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 2yt1_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGDAA VTPEERHLSK MQQNGYENPT YKFFEQMQNS GPSSGIEGRG DATA SEQUENCE SSGSSGSSGS SGPTPKTELV QKFRVQYLGM LPVDRPVGMD TLNSAIENLM DATA SEQUENCE TSSSKEDWPS VNMNVADATV TVISEKNEEE VLVECRVRFL SFMGVGKDVH DATA SEQUENCE TFAFIMDTGN QRFECHVFWC EPNAANVSEA VQAAC 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 4.010 3.960 0.084 0.000 0.244 1 G C 0.000 174.932 174.900 0.054 0.000 0.946 1 G CA 0.000 45.137 45.100 0.062 0.000 0.502 2 S N 3.915 119.641 115.700 0.045 0.000 2.404 2 S HA 0.194 4.687 4.470 0.038 0.000 0.309 2 S C -0.156 174.470 174.600 0.044 0.000 1.076 2 S CA -0.333 57.890 58.200 0.039 0.000 1.095 2 S CB 0.491 63.709 63.200 0.029 0.000 0.972 2 S HN -0.057 8.277 8.310 0.041 0.000 0.484 3 S N 5.543 121.271 115.700 0.047 0.000 2.525 3 S HA 0.175 4.677 4.470 0.054 0.000 0.290 3 S C -0.756 173.869 174.600 0.042 0.000 1.152 3 S CA 0.060 58.291 58.200 0.052 0.000 1.072 3 S CB 0.926 64.163 63.200 0.062 0.000 1.027 3 S HN 0.242 8.580 8.310 0.045 0.000 0.500 4 G N 2.936 111.761 108.800 0.042 0.000 2.238 4 G HA2 -0.097 3.884 3.960 0.034 0.000 0.276 4 G HA3 -0.097 3.881 3.960 0.030 0.000 0.276 4 G C -1.667 173.253 174.900 0.034 0.000 1.744 4 G CA -0.392 44.729 45.100 0.035 0.000 0.912 4 G HN 0.034 8.353 8.290 0.048 0.000 0.744 5 S N 1.292 117.011 115.700 0.032 0.000 2.608 5 S HA 0.361 4.850 4.470 0.032 0.000 0.291 5 S C 1.108 175.722 174.600 0.024 0.000 1.146 5 S CA -0.724 57.494 58.200 0.030 0.000 1.043 5 S CB 2.006 65.225 63.200 0.032 0.000 1.037 5 S HN -0.073 8.256 8.310 0.031 0.000 0.520 6 S N 2.981 118.694 115.700 0.022 0.000 2.345 6 S HA -0.043 4.437 4.470 0.017 0.000 0.220 6 S C 0.058 174.668 174.600 0.017 0.000 1.031 6 S CA 1.105 59.316 58.200 0.018 0.000 0.996 6 S CB 0.492 63.703 63.200 0.017 0.000 0.882 6 S HN 0.424 8.748 8.310 0.024 0.000 0.445 7 G N -1.222 107.588 108.800 0.018 0.000 2.682 7 G HA2 0.087 4.056 3.960 0.015 0.000 0.303 7 G HA3 0.087 4.055 3.960 0.014 0.000 0.303 7 G C -3.067 171.843 174.900 0.017 0.000 1.341 7 G CA -0.126 44.984 45.100 0.016 0.000 0.784 7 G HN -0.345 7.956 8.290 0.019 0.000 0.497 8 D N -3.195 117.214 120.400 0.015 0.000 2.722 8 D HA 0.124 4.773 4.640 0.016 0.000 0.231 8 D C -0.480 175.827 176.300 0.012 0.000 1.218 8 D CA 0.118 54.127 54.000 0.015 0.000 0.753 8 D CB 1.606 42.415 40.800 0.015 0.000 1.471 8 D HN -0.328 8.050 8.370 0.013 0.000 0.455 9 A N 2.748 125.575 122.820 0.012 0.000 1.884 9 A HA 0.173 4.499 4.320 0.010 0.000 0.212 9 A C -0.571 177.018 177.584 0.010 0.000 1.265 9 A CA 0.550 52.593 52.037 0.010 0.000 0.626 9 A CB 0.435 19.441 19.000 0.010 0.000 0.943 9 A HN 0.458 8.616 8.150 0.013 0.000 0.466 10 A N -1.849 120.977 122.820 0.010 0.000 2.423 10 A HA 0.331 4.656 4.320 0.008 0.000 0.304 10 A C -1.553 176.037 177.584 0.009 0.000 1.104 10 A CA -0.771 51.271 52.037 0.009 0.000 0.757 10 A CB 1.523 20.528 19.000 0.008 0.000 1.313 10 A HN -0.162 7.995 8.150 0.011 0.000 0.423 11 V N 0.393 120.312 119.914 0.008 0.000 2.539 11 V HA 0.177 4.302 4.120 0.008 0.000 0.292 11 V C 0.082 176.180 176.094 0.006 0.000 1.045 11 V CA -0.682 61.622 62.300 0.007 0.000 0.945 11 V CB 1.833 33.660 31.823 0.007 0.000 0.993 11 V HN 0.001 8.196 8.190 0.008 0.000 0.464 12 T N 7.048 121.605 114.554 0.005 0.000 2.904 12 T HA 0.357 4.710 4.350 0.005 0.000 0.290 12 T C -0.493 174.210 174.700 0.006 0.000 1.018 12 T CA -3.303 58.799 62.100 0.004 0.000 1.075 12 T CB 0.256 69.125 68.868 0.001 0.000 0.986 12 T HN 0.043 8.285 8.240 0.004 0.000 0.523 13 P HA 0.020 4.447 4.420 0.012 0.000 0.230 13 P C 0.880 178.192 177.300 0.020 0.000 1.158 13 P CA 1.725 64.831 63.100 0.009 0.000 0.769 13 P CB 0.161 31.861 31.700 -0.001 0.000 0.807 14 E N -1.620 118.587 120.200 0.013 0.000 2.140 14 E HA -0.133 4.246 4.350 0.048 0.000 0.191 14 E C 2.035 178.645 176.600 0.016 0.000 0.973 14 E CA 2.232 58.645 56.400 0.022 0.000 0.829 14 E CB -0.296 29.401 29.700 -0.006 0.000 0.781 14 E HN -0.639 7.665 8.360 0.004 0.058 0.466 15 E N 0.086 120.281 120.200 -0.009 0.000 2.028 15 E HA -0.232 4.081 4.350 -0.061 0.000 0.191 15 E C 2.402 178.989 176.600 -0.022 0.000 0.988 15 E CA 2.316 58.698 56.400 -0.031 0.000 0.799 15 E CB -0.286 29.400 29.700 -0.023 0.000 0.755 15 E HN -0.343 8.014 8.360 -0.006 0.000 0.447 16 R N -2.400 118.104 120.500 0.007 0.000 2.133 16 R HA -0.369 3.974 4.340 0.004 0.000 0.245 16 R C 2.135 178.453 176.300 0.030 0.000 1.137 16 R CA 3.608 59.718 56.100 0.017 0.000 0.947 16 R CB -0.193 30.124 30.300 0.029 0.000 0.865 16 R HN -0.585 7.691 8.270 0.010 0.000 0.437 17 H N -1.460 117.588 119.070 -0.037 0.000 2.421 17 H HA -0.169 4.368 4.556 -0.032 0.000 0.298 17 H C 2.033 177.330 175.328 -0.053 0.000 1.087 17 H CA 2.727 58.748 56.048 -0.045 0.000 1.330 17 H CB -0.235 29.490 29.762 -0.061 0.000 1.388 17 H HN -0.492 7.871 8.280 0.136 -0.002 0.526 18 L N -1.316 119.714 121.223 -0.323 0.000 2.109 18 L HA -0.316 3.680 4.340 -0.573 0.000 0.207 18 L C 1.871 178.620 176.870 -0.202 0.000 1.086 18 L CA 2.450 57.076 54.840 -0.357 0.000 0.760 18 L CB -0.304 41.621 42.059 -0.223 0.000 0.910 18 L HN -0.112 7.898 8.230 -0.130 0.142 0.437 19 S N 0.369 116.001 115.700 -0.114 0.000 2.365 19 S HA -0.374 4.067 4.470 -0.049 0.000 0.225 19 S C 1.887 176.459 174.600 -0.047 0.000 1.039 19 S CA 3.819 61.984 58.200 -0.058 0.000 1.033 19 S CB -0.445 62.739 63.200 -0.027 0.000 0.887 19 S HN 0.293 8.452 8.310 -0.096 0.093 0.447 20 K N 0.399 120.767 120.400 -0.052 0.000 2.044 20 K HA -0.332 3.991 4.320 0.006 0.000 0.210 20 K C 2.182 178.772 176.600 -0.016 0.000 1.049 20 K CA 3.240 59.517 56.287 -0.017 0.000 0.927 20 K CB -0.336 32.170 32.500 0.010 0.000 0.713 20 K HN -0.775 7.436 8.250 -0.064 0.000 0.443 21 M N -5.130 114.422 119.600 -0.079 0.000 2.358 21 M HA -0.274 4.203 4.480 -0.006 0.000 0.264 21 M C 2.183 178.486 176.300 0.005 0.000 1.064 21 M CA 2.699 57.969 55.300 -0.051 0.000 1.093 21 M CB -1.079 31.440 32.600 -0.136 0.000 1.401 21 M HN -0.532 7.660 8.290 -0.164 0.000 0.440 22 Q N -2.460 117.335 119.800 -0.008 0.000 2.269 22 Q HA -0.184 4.180 4.340 0.040 0.000 0.201 22 Q C 1.901 177.926 176.000 0.041 0.000 0.946 22 Q CA 1.856 57.671 55.803 0.021 0.000 0.877 22 Q CB 0.455 29.192 28.738 -0.001 0.000 0.963 22 Q HN -0.325 7.747 8.270 -0.040 0.174 0.472 23 Q N -0.949 118.872 119.800 0.034 0.000 1.917 23 Q HA -0.263 4.095 4.340 0.030 0.000 0.205 23 Q C 1.507 177.545 176.000 0.063 0.000 0.988 23 Q CA 2.548 58.374 55.803 0.039 0.000 0.851 23 Q CB 0.416 29.172 28.738 0.031 