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 2i3b_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARHVFLTGPP GVGKTTLIHK ASEVLKSSGV PVDGFYTEEV RQGGRRIGFD DATA SEQUENCE VVTLSGTRGP LSRVGLEPPP GKRECRVGQY VVDLTSFEQL ALPVLRNADC DATA SEQUENCE SSGPGQRVCV IDEIGKMELF SQLFIQAVRQ TLSTPGTIIL GTIPVPKGKP DATA SEQUENCE LALVEEIRNR KDVKVFNVTK ENRNHLLPDI VTCVQSSRK 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 A HA 0.000 4.290 4.320 -0.050 0.000 0.244 1 A C 0.000 177.514 177.584 -0.116 0.000 1.274 1 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 1 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 2 R N -1.165 119.247 120.500 -0.146 0.000 2.795 2 R HA 0.279 4.334 4.340 -0.475 0.000 0.268 2 R C -1.142 175.010 176.300 -0.247 0.000 1.041 2 R CA -1.260 54.658 56.100 -0.302 0.000 0.927 2 R CB 2.551 32.718 30.300 -0.220 0.000 1.235 2 R HN 0.182 8.396 8.270 -0.092 0.000 0.463 3 H N -1.194 117.897 119.070 0.035 0.000 2.913 3 H HA 0.130 4.809 4.556 -0.006 -0.127 0.365 3 H C 0.194 175.546 175.328 0.039 0.000 1.155 3 H CA -0.433 55.640 56.048 0.041 0.000 1.417 3 H CB 0.155 29.999 29.762 0.137 0.000 1.386 3 H HN 0.109 7.740 8.280 -1.081 0.000 0.614 4 V N -1.143 118.823 119.914 0.087 0.000 2.686 4 V HA 0.203 4.495 4.120 0.057 -0.138 0.306 4 V C -1.951 174.083 176.094 -0.100 0.000 1.065 4 V CA -0.708 61.617 62.300 0.043 0.000 0.894 4 V CB 2.610 34.486 31.823 0.090 0.000 1.004 4 V HN 0.002 8.182 8.190 -0.016 0.000 0.424 5 F N 4.916 124.879 119.950 0.021 0.000 2.540 5 F HA 0.675 5.415 4.527 0.040 -0.189 0.317 5 F C -0.869 174.974 175.800 0.071 0.000 1.104 5 F CA -1.706 56.311 58.000 0.030 0.000 0.913 5 F CB 4.123 43.118 39.000 -0.009 0.000 1.170 5 F HN 0.948 9.277 8.300 0.229 0.109 0.450 6 L N 1.989 123.357 121.223 0.243 0.000 2.453 6 L HA 0.516 5.172 4.340 0.255 -0.163 0.261 6 L C -0.037 176.940 176.870 0.178 0.000 1.179 6 L CA 0.427 55.389 54.840 0.204 0.000 0.813 6 L CB 0.472 42.603 42.059 0.121 0.000 1.110 6 L HN 0.783 9.124 8.230 0.186 0.000 0.466 7 T N -0.773 113.862 114.554 0.136 0.000 2.731 7 T HA 0.692 5.319 4.350 0.081 -0.229 0.300 7 T C -1.323 173.421 174.700 0.075 0.000 1.283 7 T CA -2.363 59.791 62.100 0.089 0.000 1.005 7 T CB 2.202 71.109 68.868 0.065 0.000 1.420 7 T HN 0.396 8.724 8.240 0.146 0.000 0.503 8 G N -0.667 108.164 108.800 0.053 0.000 2.302 8 G HA2 -0.121 3.864 3.960 0.041 0.000 0.276 8 G HA3 -0.121 3.869 3.960 0.049 0.000 0.276 8 G C -3.332 171.590 174.900 0.038 0.000 1.316 8 G CA -0.204 44.923 45.100 0.045 0.000 0.988 8 G HN -0.218 8.099 8.290 0.044 0.000 0.479 9 P HA 0.507 4.947 4.420 0.033 0.000 0.282 9 P C -1.510 175.814 177.300 0.040 0.000 1.249 9 P CA -1.984 61.136 63.100 0.034 0.000 0.806 9 P CB -0.720 30.998 31.700 0.031 0.000 0.984 10 P HA 0.169 4.621 4.420 0.053 0.000 0.272 10 P C 0.393 177.721 177.300 0.048 0.000 1.223 10 P CA -0.065 63.067 63.100 0.052 0.000 0.784 10 P CB 0.467 32.205 31.700 0.064 0.000 0.923 11 G N -0.120 108.709 108.800 0.048 0.000 4.611 11 G HA2 -0.140 3.847 3.960 0.045 0.000 0.220 11 G HA3 -0.140 3.842 3.960 0.035 0.000 0.220 11 G C -1.235 173.687 174.900 0.037 0.000 0.717 11 G CA -0.149 44.976 45.100 0.041 0.000 0.953 11 G HN 0.048 8.370 8.290 0.053 0.000 0.728 12 V N -0.694 119.243 119.914 0.039 0.000 3.480 12 V HA -0.521 3.619 4.120 0.034 0.000 0.494 12 V C -0.956 175.148 176.094 0.016 0.000 0.682 12 V CA 0.996 63.316 62.300 0.032 0.000 2.039 12 V CB -1.173 30.673 31.823 0.039 0.000 2.474 12 V HN -0.408 7.810 8.190 0.047 0.000 0.505 13 G N 3.840 112.641 108.800 0.002 0.000 3.914 13 G HA2 -0.082 3.871 3.960 -0.011 0.000 0.187 13 G HA3 -0.082 3.873 3.960 -0.008 0.000 0.187 13 G C -0.099 174.777 174.900 -0.040 0.000 0.927 13 G CA 0.966 46.058 45.100 -0.013 0.000 0.893 13 G HN -0.163 8.127 8.290 0.000 0.000 0.354 14 K N 2.052 122.431 120.400 -0.035 0.000 2.160 14 K HA -0.390 3.895 4.320 -0.058 0.000 0.206 14 K C 0.453 176.984 176.600 -0.114 0.000 1.047 14 K CA 2.666 58.920 56.287 -0.055 0.000 0.930 14 K CB -1.297 31.191 32.500 -0.020 0.000 0.720 14 K HN 0.123 8.365 8.250 -0.014 0.000 0.450 15 T N 1.385 115.859 114.554 -0.133 0.000 2.653 15 T HA -0.329 3.858 4.350 -0.272 0.000 0.268 15 T C 2.085 176.472 174.700 -0.521 0.000 1.035 15 T CA 4.525 66.462 62.100 -0.272 0.000 1.154 15 T CB -0.796 67.987 68.868 -0.143 0.000 0.862 15 T HN 0.071 8.239 8.240 -0.077 0.026 0.441 16 T N 3.180 117.573 114.554 -0.268 0.000 3.054 16 T HA -0.026 4.241 4.350 -0.139 0.000 0.259 16 T C 1.231 175.862 174.700 -0.115 0.000 1.092 16 T CA 3.236 65.251 62.100 -0.141 0.000 1.121 16 T CB 0.048 68.914 68.868 -0.003 0.000 0.912 16 T HN -0.104 7.941 8.240 -0.147 0.106 0.489 17 L N 1.556 122.703 121.223 -0.126 0.000 2.093 17 L HA -0.198 4.089 4.340 -0.087 0.000 0.208 17 L C 1.528 178.326 176.870 -0.120 0.000 1.085 17 L CA 2.429 57.205 54.840 -0.107 0.000 0.755 17 L CB -1.819 40.180 42.059 -0.100 0.000 0.904 17 L HN -0.717 7.318 8.230 -0.133 0.115 0.435 18 I N -0.726 119.740 120.570 -0.172 0.000 2.179 18 I HA -0.580 3.520 4.170 -0.116 0.000 0.242 18 I C 1.992 178.024 176.117 -0.141 0.000 1.088 18 I CA 2.713 63.912 61.300 -0.169 0.000 1.357 18 I CB -1.514 36.358 38.000 -0.212 0.000 1.051 18 I HN 0.178 8.264 8.210 -0.206 0.000 0.409 19 H N -0.678 118.299 119.070 -0.155 0.000 2.353 19 H HA -0.279 4.131 4.556 -0.244 0.000 0.298 19 H C 3.294 178.546 175.328 -0.127 0.000 1.103 19 H CA 2.744 58.674 56.048 -0.198 0.000 1.293 19 H CB -0.594 29.019 29.762 -0.248 0.000 1.372 19 H HN -0.128 7.804 8.280 -0.506 0.044 0.501 20 K N -0.294 120.118 120.400 0.020 0.000 2.057 20 K HA -0.245 4.071 4.320 -0.007 0.000 0.207 20 K C 2.206 178.792 176.600 -0.023 0.000 1.049 20 K CA 3.224 59.504 56.287 -0.013 0.000 0.931 20 K CB 0.025 32.505 32.500 -0.033 0.000 0.714 20 K HN 0.155 8.298 8.250 0.000 0.107 0.440 21 A N -1.923 120.876 122.820 -0.037 0.000 2.070 21 A HA -0.170 4.130 4.320 -0.034 0.000 0.220 21 A C 1.052 178.626 177.584 -0.017 0.000 1.159 21 A CA 2.657 54.674 52.037 -0.034 0.000 0.656 21 A CB -0.773 18.198 19.000 -0.048 0.000 0.800 21 A HN -0.132 7.906 8.150 -0.051 0.082 0.453 22 S N -4.154 111.543 115.700 -0.005 0.000 2.671 22 S HA -0.101 4.377 4.470 0.013 0.000 0.220 22 S C -0.620 173.987 174.600 0.011 0.000 0.951 22 S CA 0.964 59.171 58.200 0.013 0.000 0.932 22 S CB 0.081 63.302 63.200 0.034 0.000 0.777 22 S HN -0.572 7.563 8.310 -0.005 0.173 0.508 23 E N -0.328 119.873 120.200 0.000 0.000 2.434 23 E HA 0.052 4.403 4.350 0.002 0.000 0.207 23 E C 1.129 177.727 176.600 -0.003 0.000 0.929 23 E CA 1.315 57.714 56.400 -0.002 0.000 1.001 23 E CB 1.010 30.704 29.700 -0.009 0.000 1.016 23 E HN -0.228 7.934 8.360 -0.005 0.194 