.100 -0.153 0.000 1.028 340 R CB 2.236 32.361 30.300 -0.291 0.000 0.939 340 R HN 0.367 8.466 8.270 -0.286 0.000 0.463 341 F N -0.339 119.517 119.950 -0.157 0.000 2.671 341 F HA 0.688 5.186 4.527 -0.356 -0.185 0.332 341 F C -2.545 173.184 175.800 -0.119 0.000 1.189 341 F CA -1.538 56.327 58.000 -0.224 0.000 0.988 341 F CB 3.177 42.072 39.000 -0.175 0.000 1.258 341 F HN -0.834 7.513 8.300 0.078 0.000 0.471 342 T N 2.700 116.989 114.554 -0.442 0.000 2.906 342 T HA 0.740 5.159 4.350 -0.211 -0.196 0.295 342 T C -1.220 173.250 174.700 -0.383 0.000 1.075 342 T CA -2.739 59.184 62.100 -0.295 0.000 1.005 342 T CB 3.665 72.459 68.868 -0.124 0.000 1.136 342 T HN 0.497 8.430 8.240 -0.513 0.000 0.498 343 A N 1.975 124.629 122.820 -0.276 0.000 2.483 343 A HA 0.060 4.206 4.320 -0.291 0.000 0.238 343 A C -0.820 176.683 177.584 -0.136 0.000 1.070 343 A CA 0.037 51.934 52.037 -0.234 0.000 0.770 343 A CB 0.567 19.453 19.000 -0.191 0.000 1.008 343 A HN 0.184 8.194 8.150 -0.233 0.000 0.497 344 V N 4.190 124.052 119.914 -0.087 0.000 2.432 344 V HA 0.098 4.234 4.120 0.025 0.000 0.271 344 V C -1.298 174.830 176.094 0.055 0.000 1.046 344 V CA -2.189 60.133 62.300 0.037 0.000 0.945 344 V CB 0.176 32.119 31.823 0.200 0.000 0.992 344 V HN -0.415 7.698 8.190 -0.127 0.000 0.471 345 P HA 0.000 4.548 4.420 0.016 -0.118 0.216 345 P CA 0.000 63.121 63.100 0.036 0.000 0.800 345 P CB 0.000 31.723 31.700 0.038 0.000 0.726