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 1ap8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSVEEVSKKF EENVSVDDTT ATPKTVLSDS AHFDVKHPLN TKWTLWYTKP DATA SEQUENCE AVDKSESWSD LLRPVTSFQT VEEFWAIIQN IPEPHELPLK SDYHVFRNDV DATA SEQUENCE RPEWEDEANA KGGKWSFQLR GKGADIDELW LRTLLAVIGE TIDEDDSQIN DATA SEQUENCE GVVLSIRKGG NKFALWTKSE DKEPLLRIGG KFKQVLKLTD DGHLEFFPHS DATA SEQUENCE SANGRHPQPS ITL 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 1 M HA 0.000 4.481 4.480 0.001 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 S N 3.480 119.180 115.700 0.001 0.000 2.461 2 S HA 0.313 4.784 4.470 0.001 0.000 0.322 2 S C -0.785 173.816 174.600 0.002 0.000 1.063 2 S CA -0.464 57.737 58.200 0.001 0.000 1.120 2 S CB 0.172 63.372 63.200 0.001 0.000 0.968 2 S HN -0.004 8.307 8.310 0.001 0.000 0.467 3 V N 2.157 122.072 119.914 0.001 0.000 2.709 3 V HA 0.302 4.423 4.120 0.002 0.000 0.308 3 V C -0.803 175.292 176.094 0.002 0.000 1.062 3 V CA -0.312 61.989 62.300 0.002 0.000 0.901 3 V CB 1.753 33.577 31.823 0.002 0.000 1.003 3 V HN 0.086 8.276 8.190 0.001 0.000 0.425 4 E N 3.696 123.898 120.200 0.002 0.000 2.304 4 E HA 0.254 4.605 4.350 0.001 0.000 0.277 4 E C -0.794 175.808 176.600 0.004 0.000 0.898 4 E CA -0.466 55.935 56.400 0.002 0.000 0.764 4 E CB 1.596 31.297 29.700 0.002 0.000 1.216 4 E HN 0.212 8.574 8.360 0.003 0.000 0.419 5 E N 2.227 122.430 120.200 0.004 0.000 2.563 5 E HA -0.128 4.225 4.350 0.006 0.000 0.260 5 E C -0.431 176.174 176.600 0.008 0.000 1.391 5 E CA 0.577 56.980 56.400 0.005 0.000 1.079 5 E CB 0.542 30.245 29.700 0.005 0.000 0.984 5 E HN 0.160 8.522 8.360 0.003 0.000 0.563 6 V N 1.304 121.224 119.914 0.010 0.000 2.464 6 V HA 0.110 4.239 4.120 0.014 0.000 0.255 6 V C -1.520 174.585 176.094 0.017 0.000 0.946 6 V CA 0.550 62.858 62.300 0.013 0.000 0.988 6 V CB -0.021 31.809 31.823 0.013 0.000 1.210 6 V HN 0.294 8.489 8.190 0.009 0.000 0.523 7 S N 4.888 120.599 115.700 0.018 0.000 2.979 7 S HA 0.132 4.616 4.470 0.023 0.000 0.243 7 S C -0.159 174.461 174.600 0.033 0.000 1.036 7 S CA -0.252 57.962 58.200 0.023 0.000 0.846 7 S CB 0.649 63.860 63.200 0.017 0.000 0.806 7 S HN -0.268 8.051 8.310 0.015 0.000 0.568 8 K N 1.865 122.281 120.400 0.026 0.000 7.415 8 K HA -0.152 4.173 4.320 0.010 0.000 0.652 8 K C -1.467 175.163 176.600 0.049 0.000 2.588 8 K CA 0.362 56.669 56.287 0.033 0.000 1.948 8 K CB 0.504 33.041 32.500 0.061 0.000 2.086 8 K HN -0.086 8.174 8.250 0.017 0.000 0.274 9 K N 5.019 125.435 120.400 0.028 0.000 2.499 9 K HA 0.172 4.535 4.320 0.071 0.000 0.215 9 K C -1.387 175.260 176.600 0.077 0.000 1.041 9 K CA -0.439 55.877 56.287 0.049 0.000 1.031 9 K CB -0.434 32.075 32.500 0.014 0.000 1.479 9 K HN 0.156 8.400 8.250 -0.010 0.000 0.518 10 F N 6.218 126.170 119.950 0.003 0.000 2.359 10 F HA 0.188 4.717 4.527 0.003 0.000 0.355 10 F C -0.670 175.131 175.800 0.003 0.000 1.132 10 F CA -1.377 56.625 58.000 0.003 0.000 1.246 10 F CB -0.415 38.587 39.000 0.003 0.000 1.569 10 F HN 0.267 8.725 8.300 0.264 0.000 0.561 11 E N 4.404 124.793 120.200 0.315 0.000 4.172 11 E HA -0.043 4.416 4.350 0.181 0.000 0.197 11 E C -1.177 175.504 176.600 0.134 0.000 1.088 11 E CA 0.646 57.158 56.400 0.187 0.000 1.461 11 E CB 0.846 30.612 29.700 0.110 0.000 1.180 11 E HN 0.154 8.642 8.360 0.214 0.000 0.419 12 E N 0.223 120.521 120.200 0.162 0.000 3.582 12 E HA 0.251 4.641 4.350 0.067 0.000 0.217 12 E C -1.593 175.066 176.600 0.097 0.000 1.092 12 E CA -1.065 55.390 56.400 0.092 0.000 1.365 12 E CB -0.226 29.506 29.700 0.052 0.000 1.278 12 E HN -0.073 8.447 8.360 0.267 0.000 0.439 13 N N 0.768 119.525 118.700 0.094 0.000 2.466 13 N HA -0.042 4.752 4.740 0.090 0.000 0.263 13 N C -0.343 175.196 175.510 0.048 0.000 1.178 13 N CA -0.131 52.963 53.050 0.074 0.000 0.983 13 N CB -0.499 38.021 38.487 0.054 0.000 1.331 13 N HN -0.001 8.434 8.380 0.091 0.000 0.500 14 V N -0.446 119.494 119.914 0.044 0.000 2.711 14 V HA 0.322 4.458 4.120 0.027 0.000 0.335 14 V C -0.474 175.636 176.094 0.026 0.000 1.235 14 V CA -0.925 61.393 62.300 0.030 0.000 1.250 14 V CB 0.732 32.572 31.823 0.028 0.000 1.469 14 V HN -0.410 7.810 8.190 0.051 0.000 0.646 15 S N 1.024 116.740 115.700 0.027 0.000 2.345 15 S HA -0.021 4.463 4.470 0.023 0.000 0.220 15 S C 0.802 175.412 174.600 0.017 0.000 1.031 15 S CA 2.598 60.812 58.200 0.023 0.000 0.996 15 S CB 0.470 63.684 63.200 0.023 0.000 0.882 15 S HN -0.153 8.174 8.310 0.030 0.000 0.445 16 V N -6.219 113.704 119.914 0.015 0.000 3.166 16 V HA 0.275 4.401 4.120 0.011 0.000 0.332 16 V C -1.434 174.667 176.094 0.012 0.000 1.434 16 V CA -0.682 61.625 62.300 0.012 0.000 1.121 16 V CB 0.120 31.949 31.823 0.010 0.000 1.062 16 V HN -0.521 7.679 8.190 0.016 0.000 0.489 17 D N 2.116 122.524 120.400 0.014 0.000 2.722 17 D HA 0.120 4.766 4.640 0.011 0.000 0.239 17 D C -1.172 175.136 176.300 0.013 0.000 1.249 17 D CA -0.699 53.309 54.000 0.013 0.000 0.830 17 D CB -0.768 40.041 40.800 0.015 0.000 1.025 17 D HN -0.362 7.960 8.370 0.016 0.057 0.486 18 D N -2.705 117.703 120.400 0.013 0.000 10.869 18 D HA -0.284 4.363 4.640 0.012 0.000 0.365 18 D C -0.631 175.678 176.300 0.014 0.000 3.075 18 D CA 1.634 55.642 54.000 0.013 0.000 2.532 18 D CB 0.807 41.614 40.800 0.012 0.000 1.131 18 D HN -0.232 8.059 8.370 0.012 0.086 0.972 19 T N 2.548 117.111 114.554 0.014 0.000 3.455 19 T HA 0.031 4.391 4.350 0.016 0.000 0.286 19 T C 0.048 174.757 174.700 0.015 0.000 1.157 19 T CA 0.288 62.397 62.100 0.015 0.000 1.090 19 T CB -0.714 68.163 68.868 0.015 0.000 1.112 19 T HN 0.316 8.565 8.240 0.014 0.000 0.779 20 T N 4.245 118.809 114.554 0.016 0.000 3.025 20 T HA -0.257 4.102 4.350 0.014 0.000 0.270 20 T C 0.410 175.119 174.700 0.015 0.000 1.126 20 T CA 1.693 63.802 62.100 0.015 0.000 1.105 20 T CB -0.144 68.734 68.868 0.016 0.000 0.884 20 T HN -0.522 7.729 8.240 0.017 0.000 0.522 21 A N 0.541 123.370 122.820 0.015 0.000 3.004 21 A HA -0.013 4.315 4.320 0.013 0.000 0.252 21 A C -0.430 177.161 177.584 0.013 0.000 1.802 21 A CA -0.047 51.998 52.037 0.013 0.000 1.424 21 A CB -1.787 17.220 19.000 0.013 0.000 1.005 21 A HN 0.098 8.187 8.150 0.016 0.069 0.631 22 T N 1.698 116.260 114.554 0.013 0.000 2.706 22 T HA -0.040 4.319 4.350 0.014 0.000 0.255 22 T C 0.209 174.916 174.700 0.012 0.000 1.048 22 T CA 2.390 64.498 62.100 0.013 0.000 1.153 22 T CB -1.536 67.339 68.868 0.013 0.000 0.865 22 T HN 0.032 8.203 8.240 0.013 0.077 0.414 23 P HA -0.015 4.410 4.420 0.009 0.000 0.233 23 P C -1.212 176.093 177.300 0.008 0.000 1.167 23 P CA 0.539 63.645 63.100 0.009 0.000 0.770 23 P CB 0.249 31.954 31.700 0.009 0.000 0.837 24 K N -0.400 120.005 120.400 0.009 0.000 2.419 24 K HA 0.216 4.540 4.320 0.006 0.000 0.244 24 K C -1.234 175.371 176.600 0.007 0.000 1.045 24 K CA -0.757 55.534 56.287 0.007 0.000 1.004 24 K CB -0.185 32.320 32.500 0.007 0.000 1.376 24 K HN -0.154 7.951 8.250 0.010 0.151 0.460 25 T N 1.313 115.871 114.554 0.007 0.000 2.924 25 T HA 0.135 4.490 4.350 0.008 0.000 0.291 25 T C 0.923 175.627 174.700 0.006 0.000 1.045 25 T CA -1.672 60.433 62.100 0.008 0.000 1.015 25 T CB 1.462 70.337 68.868 0.011 0.000 1.103 25 T HN -0.058 8.186 8.240 0.006 0.000 0.496 26 V N 3.720 123.638 119.914 0.006 0.000 3.506 26 V HA 0.107 4.228 4.120 0.001 0.000 0.263 26 V C -0.067 176.030 176.094 0.006 0.000 1.203 26 V CA 0.727 63.029 62.300 0.004 0.000 1.133 26 V CB 0.257 32.081 31.823 0.003 0.000 0.802 26 V HN 0.340 8.535 8.190 0.008 0.000 0.459 27 L N -0.332 120.896 121.223 0.008 0.000 2.722 27 L HA 0.175 4.518 4.340 0.005 0.000 0.244 27 L