0.000 0.916 23 Q HN -0.160 8.010 8.270 0.019 0.111 0.424 24 N N -4.761 113.993 118.700 0.089 0.000 2.612 24 N HA 0.092 4.896 4.740 0.108 0.000 0.224 24 N C -0.494 175.186 175.510 0.283 0.000 1.051 24 N CA 0.323 53.453 53.050 0.134 0.000 0.889 24 N CB 2.587 41.132 38.487 0.096 0.000 1.449 24 N HN -0.633 7.794 8.380 0.079 0.000 0.442 25 G N -0.389 108.535 108.800 0.208 0.000 2.306 25 G HA2 -0.227 3.898 3.960 0.058 0.000 0.262 25 G HA3 -0.227 3.882 3.960 0.250 0.000 0.262 25 G C -2.443 172.512 174.900 0.091 0.000 1.263 25 G CA -0.483 44.705 45.100 0.147 0.000 1.088 25 G HN -0.787 7.583 8.290 0.132 0.000 0.489 26 Y N 2.844 122.986 120.300 -0.263 0.000 2.329 26 Y HA 0.210 4.738 4.550 -0.037 0.000 0.328 26 Y C -2.214 173.611 175.900 -0.125 0.000 0.992 26 Y CA -1.026 56.986 58.100 -0.147 0.000 1.151 26 Y CB 2.927 41.300 38.460 -0.145 0.000 1.150 26 Y HN -0.101 7.874 8.280 -0.509 0.000 0.450 27 E N 7.137 127.180 120.200 -0.262 0.000 2.175 27 E HA 0.173 4.709 4.350 0.086 -0.134 0.278 27 E C -1.053 175.448 176.600 -0.165 0.000 0.969 27 E CA -1.347 55.008 56.400 -0.075 0.000 0.796 27 E CB 1.737 31.435 29.700 -0.004 0.000 1.104 27 E HN 0.232 8.326 8.360 -0.444 0.000 0.395 28 N N 6.525 125.245 118.700 0.033 0.000 2.458 28 N HA 0.211 5.030 4.740 0.131 0.000 0.270 28 N C -0.659 174.933 175.510 0.137 0.000 1.102 28 N CA -2.229 50.892 53.050 0.118 0.000 0.967 28 N CB 1.163 39.758 38.487 0.181 0.000 1.078 28 N HN 0.214 8.633 8.380 0.066 0.000 0.471 29 P HA -0.031 4.484 4.420 0.158 0.000 0.214 29 P C 1.446 179.002 177.300 0.426 0.000 1.162 29 P CA 1.932 65.180 63.100 0.248 0.000 0.874 29 P CB 0.718 32.594 31.700 0.294 0.000 0.784 30 T N 0.905 115.691 114.554 0.387 0.000 2.564 30 T HA -0.474 4.142 4.350 0.443 0.000 0.264 30 T C 1.495 176.421 174.700 0.377 0.000 1.100 30 T CA 4.156 66.479 62.100 0.371 0.000 1.171 30 T CB -0.812 68.161 68.868 0.175 0.000 0.863 30 T HN -0.146 8.364 8.240 0.275 -0.105 0.430 31 Y N 1.699 122.092 120.300 0.155 0.000 2.108 31 Y HA -0.537 4.038 4.550 0.041 0.000 0.274 31 Y C 1.852 177.839 175.900 0.146 0.000 1.229 31 Y CA 3.736 61.897 58.100 0.102 0.000 1.129 31 Y CB -0.060 38.440 38.460 0.066 0.000 0.946 31 Y HN -0.662 7.996 8.280 0.366 -0.159 0.509 32 K N -2.153 118.409 120.400 0.271 0.000 2.026 32 K HA -0.378 4.010 4.320 0.114 0.000 0.208 32 K C 2.374 178.974 176.600 -0.000 0.000 1.048 32 K CA 2.795 59.129 56.287 0.079 0.000 0.929 32 K CB -0.746 31.713 32.500 -0.070 0.000 0.713 32 K HN -0.322 8.023 8.250 0.309 0.090 0.439 33 F N -1.607 118.386 119.950 0.071 0.000 2.095 33 F HA -0.330 4.207 4.527 0.017 0.000 0.298 33 F C 2.017 177.830 175.800 0.021 0.000 1.104 33 F CA 3.340 61.361 58.000 0.036 0.000 1.232 33 F CB -0.349 38.670 39.000 0.033 0.000 0.987 33 F HN -0.403 8.008 8.300 0.325 0.084 0.475 34 F N -3.645 116.350 119.950 0.075 0.000 2.184 34 F HA -0.474 4.032 4.527 -0.034 0.000 0.301 34 F C 1.102 176.850 175.800 -0.087 0.000 1.076 34 F CA 2.639 60.600 58.000 -0.065 0.000 1.295 34 F CB 0.288 39.160 39.000 -0.213 0.000 1.026 34 F HN -0.271 8.256 8.300 0.379 0.000 0.494 35 E N -2.866 117.401 120.200 0.112 0.000 2.004 35 E HA -0.149 4.247 4.350 0.076 0.000 0.192 35 E C 1.221 177.807 176.600 -0.024 0.000 0.987 35 E CA 1.687 58.114 56.400 0.044 0.000 0.822 35 E CB 0.224 29.949 29.700 0.042 0.000 0.779 35 E HN -0.660 7.637 8.360 0.124 0.138 0.458 36 Q N -0.709 119.074 119.800 -0.028 0.000 2.490 36 Q HA 0.157 4.473 4.340 -0.040 0.000 0.226 36 Q C -1.011 174.973 176.000 -0.028 0.000 1.132 36 Q CA -1.195 54.583 55.803 -0.042 0.000 0.928 36 Q CB -0.891 27.813 28.738 -0.057 0.000 1.299 36 Q HN -0.556 7.697 8.270 -0.029 0.000 0.528 37 M N 4.362 123.938 119.600 -0.040 0.000 2.063 37 M HA 0.266 4.769 4.480 0.038 0.000 0.348 37 M C -0.290 176.002 176.300 -0.013 0.000 1.180 37 M CA -0.144 55.144 55.300 -0.020 0.000 1.059 37 M CB 0.997 33.546 32.600 -0.086 0.000 1.544 37 M HN -0.056 8.195 8.290 -0.064 0.000 0.447 38 Q N 6.237 126.048 119.800 0.018 0.000 2.283 38 Q HA -0.208 4.133 4.340 0.002 0.000 0.301 38 Q C -1.295 174.702 176.000 -0.005 0.000 1.063 38 Q CA 0.410 56.219 55.803 0.010 0.000 0.952 38 Q CB 0.512 29.267 28.738 0.030 0.000 1.166 38 Q HN 0.402 8.704 8.270 0.054 0.000 0.381 39 N N 1.477 120.171 118.700 -0.010 0.000 2.825 39 N HA 0.069 4.800 4.740 -0.014 0.000 0.253 39 N C -1.709 173.794 175.510 -0.011 0.000 1.426 39 N CA -0.733 52.309 53.050 -0.014 0.000 0.851 39 N CB 2.606 41.079 38.487 -0.023 0.000 1.470 39 N HN 0.075 8.450 8.380 -0.009 0.000 0.517 40 S N 0.072 115.766 115.700 -0.011 0.000 2.564 40 S HA 0.078 4.544 4.470 -0.007 0.000 0.278 40 S C 0.031 174.626 174.600 -0.009 0.000 1.333 40 S CA -0.034 58.161 58.200 -0.009 0.000 1.048 40 S CB 0.599 63.794 63.200 -0.009 0.000 0.900 40 S HN 0.099 8.401 8.310 -0.013 0.000 0.505 41 G N 2.660 111.456 108.800 -0.007 0.000 4.373 41 G HA2 0.268 4.222 3.960 -0.008 0.000 0.337 41 G HA3 0.268 4.223 3.960 -0.007 0.000 0.337 41 G C -0.871 174.025 174.900 -0.006 0.000 1.442 41 G CA -1.516 43.579 45.100 -0.007 0.000 1.150 41 G HN 0.380 8.666 8.290 -0.006 0.000 0.517 42 P HA 0.115 4.532 4.420 -0.005 0.000 0.239 42 P C -0.353 176.944 177.300 -0.005 0.000 1.184 42 P CA -0.332 62.764 63.100 -0.005 0.000 0.760 42 P CB 0.501 32.198 31.700 -0.006 0.000 0.884 43 S N -1.295 114.402 115.700 -0.005 0.000 2.400 43 S HA -0.276 4.191 4.470 -0.004 0.000 0.234 43 S C 0.742 175.340 174.600 -0.004 0.000 1.049 43 S CA 2.185 60.383 58.200 -0.005 0.000 1.039 43 S CB 0.048 63.246 63.200 -0.005 0.000 0.856 43 S HN -0.085 8.114 8.310 -0.006 0.108 0.465 44 S N 2.067 117.764 115.700 -0.004 0.000 2.498 44 S HA -0.065 4.403 4.470 -0.003 0.000 0.281 44 S C -1.100 173.498 174.600 -0.003 0.000 1.265 44 S CA 2.296 60.494 58.200 -0.003 0.000 1.071 44 S CB 0.391 63.589 63.200 -0.003 0.000 0.894 44 S HN -0.622 7.664 8.310 -0.004 0.022 0.491 45 G N 3.078 111.877 108.800 -0.003 0.000 2.351 45 G HA2 0.079 4.038 3.960 -0.002 0.000 0.279 45 G HA3 0.079 4.038 3.960 -0.002 0.000 0.279 45 G C -1.968 172.931 174.900 -0.002 0.000 1.297 45 G CA -0.494 44.604 45.100 -0.002 0.000 0.886 45 G HN -0.331 7.958 8.290 -0.002 0.000 0.493 46 I N 1.393 121.962 120.570 -0.002 0.000 3.626 46 I HA 0.141 4.310 4.170 -0.002 0.000 0.345 46 I C -0.780 175.336 176.117 -0.002 0.000 1.502 46 I CA -0.192 61.107 61.300 -0.002 0.000 1.135 46 I CB -0.456 37.543 38.000 -0.001 0.000 1.456 46 I HN -0.055 8.154 8.210 -0.002 0.000 0.460 47 E N 2.251 122.450 120.200 -0.002 0.000 2.255 47 E HA 0.242 4.591 4.350 -0.002 0.000 0.256 47 E C -0.690 175.909 176.600 -0.002 0.000 0.887 