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 2jyw_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPPTFTFNFN NEPWVRGRHE TYLCYEVERM HNDTWVKLNQ RRGFLANQAP DATA SEQUENCE HKHGFLEGRH AELCFLDVIP FWKLDLDQDY RVTCFTSWSP CFSCAQEMAK DATA SEQUENCE FISKNKHVSL CIKTARIYDD QGRAQEGLRT LAEAGAKISI MTYSEFKHCW DATA SEQUENCE DTFVDHQGAP FQPWDGLDEH SQDLSGRLRA ILQNQEN 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 D HA 0.000 4.600 4.640 -0.067 0.000 0.175 1 D C 0.000 176.248 176.300 -0.087 0.000 2.045 1 D CA 0.000 53.957 54.000 -0.072 0.000 0.868 1 D CB 0.000 40.748 40.800 -0.086 0.000 0.688 2 P HA 0.350 4.721 4.420 -0.082 0.000 0.276 2 P C -2.156 175.046 177.300 -0.164 0.000 1.243 2 P CA -1.213 61.823 63.100 -0.107 0.000 0.768 2 P CB -0.063 31.579 31.700 -0.097 0.000 0.856 3 P HA 0.015 4.268 4.420 -0.278 0.000 0.256 3 P C -1.313 175.868 177.300 -0.197 0.000 1.688 3 P CA -0.347 62.645 63.100 -0.180 0.000 1.162 3 P CB -0.500 31.160 31.700 -0.066 0.000 1.870 4 T N 4.625 118.969 114.554 -0.350 0.000 2.892 4 T HA 0.153 4.428 4.350 -0.125 0.000 0.311 4 T C -1.228 173.225 174.700 -0.411 0.000 1.033 4 T CA 0.120 62.064 62.100 -0.260 0.000 0.991 4 T CB 1.183 69.942 68.868 -0.181 0.000 0.981 4 T HN -0.281 7.647 8.240 -0.484 0.021 0.457 5 F N 5.187 125.062 119.950 -0.125 0.000 2.538 5 F HA 0.251 4.589 4.527 -0.313 0.000 0.325 5 F C -0.214 175.327 175.800 -0.431 0.000 1.066 5 F CA -1.026 56.770 58.000 -0.340 0.000 0.946 5 F CB 2.091 40.794 39.000 -0.495 0.000 1.199 5 F HN 0.071 8.402 8.300 0.052 0.000 0.473 6 T N 2.947 117.321 114.554 -0.299 0.000 2.772 6 T HA 0.109 4.395 4.350 -0.107 0.000 0.288 6 T C -0.657 173.764 174.700 -0.464 0.000 0.994 6 T CA -0.821 61.128 62.100 -0.252 0.000 0.951 6 T CB 0.312 69.129 68.868 -0.085 0.000 0.933 6 T HN 0.137 8.255 8.240 -0.204 0.000 0.447 7 F N 7.119 127.031 119.950 -0.063 0.000 2.347 7 F HA 0.141 4.673 4.527 0.008 0.000 0.366 7 F C -0.917 174.875 175.800 -0.013 0.000 1.107 7 F CA -0.539 57.412 58.000 -0.082 0.000 1.058 7 F CB 0.682 39.490 39.000 -0.321 0.000 1.236 7 F HN 0.215 8.595 8.300 0.133 0.000 0.456 8 N N 1.550 120.364 118.700 0.190 0.000 2.282 8 N HA -0.018 4.709 4.740 -0.023 0.000 0.185 8 N C -1.084 174.149 175.510 -0.461 0.000 1.099 8 N CA 0.044 53.109 53.050 0.026 0.000 0.878 8 N CB 1.319 39.957 38.487 0.251 0.000 0.993 8 N HN 0.300 8.851 8.380 0.286 0.000 0.481 9 F N -3.944 115.737 119.950 -0.449 0.000 2.749 9 F HA -0.083 3.209 4.527 -2.059 0.000 0.300 9 F C -0.611 174.516 175.800 -1.121 0.000 1.103 9 F CA 0.123 57.567 58.000 -0.927 0.000 1.342 9 F CB 0.930 39.791 39.000 -0.233 0.000 1.098 9 F HN -0.211 8.269 8.300 0.375 0.045 0.586 10 N N -1.039 117.388 118.700 -0.455 0.000 2.267 10 N HA -0.241 3.667 4.740 -1.387 0.000 0.266 10 N C 0.227 174.551 175.510 -1.976 0.000 1.295 10 N CA -0.244 52.188 53.050 -1.031 0.000 0.914 10 N CB 0.636 38.949 38.487 -0.290 0.000 1.083 10 N HN -0.749 7.569 8.380 -0.020 0.050 0.507 11 N N -1.778 115.705 118.700 -2.029 0.000 2.184 11 N HA -0.318 3.703 4.740 -1.198 0.000 0.190 11 N C -0.575 174.579 175.510 -0.593 0.000 1.011 11 N CA 2.120 54.426 53.050 -1.240 0.000 0.867 11 N CB -0.193 37.866 38.487 -0.713 0.000 0.993 11 N HN 0.136 7.371 8.380 -1.907 0.000 0.433 12 E N -0.591 119.284 120.200 -0.542 0.000 2.558 12 E HA -0.075 4.192 4.350 -0.139 0.000 0.255 12 E C -2.258 174.300 176.600 -0.070 0.000 0.968 12 E CA -1.020 55.229 56.400 -0.251 0.000 0.939 12 E CB 0.139 29.719 29.700 -0.199 0.000 0.921 12 E HN -0.116 7.987 8.360 -0.619 -0.115 0.477 13 P HA -0.164 4.532 4.420 0.461 0.000 0.263 13 P C -1.658 175.952 177.300 0.517 0.000 1.168 13 P CA 0.802 64.112 63.100 0.349 0.000 0.759 13 P CB 0.384 32.179 31.700 0.159 