C -0.998 175.878 176.870 0.010 0.000 1.023 27 L CA 1.052 55.896 54.840 0.008 0.000 0.988 27 L CB 1.554 43.619 42.059 0.010 0.000 1.245 27 L HN -0.684 7.512 8.230 0.010 0.040 0.508 28 S N 4.227 119.931 115.700 0.007 0.000 4.175 28 S HA 0.006 4.485 4.470 0.015 0.000 0.193 28 S C -0.797 173.803 174.600 0.001 0.000 1.373 28 S CA 0.296 58.501 58.200 0.009 0.000 0.908 28 S CB -0.566 62.639 63.200 0.008 0.000 1.547 28 S HN 0.211 8.524 8.310 0.006 0.000 0.440 29 D N 2.557 122.954 120.400 -0.005 0.000 2.879 29 D HA 0.208 4.830 4.640 -0.030 0.000 0.236 29 D C -1.366 174.892 176.300 -0.069 0.000 1.171 29 D CA 0.260 54.240 54.000 -0.032 0.000 0.868 29 D CB 2.244 43.025 40.800 -0.032 0.000 1.598 29 D HN -0.215 8.101 8.370 0.003 0.056 0.497 30 S N 5.824 121.445 115.700 -0.131 0.000 2.708 30 S HA 0.122 4.261 4.470 -0.552 0.000 0.141 30 S C -0.234 174.093 174.600 -0.455 0.000 1.349 30 S CA 0.254 58.249 58.200 -0.341 0.000 1.206 30 S CB 0.535 63.733 63.200 -0.004 0.000 1.603 30 S HN 0.095 8.348 8.310 -0.096 0.000 0.415 31 A N 2.624 125.191 122.820 -0.423 0.000 1.849 31 A HA -0.239 4.045 4.320 -0.061 0.000 0.216 31 A C -0.125 177.433 177.584 -0.044 0.000 1.225 31 A CA 1.776 53.708 52.037 -0.174 0.000 0.653 31 A CB -0.086 18.846 19.000 -0.114 0.000 0.844 31 A HN 0.453 8.373 8.150 -0.383 0.000 0.453 32 H N -4.574 114.558 119.070 0.103 0.000 1.452 32 H HA -0.364 4.282 4.556 0.051 -0.059 0.090 32 H C -0.734 174.712 175.328 0.195 0.000 2.811 32 H CA 0.276 56.378 56.048 0.091 0.000 1.901 32 H CB -0.840 28.951 29.762 0.048 0.000 2.257 32 H HN -0.256 7.899 8.280 -0.207 0.000 0.961 33 F N -1.929 118.124 119.950 0.172 0.000 2.969 33 F HA -0.280 4.286 4.527 0.065 0.000 0.273 33 F C -0.965 174.876 175.800 0.067 0.000 0.986 33 F CA 0.890 58.942 58.000 0.086 0.000 0.926 33 F CB -1.574 37.470 39.000 0.073 0.000 0.887 33 F HN 0.196 8.544 8.300 0.079 0.000 0.816 34 D N -0.323 120.192 120.400 0.191 0.000 2.733 34 D HA -0.023 4.715 4.640 0.163 0.000 0.262 34 D C 0.554 176.924 176.300 0.116 0.000 1.497 34 D CA 0.767 54.855 54.000 0.147 0.000 1.101 34 D CB 1.295 42.157 40.800 0.103 0.000 1.014 34 D HN -0.355 8.085 8.370 0.117 0.000 0.319 35 V N -3.022 116.933 119.914 0.068 0.000 2.471 35 V HA -0.472 3.655 4.120 0.013 0.000 0.132 35 V C -0.420 175.721 176.094 0.078 0.000 0.451 35 V CA 2.046 64.373 62.300 0.046 0.000 1.274 35 V CB -1.237 30.610 31.823 0.040 0.000 1.494 35 V HN 0.302 8.522 8.190 0.050 0.000 1.012 36 K N -1.609 118.860 120.400 0.115 0.000 2.374 36 K HA -0.013 4.389 4.320 0.136 0.000 0.202 36 K C -0.825 175.928 176.600 0.256 0.000 1.040 36 K CA 0.360 56.740 56.287 0.155 0.000 1.085 36 K CB 1.439 34.025 32.500 0.144 0.000 0.873 36 K HN 0.181 8.425 8.250 0.113 0.074 0.539 37 H N -3.353 115.778 119.070 0.102 0.000 1.797 37 H HA 0.025 4.676 4.556 0.158 0.000 0.115 37 H C -2.889 172.524 175.328 0.142 0.000 1.268 37 H CA 0.781 56.907 56.048 0.129 0.000 0.431 37 H CB -0.881 28.945 29.762 0.106 0.000 0.316 37 H HN -0.164 8.151 8.280 0.143 0.051 0.206 38 P HA 0.333 4.618 4.420 -0.441 -0.130 0.287 38 P C -0.644 176.622 177.300 -0.057 0.000 1.281 38 P CA -0.054 62.837 63.100 -0.349 0.000 0.781 38 P CB 0.807 32.371 31.700 -0.227 0.000 0.903 39 L N 0.232 121.470 121.223 0.025 0.000 2.415 39 L HA 0.150 4.500 4.340 0.016 0.000 0.194 39 L C -0.193 176.715 176.870 0.063 0.000 1.256 39 L CA 1.464 56.330 54.840 0.043 0.000 1.974 39 L CB 0.016 42.108 42.059 0.054 0.000 1.753 39 L HN 0.794 8.923 8.230 0.078 0.147 0.948 40 N N -5.741 113.012 118.700 0.090 0.000 2.170 40 N HA -0.016 4.783 4.740 0.099 0.000 0.230 40 N C -1.328 174.242 175.510 0.101 0.000 1.402 40 N CA -0.134 52.964 53.050 0.081 0.000 0.830 40 N CB 0.821 39.316 38.487 0.013 0.000 1.259 40 N HN -0.200 8.253 8.380 0.121 0.000 0.532 41 T N -0.591 114.065 114.554 0.170 0.000 2.864 41 T HA 0.113 4.542 4.350 0.133 0.000 0.299 41 T C -2.172 172.676 174.700 0.247 0.000 1.166 41 T CA -2.053 60.166 62.100 0.197 0.000 1.007 41 T CB 1.939 70.937 68.868 0.216 0.000 1.219 41 T HN -0.632 7.741 8.240 0.221 0.000 0.506 42 K N 2.423 122.926 120.400 0.172 0.000 2.206 42 K HA 0.179 4.521 4.320 -0.160 -0.118 0.264 42 K C -2.140 174.536 176.600 0.127 0.000 0.967 42 K CA -1.250 55.047 56.287 0.015 0.000 0.844 42 K CB 1.191 33.688 32.500 -0.004 0.000 1.099 42 K HN 0.132 8.477 8.250 0.158 0.000 0.441 43 W N 0.685 122.012 121.300 0.045 0.000 3.132 43 W HA 0.473 5.252 4.660 0.034 -0.099 0.337 43 W C -1.042 175.433 176.519 -0.073 0.000 1.082 43 W CA -2.136 55.218 57.345 0.015 0.000 1.242 43 W CB 1.781 31.277 29.460 0.059 0.000 1.354 43 W HN 0.122 7.757 8.180 -0.908 0.000 0.461 44 T N -0.177 114.365 114.554 -0.021 0.000 2.849 44 T HA 0.110 4.466 4.350 -0.174 -0.110 0.284 44 T C -1.084 173.472 174.700 -0.240 0.000 1.004 44 T CA -1.450 60.556 62.100 -0.158 0.000 1.021 44 T CB 1.453 70.260 68.868 -0.102 0.000 1.013 44 T HN 0.559 8.810 8.240 0.018 0.000 0.527 45 L N 2.398 123.562 121.223 -0.099 0.000 2.366 45 L HA 0.452 4.742 4.340 -0.256 -0.104 0.266 45 L C -1.813 175.095 176.870 0.064 0.000 1.010 45 L CA -0.879 53.907 54.840 -0.090 0.000 0.879 45 L CB 1.479 43.578 42.059 0.067 0.000 1.228 45 L HN -0.275 7.927 8.230 0.047 0.057 0.439 46 W N 7.154 128.322 121.300 -0.219 0.000 2.294 46 W HA 0.539 5.085 4.660 -0.552 -0.216 0.314 46 W C -1.180 175.264 176.519 -0.124 0.000 1.044 46 W CA -3.749 53.422 57.345 -0.291 0.000 1.284 46 W CB 0.181 29.614 29.460 -0.045 0.000 1.231 46 W HN 1.157 9.074 8.180 -0.277 0.097 0.419 47 Y N -0.345 120.106 120.300 0.251 0.000 2.468 47 Y HA 0.692 5.724 4.550 0.581 -0.134 0.342 47 Y C -0.696 175.352 175.900 0.246 0.000 1.021 47 Y CA -3.422 54.868 58.100 0.316 0.000 1.079 47 Y CB 1.994 40.432 38.460 -0.037 0.000 1.226 47 Y HN 0.344 7.806 8.280 -1.364 0.000 0.460 48 T N 2.338 117.228 114.554 0.561 0.000 2.779 48 T HA 0.329 4.748 4.350 0.115 0.000 0.280 48 T C 0.025 174.920 174.700 0.324 0.000 0.987 48 T CA -1.423 60.839 62.100 0.269 0.000 0.966 48 T CB 1.249 70.211 68.868 0.157 0.000 0.933 48 T HN 0.825 9.391 8.240 0.758 0.128 0.442 49 K N 4.009 124.542 120.400 0.222 0.000 2.218 49 K HA 0.331 4.780 4.320 0.216 0.000 0.214 49 K C -1.208 175.460 176.600 0.113 0.000 1.033 49 K CA 0.937 57.331 56.287 0.178 0.000 0.949 49 K CB -1.248 31.335 32.500 0.139 0.000 0.993 49 K HN 0.422 8.771 8.250 0.165 0.000 0.464 50 P HA 0.083 4.535 4.420 0.054 0.000 0.312 50 P C -1.270 176.075 177.300 0.075 0.000 1.307 50 P CA -0.297 62.839 63.100 0.059 0.000 0.738 50 P CB 0.366 32.088 31.700 0.036 0.000 1.422 51 A N -3.013 119.846 122.820 0.065 0.000 2.446 51 A HA 0.170 4.568 4.320 0.130 0.000 0.218 51 A C 0.849 178.473 177.584 0.067 0.000 1.200 51 A CA 0.860 52.950 52.037 0.089 0.000 1.259 51 A CB 0.343 19.391 19.000 0.080 0.000 1.136 51 A HN 0.123 8.302 8.150 0.048 0.000 0.450 52 V N 0.445 120.387 119.914 0.047 0.000 3.383 52 V HA -0.339 3.800 4.120 0.032 0.000 0.272 52 V C 0.768 176.887 176.094 0.042 0.000 1.181 52 V CA 0.367 62.688 62.300 0.035 0.000 1.171 52 V CB -0.998 30.838 31.823 0.021 0.000 0.800 52 V HN -0.111 8.104 8.190 0.040 0.000 0.515 53 D N -0.084 120.355 120.400 0.065 0.000 2.276 53 D HA -0.359 4.362 4.640 0.067 -0.041 0.200 53 D C 2.098 178.434 176.300 0.059 0.000 1.004 53 D CA 3.171 57.219 54.000 0.081 0.000 0.898 53 D CB -0.319 40.573 40.800 0.153 0.000 0.906 53 D HN 0.316 8.636 8.370 0.080 0.098 0.457 54 K N -2.076 118.353 120.400 0.048 0.000 2.107 54 K HA -0.273 4.067 4.320 0.034 0.000 0.211 54 K C 1.440 178.057 176.600 0.029 0.000 1.049 54 K CA 2.285 58.592 56.287 0.034 