47 E CA -0.189 56.209 56.400 -0.002 0.000 0.782 47 E CB 1.143 30.842 29.700 -0.002 0.000 1.214 47 E HN -0.024 8.256 8.360 -0.002 0.079 0.417 48 G N 2.114 110.913 108.800 -0.002 0.000 4.921 48 G HA2 0.247 4.206 3.960 -0.002 0.000 0.248 48 G HA3 0.247 4.206 3.960 -0.001 0.000 0.248 48 G C -1.392 173.507 174.900 -0.001 0.000 1.026 48 G CA 0.445 45.545 45.100 -0.001 0.000 0.825 48 G HN 0.306 8.595 8.290 -0.001 0.000 0.538 49 R N -1.535 118.964 120.500 -0.001 0.000 2.709 49 R HA 0.297 4.636 4.340 -0.001 0.000 0.270 49 R C -1.408 174.892 176.300 -0.001 0.000 1.038 49 R CA -0.805 55.294 56.100 -0.001 0.000 0.872 49 R CB 1.239 31.538 30.300 -0.001 0.000 1.259 49 R HN -0.109 8.160 8.270 -0.001 0.000 0.473 50 G N 0.588 109.388 108.800 -0.001 0.000 2.697 50 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.684 50 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.684 50 G C -1.835 173.064 174.900 -0.001 0.000 1.274 50 G CA -0.783 44.316 45.100 -0.001 0.000 0.806 50 G HN 0.229 8.519 8.290 -0.000 0.000 0.644 51 S N 1.064 116.764 115.700 -0.000 0.000 2.605 51 S HA 0.520 4.990 4.470 -0.000 0.000 0.308 51 S C -0.832 173.768 174.600 -0.000 0.000 1.113 51 S CA -0.284 57.916 58.200 -0.000 0.000 1.049 51 S CB 1.390 64.591 63.200 0.001 0.000 1.001 51 S HN 0.017 8.327 8.310 -0.000 0.000 0.480 52 S N 2.333 118.033 115.700 -0.000 0.000 2.638 52 S HA 0.409 4.879 4.470 0.000 0.000 0.274 52 S C -1.299 173.301 174.600 -0.000 0.000 1.157 52 S CA -0.165 58.035 58.200 -0.000 0.000 0.826 52 S CB 1.142 64.341 63.200 -0.001 0.000 1.139 52 S HN 0.254 8.563 8.310 -0.001 0.000 0.474 53 G N 1.058 109.858 108.800 -0.000 0.000 2.405 53 G HA2 0.425 4.384 3.960 -0.001 0.000 0.312 53 G HA3 0.425 4.386 3.960 0.001 0.000 0.312 53 G C -2.075 172.825 174.900 0.001 0.000 1.579 53 G CA -0.312 44.788 45.100 0.000 0.000 0.933 53 G HN 0.377 8.667 8.290 0.000 0.000 0.628 54 S N 0.830 116.530 115.700 0.000 0.000 2.732 54 S HA 0.784 5.255 4.470 0.002 0.000 0.293 54 S C -1.214 173.387 174.600 0.002 0.000 1.159 54 S CA -0.753 57.448 58.200 0.001 0.000 0.847 54 S CB 1.824 65.024 63.200 0.001 0.000 1.169 54 S HN 0.428 8.738 8.310 -0.001 0.000 0.501 55 S N -0.572 115.130 115.700 0.003 0.000 2.567 55 S HA 0.591 5.063 4.470 0.003 0.000 0.270 55 S C -1.920 172.684 174.600 0.006 0.000 1.152 55 S CA -0.400 57.803 58.200 0.005 0.000 0.835 55 S CB 1.536 64.741 63.200 0.008 0.000 1.115 55 S HN 0.620 8.932 8.310 0.004 0.000 0.459 56 G N 1.244 110.049 108.800 0.008 0.000 2.349 56 G HA2 0.441 4.407 3.960 0.010 0.000 0.294 56 G HA3 0.441 4.405 3.960 0.007 0.000 0.294 56 G C -2.534 172.372 174.900 0.011 0.000 1.380 56 G CA -0.749 44.356 45.100 0.009 0.000 0.811 56 G HN 0.508 8.803 8.290 0.008 0.000 0.519 57 S N -1.148 114.559 115.700 0.012 0.000 2.614 57 S HA 0.113 4.592 4.470 0.014 0.000 0.259 57 S C -1.142 173.466 174.600 0.013 0.000 1.118 57 S CA -0.123 58.086 58.200 0.015 0.000 1.065 57 S CB 1.821 65.033 63.200 0.020 0.000 1.121 57 S HN -0.146 8.170 8.310 0.011 0.000 0.458 58 S N 4.626 120.332 115.700 0.011 0.000 2.554 58 S HA 0.198 4.673 4.470 0.009 0.000 0.278 58 S C -0.043 174.564 174.600 0.011 0.000 1.242 58 S CA -0.067 58.139 58.200 0.009 0.000 1.051 58 S CB 0.674 63.878 63.200 0.006 0.000 0.986 58 S HN 0.092 8.408 8.310 0.010 0.000 0.502 59 G N 1.002 109.808 108.800 0.011 0.000 2.495 59 G HA2 0.255 4.223 3.960 0.014 0.000 0.318 59 G HA3 0.255 4.223 3.960 0.013 0.000 0.318 59 G C -1.294 173.612 174.900 0.010 0.000 1.257 59 G CA -0.095 45.012 45.100 0.012 0.000 0.962 59 G HN 0.123 8.419 8.290 0.010 0.000 0.483 60 S N 0.800 116.506 115.700 0.010 0.000 2.605 60 S HA 0.054 4.529 4.470 0.007 0.000 0.279 60 S C -0.551 174.054 174.600 0.008 0.000 1.166 60 S CA 0.108 58.312 58.200 0.008 0.000 0.975 60 S CB 2.195 65.399 63.200 0.006 0.000 1.111 60 S HN 0.105 8.422 8.310 0.012 0.000 0.465 61 S N 3.338 119.043 115.700 0.007 0.000 2.652 61 S HA 0.252 4.728 4.470 0.009 0.000 0.270 61 S C -0.373 174.230 174.600 0.006 0.000 1.243 61 S CA -0.229 57.975 58.200 0.007 0.000 0.999 61 S CB 1.152 64.356 63.200 0.007 0.000 0.973 61 S HN 0.072 8.387 8.310 0.007 0.000 0.544 62 G N 0.677 109.480 108.800 0.005 0.000 3.064 62 G HA2 0.144 4.106 3.960 0.003 0.000 0.151 62 G HA3 0.144 4.106 3.960 0.004 0.000 0.151 62 G C -2.297 172.605 174.900 0.003 0.000 1.489 62 G CA -0.047 45.056 45.100 0.004 0.000 1.066 62 G HN 0.466 8.760 8.290 0.006 0.000 0.740 63 P HA 0.437 4.858 4.420 0.002 0.000 0.274 63 P C -1.575 175.726 177.300 0.003 0.000 1.260 63 P CA 0.343 63.444 63.100 0.002 0.000 0.793 63 P CB 1.397 33.099 31.700 0.002 0.000 1.048 64 T N -0.016 114.539 114.554 0.002 0.000 2.856 64 T HA 0.251 4.603 4.350 0.003 0.000 0.283 64 T C -2.150 172.551 174.700 0.001 0.000 1.008 64 T CA -2.383 59.718 62.100 0.002 0.000 0.997 64 T CB 0.886 69.755 68.868 0.001 0.000 0.992 64 T HN -0.099 8.142 8.240 0.001 0.000 0.454 65 P HA 0.233 4.654 4.420 0.002 0.000 0.271 65 P C -1.080 176.220 177.300 -0.001 0.000 1.220 65 P CA -0.342 62.759 63.100 0.001 0.000 0.768 65 P CB 0.562 32.263 31.700 0.002 0.000 0.848 66 K N 3.223 123.622 120.400 -0.002 0.000 2.245 66 K HA 0.219 4.538 4.320 -0.003 0.000 0.234 66 K C -0.783 175.814 176.600 -0.005 0.000 1.021 66 K CA -1.269 55.016 56.287 -0.003 0.000 0.898 66 K CB 1.314 33.812 32.500 -0.004 0.000 1.163 66 K HN -0.040 8.209 8.250 -0.001 0.000 0.459 67 T N 2.664 117.215 114.554 -0.006 0.000 2.794 67 T HA 0.053 4.398 4.350 -0.008 0.000 0.296 67 T C -0.461 174.233 174.700 -0.010 0.000 0.949 67 T CA 0.572 62.667 62.100 -0.008 0.000 1.101 67 T CB 0.131 68.993 68.868 -0.009 0.000 0.905 67 T HN -0.004 8.233 8.240 -0.006 0.000 0.516 68 E N 3.721 123.915 120.200 -0.011 0.000 2.246 68 E HA 0.248 4.590 4.350 -0.013 0.000 0.266 68 E C -0.767 175.823 176.600 -0.016 0.000 0.880 68 E CA -0.988 55.404 56.400 -0.012 0.000 0.762 68 E CB 1.002 30.696 29.700 -0.010 0.000 1.180 68 E HN 0.140 8.494 8.360 -0.011 0.000 0.416 69 L N 2.305 123.517 121.223 -0.019 0.000 2.453 69 L HA 0.004 4.328 4.340 -0.027 0.000 0.283 69 L C -1.153 175.701 176.870 -0.027 0.000 1.284 69 L CA 0.598 55.423 54.840 -0.026 0.000 0.822 69 L CB 0.350 42.391 42.059 -0.029 0.000 1.081 69 L HN 0.470 8.689 8.230 -0.018 0.000 0.562 70 V N -1.073 118.819 119.914 -0.036 0.000 3.147 70 V HA 0.247 4.353 4.120 -0.024 0.000 0.306 70 V C -1.697 174.362 176.094 -0.060 0.000 1.209 70 V CA -1.492 60.787 62.300 -0.035 0.000 1.023 70 V CB 3.203 35.008 31.823 -0.031 0.000 1.059 70 V HN -0.338 7.826 8.190 -0.044 0.000 0.435 71 Q N 4.997 124.770 119.800 -0.045 0.000 2.325 71 Q