0.000 0.782 14 W N -1.274 120.004 121.300 -0.037 0.000 0.617 14 W HA 0.137 4.825 4.660 0.046 0.000 0.320 14 W C -2.678 173.864 176.519 0.038 0.000 0.869 14 W CA -0.413 56.935 57.345 0.006 0.000 1.107 14 W CB -0.485 28.965 29.460 -0.017 0.000 1.097 14 W HN -0.447 7.995 8.180 0.435 0.000 0.514 15 V N -3.006 116.840 119.914 -0.113 0.000 6.387 15 V HA -0.098 4.015 4.120 -0.012 0.000 0.080 15 V C -1.222 174.856 176.094 -0.028 0.000 0.968 15 V CA -0.256 61.998 62.300 -0.077 0.000 0.764 15 V CB 0.280 32.029 31.823 -0.123 0.000 1.166 15 V HN -0.364 7.832 8.190 0.010 0.000 0.709 16 R N 1.322 121.748 120.500 -0.124 0.000 3.610 16 R HA -0.302 3.853 4.340 -0.309 0.000 0.274 16 R C 0.107 176.147 176.300 -0.432 0.000 1.123 16 R CA 0.916 56.860 56.100 -0.259 0.000 0.747 16 R CB -1.635 28.574 30.300 -0.151 0.000 1.149 16 R HN 0.312 8.517 8.270 -0.108 0.000 0.471 17 G N -4.200 104.265 108.800 -0.557 0.000 2.595 17 G HA2 -0.533 2.939 3.960 -0.812 0.000 0.297 17 G HA3 -0.533 2.933 3.960 -0.823 0.000 0.297 17 G C -0.496 174.059 174.900 -0.574 0.000 1.181 17 G CA 0.245 44.933 45.100 -0.687 0.000 0.963 17 G HN 0.083 8.071 8.290 -0.460 0.026 0.541 18 R N 1.994 121.846 120.500 -1.081 0.000 3.271 18 R HA -0.206 3.372 4.340 -1.270 0.000 0.245 18 R C -0.158 175.975 176.300 -0.278 0.000 1.112 18 R CA 0.405 55.874 56.100 -1.050 0.000 1.102 18 R CB 0.546 30.305 30.300 -0.903 0.000 0.928 18 R HN -0.178 7.469 8.270 -1.039 0.000 0.497 19 H N -3.865 115.077 119.070 -0.213 0.000 1.461 19 H HA -0.271 4.309 4.556 -0.073 -0.068 0.092 19 H C -0.724 174.567 175.328 -0.061 0.000 1.699 19 H CA 0.084 56.069 56.048 -0.105 0.000 1.897 19 H CB 0.340 30.043 29.762 -0.099 0.000 2.252 19 H HN 0.224 8.601 8.280 -0.013 -0.105 0.960 20 E N -0.280 119.956 120.200 0.060 0.000 1.943 20 E HA -0.250 4.112 4.350 0.021 0.000 0.254 20 E C -0.628 176.019 176.600 0.078 0.000 1.239 20 E CA 0.833 57.255 56.400 0.036 0.000 1.027 20 E CB -0.934 28.771 29.700 0.008 0.000 1.087 20 E HN 0.103 8.458 8.360 -0.008 0.000 0.437 21 T N 2.803 117.404 114.554 0.078 0.000 2.758 21 T HA 0.100 4.498 4.350 0.080 0.000 0.285 21 T C -0.694 174.074 174.700 0.113 0.000 0.981 21 T CA -2.197 59.958 62.100 0.092 0.000 0.965 21 T CB 1.036 69.975 68.868 0.119 0.000 0.927 21 T HN -0.004 8.264 8.240 0.071 0.015 0.448 22 Y N 10.755 131.052 120.300 -0.004 0.000 2.697 22 Y HA -0.097 4.575 4.550 0.202 0.000 0.349 22 Y C -2.103 173.803 175.900 0.010 0.000 1.120 22 Y CA 1.118 59.264 58.100 0.078 0.000 1.468 22 Y CB -0.385 38.177 38.460 0.171 0.000 1.182 22 Y HN -0.098 8.156 8.280 0.137 0.108 0.525 23 L N 2.883 124.309 121.223 0.337 0.000 2.415 23 L HA 0.651 5.108 4.340 0.195 0.000 0.256 23 L C -2.010 175.137 176.870 0.462 0.000 1.010 23 L CA -1.294 53.703 54.840 0.263 0.000 0.826 23 L CB 4.369 46.456 42.059 0.048 0.000 1.405 23 L HN -0.510 7.886 8.230 0.277 0.000 0.410 24 C N 0.203 119.768 119.300 0.442 0.000 2.888 24 C HA 0.462 5.443 4.460 0.768 -0.060 0.308 24 C C -2.399 173.035 174.990 0.741 0.000 1.213 24 C CA -1.880 57.520 59.018 0.637 0.000 1.461 24 C CB 3.844 31.866 27.740 0.470 0.000 1.934 24 C HN 0.302 8.713 8.230 0.301 0.000 0.474 25 Y N -0.553 120.095 120.300 0.580 0.000 2.689 25 Y HA 0.635 5.304 4.550 0.048 -0.090 0.333 25 Y C -2.867 173.302 175.900 0.449 0.000 1.190 25 Y CA -2.249 56.053 58.100 0.336 0.000 1.063 25 Y CB 3.283 41.839 38.460 0.159 0.000 1.294 25 Y HN 0.292 9.041 8.280 0.979 0.118 0.466 26 E N -1.041 118.890 120.200 -0.448 0.000 2.313 26 E HA 0.336 4.295 4.350 -0.652 0.000 0.280 26 E C -2.807 173.528 176.600 -0.441 0.000 0.898 26 E CA -0.251 55.874 56.400 -0.458 0.000 0.803 26 E CB 4.491 34.221 29.700 0.050 0.000 1.286 26 E HN 0.831 8.885 8.360 -0.345 