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 1cz4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESNNGIILR VAEANSTDPG MSRVRLDESS RRLLDAEIGD VVEIEKVRKT DATA SEQUENCE VGRVYRARPE DENKGIVRID SVMRNNCGAS IGDKVKVRKV RTEIAKKVTL DATA SEQUENCE APIIRKDQRL KFGEGIEEYV QRALIRRPML EQDNISVPGL TLAGQTGLLF DATA SEQUENCE KVVKTLPSKV PVEIGEETKI EIREEPASEV LEEGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.300 176.300 0.001 0.000 1.140 1 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 E N 1.949 122.149 120.200 0.001 0.000 2.085 2 E HA -0.051 4.299 4.350 0.001 0.000 0.194 2 E C -0.240 176.360 176.600 0.001 0.000 0.994 2 E CA 1.051 57.452 56.400 0.001 0.000 0.801 2 E CB 0.365 30.065 29.700 0.001 0.000 0.743 2 E HN 0.077 8.438 8.360 0.001 0.000 0.453 3 S N -0.271 115.429 115.700 0.001 0.000 3.631 3 S HA -0.251 4.220 4.470 0.001 0.000 0.366 3 S C -1.565 173.036 174.600 0.002 0.000 0.993 3 S CA 0.047 58.248 58.200 0.001 0.000 1.167 3 S CB -0.936 62.265 63.200 0.001 0.000 0.909 3 S HN -0.047 8.257 8.310 0.001 0.007 0.478 4 N N 0.370 119.072 118.700 0.002 0.000 2.419 4 N HA -0.066 4.676 4.740 0.003 0.000 0.264 4 N C -1.295 174.217 175.510 0.003 0.000 1.031 4 N CA 0.217 53.268 53.050 0.003 0.000 0.951 4 N CB 0.633 39.122 38.487 0.003 0.000 1.101 4 N HN -0.169 8.212 8.380 0.002 0.000 0.488 5 N N 5.463 124.165 118.700 0.003 0.000 3.316 5 N HA 0.274 5.016 4.740 0.004 0.000 0.300 5 N C -2.053 173.460 175.510 0.005 0.000 1.567 5 N CA -1.260 51.793 53.050 0.004 0.000 0.821 5 N CB 2.723 41.212 38.487 0.003 0.000 1.748 5 N HN 0.210 8.592 8.380 0.004 0.000 0.603 6 G N -2.760 106.043 108.800 0.005 0.000 2.947 6 G HA2 0.682 4.616 3.960 0.006 0.000 0.293 6 G HA3 0.682 4.743 3.960 0.006 -0.097 0.293 6 G C -2.095 172.809 174.900 0.005 0.000 1.243 6 G CA -0.820 44.284 45.100 0.006 0.000 0.802 6 G HN -0.087 8.206 8.290 0.004 0.000 0.560 7 I N -4.880 115.694 120.570 0.006 0.000 2.865 7 I HA 0.488 4.661 4.170 0.005 0.000 0.302 7 I C -1.492 174.628 176.117 0.005 0.000 1.140 7 I CA -1.435 59.868 61.300 0.005 0.000 1.021 7 I CB 3.959 41.962 38.000 0.006 0.000 1.233 7 I HN 0.371 8.483 8.210 0.007 0.102 0.427 8 I N 3.204 123.776 120.570 0.004 0.000 2.304 8 I HA 0.493 4.859 4.170 0.004 -0.193 0.291 8 I C -0.064 176.056 176.117 0.004 0.000 1.018 8 I CA -0.107 61.195 61.300 0.004 0.000 1.260 8 I CB -0.099 37.903 38.000 0.003 0.000 1.390 8 I HN 0.114 8.327 8.210 0.004 0.000 0.475 9 L N 3.332 124.557 121.223 0.004 0.000 2.205 9 L HA 0.617 4.960 4.340 0.004 0.000 0.242 9 L C -2.592 174.280 176.870 0.003 0.000 1.115 9 L CA -2.588 52.255 54.840 0.004 0.000 0.987 9 L CB 2.632 44.695 42.059 0.006 0.000 1.568 9 L HN 0.750 8.982 8.230 0.004 0.000 0.450 10 R N -0.519 119.983 120.500 0.003 0.000 2.393 10 R HA 0.655 5.255 4.340 0.002 -0.259 0.310 10 R C -0.557 175.744 176.300 0.002 0.000 0.968 10 R CA -1.886 54.215 56.100 0.002 0.000 0.867 10 R CB 2.705 33.007 30.300 0.002 0.000 1.124 10 R HN 0.372 8.538 8.270 0.004 0.106 0.450 11 V N 6.011 125.925 119.914 0.001 0.000 2.673 11 V HA -0.123 3.996 4.120 -0.001 0.000 0.303 11 V C -1.898 174.195 176.094 -0.002 0.000 1.046 11 V CA 0.501 62.801 62.300 -0.001 0.000 1.126 11 V CB 1.041 32.863 31.823 -0.002 0.000 0.934 11 V HN -0.234 7.956 8.190 0.000 0.000 0.487 12 A N 8.738 131.557 122.820 -0.003 0.000 2.380 12 A HA 0.667 4.986 4.320 -0.002 0.000 0.315 12 A C -2.760 174.820 177.584 -0.006 0.000 1.101 12 A CA -1.551 50.485 52.037 -0.003 0.000 0.771 12 A CB 3.057 22.057 19.000 -0.001 0.000 1.287 12 A HN 1.050 9.117 8.150 -0.004 0.080 0.436 13 E N -1.080 119.117 120.200 -0.005 0.000 2.419 13 E HA 0.048 4.392 4.350 -0.010 0.000 0.285 13 E C -2.484 174.113 176.600 -0.005 0.000 1.079 13 E CA 0.139 56.535 56.400 -0.007 0.000 0.864 13 E CB 2.518 32.213 29.700 -0.008 0.000 1.216 13 E HN 0.183 8.541 8.360 -0.003 0.000 0.428 14 A N 2.317 125.134 122.820 -0.006 0.000 2.469 14 A HA 0.340 4.658 4.320 -0.003 0.000 0.299 14 A C -1.377 176.205 177.584 -0.004 0.000 1.098 14 A CA -1.249 50.785 52.037 -0.004 0.000 0.737 14 A CB 1.287 20.285 19.000 -0.003 0.000 1.312 14 A HN 0.343 8.489 8.150 -0.008 0.000 0.414 15 N N -0.809 117.889 118.700 -0.003 0.000 2.258 15 N HA -0.246 4.493 4.740 -0.003 0.000 0.187 15 N C 0.050 175.558 175.510 -0.003 0.000 1.012 15 N CA 1.424 54.473 53.050 -0.002 0.000 0.870 15 N CB 0.237 38.723 38.487 -0.001 0.000 0.977 15 N HN 0.189 8.568 8.380 -0.002 0.000 0.434 16 S N -3.820 111.879 115.700 -0.003 0.000 2.569 16 S HA -0.027 4.441 4.470 -0.002 0.000 0.274 16 S C 0.660 175.256 174.600 -0.006 0.000 1.353 16 S CA 0.027 58.225 58.200 -0.003 0.000 1.023 16 S CB 0.974 64.172 63.200 -0.003 0.000 0.876 16 S HN -0.551 7.722 8.310 -0.003 0.035 0.540 17 T N -3.719 110.832 114.554 -0.006 0.000 2.746 17 T HA -0.284 4.062 4.350 -0.007 0.000 0.267 17 T C -0.287 174.405 174.700 -0.013 0.000 1.039 17 T CA 1.970 64.065 62.100 -0.008 0.000 1.142 17 T CB 0.100 68.964 68.868 -0.006 0.000 0.866 17 T HN 0.101 8.339 8.240 -0.004 0.000 0.444 18 D N -1.048 119.343 120.400 -0.014 0.000 2.755 18 D HA -0.225 4.402 4.640 -0.022 0.000 0.227 18 D C -2.042 174.238 176.300 -0.034 0.000 1.211 18 D CA -0.147 53.840 54.000 -0.023 0.000 0.663 18 D CB -1.914 38.873 40.800 -0.021 0.000 0.983 18 D HN 0.133 8.489 8.370 -0.010 0.008 0.407 19 P HA -0.218 4.334 4.420 -0.035 -0.153 0.271 19 P C 0.012 177.270 177.300 -0.070 0.000 1.244 19 P CA 0.267 63.342 63.100 -0.040 0.000 0.793 19 P CB 0.489 32.172 31.700 -0.029 0.000 0.984 20 G N 0.471 109.225 108.800 -0.078 0.000 2.858 20 G HA2 -0.135 3.758 3.960 -0.113 0.000 0.272 20 G HA3 -0.135 3.720 3.960 -0.175 0.000 0.272 20 G C 0.119 174.944 174.900 -0.125 0.000 1.003 20 G CA -0.341 44.683 45.100 -0.126 0.000 1.241 20 G HN 0.127 8.382 8.290 -0.058 0.000 0.569 21 M N -0.707 118.840 119.600 -0.089 0.000 2.541 21 M HA 0.037 4.475 4.480 -0.071 0.000 0.252 21 M C -0.913 175.340 176.300 -0.077 0.000 1.125 21 M CA 1.402 56.659 55.300 -0.072 0.000 1.091 21 M CB 0.287 32.861 32.600 -0.044 0.000 1.420 21 M HN -0.034 8.212 8.290 -0.074 0.000 0.486 22 S N -3.376 112.267 115.700 -0.094 0.000 2.556 22 S HA 0.074 4.513 4.470 -0.051 0.000 0.216 22 S C -0.629 173.902 174.600 -0.116 0.000 0.970 22 S CA -0.841 57.314 58.200 -0.075 0.000 0.912 22 S CB 0.649 63.818 63.200 -0.051 0.000 0.790 22 S HN -0.334 7.863 8.310 -0.106 0.049 0.504 23 R N 1.654 122.008 120.500 -0.242 0.000 2.387 23 R HA 0.125 4.279 4.340 -0.310 0.000 0.314 23 R C -1.432 174.704 176.300 -0.274 0.000 0.958 23 R CA -0.761 55.053 56.100 -0.476 0.000 0.846 23 R CB 2.246 31.862 30.300 -1.139 0.000 1.147 23 R HN -0.922 7.144 8.270 -0.230 0.067 0.447 24 V N 4.341 124.212 119.914 -0.072 0.000 2.347 24 V HA 0.137 4.234 4.120 -0.038 0.000 0.280 24 V C -1.776 174.373 176.094 0.092 0.000 1.021 24 V CA -0.996 61.306 62.300 0.003 0.000 0.847 24 V CB 2.209 34.054 31.823 0.036 0.000 0.990 24 V HN 0.926 9.043 8.190 0.057 0.108 0.444 25 R N 8.291 128.827 120.500 0.059 0.000 2.216 25 R HA 0.439 4.941 4.340 0.200 -0.042 0.332 25 R C -1.779 174.563 176.300 0.070 0.000 1.056 25 R CA -0.210 55.957 56.100 0.111 0.000 0.901 25 R CB 0.505 30.852 30.300 0.077 0.000 1.039 25 R HN 0.052 8.324 8.270 0.003 0.000 0.456 26 L N 4.975 126.242 121.223 0.073 0.000 2.257 26 L HA 0.578 4.938 4.340 0.035 0.000 0.257 26 L C -1.402 175.489 176.870 0.035 0.000 1.033 26 L CA -1.947 52.919 54.840 0.044 0.000 0.835 26 L CB 5.049 47.133 42.059 0.041 0.000 1.398 26 L HN 0.651 8.831 8.230 0.095 0.107 0.429 27 D N -1.595 118.819 120.400 0.023 0.000 2.466 27 D HA 0.205 4.855 4.640 0.018 0.000 0.262 27 D C 0.905 177.213 176.300 0.013 0.000 1.177 27 D CA -1.486 52.524 54.000 0.017 0.000 1.035 27 D CB 1.511 42.319 40.800 0.013 0.000 1.105 27 D HN 0.005 8.388 8.370 0.021 0.000 0.551 28 E N -1.620 118.585 120.200 0.008 0.000 2.085 28 E HA -0.395 3.957 4.350 0.002 0.000 0.194 28 E C 1.807 178.410 176.600 0.005 0.000 0.994 28 E CA 4.059 60.461 56.400 0.004 0.000 0.801 28 E CB -0.171 29.530 29.700 0.002 0.000 0.743 28 E HN 0.585 8.950 8.360 0.008 0.000 0.453 29 S N -0.903 114.801 115.700 0.006 0.000 2.368 29 S HA -0.244 4.228 4.470 0.004 0.000 0.224 29 S C 2.131 176.735 174.600 0.007 0.000 1.029 29 S CA 2.673 60.877 58.200 0.005 0.000 0.988 29 S CB -0.317 62.886 63.200 0.005 0.000 0.838 29 S HN -0.423 7.999 8.310 0.006 -0.109 0.462 30 S N 2.230 117.936 115.700 0.009 0.000 2.382 30 S HA -0.326 4.150 4.470 0.010 0.000 0.228 30 S C 1.618 176.225 174.600 0.012 0.000 1.027 30 S CA 3.846 62.053 58.200 0.011 0.000 0.991 30 S CB 0.045 63.254 63.200 0.015 0.000 0.823 30 S HN 0.463 9.484 8.310 0.010 -0.705 0.469 31 R N 0.116 120.623 120.500 0.012 0.000 2.073 31 R HA -0.264 4.085 4.340 0.015 0.000 0.229 31 R C 1.549 177.853 176.300 0.006 0.000 1.120 31 R CA 2.733 58.840 56.100 0.011 0.000 0.967 31 R CB 0.291 30.596 30.300 0.009 0.000 0.862 31 R HN -0.203 8.066 8.270 0.012 0.008 0.436 32 R N -2.123 118.379 120.500 0.004 0.000 2.280 32 R HA -0.116 4.224 4.340 0.000 0.000 0.195 32 R C 2.080 178.381 176.300 0.002 0.000 0.935 32 R CA 1.320 57.421 56.100 0.001 0.000 1.033 32 R CB 0.001 30.301 30.300 -0.000 0.000 0.964 32 R HN 0.142 8.290 8.270 0.004 0.125 0.489 33 L N -2.601 118.625 121.223 0.004 0.000 2.127 33 L HA -0.189 4.153 4.340 0.003 0.000 0.211 33 L C 0.776 177.648 176.870 0.003 0.000 1.089 33 L CA 3.018 57.860 54.840 0.003 0.000 0.757 33 L CB -0.751 41.310 42.059 0.004 0.000 0.899 33 L HN 0.108 8.211 8.230 0.005 0.130 0.434 34 L N -2.929 118.296 121.223 0.004 0.000 2.630 34 L HA 0.048 4.389 4.340 0.003 0.000 0.180 34 L C 0.729 177.600 176.870 0.002 0.000 1.221 34 L CA 1.211 56.053 54.840 0.003 0.000 0.853 34 L CB 1.120 43.181 42.059 0.005 0.000 1.172 34 L HN -0.670 7.545 8.230 0.005 0.018 0.508 35 D N -4.342 116.059 120.400 0.002 0.000 1.926 35 D HA -0.089 4.551 4.640 -0.000 0.000 0.677 35 D C -1.236 175.065 176.300 0.000 0.000 0.730 35 D CA 0.054 54.054 54.000 0.001 0.000 1.200 35 D CB 1.096 41.897 40.800 0.001 0.000 1.355 35 D HN -0.274 8.098 8.370 0.004 0.000 0.422 36 A N 0.689 123.511 122.820 0.003 0.000 2.570 36 A HA -0.305 4.018 4.320 0.006 0.000 0.274 36 A C -0.515 177.068 177.584 -0.002 0.000 0.943 36 A CA 1.269 53.308 52.037 0.005 0.000 0.983 36 A CB -0.642 18.364 19.000 0.011 0.000 0.802 36 A HN -0.246 7.907 8.150 0.005 0.000 0.456 37 E N 3.311 123.507 120.200 -0.007 0.000 2.285 37 E HA 0.216 4.555 4.350 -0.017 0.000 0.254 37 E C -0.343 176.238 176.600 -0.030 0.000 1.011 37 E CA -2.287 54.102 56.400 -0.017 0.000 0.873 37 E CB 2.744 32.434 29.700 -0.017 0.000 1.229 37 E HN 0.625 9.462 8.360 -0.004 -0.479 0.422 38 I N 0.113 120.654 120.570 -0.049 0.000 2.742 38 I HA -0.410 3.697 4.170 -0.105 0.000 0.287 38 I C 1.161 177.225 176.117 -0.089 0.000 1.186 38 I CA 1.218 62.465 61.300 -0.089 0.000 1.417 38 I CB -1.737 36.206 38.000 -0.096 0.000 1.377 38 I HN 0.194 8.378 8.210 -0.043 0.000 0.556 39 G N 8.260 116.997 108.800 -0.104 0.000 2.198 39 G HA2 -0.458 3.475 3.960 -0.045 0.000 0.257 39 G HA3 -0.458 3.455 3.960 -0.078 0.000 0.257 39 G C -0.918 173.976 174.900 -0.009 0.000 1.042 39 G CA -0.004 45.059 45.100 -0.062 0.000 0.791 39 G HN 0.429 8.641 8.290 -0.131 0.000 0.502 40 D N -1.019 119.382 120.400 0.002 0.000 2.451 40 D HA 0.131 4.775 4.640 0.006 0.000 0.259 40 D C -0.750 175.567 176.300 0.029 0.000 1.201 40 D CA -0.452 53.555 54.000 0.011 0.000 1.028 40 D CB 1.712 42.516 40.800 0.007 0.000 1.095 40 D HN -0.672 7.698 8.370 -0.001 0.000 0.539 41 V N 0.195 120.123 119.914 0.022 0.000 2.383 41 V HA 0.061 4.201 4.120 0.035 0.000 0.275 41 V C -1.265 174.843 176.094 0.024 0.000 1.036 41 V CA 0.133 62.448 62.300 0.026 0.000 0.889 41 V CB 0.787 32.620 31.823 0.016 0.000 0.985 41 V HN -0.161 8.038 8.190 0.015 0.000 0.459 42 V N 4.825 124.756 119.914 0.029 0.000 2.555 42 V HA 0.765 5.007 4.120 0.019 -0.111 0.302 42 V C -2.280 173.824 176.094 0.016 0.000 1.038 42 V CA -3.486 58.828 62.300 0.023 0.000 0.887 42 V CB 2.860 34.702 31.823 0.033 0.000 0.991 42 V HN 0.696 8.806 8.190 0.036 0.101 0.434 43 E N 5.455 125.662 120.200 0.012 0.000 2.191 43 E HA 0.480 4.925 4.350 0.007 -0.090 0.274 43 E C -1.599 175.005 176.600 0.007 0.000 0.948 43 E CA -2.073 54.332 56.400 0.008 0.000 0.802 43 E CB 3.420 33.124 29.700 0.006 0.000 1.137 43 E HN 0.930 9.183 8.360 0.012 0.114 0.397 44 I N 3.949 124.521 120.570 0.005 0.000 2.646 44 I HA 0.466 4.787 4.170 0.005 -0.148 0.299 44 I C -1.876 174.243 176.117 0.003 0.000 1.036 44 I CA -1.422 59.881 61.300 0.004 0.000 1.074 44 I CB 3.882 41.883 38.000 0.002 0.000 1.258 44 I HN 0.930 9.006 8.210 0.003 0.135 0.430 45 E N 4.061 124.263 120.200 0.003 0.000 2.542 45 E HA 0.617 5.241 4.350 0.002 -0.273 0.298 45 E C -1.089 175.512 176.600 0.002 0.000 0.980 45 E CA -1.052 55.350 56.400 0.002 0.000 0.792 45 E CB 2.972 32.674 29.700 0.003 0.000 1.463 45 E HN 0.266 8.628 8.360 0.003 0.000 0.389 46 K N 7.327 127.728 120.400 0.002 0.000 2.159 46 K HA 0.053 4.374 4.320 0.002 0.000 0.210 46 K C -0.497 176.104 176.600 0.001 0.000 1.026 46 K CA 2.216 58.503 56.287 0.001 0.000 0.959 46 K CB 0.682 33.183 32.500 0.001 0.000 0.890 46 K HN 0.007 8.258 8.250 0.001 0.000 0.459 47 V N -5.562 114.353 119.914 0.001 0.000 2.922 47 V HA 0.191 4.312 4.120 0.001 0.000 0.242 47 V C 0.040 176.135 176.094 0.002 0.000 1.094 47 V CA 0.364 62.665 62.300 0.001 0.000 1.106 47 V CB 0.540 32.364 31.823 0.001 0.000 0.799 47 V HN -0.143 8.048 8.190 0.001 0.000 0.474 48 R N -1.559 118.943 120.500 0.002 0.000 2.947 48 R HA 0.109 4.451 4.340 0.003 0.000 0.253 48 R C -1.564 174.738 176.300 0.003 0.000 1.208 48 R CA -1.985 54.116 56.100 0.003 0.000 1.012 48 R CB 3.031 33.334 30.300 0.004 0.000 1.267 48 R HN -0.578 7.693 8.270 0.002 0.000 0.473 49 K N -0.108 120.294 120.400 0.003 0.000 2.205 49 K HA 0.416 4.841 4.320 0.003 -0.104 0.279 49 K C -0.533 176.069 176.600 0.003 0.000 1.027 49 K CA -0.020 56.268 56.287 0.003 0.000 0.932 49 K CB 0.978 33.480 32.500 0.003 0.000 1.032 49 K HN 0.262 8.515 8.250 0.004 0.000 0.466 50 T N -2.171 112.385 114.554 0.002 0.000 2.841 50 T HA 0.407 4.758 4.350 0.001 0.000 0.296 50 T C -2.058 172.642 174.700 0.000 0.000 1.166 50 T CA -2.612 59.489 62.100 0.001 0.000 1.007 50 T CB 2.447 71.314 68.868 -0.000 0.000 1.253 50 T HN 0.821 8.971 8.240 0.002 0.091 0.511 51 V N -3.795 116.118 119.914 -0.001 0.000 3.113 51 V HA 0.669 4.791 4.120 0.003 0.000 0.316 51 V C -1.325 174.768 176.094 -0.002 0.000 1.125 51 V CA -2.765 59.535 62.300 0.000 0.000 1.026 51 V CB 3.702 35.525 31.823 -0.001 0.000 1.080 51 V HN 0.232 8.420 8.190 -0.003 0.000 0.444 52 G N -1.199 107.603 108.800 0.004 0.000 2.427 52 G HA2 0.421 4.379 3.960 -0.004 0.000 0.306 52 G HA3 0.421 4.380 3.960 -0.003 0.000 0.306 52 G C -2.857 172.060 174.900 0.028 0.000 1.280 52 G CA 0.645 45.747 45.100 0.004 0.000 0.837 52 G HN 0.198 8.494 8.290 0.009 0.000 0.482 53 R N -2.965 117.565 120.500 0.051 0.000 2.888 53 R HA 0.706 5.217 4.340 0.083 -0.122 0.266 53 R C -1.512 174.898 176.300 0.183 0.000 1.020 53 R CA -1.753 54.415 56.100 0.114 0.000 0.963 53 R CB 4.835 35.234 30.300 0.165 0.000 1.197 53 R HN 0.566 8.747 8.270 0.024 0.104 0.481 54 V N 0.224 120.246 119.914 0.181 0.000 2.546 54 V HA 0.050 4.264 4.120 0.157 0.000 0.284 54 V C -1.656 174.608 176.094 0.284 0.000 1.050 54 V CA -0.106 62.299 62.300 0.175 0.000 0.981 54 V CB 1.257 33.122 31.823 0.070 0.000 0.990 54 V HN -0.226 8.040 8.190 0.126 0.000 0.474 55 Y N 7.184 127.483 120.300 -0.002 0.000 2.634 55 Y HA 0.255 4.803 4.550 -0.002 0.000 0.340 55 Y C -1.829 174.070 175.900 -0.001 0.000 1.058 55 Y CA -1.828 56.271 58.100 -0.002 0.000 1.081 55 Y CB 5.151 43.610 38.460 -0.002 0.000 1.295 55 Y HN 1.065 9.440 8.280 0.261 0.061 0.487 56 R N 0.439 120.982 120.500 0.071 0.000 2.254 56 R HA 0.376 4.837 4.340 0.035 -0.100 0.318 56 R C -0.914 175.434 176.300 0.080 0.000 1.031 56 R CA -1.145 54.983 56.100 0.046 0.000 0.905 56 R CB 0.661 30.957 30.300 -0.006 0.000 1.050 56 R HN 0.351 8.618 8.270 -0.005 0.000 0.456 57 A N 5.280 128.136 122.820 0.059 0.000 2.462 57 A HA 0.003 4.359 4.320 0.061 0.000 0.243 57 A C -0.110 177.498 177.584 0.039 0.000 1.076 57 A CA 0.072 52.140 52.037 0.051 0.000 0.773 57 A CB 0.625 19.646 19.000 0.035 0.000 1.010 57 A HN 0.709 8.798 8.150 0.047 0.089 0.493 58 R N 0.808 121.331 120.500 0.038 0.000 2.096 58 R HA -0.158 4.199 4.340 0.030 0.000 0.240 58 R C -1.283 175.029 176.300 0.020 0.000 1.139 58 R CA 3.361 59.478 56.100 0.028 0.000 0.952 58 R CB -1.414 28.902 30.300 0.025 0.000 0.854 58 R HN 0.284 8.578 8.270 0.041 0.000 0.436 59 P HA 0.223 4.650 4.420 0.011 0.000 0.273 59 P C -1.712 175.596 177.300 0.013 0.000 1.531 59 P CA -1.151 61.957 63.100 0.013 0.000 1.027 59 P CB -0.813 30.894 31.700 0.012 0.000 1.387 60 E N 1.794 122.001 120.200 0.011 0.000 2.352 60 E HA -0.193 4.164 4.350 0.013 0.000 0.197 60 E C -0.934 175.671 176.600 0.008 0.000 1.224 60 E CA 0.828 57.234 56.400 0.010 0.000 1.118 60 E CB -1.448 28.257 29.700 0.007 0.000 1.198 60 E HN 0.295 8.661 8.360 0.010 0.000 0.454 61 D N -1.485 118.920 120.400 0.009 0.000 2.116 61 D HA 0.166 4.809 4.640 0.006 0.000 0.347 61 D C 0.334 176.638 176.300 0.007 0.000 1.045 61 D CA 1.083 55.087 54.000 0.007 0.000 0.885 61 D CB 1.906 42.709 40.800 0.006 0.000 1.654 61 D HN -0.140 8.099 8.370 0.010 0.138 0.533 62 E N -0.705 119.500 120.200 0.008 0.000 2.250 62 E HA 0.006 4.359 4.350 0.006 0.000 0.192 62 E C 1.433 178.038 176.600 0.009 0.000 0.986 62 E CA 1.094 57.499 56.400 0.008 0.000 0.849 62 E CB 0.403 30.108 29.700 0.008 0.000 0.797 62 E HN -0.613 7.752 8.360 0.009 0.000 0.482 63 N N 1.435 120.142 118.700 0.011 0.000 2.652 63 N HA -0.018 4.729 4.740 0.012 0.000 0.259 63 N C -1.132 174.385 175.510 0.012 0.000 1.240 63 N CA 0.593 53.651 53.050 0.014 0.000 0.951 63 N CB -1.035 37.464 38.487 0.019 0.000 1.281 63 N HN -0.616 7.771 8.380 0.012 0.000 0.507 64 K N -2.677 117.729 120.400 0.010 0.000 2.387 64 K HA 0.255 4.982 4.320 0.009 -0.402 0.198 64 K C -0.099 176.506 176.600 0.008 0.000 1.022 64 K CA -0.013 56.279 56.287 0.008 0.000 1.128 64 K CB 0.151 32.655 32.500 0.007 0.000 0.853 64 K HN -0.465 7.677 8.250 0.009 0.113 0.523 65 G N -1.392 107.413 108.800 0.008 0.000 5.181 65 G HA2 0.121 4.085 3.960 0.007 0.000 0.208 65 G HA3 0.121 4.084 3.960 0.006 0.000 0.208 65 G C -2.471 172.433 174.900 0.007 0.000 0.786 65 G CA 0.256 45.361 45.100 0.007 0.000 0.803 65 G HN -0.473 7.740 8.290 0.009 0.082 0.404 66 I N -4.469 116.106 120.570 0.008 0.000 2.722 66 I HA 1.013 5.382 4.170 0.005 -0.196 0.295 66 I C -2.578 173.544 176.117 0.008 0.000 1.161 66 I CA -2.176 59.128 61.300 0.007 0.000 1.032 66 I CB 4.101 42.105 38.000 0.006 0.000 1.244 66 I HN -0.739 7.477 8.210 0.010 0.000 0.421 67 V N 3.619 123.536 119.914 0.006 0.000 2.409 67 V HA 0.375 4.502 4.120 0.011 0.000 0.291 67 V C -1.928 174.166 176.094 -0.001 0.000 1.020 67 V CA -3.208 59.096 62.300 0.006 0.000 0.848 67 V CB 3.261 35.087 31.823 0.005 0.000 0.990 67 V HN 0.653 8.846 8.190 0.004 0.000 0.430 68 R N 9.516 130.014 120.500 -0.003 0.000 2.216 68 R HA 0.221 4.644 4.340 -0.009 -0.089 0.332 68 R C -0.234 176.050 176.300 -0.026 0.000 1.056 68 R CA -0.294 55.800 56.100 -0.011 0.000 0.901 68 R CB -0.150 30.145 30.300 -0.007 0.000 1.039 68 R HN 0.009 8.281 8.270 0.004 0.000 0.456 69 I N -1.824 118.730 120.570 -0.027 0.000 3.206 69 I HA 0.509 4.645 4.170 -0.057 0.000 0.313 69 I C -1.877 174.218 176.117 -0.035 0.000 1.103 69 I CA -2.579 58.698 61.300 -0.039 0.000 0.985 69 I CB 3.144 41.126 38.000 -0.030 0.000 1.240 69 I HN -0.089 8.110 8.210 -0.019 0.000 0.464 70 D N -0.976 119.399 120.400 -0.041 0.000 2.383 70 D HA 0.234 5.123 4.640 -0.029 -0.266 0.248 70 D C 1.658 177.946 176.300 -0.020 0.000 1.170 70 D CA -0.885 