0.000 0.927 54 K CB 0.191 32.707 32.500 0.027 0.000 0.714 54 K HN -0.723 7.512 8.250 0.051 0.045 0.452 55 S N -5.415 110.301 115.700 0.026 0.000 2.593 55 S HA 0.043 4.525 4.470 0.019 0.000 0.235 55 S C 0.093 174.704 174.600 0.019 0.000 1.059 55 S CA 0.857 59.069 58.200 0.020 0.000 0.953 55 S CB 0.919 64.128 63.200 0.015 0.000 0.897 55 S HN 0.184 8.385 8.310 0.028 0.126 0.507 56 E N 1.236 121.449 120.200 0.021 0.000 3.286 56 E HA 0.103 4.458 4.350 0.007 0.000 0.370 56 E C -1.358 175.255 176.600 0.021 0.000 0.516 56 E CA 0.397 56.805 56.400 0.013 0.000 1.885 56 E CB 1.439 31.143 29.700 0.006 0.000 2.150 56 E HN 0.103 8.282 8.360 0.027 0.198 0.509 57 S N -3.869 111.845 115.700 0.024 0.000 2.586 57 S HA 0.174 4.845 4.470 0.079 -0.153 0.296 57 S C -0.062 174.571 174.600 0.055 0.000 1.120 57 S CA -0.952 57.276 58.200 0.046 0.000 0.927 57 S CB 0.955 64.160 63.200 0.009 0.000 1.114 57 S HN -0.214 8.103 8.310 0.013 0.000 0.453 58 W N 7.895 129.166 121.300 -0.049 0.000 2.321 58 W HA -0.323 4.297 4.660 -0.068 0.000 0.285 58 W C -0.299 176.178 176.519 -0.070 0.000 1.213 58 W CA 2.901 60.202 57.345 -0.073 0.000 1.205 58 W CB -0.115 29.279 29.460 -0.111 0.000 1.134 58 W HN 0.125 8.708 8.180 0.279 -0.236 0.549 59 S N -3.229 112.294 115.700 -0.296 0.000 2.501 59 S HA -0.119 3.946 4.470 -0.674 0.000 0.220 59 S C 0.377 174.792 174.600 -0.309 0.000 0.997 59 S CA 2.228 60.185 58.200 -0.404 0.000 0.919 59 S CB -0.068 63.039 63.200 -0.155 0.000 0.778 59 S HN -0.609 7.653 8.310 -0.018 0.037 0.523 60 D N 0.135 120.414 120.400 -0.202 0.000 2.323 60 D HA -0.003 4.552 4.640 -0.141 0.000 0.209 60 D C 0.746 176.948 176.300 -0.162 0.000 0.973 60 D CA 1.485 55.398 54.000 -0.146 0.000 0.874 60 D CB 0.656 41.410 40.800 -0.077 0.000 0.930 60 D HN 0.174 8.237 8.370 -0.149 0.218 0.521 61 L N -3.334 117.756 121.223 -0.222 0.000 2.276 61 L HA 0.070 4.348 4.340 -0.103 0.000 0.194 61 L C 1.084 177.798 176.870 -0.260 0.000 1.099 61 L CA 0.782 55.511 54.840 -0.185 0.000 0.800 61 L CB 0.648 42.617 42.059 -0.151 0.000 0.994 61 L HN -0.752 7.164 8.230 -0.284 0.144 0.475 62 L N 0.142 121.058 121.223 -0.512 0.000 2.747 62 L HA -0.378 3.900 4.340 -0.352 -0.149 0.286 62 L C -0.509 176.142 176.870 -0.365 0.000 1.216 62 L CA 0.865 55.397 54.840 -0.514 0.000 0.930 62 L CB -0.131 41.382 42.059 -0.909 0.000 1.216 62 L HN -0.828 6.960 8.230 -0.736 0.000 0.486 63 R N 5.876 126.191 120.500 -0.307 0.000 2.239 63 R HA 0.417 4.577 4.340 -0.300 0.000 0.332 63 R C -2.340 173.583 176.300 -0.629 0.000 0.988 63 R CA -3.516 52.356 56.100 -0.380 0.000 0.859 63 R CB 1.060 31.288 30.300 -0.120 0.000 1.148 63 R HN 0.660 8.689 8.270 -0.213 0.112 0.482 64 P HA -0.016 4.377 4.420 -0.208 -0.097 0.282 64 P C -1.691 175.488 177.300 -0.203 0.000 1.262 64 P CA -0.176 62.628 63.100 -0.494 0.000 0.773 64 P CB 0.517 31.597 31.700 -1.033 0.000 0.879 65 V N 1.603 121.521 119.914 0.007 0.000 5.000 65 V HA 0.313 4.423 4.120 -0.016 0.000 0.311 65 V C -0.345 175.777 176.094 0.047 0.000 1.608 65 V CA -2.134 60.172 62.300 0.010 0.000 0.814 65 V CB 1.134 32.969 31.823 0.020 0.000 1.241 65 V HN 0.595 8.785 8.190 0.221 0.133 0.451 66 T N 3.639 118.232 114.554 0.065 0.000 2.216 66 T HA -0.337 4.021 4.350 0.013 0.000 0.176 66 T C -0.737 173.837 174.700 -0.209 0.000 1.068 66 T CA 2.954 65.068 62.100 0.024 0.000 1.433 66 T CB -0.725 68.274 68.868 0.218 0.000 0.984 66 T HN 0.276 8.590 8.240 0.122 0.000 0.431 67 S N 4.928 120.270 115.700 -0.597 0.000 2.395 67 S HA 0.363 4.615 4.470 -0.641 -0.166 0.207 67 S C -1.620 172.259 174.600 -1.202 0.000 1.454 67 S CA -0.912 56.844 58.200 -0.739 0.000 1.211 67 S CB 1.970 64.909 63.200 -0.436 0.000 1.093 67 S HN -0.132 7.678 8.310 -0.834 0.000 0.472 68 F N 2.283 121.494 119.950 -1.233 0.000 2.814 68 F HA 0.213 4.436 4.527 -0.507 0.000 0.353 68 F C -1.355 173.763 175.800 -1.136 0.000 1.177 68 F CA -1.487 55.976 58.000 -0.895 0.000 1.036 68 F CB 4.163 42.859 39.000 -0.507 0.000 1.455 68 F HN -0.507 6.584 8.300 -2.014 0.000 0.520 69 Q N -1.217 118.557 119.800 -0.043 0.000 2.324 69 Q HA 0.352 5.144 4.340 0.501 -0.151 0.373 69 Q C -1.120 175.110 176.000 0.383 0.000 0.909 69 Q CA -1.129 54.835 55.803 0.269 0.000 1.135 69 Q CB -0.200 28.617 28.738 0.132 0.000 1.313 69 Q HN 0.215 8.578 8.270 0.155 0.000 0.417 70 T N -1.856 113.065 114.554 0.612 0.000 2.591 70 T HA 0.584 4.971 4.350 0.024 -0.023 0.274 70 T C -1.117 173.847 174.700 0.440 0.000 0.945 70 T CA -2.501 59.737 62.100 0.229 0.000 1.087 70 T CB 3.170 71.846 68.868 -0.320 0.000 1.416 70 T HN -0.652 8.146 8.240 1.026 0.058 0.514 71 V N -7.142 112.962 119.914 0.317 0.000 3.473 71 V HA 0.449 4.618 4.120 0.081 0.000 0.253 71 V C 1.025 177.393 176.094 0.458 0.000 1.340 71 V CA 0.231 62.669 62.300 0.230 0.000 1.103 71 V CB 1.182 33.031 31.823 0.042 0.000 0.881 71 V HN 0.548 8.815 8.190 0.303 0.105 0.451 72 E N 2.331 122.890 120.200 0.599 0.000 2.049 72 E HA -0.428 4.250 4.350 0.546 0.000 0.198 72 E C 2.225 179.095 176.600 0.450 0.000 1.007 72 E CA 3.765 60.465 56.400 0.498 0.000 0.809 72 E CB -0.722 29.152 29.700 0.290 0.000 0.749 72 E HN -0.663 8.145 8.360 0.747 0.000 0.450 73 E N -1.575 118.929 120.200 0.506 0.000 2.012 73 E HA -0.314 4.239 4.350 0.338 0.000 0.197 73 E C 2.253 179.166 176.600 0.521 0.000 1.007 73 E CA 2.767 59.466 56.400 0.498 0.000 0.816 73 E CB -0.539 29.566 29.700 0.675 0.000 0.762 73 E HN -0.853 7.854 8.360 0.579 0.000 0.451 74 F N 1.038 121.237 119.950 0.415 0.000 2.087 74 F HA -0.336 4.271 4.527 0.134 0.000 0.299 74 F C 1.746 177.643 175.800 0.161 0.000 1.100 74 F CA 2.744 60.801 58.000 0.095 0.000 1.226 74 F CB -0.324 38.458 39.000 -0.363 0.000 0.983 74 F HN -0.277 8.548 8.300 0.875 0.000 0.479 75 W N -1.207 120.268 121.300 0.292 0.000 2.341 75 W HA -0.453 4.273 4.660 0.111 0.000 0.283 75 W C 1.528 178.121 176.519 0.123 0.000 1.215 75 W CA 1.992 59.425 57.345 0.147 0.000 1.211 75 W CB -0.854 28.658 29.460 0.087 0.000 1.131 75 W HN 0.644 9.070 8.180 0.593 0.110 0.552 76 A N -0.572 122.457 122.820 0.349 0.000 1.851 76 A HA -0.405 4.133 4.320 0.069 -0.176 0.216 76 A C 1.613 179.264 177.584 0.112 0.000 1.195 76 A CA 3.403 55.531 52.037 0.153 0.000 0.622 76 A CB -1.278 17.807 19.000 0.142 0.000 0.831 76 A HN 0.325 8.533 8.150 0.402 0.183 0.444 77 I N -2.506 118.119 120.570 0.092 0.000 2.300 77 I HA -0.435 3.638 4.170 -0.162 0.000 0.252 77 I C 1.089 177.245 176.117 0.065 0.000 1.119 77 I CA 3.436 64.706 61.300 -0.049 0.000 1.384 77 I CB -0.222 37.684 38.000 -0.157 0.000 1.062 77 I HN -0.808 7.483 8.210 0.135 0.000 0.426 78 I N -4.200 116.501 120.570 0.220 0.000 2.716 78 I HA -0.254 4.364 4.170 0.226 -0.312 0.259 78 I C 2.376 178.613 176.117 0.201 0.000 1.172 78 I CA 1.616 63.069 61.300 0.255 0.000 1.478 78 I CB -0.236 37.978 38.000 0.357 0.000 1.104 78 I HN -0.879 7.378 8.210 0.302 0.135 0.439 79 Q N 1.053 120.948 119.800 0.158 0.000 2.217 79 Q HA -0.367 3.978 4.340 0.008 0.000 0.209 79 Q C 1.920 177.939 176.000 0.032 0.000 0.988 79 Q CA 3.752 59.576 55.803 0.034 0.000 0.878 79 Q CB -0.162 28.552 28.738 -0.040 0.000 0.909 79 Q HN 0.639 8.794 8.270 0.192 0.230 0.424 80 N N -3.390 115.334 118.700 0.039 0.000 2.512 80 N HA -0.136 4.611 4.740 0.011 0.000 0.183 80 N C 0.134 175.682 175.510 0.063 0.000 1.073 80 N CA 1.132 54.200 53.050 0.030 0.000 0.911 80 N CB 0.621 39.112 38.487 0.007 0.000 0.964 80 N HN -0.762 7.619 8.380 0.046 0.026 0.447 81 I N -6.647 113.981 120.570 0.096 0.000 3.859 81 I HA -0.211 4.051 4.170 0.139 -0.008 0.126 81 I C -1.851 174.332 176.117 0.111 0.000 1.065 