0.098 0.401 27 V N 4.765 124.432 119.914 -0.411 0.000 2.735 27 V HA 0.804 5.099 4.120 -0.050 -0.205 0.310 27 V C -1.558 174.511 176.094 -0.042 0.000 1.061 27 V CA -2.495 59.778 62.300 -0.047 0.000 0.913 27 V CB 3.668 35.724 31.823 0.388 0.000 1.005 27 V HN 0.333 8.199 8.190 -0.541 0.000 0.428 28 E N 6.028 126.177 120.200 -0.085 0.000 2.256 28 E HA 0.385 4.635 4.350 -0.167 0.000 0.267 28 E C -1.702 174.684 176.600 -0.357 0.000 0.892 28 E CA -1.983 54.319 56.400 -0.162 0.000 0.775 28 E CB 4.681 34.344 29.700 -0.062 0.000 1.207 28 E HN 0.936 9.145 8.360 -0.043 0.125 0.420 29 R N 1.978 122.204 120.500 -0.456 0.000 2.204 29 R HA 0.257 4.090 4.340 -0.844 0.000 0.341 29 R C -0.587 175.600 176.300 -0.188 0.000 1.035 29 R CA -0.889 54.864 56.100 -0.579 0.000 0.887 29 R CB 0.240 30.133 30.300 -0.679 0.000 1.114 29 R HN 0.289 8.360 8.270 -0.333 0.000 0.473 30 M N 6.699 126.255 119.600 -0.073 0.000 2.146 30 M HA 0.038 4.655 4.480 0.115 -0.068 0.352 30 M C -1.177 175.186 176.300 0.105 0.000 1.343 30 M CA 0.681 56.024 55.300 0.072 0.000 1.115 30 M CB 0.605 33.278 32.600 0.121 0.000 1.657 30 M HN -0.153 8.078 8.290 -0.098 0.000 0.471 31 H N 4.823 123.884 119.070 -0.015 0.000 2.980 31 H HA 0.063 4.622 4.556 0.004 0.000 0.367 31 H C -0.775 174.522 175.328 -0.053 0.000 1.206 31 H CA -0.654 55.381 56.048 -0.021 0.000 1.126 31 H CB 4.254 34.000 29.762 -0.027 0.000 1.838 31 H HN -0.078 8.278 8.280 0.126 0.000 0.552 32 N N 4.531 123.191 118.700 -0.067 0.000 2.740 32 N HA -0.340 4.303 4.740 -0.162 0.000 0.248 32 N C -1.136 174.314 175.510 -0.100 0.000 1.062 32 N CA 1.163 54.115 53.050 -0.164 0.000 0.704 32 N CB -1.418 36.920 38.487 -0.247 0.000 0.968 32 N HN 0.644 9.045 8.380 0.035 0.000 0.547 33 D N -7.135 113.247 120.400 -0.031 0.000 2.978 33 D HA -0.379 4.269 4.640 0.013 0.000 0.205 33 D C -0.763 175.468 176.300 -0.115 0.000 1.093 33 D CA 2.052 56.029 54.000 -0.039 0.000 1.006 33 D CB -0.036 40.730 40.800 -0.057 0.000 1.116 33 D HN 0.195 8.573 8.370 0.031 0.010 0.419 34 T N -2.196 112.251 114.554 -0.178 0.000 2.762 34 T HA 0.366 4.322 4.350 -0.656 0.000 0.272 34 T C -2.141 172.459 174.700 -0.167 0.000 0.982 34 T CA -1.940 59.890 62.100 -0.451 0.000 1.013 34 T CB 1.658 70.157 68.868 -0.614 0.000 1.309 34 T HN -0.285 7.668 8.240 -0.113 0.219 0.572 35 W N -0.240 121.059 121.300 -0.002 0.000 2.587 35 W HA 0.226 4.874 4.660 -0.019 0.000 0.324 35 W C -1.838 174.667 176.519 -0.022 0.000 1.040 35 W CA -1.605 55.730 57.345 -0.016 0.000 1.222 35 W CB 1.442 30.890 29.460 -0.021 0.000 1.381 35 W HN -0.185 7.191 8.180 -1.340 0.000 0.483 36 V N -4.824 115.176 119.914 0.143 0.000 3.188 36 V HA 0.470 4.649 4.120 0.098 0.000 0.305 36 V C -2.270 173.826 176.094 0.004 0.000 1.232 36 V CA -2.440 59.898 62.300 0.063 0.000 1.043 36 V CB 4.226 36.058 31.823 0.015 0.000 1.068 36 V HN 0.043 8.308 8.190 0.125 0.000 0.439 37 K N 0.555 120.953 120.400 -0.004 0.000 2.498 37 K HA 0.319 4.573 4.320 -0.110 0.000 0.254 37 K C -2.223 174.367 176.600 -0.016 0.000 0.933 37 K CA -1.695 54.568 56.287 -0.039 0.000 0.806 37 K CB 1.717 34.212 32.500 -0.008 0.000 1.301 37 K HN 0.141 8.402 8.250 0.019 0.000 0.432 38 L N 2.713 123.921 121.223 -0.024 0.000 3.083 38 L HA 0.272 4.631 4.340 0.030 0.000 0.286 38 L C -1.604 175.318 176.870 0.087 0.000 1.307 38 L CA 0.014 54.868 54.840 0.023 0.000 0.897 38 L CB 0.167 42.228 42.059 0.004 0.000 1.306 38 L HN 0.168 8.358 8.230 -0.067 0.000 0.569 39 N N -1.297 117.461 118.700 0.097 0.000 2.823 39 N HA 0.036 4.871 4.740 0.159 0.000 0.251 39 N C -1.892 173.683 175.510 0.108 0.000 1.392 39 N CA -0.492 52.647 53.050 0.148 0.000 0.864 39 N CB 1.020 39.652 38.487 0.242 0.000 1.481 39 N HN -0.357 8.062 