0.502 24 V N 1.415 121.325 119.914 -0.007 0.000 2.575 24 V HA -0.200 3.915 4.120 -0.009 0.000 0.242 24 V C 0.703 176.795 176.094 -0.004 0.000 1.045 24 V CA 2.924 65.219 62.300 -0.009 0.000 1.065 24 V CB 0.527 32.340 31.823 -0.016 0.000 0.717 24 V HN -0.613 7.572 8.190 -0.009 0.000 0.467 25 L N -1.020 120.202 121.223 -0.002 0.000 2.079 25 L HA -0.476 3.865 4.340 0.002 0.000 0.210 25 L C 2.020 178.894 176.870 0.006 0.000 1.081 25 L CA 3.800 58.642 54.840 0.003 0.000 0.752 25 L CB -0.827 41.235 42.059 0.005 0.000 0.896 25 L HN -0.841 7.387 8.230 -0.003 0.000 0.433 26 K N -1.697 118.707 120.400 0.007 0.000 2.097 26 K HA -0.296 4.137 4.320 0.012 -0.106 0.205 26 K C 3.065 179.669 176.600 0.006 0.000 1.050 26 K CA 3.345 59.638 56.287 0.009 0.000 0.938 26 K CB -0.617 31.891 32.500 0.012 0.000 0.718 26 K HN 0.110 8.319 8.250 0.005 0.043 0.442 27 S N -0.924 114.777 115.700 0.002 0.000 2.481 27 S HA -0.121 4.349 4.470 0.001 0.000 0.231 27 S C 1.017 175.618 174.600 0.001 0.000 0.996 27 S CA 2.386 60.586 58.200 0.001 0.000 0.942 27 S CB 0.001 63.199 63.200 -0.003 0.000 0.768 27 S HN -0.243 7.882 8.310 0.001 0.185 0.520 28 S N -1.207 114.494 115.700 0.002 0.000 2.577 28 S HA 0.059 4.530 4.470 0.002 0.000 0.219 28 S C -0.246 174.357 174.600 0.005 0.000 0.962 28 S CA -0.045 58.157 58.200 0.003 0.000 0.921 28 S CB 0.224 63.425 63.200 0.002 0.000 0.789 28 S HN -0.474 7.686 8.310 0.002 0.151 0.497 29 G N 1.038 109.842 108.800 0.006 0.000 2.143 29 G HA2 -0.383 3.582 3.960 0.008 0.000 0.248 29 G HA3 -0.383 3.582 3.960 0.007 0.000 0.248 29 G C -1.085 173.821 174.900 0.010 0.000 0.991 29 G CA 0.649 45.754 45.100 0.008 0.000 0.689 29 G HN -0.394 7.697 8.290 0.006 0.202 0.522 30 V N 1.789 121.709 119.914 0.011 0.000 2.304 30 V HA 0.338 4.466 4.120 0.014 0.000 0.269 30 V C -1.722 174.382 176.094 0.017 0.000 1.036 30 V CA -3.107 59.201 62.300 0.013 0.000 0.840 30 V CB 0.878 32.708 31.823 0.012 0.000 1.036 30 V HN 0.018 8.072 8.190 0.009 0.141 0.466 31 P HA 0.054 4.489 4.420 0.024 0.000 0.268 31 P C -0.742 176.575 177.300 0.029 0.000 1.541 31 P CA -0.973 62.141 63.100 0.024 0.000 1.093 31 P CB -1.013 30.701 31.700 0.023 0.000 1.551 32 V N 5.730 125.662 119.914 0.030 0.000 2.999 32 V HA -0.349 3.789 4.120 0.029 0.000 0.307 32 V C -1.082 175.041 176.094 0.048 0.000 1.084 32 V CA 1.045 63.365 62.300 0.034 0.000 1.155 32 V CB 1.214 33.055 31.823 0.029 0.000 0.975 32 V HN -0.250 7.956 8.190 0.027 0.000 0.490 33 D N 4.831 125.263 120.400 0.053 0.000 2.652 33 D HA 0.281 4.971 4.640 0.084 0.000 0.285 33 D C -1.279 175.070 176.300 0.083 0.000 1.173 33 D CA -0.883 53.160 54.000 0.072 0.000 0.981 33 D CB 4.173 45.013 40.800 0.065 0.000 1.440 33 D HN -0.111 8.284 8.370 0.042 0.000 0.485 34 G N -1.757 107.118 108.800 0.125 0.000 2.295 34 G HA2 -0.151 3.941 3.960 0.220 0.000 0.195 34 G HA3 -0.151 4.021 3.960 0.062 -0.176 0.195 34 G C -2.791 172.282 174.900 0.288 0.000 1.269 34 G CA -0.193 45.005 45.100 0.164 0.000 1.170 34 G HN 0.066 8.435 8.290 0.132 0.000 0.511 35 F N -3.409 116.627 119.950 0.142 0.000 2.662 35 F HA 0.926 5.620 4.527 0.105 -0.103 0.312 35 F C -2.913 173.060 175.800 0.288 0.000 1.113 35 F CA -2.192 55.898 58.000 0.150 0.000 0.951 35 F CB 3.755 42.815 39.000 0.101 0.000 1.344 35 F HN -0.277 7.921 8.300 -0.169 0.000 0.462 36 Y N -4.467 116.060 120.300 0.378 0.000 2.433 36 Y HA 0.596 5.281 4.550 0.225 0.000 0.337 36 Y C -1.867 174.256 175.900 0.372 0.000 1.026 36 Y CA -1.785 56.501 58.100 0.309 0.000 1.037 36 Y CB 2.312 40.952 38.460 0.301 0.000 1.245 36 Y HN 0.542 8.844 8.280 0.218 0.109 0.443 37 T N 1.172 116.041 114.554 0.525 0.000 2.918 37 T HA -0.003 4.661 4.350 0.267 -0.154 0.302 37 T C -0.202 174.757 174.700 0.432 0.000 1.045 37 T CA -0.106 62.235 62.100 0.402 0.000 1.114 37 T CB 0.851 69.990 68.868 0.451 0.000 0.965 37 T HN 0.226 8.786 8.240 0.532 0.000 0.540 38 E N 4.149 124.518 120.200 0.281 0.000 2.336 38 E HA 0.332 4.846 4.350 0.275 0.000 0.267 38 E C -1.925 174.683 176.600 0.013 0.000 0.906 38 E CA -2.499 54.034 56.400 0.222 0.000 0.781 38 E CB 4.766 34.626 29.700 0.267 0.000 1.261 38 E HN 0.264 9.068 8.360 0.173 -0.340 0.436 39 E N 3.688 123.836 120.200 -0.087 0.000 1.932 39 E HA -0.069 3.902 4.350 -0.631 0.000 0.275 39 E C -0.477 175.978 176.600 -0.242 0.000 1.159 39 E CA 0.006 56.217 56.400 -0.314 0.000 0.905 39 E CB -0.445 29.115 29.700 -0.234 0.000 1.059 39 E HN 0.330 8.690 8.360 -0.000 0.000 0.400 40 V N 7.535 127.277 119.914 -0.287 0.000 2.400 40 V HA -0.240 3.809 4.120 -0.118 0.000 0.263 40 V C -1.002 174.991 176.094 -0.168 0.000 1.026 40 V CA 0.772 62.964 62.300 -0.180 0.000 1.077 40 V CB -0.793 30.937 31.823 -0.155 0.000 1.054 40 V HN -0.113 7.833 8.190 -0.406 0.000 0.477 41 R N 7.171 127.606 120.500 -0.109 0.000 2.477 41 R HA 0.481 5.028 4.340 -0.077 -0.253 0.285 41 R C -0.568 175.704 176.300 -0.046 0.000 1.415 41 R CA -1.939 54.115 56.100 -0.075 0.000 1.446 41 R CB 0.451 30.710 30.300 -0.068 0.000 1.110 41 R HN -0.072 8.143 8.270 -0.093 0.000 0.590 42 Q N 5.414 125.191 119.800 -0.038 0.000 2.256 42 Q HA -0.207 4.118 4.340 -0.025 0.000 0.281 42 Q C 0.684 176.674 176.000 -0.017 0.000 1.162 42 Q CA 1.407 57.196 55.803 -0.024 0.000 0.943 42 Q CB 0.159 28.886 28.738 -0.018 0.000 1.195 42 Q HN 0.368 8.613 8.270 -0.041 0.000 0.403 43 G N 5.334 114.124 108.800 -0.016 0.000 2.361 43 G HA2 -0.387 3.566 3.960 -0.011 0.000 0.294 43 G HA3 -0.387 3.568 3.960 -0.009 0.000 0.294 43 G C -0.411 174.482 174.900 -0.011 0.000 1.004 43 G CA 0.142 45.235 45.100 -0.011 0.000 0.870 43 G HN 0.717 8.997 8.290 -0.017 0.000 0.510 44 G N -3.709 105.081 108.800 -0.016 0.000 2.204 44 G HA2 -0.371 3.577 3.960 -0.020 0.000 0.244 44 G HA3 -0.371 3.583 3.960 -0.010 0.000 0.244 44 G C -1.205 173.690 174.900 -0.009 0.000 1.062 44 G CA -0.108 44.983 45.100 -0.015 0.000 0.798 44 G HN -0.250 7.930 8.290 -0.022 0.097 0.496 45 R N -2.115 118.379 120.500 -0.010 0.000 2.628 45 R HA 0.189 4.533 4.340 0.007 0.000 0.288 45 R C -1.279 175.020 176.300 -0.002 0.000 0.980 45 R CA -2.474 53.628 56.100 0.004 0.000 0.891 45 R CB 2.200 32.510 30.300 0.017 0.000 1.188 45 R HN -0.632 7.628 8.270 -0.017 0.000 0.450 46 R N 4.378 124.885 120.500 0.013 0.000 2.399 46 R HA -0.054 4.363 4.340 -0.115 -0.146 0.324 46 R C 1.245 177.602 176.300 0.096 0.000 1.030 46 R CA 1.204 57.299 56.100 -0.008 0.000 0.984 46 R CB -0.802 29.526 30.300 0.046 0.000 0.961 46 R HN 0.683 8.972 8.270 0.031 0.000 0.433 47 I N -2.431 118.135 120.570 -0.008 0.000 4.288 47 I HA 0.381 4.717 4.170 0.278 0.000 0.331 47 I C -1.001 175.111 176.117 -0.009 0.000 1.322 47 I CA -0.916 60.444 61.300 0.099 0.000 1.149 47 I CB 