53.097 54.000 -0.031 0.000 0.977 70 D CB 1.760 42.538 40.800 -0.037 0.000 1.120 70 D HN 0.033 8.374 8.370 -0.050 0.000 0.481 71 S N 1.618 117.310 115.700 -0.015 0.000 2.383 71 S HA -0.286 4.251 4.470 -0.008 -0.072 0.229 71 S C 1.523 176.119 174.600 -0.007 0.000 1.030 71 S CA 3.183 61.378 58.200 -0.009 0.000 1.002 71 S CB 0.095 63.291 63.200 -0.006 0.000 0.829 71 S HN 0.454 8.755 8.310 -0.015 0.000 0.467 72 V N 0.549 120.458 119.914 -0.007 0.000 2.343 72 V HA -0.395 3.727 4.120 0.003 0.000 0.247 72 V C 1.262 177.353 176.094 -0.004 0.000 1.051 72 V CA 4.442 66.742 62.300 -0.002 0.000 1.036 72 V CB -0.725 31.098 31.823 -0.000 0.000 0.654 72 V HN -0.076 8.101 8.190 -0.009 0.008 0.451 73 M N -1.016 118.576 119.600 -0.012 0.000 2.080 73 M HA -0.303 4.414 4.480 -0.011 -0.243 0.260 73 M C 2.380 178.675 176.300 -0.008 0.000 1.068 73 M CA 2.337 57.630 55.300 -0.013 0.000 1.109 73 M CB -1.267 31.319 32.600 -0.023 0.000 1.342 73 M HN -0.409 7.871 8.290 -0.017 0.000 0.405 74 R N -1.299 119.196 120.500 -0.009 0.000 2.096 74 R HA -0.413 3.924 4.340 -0.005 0.000 0.235 74 R C 2.235 178.533 176.300 -0.003 0.000 1.127 74 R CA 3.658 59.755 56.100 -0.006 0.000 0.968 74 R CB -0.200 30.097 30.300 -0.006 0.000 0.861 74 R HN -0.408 7.856 8.270 -0.011 0.000 0.440 75 N N -2.466 116.233 118.700 -0.001 0.000 2.381 75 N HA -0.173 4.567 4.740 0.001 0.000 0.182 75 N C 1.422 176.935 175.510 0.004 0.000 1.025 75 N CA 1.952 55.003 53.050 0.001 0.000 0.888 75 N CB -0.115 38.373 38.487 0.003 0.000 0.965 75 N HN 0.197 8.374 8.380 -0.003 0.201 0.438 76 N N -2.220 116.482 118.700 0.004 0.000 2.166 76 N HA -0.318 4.429 4.740 0.011 0.000 0.186 76 N C 0.687 176.200 175.510 0.005 0.000 1.019 76 N CA 2.640 55.694 53.050 0.007 0.000 0.856 76 N CB 0.347 38.837 38.487 0.004 0.000 0.993 76 N HN 0.218 8.359 8.380 0.001 0.240 0.426 77 C N -6.471 112.831 119.300 0.003 0.000 2.525 77 C HA 0.121 4.583 4.460 0.003 0.000 0.291 77 C C -0.366 174.625 174.990 0.002 0.000 1.351 77 C CA -0.476 58.544 59.018 0.002 0.000 1.771 77 C CB 3.144 30.885 27.740 0.001 0.000 2.177 77 C HN -0.726 7.497 8.230 0.001 0.008 0.510 78 G N 0.217 109.018 108.800 0.001 0.000 2.155 78 G HA2 -0.344 3.617 3.960 0.000 0.000 0.135 78 G HA3 -0.344 3.617 3.960 0.001 0.000 0.135 78 G C -1.467 173.433 174.900 -0.000 0.000 1.023 78 G CA -0.285 44.815 45.100 0.001 0.000 0.688 78 G HN -0.362 7.929 8.290 0.001 0.000 0.499 79 A N -1.743 121.077 122.820 -0.000 0.000 2.269 79 A HA 0.393 4.712 4.320 -0.000 0.000 0.327 79 A C -1.875 175.708 177.584 -0.001 0.000 1.112 79 A CA -1.246 50.791 52.037 -0.001 0.000 0.865 79 A CB 2.843 21.843 19.000 -0.001 0.000 1.227 79 A HN -0.687 7.463 8.150 -0.001 0.000 0.498 80 S N -2.582 113.117 115.700 -0.001 0.000 2.766 80 S HA 0.310 4.778 4.470 -0.002 0.000 0.307 80 S C -0.184 174.415 174.600 -0.002 0.000 1.121 80 S CA -2.194 56.006 58.200 -0.001 0.000 0.980 80 S CB 2.269 65.469 63.200 -0.001 0.000 1.159 80 S HN 0.861 9.812 8.310 -0.001 -0.641 0.546 81 I N 0.700 121.269 120.570 -0.002 0.000 2.752 81 I HA -0.477 3.692 4.170 -0.002 0.000 0.287 81 I C 0.802 176.918 176.117 -0.001 0.000 1.188 81 I CA 2.224 63.523 61.300 -0.002 0.000 1.427 81 I CB 0.018 38.017 38.000 -0.002 0.000 1.365 81 I HN 0.090 8.299 8.210 -0.002 0.000 0.585 82 G N 7.311 116.110 108.800 -0.001 0.000 2.184 82 G HA2 -0.380 3.643 3.960 0.000 0.000 0.264 82 G HA3 -0.380 3.580 3.960 0.000 0.000 0.264 82 G C -0.227 174.673 174.900 0.000 0.000 0.975 82 G CA 0.191 45.291 45.100 0.000 0.000 0.642 82 G HN 0.520 8.713 8.290 -0.001 0.097 0.536 83 D N 1.105 121.505 120.400 -0.000 0.000 2.174 83 D HA -0.085 4.555 4.640 0.000 0.000 0.245 83 D C -1.193 175.107 176.300 0.001 0.000 1.301 83 D CA 1.248 55.248 54.000 0.000 0.000 0.959 83 D CB 0.818 41.618 40.800 -0.000 0.000 1.231 83 D HN -0.616 7.663 8.370 -0.001 0.091 0.535 84 K N -3.381 117.019 120.400 0.001 0.000 2.535 84 K HA 0.731 5.287 4.320 0.002 -0.235 0.253 84 K C -0.849 175.752 176.600 0.002 0.000 0.953 84 K CA -1.408 54.880 56.287 0.001 0.000 0.863 84 K CB 1.920 34.421 32.500 0.002 0.000 1.111 84 K HN -0.043 8.207 8.250 0.001 0.000 0.431 85 V N -2.335 117.580 119.914 0.002 0.000 2.919 85 V HA 0.415 4.536 4.120 0.002 0.000 0.316 85 V C -2.536 173.560 176.094 0.003 0.000 1.077 85 V CA -3.234 59.068 62.300 0.002 0.000 0.977 85 V CB 3.822 35.646 31.823 0.001 0.000 1.039 85 V HN 0.758 8.949 8.190 0.002 0.000 0.441 86 K N 3.388 123.790 120.400 0.003 0.000 2.235 86 K HA 0.601 5.064 4.320 0.004 -0.140 0.266 86 K C -0.952 175.651 176.600 0.005 0.000 0.980 86 K CA -1.458 54.832 56.287 0.004 0.000 0.849 86 K CB 1.919 34.422 32.500 0.004 0.000 1.098 86 K HN -0.051 8.088 8.250 0.003 0.113 0.445 87 V N 7.498 127.416 119.914 0.006 0.000 2.370 87 V HA 0.557 4.882 4.120 0.007 -0.200 0.283 87 V C -0.933 175.166 176.094 0.008 0.000 1.023 87 V CA -0.852 61.453 62.300 0.008 0.000 0.857 87 V CB 1.266 33.095 31.823 0.010 0.000 0.985 87 V HN 1.012 9.108 8.190 0.006 0.098 0.443 88 R N 7.059 127.564 120.500 0.008 0.000 2.514 88 R HA 0.461 4.937 4.340 0.007 -0.131 0.301 88 R C -1.492 174.813 176.300 0.009 0.000 0.962 88 R CA -1.807 54.298 56.100 0.008 0.000 0.882 88 R CB 2.670 32.974 30.300 0.006 0.000 1.143 88 R HN 1.057 9.229 8.270 0.008 0.103 0.452 89 K N 4.747 125.153 120.400 0.009 0.000 2.249 89 K HA 0.028 4.356 4.320 0.014 0.000 0.280 89 K C -1.176 175.429 176.600 0.008 0.000 1.033 89 K CA 0.670 56.964 56.287 0.011 0.000 0.946 89 K CB 1.198 33.704 32.500 0.010 0.000 1.005 89 K HN -0.396 7.859 8.250 0.008 0.000 0.469 90 V N -0.371 119.549 119.914 0.009 0.000 3.076 90 V HA 0.414 4.537 4.120 0.006 0.000 0.311 90 V C -2.625 173.473 176.094 0.007 0.000 1.461 90 V CA -2.937 59.367 62.300 0.007 0.000 1.029 90 V CB 3.062 34.889 31.823 0.007 0.000 1.061 90 V HN 0.907 8.995 8.190 0.012 0.109 0.474 91 R N -2.112 118.391 120.500 0.006 0.000 2.912 91 R HA 0.610 4.954 4.340 0.007 0.000 0.262 91 R C -1.938 174.365 176.300 0.005 0.000 1.057 91 R CA -1.047 55.057 56.100 0.005 0.000 0.981 91 R CB 2.510 32.812 30.300 0.003 0.000 1.201 91 R HN -0.019 8.254 8.270 0.005 0.000 0.484 92 T N -2.477 112.079 114.554 0.005 0.000 2.927 92 T HA 0.442 5.026 4.350 0.003 -0.232 0.281 92 T C -1.005 173.696 174.700 0.001 0.000 0.998 92 T CA -1.535 60.567 62.100 0.003 0.000 1.019 92 T CB 1.677 70.548 68.868 0.004 0.000 1.061 92 T HN -0.035 8.208 8.240 0.005 0.000 0.518 93 E N -1.115 119.085 120.200 -0.000 0.000 2.445 93 E HA 0.229 4.579 4.350 -0.001 0.000 0.279 93 E C -1.753 174.846 176.600 -0.002 0.000 1.018 93 E CA -1.863 54.536 56.400 -0.001 0.000 