81 I CA 1.020 62.388 61.300 0.113 0.000 2.735 81 I CB -2.379 35.675 38.000 0.089 0.000 1.465 81 I HN 0.243 8.279 8.210 0.108 0.239 0.341 82 P HA 0.084 4.477 4.420 0.086 0.079 0.252 82 P C 1.043 178.427 177.300 0.139 0.000 1.218 82 P CA 1.272 64.447 63.100 0.125 0.000 0.807 82 P CB 1.264 33.052 31.700 0.146 0.000 1.072 83 E N -0.401 119.912 120.200 0.187 0.000 2.076 83 E HA -0.070 4.348 4.350 0.113 0.000 0.190 83 E C -1.390 175.316 176.600 0.176 0.000 0.979 83 E CA 4.538 61.043 56.400 0.174 0.000 0.807 83 E CB -1.851 27.991 29.700 0.236 0.000 0.761 83 E HN 0.346 8.789 8.360 0.215 0.046 0.454 84 P HA -0.001 4.521 4.420 0.170 0.000 0.237 84 P C -1.344 176.089 177.300 0.222 0.000 1.701 84 P CA -0.553 62.645 63.100 0.165 0.000 0.955 84 P CB -2.452 29.320 31.700 0.121 0.000 1.937 85 H N -2.536 116.565 119.070 0.052 0.000 2.819 85 H HA -0.315 4.251 4.556 0.017 0.000 0.323 85 H C -1.166 174.181 175.328 0.032 0.000 1.243 85 H CA 1.029 57.095 56.048 0.029 0.000 1.163 85 H CB -1.995 27.781 29.762 0.023 0.000 1.493 85 H HN 0.814 9.135 8.280 0.231 0.098 0.434 86 E N -3.195 117.024 120.200 0.032 0.000 2.676 86 E HA 0.064 4.419 4.350 0.008 0.000 0.225 86 E C -0.805 175.793 176.600 -0.004 0.000 0.944 86 E CA 0.124 56.536 56.400 0.019 0.000 1.156 86 E CB 1.965 31.702 29.700 0.062 0.000 1.117 86 E HN -0.307 8.082 8.360 0.049 0.000 0.523 87 L N -2.081 119.131 121.223 -0.019 0.000 2.293 87 L HA 0.756 5.097 4.340 0.002 0.000 0.264 87 L C -1.659 175.181 176.870 -0.051 0.000 1.029 87 L CA -3.109 51.726 54.840 -0.009 0.000 0.897 87 L CB 0.142 42.225 42.059 0.040 0.000 1.497 87 L HN -0.565 7.647 8.230 -0.030 0.000 0.495 88 P HA 0.125 4.512 4.420 -0.055 0.000 0.246 88 P C -0.759 176.515 177.300 -0.044 0.000 1.686 88 P CA -0.746 62.331 63.100 -0.037 0.000 0.867 88 P CB -2.093 29.601 31.700 -0.010 0.000 1.733 89 L N -1.604 119.577 121.223 -0.070 0.000 6.991 89 L HA -0.476 3.820 4.340 -0.074 0.000 0.084 89 L C 0.087 176.931 176.870 -0.043 0.000 1.353 89 L CA 0.934 55.733 54.840 -0.068 0.000 1.687 89 L CB -1.114 40.900 42.059 -0.076 0.000 2.662 89 L HN -0.289 7.768 8.230 -0.089 0.119 1.067 90 K N -1.403 118.972 120.400 -0.042 0.000 2.971 90 K HA -0.511 3.889 4.320 -0.020 -0.092 0.265 90 K C -1.033 175.569 176.600 0.003 0.000 1.052 90 K CA 0.953 57.231 56.287 -0.015 0.000 0.780 90 K CB -0.709 31.793 32.500 0.002 0.000 1.214 90 K HN 0.216 8.368 8.250 -0.053 0.066 0.478 91 S N -2.239 113.431 115.700 -0.049 0.000 2.645 91 S HA -0.042 4.437 4.470 0.015 0.000 0.266 91 S C -1.155 173.398 174.600 -0.078 0.000 1.258 91 S CA 0.916 59.061 58.200 -0.092 0.000 0.990 91 S CB 1.696 64.725 63.200 -0.286 0.000 0.967 91 S HN -0.421 7.721 8.310 -0.078 0.121 0.556 92 D N 3.053 123.440 120.400 -0.023 0.000 2.362 92 D HA 0.321 5.198 4.640 0.024 -0.222 0.232 92 D C -1.739 174.806 176.300 0.408 0.000 1.329 92 D CA 0.078 54.200 54.000 0.204 0.000 0.944 92 D CB 2.618 43.770 40.800 0.588 0.000 1.471 92 D HN -0.207 8.166 8.370 0.006 0.000 0.533 93 Y N 1.519 121.829 120.300 0.018 0.000 2.352 93 Y HA 0.164 4.916 4.550 0.336 0.000 0.326 93 Y C -0.892 174.752 175.900 -0.427 0.000 1.166 93 Y CA -2.579 55.551 58.100 0.050 0.000 1.182 93 Y CB 2.039 40.541 38.460 0.071 0.000 1.216 93 Y HN 0.879 8.924 8.280 -0.201 0.114 0.474 94 H N -1.259 117.889 119.070 0.130 0.000 2.856 94 H HA 0.320 4.702 4.556 -0.290 0.000 0.355 94 H C -2.082 172.730 175.328 -0.860 0.000 1.079 94 H CA -0.793 55.089 56.048 -0.277 0.000 1.240 94 H CB 3.758 33.582 29.762 0.103 0.000 1.701 94 H HN 0.838 9.231 8.280 0.345 0.093 0.527 95 V N 2.924 122.136 119.914 -1.170 0.000 2.777 95 V HA 0.915 4.617 4.120 -1.091 -0.236 0.306 95 V C -1.865 173.695 176.094 -0.889 0.000 1.112 95 V CA -1.014 60.671 62.300 -1.024 0.000 0.917 95 V CB 3.422 34.979 31.823 -0.443 0.000 1.018 95 V HN -0.132 7.471 8.190 -0.978 0.000 0.426 96 F N 2.027 121.963 119.950 -0.024 0.000 3.394 96 F HA 0.369 4.985 4.527 0.148 0.000 0.329 96 F C -2.260 173.553 175.800 0.022 0.000 1.063 96 F CA -1.047 56.992 58.000 0.065 0.000 0.832 96 F CB 0.631 39.689 39.000 0.096 0.000 1.530 96 F HN -0.263 7.865 8.300 -0.287 0.000 0.459 97 R N -2.546 118.161 120.500 0.345 0.000 1.807 97 R HA -0.050 4.528 4.340 0.122 -0.164 0.036 97 R C 0.505 176.888 176.300 0.139 0.000 0.739 97 R CA 1.234 57.443 56.100 0.182 0.000 2.798 97 R CB 1.210 31.614 30.300 0.172 0.000 0.812 97 R HN -0.209 8.270 8.270 0.348 0.000 0.559 98 N N -0.894 117.904 118.700 0.164 0.000 2.096 98 N HA -0.259 4.547 4.740 0.110 0.000 0.198 98 N C 0.293 175.850 175.510 0.078 0.000 1.017 98 N CA 2.889 56.008 53.050 0.116 0.000 0.889 98 N CB -0.095 38.463 38.487 0.119 0.000 1.081 98 N HN -0.140 8.371 8.380 0.218 0.000 0.549 99 D N -3.056 117.385 120.400 0.068 0.000 2.469 99 D HA 0.042 4.703 4.640 0.034 0.000 0.240 99 D C -0.379 175.935 176.300 0.023 0.000 1.087 99 D CA 0.804 54.827 54.000 0.039 0.000 0.876 99 D CB 1.506 42.325 40.800 0.031 0.000 1.160 99 D HN 0.124 8.546 8.370 0.086 0.000 0.497 100 V N -1.039 118.884 119.914 0.016 0.000 6.568 100 V HA 0.196 4.309 4.120 -0.012 0.000 0.285 100 V C -1.595 174.456 176.094 -0.072 0.000 1.659 100 V CA -2.182 60.102 62.300 -0.026 0.000 0.618 100 V CB 2.086 33.880 31.823 -0.048 0.000 1.519 100 V HN -0.501 7.712 8.190 0.038 0.000 0.382 101 R N -4.628 115.736 120.500 -0.226 0.000 2.987 101 R HA -0.083 3.622 4.340 -1.392 -0.200 0.485 101 R C -2.825 173.405 176.300 -0.118 0.000 0.881 101 R CA 0.189 55.975 56.100 -0.523 0.000 1.082 101 R CB -1.865 28.329 30.300 -0.177 0.000 1.923 101 R HN 0.301 8.426 8.270 -0.212 0.019 0.450 102 P HA 0.049 4.685 4.420 0.361 0.000 0.217 102 P C -1.241 176.329 177.300 0.451 0.000 1.154 102 P CA 0.684 63.940 63.100 0.260 0.000 0.841 102 P CB 0.642 32.415 31.700 0.122 0.000 0.790 103 E N -7.590 112.799 120.200 0.314 0.000 2.391 103 E HA -0.006 4.855 4.350 0.852 0.000 0.280 103 E C -1.529 175.321 176.600 0.417 0.000 1.240 103 E CA -0.438 56.306 56.400 0.573 0.000 1.007 103 E CB 0.663 30.700 29.700 0.561 0.000 1.262 103 E HN -0.761 7.721 8.360 0.087 -0.071 0.397 104 W N 2.677 124.193 121.300 0.360 0.000 2.361 104 W HA -0.243 3.726 4.660 -1.150 0.000 0.270 104 W C -0.702 175.701 176.519 -0.192 0.000 1.210 104 W CA 2.942 60.212 57.345 -0.125 0.000 1.174 104 W CB -0.054 29.647 29.460 0.400 0.000 1.131 104 W HN 0.510 9.321 8.180 1.052 0.000 0.575 105 E N -2.486 117.968 120.200 0.424 0.000 2.299 105 E HA -0.146 4.230 4.350 0.043 0.000 0.193 105 E C 0.378 176.979 176.600 0.002 0.000 0.998 105 E CA 1.629 58.143 56.400 0.191 0.000 0.851 105 E CB 0.265 30.160 29.700 0.326 0.000 0.795 105 E HN -0.267 8.370 8.360 0.578 0.069 0.492 106 D N -2.756 117.638 120.400 -0.010 0.000 2.449 106 D HA 0.140 4.735 4.640 -0.076 0.000 0.255 106 D C 0.330 176.546 176.300 -0.138 0.000 1.121 106 D CA 1.384 55.348 54.000 -0.059 0.000 0.830 106 D CB 2.509 43.316 40.800 0.012 0.000 1.280 106 D HN 0.226 8.463 8.370 0.049 0.162 0.522 107 E N 1.270 121.341 120.200 -0.215 0.000 2.219 107 E HA -0.386 3.844 4.350 -0.200 0.000 0.198 107 E C 0.727 177.139 176.600 -0.314 0.000 0.998 107 E CA 2.914 59.139 56.400 -0.292 0.000 0.818 107 E CB -0.049 29.392 29.700 -0.432 0.000 0.741 107 E HN 0.680 8.799 8.360 -0.169 0.140 0.477 108 A N -3.944 118.636 122.820 -0.399 0.000 1.970 108 A HA -0.201 3.997 4.320 -0.205 0.000 0.216 108 A C 1.081 178.600 177.584 -0.108 0.000 1.170 108 A CA 2.576 54.475 52.037 -0.230 0.000 0.645 108 A CB -0.084 18.769 19.000 -0.245 0.000 0.816 108 A HN 0.160 8.010 8.150 -0.452 0.029 0.447 109 N N 0.022 118.635 118.700 -0.145 0.000 