HA 0.343 4.560 4.340 -0.205 0.000 0.262 71 Q C -1.496 174.425 176.000 -0.132 0.000 0.968 71 Q CA -1.207 54.528 55.803 -0.113 0.000 0.877 71 Q CB 1.975 30.735 28.738 0.036 0.000 1.253 71 Q HN 0.217 8.482 8.270 -0.008 0.000 0.448 72 K N 3.419 123.621 120.400 -0.330 0.000 2.323 72 K HA 0.836 5.391 4.320 -0.023 -0.249 0.259 72 K C -0.837 175.504 176.600 -0.432 0.000 0.947 72 K CA -1.265 54.895 56.287 -0.213 0.000 0.819 72 K CB 2.333 34.760 32.500 -0.122 0.000 1.109 72 K HN 0.259 8.261 8.250 -0.414 0.000 0.429 73 F N 1.975 121.914 119.950 -0.018 0.000 2.579 73 F HA 0.165 4.694 4.527 0.003 0.000 0.324 73 F C -0.730 175.092 175.800 0.037 0.000 1.058 73 F CA -1.653 56.348 58.000 0.001 0.000 0.944 73 F CB 3.471 42.461 39.000 -0.017 0.000 1.245 73 F HN 0.108 8.567 8.300 0.266 0.000 0.477 74 R N 3.357 124.005 120.500 0.245 0.000 2.229 74 R HA 0.680 5.323 4.340 0.184 -0.192 0.328 74 R C -1.095 175.363 176.300 0.264 0.000 1.009 74 R CA -0.945 55.280 56.100 0.209 0.000 0.864 74 R CB 0.181 30.580 30.300 0.166 0.000 1.085 74 R HN 0.394 8.818 8.270 0.257 0.000 0.453 75 V N -0.339 119.748 119.914 0.287 0.000 3.242 75 V HA 0.856 5.339 4.120 0.413 -0.115 0.298 75 V C -2.315 174.034 176.094 0.425 0.000 1.352 75 V CA -2.252 60.276 62.300 0.380 0.000 1.052 75 V CB 3.402 35.457 31.823 0.388 0.000 1.101 75 V HN 0.387 8.731 8.190 0.256 0.000 0.446 76 Q N -1.280 118.828 119.800 0.513 0.000 2.204 76 Q HA 0.355 5.068 4.340 0.422 -0.120 0.254 76 Q C -1.585 174.710 176.000 0.492 0.000 0.981 76 Q CA -1.227 54.866 55.803 0.482 0.000 0.897 76 Q CB 3.620 32.671 28.738 0.521 0.000 1.273 76 Q HN -0.110 8.509 8.270 0.581 0.000 0.464 77 Y N 1.797 122.213 120.300 0.192 0.000 2.464 77 Y HA 0.257 4.569 4.550 -0.396 0.000 0.326 77 Y C -1.222 174.537 175.900 -0.235 0.000 0.969 77 Y CA -2.519 55.528 58.100 -0.089 0.000 1.270 77 Y CB 0.293 38.794 38.460 0.068 0.000 1.103 77 Y HN -0.285 8.256 8.280 0.435 0.000 0.491 78 L N 7.348 128.179 121.223 -0.654 0.000 2.056 78 L HA -0.195 3.347 4.340 -1.329 0.000 0.207 78 L C 0.096 176.459 176.870 -0.845 0.000 1.078 78 L CA 2.160 56.386 54.840 -1.024 0.000 0.749 78 L CB 0.661 42.040 42.059 -1.133 0.000 0.901 78 L HN -0.374 7.503 8.230 -0.589 0.000 0.433 79 G N -7.055 101.126 108.800 -1.031 0.000 2.369 79 G HA2 -0.158 2.874 3.960 -1.546 0.000 0.295 79 G HA3 -0.158 3.450 3.960 -0.586 0.000 0.295 79 G C -3.478 171.236 174.900 -0.309 0.000 1.298 79 G CA -1.014 43.553 45.100 -0.888 0.000 0.940 79 G HN -0.997 6.764 8.290 -0.882 0.000 0.536 80 M N 1.268 120.770 119.600 -0.164 0.000 2.238 80 M HA 0.191 4.342 4.480 -0.549 0.000 0.350 80 M C -1.960 174.175 176.300 -0.275 0.000 1.138 80 M CA -0.221 54.905 55.300 -0.291 0.000 1.040 80 M CB 1.824 34.337 32.600 -0.145 0.000 1.639 80 M HN 0.137 8.332 8.290 -0.158 0.000 0.451 81 L N 7.013 128.039 121.223 -0.327 0.000 2.349 81 L HA 0.650 4.893 4.340 -0.162 0.000 0.278 81 L C -2.527 174.243 176.870 -0.167 0.000 0.996 81 L CA -4.258 50.459 54.840 -0.206 0.000 0.825 81 L CB 2.688 44.636 42.059 -0.185 0.000 1.243 81 L HN 0.670 8.622 8.230 -0.463 0.000 0.412 82 P HA 0.097 4.483 4.420 -0.056 0.000 0.271 82 P C -0.867 176.416 177.300 -0.029 0.000 1.216 82 P CA -0.631 62.434 63.100 -0.059 0.000 0.776 82 P CB 0.502 32.175 31.700 -0.045 0.000 0.881 83 V N -2.338 117.588 119.914 0.020 0.000 3.155 83 V HA 0.389 4.517 4.120 0.014 0.000 0.313 83 V C -0.809 175.350 176.094 0.110 0.000 1.162 83 V CA -2.405 59.925 62.300 0.049 0.000 1.048 83 V CB 2.847 34.702 31.823 0.052 0.000 1.092 83 V HN -0.599 7.616 8.190 0.041 0.000 0.447 84 D N -0.696 119.765 120.400 0.101 0.000 2.454 84 D HA 0.064 4.797 4.640 0.154 0.000 0.219 84 D C 0.109 176.523 176.300 0.190 0.000 1.081 84 D CA 0.045 54.126 54.000 0.134 0.000 0.867 84 D CB 0.948 41.785 40.800 0.062 0.000 1.054 84 D HN 0.177 8.580 8.370 0.055 0.000 0.500 85 R N -0.971 119.573 120.500 0.074 0.000 2.589 85 R HA 0.329 4.633 4.340 -0.059 0.000 0.293 85 R C -1.785 174.321 176.300 -0.323 0.000 0.963 85 R CA -2.651 53.395 56.100 -0.089 0.000 0.905 85 R CB 1.250 31.474 30.300 -0.126 0.000 1.144 85 R HN -0.612 7.684 8.270 0.043 0.000 0.459 86 P HA -0.010 3.601 4.420 -1.348 0.000 0.223 86 P C -0.971 176.035 177.300 -0.490 0.000 1.151 86 P CA 0.867 63.330 63.100 -1.062 0.000 0.787 86 P CB 0.396 31.366 31.700 -1.216 0.000 0.788 87 V N -6.071 113.584 119.914 -0.431 0.000 3.103 87 V HA 0.330 4.104 4.120 -0.576 0.000 0.311 87 V C -1.809 173.921 176.094 -0.606 0.000 1.322 87 V CA -2.818 59.146 62.300 -0.559 0.000 1.063 87 V CB 3.688 35.216 31.823 -0.491 0.000 1.090 87 V HN -0.929 6.981 8.190 -0.411 0.034 0.462 88 G N -2.456 105.784 108.800 -0.934 0.000 3.363 88 G HA2 -0.157 3.520 3.960 -0.472 0.000 0.685 88 G HA3 -0.157 3.582 3.960 -0.369 0.000 0.685 88 G C 0.070 174.684 174.900 -0.477 0.000 1.199 88 G CA -0.666 44.097 45.100 -0.562 0.000 0.946 88 G HN 0.173 7.492 8.290 -1.619 0.000 0.558 89 M N 1.626 121.051 119.600 -0.292 0.000 2.358 89 M HA -0.330 4.172 4.480 0.035 0.000 0.264 89 M C 0.764 177.035 176.300 -0.048 0.000 1.064 89 M CA 2.677 57.939 55.300 -0.063 0.000 1.093 89 M CB -0.171 32.443 32.600 0.024 0.000 1.401 89 M HN 0.446 8.576 8.290 -0.267 0.000 0.440 90 D N -2.089 118.260 120.400 -0.085 0.000 2.277 90 D HA -0.034 4.586 4.640 -0.033 0.000 0.208 90 D C 2.052 178.316 176.300 -0.060 0.000 0.962 90 D CA 3.058 57.024 54.000 -0.057 0.000 0.865 90 D CB -0.281 40.484 40.800 -0.059 0.000 0.939 90 D HN 0.359 8.617 8.370 -0.123 0.039 0.510 91 T N 3.233 117.731 114.554 -0.094 0.000 2.866 91 T HA -0.163 4.150 4.350 -0.061 0.000 0.250 91 T C 1.360 176.031 174.700 -0.050 0.000 1.033 91 T CA 3.941 65.993 62.100 -0.080 0.000 1.145 91 T CB 0.381 69.179 68.868 -0.117 0.000 0.866 91 T HN -0.509 7.484 8.240 -0.140 0.163 0.434 92 L N 1.607 122.813 121.223 -0.028 0.000 1.994 92 L HA -0.348 3.998 4.340 0.010 0.000 0.208 92 L C 1.119 177.994 176.870 0.008 0.000 1.071 92 L CA 3.240 58.100 54.840 0.033 0.000 0.745 92 L CB 0.050 42.226 42.059 0.194 0.000 0.892 92 L HN -0.214 7.975 8.230 -0.068 0.000 0.431 93 N N -2.429 116.284 118.700 0.021 0.000 2.018 93 N HA -0.451 4.298 4.740 0.016 0.000 0.196 93 N C 1.739 177.242 175.510 -0.011 0.000 1.043 93 N CA 3.584 56.640 53.050 0.011 0.000 0.856 93 N CB -0.324 38.175 38.487 0.020 0.000 1.042 93 N HN -0.586 7.814 8.380 0.033 0.000 0.423 94 S N 0.686 116.375 115.700 -0.018 0.000 2.381 94 S HA -0.374 4.086 4.470 -0.016 0.000 0.230 94 S C 1.704 176.282 174.600 -0.036 0.000 1.052 94 S CA 3.165 61.351 58.200 -0.024 0.000 1.068 94 S CB -0.098 63.086 63.200 -0.027 0.000 0.918 94 