1.299 39.321 38.000 0.036 0.000 1.112 47 I HN -0.032 8.108 8.210 -0.116 0.000 0.403 48 G N -1.256 107.293 108.800 -0.418 0.000 2.333 48 G HA2 0.030 3.435 3.960 -0.926 0.000 0.288 48 G HA3 0.030 4.016 3.960 -0.189 -0.139 0.288 48 G C -2.889 171.784 174.900 -0.378 0.000 1.286 48 G CA 0.392 45.206 45.100 -0.477 0.000 0.865 48 G HN -0.919 7.099 8.290 -0.454 0.000 0.506 49 F N -2.476 117.272 119.950 -0.336 0.000 2.618 49 F HA 0.758 5.292 4.527 -0.178 -0.113 0.332 49 F C -0.781 174.910 175.800 -0.182 0.000 1.061 49 F CA -1.148 56.720 58.000 -0.220 0.000 0.974 49 F CB 4.499 43.381 39.000 -0.198 0.000 1.310 49 F HN -0.542 7.788 8.300 0.051 0.000 0.491 50 D N -1.858 118.576 120.400 0.058 0.000 2.654 50 D HA 0.304 4.992 4.640 -0.074 -0.093 0.255 50 D C -1.218 175.061 176.300 -0.034 0.000 1.101 50 D CA -2.454 51.527 54.000 -0.032 0.000 1.116 50 D CB 3.025 43.791 40.800 -0.057 0.000 1.348 50 D HN -0.026 8.413 8.370 0.114 0.000 0.609 51 V N -4.291 115.568 119.914 -0.093 0.000 2.340 51 V HA 0.192 4.345 4.120 0.054 0.000 0.277 51 V C 0.091 176.113 176.094 -0.121 0.000 1.017 51 V CA -0.853 61.414 62.300 -0.055 0.000 0.820 51 V CB 0.411 32.164 31.823 -0.116 0.000 1.028 51 V HN -0.443 7.765 8.190 -0.114 -0.086 0.436 52 V N 8.337 128.090 119.914 -0.270 0.000 2.963 52 V HA 0.193 4.296 4.120 -0.297 -0.161 0.306 52 V C 0.212 176.128 176.094 -0.297 0.000 1.077 52 V CA 0.578 62.590 62.300 -0.480 0.000 1.124 52 V CB 0.570 31.692 31.823 -1.169 0.000 0.987 52 V HN 0.881 8.897 8.190 -0.289 0.000 0.487 53 T N -0.214 114.249 114.554 -0.153 0.000 2.912 53 T HA 0.615 5.201 4.350 0.140 -0.152 0.288 53 T C 1.266 176.003 174.700 0.062 0.000 1.030 53 T CA -2.893 59.224 62.100 0.028 0.000 1.020 53 T CB 3.002 71.894 68.868 0.039 0.000 1.056 53 T HN 0.569 8.707 8.240 -0.170 0.000 0.480 54 L N 0.803 122.118 121.223 0.155 0.000 2.549 54 L HA -0.130 4.348 4.340 0.230 0.000 0.229 54 L C 1.173 178.100 176.870 0.096 0.000 1.158 54 L CA 1.268 56.207 54.840 0.165 0.000 0.842 54 L CB -1.808 40.346 42.059 0.157 0.000 0.952 54 L HN 0.215 8.550 8.230 0.176 0.000 0.452 55 S N -2.379 113.360 115.700 0.065 0.000 2.593 55 S HA -0.142 4.352 4.470 0.040 0.000 0.217 55 S C 0.795 175.409 174.600 0.023 0.000 0.966 55 S CA 0.326 58.549 58.200 0.039 0.000 0.914 55 S CB -0.389 62.830 63.200 0.033 0.000 0.776 55 S HN -0.086 8.189 8.310 0.067 0.075 0.523 56 G N 1.174 109.985 108.800 0.019 0.000 2.162 56 G HA2 -0.467 3.494 3.960 0.001 0.000 0.260 56 G HA3 -0.467 3.498 3.960 0.008 0.000 0.260 56 G C -0.658 174.226 174.900 -0.026 0.000 0.976 56 G CA 0.392 45.492 45.100 -0.000 0.000 0.655 56 G HN 0.056 8.193 8.290 0.034 0.173 0.533 57 T N 1.227 115.763 114.554 -0.031 0.000 2.899 57 T HA 0.095 4.421 4.350 -0.040 0.000 0.295 57 T C -1.223 173.430 174.700 -0.078 0.000 1.033 57 T CA -0.396 61.677 62.100 -0.044 0.000 1.084 57 T CB 0.774 69.621 68.868 -0.034 0.000 0.979 57 T HN -0.514 7.663 8.240 -0.021 0.050 0.532 58 R N 1.813 122.264 120.500 -0.083 0.000 2.604 58 R HA 0.559 5.058 4.340 -0.126 -0.234 0.281 58 R C -1.382 174.862 176.300 -0.094 0.000 1.020 58 R CA -1.763 54.273 56.100 -0.107 0.000 0.899 58 R CB 2.410 32.637 30.300 -0.122 0.000 1.205 58 R HN 0.191 8.420 8.270 -0.067 0.000 0.450 59 G N 1.913 110.647 108.800 -0.111 0.000 2.557 59 G HA2 0.336 4.237 3.960 -0.099 0.000 0.292 59 G HA3 0.336 4.211 3.960 -0.141 0.000 0.292 59 G C -1.625 173.207 174.900 -0.113 0.000 1.237 59 G CA -2.117 42.913 45.100 -0.116 0.000 0.978 59 G HN 0.238 8.372 8.290 -0.123 0.082 0.498 60 P HA -0.064 4.296 4.420 -0.101 0.000 0.273 60 P C -2.022 175.162 177.300 -0.194 0.000 1.250 60 P CA -0.269 62.757 63.100 -0.124 0.000 0.793 60 P CB 1.292 32.929 31.700 -0.105 0.000 1.011 61 L N -2.938 118.164 121.223 -0.202 0.000 2.681 61 L HA 0.367 4.429 4.340 -0.464 0.000 0.163 61 L C -1.447 175.267 176.870 -0.259 0.000 1.188 61 L CA -0.149 54.486 54.840 -0.341 0.000 0.944 61 L CB 2.827 44.656 42.059 -0.385 0.000 1.835 61 L HN -0.079 8.067 8.230 -0.140 0.000 0.510 62 S N -3.772 111.836 115.700 -0.153 0.000 2.634 62 S HA 0.733 5.302 4.470 -0.094 -0.155 0.296 62 S C -1.294 173.304 174.600 -0.004 0.000 1.104 62 S CA -1.339 56.815 58.200 -0.076 0.000 0.920 62 S CB 2.864 66.032 63.200 -0.053 0.000 1.111 62 S HN -0.792 7.460 8.310 -0.098 0.000 0.493 63 R N -3.255 117.292 120.500 0.078 0.000 2.781 63 R HA 0.656 5.236 4.340 0.144 -0.153 0.269 63 R C -1.486 174.953 176.300 0.232 0.000 1.025 63 R CA -1.348 54.833 56.100 0.134 0.000 0.914 63 R CB 2.726 33.055 30.300 0.049 0.000 1.236 63 R HN -0.042 8.277 8.270 0.082 0.000 0.465 64 V N 0.138 120.185 119.914 0.221 0.000 2.872 64 V HA -0.143 4.026 4.120 0.082 0.000 0.307 64 V C 0.240 176.361 176.094 0.046 0.000 1.072 64 V CA 1.876 64.244 62.300 0.114 0.000 1.148 64 V CB -0.236 31.634 31.823 0.078 0.000 0.954 64 V HN 0.590 8.892 8.190 0.188 0.000 0.490 65 G N 4.052 112.853 108.800 0.002 0.000 2.368 65 G HA2 -0.026 3.932 3.960 -0.002 0.000 0.293 65 G HA3 -0.026 3.935 3.960 0.002 0.000 0.293 65 G C -2.199 172.688 174.900 -0.021 0.000 1.467 65 G CA -0.356 44.741 45.100 -0.005 0.000 0.804 65 G HN -0.008 8.263 8.290 -0.032 0.000 0.535 66 L N -0.289 120.926 121.223 -0.014 0.000 2.479 66 L HA 0.039 4.367 4.340 -0.021 0.000 0.270 66 L C 0.318 177.182 176.870 -0.011 0.000 1.236 66 L CA 0.099 54.930 54.840 -0.014 0.000 0.823 66 L CB 1.200 43.255 42.059 -0.007 0.000 1.098 66 L HN -0.036 8.189 8.230 -0.009 0.000 0.500 67 E N 0.907 121.102 120.200 -0.008 0.000 2.408 67 E HA 0.042 4.395 4.350 0.004 0.000 0.259 67 E C -1.485 175.122 176.600 0.011 0.000 1.110 67 E CA -1.810 54.593 56.400 0.004 0.000 0.929 67 E CB -0.070 29.634 29.700 0.007 0.000 0.971 67 E HN -0.057 8.297 8.360 -0.010 0.000 0.438 68 P HA 0.222 4.653 4.420 0.019 0.000 0.276 68 P C -2.273 175.041 177.300 0.022 0.000 1.253 68 P CA -1.313 61.802 63.100 0.025 0.000 0.766 68 P CB -0.510 31.215 31.700 0.041 0.000 0.845 69 P HA 0.167 4.595 4.420 0.014 0.000 0.272 69 P C -0.485 176.826 177.300 0.018 0.000 1.240 69 P CA -1.900 61.209 63.100 0.015 0.000 0.791 69 P CB -0.775 30.931 31.700 0.011 0.000 0.978 70 P HA -0.122 4.311 4.420 0.021 0.000 0.230 70 P C 0.870 178.180 177.300 0.016 0.000 1.158 70 P CA 1.476 64.586 63.100 0.017 0.000 0.769 70 P CB 0.185 31.893 31.700 0.013 0.000 0.807 71 G N -2.139 106.670 108.800 0.015 0.000 2.490 71 G HA2 -0.103 3.865 3.960 0.013 0.000 0.211 71 G HA3 -0.103 3.864 3.960 0.011 0.000 0.211 71 G C -0.334 174.576 174.900 0.016 0.000 1.159 71 G CA -0.031 45.077 45.100 0.014 0.000 0.819 71 G HN -0.067 8.159 8.290 0.014 0.072 0.539 72 K N 1.741 122.151 120.400 0.017 0.000 2.281 72 K HA 0.126 4.457 4.320 0.017 0.000 0.272 72 K C -0.984 175.632 176.600 0.025 0.000 1.048 72 K CA -1.405 54.893 56.287 0.018 0.000 0.898 72 K CB 0.546 33.054 32.500 0.014 0.000 1.128 72 K HN -0.670 7.590 8.250 0.017 0.000 0.460 73 R N 3.983 124.501 120.500 0.030 0.000 2.491 73 R HA -0.064 4.305 4.340 0.050 0.000 0.283 73 R C -0.514 175.811 176.300 0.042 0.000 1.072 73 R CA 0.269 56.395 56.100 0.044 0.000 1.048 73 R CB 0.501 30.830 30.300 0.050 0.000 0.983 73 R HN 0.183 8.468 8.270 0.026 0.000 0.450 74 E N 2.373 122.605 120.200 0.052 0.000 2.456 74 E HA 0.075 4.441 4.350 0.027 0.000 0.278 74 E C -1.343 175.293 176.600 0.060 0.000 1.034 74 E CA -1.110 55.310 56.400 0.035 0.000 0.846 74 E CB 3.901 33.608 29.700 0.012 0.000 1.460 74 E HN 0.131 8.533 8.360 0.071 0.000 0.463 75 C N 1.730 121.014 119.300 -0.026 0.000 2.955 75 C HA 0.213 4.778 4.460 0.176 0.000 0.262 75 C C -1.613 173.205 174.990 -0.286 0.000 1.279 75 C CA -1.241 57.682 59.018 -0.159 0.000 1.615 75 C CB 0.351 27.831 27.740 -0.433 0.000 1.755 75 C HN 0.608 8.799 8.230 -0.066 0.000 0.452 76 R N 4.992 125.475 120.500 -0.028 0.000 2.390 76 R HA 0.449 4.966 4.340 -0.041 -0.202 0.291 76 R C -0.320 176.035 176.300 0.092 0.000 1.070 76 R CA -0.157 55.946 56.100 0.006 0.000 1.014 76 R CB 0.848 31.173 30.300 0.042 0.000 1.007 76 R HN 0.343 8.676 8.270 0.104 0.000 0.466 77 V N 3.885 123.844 119.914 0.075 0.000 3.263 77 V HA 0.301 4.592 4.120 0.286 0.000 0.248 77 V C -0.455 175.732 176.094 0.155 0.000 1.145 77 V CA -0.808 61.590 62.300 0.163 0.000 1.107 77 V CB 1.476 33.364 31.823 0.109 0.000 0.797 77 V HN 0.470 8.690 8.190 0.050 0.000 0.467 78 G N -0.364 108.498 108.800 0.104 0.000 4.170 78 G HA2 0.051 4.047 3.960 0.059 0.000 0.143 78 G HA3 0.051 4.056 3.960 0.074 0.000 0.143 78 G C -1.174 173.703 174.900 -0.039 0.000 1.261 78 G CA 1.294 46.427 45.100 0.054 0.000 1.043 78 G HN -0.506 7.832 8.290 0.080 0.000 0.382 79 Q N -0.924 118.772 119.800 -0.173 0.000 2.499 79 Q HA 0.066 4.291 4.340 -0.193 0.000 0.213 79 Q C -0.212 175.593 176.000 -0.325 0.000 0.929 79 Q CA 0.247 55.849 55.803 -0.336 0.000 0.904 79 Q CB 0.811 29.235 28.738 -0.523 0.000 1.052 79 Q HN 0.068 8.238 8.270 -0.166 0.000 0.589 80 Y N -1.925 118.397 120.300 0.036 0.000 2.330 80 Y HA -0.049 4.614 4.550 0.009 -0.108 0.341 80 Y C -0.236 175.643 175.900 -0.036 0.000 1.278 80 Y CA 0.232 58.341 58.100 0.014 0.000 1.453 80 Y CB 0.842 39.336 38.460 0.057 0.000 1.342 80 Y HN -0.561 7.319 8.280 -0.666 0.000 0.590 81 V N -1.878 118.092 119.914 0.093 0.000 2.378 81 V HA 0.325 4.571 4.120 -0.074 -0.171 0.288 81 V C -0.660 175.384 176.094 -0.083 0.000 1.016 81 V CA -1.064 61.218 62.300 -0.029 0.000 0.840 81 V CB 1.018 32.826 31.823 -0.026 0.000 0.994 81 V HN 0.364 8.636 8.190 0.136 0.000 0.431 82 V N 6.904 126.688 119.914 -0.217 0.000 3.336 82 V HA 0.097 4.242 4.120 -0.224 -0.159 0.304 82 V C -1.509 174.454 176.094 -0.219 0.000 1.073 82 V CA -0.645 61.492 62.300 -0.272 0.000 1.074 82 V CB 1.747 33.322 31.823 -0.413 0.000 1.161 82 V HN 0.710 8.710 8.190 -0.316 0.000 0.460 83 D N -0.713 119.569 120.400 -0.198 0.000 2.753 83 D HA 0.240 4.821 4.640 -0.099 0.000 0.224 83 D C -0.110 176.151 176.300 -0.066 0.000 1.213 83 D CA -0.918 53.013 54.000 -0.116 0.000 0.833 83 D CB 3.245 43.993 40.800 -0.087 0.000 1.607 83 D HN -0.563 7.654 8.370 -0.256 0.000 0.463 84 L N 2.237 123.473 121.223 0.022 0.000 2.141 84 L HA -0.022 4.469 4.340 0.252 0.000 0.209 84 L C 1.874 178.776 176.870 0.054 0.000 1.094 84 L CA 2.723 57.627 54.840 0.107 0.000 0.763 84 L CB -0.057 42.056 42.059 0.090 0.000 0.908 84 L HN 0.562 8.800 8.230 0.013 0.000 0.437 85 T N -0.072 114.482 114.554 -0.001 0.000 2.833 85 T HA -0.251 4.232 4.350 -0.021 -0.146 0.269 85 T C 1.621 176.289 174.700 -0.053 0.000 1.054 85 T CA 4.390 66.475 62.100 -0.025 0.000 1.135 85 T CB -0.572 68.278 68.868 -0.029 0.000 0.869 85 T HN -0.288 7.933 8.240 -0.007 0.015 0.466 86 S N 1.954 117.597 115.700 -0.095 0.000 2.399 86 S HA -0.301 4.091 4.470 -0.131 0.000 0.231 86 S C 1.469 175.954 174.600 -0.191 0.000 1.022 86 S CA 2.966 61.068 58.200 -0.164 0.000 0.983 86 S CB -0.203 62.857 63.200 -0.234 0.000 0.803 86 S HN -0.699 7.432 8.310 -0.097 0.121 0.480 87 F N 0.559 120.372 119.950 -0.228 0.000 2.060 87 F HA -0.324 3.959 4.527 -0.408 0.000 0.295 87 F C 1.912 177.515 175.800 -0.329 0.000 1.120 87 F CA 2.877 60.664 58.000 -0.355 0.000 1.205 87 F CB -0.055 38.681 39.000 -0.440 0.000 0.986 87 F HN -1.001 7.174 8.300 -0.023 0.111 0.470 88 E N -0.946 119.233 120.200 -0.035 0.000 2.273 88 E HA -0.451 3.824 4.350 -0.126 0.000 0.198 88 E C 2.259 178.810 176.600 -0.082 0.000 1.002 88 E CA 2.591 58.941 56.400 -0.084 0.000 0.828 88 E CB -0.670 28.995 29.700 -0.059 0.000 0.747 88 E HN -0.294 8.030 8.360 0.016 0.046 0.491 89 Q N -2.059 117.693 119.800 -0.080 0.000 2.152 89 Q HA -0.270 4.034 4.340 -0.060 0.000 0.206 89 Q C 1.453 177.405 176.000 -0.080 0.000 0.985 89 Q CA 2.500 58.258 55.803 -0.075 0.000 0.863 89 Q CB 0.539 29.228 28.738 -0.082 0.000 0.904 89 Q HN -0.209 7.980 8.270 -0.077 0.035 0.422 90 L N -7.423 113.734 121.223 -0.110 0.000 3.122 90 L HA 0.264 4.564 4.340 -0.067 0.000 0.296 90 L C 0.888 177.673 176.870 -0.141 0.000 1.040 90 L CA 0.722 55.502 54.840 -0.101 0.000 1.164 90 L CB 0.597 42.603 42.059 -0.088 0.000 1.990 90 L HN -0.267 7.862 8.230 -0.137 0.018 0.579 91 A N 0.569 123.212 122.820 -0.295 0.000 2.543 91 A HA -0.021 4.040 4.320 -0.431 0.000 0.258 91 A C -1.703 175.702 177.584 -0.298 0.000 1.391 91 A CA 0.965 52.666 52.037 -0.560 0.000 1.066 91 A CB -1.571 16.675 19.000 -1.256 0.000 0.972 91 A HN 0.151 8.135 8.150 -0.276 0.000 0.560 92 L N -2.710 118.436 121.223 -0.128 0.000 2.603 92 L HA 0.448 4.740 4.340 -0.081 0.000 0.189 92 L C -1.170 175.690 176.870 -0.016 0.000 1.082 92 L CA 1.113 55.907 54.840 -0.076 0.000 0.921 92 L CB -0.935 41.073 42.059 -0.085 0.000 1.694 92 L HN -0.363 7.693 8.230 -0.098 0.115 0.491 93 P HA -0.018 4.410 4.420 0.013 0.000 0.217 93 P C 1.614 178.939 177.300 0.041 0.000 1.151 93 P CA 2.034 65.142 63.100 0.013 0.000 0.828 93 P CB 0.083 31.786 31.700 0.006 0.000 0.788 94 V N -3.487 116.465 119.914 0.064 0.000 2.688 94 V HA -0.296 3.875 4.120 0.084 0.000 0.256 94 V C 1.340 177.507 176.094 0.122 0.000 1.084 94 V CA 2.514 64.880 62.300 0.109 0.000 1.103 94 V CB -1.331 30.599 31.823 0.177 0.000 0.688 94 V HN -0.696 7.521 8.190 0.045 0.000 0.480 95 L N -2.913 118.385 121.223 0.124 0.000 2.017 95 L HA -0.207 4.203 4.340 0.117 0.000 0.208 95 L C 0.744 177.654 176.870 0.068 0.000 1.073 95 L CA 2.029 56.933 54.840 0.107 0.000 0.745 95 L CB -0.750 41.371 42.059 0.103 0.000 0.894 95 L HN -0.797 7.462 8.230 0.112 0.038 0.432 96 R N -3.227 117.305 120.500 0.054 0.000 2.837 96 R HA 0.043 4.408 4.340 0.041 0.000 0.245 96 R C -1.789 174.532 176.300 0.034 0.000 1.712 96 R CA -0.797 55.327 56.100 0.041 0.000 1.539 96 R CB -0.273 30.048 30.300 0.036 0.000 1.490 96 R HN -0.438 7.761 8.270 0.053 0.103 0.667 97 N N 2.438 121.160 118.700 0.036 0.000 2.452 97 N HA -0.107 4.647 4.740 0.025 0.000 0.266 97 N C -0.719 174.806 175.510 0.026 0.000 1.175 97 N CA 0.798 53.866 53.050 0.029 0.000 0.945 97 N CB 0.190 38.696 38.487 0.031 0.000 1.063 97 N HN 0.200 8.606 8.380 0.042 0.000 0.472 98 A N 3.239 126.071 122.820 0.021 0.000 6.861 98 A HA -0.286 4.044 4.320 0.017 0.000 0.278 98 A C -2.431 175.165 177.584 0.021 0.000 2.084 98 A CA 0.917 52.965 52.037 0.019 0.000 0.701 98 A CB -0.122 18.888 19.000 0.018 0.000 1.283 98 A HN 0.191 8.352 8.150 0.019 0.000 0.398 99 D N -1.435 118.977 120.400 0.019 0.000 2.706 99 D HA 0.249 4.902 4.640 0.021 0.000 0.225 99 D C -1.345 174.965 176.300 0.016 0.000 1.241 99 D CA -0.207 53.804 54.000 0.019 0.000 0.784 99 D CB 1.489 42.301 40.800 0.020 0.000 1.521 99 D HN 0.120 8.500 8.370 0.016 0.000 0.461 100 C N 0.329 119.639 119.300 0.016 0.000 3.253 100 C HA 0.198 4.666 4.460 0.013 0.000 0.361 100 C C -0.095 174.903 174.990 0.014 0.000 1.498 100 C CA -0.598 58.428 59.018 0.014 0.000 1.163 100 C CB 0.694 28.441 27.740 0.012 0.000 1.687 100 C HN 0.042 8.282 8.230 0.017 0.000 0.430 101 S N 0.274 115.981 115.700 0.012 0.000 2.260 101 S HA -0.317 4.159 4.470 0.010 0.000 0.243 101 S C -0.170 174.438 174.600 0.012 0.000 1.065 101 S CA 2.042 60.249 58.200 0.011 0.000 2.199 101 S CB -0.674 62.533 63.200 0.012 0.000 1.307 101 S HN 0.447 8.764 8.310 0.011 0.000 0.497 102 S N 1.510 117.218 115.700 0.014 0.000 3.460 102 S HA -0.287 4.192 4.470 0.016 0.000 0.637 102 S C 0.837 175.444 174.600 0.012 0.000 2.505 102 S CA 1.313 59.522 58.200 0.014 0.000 2.686 102 S CB 0.285 63.493 63.200 0.014 0.000 0.330 102 S HN -0.043 8.211 8.310 0.015 0.065 1.795 103 G N 0.877 109.683 108.800 0.011 0.000 2.523 103 G HA2 -0.287 3.678 3.960 0.008 0.000 0.271 103 G HA3 -0.287 3.678 3.960 0.009 0.000 0.271 103 G C -2.535 172.371 174.900 0.010 0.000 1.146 103 G CA -0.313 44.792 45.100 0.009 0.000 0.961 103 G HN 0.277 8.575 8.290 0.012 0.000 0.549 104 P HA -0.039 4.386 4.420 0.009 0.000 0.271 104 P C 0.090 177.397 177.300 0.011 0.000 1.216 104 P CA 0.337 63.443 63.100 0.009 0.000 0.771 104 P CB -0.148 31.556 31.700 0.008 0.000 0.864 105 G N 2.538 111.345 108.800 0.012 0.000 3.736 105 G HA2 -0.198 3.770 3.960 0.014 0.000 0.196 105 G HA3 -0.198 3.771 3.960 0.015 0.000 0.196 105 G C -0.843 174.067 174.900 0.017 0.000 1.811 105 G CA -0.221 44.888 45.100 0.015 0.000 1.175 105 G HN 0.147 8.444 8.290 0.012 0.000 0.429 106 Q N -0.853 118.959 119.800 0.019 0.000 0.899 106 Q HA -0.506 3.849 4.340 0.026 0.000 0.367 106 Q C -1.050 174.967 176.000 0.028 0.000 1.049 106 Q CA 1.483 57.300 55.803 0.024 0.000 0.458 106 Q CB -0.470 28.281 28.738 0.022 0.000 5.210 106 Q HN 0.019 8.300 8.270 0.018 0.000 0.435 107 R N -1.310 119.210 120.500 0.034 0.000 2.733 107 R HA 0.199 4.556 4.340 0.029 0.000 0.272 107 R C -2.460 173.862 176.300 0.036 0.000 1.029 107 R CA -0.933 55.188 56.100 0.034 0.000 0.888 107 R CB 4.092 34.414 30.300 0.037 0.000 1.251 107 R HN -0.027 8.233 8.270 0.038 0.032 0.464 108 V N -1.155 118.777 119.914 0.030 0.000 2.656 108 V HA 0.281 4.627 4.120 0.029 -0.210 0.307 108 V C -1.487 174.617 176.094 0.016 0.000 1.051 108 V CA -2.060 60.254 62.300 0.023 0.000 0.893 108 V CB 3.347 35.178 31.823 0.015 0.000 0.999 108 V HN 0.273 8.481 8.190 0.030 0.000 0.426 109 C N 8.246 127.544 119.300 -0.003 0.000 2.321 109 C HA 0.422 5.050 4.460 0.008 -0.164 0.323 109 C C -1.499 173.447 174.990 -0.073 0.000 1.191 109 C CA -2.603 56.405 59.018 -0.016 0.000 1.455 109 C CB 0.883 28.619 27.740 -0.006 0.000 2.083 109 C HN 0.982 9.099 8.230 -0.011 0.106 0.442 110 V N 10.511 130.383 119.914 -0.070 0.000 2.555 110 V HA 0.246 4.458 4.120 -0.144 -0.179 0.286 110 V C -0.995 174.941 176.094 -0.262 0.000 1.044 110 V CA 1.111 63.337 62.300 -0.123 0.000 1.026 110 V CB 0.490 32.293 31.823 -0.034 0.000 0.981 110 V HN 0.866 8.937 8.190 -0.022 0.107 0.480 111 I N 6.309 126.697 120.570 -0.304 0.000 2.649 111 I HA 0.298 3.964 4.170 -0.840 0.000 0.275 111 I C -1.732 174.257 176.117 -0.213 0.000 1.153 111 I CA -1.324 59.713 61.300 -0.437 0.000 1.069 111 I CB 0.825 38.648 38.000 -0.294 0.000 1.227 111 I HN 0.760 8.819 8.210 -0.251 0.000 0.505 112 D N 5.956 126.273 120.400 -0.139 0.000 2.368 112 D HA -0.234 4.390 4.640 -0.026 0.000 0.240 112 D C 0.118 176.469 176.300 0.085 0.000 1.169 112 D CA 0.879 54.872 54.000 -0.012 0.000 0.906 112 D CB 1.119 41.933 40.800 0.023 0.000 1.187 112 D HN -0.321 7.946 8.370 -0.172 0.000 0.435 113 E N -0.416 119.853 120.200 0.114 0.000 3.702 113 E HA -0.380 4.039 4.350 0.115 0.000 0.159 113 E C -1.191 175.473 176.600 0.106 0.000 1.963 113 E CA 1.200 57.690 56.400 0.150 0.000 0.824 113 E CB -1.623 28.218 29.700 0.235 0.000 1.065 113 E HN 0.304 8.714 8.360 0.084 0.000 0.346 114 I N 5.083 125.659 120.570 0.010 0.000 2.697 114 I HA 0.174 4.152 4.170 -0.319 0.000 0.279 114 I C -2.013 174.047 176.117 -0.095 0.000 1.171 114 I CA -0.743 60.465 61.300 -0.154 0.000 1.135 114 I CB -0.433 37.472 38.000 -0.159 0.000 1.445 114 I HN 0.619 8.855 8.210 0.044 0.000 0.541 115 G N 3.406 112.180 108.800 -0.044 0.000 3.611 115 G HA2 0.126 4.057 3.960 -0.048 0.000 0.207 115 G HA3 0.126 4.092 3.960 0.010 0.000 0.207 115 G C 0.399 175.314 174.900 0.024 0.000 1.548 115 G CA 1.948 47.039 45.100 -0.014 0.000 0.855 115 G HN 0.476 9.159 8.290 -0.002 -0.395 0.804 116 K N 2.902 123.347 120.400 0.075 0.000 2.097 116 K HA -0.154 4.225 4.320 0.099 0.000 0.205 116 K C 1.565 178.273 176.600 0.181 0.000 1.050 116 K CA 2.133 58.491 56.287 0.118 0.000 0.938 116 K CB -0.020 32.549 32.500 0.115 0.000 0.718 116 K HN -0.029 8.876 8.250 0.085 -0.604 0.442 117 M N -3.137 116.589 119.600 0.209 0.000 2.659 117 M HA 0.054 4.886 4.480 0.586 0.000 0.243 117 M C 0.196 176.586 176.300 0.150 0.000 1.111 117 M CA -1.196 54.311 55.300 0.345 0.000 1.070 117 M CB -0.805 32.086 32.600 0.485 0.000 1.525 117 M HN -0.609 7.932 8.290 0.167 -0.151 0.517 118 E N -0.921 119.282 120.200 0.005 0.000 2.492 118 E HA -0.304 4.002 4.350 -0.073 0.000 0.204 118 E C 0.576 177.106 176.600 -0.117 0.000 1.073 118 E CA 2.384 58.743 56.400 -0.068 0.000 0.887 118 E CB -1.310 28.345 29.700 -0.075 0.000 0.813 118 E HN -0.214 8.083 8.360 0.013 0.072 0.562 119 L N -2.981 118.105 121.223 -0.229 0.000 2.600 119 L HA 0.049 4.261 4.340 -0.214 0.000 0.213 119 L C 0.912 177.604 176.870 -0.297 0.000 1.045 119 L CA 1.386 56.014 54.840 -0.353 0.000 0.863 119 L CB 0.913 42.603 42.059 -0.614 0.000 1.189 119 L HN -0.535 7.434 8.230 -0.220 0.129 0.484 120 F N -2.938 117.058 119.950 0.078 0.000 2.407 120 F HA -0.182 4.391 4.527 0.078 0.000 0.299 120 F C 0.381 176.259 175.800 0.130 0.000 1.097 120 F CA 0.352 58.413 58.000 0.101 0.000 1.422 120 F CB -0.474 38.602 39.000 0.128 0.000 1.067 120 F HN -0.767 7.243 8.300 -0.483 0.000 0.539 121 S N -0.417 115.448 115.700 0.275 0.000 2.629 121 S HA -0.272 4.459 4.470 0.436 0.000 0.302 121 S C -0.452 174.258 174.600 0.184 0.000 1.244 121 S CA 1.165 59.532 58.200 0.277 0.000 1.098 121 S CB 0.262 63.551 63.200 0.149 0.000 0.858 121 S HN -0.182 8.198 8.310 0.200 0.049 0.502 122 Q N 3.669 123.578 119.800 0.182 0.000 2.245 122 Q HA 0.061 4.455 4.340 0.091 0.000 0.172 122 Q C 1.530 177.580 176.000 0.083 0.000 0.604 122 Q CA 0.807 56.675 55.803 0.109 0.000 0.812 122 Q CB 0.675 29.471 28.738 0.096 0.000 1.149 122 Q HN 0.006 8.405 8.270 0.214 0.000 0.467 123 L N -0.810 120.437 121.223 0.040 0.000 2.291 123 L HA -0.135 4.212 4.340 0.011 0.000 0.214 123 L C 1.682 178.564 176.870 0.019 0.000 1.120 123 L CA 1.749 56.584 54.840 -0.008 0.000 0.799 123 L CB -0.296 41.715 42.059 -0.079 0.000 0.925 123 L HN 0.266 8.513 8.230 0.028 0.000 0.446 124 F N -1.141 118.766 119.950 -0.073 0.000 2.011 124 F HA -0.483 4.000 4.527 -0.073 0.000 0.296 124 F C 2.096 177.878 175.800 -0.030 0.000 1.144 124 F CA 4.270 62.228 58.000 -0.070 0.000 1.185 124 F CB -0.685 38.262 39.000 -0.089 0.000 0.961 124 F HN -0.346 8.008 8.300 0.133 0.025 0.485 125 I N -2.460 118.219 120.570 0.182 0.000 2.147 125 I HA -0.634 3.568 4.170 0.054 0.000 0.245 125 I C 2.026 178.182 176.117 0.066 0.000 1.059 125 I CA 4.440 65.789 61.300 0.080 0.000 1.320 125 I CB -0.348 37.682 38.000 0.050 0.000 1.021 125 I HN 0.033 8.357 8.210 0.189 0.000 0.415 126 Q N -1.583 118.254 119.800 0.062 0.000 1.967 126 Q HA -0.406 3.953 4.340 0.032 0.000 0.202 126 Q C 2.355 178.383 176.000 0.047 0.000 0.985 126 Q CA 3.243 59.071 55.803 0.042 0.000 0.839 126 Q CB -0.015 28.741 28.738 0.029 0.000 0.906 126 Q HN -0.624 7.679 8.270 0.071 0.009 0.423 127 A N -0.233 122.619 122.820 0.054 0.000 1.908 127 A HA -0.337 4.004 4.320 0.035 0.000 0.218 127 A C 2.426 180.058 177.584 0.080 0.000 1.181 127 A CA 3.241 55.310 52.037 0.053 0.000 0.627 127 A CB -0.515 18.503 19.000 0.031 0.000 0.818 127 A HN 0.392 8.572 8.150 0.051 0.000 0.445 128 V N -0.356 119.629 119.914 0.119 0.000 2.343 128 V HA -0.431 3.756 4.120 0.112 0.000 0.247 128 V C 1.991 178.115 176.094 0.049 0.000 1.051 128 V CA 4.721 67.085 62.300 0.108 0.000 1.036 128 V CB -0.315 31.591 31.823 0.138 0.000 0.654 128 V HN 0.510 8.792 8.190 0.153 0.000 0.451 129 R N -1.556 118.967 120.500 0.039 0.000 2.115 129 R HA -0.398 3.946 4.340 0.007 0.000 0.230 129 R C 2.676 178.988 176.300 0.020 0.000 1.111 129 R CA 3.820 59.931 56.100 0.019 0.000 0.976 129 R CB -0.309 30.000 30.300 0.015 0.000 0.870 129 R HN -0.575 7.641 8.270 0.050 0.083 0.445 130 Q N -1.677 118.139 119.800 0.027 0.000 2.124 130 Q HA -0.306 4.047 4.340 0.022 0.000 0.202 130 Q C 2.483 178.499 176.000 0.026 0.000 0.977 130 Q CA 3.304 59.123 55.803 0.026 0.000 0.850 130 Q CB -0.203 28.551 28.738 0.027 0.000 0.901 130 Q HN 0.030 8.241 8.270 0.034 0.079 0.429 131 T N 2.335 116.906 114.554 0.028 0.000 2.737 131 T HA -0.262 4.104 4.350 0.027 0.000 0.265 131 T C 2.345 177.042 174.700 -0.004 0.000 1.038 131 T CA 4.379 66.490 62.100 0.019 0.000 1.144 131 T CB -0.197 68.685 68.868 0.023 0.000 0.866 131 T HN -0.162 8.005 8.240 0.036 0.094 0.434 132 L N -0.651 120.556 121.223 -0.027 0.000 2.362 132 L HA -0.252 4.013 4.340 -0.124 0.000 0.219 132 L C 1.113 177.995 176.870 0.019 0.000 1.134 132 L CA 2.350 57.160 54.840 -0.049 0.000 0.807 132 L CB -0.714 41.313 42.059 -0.054 0.000 0.927 132 L HN 0.163 8.278 8.230 -0.014 0.107 0.447 133 S N -1.916 113.798 115.700 0.024 0.000 2.383 133 S HA -0.103 4.389 4.470 0.036 0.000 0.227 133 S C 0.448 175.074 174.600 0.043 0.000 1.026 133 S CA 1.942 60.161 58.200 0.033 0.000 0.981 133 S CB 0.435 63.650 63.200 0.026 0.000 0.818 133 S HN -0.438 7.713 8.310 0.017 0.169 0.472 134 T N 3.912 118.492 114.554 0.043 0.000 2.902 134 T HA 0.046 4.420 4.350 0.041 0.000 0.301 134 T C -1.386 173.357 174.700 0.071 0.000 1.012 134 T CA -0.010 62.119 62.100 0.049 0.000 1.151 134 T CB 0.032 68.927 68.868 0.045 0.000 0.946 134 T HN -0.617 7.542 8.240 0.035 0.102 0.542 135 P HA 0.050 4.517 4.420 0.079 0.000 0.224 135 P C 0.126 177.463 177.300 0.063 0.000 1.157 135 P CA 0.599 63.737 63.100 0.063 0.000 0.799 135 P CB 0.655 32.379 31.700 0.041 0.000 0.809 136 G N -0.181 108.652 108.800 0.054 0.000 2.404 136 G HA2 -0.165 3.819 3.960 0.040 0.000 0.214 136 G HA3 -0.165 3.819 3.960 0.040 0.000 0.214 136 G C -0.457 174.481 174.900 0.063 0.000 1.189 136 G CA 0.405 45.534 45.100 0.048 0.000 0.789 136 G HN 0.307 8.626 8.290 0.048 0.000 0.533 137 T N 2.968 117.564 114.554 0.071 0.000 2.932 137 T HA -0.156 4.269 4.350 0.058 -0.040 0.312 137 T C -0.867 173.907 174.700 0.125 0.000 1.071 137 T CA 2.273 64.416 62.100 0.073 0.000 1.128 137 T CB 1.040 69.940 68.868 0.053 0.000 0.984 137 T HN -0.479 7.798 8.240 0.063 0.000 0.549 138 I N 5.036 125.670 120.570 0.108 0.000 2.464 138 I HA 0.019 4.390 4.170 0.334 0.000 0.277 138 I C -0.764 175.414 176.117 0.101 0.000 1.040 138 I CA -1.239 60.162 61.300 0.169 0.000 1.153 138 I CB 1.098 39.148 38.000 0.084 0.000 1.274 138 I HN 0.270 8.518 8.210 0.064 0.000 0.469 139 I N 7.938 128.571 120.570 0.105 0.000 2.683 139 I HA -0.005 4.237 4.170 -0.132 -0.152 0.286 139 I C -1.167 174.813 176.117 -0.227 0.000 1.175 139 I CA -0.427 60.798 61.300 -0.124 0.000 1.429 139 I CB -1.101 36.756 38.000 -0.237 0.000 1.371 139 I HN -0.094 8.275 8.210 0.265 0.000 0.569 140 L N 8.088 129.096 121.223 -0.359 0.000 2.482 140 L HA 0.894 5.192 4.340 -0.440 -0.222 0.269 140 L C -2.207 174.375 176.870 -0.480 0.000 0.967 140 L CA -0.827 53.780 54.840 -0.388 0.000 0.851 140 L CB 3.850 45.805 42.059 -0.173 0.000 1.242 140 L HN 0.321 8.373 8.230 -0.297 0.000 0.404 141 G N 3.577 111.981 108.800 -0.660 0.000 2.548 141 G HA2 0.608 4.482 3.960 -0.244 0.000 0.301 141 G HA3 0.608 4.342 3.960 -0.441 -0.039 0.301 141 G C -2.926 171.906 174.900 -0.113 0.000 1.349 141 G CA 0.604 45.461 45.100 -0.404 0.000 0.792 141 G HN 0.163 7.944 8.290 -0.848 0.000 0.481 142 T N 3.062 117.655 114.554 0.065 0.000 2.912 142 T HA 0.397 4.837 4.350 0.150 0.000 0.326 142 T C -0.602 174.196 174.700 0.164 0.000 1.080 142 T CA -0.322 61.854 62.100 0.126 0.000 1.000 142 T CB 0.225 69.126 68.868 0.056 