8.380 0.065 0.000 0.508 40 Q N 0.722 120.587 119.800 0.109 0.000 2.674 40 Q HA 0.233 4.613 4.340 0.068 0.000 0.249 40 Q C -1.362 174.685 176.000 0.079 0.000 1.011 40 Q CA 0.074 55.924 55.803 0.078 0.000 0.734 40 Q CB 0.176 28.951 28.738 0.061 0.000 1.201 40 Q HN 0.263 8.611 8.270 0.129 0.000 0.498 41 R N 3.333 123.884 120.500 0.085 0.000 2.561 41 R HA 0.175 4.555 4.340 0.066 0.000 0.266 41 R C -1.788 174.567 176.300 0.092 0.000 1.091 41 R CA 0.059 56.214 56.100 0.091 0.000 0.927 41 R CB 1.989 32.370 30.300 0.135 0.000 1.240 41 R HN 0.136 8.455 8.270 0.082 0.000 0.449 42 R N 3.461 124.020 120.500 0.098 0.000 2.439 42 R HA 0.192 4.599 4.340 0.112 0.000 0.310 42 R C -0.398 176.035 176.300 0.221 0.000 0.955 42 R CA -0.655 55.518 56.100 0.123 0.000 0.853 42 R CB 1.015 31.363 30.300 0.079 0.000 1.171 42 R HN 0.373 8.692 8.270 0.080 0.000 0.449 43 G N 4.694 113.686 108.800 0.321 0.000 2.553 43 G HA2 -0.331 4.071 3.960 0.580 0.000 0.242 43 G HA3 -0.331 3.963 3.960 0.557 0.000 0.242 43 G C -2.014 173.279 174.900 0.655 0.000 1.277 43 G CA -0.302 45.105 45.100 0.511 0.000 0.910 43 G HN 0.007 8.462 8.290 0.274 0.000 0.576 44 F N -1.529 118.683 119.950 0.436 0.000 2.779 44 F HA 0.255 4.952 4.527 0.285 0.000 0.316 44 F C -1.718 174.206 175.800 0.207 0.000 1.164 44 F CA -1.612 56.578 58.000 0.317 0.000 0.924 44 F CB 2.803 41.983 39.000 0.299 0.000 1.348 44 F HN -0.717 7.976 8.300 0.655 0.000 0.467 45 L N -0.425 120.782 121.223 -0.027 0.000 2.454 45 L HA 0.289 4.580 4.340 -0.083 0.000 0.256 45 L C -0.900 176.015 176.870 0.076 0.000 1.136 45 L CA -0.970 53.843 54.840 -0.045 0.000 0.804 45 L CB 1.012 42.940 42.059 -0.218 0.000 1.181 45 L HN -0.041 7.698 8.230 -0.818 0.000 0.469 46 A N 0.209 122.911 122.820 -0.196 0.000 3.091 46 A HA 0.140 4.605 4.320 -0.079 -0.193 0.264 46 A C -1.160 176.408 177.584 -0.027 0.000 1.673 46 A CA -0.329 51.587 52.037 -0.202 0.000 1.362 46 A CB -1.833 16.851 19.000 -0.527 0.000 1.137 46 A HN 0.353 8.335 8.150 -0.281 0.000 0.617 47 N N -1.071 117.673 118.700 0.074 0.000 3.405 47 N HA 0.028 4.864 4.740 0.050 -0.066 0.292 47 N C -2.309 173.278 175.510 0.128 0.000 1.456 47 N CA 0.004 53.093 53.050 0.065 0.000 0.861 47 N CB 2.391 40.877 38.487 -0.002 0.000 1.643 47 N HN -0.506 7.916 8.380 0.164 0.057 0.474 48 Q N -1.738 118.108 119.800 0.077 0.000 2.241 48 Q HA 0.217 4.751 4.340 0.117 -0.124 0.262 48 Q C -0.477 175.551 176.000 0.046 0.000 1.014 48 Q CA -0.984 54.872 55.803 0.089 0.000 0.885 48 Q CB 1.648 30.446 28.738 0.099 0.000 1.311 48 Q HN 0.145 8.431 8.270 0.027 0.000 0.461 49 A N -0.913 121.944 122.820 0.061 0.000 1.745 49 A HA -0.254 4.114 4.320 0.080 0.000 0.374 49 A C -1.595 176.044 177.584 0.091 0.000 0.861 49 A CA 0.160 52.227 52.037 0.050 0.000 0.509 49 A CB -1.194 17.752 19.000 -0.090 0.000 2.176 49 A HN 0.546 8.730 8.150 0.057 0.000 0.304 50 P HA -0.152 4.295 4.420 0.045 0.000 0.215 50 P C -0.220 176.969 177.300 -0.185 0.000 1.157 50 P CA 1.186 64.342 63.100 0.093 0.000 0.859 50 P CB 0.971 32.822 31.700 0.253 0.000 0.786 51 H N -2.767 116.297 119.070 -0.011 0.000 2.810 51 H HA 0.328 4.866 4.556 -0.030 0.000 0.316 51 H C -0.829 174.521 175.328 0.035 0.000 1.426 51 H CA -1.309 54.736 56.048 -0.006 0.000 1.413 51 H CB 1.515 31.276 29.762 -0.002 0.000 1.874 51 H HN -0.418 8.035 8.280 0.288 0.000 0.737 52 K N -0.525 120.006 120.400 0.218 0.000 2.106 52 K HA 0.069 4.482 4.320 0.155 0.000 0.246 52 K C -1.291 175.523 176.600 0.356 0.000 0.987 52 K CA -0.007 56.406 56.287 0.211 0.000 0.904 52 K CB 0.838 33.419 32.500 0.134 0.000 1.071 52 K HN 0.151 8.551 8.250 0.250 0.000 0.453 53 H N -2.052 117.235 119.070 0.360 0.000 3.643 53 H HA -0.288 4.343 4.556 0.126 0.000 0.298 