2.334 109 N HA -0.339 4.265 4.740 -0.226 0.000 0.187 109 N C 1.672 177.088 175.510 -0.157 0.000 1.016 109 N CA 2.283 55.235 53.050 -0.164 0.000 0.879 109 N CB -0.873 37.549 38.487 -0.109 0.000 0.965 109 N HN -0.680 7.450 8.380 -0.162 0.152 0.438 110 A N -1.056 121.697 122.820 -0.113 0.000 2.093 110 A HA -0.324 3.959 4.320 -0.060 0.000 0.222 110 A C -0.750 176.788 177.584 -0.076 0.000 1.162 110 A CA 1.591 53.585 52.037 -0.071 0.000 0.655 110 A CB -0.083 18.895 19.000 -0.037 0.000 0.805 110 A HN -0.589 7.313 8.150 -0.121 0.176 0.461 111 K N -7.539 112.789 120.400 -0.120 0.000 3.287 111 K HA -0.306 3.808 4.320 -0.343 0.000 0.268 111 K C -1.474 175.150 176.600 0.039 0.000 1.273 111 K CA 0.444 56.652 56.287 -0.130 0.000 0.795 111 K CB -2.472 29.964 32.500 -0.107 0.000 1.564 111 K HN -0.048 7.931 8.250 -0.140 0.187 0.534 112 G N -2.652 106.222 108.800 0.124 0.000 2.543 112 G HA2 0.490 4.528 3.960 0.063 0.000 0.202 112 G HA3 0.490 4.661 3.960 0.064 -0.173 0.202 112 G C -1.621 173.366 174.900 0.145 0.000 1.897 112 G CA -0.521 44.640 45.100 0.102 0.000 0.726 112 G HN -0.528 7.833 8.290 0.117 0.000 0.804 113 G N -2.047 106.827 108.800 0.123 0.000 2.322 113 G HA2 0.092 4.243 3.960 0.151 0.000 0.295 113 G HA3 0.092 4.191 3.960 0.232 0.000 0.295 113 G C -2.837 172.250 174.900 0.312 0.000 1.369 113 G CA 0.445 45.664 45.100 0.199 0.000 0.821 113 G HN -0.862 7.494 8.290 0.110 0.000 0.536 114 K N -0.107 120.598 120.400 0.509 0.000 2.575 114 K HA 0.430 5.389 4.320 0.853 -0.127 0.236 114 K C -0.972 176.074 176.600 0.743 0.000 0.976 114 K CA -1.160 55.492 56.287 0.608 0.000 0.985 114 K CB 2.143 34.780 32.500 0.229 0.000 1.198 114 K HN 0.906 9.353 8.250 0.556 0.136 0.464 115 W N 6.298 127.744 121.300 0.244 0.000 2.358 115 W HA 0.156 4.805 4.660 -0.229 -0.127 0.307 115 W C -0.784 175.388 176.519 -0.578 0.000 1.203 115 W CA -0.237 57.029 57.345 -0.133 0.000 1.279 115 W CB 1.509 31.024 29.460 0.091 0.000 1.264 115 W HN 0.879 9.655 8.180 0.993 0.000 0.474 116 S N 2.192 117.374 115.700 -0.863 0.000 2.664 116 S HA 1.051 5.441 4.470 -0.581 -0.268 0.304 116 S C -1.158 172.566 174.600 -1.461 0.000 1.099 116 S CA -2.155 55.499 58.200 -0.910 0.000 1.003 116 S CB 3.151 66.138 63.200 -0.355 0.000 1.092 116 S HN 1.074 8.746 8.310 -0.872 0.115 0.525 117 F N -0.661 119.190 119.950 -0.165 0.000 2.941 117 F HA 0.311 4.752 4.527 -0.143 0.000 0.359 117 F C -1.722 173.871 175.800 -0.344 0.000 1.231 117 F CA -1.332 56.549 58.000 -0.200 0.000 1.089 117 F CB 1.721 40.608 39.000 -0.188 0.000 1.407 117 F HN 0.143 8.409 8.300 -0.058 0.000 0.538 118 Q N 5.873 125.558 119.800 -0.192 0.000 2.323 118 Q HA 0.382 4.699 4.340 -0.390 -0.211 0.257 118 Q C -1.332 174.229 176.000 -0.732 0.000 1.022 118 Q CA -0.476 55.101 55.803 -0.376 0.000 0.919 118 Q CB 0.537 29.113 28.738 -0.269 0.000 1.220 118 Q HN 0.196 8.391 8.270 -0.125 0.000 0.427 119 L N 7.380 128.217 121.223 -0.643 0.000 2.343 119 L HA 0.317 3.925 4.340 -1.221 0.000 0.275 119 L C -0.973 175.649 176.870 -0.413 0.000 1.056 119 L CA -1.480 52.971 54.840 -0.649 0.000 0.804 119 L CB 2.361 44.240 42.059 -0.300 0.000 1.203 119 L HN 0.847 8.619 8.230 -0.560 0.121 0.440 120 R N 2.522 122.852 120.500 -0.282 0.000 2.196 120 R HA 0.303 4.555 4.340 -0.147 0.000 0.186 120 R C 0.572 176.818 176.300 -0.091 0.000 1.163 120 R CA -0.057 55.958 56.100 -0.143 0.000 1.146 120 R CB 1.419 31.667 30.300 -0.086 0.000 1.113 120 R HN 0.033 8.166 8.270 -0.229 0.000 0.513 121 G N 0.836 109.611 108.800 -0.041 0.000 2.368 121 G HA2 -0.174 3.756 3.960 -0.051 0.000 0.233 121 G HA3 -0.174 3.777 3.960 -0.015 0.000 0.233 121 G C -1.067 173.762 174.900 -0.118 0.000 1.267 121 G CA -0.160 44.910 45.100 -0.049 0.000 0.873 121 G HN 0.002 8.296 8.290 0.007 0.000 0.539 122 K N 1.159 121.453 120.400 -0.176 0.000 2.201 122 K HA 0.077 4.140 4.320 -0.428 0.000 0.278 122 K C -0.167 176.324 176.600 -0.181 0.000 1.027 122 K CA -0.152 55.936 56.287 -0.333 0.000 0.909 122 K CB 0.606 32.817 32.500 -0.481 0.000 1.062 122 K HN -0.050 8.121 8.250 -0.133 0.000 0.465 123 G N 0.820 109.534 108.800 -0.143 0.000 2.781 123 G HA2 0.158 4.091 3.960 -0.045 0.000 0.208 123 G HA3 0.158 4.101 3.960 -0.028 0.000 0.208 123 G C -0.898 173.985 174.900 -0.028 0.000 1.099 123 G CA -0.572 44.495 45.100 -0.055 0.000 0.776 123 G HN 0.608 8.794 8.290 -0.174 0.000 0.532 124 A N -2.431 120.373 122.820 -0.027 0.000 3.829 124 A HA -0.286 4.234 4.320 0.104 -0.137 0.264 124 A C -1.364 176.256 177.584 0.059 0.000 0.998 124 A CA 2.128 54.193 52.037 0.047 0.000 1.270 124 A CB -1.407 17.616 19.000 0.037 0.000 1.063 124 A HN 0.136 8.236 8.150 -0.083 0.000 0.879 125 D N -5.991 114.434 120.400 0.042 0.000 3.118 125 D HA 0.001 4.675 4.640 0.057 0.000 0.352 125 D C -0.970 175.348 176.300 0.031 0.000 1.498 125 D CA -0.779 53.247 54.000 0.043 0.000 0.759 125 D CB -0.156 40.663 40.800 0.032 0.000 1.251 125 D HN -0.054 8.217 8.370 0.024 0.114 0.504 126 I N -0.598 119.997 120.570 0.042 0.000 2.927 126 I HA -0.054 4.123 4.170 0.011 0.000 0.268 126 I C 0.178 176.296 176.117 0.001 0.000 1.153 126 I CA 2.244 63.561 61.300 0.028 0.000 1.459 126 I CB 0.835 38.869 38.000 0.056 0.000 1.149 126 I HN -0.365 7.880 8.210 0.059 0.000 0.443 127 D N 0.090 120.516 120.400 0.043 0.000 2.350 127 D HA -0.189 4.306 4.640 -0.242 0.000 0.216 127 D C 2.251 178.543 176.300 -0.013 0.000 0.968 127 D CA 3.017 57.009 54.000 -0.013 0.000 0.894 127 D CB -0.906 39.984 40.800 0.149 0.000 0.909 127 D HN 0.263 8.693 8.370 0.100 0.000 0.520 128 E N -1.215 118.986 120.200 0.002 0.000 2.122 128 E HA -0.190 4.161 4.350 0.001 0.000 0.190 128 E C 1.630 178.169 176.600 -0.100 0.000 0.977 128 E CA 2.888 59.279 56.400 -0.016 0.000 0.820 128 E CB 0.005 29.722 29.700 0.028 0.000 0.770 128 E HN 0.211 8.520 8.360 0.019 0.062 0.462 129 L N -0.513 120.655 121.223 -0.093 0.000 2.127 129 L HA -0.153 4.086 4.340 -0.168 0.000 0.203 129 L C 1.724 178.459 176.870 -0.226 0.000 1.080 129 L CA 2.217 56.971 54.840 -0.143 0.000 0.768 129 L CB -0.723 41.285 42.059 -0.084 0.000 0.924 129 L HN -0.796 7.402 8.230 -0.053 0.000 0.444 130 W N -0.765 120.275 121.300 -0.434 0.000 2.402 130 W HA -0.315 3.963 4.660 -0.636 0.000 0.286 130 W C 1.053 177.196 176.519 -0.627 0.000 1.221 130 W CA 3.197 60.162 57.345 -0.634 0.000 1.257 130 W CB 0.085 29.023 29.460 -0.870 0.000 1.120 130 W HN -0.043 8.107 8.180 -0.051 0.000 0.551 131 L N -0.734 120.190 121.223 -0.497 0.000 2.023 131 L HA -0.472 3.488 4.340 -0.634 0.000 0.205 131 L C 2.093 178.569 176.870 -0.656 0.000 1.073 131 L CA 3.026 57.542 54.840 -0.539 0.000 0.745 131 L CB -0.181 41.735 42.059 -0.239 0.000 0.900 131 L HN -0.816 7.239 8.230 -0.261 0.018 0.435 132 R N -2.015 118.163 120.500 -0.536 0.000 2.185 132 R HA -0.383 3.568 4.340 -0.648 0.000 0.247 132 R C 2.634 178.588 176.300 -0.577 0.000 1.159 132 R CA 3.423 59.184 56.100 -0.564 0.000 0.988 132 R CB -0.215 29.822 30.300 -0.438 0.000 0.871 132 R HN -0.583 7.438 8.270 -0.416 0.000 0.458 133 T N 0.229 114.398 114.554 -0.641 0.000 2.978 133 T HA -0.108 3.960 4.350 -0.470 0.000 0.262 133 T C 1.294 175.576 174.700 -0.696 0.000 1.063 133 T CA 3.627 65.340 62.100 -0.646 0.000 1.140 133 T CB -0.204 68.167 68.868 -0.827 0.000 0.886 133 T HN -0.573 7.106 8.240 -0.681 0.153 0.470 134 L N 0.295 120.989 121.223 -0.881 0.000 2.034 134 L HA -0.117 3.897 4.340 -0.543 0.000 0.203 134 L C 1.271 177.750 176.870 -0.652 0.000 1.074 134 L CA 2.967 57.386 54.840 -0.701 0.000 0.748 134 L CB -0.320 41.293 42.059 -0.743 0.000 0.905 134 L HN -0.140 7.369 8.230 -0.998 