S HN -0.655 7.644 8.310 -0.017 0.000 0.448 95 A N 0.869 123.658 122.820 -0.051 0.000 1.908 95 A HA -0.318 3.956 4.320 -0.076 0.000 0.218 95 A C 1.836 179.363 177.584 -0.094 0.000 1.181 95 A CA 2.954 54.943 52.037 -0.079 0.000 0.627 95 A CB -0.742 18.197 19.000 -0.101 0.000 0.818 95 A HN -0.566 7.554 8.150 -0.045 0.003 0.445 96 I N -0.752 119.769 120.570 -0.082 0.000 2.069 96 I HA -0.721 3.365 4.170 -0.140 0.000 0.237 96 I C 1.830 177.913 176.117 -0.058 0.000 1.053 96 I CA 4.261 65.509 61.300 -0.087 0.000 1.311 96 I CB -0.453 37.519 38.000 -0.045 0.000 1.030 96 I HN -0.278 7.793 8.210 -0.063 0.101 0.398 97 E N -1.891 118.296 120.200 -0.021 0.000 2.171 97 E HA -0.457 3.909 4.350 0.027 0.000 0.197 97 E C 2.789 179.384 176.600 -0.008 0.000 0.997 97 E CA 3.131 59.533 56.400 0.003 0.000 0.810 97 E CB -0.861 28.845 29.700 0.009 0.000 0.738 97 E HN -0.524 7.826 8.360 -0.017 0.000 0.467 98 N N 0.199 118.878 118.700 -0.034 0.000 2.058 98 N HA -0.213 4.512 4.740 -0.025 0.000 0.191 98 N C 2.557 178.037 175.510 -0.050 0.000 1.037 98 N CA 2.906 55.932 53.050 -0.041 0.000 0.848 98 N CB 0.000 38.453 38.487 -0.057 0.000 1.021 98 N HN -0.601 7.629 8.380 -0.043 0.124 0.422 99 L N -0.707 120.460 121.223 -0.092 0.000 2.156 99 L HA -0.356 3.919 4.340 -0.108 0.000 0.208 99 L C 2.063 178.902 176.870 -0.051 0.000 1.095 99 L CA 3.062 57.826 54.840 -0.127 0.000 0.770 99 L CB -0.378 41.530 42.059 -0.252 0.000 0.914 99 L HN 0.013 8.176 8.230 -0.110 0.000 0.439 100 M N -2.184 117.407 119.600 -0.016 0.000 2.080 100 M HA -0.389 4.243 4.480 0.253 0.000 0.260 100 M C 2.268 178.676 176.300 0.180 0.000 1.068 100 M CA 4.054 59.440 55.300 0.144 0.000 1.109 100 M CB 0.027 32.708 32.600 0.134 0.000 1.342 100 M HN 0.282 8.526 8.290 -0.050 0.016 0.405 101 T N -3.579 111.027 114.554 0.086 0.000 2.995 101 T HA -0.135 4.257 4.350 0.069 0.000 0.269 101 T C 1.432 176.163 174.700 0.053 0.000 1.091 101 T CA 2.487 64.624 62.100 0.062 0.000 1.128 101 T CB 0.211 69.097 68.868 0.031 0.000 0.891 101 T HN -0.409 7.861 8.240 0.051 0.000 0.492 102 S N 1.605 117.333 115.700 0.047 0.000 2.348 102 S HA -0.155 4.322 4.470 0.012 0.000 0.221 102 S C 0.116 174.752 174.600 0.061 0.000 1.033 102 S CA 2.106 60.324 58.200 0.029 0.000 1.010 102 S CB 0.618 63.814 63.200 -0.007 0.000 0.891 102 S HN -0.571 7.620 8.310 0.038 0.142 0.442 103 S N -1.525 114.268 115.700 0.154 0.000 2.599 103 S HA 0.253 4.760 4.470 0.062 0.000 0.294 103 S C -1.169 173.538 174.600 0.177 0.000 1.094 103 S CA -0.862 57.443 58.200 0.175 0.000 0.931 103 S CB 2.771 66.125 63.200 0.257 0.000 1.093 103 S HN -0.471 7.963 8.310 0.206 0.000 0.488 104 S N 1.457 117.076 115.700 -0.135 0.000 2.641 104 S HA 0.089 4.415 4.470 -0.241 0.000 0.261 104 S C 1.126 175.011 174.600 -1.192 0.000 1.257 104 S CA -0.333 57.631 58.200 -0.394 0.000 0.983 104 S CB 0.946 63.951 63.200 -0.325 0.000 0.990 104 S HN 0.236 8.581 8.310 -0.128 -0.112 0.572 105 K N 1.578 121.217 120.400 -1.268 0.000 2.097 105 K HA -0.256 1.643 4.320 -4.035 0.000 0.205 105 K C 0.888 176.699 176.600 -1.315 0.000 1.050 105 K CA 2.920 58.031 56.287 -1.959 0.000 0.938 105 K CB -0.099 31.747 32.500 -1.090 0.000 0.718 105 K HN 0.508 8.299 8.250 -0.766 0.000 0.442 106 E N -3.623 116.122 120.200 -0.759 0.000 2.299 106 E HA -0.109 4.020 4.350 -0.369 0.000 0.193 106 E C 0.053 176.445 176.600 -0.346 0.000 0.998 106 E CA 1.834 57.974 56.400 -0.434 0.000 0.851 106 E CB 0.100 29.629 29.700 -0.285 0.000 0.795 106 E HN -0.117 7.843 8.360 -0.667 0.000 0.492 107 D N -1.588 118.544 120.400 -0.447 0.000 2.178 107 D HA -0.139 4.422 4.640 -0.133 0.000 0.201 107 D C 0.022 176.303 176.300 -0.031 0.000 0.980 107 D CA 1.828 55.700 54.000 -0.214 0.000 0.842 107 D CB -0.140 40.560 40.800 -0.167 0.000 0.948 107 D HN -0.199 7.643 8.370 -0.637 0.146 0.472 108 W N -0.258 120.998 121.300 -0.073 0.000 2.469 108 W HA 0.139 4.748 4.660 -0.085 0.000 0.321 108 W C -1.708 174.815 176.519 0.007 0.000 1.415 108 W CA -3.567 53.747 57.345 -0.052 0.000 1.308 108 W CB -1.471 27.963 29.460 -0.042 0.000 1.368 108 W HN -0.638 7.083 8.180 -0.738 0.017 0.546 109 P HA 0.058 4.561 4.420 0.138 0.000 0.271 109 P C -0.495 176.950 177.300 0.241 0.000 1.220 109 P CA -0.452 62.764 63.100 0.194 0.000 0.768 109 P CB 0.893 32.701 31.700 0.181 0.000 0.848 110 S N 3.044 118.858 115.700 0.190 0.000 2.509 110 S HA -0.136 4.483 4.470 0.248 0.000 0.287 110 S C -0.438 174.284 174.600 0.204 0.000 1.248 110 S CA 1.269 59.590 58.200 0.202 0.000 1.089 110 S CB 0.079 63.367 63.200 0.147 0.000 0.900 110 S HN 0.161 8.557 8.310 0.144 0.000 0.496 111 V N 1.345 121.409 119.914 0.249 0.000 3.182 111 V HA 0.317 4.539 4.120 0.170 0.000 0.311 111 V C -1.824 174.382 176.094 0.185 0.000 1.221 111 V CA -3.007 59.423 62.300 0.216 0.000 1.060 111 V CB 2.542 34.525 31.823 0.266 0.000 1.164 111 V HN 0.648 8.918 8.190 0.299 0.100 0.466 112 N N -1.263 117.516 118.700 0.131 0.000 2.310 112 N HA 0.522 5.519 4.740 0.141 -0.172 0.292 112 N C -2.031 173.516 175.510 0.061 0.000 1.049 112 N CA -0.730 52.384 53.050 0.106 0.000 0.849 112 N CB 4.284 42.815 38.487 0.073 0.000 1.532 112 N HN 0.269 8.715 8.380 0.111 0.000 0.479 113 M N 3.274 122.923 119.600 0.081 0.000 2.135 113 M HA 0.008 4.438 4.480 -0.083 0.000 0.345 113 M C -1.877 174.466 176.300 0.072 0.000 1.340 113 M CA 0.231 55.543 55.300 0.020 0.000 1.162 113 M CB 1.173 33.782 32.600 0.014 0.000 1.570 113 M HN 0.373 8.753 8.290 0.151 0.000 0.454 114 N N 8.036 126.735 118.700 -0.001 0.000 2.521 114 N HA 0.216 5.084 4.740 0.022 -0.115 0.236 114 N C -1.429 174.075 175.510 -0.011 0.000 1.067 114 N CA -0.811 52.240 53.050 0.001 0.000 0.939 114 N CB 0.334 38.808 38.487 -0.021 0.000 1.201 114 N HN 0.260 8.613 8.380 -0.044 0.000 0.511 115 V N 7.907 127.842 119.914 0.036 0.000 2.334 115 V HA 0.432 4.744 4.120 -0.035 -0.213 0.267 115 V C -2.093 174.004 176.094 0.006 0.000 1.040 115 V CA -0.790 61.519 62.300 0.015 0.000 0.866 115 V CB 0.121 31.984 31.823 0.067 0.000 1.019 115 V HN 0.735 8.978 8.190 0.088 0.000 0.468 116 A N 6.232 129.042 122.820 -0.016 0.000 2.549 116 A HA 0.374 4.689 4.320 -0.009 0.000 0.297 116 A C -1.726 175.850 177.584 -0.014 0.000 1.061 116 A CA -1.227 50.802 52.037 -0.014 0.000 0.690 116 A CB 3.550 22.540 19.000 -0.016 0.000 1.287 116 A HN 0.043 8.175 8.150 -0.030 0.000 0.402 117 D N 0.832 121.227 120.400 -0.008 0.000 2.702 117 D HA -0.424 4.216 4.640 -0.000 0.000 0.233 117 D C -0.339 175.963 176.300 0.003 0.000 1.164 117 D CA 1.367 55.366 54.000 -0.001 0.000 0.638 117 D CB -0.557 40.244 40.800 0.002 0.000 1.041 117 D