0.000 1.008 142 T HN -0.244 8.011 8.240 0.025 0.000 0.473 143 I N 2.360 123.054 120.570 0.207 0.000 2.783 143 I HA 0.983 5.397 4.170 0.038 -0.221 0.312 143 I C -1.952 174.192 176.117 0.045 0.000 0.988 143 I CA -3.508 57.834 61.300 0.071 0.000 1.182 143 I CB 0.834 38.810 38.000 -0.040 0.000 1.368 143 I HN -0.018 8.360 8.210 0.281 0.000 0.511 144 P HA 0.120 4.558 4.420 0.030 0.000 0.277 144 P C 0.278 177.580 177.300 0.002 0.000 1.276 144 P CA -0.729 62.379 63.100 0.014 0.000 0.788 144 P CB 0.534 32.237 31.700 0.005 0.000 1.114 145 V N -4.214 115.703 119.914 0.006 0.000 2.881 145 V HA 0.496 4.612 4.120 -0.007 0.000 0.303 145 V C -0.731 175.353 176.094 -0.018 0.000 1.070 145 V CA -2.964 59.334 62.300 -0.003 0.000 1.074 145 V CB -0.407 31.419 31.823 0.005 0.000 1.012 145 V HN -0.101 8.096 8.190 0.012 0.000 0.482 146 P HA 0.059 4.457 4.420 -0.037 0.000 0.274 146 P C -1.154 176.133 177.300 -0.021 0.000 1.291 146 P CA -0.135 62.946 63.100 -0.032 0.000 0.815 146 P CB -0.346 31.330 31.700 -0.041 0.000 0.897 147 K N 6.460 126.848 120.400 -0.018 0.000 2.578 147 K HA 0.034 4.346 4.320 -0.014 0.000 0.250 147 K C 0.381 176.971 176.600 -0.016 0.000 0.955 147 K CA -0.466 55.812 56.287 -0.014 0.000 0.825 147 K CB 1.985 34.481 32.500 -0.007 0.000 1.151 147 K HN 0.143 8.380 8.250 -0.022 0.000 0.432 148 G N 6.923 115.713 108.800 -0.017 0.000 2.556 148 G HA2 -0.372 3.578 3.960 -0.017 0.000 0.283 148 G HA3 -0.372 3.579 3.960 -0.016 0.000 0.283 148 G C -0.832 174.054 174.900 -0.024 0.000 1.177 148 G CA -0.001 45.088 45.100 -0.018 0.000 0.978 148 G HN 0.198 8.478 8.290 -0.016 0.000 0.554 149 K N 4.187 124.572 120.400 -0.025 0.000 2.401 149 K HA 0.141 4.443 4.320 -0.030 0.000 0.278 149 K C -1.565 175.012 176.600 -0.038 0.000 1.018 149 K CA -1.705 54.563 56.287 -0.031 0.000 0.981 149 K CB 0.116 32.597 32.500 -0.031 0.000 0.933 149 K HN 0.193 8.429 8.250 -0.022 0.000 0.477 150 P HA 0.009 4.395 4.420 -0.056 0.000 0.271 150 P C -1.452 175.813 177.300 -0.059 0.000 1.220 150 P CA -0.518 62.551 63.100 -0.053 0.000 0.768 150 P CB 0.658 32.327 31.700 -0.052 0.000 0.848 151 L N 2.648 123.830 121.223 -0.068 0.000 2.418 151 L HA -0.069 4.424 4.340 -0.071 -0.195 0.274 151 L C 1.614 178.434 176.870 -0.083 0.000 1.135 151 L CA -0.741 54.053 54.840 -0.076 0.000 0.870 151 L CB -1.145 40.864 42.059 -0.084 0.000 1.154 151 L HN 0.046 8.233 8.230 -0.073 0.000 0.462 152 A N 4.090 126.864 122.820 -0.076 0.000 2.263 152 A HA -0.163 4.121 4.320 -0.061 0.000 0.205 152 A C -0.751 176.791 177.584 -0.069 0.000 1.226 152 A CA 1.641 53.638 52.037 -0.066 0.000 0.810 152 A CB -0.519 18.447 19.000 -0.057 0.000 0.784 152 A HN 0.686 8.790 8.150 -0.075 0.000 0.486 153 L N -3.718 117.445 121.223 -0.100 0.000 2.815 153 L HA 0.192 4.581 4.340 -0.093 -0.104 0.241 153 L C 0.732 177.503 176.870 -0.165 0.000 1.047 153 L CA 1.875 56.637 54.840 -0.131 0.000 0.939 153 L CB 1.958 43.899 42.059 -0.196 0.000 1.490 153 L HN -0.600 7.417 8.230 -0.108 0.148 0.510 154 V N 0.562 120.372 119.914 -0.173 0.000 2.720 154 V HA -0.456 3.513 4.120 -0.253 0.000 0.256 154 V C 1.963 177.947 176.094 -0.182 0.000 1.082 154 V CA 3.818 65.997 62.300 -0.203 0.000 1.101 154 V CB -0.916 30.799 31.823 -0.181 0.000 0.693 154 V HN -0.703 7.396 8.190 -0.152 0.000 0.479 155 E N 0.366 120.487 120.200 -0.132 0.000 2.085 155 E HA -0.428 3.857 4.350 -0.108 0.000 0.194 155 E C 2.102 178.639 176.600 -0.105 0.000 0.994 155 E CA 3.840 60.177 56.400 -0.106 0.000 0.801 155 E CB -0.428 29.226 29.700 -0.077 0.000 0.743 155 E HN -0.229 8.015 8.360 -0.118 0.045 0.453 156 E N -2.928 117.211 120.200 -0.102 0.000 2.153 156 E HA -0.238 4.076 4.350 -0.060 0.000 0.194 156 E C 1.527 178.066 176.600 -0.101 0.000 0.988 156 E CA 2.221 58.573 56.400 -0.080 0.000 0.811 156 E CB -0.486 29.177 29.700 -0.061 0.000 0.746 156 E HN -0.442 7.858 8.360 -0.101 0.000 0.466 157 I N -2.928 117.541 120.570 -0.169 0.000 2.628 157 I HA -0.141 3.935 4.170 -0.156 0.000 0.255 157 I C 1.705 177.688 176.117 -0.225 0.000 1.119 157 I CA 1.610 62.767 61.300 -0.238 0.000 1.448 157 I CB 0.580 38.285 38.000 -0.491 0.000 1.133 157 I HN -0.807 7.156 8.210 -0.190 0.134 0.438 158 R N 0.959 121.329 120.500 -0.217 0.000 2.117 158 R HA -0.484 3.739 4.340 -0.194 0.000 0.243 158 R C 2.317 178.553 176.300 -0.107 0.000 1.143 158 R CA 3.687 59.687 56.100 -0.167 0.000 0.968 158 R CB -0.456 29.760 30.300 -0.140 0.000 0.863 158 R HN 0.527 8.488 8.270 -0.222 0.176 0.444 159 N N -1.419 117.229 118.700 -0.087 0.000 2.122 159 N HA -0.310 4.401 4.740 -0.048 0.000 0.199 159 N C 1.688 177.174 175.510 -0.040 0.000 1.007 159 N CA 3.004 56.021 53.050 -0.055 0.000 0.892 159 N CB -0.212 38.247 38.487 -0.047 0.000 1.050 159 N HN -0.010 8.313 8.380 -0.097 -0.001 0.468 160 R N -2.988 117.490 120.500 -0.037 0.000 2.075 160 R HA -0.087 4.259 4.340 0.010 0.000 0.232 160 R C 1.596 177.892 176.300 -0.007 0.000 1.126 160 R CA 0.524 56.624 56.100 0.000 0.000 0.963 160 R CB -0.093 30.237 30.300 0.049 0.000 0.858 160 R HN 0.043 8.131 8.270 -0.061 0.146 0.435 161 K N -5.426 114.956 120.400 -0.030 0.000 5.191 161 K HA -0.347 3.944 4.320 -0.048 0.000 0.418 161 K C 0.099 176.686 176.600 -0.021 0.000 0.479 161 K CA 2.853 59.120 56.287 -0.033 0.000 1.786 161 K CB -1.401 31.082 32.500 -0.029 0.000 1.038 161 K HN -0.326 7.893 8.250 -0.052 0.000 0.609 162 D N -1.616 118.783 120.400 -0.002 0.000 2.265 162 D HA -0.137 4.490 4.640 -0.021 0.000 0.208 162 D C 0.831 177.132 176.300 0.001 0.000 0.977 162 D CA 1.506 55.503 54.000 -0.005 0.000 0.871 162 D CB 0.308 41.109 40.800 0.002 0.000 0.925 162 D HN -0.038 8.221 8.370 0.003 0.113 0.485 163 V N -6.236 113.708 119.914 0.051 0.000 2.655 163 V HA -0.129 4.229 4.120 0.118 -0.166 0.300 163 V C -0.509 175.587 176.094 0.004 0.000 1.044 163 V CA -0.287 62.080 62.300 0.112 0.000 1.095 163 V CB 0.815 32.803 31.823 0.275 0.000 0.952 163 V HN -0.638 7.523 8.190 0.047 0.058 0.485 164 K N 6.621 126.983 120.400 -0.062 0.000 2.382 164 K HA -0.089 4.073 4.320 -0.263 0.000 0.275 164 K C -1.191 175.249 176.600 -0.267 0.000 1.009 164 K CA -0.399 55.724 56.287 -0.274 0.000 0.970 164 K CB 0.444 32.675 32.500 -0.449 0.000 0.934 164 K HN 0.368 8.611 8.250 -0.012 0.000 0.479 165 V N 5.635 125.346 119.914 -0.338 0.000 2.325 165 V HA 0.417 4.706 4.120 -0.043 -0.195 0.280 165 V C -0.676 175.308 176.094 -0.184 0.000 1.016 165 V CA -0.826 61.377 62.300 -0.163 0.000 0.818 165 V CB 0.312 32.091 31.823 -0.074 0.000 1.019 165 V HN 0.121 8.091 8.190 -0.368 0.000 0.434 166 F N 7.686 127.672 119.950 0.060 0.000 2.377 166 F HA 0.063 4.609 4.527 0.031 0.000 0.360 166 F C -1.157 174.664 175.800 0.035 0.000 1.147 166 F