0.816 93 E CB 2.561 32.261 29.700 -0.001 0.000 1.356 93 E HN 0.180 8.540 8.360 -0.001 0.000 0.462 94 I N 0.755 121.323 120.570 -0.003 0.000 2.294 94 I HA 0.246 4.649 4.170 -0.005 -0.236 0.295 94 I C 0.475 176.590 176.117 -0.004 0.000 1.098 94 I CA -2.523 58.775 61.300 -0.004 0.000 1.277 94 I CB -2.047 35.951 38.000 -0.003 0.000 1.434 94 I HN 0.367 8.576 8.210 -0.002 0.000 0.498 95 A N 7.721 130.537 122.820 -0.006 0.000 2.540 95 A HA -0.101 4.217 4.320 -0.004 0.000 0.239 95 A C -0.010 177.571 177.584 -0.005 0.000 1.061 95 A CA 0.715 52.749 52.037 -0.005 0.000 0.758 95 A CB 1.013 20.008 19.000 -0.008 0.000 0.991 95 A HN -0.355 7.791 8.150 -0.007 0.000 0.502 96 K N 0.436 120.835 120.400 -0.003 0.000 2.308 96 K HA -0.021 4.298 4.320 -0.002 0.000 0.197 96 K C -0.188 176.411 176.600 -0.001 0.000 1.049 96 K CA 1.599 57.885 56.287 -0.001 0.000 0.991 96 K CB 1.085 33.585 32.500 0.000 0.000 0.836 96 K HN 0.525 8.773 8.250 -0.002 0.000 0.500 97 K N -0.090 120.310 120.400 -0.000 0.000 2.588 97 K HA 0.495 4.936 4.320 0.001 -0.120 0.250 97 K C -2.903 173.697 176.600 0.001 0.000 0.972 97 K CA -0.539 55.749 56.287 0.001 0.000 0.821 97 K CB 3.413 35.916 32.500 0.004 0.000 1.249 97 K HN -0.716 7.534 8.250 -0.001 0.000 0.442 98 V N 6.302 126.216 119.914 -0.000 0.000 2.789 98 V HA 0.622 4.889 4.120 0.002 -0.146 0.311 98 V C -2.501 173.597 176.094 0.006 0.000 1.073 98 V CA -2.564 59.736 62.300 0.000 0.000 0.921 98 V CB 4.741 36.559 31.823 -0.009 0.000 1.009 98 V HN 1.007 9.088 8.190 -0.001 0.108 0.426 99 T N 8.914 123.476 114.554 0.013 0.000 2.856 99 T HA 0.594 5.194 4.350 0.025 -0.235 0.283 99 T C -1.149 173.572 174.700 0.035 0.000 1.008 99 T CA -0.808 61.306 62.100 0.023 0.000 0.997 99 T CB 1.508 70.388 68.868 0.021 0.000 0.992 99 T HN 0.882 9.012 8.240 0.011 0.116 0.454 100 L N -1.257 119.999 121.223 0.055 0.000 2.341 100 L HA 0.737 5.226 4.340 0.070 -0.107 0.254 100 L C -2.581 174.345 176.870 0.093 0.000 1.040 100 L CA -1.987 52.906 54.840 0.088 0.000 0.837 100 L CB 3.933 46.071 42.059 0.131 0.000 1.425 100 L HN 0.748 9.012 8.230 0.057 0.000 0.414 101 A N -2.758 120.116 122.820 0.090 0.000 2.651 101 A HA 0.591 4.930 4.320 0.032 0.000 0.290 101 A C -2.627 174.938 177.584 -0.032 0.000 1.185 101 A CA -2.328 49.728 52.037 0.032 0.000 0.746 101 A CB 1.156 20.165 19.000 0.015 0.000 1.213 101 A HN 0.297 8.386 8.150 0.105 0.124 0.429 102 P HA -0.076 4.145 4.420 -0.605 -0.164 0.267 102 P C -1.370 175.791 177.300 -0.232 0.000 1.209 102 P CA -0.108 62.763 63.100 -0.382 0.000 0.763 102 P CB -0.001 31.415 31.700 -0.472 0.000 0.816 103 I N 5.512 125.949 120.570 -0.222 0.000 2.291 103 I HA -0.064 4.048 4.170 -0.096 0.000 0.292 103 I C -1.422 174.621 176.117 -0.124 0.000 1.064 103 I CA 0.127 61.351 61.300 -0.128 0.000 1.269 103 I CB -0.826 37.119 38.000 -0.092 0.000 1.418 103 I HN 0.701 8.626 8.210 -0.278 0.118 0.485 104 I N -0.018 120.493 120.570 -0.098 0.000 3.464 104 I HA 0.848 4.976 4.170 -0.069 0.000 0.317 104 I C -1.690 174.396 176.117 -0.053 0.000 1.229 104 I CA -2.475 58.780 61.300 -0.076 0.000 0.926 104 I CB 3.885 41.834 38.000 -0.086 0.000 1.341 104 I HN -0.569 7.589 8.210 -0.086 0.000 0.479 105 R N -1.412 119.063 120.500 -0.042 0.000 3.208 105 R HA 0.376 4.696 4.340 -0.033 0.000 0.143 105 R C 0.653 176.935 176.300 -0.030 0.000 0.859 105 R CA -0.763 55.317 56.100 -0.033 0.000 0.568 105 R CB 2.366 32.649 30.300 -0.027 0.000 0.945 105 R HN 0.606 9.206 8.270 -0.042 -0.355 0.368 106 K N 0.019 120.404 120.400 -0.025 0.000 2.442 106 K HA -0.142 4.163 4.320 -0.026 0.000 0.199 106 K C -0.292 176.294 176.600 -0.023 0.000 1.044 106 K CA 1.937 58.210 56.287 -0.023 0.000 0.941 106 K CB -1.014 31.475 32.500 -0.019 0.000 0.759 106 K HN 0.255 8.491 8.250 -0.023 0.000 0.472 107 D N -3.694 116.692 120.400 -0.023 0.000 2.460 107 D HA 0.026 4.657 4.640 -0.015 0.000 0.229 107 D C -1.260 175.027 176.300 -0.021 0.000 1.170 107 D CA -0.869 53.120 54.000 -0.018 0.000 0.827 107 D CB -1.919 38.872 40.800 -0.016 0.000 0.973 107 D HN -0.186 8.092 8.370 -0.024 0.078 0.496 108 Q N -1.819 117.964 119.800 -0.028 0.000 2.344 108 Q HA -0.004 4.313 4.340 -0.038 0.000 0.253 108 Q C -0.416 175.576 176.000 -0.014 0.000 1.050 108 Q CA -0.011 55.774 55.803 -0.031 0.000 0.912 108 Q CB -0.128 28.585 28.738 -0.041 0.000 1.258 108 Q HN -0.400 7.758 8.270 -0.030 0.094 0.443 109 R N 5.322 125.831 120.500 0.016 0.000 2.373 109 R HA 0.045 4.404 4.340 0.032 0.000 0.221 109 R C 0.202 176.603 176.300 0.169 0.000 0.893 109 R CA 0.438 56.577 56.100 0.065 0.000 1.049 109 R CB 0.950 31.292 30.300 0.070 0.000 1.119 109 R HN 0.304 8.578 8.270 0.008 0.000 0.535 110 L N -3.723 117.580 121.223 0.134 0.000 2.990 110 L HA 0.306 4.865 4.340 0.364 0.000 0.231 110 L C -1.792 175.228 176.870 0.251 0.000 1.341 110 L CA -0.612 54.364 54.840 0.226 0.000 1.208 110 L CB -2.017 40.092 42.059 0.083 0.000 1.571 110 L HN -0.234 8.026 8.230 0.050 0.000 0.453 111 K N -0.105 120.479 120.400 0.306 0.000 2.501 111 K HA 0.190 4.678 4.320 0.280 0.000 0.252 111 K C -1.532 175.211 176.600 0.239 0.000 0.934 111 K CA -0.045 56.389 56.287 0.245 0.000 0.797 111 K CB 1.782 34.313 32.500 0.053 0.000 1.270 111 K HN -0.793 7.551 8.250 0.284 0.076 0.431 112 F N 0.654 120.667 119.950 0.104 0.000 2.533 112 F HA 0.109 4.673 4.527 0.062 0.000 0.313 112 F C -0.126 175.715 175.800 0.069 0.000 0.834 112 F CA 0.642 58.694 58.000 0.086 0.000 1.061 112 F CB 2.007 41.077 39.000 0.117 0.000 0.915 112 F HN 0.121 8.671 8.300 0.417 0.000 0.693 113 G N -1.061 107.903 108.800 0.273 0.000 2.782 113 G HA2 -0.312 3.735 3.960 0.146 0.000 0.228 113 G HA3 -0.312 3.717 3.960 0.115 0.000 0.228 113 G C -1.681 173.317 174.900 0.163 0.000 1.372 113 G CA -0.448 44.750 45.100 0.164 0.000 0.862 113 G HN -0.584 7.903 8.290 0.328 0.000 0.547 114 E N -0.674 119.591 120.200 0.109 0.000 2.912 114 E HA -0.395 3.996 4.350 0.069 0.000 0.194 114 E C 0.590 177.249 176.600 0.098 0.000 1.990 114 E CA 1.343 57.797 56.400 0.090 0.000 0.758 114 E CB -1.558 28.192 29.700 0.085 0.000 1.013 114 E HN 0.152 8.565 8.360 0.089 0.000 0.334 115 G N 0.963 109.813 108.800 0.084 0.000 2.199 115 G HA2 -0.502 3.496 3.960 0.062 0.000 0.254 115 G HA3 -0.502 3.493 3.960 0.057 0.000 0.254 115 G C 0.848 175.823 174.900 0.124 0.000 0.982 115 G CA -0.124 45.022 45.100 0.077 0.000 0.632 115 G HN 0.540 8.875 8.290 0.074 0.000 0.529 116 I N 0.693 121.363 120.570 0.166 0.000 2.286 116 I HA -0.388 3.997 4.170 0.359 0.000 0.248 116 I C 0.751 176.968 176.117 0.166 0.000 1.115 116 I CA 1.852 63.295 61.300 0.239 0.000 1.392 116 