HN 0.566 8.931 8.370 -0.008 0.000 0.422 118 A N -7.915 114.902 122.820 -0.005 0.000 2.791 118 A HA -0.423 3.884 4.320 -0.021 0.000 0.292 118 A C -1.597 175.982 177.584 -0.007 0.000 1.487 118 A CA 1.321 53.355 52.037 -0.005 0.000 0.760 118 A CB -1.083 17.928 19.000 0.018 0.000 1.031 118 A HN 0.117 8.252 8.150 -0.011 0.008 0.503 119 T N -0.793 113.742 114.554 -0.032 0.000 2.879 119 T HA 0.206 4.528 4.350 -0.047 0.000 0.290 119 T C -1.640 173.002 174.700 -0.097 0.000 0.993 119 T CA -0.681 61.387 62.100 -0.053 0.000 0.975 119 T CB 2.605 71.448 68.868 -0.041 0.000 0.981 119 T HN -0.181 7.941 8.240 -0.033 0.098 0.439 120 V N 8.642 128.464 119.914 -0.154 0.000 2.288 120 V HA 0.168 4.172 4.120 -0.193 0.000 0.266 120 V C -1.330 174.648 176.094 -0.194 0.000 1.048 120 V CA -1.496 60.667 62.300 -0.229 0.000 0.842 120 V CB -1.270 30.291 31.823 -0.436 0.000 1.064 120 V HN 0.815 8.831 8.190 -0.148 0.085 0.472 121 T N 10.074 124.543 114.554 -0.141 0.000 2.809 121 T HA 0.359 4.763 4.350 -0.121 -0.127 0.296 121 T C -1.024 173.611 174.700 -0.108 0.000 1.015 121 T CA -0.788 61.244 62.100 -0.113 0.000 0.954 121 T CB 1.622 70.444 68.868 -0.077 0.000 0.950 121 T HN 0.308 8.476 8.240 -0.120 0.000 0.450 122 V N 9.757 129.596 119.914 -0.124 0.000 2.364 122 V HA -0.040 4.175 4.120 -0.106 -0.159 0.252 122 V C -0.887 175.181 176.094 -0.044 0.000 1.075 122 V CA 0.742 62.981 62.300 -0.102 0.000 1.033 122 V CB -0.897 30.859 31.823 -0.111 0.000 1.116 122 V HN 0.250 8.359 8.190 -0.134 0.000 0.488 123 I N 8.043 128.605 120.570 -0.014 0.000 2.365 123 I HA 0.123 4.295 4.170 0.003 0.000 0.291 123 I C -0.348 175.794 176.117 0.042 0.000 1.004 123 I CA -1.781 59.524 61.300 0.008 0.000 1.311 123 I CB 0.148 38.151 38.000 0.004 0.000 1.401 123 I HN 0.195 8.394 8.210 -0.017 0.000 0.491 124 S N 5.882 121.613 115.700 0.051 0.000 2.563 124 S HA -0.286 4.246 4.470 0.104 0.000 0.269 124 S C 0.698 175.341 174.600 0.070 0.000 1.364 124 S CA 0.734 58.980 58.200 0.076 0.000 1.010 124 S CB 0.852 64.095 63.200 0.070 0.000 0.877 124 S HN 0.422 8.756 8.310 0.040 0.000 0.549 125 E N 5.074 125.324 120.200 0.084 0.000 2.007 125 E HA -0.286 4.108 4.350 0.073 0.000 0.194 125 E C 1.005 177.636 176.600 0.052 0.000 0.999 125 E CA 2.866 59.310 56.400 0.073 0.000 0.811 125 E CB 0.050 29.799 29.700 0.083 0.000 0.762 125 E HN 0.093 8.512 8.360 0.099 0.000 0.450 126 K N -3.271 117.159 120.400 0.049 0.000 2.044 126 K HA -0.086 4.253 4.320 0.032 0.000 0.204 126 K C 1.030 177.649 176.600 0.031 0.000 1.045 126 K CA 0.786 57.095 56.287 0.036 0.000 0.951 126 K CB -0.020 32.501 32.500 0.035 0.000 0.738 126 K HN -0.374 7.909 8.250 0.056 0.000 0.443 127 N N 1.474 120.195 118.700 0.036 0.000 2.497 127 N HA -0.025 4.729 4.740 0.025 0.000 0.268 127 N C -0.699 174.827 175.510 0.026 0.000 1.171 127 N CA 0.789 53.857 53.050 0.030 0.000 0.948 127 N CB 0.153 38.661 38.487 0.035 0.000 1.069 127 N HN -0.558 7.848 8.380 0.043 0.000 0.460 128 E N 3.555 123.766 120.200 0.018 0.000 2.389 128 E HA -0.043 4.315 4.350 0.014 0.000 0.199 128 E C 0.100 176.705 176.600 0.008 0.000 0.978 128 E CA 1.335 57.743 56.400 0.012 0.000 0.912 128 E CB 0.762 30.466 29.700 0.007 0.000 0.907 128 E HN 0.371 8.741 8.360 0.016 0.000 0.494 129 E N -0.937 119.269 120.200 0.010 0.000 2.451 129 E HA 0.050 4.402 4.350 0.003 0.000 0.194 129 E C -0.251 176.356 176.600 0.011 0.000 1.027 129 E CA 0.077 56.481 56.400 0.008 0.000 0.914 129 E CB 0.190 29.895 29.700 0.007 0.000 1.054 129 E HN 0.023 8.391 8.360 0.013 0.000 0.461 130 E N 0.272 120.481 120.200 0.016 0.000 2.112 130 E HA -0.135 4.230 4.350 0.024 0.000 0.190 130 E C -0.084 176.526 176.600 0.015 0.000 0.979 130 E CA 0.784 57.198 56.400 0.023 0.000 0.814 130 E CB -0.168 29.554 29.700 0.036 0.000 0.762 130 E HN -0.195 8.084 8.360 0.017 0.091 0.460 131 V N -0.915 119.002 119.914 0.004 0.000 5.359 131 V HA -0.375 3.731 4.120 -0.022 0.000 0.278 131 V C -0.188 175.897 176.094 -0.016 0.000 0.622 131 V CA 0.839 63.132 62.300 -0.013 0.000 0.649 131 V CB -1.370 30.442 31.823 -0.017 0.000 0.408 131 V HN -0.064 8.130 8.190 0.006 0.000 0.918 132 L N -4.104 117.116 121.223 -0.005 0.000 2.082 132 L HA -0.350 4.014 4.340 0.041 0.000 0.223 132 L C 0.435 177.273 176.870 -0.054 0.000 1.086 132 L CA 2.335 57.175 54.840 -0.000 0.000 0.793 132 L CB 0.102 42.165 42.059 0.007 0.000 0.896 132 L HN -0.210 8.020 8.230 0.008 0.005 0.441 133 V N -4.838 115.005 119.914 -0.118 0.000 2.841 133 V HA 0.118 4.174 4.120 -0.106 0.000 0.310 133 V C -1.916 174.108 176.094 -0.117 0.000 1.090 133 V CA -1.012 61.195 62.300 -0.155 0.000 0.930 133 V CB 3.357 34.984 31.823 -0.326 0.000 1.014 133 V HN -0.855 7.264 8.190 -0.110 0.005 0.425 134 E N 4.633 124.774 120.200 -0.098 0.000 2.220 134 E HA 0.140 4.431 4.350 -0.099 0.000 0.256 134 E C -1.592 174.949 176.600 -0.097 0.000 0.881 134 E CA -1.018 55.326 56.400 -0.094 0.000 0.766 134 E CB 1.601 31.252 29.700 -0.082 0.000 1.187 134 E HN 0.205 8.512 8.360 -0.087 0.000 0.419 135 C N 4.372 123.607 119.300 -0.108 0.000 2.563 135 C HA 0.263 4.672 4.460 -0.085 0.000 0.314 135 C C -1.728 173.180 174.990 -0.136 0.000 1.199 135 C CA -2.266 56.694 59.018 -0.098 0.000 1.564 135 C CB 3.318 31.028 27.740 -0.050 0.000 2.173 135 C HN 1.046 9.102 8.230 -0.124 0.100 0.485 136 R N 5.652 126.078 120.500 -0.122 0.000 2.393 136 R HA 0.191 4.505 4.340 -0.043 0.000 0.315 136 R C 0.155 176.537 176.300 0.136 0.000 0.952 136 R CA -1.406 54.678 56.100 -0.027 0.000 0.842 136 R CB 1.724 31.955 30.300 -0.115 0.000 1.163 136 R HN 0.247 8.439 8.270 -0.130 0.000 0.450 137 V N 5.863 125.818 119.914 0.067 0.000 2.278 137 V HA -0.441 3.694 4.120 0.025 0.000 0.251 137 V C 1.109 177.312 176.094 0.181 0.000 1.062 137 V CA 3.048 65.392 62.300 0.074 0.000 1.038 137 V CB -0.024 31.811 31.823 0.021 0.000 0.646 137 V HN -0.015 8.182 8.190 0.012 0.000 0.447 138 R N -4.200 116.437 120.500 0.228 0.000 2.185 138 R HA -0.382 4.031 4.340 0.122 0.000 0.247 138 R C 1.001 177.385 176.300 0.140 0.000 1.159 138 R CA 2.785 58.991 56.100 0.176 0.000 0.988 138 R CB -0.109 30.278 30.300 0.145 0.000 0.871 138 R HN -0.197 8.202 8.270 0.218 0.001 0.458 139 F N -3.718 116.290 119.950 0.098 0.000 2.446 139 F HA -0.015 4.618 4.527 0.176 0.000 0.292 139 F C 1.213 177.149 175.800 0.228 0.000 1.096 139 F CA 0.401 58.498 58.000 0.162 0.000 1.438 139 F CB 0.616 39.676 39.000 0.100 0.000 1.107 139 F HN -0.402 8.137 8.300 0.692 0.176 0.546 140 L N 1.294 122.709 121.223 0.321 0.000 2.667 140 L HA -0.308 4.283 4.340 0.210 -0.125 0.278 140 L C -0.109 176.821 176.870 0.100 0.000 