53 H C -0.671 174.741 175.328 0.140 0.000 0.802 53 H CA 0.472 56.634 56.048 0.190 0.000 0.890 53 H CB 0.008 29.827 29.762 0.095 0.000 1.436 53 H HN 0.456 8.998 8.280 0.436 0.000 0.324 54 G N 2.280 111.130 108.800 0.083 0.000 2.698 54 G HA2 -0.242 3.664 3.960 -0.089 0.000 0.360 54 G HA3 -0.242 3.778 3.960 0.100 0.000 0.360 54 G C -2.638 172.352 174.900 0.151 0.000 1.005 54 G CA -0.408 44.710 45.100 0.030 0.000 1.293 54 G HN 0.129 8.273 8.290 -0.244 0.000 0.590 55 F N -0.607 119.358 119.950 0.026 0.000 2.683 55 F HA 0.326 4.855 4.527 0.003 0.000 0.333 55 F C -2.513 173.293 175.800 0.011 0.000 1.160 55 F CA -0.931 57.077 58.000 0.013 0.000 1.099 55 F CB 0.896 39.907 39.000 0.018 0.000 1.344 55 F HN -0.601 7.355 8.300 -0.573 0.000 0.534 56 L N 2.028 123.320 121.223 0.117 0.000 2.920 56 L HA 0.208 4.586 4.340 0.062 0.000 0.168 56 L C 0.946 177.876 176.870 0.099 0.000 1.141 56 L CA 0.139 55.019 54.840 0.066 0.000 0.859 56 L CB 0.078 42.136 42.059 -0.002 0.000 1.398 56 L HN -0.144 8.157 8.230 0.118 0.000 0.517 57 E N -0.530 119.708 120.200 0.062 0.000 2.170 57 E HA -0.033 4.356 4.350 0.065 0.000 0.191 57 E C -0.107 176.550 176.600 0.094 0.000 0.981 57 E CA 0.020 56.453 56.400 0.055 0.000 0.830 57 E CB 0.438 30.138 29.700 -0.000 0.000 0.775 57 E HN 0.147 8.529 8.360 0.038 0.000 0.470 58 G N -2.429 106.419 108.800 0.080 0.000 2.705 58 G HA2 -0.302 3.720 3.960 0.103 0.000 0.686 58 G HA3 -0.302 3.763 3.960 0.175 0.000 0.686 58 G C -1.681 173.187 174.900 -0.054 0.000 1.285 58 G CA -0.581 44.576 45.100 0.095 0.000 0.800 58 G HN -0.632 7.699 8.290 0.070 0.000 0.611 59 R N -0.712 119.757 120.500 -0.052 0.000 2.393 59 R HA 0.198 4.279 4.340 -0.431 0.000 0.315 59 R C -1.051 175.204 176.300 -0.075 0.000 0.952 59 R CA -0.904 55.059 56.100 -0.228 0.000 0.842 59 R CB 1.327 31.480 30.300 -0.246 0.000 1.163 59 R HN 0.228 8.513 8.270 0.025 0.000 0.450 60 H N 5.434 124.441 119.070 -0.105 0.000 2.638 60 H HA 0.177 4.732 4.556 -0.002 0.000 0.242 60 H C -0.451 174.911 175.328 0.058 0.000 1.610 60 H CA -1.107 54.944 56.048 0.004 0.000 1.275 60 H CB -2.039 27.744 29.762 0.036 0.000 1.583 60 H HN 0.710 8.573 8.280 -0.695 0.000 0.556 61 A N 4.740 127.515 122.820 -0.075 0.000 1.282 61 A HA -0.610 3.498 4.320 -0.352 0.000 0.226 61 A C 1.394 178.921 177.584 -0.095 0.000 0.465 61 A CA 3.024 54.976 52.037 -0.142 0.000 1.095 61 A CB -1.996 16.956 19.000 -0.080 0.000 1.470 61 A HN 0.209 8.239 8.150 -0.200 0.000 0.723 62 E N -1.312 118.894 120.200 0.009 0.000 2.013 62 E HA -0.348 4.131 4.350 0.215 0.000 0.202 62 E C 1.811 177.972 176.600 -0.732 0.000 1.018 62 E CA 2.525 58.856 56.400 -0.114 0.000 0.834 62 E CB -0.482 29.221 29.700 0.005 0.000 0.770 62 E HN 0.380 8.792 8.360 0.185 0.058 0.459 63 L N -2.405 118.477 121.223 -0.569 0.000 2.551 63 L HA -0.064 3.784 4.340 -0.821 0.000 0.228 63 L C 1.974 178.446 176.870 -0.662 0.000 1.153 63 L CA 1.319 55.756 54.840 -0.671 0.000 0.851 63 L CB -2.062 39.691 42.059 -0.510 0.000 0.959 63 L HN 0.246 8.231 8.230 -0.407 0.000 0.451 64 C N 1.513 120.447 119.300 -0.610 0.000 2.548 64 C HA -0.338 3.857 4.460 -0.442 0.000 0.284 64 C C 1.508 176.152 174.990 -0.577 0.000 1.252 64 C CA 2.734 61.412 59.018 -0.567 0.000 1.725 64 C CB -0.788 26.525 27.740 -0.710 0.000 2.098 64 C HN -0.566 7.141 8.230 -0.551 0.193 0.471 65 F N 0.347 119.998 119.950 -0.499 0.000 2.171 65 F HA -0.289 3.973 4.527 -0.440 0.000 0.300 65 F C 1.598 177.272 175.800 -0.209 0.000 1.090 65 F CA 2.443 60.251 58.000 -0.320 0.000 1.293 65 F CB -1.673 37.332 39.000 0.009 0.000 1.013 65 F HN -0.469 7.541 8.300 -0.483 0.000 0.486 66 L N -2.023 118.452 121.223 -1.248 0.000 2.189 66 L HA -0.417 3.575 4.340 -0.581 0.000 0.214 