I CB 0.054 38.195 38.000 0.234 0.000 1.065 116 I HN 0.019 8.123 8.210 0.152 0.198 0.418 117 E N -1.364 118.902 120.200 0.110 0.000 2.085 117 E HA -0.508 3.874 4.350 0.054 0.000 0.194 117 E C 2.213 178.849 176.600 0.059 0.000 0.994 117 E CA 4.053 60.493 56.400 0.067 0.000 0.801 117 E CB -0.678 29.053 29.700 0.053 0.000 0.743 117 E HN 0.564 8.974 8.360 0.105 0.013 0.453 118 E N 0.300 120.546 120.200 0.077 0.000 2.106 118 E HA -0.266 4.111 4.350 0.045 0.000 0.192 118 E C 2.205 178.881 176.600 0.127 0.000 0.984 118 E CA 2.838 59.281 56.400 0.071 0.000 0.806 118 E CB -0.155 29.580 29.700 0.057 0.000 0.750 118 E HN -0.655 7.660 8.360 0.084 0.095 0.458 119 Y N 1.476 121.762 120.300 -0.023 0.000 2.181 119 Y HA -0.353 4.163 4.550 -0.056 0.000 0.288 119 Y C 1.847 177.717 175.900 -0.051 0.000 1.146 119 Y CA 1.819 59.893 58.100 -0.043 0.000 1.164 119 Y CB -0.385 38.048 38.460 -0.044 0.000 0.982 119 Y HN 0.165 8.399 8.280 0.239 0.189 0.515 120 V N -0.056 119.803 119.914 -0.091 0.000 2.307 120 V HA -0.594 3.261 4.120 -0.443 0.000 0.245 120 V C 1.889 177.894 176.094 -0.148 0.000 1.045 120 V CA 5.074 67.231 62.300 -0.239 0.000 1.024 120 V CB -0.188 31.547 31.823 -0.145 0.000 0.651 120 V HN 0.549 8.644 8.190 0.028 0.112 0.449 121 Q N -0.658 119.109 119.800 -0.056 0.000 2.084 121 Q HA -0.418 3.888 4.340 -0.057 0.000 0.202 121 Q C 2.350 178.333 176.000 -0.029 0.000 0.978 121 Q CA 3.610 59.389 55.803 -0.039 0.000 0.844 121 Q CB -0.099 28.635 28.738 -0.007 0.000 0.898 121 Q HN -0.041 8.154 8.270 -0.019 0.064 0.426 122 R N -1.080 119.427 120.500 0.011 0.000 2.073 122 R HA -0.333 4.015 4.340 0.014 0.000 0.234 122 R C 1.302 177.602 176.300 0.000 0.000 1.134 122 R CA 2.844 58.961 56.100 0.028 0.000 0.952 122 R CB -0.168 30.187 30.300 0.092 0.000 0.850 122 R HN 0.382 8.556 8.270 0.041 0.120 0.433 123 A N -1.935 120.868 122.820 -0.029 0.000 1.897 123 A HA -0.039 4.262 4.320 -0.032 0.000 0.215 123 A C 1.622 179.131 177.584 -0.126 0.000 1.181 123 A CA 2.211 54.195 52.037 -0.087 0.000 0.620 123 A CB 0.193 19.066 19.000 -0.211 0.000 0.821 123 A HN -0.349 7.786 8.150 -0.024 0.000 0.443 124 L N -4.077 117.053 121.223 -0.156 0.000 2.607 124 L HA 0.198 4.450 4.340 -0.146 0.000 0.228 124 L C -0.005 176.813 176.870 -0.087 0.000 1.123 124 L CA -0.469 54.283 54.840 -0.146 0.000 0.890 124 L CB -0.279 41.661 42.059 -0.198 0.000 1.103 124 L HN 0.018 8.036 8.230 -0.168 0.111 0.468 125 I N -0.740 119.792 120.570 -0.063 0.000 3.366 125 I HA -0.413 3.699 4.170 -0.037 0.035 0.283 125 I C -0.909 175.188 176.117 -0.033 0.000 1.290 125 I CA 2.095 63.372 61.300 -0.039 0.000 1.353 125 I CB 1.045 39.030 38.000 -0.024 0.000 1.343 125 I HN 0.116 8.057 8.210 -0.063 0.232 0.607 126 R N -1.634 118.852 120.500 -0.023 0.000 3.211 126 R HA -0.484 4.035 4.340 -0.014 -0.187 0.240 126 R C -1.704 174.583 176.300 -0.020 0.000 0.915 126 R CA 1.486 57.576 56.100 -0.017 0.000 0.621 126 R CB -2.354 27.939 30.300 -0.012 0.000 1.008 126 R HN 0.055 8.257 8.270 -0.020 0.056 0.471 127 R N -3.401 117.082 120.500 -0.028 0.000 2.807 127 R HA 0.513 4.840 4.340 -0.022 0.000 0.276 127 R C -2.234 174.050 176.300 -0.026 0.000 0.979 127 R CA -3.644 52.437 56.100 -0.031 0.000 0.928 127 R CB 2.641 32.911 30.300 -0.051 0.000 1.191 127 R HN -0.542 7.768 8.270 -0.031 -0.059 0.471 128 P HA 0.480 5.065 4.420 -0.010 -0.172 0.271 128 P C -1.226 176.062 177.300 -0.020 0.000 1.220 128 P CA -0.172 62.919 63.100 -0.014 0.000 0.768 128 P CB 0.539 32.235 31.700 -0.007 0.000 0.848 129 M N 3.701 123.291 119.600 -0.017 0.000 2.395 129 M HA 0.307 4.773 4.480 -0.023 0.000 0.307 129 M C -1.751 174.543 176.300 -0.010 0.000 1.091 129 M CA -1.728 53.561 55.300 -0.019 0.000 0.919 129 M CB 4.231 36.817 32.600 -0.023 0.000 1.662 129 M HN 0.843 9.085 8.290 -0.013 0.041 0.440 130 L N 3.116 124.335 121.223 -0.007 0.000 2.491 130 L HA 0.406 4.745 4.340 -0.001 0.000 0.267 130 L C -2.082 174.790 176.870 0.002 0.000 0.971 130 L CA -1.267 53.572 54.840 -0.001 0.000 0.857 130 L CB 3.577 45.636 42.059 -0.001 0.000 1.226 130 L HN 0.103 8.462 8.230 -0.008 -0.133 0.408 131 E N 6.708 126.910 120.200 0.004 0.000 2.508 131 E HA -0.351 4.005 4.350 0.009 0.000 0.266 131 E C -0.378 176.227 176.600 0.009 0.000 1.010 131 E CA 1.901 58.306 56.400 0.007 0.000 0.955 131 E CB -0.117 29.587 29.700 0.007 0.000 0.946 131 E HN 0.181 8.542 8.360 0.002 0.000 0.454 132 Q N -0.751 119.057 119.800 0.013 0.000 2.324 132 Q HA -0.446 3.986 4.340 0.015 -0.083 0.200 132 Q C -0.356 175.653 176.000 0.014 0.000 0.645 132 Q CA 2.359 58.170 55.803 0.013 0.000 1.377 132 Q CB -0.282 28.462 28.738 0.009 0.000 1.486 132 Q HN 0.433 8.644 8.270 0.016 0.068 0.796 133 D N -2.571 117.838 120.400 0.015 0.000 2.346 133 D HA -0.141 4.506 4.640 0.012 0.000 0.249 133 D C -0.531 175.785 176.300 0.027 0.000 1.308 133 D CA -0.224 53.786 54.000 0.015 0.000 0.987 133 D CB 1.052 41.857 40.800 0.009 0.000 1.114 133 D HN -0.076 8.209 8.370 0.014 0.093 0.529 134 N N -4.041 114.677 118.700 0.030 0.000 2.396 134 N HA 0.758 5.726 4.740 0.070 -0.186 0.275 134 N C -1.131 174.414 175.510 0.057 0.000 1.218 134 N CA -0.611 52.469 53.050 0.050 0.000 0.812 134 N CB 4.416 42.924 38.487 0.035 0.000 1.592 134 N HN -0.112 8.280 8.380 0.020 0.000 0.480 135 I N -4.140 116.493 120.570 0.106 0.000 3.239 135 I HA 0.415 4.614 4.170 0.049 0.000 0.314 135 I C -1.527 174.680 176.117 0.149 0.000 1.126 135 I CA -1.950 59.409 61.300 0.099 0.000 0.973 135 I CB 3.317 41.358 38.000 0.067 0.000 1.252 135 I HN 0.293 8.593 8.210 0.151 0.000 0.463 136 S N 0.561 116.331 115.700 0.117 0.000 2.661 136 S HA 0.263 4.809 4.470 0.126 0.000 0.285 136 S C -1.344 173.328 174.600 0.121 0.000 1.138 136 S CA -1.109 57.159 58.200 0.113 0.000 0.855 136 S CB 1.366 64.599 63.200 0.055 0.000 1.136 136 S HN 0.179 8.531 8.310 0.071 0.000 0.484 137 V N 2.856 122.835 119.914 0.109 0.000 2.667 137 V HA 0.376 4.557 4.120 0.101 0.000 0.308 137 V C -1.124 175.004 176.094 0.058 0.000 1.048 137 V CA -3.539 58.821 62.300 0.101 0.000 0.928 137 V CB -0.021 31.877 31.823 0.124 0.000 1.004 137 V HN 0.328 8.570 8.190 0.087 0.000 0.444 138 P HA -0.102 4.333 4.420 0.025 0.000 0.273 138 P C 0.154 177.473 177.300 0.032 0.000 1.248 138 P CA -0.364 62.755 63.100 0.033 0.000 0.817 138 P CB 0.559 32.278 31.700 0.031 0.000 0.995 139 G N -1.857 106.957 108.800 0.024 0.000 2.819 139 G HA2 -0.039 3.933 3.960 0.020 0.000 0.272 139 G HA3 -0.039 3.931 3.960 0.017 0.000 0.272 139 G C -0.941 173.974 174.900 0.025 0.000 0.701 139 G CA 0.089 45.201 45.100 0.021 0.000 2.095 139 G HN 0.073 8.375 