CA -2.246 55.778 58.000 0.039 0.000 1.170 166 F CB -0.534 38.485 39.000 0.031 0.000 1.339 166 F HN 0.958 9.318 8.300 0.100 0.000 0.552 167 N N 4.515 123.341 118.700 0.211 0.000 2.406 167 N HA -0.167 4.800 4.740 0.107 -0.164 0.274 167 N C -0.264 175.316 175.510 0.117 0.000 1.249 167 N CA 0.656 53.782 53.050 0.127 0.000 0.951 167 N CB 0.164 38.702 38.487 0.086 0.000 1.241 167 N HN 0.125 8.634 8.380 0.215 0.000 0.485 168 V N 5.576 125.547 119.914 0.094 0.000 3.237 168 V HA -0.001 4.152 4.120 0.055 0.000 0.305 168 V C -0.353 175.770 176.094 0.048 0.000 1.096 168 V CA -0.122 62.214 62.300 0.060 0.000 1.130 168 V CB 1.676 33.526 31.823 0.044 0.000 1.048 168 V HN 0.526 8.773 8.190 0.095 0.000 0.484 169 T N -2.152 112.425 114.554 0.037 0.000 2.926 169 T HA 0.489 4.858 4.350 0.031 0.000 0.289 169 T C -0.172 174.545 174.700 0.028 0.000 1.054 169 T CA -2.646 59.473 62.100 0.031 0.000 1.015 169 T CB 2.475 71.360 68.868 0.028 0.000 1.167 169 T HN -0.574 7.687 8.240 0.035 0.000 0.526 170 K N -1.077 119.338 120.400 0.025 0.000 2.432 170 K HA -0.164 4.169 4.320 0.020 0.000 0.196 170 K C 0.020 176.634 176.600 0.024 0.000 1.038 170 K CA 1.792 58.092 56.287 0.022 0.000 0.986 170 K CB -0.264 32.248 32.500 0.020 0.000 0.782 170 K HN 0.506 8.771 8.250 0.024 0.000 0.485 171 E N -0.432 119.784 120.200 0.027 0.000 2.011 171 E HA -0.086 4.280 4.350 0.027 0.000 0.191 171 E C 1.540 178.168 176.600 0.048 0.000 0.979 171 E CA 1.460 57.877 56.400 0.029 0.000 0.822 171 E CB -0.004 29.707 29.700 0.019 0.000 0.782 171 E HN -0.117 8.193 8.360 0.026 0.065 0.459 172 N N -0.812 117.921 118.700 0.054 0.000 2.410 172 N HA 0.005 4.858 4.740 0.188 0.000 0.231 172 N C 0.126 175.699 175.510 0.106 0.000 1.172 172 N CA -0.474 52.643 53.050 0.111 0.000 0.849 172 N CB -0.687 37.825 38.487 0.041 0.000 1.116 172 N HN -0.051 8.351 8.380 0.037 0.000 0.485 173 R N 1.683 122.217 120.500 0.056 0.000 2.094 173 R HA -0.362 4.077 4.340 0.021 -0.087 0.239 173 R C 1.377 177.675 176.300 -0.004 0.000 1.137 173 R CA 4.113 60.226 56.100 0.022 0.000 0.943 173 R CB -0.164 30.142 30.300 0.010 0.000 0.850 173 R HN -0.618 7.577 8.270 0.051 0.105 0.433 174 N N -5.214 113.470 118.700 -0.026 0.000 2.521 174 N HA -0.054 4.633 4.740 -0.087 0.000 0.188 174 N C 0.445 175.837 175.510 -0.198 0.000 1.146 174 N CA 1.008 53.998 53.050 -0.101 0.000 0.893 174 N CB -0.549 37.868 38.487 -0.117 0.000 0.975 174 N HN 0.338 8.714 8.380 -0.007 0.000 0.451 175 H N -1.031 118.003 119.070 -0.061 0.000 2.544 175 H HA 0.046 4.561 4.556 -0.067 0.000 0.269 175 H C 0.952 176.209 175.328 -0.120 0.000 0.970 175 H CA 2.431 58.434 56.048 -0.075 0.000 1.219 175 H CB 1.252 30.976 29.762 -0.063 0.000 1.421 175 H HN -0.307 7.797 8.280 0.062 0.213 0.555 176 L N -1.048 120.140 121.223 -0.060 0.000 2.313 176 L HA -0.149 4.063 4.340 -0.215 0.000 0.214 176 L C 0.954 177.687 176.870 -0.229 0.000 1.119 176 L CA 1.254 55.986 54.840 -0.179 0.000 0.809 176 L CB 0.108 42.063 42.059 -0.174 0.000 0.933 176 L HN -0.765 7.411 8.230 -0.039 0.031 0.449 177 L N 0.356 121.486 121.223 -0.156 0.000 1.963 177 L HA -0.244 4.014 4.340 -0.137 0.000 0.220 177 L C -1.145 175.642 176.870 -0.138 0.000 1.076 177 L CA 5.491 60.249 54.840 -0.137 0.000 0.772 177 L CB -2.790 39.204 42.059 -0.109 0.000 0.892 177 L HN -0.121 7.997 8.230 -0.131 0.034 0.435 178 P HA -0.111 4.267 4.420 -0.069 0.000 0.220 178 P C 1.542 178.774 177.300 -0.113 0.000 1.148 178 P CA 2.898 65.946 63.100 -0.087 0.000 0.803 178 P CB -0.901 30.767 31.700 -0.054 0.000 0.782 179 D N -1.416 118.864 120.400 -0.201 0.000 2.178 179 D HA -0.203 4.349 4.640 -0.146 0.000 0.202 179 D C 2.364 178.417 176.300 -0.412 0.000 0.974 179 D CA 4.098 57.915 54.000 -0.304 0.000 0.841 179 D CB -0.112 40.417 40.800 -0.452 0.000 0.953 179 D HN -0.761 7.350 8.370 -0.212 0.132 0.478 180 I N 0.220 120.521 120.570 -0.449 0.000 2.163 180 I HA -0.453 3.798 4.170 0.136 0.000 0.240 180 I C 1.642 177.769 176.117 0.018 0.000 1.081 180 I CA 4.320 65.541 61.300 -0.131 0.000 1.353 180 I CB 0.148 38.086 38.000 -0.103 0.000 1.054 180 I HN -0.130 7.818 8.210 -0.415 0.013 0.407 181 V N -0.006 119.888 119.914 -0.034 0.000 2.469 181 V HA -0.518 3.605 4.120 0.005 0.000 0.251 181 V C 2.221 178.324 176.094 0.015 0.000 1.064 181 V CA 4.400 66.696 62.300 -0.007 0.000 1.066 181 V CB -1.409 30.399 31.823 -0.025 0.000 0.667 181 V HN -0.284 7.857 8.190 -0.082 0.000 0.461 182 T N 2.218 116.781 114.554 0.016 0.000 2.720 182 T HA -0.353 4.011 4.350 0.024 0.000 0.268 182 T C 2.129 176.870 174.700 0.068 0.000 1.037 182 T CA 4.974 67.097 62.100 0.037 0.000 1.144 182 T CB -0.616 68.273 68.868 0.036 0.000 0.864 182 T HN 0.379 8.598 8.240 -0.014 0.012 0.444 183 C N 0.352 119.726 119.300 0.123 0.000 2.466 183 C HA -0.288 4.231 4.460 0.098 0.000 0.278 183 C C 1.046 176.078 174.990 0.070 0.000 1.288 183 C CA 3.261 62.356 59.018 0.127 0.000 1.722 183 C CB -0.311 27.572 27.740 0.238 0.000 2.017 183 C HN -0.418 7.781 8.230 0.149 0.120 0.488 184 V N -1.038 118.914 119.914 0.065 0.000 2.237 184 V HA -0.362 3.775 4.120 0.028 0.000 0.245 184 V C 2.257 178.364 176.094 0.021 0.000 1.046 184 V CA 4.112 66.433 62.300 0.035 0.000 1.007 184 V CB 0.314 32.154 31.823 0.028 0.000 0.638 184 V HN -0.299 7.867 8.190 0.081 0.073 0.445 185 Q N -1.455 118.356 119.800 0.020 0.000 2.515 185 Q HA -0.228 4.118 4.340 0.010 0.000 0.212 185 Q C 1.844 177.851 176.000 0.012 0.000 0.970 185 Q CA 1.601 57.412 55.803 0.013 0.000 0.941 185 Q CB -1.164 27.580 28.738 0.010 0.000 0.998 185 Q HN 0.463 8.747 8.270 0.023 0.000 0.518 186 S N 0.400 116.110 115.700 0.017 0.000 2.442 186 S HA -0.242 4.236 4.470 0.012 0.000 0.236 186 S C 0.343 174.945 174.600 0.003 0.000 1.007 186 S CA 1.997 60.205 58.200 0.012 0.000 0.965 186 S CB -0.123 63.087 63.200 0.017 0.000 0.773 186 S HN -0.453 7.696 8.310 0.024 0.176 0.504 187 S N 1.306 117.006 115.700 0.001 0.000 2.516 187 S HA -0.110 4.356 4.470 -0.007 0.000 0.282 187 S C -0.642 173.959 174.600 0.001 0.000 1.286 187 S CA 0.756 58.954 58.200 -0.003 0.000 1.066 187 S CB 0.523 63.720 63.200 -0.005 0.000 0.884 187 S HN -0.503 7.661 8.310 0.004 0.148 0.491 188 R N 6.214 126.714 120.500 0.000 0.000 2.763 188 R HA -0.369 3.973 4.340 0.002 0.000 0.348 188 R C -0.633 175.669 176.300 0.004 0.000 0.826 188 R CA 0.754 56.855 56.100 0.002 0.000 1.109 188 R CB -0.726 29.575 30.300 0.001 0.000 0.889 188 R HN 0.198 8.467 8.270 -0.002 0.000 0.402 189 K N 0.000 120.402 120.400 0.004 0.000 2.780 189 K HA 0.000 4.323 4.320 0.005 0.000 0.191 189 K CA 0.000 56.290 56.287 0.005 0.000 0.838 189 K CB 0.000 32.503 32.500 0.005 0.000 1.064 189 K HN 0.000 8.252 8.250 0.004 0.000 0.543