66 L C 0.785 177.288 176.870 -0.610 0.000 1.097 66 L CA 3.038 57.340 54.840 -0.897 0.000 0.764 66 L CB -0.351 41.060 42.059 -1.079 0.000 0.900 66 L HN -0.525 6.425 8.230 -2.119 0.008 0.436 67 D N -2.479 117.616 120.400 -0.507 0.000 2.183 67 D HA -0.038 4.380 4.640 -0.369 0.000 0.205 67 D C 1.925 178.052 176.300 -0.288 0.000 0.962 67 D CA 3.274 57.059 54.000 -0.360 0.000 0.849 67 D CB 0.463 41.097 40.800 -0.276 0.000 0.978 67 D HN -0.470 7.397 8.370 -0.545 0.176 0.488 68 V N 0.940 120.727 119.914 -0.212 0.000 2.720 68 V HA -0.414 3.761 4.120 0.091 0.000 0.256 68 V C 1.129 176.752 176.094 -0.784 0.000 1.082 68 V CA 2.898 65.182 62.300 -0.027 0.000 1.101 68 V CB -0.233 31.831 31.823 0.401 0.000 0.693 68 V HN -0.645 7.302 8.190 -0.211 0.116 0.479 69 I N -0.708 119.192 120.570 -1.116 0.000 2.090 69 I HA -0.175 1.165 4.170 -4.716 0.000 0.236 69 I C -0.816 174.486 176.117 -1.357 0.000 1.064 69 I CA 3.552 63.574 61.300 -2.131 0.000 1.324 69 I CB -3.923 33.234 38.000 -1.405 0.000 1.044 69 I HN -0.423 7.256 8.210 -0.648 0.142 0.399 70 P HA -0.150 4.120 4.420 -0.250 0.000 0.223 70 P C 0.704 177.853 177.300 -0.251 0.000 1.144 70 P CA 2.102 65.004 63.100 -0.329 0.000 0.783 70 P CB -0.576 31.010 31.700 -0.189 0.000 0.771 71 F N -1.387 118.274 119.950 -0.480 0.000 2.186 71 F HA -0.160 4.264 4.527 -0.172 0.000 0.299 71 F C -0.104 175.633 175.800 -0.105 0.000 1.090 71 F CA 2.050 59.886 58.000 -0.273 0.000 1.307 71 F CB 0.293 39.154 39.000 -0.231 0.000 1.019 71 F HN -0.498 7.451 8.300 -0.423 0.097 0.489 72 W N -5.074 115.936 121.300 -0.483 0.000 2.576 72 W HA -0.121 4.042 4.660 -0.828 0.000 0.270 72 W C -0.026 176.341 176.519 -0.254 0.000 1.255 72 W CA 0.003 57.031 57.345 -0.529 0.000 1.314 72 W CB -0.114 29.150 29.460 -0.327 0.000 1.101 72 W HN -0.655 6.719 8.180 -1.161 0.109 0.595 73 K N -5.736 114.637 120.400 -0.046 0.000 3.096 73 K HA -0.478 3.829 4.320 -0.022 0.000 0.266 73 K C -0.292 176.349 176.600 0.067 0.000 1.043 73 K CA 0.294 56.579 56.287 -0.003 0.000 0.758 73 K CB -2.998 29.492 32.500 -0.017 0.000 1.260 73 K HN -0.435 7.562 8.250 -0.202 0.132 0.481 74 L N -5.983 115.334 121.223 0.157 0.000 2.477 74 L HA -0.211 4.130 4.340 0.002 0.000 0.289 74 L C 1.099 178.020 176.870 0.085 0.000 1.279 74 L CA 0.640 55.543 54.840 0.104 0.000 0.825 74 L CB -0.046 42.129 42.059 0.193 0.000 1.085 74 L HN -0.554 7.826 8.230 0.251 0.000 0.548 75 D N -0.508 119.919 120.400 0.045 0.000 2.083 75 D HA -0.231 4.455 4.640 0.076 0.000 0.199 75 D C 0.326 176.695 176.300 0.115 0.000 0.980 75 D CA 3.163 57.214 54.000 0.083 0.000 0.851 75 D CB 0.425 41.288 40.800 0.105 0.000 0.997 75 D HN 0.292 8.637 8.370 -0.040 0.000 0.449 76 L N -5.984 115.318 121.223 0.132 0.000 1.573 76 L HA -0.019 4.445 4.340 0.207 0.000 0.168 76 L C -1.072 175.898 176.870 0.166 0.000 1.289 76 L CA 1.487 56.422 54.840 0.158 0.000 1.288 76 L CB 0.292 42.419 42.059 0.113 0.000 2.596 76 L HN -0.344 7.959 8.230 0.122 0.000 0.490 77 D N -1.240 119.241 120.400 0.135 0.000 2.350 77 D HA -0.054 4.656 4.640 0.116 0.000 0.216 77 D C -0.024 176.357 176.300 0.134 0.000 0.968 77 D CA 1.038 55.115 54.000 0.127 0.000 0.894 77 D CB 0.161 41.029 40.800 0.113 0.000 0.909 77 D HN 0.043 8.490 8.370 0.128 0.000 0.520 78 Q N -3.062 116.814 119.800 0.127 0.000 2.584 78 Q HA -0.149 4.321 4.340 0.130 -0.051 0.218 78 Q C -0.888 175.111 176.000 -0.002 0.000 1.079 78 Q CA 0.500 56.356 55.803 0.089 0.000 1.008 78 Q CB 1.026 29.783 28.738 0.031 0.000 1.267 78 Q HN -0.569 7.713 8.270 0.128 0.065 0.586 79 D N -1.065 119.330 120.400 -0.009 0.000 2.671 79 D HA 0.259 4.721 4.640 -0.500 -0.122 0.232 79 D C -1.682 174.655 176.300 0.062 0.000 1.114 79 D CA -1.733 52.180 54.000 -0.145 