8.290 0.020 0.000 0.577 140 L N 1.221 122.463 121.223 0.031 0.000 2.371 140 L HA 0.630 4.988 4.340 0.031 0.000 0.262 140 L C -1.746 175.143 176.870 0.033 0.000 1.006 140 L CA -0.844 54.017 54.840 0.035 0.000 0.818 140 L CB 1.664 43.752 42.059 0.048 0.000 1.354 140 L HN -0.018 8.184 8.230 0.033 0.048 0.415 141 T N 0.230 114.803 114.554 0.031 0.000 2.669 141 T HA 0.112 4.610 4.350 0.026 -0.133 0.283 141 T C -2.412 172.303 174.700 0.024 0.000 1.967 141 T CA -0.412 61.703 62.100 0.025 0.000 0.941 141 T CB 0.690 69.568 68.868 0.016 0.000 2.124 141 T HN -0.228 8.032 8.240 0.033 0.000 0.439 142 L N -0.946 120.287 121.223 0.017 0.000 3.229 142 L HA 0.387 4.738 4.340 0.018 0.000 0.223 142 L C -0.770 176.106 176.870 0.009 0.000 1.885 142 L CA -0.459 54.390 54.840 0.015 0.000 2.144 142 L CB -0.536 41.533 42.059 0.017 0.000 2.065 142 L HN -0.063 8.278 8.230 0.013 -0.103 0.591 143 A N -0.065 122.759 122.820 0.006 0.000 2.199 143 A HA -0.025 4.297 4.320 0.003 0.000 0.300 143 A C 0.461 178.046 177.584 0.001 0.000 1.308 143 A CA 0.107 52.145 52.037 0.002 0.000 0.886 143 A CB -0.030 18.970 19.000 -0.000 0.000 1.139 143 A HN 0.084 8.238 8.150 0.006 0.000 0.513 144 G N -1.927 106.873 108.800 -0.001 0.000 2.821 144 G HA2 0.020 3.979 3.960 -0.001 0.000 0.289 144 G HA3 0.020 3.978 3.960 -0.003 0.000 0.289 144 G C -1.259 173.638 174.900 -0.005 0.000 0.771 144 G CA -0.165 44.933 45.100 -0.003 0.000 1.908 144 G HN 0.209 8.498 8.290 -0.002 0.000 0.539 145 Q N 4.838 124.635 119.800 -0.006 0.000 2.199 145 Q HA 0.555 5.004 4.340 -0.012 -0.117 0.232 145 Q C -0.974 175.018 176.000 -0.013 0.000 0.969 145 Q CA -1.137 54.660 55.803 -0.011 0.000 0.925 145 Q CB 2.406 31.137 28.738 -0.010 0.000 1.198 145 Q HN -0.432 7.808 8.270 -0.003 0.028 0.494 146 T N 0.031 114.574 114.554 -0.019 0.000 2.900 146 T HA 0.285 4.626 4.350 -0.015 0.000 0.303 146 T C -0.109 174.574 174.700 -0.029 0.000 1.142 146 T CA -1.409 60.679 62.100 -0.019 0.000 1.007 146 T CB 2.116 70.974 68.868 -0.016 0.000 1.156 146 T HN 0.258 8.739 8.240 -0.022 -0.253 0.490 147 G N 6.007 114.790 108.800 -0.028 0.000 4.163 147 G HA2 -0.363 3.578 3.960 -0.031 0.000 0.300 147 G HA3 -0.363 3.569 3.960 -0.046 0.000 0.300 147 G C -0.573 174.294 174.900 -0.055 0.000 1.488 147 G CA 0.824 45.901 45.100 -0.039 0.000 1.052 147 G HN 0.153 8.431 8.290 -0.021 0.000 0.687 148 L N -1.196 119.978 121.223 -0.081 0.000 3.833 148 L HA -0.400 3.878 4.340 -0.153 -0.029 0.447 148 L C -2.206 174.582 176.870 -0.138 0.000 1.213 148 L CA 0.698 55.471 54.840 -0.113 0.000 0.801 148 L CB -2.586 39.438 42.059 -0.058 0.000 1.676 148 L HN -0.076 8.107 8.230 -0.078 0.000 0.883 149 L N -9.646 111.472 121.223 -0.175 0.000 2.359 149 L HA 0.725 5.034 4.340 -0.053 0.000 0.256 149 L C -1.663 175.064 176.870 -0.239 0.000 1.026 149 L CA -2.121 52.647 54.840 -0.121 0.000 0.828 149 L CB 3.434 45.485 42.059 -0.013 0.000 1.406 149 L HN -0.891 7.234 8.230 -0.177 -0.001 0.413 150 F N -0.887 119.049 119.950 -0.024 0.000 2.394 150 F HA 0.292 4.804 4.527 -0.025 0.000 0.340 150 F C -0.760 175.028 175.800 -0.021 0.000 1.105 150 F CA 0.141 58.125 58.000 -0.027 0.000 1.124 150 F CB 1.753 40.729 39.000 -0.040 0.000 1.145 150 F HN -0.175 8.349 8.300 0.373 0.000 0.505 151 K N 4.584 125.058 120.400 0.124 0.000 2.521 151 K HA 0.360 4.722 4.320 0.070 0.000 0.248 151 K C -0.937 175.707 176.600 0.073 0.000 0.978 151 K CA -1.944 54.387 56.287 0.072 0.000 0.947 151 K CB 1.130 33.645 32.500 0.025 0.000 1.165 151 K HN 0.008 8.198 8.250 0.102 0.121 0.445 152 V N 7.898 127.852 119.914 0.067 0.000 2.614 152 V HA -0.142 4.141 4.120 0.056 -0.130 0.291 152 V C -1.373 174.739 176.094 0.030 0.000 1.049 152 V CA 0.933 63.262 62.300 0.047 0.000 1.038 152 V CB 0.130 31.972 31.823 0.032 0.000 0.980 152 V HN 0.038 8.268 8.190 0.067 0.000 0.481 153 V N 5.424 125.353 119.914 0.025 0.000 3.480 153 V HA 0.094 4.224 4.120 0.016 0.000 0.263 153 V C -1.169 174.934 176.094 0.014 0.000 1.442 153 V CA 0.113 62.423 62.300 0.018 0.000 1.053 153 V CB 1.768 33.601 31.823 0.017 0.000 0.846 153 V HN 0.086 8.293 8.190 0.028 0.000 0.440 154 K N 0.823 121.232 120.400 0.014 0.000 2.507 154 K HA 0.343 4.668 4.320 0.009 0.000 0.251 154 K C -2.441 174.164 176.600 0.008 0.000 0.943 154 K CA -1.606 54.687 56.287 0.010 0.000 0.794 154 K CB 2.430 34.937 32.500 0.011 0.000 1.188 154 K HN -0.844 7.417 8.250 0.017 0.000 0.428 155 T N 1.988 116.545 114.554 0.006 0.000 2.901 155 T HA 0.502 4.976 4.350 0.003 -0.122 0.293 155 T C -0.869 173.833 174.700 0.003 0.000 1.084 155 T CA -2.101 60.001 62.100 0.003 0.000 1.008 155 T CB 3.453 72.322 68.868 0.001 0.000 1.170 155 T HN 0.149 8.392 8.240 0.006 0.000 0.509 156 L N 0.003 121.227 121.223 0.002 0.000 2.202 156 L HA 0.298 4.640 4.340 0.003 0.000 0.205 156 L C -1.200 175.671 176.870 0.001 0.000 1.083 156 L CA 0.231 55.072 54.840 0.002 0.000 0.790 156 L CB -1.936 40.124 42.059 0.001 0.000 0.942 156 L HN 0.070 8.301 8.230 0.000 0.000 0.452 157 P HA -0.036 4.385 4.420 0.000 0.000 0.278 157 P C 0.192 177.493 177.300 0.001 0.000 1.268 157 P CA 0.006 63.107 63.100 0.000 0.000 0.813 157 P CB 0.451 32.151 31.700 -0.001 0.000 1.180 158 S N 0.999 116.700 115.700 0.001 0.000 2.815 158 S HA -0.123 4.348 4.470 0.002 0.000 0.254 158 S C -0.346 174.256 174.600 0.002 0.000 1.197 158 S CA -1.090 57.111 58.200 0.002 0.000 1.216 158 S CB -1.492 61.709 63.200 0.002 0.000 0.871 158 S HN 0.331 8.642 8.310 0.001 0.000 0.473 159 K N -4.310 116.091 120.400 0.002 0.000 3.274 159 K HA -0.376 4.109 4.320 0.002 -0.164 0.300 159 K C -1.550 175.052 176.600 0.002 0.000 1.230 159 K CA 0.912 57.200 56.287 0.002 0.000 0.884 159 K CB -2.402 30.099 32.500 0.003 0.000 1.242 159 K HN -0.354 7.785 8.250 0.002 0.113 0.467 160 V N -8.419 111.496 119.914 0.002 0.000 2.834 160 V HA 0.631 4.752 4.120 0.002 0.000 0.313 160 V C -1.884 174.211 176.094 0.001 0.000 1.060 160 V CA -4.002 58.299 62.300 0.002 0.000 0.989 160 V CB 0.326 32.151 31.823 0.002 0.000 1.041 160 V HN -0.624 7.516 8.190 0.001 0.050 0.459 161 P HA -0.106 4.314 4.420 -0.001 0.000 0.258 161 P C -1.295 176.005 177.300 -0.000 0.000 1.187 161 P CA 0.265 63.365 63.100 0.001 0.000 0.767 161 P CB -0.664 31.039 31.700 0.004 0.000 0.770 162 V N -1.174 118.739 119.914 -0.003 0.000 3.001 162 V HA 0.410 4.664 4.120 -0.002 -0.136 0.314 162 V C -2.066 174.024 176.094 -0.007 0.000 1.099 162 V CA -3.458 58.839 62.300 -0.004 0.000 0.989 162 V CB 3.484 35.304 31.823 -0.005 0.000 1.040 162 V HN -0.297 7.955 8.190 -0.005 -0.065 0.434 163 E N 2.248 122.444 120.200 -0.007 0.000 2.156 163 