0.122 0.439 135 L N -4.696 115.940 121.223 -0.979 0.000 2.129 135 L HA -0.303 3.150 4.340 -1.480 0.000 0.212 135 L C 1.436 177.810 176.870 -0.827 0.000 1.087 135 L CA 3.209 57.206 54.840 -1.405 0.000 0.757 135 L CB -1.348 39.430 42.059 -2.134 0.000 0.896 135 L HN 0.017 7.549 8.230 -1.004 0.096 0.434 136 A N -2.080 120.354 122.820 -0.644 0.000 1.929 136 A HA -0.155 3.917 4.320 -0.414 0.000 0.216 136 A C 2.247 179.641 177.584 -0.318 0.000 1.176 136 A CA 2.436 54.211 52.037 -0.437 0.000 0.628 136 A CB -0.698 18.064 19.000 -0.397 0.000 0.816 136 A HN -0.613 7.112 8.150 -0.683 0.015 0.444 137 V N -0.191 119.540 119.914 -0.305 0.000 2.568 137 V HA -0.424 3.609 4.120 -0.144 0.000 0.253 137 V C 1.131 177.139 176.094 -0.144 0.000 1.072 137 V CA 3.462 65.653 62.300 -0.181 0.000 1.084 137 V CB -0.035 31.705 31.823 -0.139 0.000 0.676 137 V HN -0.621 7.245 8.190 -0.383 0.094 0.469 138 I N -6.179 114.277 120.570 -0.190 0.000 2.194 138 I HA -0.455 3.698 4.170 -0.027 0.000 0.246 138 I C 0.112 176.198 176.117 -0.052 0.000 1.093 138 I CA 2.850 64.088 61.300 -0.103 0.000 1.355 138 I CB -0.169 37.701 38.000 -0.217 0.000 1.046 138 I HN -0.671 7.339 8.210 -0.292 0.025 0.413 139 G N -2.882 105.861 108.800 -0.094 0.000 3.121 139 G HA2 0.088 4.191 3.960 -0.038 0.000 0.133 139 G HA3 0.088 4.046 3.960 -0.004 0.000 0.133 139 G C -1.275 173.572 174.900 -0.089 0.000 1.398 139 G CA 0.451 45.521 45.100 -0.050 0.000 1.037 139 G HN -0.718 7.469 8.290 -0.166 0.003 0.644 140 E N 0.095 120.238 120.200 -0.096 0.000 2.405 140 E HA -0.428 3.867 4.350 -0.091 0.000 0.240 140 E C -1.382 175.158 176.600 -0.101 0.000 1.269 140 E CA 1.035 57.368 56.400 -0.112 0.000 0.716 140 E CB -0.542 29.055 29.700 -0.171 0.000 1.228 140 E HN 0.428 8.742 8.360 -0.076 0.000 0.393 141 T N -9.878 104.623 114.554 -0.089 0.000 3.866 141 T HA -0.398 3.888 4.350 -0.106 0.000 0.344 141 T C -0.058 174.581 174.700 -0.103 0.000 0.760 141 T CA 1.583 63.620 62.100 -0.105 0.000 1.852 141 T CB -1.235 67.559 68.868 -0.122 0.000 1.891 141 T HN -0.141 8.015 8.240 -0.073 0.041 0.783 142 I N -0.122 120.389 120.570 -0.099 0.000 2.353 142 I HA -0.253 3.861 4.170 -0.094 0.000 0.248 142 I C 0.438 176.506 176.117 -0.082 0.000 1.119 142 I CA 2.555 63.798 61.300 -0.095 0.000 1.417 142 I CB 1.019 38.956 38.000 -0.106 0.000 1.078 142 I HN 0.564 8.557 8.210 -0.100 0.157 0.421 143 D N -2.052 118.302 120.400 -0.078 0.000 10.944 143 D HA -0.404 4.338 4.640 -0.064 -0.140 0.358 143 D C -0.695 175.567 176.300 -0.062 0.000 3.120 143 D CA 1.622 55.581 54.000 -0.068 0.000 2.629 143 D CB -0.229 40.529 40.800 -0.071 0.000 1.169 143 D HN -0.669 7.824 8.370 -0.079 -0.170 0.937 144 E N -0.444 119.722 120.200 -0.057 0.000 2.694 144 E HA -0.351 3.967 4.350 -0.053 0.000 0.272 144 E C -1.770 174.790 176.600 -0.067 0.000 1.040 144 E CA 1.785 58.151 56.400 -0.057 0.000 0.809 144 E CB -0.468 29.199 29.700 -0.054 0.000 1.389 144 E HN 0.399 8.727 8.360 -0.053 0.000 0.413 145 D N -4.208 116.153 120.400 -0.064 0.000 1.149 145 D HA -0.089 4.501 4.640 -0.084 0.000 0.854 145 D C -0.922 175.348 176.300 -0.049 0.000 0.417 145 D CA 1.878 55.836 54.000 -0.071 0.000 1.373 145 D CB 0.540 41.294 40.800 -0.077 0.000 1.015 145 D HN -0.393 7.923 8.370 -0.057 0.021 0.406 146 D N -1.957 118.414 120.400 -0.047 0.000 2.363 146 D HA -0.050 4.664 4.640 -0.020 -0.086 0.226 146 D C -0.007 176.287 176.300 -0.011 0.000 1.020 146 D CA 1.321 55.303 54.000 -0.029 0.000 0.892 146 D CB -0.764 40.010 40.800 -0.044 0.000 0.900 146 D HN 0.278 8.614 8.370 -0.057 0.000 0.531 147 S N -4.032 111.655 115.700 -0.020 0.000 2.665 147 S HA -0.093 4.377 4.470 -0.001 0.000 0.240 147 S C 0.667 175.260 174.600 -0.012 0.000 1.081 147 S CA 0.836 59.029 58.200 -0.013 0.000 0.887 147 S CB 0.893 64.079 63.200 -0.025 0.000 0.805 147 S HN -0.586 7.613 8.310 -0.033 0.091 0.486 148 Q N -0.003 119.782 119.800 -0.025 0.000 2.331 148 Q HA -0.004 4.321 4.340 -0.025 0.000 0.203 148 Q C -0.222 175.765 176.000 -0.022 0.000 0.944 148 Q CA 1.776 57.560 55.803 -0.031 0.000 0.892 148 Q CB 0.584 29.291 28.738 -0.052 0.000 0.983 148 Q HN -0.012 8.237 8.270 -0.034 0.000 0.482 149 I N -3.525 117.039 120.570 -0.008 0.000 3.062 149 I HA -0.194 4.055 4.170 0.017 -0.068 0.318 149 I C -1.060 175.101 176.117 0.073 0.000 1.026 149 I CA -0.601 60.715 61.300 0.027 0.000 1.096 149 I CB 1.720 39.736 38.000 0.027 0.000 1.348 149 I HN -0.665 7.505 8.210 -0.013 0.032 0.543 150 N N -1.899 116.881 118.700 0.133 0.000 2.474 150 N HA 0.034 4.846 4.740 0.119 0.000 0.224 150 N C -0.687 174.974 175.510 0.253 0.000 1.092 150 N CA 0.207 53.352 53.050 0.157 0.000 0.844 150 N CB 3.596 42.163 38.487 0.133 0.000 1.381 150 N HN 0.227 8.661 8.380 0.167 0.047 0.458 151 G N -2.933 106.083 108.800 0.360 0.000 2.576 151 G HA2 0.588 4.794 3.960 0.410 0.000 0.290 151 G HA3 0.588 5.003 3.960 0.757 0.000 0.290 151 G C -3.028 172.133 174.900 0.435 0.000 1.442 151 G CA 0.544 45.952 45.100 0.512 0.000 0.792 151 G HN -0.177 8.221 8.290 0.362 0.109 0.491 152 V N -4.636 115.437 119.914 0.265 0.000 3.155 152 V HA 0.742 5.022 4.120 0.033 -0.140 0.313 152 V C -2.388 173.566 176.094 -0.232 0.000 1.162 152 V CA -3.380 58.933 62.300 0.022 0.000 1.048 152 V CB 3.257 35.090 31.823 0.016 0.000 1.092 152 V HN -0.004 8.340 8.190 0.257 0.000 0.447 153 V N -2.308 117.449 119.914 -0.261 0.000 3.242 153 V HA 0.565 4.559 4.120 -0.385 -0.105 0.298 153 V C -2.271 173.810 176.094 -0.022 0.000 1.352 153 V CA -0.682 61.400 62.300 -0.363 0.000 1.052 153 V CB 4.706 36.053 31.823 -0.793 0.000 1.101 153 V HN 0.825 8.894 8.190 -0.065 0.082 0.446 154 L N 1.282 122.461 121.223 -0.074 0.000 2.434 154 L HA 0.531 5.132 4.340 0.434 0.000 0.260 154 L C -2.474 174.383 176.870 -0.021 0.000 0.983 154 L CA -0.715 54.237 54.840 0.186 0.000 0.820 154 L CB 3.574 45.801 42.059 0.280 0.000 1.361 154 L HN 1.071 8.976 8.230 -0.361 0.108 0.410 155 S N 3.155 118.852 115.700 -0.005 0.000 2.605 155 S HA 0.320 4.838 4.470 -0.141 -0.133 0.279 155 S C -1.725 172.777 174.600 -0.165 0.000 1.166 155 S CA -0.182 57.965 58.200 -0.089 0.000 0.975 155 S CB 2.504 65.718 63.200 0.024 0.000 1.111 155 S HN 0.736 8.993 8.310 0.061 0.090 0.465 156 I N 3.156 123.628 120.570 -0.163 0.000 2.918 156 I HA 0.061 4.099 4.170 -0.219 0.000 0.316 156 I C -1.652 174.401 176.117 -0.107 0.000 1.001 156 I CA -1.046 60.161 61.300 -0.155 0.000 1.142 156 I CB 2.052 39.984 38.000 -0.113 0.000 1.356 156 I HN -0.343 7.691 8.210 -0.177 0.071 0.524 157 R N 0.219 120.660 120.500 -0.099 0.000 2.766 157 R HA 0.247 4.619 4.340 -0.052 -0.063 0.270 157 R C -1.669 174.599 176.300 -0.054 0.000 1.035 157 R CA -1.594 54.464 56.100 -0.069 0.000 0.911 157 R CB 4.394 34.645 30.300 -0.081 0.000 1.243 157 R HN 0.374 8.579 8.270 -0.108 0.000 0.460 158 K N 1.978 122.353 120.400 -0.041 0.000 2.366 158 K HA -0.278 4.024 4.320 -0.030 0.000 0.272 158 K C 0.264 176.851 176.600 -0.021 0.000 1.151 158 K CA 1.698 57.967 56.287 -0.029 0.000 1.173 158 K CB -0.287 32.199 32.500 -0.025 0.000 0.853 158 K HN 0.513 8.740 8.250 -0.038 0.000 0.473 159 G N 2.174 110.980 108.800 0.009 0.000 2.421 159 G HA2 -0.323 3.721 3.960 0.139 0.000 0.300 159 G HA3 -0.323 3.657 3.960 0.032 0.000 0.300 159 G C -1.038 173.850 174.900 -0.020 0.000 0.974 159 G CA 0.521 45.647 45.100 0.044 0.000 1.062 159 G HN 0.117 8.410 8.290 0.005 0.000 0.514 160 G N -1.808 106.961 108.800 -0.052 0.000 3.919 160 G HA2 0.005 4.115 3.960 -0.166 0.000 0.284 160 G HA3 0.005 3.886 3.960 -0.132 0.000 0.284 160 G C -1.767 173.013 174.900 -0.200 0.000 2.841 