1.217 140 L CA 1.049 56.003 54.840 0.191 0.000 0.935 140 L CB 0.405 42.530 42.059 0.110 0.000 1.193 140 L HN -0.322 7.986 8.230 0.311 0.108 0.493 141 S N 5.611 121.275 115.700 -0.060 0.000 2.355 141 S HA -0.051 4.162 4.470 -0.428 0.000 0.216 141 S C -0.925 173.667 174.600 -0.014 0.000 1.037 141 S CA 2.207 60.211 58.200 -0.327 0.000 0.955 141 S CB 1.150 63.920 63.200 -0.717 0.000 0.877 141 S HN -0.297 8.021 8.310 0.012 0.000 0.488 142 F N -0.599 119.299 119.950 -0.087 0.000 2.599 142 F HA 0.872 5.592 4.527 0.035 -0.172 0.311 142 F C -2.662 173.196 175.800 0.096 0.000 1.076 142 F CA -1.558 56.441 58.000 -0.002 0.000 0.937 142 F CB 4.199 43.159 39.000 -0.067 0.000 1.282 142 F HN -1.004 7.375 8.300 0.132 0.000 0.460 143 M N -0.877 118.124 119.600 -0.999 0.000 2.520 143 M HA 0.431 4.795 4.480 -0.193 0.000 0.280 143 M C -2.921 172.926 176.300 -0.755 0.000 1.232 143 M CA -0.332 54.654 55.300 -0.525 0.000 0.892 143 M CB 3.844 36.414 32.600 -0.050 0.000 1.728 143 M HN -0.031 7.319 8.290 -1.566 0.000 0.475 144 G N -2.945 105.738 108.800 -0.196 0.000 2.495 144 G HA2 0.487 4.430 3.960 -0.029 0.000 0.294 144 G HA3 0.487 4.443 3.960 -0.008 0.000 0.294 144 G C -3.023 171.964 174.900 0.146 0.000 1.397 144 G CA 0.279 45.365 45.100 -0.023 0.000 0.790 144 G HN -0.261 8.009 8.290 -0.032 0.000 0.486 145 V N -3.787 116.204 119.914 0.129 0.000 2.975 145 V HA 0.496 4.726 4.120 0.183 0.000 0.318 145 V C -1.079 175.062 176.094 0.077 0.000 1.077 145 V CA -3.509 58.868 62.300 0.128 0.000 1.000 145 V CB 2.504 34.369 31.823 0.071 0.000 1.066 145 V HN -0.302 7.938 8.190 0.083 0.000 0.452 146 G N -1.111 107.723 108.800 0.055 0.000 2.543 146 G HA2 0.242 4.427 3.960 0.048 0.000 0.290 146 G HA3 0.242 4.224 3.960 0.037 0.000 0.290 146 G C -0.501 174.422 174.900 0.037 0.000 1.310 146 G CA -1.324 43.801 45.100 0.043 0.000 1.025 146 G HN -0.461 7.862 8.290 0.055 0.000 0.502 147 K N -2.167 118.257 120.400 0.041 0.000 2.242 147 K HA -0.290 4.051 4.320 0.034 0.000 0.206 147 K C -0.575 176.051 176.600 0.044 0.000 1.045 147 K CA 2.364 58.676 56.287 0.040 0.000 0.930 147 K CB -0.420 32.107 32.500 0.045 0.000 0.726 147 K HN -0.009 8.318 8.250 0.041 -0.051 0.462 148 D N -0.120 120.310 120.400 0.051 0.000 2.256 148 D HA 0.229 4.915 4.640 0.076 0.000 0.246 148 D C 0.886 177.188 176.300 0.004 0.000 1.042 148 D CA -1.508 52.533 54.000 0.069 0.000 0.841 148 D CB 3.392 44.266 40.800 0.123 0.000 1.223 148 D HN -0.723 7.640 8.370 0.050 0.038 0.470 149 V N 3.434 123.319 119.914 -0.048 0.000 2.392 149 V HA -0.344 3.700 4.120 -0.127 0.000 0.249 149 V C 0.033 175.959 176.094 -0.280 0.000 1.059 149 V CA 3.264 65.457 62.300 -0.178 0.000 1.051 149 V CB -0.556 31.113 31.823 -0.257 0.000 0.658 149 V HN 0.497 8.682 8.190 -0.009 0.000 0.455 150 H N -3.330 115.533 119.070 -0.344 0.000 2.460 150 H HA -0.144 4.070 4.556 -0.571 0.000 0.297 150 H C 0.588 175.455 175.328 -0.769 0.000 1.103 150 H CA 2.407 58.025 56.048 -0.716 0.000 1.292 150 H CB -0.397 28.680 29.762 -1.141 0.000 1.376 150 H HN -0.049 8.125 8.280 -0.152 0.015 0.531 151 T N -2.042 112.327 114.554 -0.308 0.000 2.771 151 T HA 0.170 4.455 4.350 -0.107 0.000 0.291 151 T C -1.196 173.545 174.700 0.068 0.000 0.954 151 T CA -0.422 61.615 62.100 -0.104 0.000 1.045 151 T CB 0.690 69.552 68.868 -0.010 0.000 0.917 151 T HN -0.565 7.408 8.240 -0.198 0.148 0.484 152 F N 7.602 127.540 119.950 -0.021 0.000 2.536 152 F HA 0.333 4.857 4.527 -0.004 0.000 0.322 152 F C -3.322 172.573 175.800 0.158 0.000 1.144 152 F CA -1.947 56.076 58.000 0.038 0.000 0.924 152 F CB 3.367 42.379 39.000 0.020 0.000 1.181 152 F HN 0.668 9.086 8.300 0.197 0.000 0.438 153 A N 6.999 129.594 122.820 -0.375 0.000 2.437 153 A HA 1.089 5.278 4.320 -0.455 -0.141 0.292 153 A C -2.318 175.032 177.584 -0.389 0.000 1.173 153 A CA -2.257 49.522 52.037 -0.430 0.000 0.785 153 A CB 3.913 22.786 19.000 -0.211 0.000 1.351 153 A HN 0.305 8.417 8.150 -0.063 0.000 0.431 154 F N -6.389 113.431 119.950 -0.217 0.000 2.688 154 F HA 0.359 4.830 4.527 -0.094 0.000 0.308 154 F C -3.219 172.610 175.800 0.050 0.000 1.117 154 F CA -0.889 57.047 58.000 -0.107 0.000 0.976 154 F CB 2.150 41.052 39.000 -0.164 0.000 1.291 154 F HN -0.078 7.861 8.300 -0.601 0.000 0.439 155 I N 1.981 122.746 120.570 0.325 0.000 2.359 155 I HA 0.716 5.206 4.170 0.172 -0.217 0.294 155 I C -0.676 175.658 176.117 0.362 0.000 0.987 155 I CA -1.123 60.338 61.300 0.268 0.000 1.225 155 I CB 2.051 40.176 38.000 0.209 0.000 1.366 155 I HN 0.591 8.994 8.210 0.322 0.000 0.466 156 M N 3.836 123.658 119.600 0.370 0.000 2.644 156 M HA 0.451 5.125 4.480 0.323 0.000 0.304 156 M C -2.577 173.925 176.300 0.337 0.000 1.215 156 M CA -1.481 54.036 55.300 0.362 0.000 0.871 156 M CB 3.456 36.306 32.600 0.417 0.000 1.740 156 M HN 0.689 9.171 8.290 0.320 0.000 0.464 157 D N -0.461 120.149 120.400 0.350 0.000 2.193 157 D HA 0.530 5.571 4.640 0.365 -0.182 0.244 157 D C 0.704 177.139 176.300 0.224 0.000 1.064 157 D CA -1.466 52.750 54.000 0.361 0.000 0.845 157 D CB 2.547 43.653 40.800 0.510 0.000 1.148 157 D HN 0.390 8.976 8.370 0.361 0.000 0.464 158 T N 4.331 118.968 114.554 0.138 0.000 3.044 158 T HA 0.073 4.454 4.350 0.052 0.000 0.237 158 T C -0.050 174.683 174.700 0.054 0.000 1.001 158 T CA 0.135 62.278 62.100 0.071 0.000 1.160 158 T CB 1.393 70.291 68.868 0.050 0.000 0.889 158 T HN -0.347 7.962 8.240 0.114 0.000 0.442 159 G N -0.532 108.286 108.800 0.029 0.000 2.361 159 G HA2 -0.191 3.801 3.960 0.053 0.000 0.299 159 G HA3 -0.191 3.783 3.960 0.024 0.000 0.299 159 G C -2.182 172.701 174.900 -0.028 0.000 1.544 159 G CA -0.082 45.031 45.100 0.022 0.000 0.860 159 G HN -0.942 7.336 8.290 -0.002 0.010 0.610 160 N N -1.673 117.020 118.700 -0.012 0.000 2.727 160 N HA -0.337 4.399 4.740 -0.006 0.000 0.251 160 N C -0.427 175.025 175.510 -0.098 0.000 1.040 160 N CA 0.903 53.932 53.050 -0.034 0.000 0.712 160 N CB -0.492 37.973 38.487 -0.036 0.000 0.912 160 N HN 0.222 8.613 8.380 0.018 0.000 0.545 161 Q N -8.297 111.450 119.800 -0.088 0.000 2.434 161 Q HA -0.452 3.861 4.340 -0.045 0.000 0.299 161 Q C -1.190 174.377 176.000 -0.722 0.000 1.286 161 Q CA 1.347 57.032 55.803 -0.196 0.000 0.872 161 Q CB -1.459 27.247 28.738 -0.053 0.000 1.193 161 Q HN 0.230 8.491 8.270 -0.015 0.000 0.466 162 R N -2.367 117.751 120.500 -0.635 0.000 2.540 162 R HA 0.206 4.036 4.340 -0.851 0.000 0.287 162 R C -1.697 174.151 176.300 -0.753 0.000 0.980 162 R CA -1.833 53.840 56.100 -0.713 0.000 0.966 162 R CB 1.703 31.847 30.300 -0.260 0.000 1.106 162 R HN -0.295 7.776 8.270 -0.319 0.008 0.480 163 