E HA 0.493 4.950 4.350 -0.013 -0.114 0.279 163 E C -0.715 175.877 176.600 -0.013 0.000 0.965 163 E CA -2.462 53.932 56.400 -0.010 0.000 0.789 163 E CB 2.595 32.292 29.700 -0.006 0.000 1.098 163 E HN 0.876 9.109 8.360 -0.005 0.124 0.397 164 I N 5.527 126.084 120.570 -0.020 0.000 2.779 164 I HA -0.172 3.987 4.170 -0.019 0.000 0.285 164 I C -0.556 175.550 176.117 -0.018 0.000 1.134 164 I CA -0.140 61.147 61.300 -0.022 0.000 1.398 164 I CB -0.040 37.938 38.000 -0.036 0.000 1.404 164 I HN 0.786 8.913 8.210 -0.024 0.069 0.587 165 G N 0.016 108.807 108.800 -0.015 0.000 2.694 165 G HA2 0.384 4.337 3.960 -0.012 0.000 0.290 165 G HA3 0.384 4.339 3.960 -0.008 0.000 0.290 165 G C -0.036 174.858 174.900 -0.009 0.000 1.386 165 G CA -0.624 44.470 45.100 -0.011 0.000 0.872 165 G HN 0.098 8.379 8.290 -0.014 0.000 0.475 166 E N -0.718 119.478 120.200 -0.006 0.000 2.267 166 E HA -0.356 3.992 4.350 -0.004 0.000 0.197 166 E C -0.135 176.464 176.600 -0.002 0.000 0.998 166 E CA 2.522 58.920 56.400 -0.003 0.000 0.830 166 E CB -0.062 29.637 29.700 -0.002 0.000 0.751 166 E HN 0.384 8.740 8.360 -0.006 0.000 0.491 167 E N -3.943 116.255 120.200 -0.002 0.000 2.400 167 E HA -0.034 4.317 4.350 0.001 0.000 0.195 167 E C 0.113 176.712 176.600 -0.001 0.000 1.012 167 E CA -0.238 56.161 56.400 -0.001 0.000 0.875 167 E CB -0.121 29.579 29.700 -0.001 0.000 0.859 167 E HN -0.284 8.025 8.360 -0.003 0.049 0.498 168 T N 3.282 117.834 114.554 -0.004 0.000 2.937 168 T HA -0.335 4.166 4.350 -0.003 -0.153 0.316 168 T C -0.384 174.315 174.700 -0.002 0.000 1.079 168 T CA 2.432 64.529 62.100 -0.005 0.000 1.131 168 T CB 0.591 69.453 68.868 -0.010 0.000 1.000 168 T HN -0.542 7.531 8.240 -0.005 0.164 0.549 169 K N 4.048 124.448 120.400 -0.001 0.000 2.110 169 K HA 0.186 4.509 4.320 0.005 0.000 0.263 169 K C -1.206 175.396 176.600 0.002 0.000 0.975 169 K CA -0.613 55.676 56.287 0.003 0.000 0.895 169 K CB 1.951 34.455 32.500 0.005 0.000 1.060 169 K HN 0.826 8.902 8.250 -0.001 0.174 0.448 170 I N 0.760 121.334 120.570 0.006 0.000 3.042 170 I HA 0.843 5.235 4.170 0.002 -0.221 0.310 170 I C -0.696 175.432 176.117 0.018 0.000 1.117 170 I CA -2.259 59.044 61.300 0.006 0.000 1.003 170 I CB 4.771 42.770 38.000 -0.001 0.000 1.228 170 I HN 0.250 8.467 8.210 0.011 0.000 0.443 171 E N 1.853 122.066 120.200 0.023 0.000 2.275 171 E HA 0.362 4.732 4.350 0.033 0.000 0.270 171 E C -2.045 174.582 176.600 0.045 0.000 0.882 171 E CA -1.706 54.714 56.400 0.032 0.000 0.758 171 E CB 4.500 34.216 29.700 0.026 0.000 1.195 171 E HN 0.073 8.444 8.360 0.019 0.000 0.419 172 I N 2.606 123.208 120.570 0.054 0.000 2.410 172 I HA 0.421 4.776 4.170 0.079 -0.138 0.286 172 I C 0.049 176.198 176.117 0.053 0.000 1.009 172 I CA -2.575 58.766 61.300 0.069 0.000 1.111 172 I CB 0.366 38.421 38.000 0.091 0.000 1.262 172 I HN 0.363 8.604 8.210 0.051 0.000 0.443 173 R N 7.637 128.163 120.500 0.043 0.000 2.549 173 R HA 0.349 4.705 4.340 0.028 0.000 0.267 173 R C -0.030 176.282 176.300 0.021 0.000 1.045 173 R CA -1.106 55.011 56.100 0.028 0.000 1.115 173 R CB 1.089 31.402 30.300 0.021 0.000 1.121 173 R HN -0.343 7.955 8.270 0.048 0.000 0.543 174 E N -0.623 119.585 120.200 0.013 0.000 2.465 174 E HA 0.063 4.417 4.350 0.006 0.000 0.195 174 E C -0.797 175.800 176.600 -0.005 0.000 1.028 174 E CA 0.125 56.529 56.400 0.005 0.000 0.899 174 E CB -0.115 29.588 29.700 0.006 0.000 1.032 174 E HN 0.162 8.530 8.360 0.013 0.000 0.468 175 E N 0.902 121.099 120.200 -0.005 0.000 2.044 175 E HA 0.176 4.520 4.350 -0.011 0.000 0.282 175 E C -1.704 174.885 176.600 -0.019 0.000 1.031 175 E CA -2.444 53.950 56.400 -0.010 0.000 0.824 175 E CB 0.639 30.336 29.700 -0.005 0.000 1.076 175 E HN -0.279 8.003 8.360 0.001 0.078 0.395 176 P HA 0.132 4.679 4.420 -0.049 -0.156 0.323 176 P C -0.370 176.911 177.300 -0.032 0.000 1.319 176 P CA -0.509 62.568 63.100 -0.037 0.000 0.741 176 P CB 0.916 32.594 31.700 -0.037 0.000 1.545 177 A N -0.704 122.095 122.820 -0.036 0.000 3.033 177 A HA 0.098 4.402 4.320 -0.026 0.000 0.250 177 A C -0.833 176.738 177.584 -0.021 0.000 1.633 177 A CA -0.639 51.380 52.037 -0.028 0.000 1.290 177 A CB -1.595 17.386 19.000 -0.032 0.000 1.048 177 A HN -0.032 8.093 8.150 -0.041 0.000 0.648 178 S N 1.047 116.737 115.700 -0.018 0.000 2.499 178 S HA -0.019 4.443 4.470 -0.014 0.000 0.275 178 S C 0.436 175.029 174.600 -0.011 0.000 1.257 178 S CA 0.528 58.720 58.200 -0.014 0.000 1.050 178 S CB 0.245 63.437 63.200 -0.012 0.000 0.937 178 S HN -0.118 8.088 8.310 -0.018 0.093 0.490 179 E N 3.151 123.345 120.200 -0.010 0.000 3.170 179 E HA -0.388 3.958 4.350 -0.007 0.000 0.284 179 E C -1.923 174.673 176.600 -0.008 0.000 0.967 179 E CA 1.014 57.410 56.400 -0.008 0.000 0.919 179 E CB -0.257 29.439 29.700 -0.006 0.000 1.469 179 E HN 0.522 8.876 8.360 -0.010 0.000 0.444 180 V N -0.220 119.688 119.914 -0.010 0.000 2.409 180 V HA 0.108 4.223 4.120 -0.007 0.000 0.291 180 V C -0.926 175.162 176.094 -0.010 0.000 1.020 180 V CA -0.394 61.900 62.300 -0.009 0.000 0.848 180 V CB 1.292 33.108 31.823 -0.011 0.000 0.990 180 V HN -0.763 7.358 8.190 -0.011 0.062 0.430 181 L N 3.705 124.924 121.223 -0.008 0.000 2.470 181 L HA 0.352 4.686 4.340 -0.010 0.000 0.256 181 L C -0.526 176.340 176.870 -0.006 0.000 1.357 181 L CA -0.970 53.865 54.840 -0.008 0.000 0.902 181 L CB -0.054 42.000 42.059 -0.007 0.000 1.121 181 L HN 0.078 8.304 8.230 -0.006 0.000 0.507 182 E N 1.665 121.861 120.200 -0.006 0.000 2.413 182 E HA -0.112 4.236 4.350 -0.003 0.000 0.263 182 E C -0.322 176.276 176.600 -0.004 0.000 1.015 182 E CA 0.200 56.597 56.400 -0.004 0.000 0.916 182 E CB 0.436 30.134 29.700 -0.003 0.000 0.947 182 E HN -0.233 8.122 8.360 -0.008 0.000 0.440 183 E N 3.956 124.154 120.200 -0.002 0.000 2.442 183 E HA -0.171 4.177 4.350 -0.003 0.000 0.262 183 E C -0.580 176.019 176.600 -0.002 0.000 1.004 183 E CA 0.662 57.061 56.400 -0.002 0.000 0.928 183 E CB 0.438 30.137 29.700 -0.002 0.000 0.937 183 E HN 0.194 8.553 8.360 -0.002 0.000 0.446 184 G N 0.292 109.091 108.800 -0.003 0.000 2.906 184 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.235 184 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.235 184 G C -1.530 173.368 174.900 -0.003 0.000 3.666 184 G CA -0.448 44.650 45.100 -0.003 0.000 0.647 184 G HN 0.226 8.515 8.290 -0.003 0.000 0.417 185 G N 0.000 108.798 108.800 -0.003 0.000 5.446 185 G HA2 0.000 nan 3.960 nan 0.000 0.244 185 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 185 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 185 G HN 0.000 8.288 8.290 -0.003 0.000 0.925