160 G CA -0.119 44.899 45.100 -0.137 0.000 0.605 160 G HN -0.424 7.852 8.290 -0.028 -0.003 0.337 161 N N 1.692 120.244 118.700 -0.245 0.000 2.416 161 N HA -0.159 4.401 4.740 -0.301 0.000 0.246 161 N C -1.017 174.105 175.510 -0.646 0.000 1.260 161 N CA 0.642 53.449 53.050 -0.404 0.000 0.897 161 N CB 0.818 39.071 38.487 -0.390 0.000 1.110 161 N HN -0.507 7.754 8.380 -0.199 0.000 0.439 162 K N -0.599 119.331 120.400 -0.782 0.000 2.619 162 K HA 0.637 4.758 4.320 -0.681 -0.209 0.251 162 K C -1.440 174.812 176.600 -0.580 0.000 0.987 162 K CA -0.817 55.077 56.287 -0.655 0.000 0.844 162 K CB 3.200 35.528 32.500 -0.287 0.000 1.237 162 K HN 0.585 8.328 8.250 -0.690 0.092 0.447 163 F N 1.190 121.185 119.950 0.074 0.000 2.457 163 F HA 0.141 4.747 4.527 0.131 0.000 0.330 163 F C -1.543 174.604 175.800 0.578 0.000 1.069 163 F CA -2.108 56.019 58.000 0.212 0.000 1.009 163 F CB 2.771 41.578 39.000 -0.321 0.000 1.276 163 F HN -0.240 7.814 8.300 -0.411 0.000 0.492 164 A N -1.814 121.460 122.820 0.757 0.000 2.427 164 A HA 0.928 5.843 4.320 0.577 -0.249 0.298 164 A C -2.537 175.361 177.584 0.524 0.000 1.036 164 A CA -1.587 50.795 52.037 0.575 0.000 0.701 164 A CB 3.565 22.714 19.000 0.248 0.000 1.250 164 A HN 1.100 9.545 8.150 0.662 0.102 0.412 165 L N 1.122 122.772 121.223 0.711 0.000 2.319 165 L HA 0.520 5.097 4.340 0.394 0.000 0.281 165 L C -2.432 174.842 176.870 0.673 0.000 1.005 165 L CA -0.747 54.453 54.840 0.599 0.000 0.828 165 L CB 3.234 45.803 42.059 0.851 0.000 1.227 165 L HN 0.763 9.337 8.230 0.776 0.121 0.415 166 W N 7.446 128.951 121.300 0.342 0.000 2.291 166 W HA 0.851 5.904 4.660 0.245 -0.246 0.312 166 W C 0.032 176.632 176.519 0.135 0.000 1.061 166 W CA -3.763 53.731 57.345 0.249 0.000 1.296 166 W CB 0.545 30.182 29.460 0.295 0.000 1.223 166 W HN 1.181 9.506 8.180 0.401 0.096 0.421 167 T N 0.894 115.599 114.554 0.252 0.000 2.849 167 T HA 0.142 4.534 4.350 0.070 0.000 0.284 167 T C 0.693 175.443 174.700 0.083 0.000 1.004 167 T CA -1.118 61.029 62.100 0.078 0.000 1.021 167 T CB 1.387 70.200 68.868 -0.093 0.000 1.013 167 T HN 0.040 8.427 8.240 0.244 0.000 0.527 168 K N 2.987 123.413 120.400 0.043 0.000 2.361 168 K HA 0.070 4.417 4.320 0.046 0.000 0.194 168 K C 0.294 176.900 176.600 0.010 0.000 1.032 168 K CA 0.656 56.964 56.287 0.034 0.000 1.048 168 K CB 1.310 33.829 32.500 0.031 0.000 0.842 168 K HN 0.088 8.350 8.250 0.020 0.000 0.526 169 S N -4.254 111.443 115.700 -0.005 0.000 4.678 169 S HA -0.060 4.575 4.470 0.011 -0.159 0.040 169 S C -0.259 174.322 174.600 -0.031 0.000 0.860 169 S CA 0.612 58.807 58.200 -0.008 0.000 0.927 169 S CB -0.072 63.125 63.200 -0.006 0.000 0.365 169 S HN -0.477 7.781 8.310 -0.019 0.041 0.802 170 E N -0.149 120.019 120.200 -0.054 0.000 2.352 170 E HA -0.247 4.072 4.350 -0.052 0.000 0.203 170 E C -0.835 175.723 176.600 -0.070 0.000 1.024 170 E CA 1.872 58.231 56.400 -0.069 0.000 0.842 170 E CB 0.235 29.874 29.700 -0.102 0.000 0.753 170 E HN -0.649 7.679 8.360 -0.053 0.000 0.508 171 D N -4.363 115.994 120.400 -0.072 0.000 10.592 171 D HA -0.258 4.368 4.640 -0.024 0.000 0.307 171 D C -0.013 176.239 176.300 -0.079 0.000 3.076 171 D CA 0.721 54.692 54.000 -0.049 0.000 2.795 171 D CB 0.505 41.288 40.800 -0.028 0.000 1.183 171 D HN -0.469 7.780 8.370 -0.077 0.074 0.916 172 K N 3.348 123.732 120.400 -0.028 0.000 2.281 172 K HA -0.348 3.931 4.320 -0.069 0.000 0.203 172 K C 1.572 178.206 176.600 0.056 0.000 1.046 172 K CA 3.532 59.844 56.287 0.043 0.000 0.938 172 K CB -0.111 32.499 32.500 0.183 0.000 0.737 172 K HN 0.477 8.730 8.250 0.005 0.000 0.458 173 E N -0.558 119.652 120.200 0.018 0.000 2.021 173 E HA -0.237 4.131 4.350 0.031 0.000 0.200 173 E C -0.592 176.012 176.600 0.007 0.000 1.015 173 E CA 4.905 61.315 56.400 0.016 0.000 0.824 173 E CB -1.772 27.927 29.700 -0.001 0.000 0.762 173 E HN -0.585 7.900 8.360 0.004 -0.123 0.454 174 P HA -0.128 4.271 4.420 -0.034 0.000 0.228 174 P C 0.928 178.181 177.300 -0.079 0.000 1.151 174 P CA 2.224 65.292 63.100 -0.055 0.000 0.770 174 P CB -0.513 31.139 31.700 -0.080 0.000 0.786 175 L N -1.072 120.094 121.223 -0.095 0.000 2.071 175 L HA -0.201 3.949 4.340 -0.317 0.000 0.201 175 L C 2.421 179.482 176.870 0.318 0.000 1.076 175 L CA 2.902 57.644 54.840 -0.163 0.000 0.755 175 L CB -0.319 41.376 42.059 -0.606 0.000 0.915 175 L HN -0.821 7.240 8.230 -0.074 0.125 0.445 176 L N -2.215 119.245 121.223 0.394 0.000 2.197 176 L HA -0.411 4.193 4.340 0.440 0.000 0.215 176 L C 2.674 179.685 176.870 0.236 0.000 1.095 176 L CA 3.388 58.427 54.840 0.331 0.000 0.764 176 L CB -1.186 40.951 42.059 0.130 0.000 0.897 176 L HN 0.536 8.838 8.230 0.305 0.111 0.436 177 R N -1.606 118.987 120.500 0.154 0.000 2.057 177 R HA -0.220 4.180 4.340 0.100 0.000 0.224 177 R C 2.314 178.680 176.300 0.111 0.000 1.136 177 R CA 3.293 59.453 56.100 0.100 0.000 0.968 177 R CB -0.006 30.316 30.300 0.037 0.000 0.863 177 R HN -0.730 7.547 8.270 0.122 0.065 0.433 178 I N 0.049 120.647 120.570 0.047 0.000 2.133 178 I HA -0.441 3.658 4.170 -0.120 0.000 0.238 178 I C 1.351 177.559 176.117 0.152 0.000 1.074 178 I CA 4.318 65.568 61.300 -0.084 0.000 1.342 178 I CB 0.057 37.873 38.000 -0.308 0.000 1.053 178 I HN 0.138 8.182 8.210 0.019 0.177 0.404 179 G N -1.902 107.176 108.800 0.463 0.000 2.556 179 G HA2 -0.471 4.146 3.960 1.096 0.000 0.220 179 G HA3 -0.471 4.249 3.960 1.267 0.000 0.220 179 G C 1.128 176.454 174.900 0.711 0.000 1.156 179 G CA 2.693 48.345 45.100 0.921 0.000 0.766 179 G HN 0.562 8.993 8.290 0.419 0.110 0.583 180 G N 1.346 110.455 108.800 0.515 0.000 2.514 180 G HA2 -0.420 3.764 3.960 0.374 0.000 0.217 180 G HA3 -0.420 3.694 3.960 0.257 0.000 0.217 180 G C 1.346 176.449 174.900 0.339 0.000 1.198 180 G CA 1.808 47.124 45.100 0.359 0.000 0.780 180 G HN -0.635 7.937 8.290 0.470 0.000 0.565 181 K N 2.006 122.591 120.400 0.309 0.000 1.985 181 K HA -0.342 4.121 4.320 0.238 0.000 0.210 181 K C 2.479 179.371 176.600 0.487 0.000 1.047 181 K CA 2.980 59.456 56.287 0.315 0.000 0.932 181 K CB -0.152 32.502 32.500 0.256 0.000 0.716 181 K HN -0.795 7.613 8.250 0.263 0.000 0.439 182 F N -1.419 118.709 119.950 0.296 0.000 2.287 182 F HA -0.352 4.394 4.527 0.366 0.000 0.301 182 F C 2.027 178.036 175.800 0.349 0.000 1.069 182 F CA 1.450 59.699 58.000 0.414 0.000 1.372 182 F CB -0.727 38.596 39.000 0.538 0.000 1.056 182 F HN 0.394 8.997 8.300 0.678 0.104 0.523 183 K N -1.088 119.641 120.400 0.549 0.000 2.103 183 K HA -0.397 4.176 4.320 0.420 0.000 0.204 183 K C 1.690 178.417 176.600 0.212 0.000 1.052 183 K CA 3.020 59.540 56.287 0.389 0.000 0.945 183 K CB -0.120 32.624 32.500 0.408 0.000 0.722 183 K HN 0.239 8.600 8.250 0.595 0.246 0.443 184 Q N -1.701 118.222 119.800 0.204 0.000 2.163 184 Q HA -0.130 4.259 4.340 0.081 0.000 0.198 184 Q C 2.548 178.611 176.000 0.106 0.000 0.954 184 Q CA 2.670 58.546 55.803 0.122 0.000 0.851 184 Q CB 0.235 29.044 28.738 0.118 0.000 0.928 184 Q HN -0.238 8.078 8.270 0.263 0.112 0.459 185 V N 0.981 120.977 119.914 0.137 0.000 2.439 185 V HA -0.417 3.736 4.120 0.055 0.000 0.253 185 V C 0.779 176.911 176.094 0.063 0.000 1.074 185 V CA 3.578 65.931 62.300 0.088 0.000 1.076 185 V CB -0.984 30.899 31.823 0.099 0.000 0.664 185 V HN -0.032 8.278 8.190 0.201 0.000 0.461 186 L N -6.579 114.674 121.223 0.050 0.000 2.450 186 L HA -0.227 4.106 4.340 -0.011 0.000 0.224 186 L C 0.158 177.064 176.870 0.059 0.000 1.149 186 L CA 0.532 55.389 54.840 0.028 0.000 0.816 186 L CB -0.461 41.629 42.059 0.052 0.000 0.932 186 L HN -0.793 7.447 8.230 0.068 0.031 0.449 187 K