0.000 0.858 79 D CB 3.261 44.049 40.800 -0.020 0.000 1.544 79 D HN -0.258 8.145 8.370 0.055 0.000 0.471 80 Y N 0.803 121.114 120.300 0.018 0.000 2.477 80 Y HA 0.105 4.824 4.550 0.281 0.000 0.349 80 Y C -0.752 175.207 175.900 0.098 0.000 0.977 80 Y CA -2.087 56.121 58.100 0.179 0.000 1.214 80 Y CB -0.679 37.929 38.460 0.248 0.000 1.124 80 Y HN -0.149 7.842 8.280 -0.482 0.000 0.521 81 R N 5.141 125.756 120.500 0.191 0.000 2.565 81 R HA 0.304 4.805 4.340 0.050 -0.131 0.286 81 R C -1.607 174.715 176.300 0.037 0.000 1.256 81 R CA -1.062 55.077 56.100 0.065 0.000 1.238 81 R CB 0.008 30.312 30.300 0.007 0.000 1.153 81 R HN -0.019 8.339 8.270 0.147 0.000 0.553 82 V N 5.757 125.670 119.914 -0.002 0.000 2.513 82 V HA 0.577 4.770 4.120 -0.076 -0.118 0.299 82 V C -1.422 174.477 176.094 -0.324 0.000 1.035 82 V CA -1.754 60.450 62.300 -0.160 0.000 0.889 82 V CB 2.034 33.648 31.823 -0.349 0.000 0.988 82 V HN 0.039 8.241 8.190 0.021 0.000 0.440 83 T N 7.394 121.727 114.554 -0.368 0.000 2.881 83 T HA 0.350 4.519 4.350 -0.456 -0.092 0.290 83 T C -2.507 171.773 174.700 -0.699 0.000 1.000 83 T CA 0.027 61.835 62.100 -0.487 0.000 0.978 83 T CB 2.194 70.836 68.868 -0.376 0.000 0.997 83 T HN 0.957 8.905 8.240 -0.307 0.108 0.443 84 C N 6.148 124.975 119.300 -0.788 0.000 2.614 84 C HA 0.497 4.723 4.460 -0.542 -0.091 0.320 84 C C -2.538 171.895 174.990 -0.929 0.000 1.200 84 C CA -2.700 55.902 59.018 -0.693 0.000 1.700 84 C CB 3.031 30.586 27.740 -0.310 0.000 2.275 84 C HN 0.397 8.122 8.230 -0.654 0.113 0.492 85 F N 4.429 124.331 119.950 -0.081 0.000 2.691 85 F HA 0.492 5.106 4.527 -0.158 -0.181 0.371 85 F C -1.145 174.567 175.800 -0.146 0.000 1.159 85 F CA -1.485 56.434 58.000 -0.135 0.000 1.174 85 F CB 1.342 40.232 39.000 -0.182 0.000 1.419 85 F HN 1.072 9.213 8.300 -0.108 0.094 0.514 86 T N 2.011 116.454 114.554 -0.184 0.000 2.938 86 T HA 0.391 4.541 4.350 -0.334 0.000 0.285 86 T C 0.315 174.737 174.700 -0.464 0.000 1.028 86 T CA -1.417 60.386 62.100 -0.495 0.000 1.005 86 T CB 2.979 71.152 68.868 -1.158 0.000 1.157 86 T HN -0.523 7.584 8.240 -0.221 0.000 0.550 87 S N 0.742 115.983 115.700 -0.765 0.000 2.605 87 S HA 0.199 4.532 4.470 -0.229 0.000 0.217 87 S C -1.432 172.947 174.600 -0.367 0.000 0.958 87 S CA 2.106 59.960 58.200 -0.576 0.000 0.919 87 S CB 0.383 62.895 63.200 -1.147 0.000 0.780 87 S HN 0.631 8.302 8.310 -1.066 0.000 0.507 88 W N -5.943 115.260 121.300 -0.162 0.000 3.296 88 W HA 0.441 5.168 4.660 -0.092 -0.122 0.314 88 W C -1.959 174.517 176.519 -0.072 0.000 1.238 88 W CA -1.857 55.417 57.345 -0.119 0.000 1.193 88 W CB 1.899 31.265 29.460 -0.156 0.000 1.383 88 W HN -0.846 6.598 8.180 -1.081 0.087 0.545 89 S N 1.778 117.661 115.700 0.306 0.000 2.380 89 S HA -0.171 4.363 4.470 0.107 0.000 0.213 89 S C -1.245 173.586 174.600 0.384 0.000 1.037 89 S CA 2.305 60.637 58.200 0.219 0.000 1.034 89 S CB -0.374 62.896 63.200 0.117 0.000 1.022 89 S HN 0.035 8.496 8.310 0.251 0.000 0.418 90 P HA 0.200 4.787 4.420 0.279 0.000 0.342 90 P C -2.367 174.915 177.300 -0.030 0.000 1.231 90 P CA -1.315 61.918 63.100 0.222 0.000 0.801 90 P CB 2.161 33.937 31.700 0.128 0.000 1.419 91 C N -2.404 116.836 119.300 -0.100 0.000 3.171 91 C HA 0.323 4.430 4.460 -0.589 0.000 0.336 91 C C -0.084 174.868 174.990 -0.063 0.000 1.198 91 C CA -1.257 57.556 59.018 -0.341 0.000 1.319 91 C CB 2.566 30.051 27.740 -0.426 0.000 1.682 91 C HN 0.131 8.374 8.230 0.021 0.000 0.497 92 F N 3.069 122.947 119.950 -0.120 0.000 2.011 92 F HA -0.273 4.218 4.527 -0.060 0.000 0.296 92 F C 1.297 177.065 175.800 -0.052 0.000 1.144 92 F CA 2.164 60.120 58.000 -0.074 0.000 1.185 92 F CB -0.193 38.762 39.000 -0.075 0.000 0.961 92 F HN 0.580 8.355 