F N -0.510 119.472 119.950 0.053 0.000 2.561 163 F HA 0.719 5.485 4.527 0.082 -0.190 0.313 163 F C -0.859 174.952 175.800 0.018 0.000 1.126 163 F CA -1.887 56.143 58.000 0.051 0.000 0.918 163 F CB 2.992 42.011 39.000 0.032 0.000 1.199 163 F HN 0.290 8.362 8.300 -0.381 0.000 0.444 164 E N 0.663 120.977 120.200 0.189 0.000 2.199 164 E HA 0.429 4.762 4.350 -0.028 0.000 0.269 164 E C -1.859 174.713 176.600 -0.046 0.000 0.899 164 E CA -1.445 54.970 56.400 0.024 0.000 0.772 164 E CB 4.355 34.075 29.700 0.034 0.000 1.155 164 E HN 0.797 9.309 8.360 0.254 0.000 0.408 165 C N 4.611 123.775 119.300 -0.226 0.000 2.271 165 C HA 0.562 5.091 4.460 -0.194 -0.186 0.323 165 C C -1.175 173.517 174.990 -0.497 0.000 1.245 165 C CA -2.089 56.770 59.018 -0.265 0.000 1.548 165 C CB 0.906 28.554 27.740 -0.154 0.000 2.214 165 C HN 0.430 8.510 8.230 -0.251 0.000 0.477 166 H N 9.357 128.124 119.070 -0.505 0.000 2.472 166 H HA 0.647 5.149 4.556 -0.360 -0.162 0.338 166 H C -0.880 174.065 175.328 -0.638 0.000 1.133 166 H CA -0.987 54.738 56.048 -0.539 0.000 1.216 166 H CB 2.896 32.369 29.762 -0.482 0.000 1.497 166 H HN 0.140 8.072 8.280 -0.581 0.000 0.500 167 V N 0.267 119.838 119.914 -0.572 0.000 2.667 167 V HA 0.217 4.265 4.120 -0.315 -0.117 0.308 167 V C -1.480 174.152 176.094 -0.770 0.000 1.048 167 V CA -1.070 60.933 62.300 -0.495 0.000 0.928 167 V CB 2.241 33.832 31.823 -0.386 0.000 1.004 167 V HN -0.359 7.506 8.190 -0.541 0.000 0.444 168 F N 1.491 121.406 119.950 -0.059 0.000 2.596 168 F HA 0.503 5.288 4.527 0.128 -0.181 0.311 168 F C -1.365 174.560 175.800 0.209 0.000 1.116 168 F CA -1.552 56.517 58.000 0.114 0.000 0.957 168 F CB 4.475 43.585 39.000 0.183 0.000 1.250 168 F HN 0.657 8.897 8.300 0.070 0.102 0.444 169 W N 3.290 124.747 121.300 0.261 0.000 2.351 169 W HA 0.456 5.415 4.660 0.243 -0.154 0.311 169 W C -1.663 175.035 176.519 0.298 0.000 1.168 169 W CA -0.503 57.004 57.345 0.270 0.000 1.200 169 W CB 2.397 32.051 29.460 0.323 0.000 1.221 169 W HN -0.087 8.431 8.180 0.564 0.000 0.519 170 C N 5.595 124.858 119.300 -0.062 0.000 2.561 170 C HA 0.336 4.935 4.460 0.231 0.000 0.319 170 C C -1.646 173.350 174.990 0.010 0.000 1.198 170 C CA -1.454 57.594 59.018 0.051 0.000 1.665 170 C CB 3.895 31.619 27.740 -0.027 0.000 2.258 170 C HN 0.730 8.651 8.230 -0.515 0.000 0.493 171 E N 3.242 123.549 120.200 0.178 0.000 2.292 171 E HA 0.410 4.879 4.350 0.197 0.000 0.272 171 E C -1.300 175.380 176.600 0.134 0.000 0.881 171 E CA -2.481 54.049 56.400 0.216 0.000 0.754 171 E CB 1.817 31.729 29.700 0.353 0.000 1.201 171 E HN 0.647 9.127 8.360 0.200 0.000 0.425 172 P HA -0.043 4.502 4.420 0.208 0.000 0.215 172 P C -1.271 175.992 177.300 -0.062 0.000 1.157 172 P CA 1.232 64.391 63.100 0.098 0.000 0.859 172 P CB 0.717 32.456 31.700 0.065 0.000 0.786 173 N N -2.878 115.728 118.700 -0.157 0.000 2.653 173 N HA 0.098 4.505 4.740 -0.555 0.000 0.294 173 N C -0.710 174.663 175.510 -0.229 0.000 1.305 173 N CA -1.365 51.492 53.050 -0.322 0.000 0.827 173 N CB 2.293 40.604 38.487 -0.293 0.000 1.415 173 N HN -0.345 7.986 8.380 -0.082 0.000 0.546 174 A N -1.546 121.113 122.820 -0.267 0.000 2.532 174 A HA 0.133 4.302 4.320 -0.252 0.000 0.273 174 A C -0.120 177.286 177.584 -0.298 0.000 1.342 174 A CA 0.323 52.195 52.037 -0.274 0.000 0.929 174 A CB -0.600 18.253 19.000 -0.245 0.000 1.051 174 A HN 0.364 8.328 8.150 -0.310 0.000 0.521 175 A N 0.242 122.948 122.820 -0.191 0.000 1.898 175 A HA -0.157 4.129 4.320 -0.057 0.000 0.214 175 A C 1.279 178.808 177.584 -0.093 0.000 1.183 175 A CA 2.334 54.326 52.037 -0.075 0.000 0.622 175 A CB -0.155 18.846 19.000 0.001 0.000 0.824 175 A HN 0.365 8.314 8.150 -0.173 0.098 0.444 176 N N -3.245 115.381 118.700 -0.122 0.000 2.396 176 N HA -0.259 4.669 4.740 -0.075 -0.233 0.180 176 N C 1.482 176.781 175.510 -0.350 0.000 1.028 176 N CA 2.767 55.754 53.050 -0.105 0.000 0.893 176 N CB 0.043 38.558 38.487 0.046 0.000 0.967 176 N HN 0.045 8.361 8.380 -0.107 0.000 0.440 177 V N -0.657 118.941 119.914 -0.528 0.000 2.436 177 V HA -0.185 3.112 4.120 -1.372 0.000 0.240 177 V C 1.300 176.898 176.094 -0.826 0.000 1.040 177 V CA 3.974 65.736 62.300 -0.897 0.000 1.052 177 V CB 0.107 31.454 31.823 -0.794 0.000 0.707 177 V HN -0.458 7.350 8.190 -0.397 0.144 0.469 178 S N -1.213 114.025 115.700 -0.770 0.000 2.500 178 S HA -0.254 3.684 4.470 -0.887 0.000 0.239 178 S C 1.834 176.244 174.600 -0.316 0.000 0.989 178 S CA 3.265 61.078 58.200 -0.644 0.000 0.951 178 S CB -0.558 62.346 63.200 -0.493 0.000 0.759 178 S HN 0.053 7.842 8.310 -0.683 0.112 0.523 179 E N 0.321 120.368 120.200 -0.254 0.000 2.166 179 E HA -0.007 4.231 4.350 -0.187 0.000 0.192 179 E C 1.159 177.614 176.600 -0.241 0.000 0.967 179 E CA 1.623 57.893 56.400 -0.217 0.000 0.840 179 E CB -0.253 29.303 29.700 -0.239 0.000 0.795 179 E HN -0.545 7.553 8.360 -0.317 0.071 0.470 180 A N 0.684 123.327 122.820 -0.294 0.000 1.930 180 A HA -0.128 4.140 4.320 -0.088 0.000 0.217 180 A C 2.226 179.683 177.584 -0.212 0.000 1.175 180 A CA 2.825 54.742 52.037 -0.200 0.000 0.627 180 A CB -0.594 18.274 19.000 -0.220 0.000 0.815 180 A HN -0.586 7.234 8.150 -0.401 0.090 0.443 181 V N -1.164 118.562 119.914 -0.314 0.000 2.379 181 V HA -0.313 3.686 4.120 -0.202 0.000 0.245 181 V C 1.151 177.093 176.094 -0.253 0.000 1.044 181 V CA 3.099 65.245 62.300 -0.256 0.000 1.036 181 V CB -0.463 31.208 31.823 -0.254 0.000 0.664 181 V HN -0.044 7.894 8.190 -0.421 0.000 0.453 182 Q N 0.448 120.050 119.800 -0.330 0.000 2.050 182 Q HA -0.333 3.645 4.340 -0.603 0.000 0.202 182 Q C 2.629 178.463 176.000 -0.276 0.000 0.980 182 Q CA 3.095 58.624 55.803 -0.456 0.000 0.840 182 Q CB -0.224 28.196 28.738 -0.530 0.000 0.898 182 Q HN -0.579 7.490 8.270 -0.336 0.000 0.424 183 A N -0.930 121.776 122.820 -0.190 0.000 1.986 183 A HA -0.281 3.985 4.320 -0.091 0.000 0.220 183 A C 0.865 178.405 177.584 -0.073 0.000 1.171 183 A CA 2.566 54.538 52.037 -0.108 0.000 0.640 183 A CB -0.616 18.332 19.000 -0.088 0.000 0.811 183 A HN -0.224 7.804 8.150 -0.204 0.000 0.451 184 A N -2.843 119.926 122.820 -0.085 0.000 1.969 184 A HA -0.278 4.021 4.320 -0.034 0.000 0.218 184 A C 0.577 178.147 177.584 -0.023 0.000 1.169 184 A CA 0.990 52.996 52.037 -0.051 0.000 0.635 184 A CB -0.175 18.788 19.000 -0.061 0.000 0.810 184 A HN -0.109 7.846 8.150 -0.119 0.124 0.445 185 C N 0.000 119.282 119.300 -0.030 0.000 2.653 185 C HA 0.000 4.498 4.460 0.063 0.000 0.325 185 C CA 0.000 59.049 59.018 0.052 0.000 1.963 185 C CB 0.000 27.813 27.740 0.121 0.000 2.134 185 C HN 0.000 8.039 8.230 -0.091 0.137 0.568