N -3.850 116.581 120.400 0.052 0.000 3.167 187 K HA -0.415 3.937 4.320 0.034 -0.012 0.272 187 K C -1.218 175.411 176.600 0.048 0.000 1.137 187 K CA 0.572 56.883 56.287 0.040 0.000 0.800 187 K CB -1.961 30.556 32.500 0.030 0.000 1.253 187 K HN 0.233 8.287 8.250 0.056 0.229 0.497 188 L N -4.934 116.320 121.223 0.052 0.000 2.751 188 L HA 0.284 4.679 4.340 0.093 0.000 0.241 188 L C -0.253 176.601 176.870 -0.027 0.000 1.146 188 L CA -0.275 54.594 54.840 0.048 0.000 0.879 188 L CB 1.125 43.219 42.059 0.057 0.000 1.687 188 L HN -0.844 7.416 8.230 0.049 0.000 0.527 189 T N -3.117 111.395 114.554 -0.071 0.000 3.597 189 T HA -0.113 4.194 4.350 -0.072 0.000 0.276 189 T C 0.479 175.149 174.700 -0.049 0.000 0.904 189 T CA 1.521 63.586 62.100 -0.059 0.000 0.750 189 T CB 0.893 69.752 68.868 -0.014 0.000 1.177 189 T HN 0.440 8.633 8.240 -0.079 0.000 0.864 190 D N 2.276 122.670 120.400 -0.010 0.000 2.244 190 D HA -0.254 4.400 4.640 0.023 0.000 0.197 190 D C -0.122 176.183 176.300 0.008 0.000 1.006 190 D CA 2.229 56.245 54.000 0.027 0.000 0.888 190 D CB 0.250 41.110 40.800 0.099 0.000 0.912 190 D HN 0.146 8.525 8.370 0.017 0.000 0.452 191 D N -5.941 114.430 120.400 -0.047 0.000 3.617 191 D HA -0.037 4.590 4.640 -0.021 0.000 0.264 191 D C -0.875 175.368 176.300 -0.095 0.000 1.579 191 D CA 0.338 54.318 54.000 -0.033 0.000 0.817 191 D CB -0.216 40.604 40.800 0.032 0.000 1.516 191 D HN -0.253 8.007 8.370 -0.139 0.027 0.619 192 G N -1.812 106.855 108.800 -0.222 0.000 2.380 192 G HA2 -0.405 3.382 3.960 -0.289 0.000 0.298 192 G HA3 -0.405 3.518 3.960 -0.063 0.000 0.298 192 G C -0.829 173.966 174.900 -0.175 0.000 0.989 192 G CA 0.796 45.768 45.100 -0.213 0.000 0.836 192 G HN -0.066 8.086 8.290 -0.231 0.000 0.511 193 H N -4.757 114.356 119.070 0.072 0.000 3.119 193 H HA -0.295 4.271 4.556 0.059 0.026 0.334 193 H C -1.581 173.785 175.328 0.064 0.000 1.042 193 H CA 0.196 56.276 56.048 0.054 0.000 1.354 193 H CB -0.164 29.605 29.762 0.011 0.000 1.285 193 H HN -0.339 7.589 8.280 -0.508 0.047 0.601 194 L N -1.585 119.770 121.223 0.220 0.000 3.167 194 L HA -0.023 4.291 4.340 -0.043 0.000 0.273 194 L C -2.958 173.774 176.870 -0.231 0.000 0.969 194 L CA 0.319 55.143 54.840 -0.026 0.000 1.033 194 L CB 3.917 46.003 42.059 0.044 0.000 1.544 194 L HN -0.361 7.940 8.230 0.187 0.042 0.393 195 E N -0.526 119.232 120.200 -0.737 0.000 2.290 195 E HA 0.478 4.930 4.350 -0.057 -0.136 0.274 195 E C -2.133 173.853 176.600 -1.023 0.000 0.889 195 E CA -1.273 54.829 56.400 -0.497 0.000 0.760 195 E CB 3.805 33.319 29.700 -0.310 0.000 1.206 195 E HN 0.813 8.444 8.360 -1.045 0.102 0.419 196 F N 3.564 123.288 119.950 -0.377 0.000 2.460 196 F HA 0.279 3.815 4.527 -1.651 0.000 0.341 196 F C -1.534 173.932 175.800 -0.556 0.000 1.130 196 F CA -1.311 56.053 58.000 -1.059 0.000 0.962 196 F CB 1.965 40.235 39.000 -1.217 0.000 1.171 196 F HN 0.629 9.120 8.300 0.317 0.000 0.436 197 F N 2.348 122.050 119.950 -0.415 0.000 2.574 197 F HA 0.446 4.903 4.527 -0.116 0.000 0.313 197 F C -2.708 173.147 175.800 0.091 0.000 1.130 197 F CA -1.882 56.048 58.000 -0.116 0.000 0.936 197 F CB 4.391 43.307 39.000 -0.141 0.000 1.219 197 F HN 0.096 8.318 8.300 -0.130 0.000 0.445 198 P HA 0.462 4.954 4.420 0.120 0.000 0.278 198 P C 0.527 177.690 177.300 -0.228 0.000 1.258 198 P CA -1.324 61.733 63.100 -0.073 0.000 0.811 198 P CB 1.318 32.835 31.700 -0.305 0.000 1.063 199 H N -1.998 117.079 119.070 0.012 0.000 2.496 199 H HA -0.418 4.038 4.556 -0.167 0.000 0.296 199 H C 1.839 177.128 175.328 -0.065 0.000 1.107 199 H CA 3.313 59.309 56.048 -0.087 0.000 1.263 199 H CB -1.110 28.596 29.762 -0.093 0.000 1.369 199 H HN 0.505 8.568 8.280 -0.361 0.000 0.541 200 S N -1.197 114.371 115.700 -0.219 0.000 2.462 200 S HA -0.376 4.305 4.470 0.126 -0.135 0.243 200 S C 1.766 176.372 174.600 0.009 0.000 1.003 200 S CA 2.052 60.244 58.200 -0.013 0.000 0.970 200 S CB -0.490 62.644 63.200 -0.110 0.000 0.762 200 S HN -0.226 7.529 8.310 -0.843 0.049 0.510 201 S N 2.383 118.083 115.700 -0.001 0.000 2.388 201 S HA -0.180 4.343 4.470 0.088 0.000 0.223 201 S C 1.173 175.698 174.600 -0.125 0.000 1.034 201 S CA 2.900 61.116 58.200 0.026 0.000 0.963 201 S CB 0.226 63.518 63.200 0.153 0.000 0.827 201 S HN 0.275 8.387 8.310 -0.034 0.177 0.481 202 A N 0.945 123.629 122.820 -0.226 0.000 2.648 202 A HA 0.014 4.103 4.320 -0.385 0.000 0.269 202 A C -1.692 175.807 177.584 -0.141 0.000 1.392 202 A CA 0.321 52.160 52.037 -0.330 0.000 1.019 202 A CB -1.062 17.605 19.000 -0.555 0.000 1.009 202 A HN -0.547 7.403 8.150 -0.198 0.080 0.565 203 N N -5.326 113.339 118.700 -0.058 0.000 2.566 203 N HA -0.065 4.669 4.740 -0.010 0.000 0.221 203 N C -0.250 175.270 175.510 0.017 0.000 1.363 203 N CA -0.378 52.665 53.050 -0.012 0.000 1.517 203 N CB -0.419 38.064 38.487 -0.007 0.000 1.312 203 N HN -0.877 7.360 8.380 -0.048 0.114 0.601 204 G N -0.543 108.281 108.800 0.040 0.000 2.698 204 G HA2 -0.238 3.809 3.960 0.144 0.000 0.360 204 G HA3 -0.238 3.765 3.960 0.071 0.000 0.360 204 G C -0.228 174.761 174.900 0.147 0.000 1.005 204 G CA -0.200 44.965 45.100 0.108 0.000 1.293 204 G HN -0.527 7.776 8.290 0.023 0.000 0.590 205 R N 5.572 126.152 120.500 0.132 0.000 4.902 205 R HA -0.067 4.372 4.340 0.088 -0.046 0.201 205 R C -0.239 176.134 176.300 0.122 0.000 2.020 205 R CA -0.918 55.250 56.100 0.113 0.000 1.674 205 R CB -1.539 28.834 30.300 0.121 0.000 1.349 205 R HN 0.346 8.681 8.270 0.108 0.000 0.813 206 H N 2.211 121.281 119.070 0.001 0.000 2.256 206 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 206 H C -0.973 174.345 175.328 -0.018 0.000 1.071 206 H CA 3.301 59.347 56.048 -0.004 0.000 1.280 206 H CB -1.338 28.424 29.762 -0.002 0.000 1.370 206 H HN 0.114 8.494 8.280 0.317 0.090 0.490 207 P HA 0.001 4.430 4.420 0.015 0.000 0.286 207 P C -1.344 175.929 177.300 -0.044 0.000 1.293 207 P CA -0.538 62.573 63.100 0.018 0.000 0.770 207 P CB 0.584 32.291 31.700 0.011 0.000 1.206 208 Q N -1.363 118.387 119.800 -0.083 0.000 2.259 208 Q HA 0.112 4.357 4.340 -0.158 0.000 0.249 208 Q C -0.689 175.161 176.000 -0.250 0.000 0.914 208 Q CA -1.322 54.387 55.803 -0.156 0.000 0.904 208 Q CB -0.554 28.105 28.738 -0.132 0.000 1.213 208 Q HN 0.103 8.333 8.270 -0.066 0.000 0.428 209 P HA -0.000 4.131 4.420 -0.481 0.000 0.196 209 P C -0.350 176.667 177.300 -0.471 0.000 1.130 209 P CA 0.588 63.268 63.100 -0.699 0.000 0.860 209 P CB 0.947 31.460 31.700 -1.978 0.000 0.705 210 S N -4.147 111.227 115.700 -0.543 0.000 4.428 210 S HA 0.079 4.412 4.470 -0.229 0.000 0.199 210 S C -1.476 172.930 174.600 -0.323 0.000 1.156 210 S CA 0.493 58.500 58.200 -0.321 0.000 1.134 210 S CB 2.706 65.740 63.200 -0.277 0.000 1.531 210 S HN -0.304 7.525 8.310 -0.802 0.000 0.551 211 I N -4.208 116.208 120.570 -0.256 0.000 3.078 211 I HA 0.324 4.409 4.170 -0.142 0.000 0.310 211 I C -2.504 173.737 176.117 0.207 0.000 1.483 211 I CA -0.236 60.980 61.300 -0.139 0.000 0.929 211 I CB 2.948 40.677 38.000 -0.452 0.000 1.320 211 I HN -0.591 7.502 8.210 -0.195 0.000 0.552 212 T N -1.028 113.633 114.554 0.177 0.000 3.755 212 T HA 0.484 5.215 4.350 0.293 -0.206 0.327 212 T C -0.876 173.921 174.700 0.161 0.000 0.801 212 T CA -0.597 61.639 62.100 0.227 0.000 1.026 212 T CB 0.485 69.466 68.868 0.189 0.000 1.040 212 T HN 0.041 8.320 8.240 0.065 0.000 0.470 213 L N 0.000 121.350 121.223 0.211 0.000 2.949 213 L HA 0.000 4.403 4.340 0.105 0.000 0.249 213 L CA 0.000 54.931 54.840 0.151 0.000 0.813 213 L CB 0.000 42.169 42.059 0.183 0.000 0.961 213 L HN 0.000 8.332 8.230 0.321 0.090 0.502