8.300 -0.875 0.000 0.485 93 S N -2.250 113.527 115.700 0.129 0.000 2.483 93 S HA -0.013 4.495 4.470 0.063 0.000 0.221 93 S C 1.191 175.778 174.600 -0.022 0.000 1.030 93 S CA 2.271 60.501 58.200 0.049 0.000 0.925 93 S CB 0.311 63.535 63.200 0.040 0.000 0.795 93 S HN 0.312 8.688 8.310 0.111 0.000 0.511 94 C N 1.509 120.761 119.300 -0.080 0.000 2.425 94 C HA -0.079 4.258 4.460 -0.205 0.000 0.277 94 C C 1.895 176.837 174.990 -0.079 0.000 1.280 94 C CA 2.396 61.323 59.018 -0.151 0.000 1.744 94 C CB -1.861 25.762 27.740 -0.196 0.000 1.989 94 C HN -0.012 8.166 8.230 -0.085 0.000 0.491 95 A N -0.405 122.404 122.820 -0.017 0.000 1.903 95 A HA -0.274 4.077 4.320 0.051 0.000 0.213 95 A C 1.776 179.392 177.584 0.054 0.000 1.185 95 A CA 2.732 54.794 52.037 0.042 0.000 0.628 95 A CB -0.432 18.612 19.000 0.073 0.000 0.830 95 A HN -0.349 7.667 8.150 -0.026 0.118 0.446 96 Q N -1.080 118.753 119.800 0.055 0.000 2.077 96 Q HA -0.427 3.953 4.340 0.066 0.000 0.206 96 Q C 2.634 178.678 176.000 0.072 0.000 0.989 96 Q CA 3.949 59.789 55.803 0.062 0.000 0.853 96 Q CB -0.268 28.504 28.738 0.057 0.000 0.907 96 Q HN -0.409 7.894 8.270 0.054 0.000 0.418 97 E N -0.882 119.354 120.200 0.058 0.000 2.028 97 E HA -0.295 4.141 4.350 0.143 0.000 0.191 97 E C 2.117 178.812 176.600 0.159 0.000 0.988 97 E CA 2.594 59.057 56.400 0.105 0.000 0.799 97 E CB -0.161 29.562 29.700 0.038 0.000 0.755 97 E HN -0.304 8.072 8.360 0.028 0.000 0.447 98 M N -0.087 119.531 119.600 0.031 0.000 2.110 98 M HA -0.483 3.936 4.480 -0.102 0.000 0.257 98 M C 1.855 178.255 176.300 0.166 0.000 1.071 98 M CA 3.895 59.206 55.300 0.018 0.000 1.096 98 M CB 0.057 32.648 32.600 -0.015 0.000 1.300 98 M HN -0.728 7.550 8.290 -0.020 0.000 0.411 99 A N -2.714 120.191 122.820 0.141 0.000 1.927 99 A HA -0.430 3.982 4.320 0.152 0.000 0.220 99 A C 1.640 179.321 177.584 0.162 0.000 1.185 99 A CA 3.549 55.673 52.037 0.144 0.000 0.639 99 A CB -0.895 18.167 19.000 0.104 0.000 0.820 99 A HN 0.642 8.739 8.150 0.108 0.117 0.451 100 K N -0.995 119.506 120.400 0.169 0.000 1.971 100 K HA -0.366 4.002 4.320 0.081 0.000 0.221 100 K C 2.240 178.940 176.600 0.166 0.000 1.050 100 K CA 3.070 59.437 56.287 0.132 0.000 0.967 100 K CB -0.271 32.291 32.500 0.103 0.000 0.733 100 K HN -0.837 7.419 8.250 0.167 0.095 0.445 101 F N -3.896 116.093 119.950 0.065 0.000 2.167 101 F HA -0.351 4.239 4.527 0.105 0.000 0.301 101 F C 1.706 177.618 175.800 0.187 0.000 1.066 101 F CA 3.586 61.653 58.000 0.111 0.000 1.285 101 F CB -0.216 38.833 39.000 0.081 0.000 1.032 101 F HN -0.698 7.971 8.300 0.615 0.000 0.495 102 I N -6.171 114.611 120.570 0.354 0.000 3.035 102 I HA -0.174 4.213 4.170 0.362 0.000 0.271 102 I C 0.566 176.794 176.117 0.186 0.000 1.190 102 I CA 1.587 63.064 61.300 0.296 0.000 1.472 102 I CB 0.893 39.059 38.000 0.277 0.000 1.116 102 I HN -0.654 7.631 8.210 0.339 0.129 0.443 103 S N -1.791 113.993 115.700 0.140 0.000 2.556 103 S HA -0.012 4.505 4.470 0.077 0.000 0.216 103 S C 0.911 175.537 174.600 0.043 0.000 0.970 103 S CA 1.005 59.254 58.200 0.082 0.000 0.912 103 S CB -0.193 63.050 63.200 0.070 0.000 0.790 103 S HN 0.134 8.303 8.310 0.159 0.236 0.504 104 K N -0.395 120.027 120.400 0.037 0.000 2.374 104 K HA 0.164 4.467 4.320 -0.027 0.000 0.196 104 K C -1.358 175.216 176.600 -0.043 0.000 1.023 104 K CA -0.796 55.477 56.287 -0.023 0.000 1.103 104 K CB 0.364 32.815 32.500 -0.083 0.000 0.848 104 K HN 0.305 8.477 8.250 0.080 0.126 0.528 105 N N -1.288 117.399 118.700 -0.021 0.000 2.710 105 N HA 0.032 4.679 4.740 -0.156 0.000 0.257 105 N C -2.110 173.356 175.510 -0.073 0.000 1.140 105 N CA 0.109 53.080 53.050 -0.133 0.000 0.953 105 N CB 2.035 40.352 38.487 -0.282 0.000 1.664 105 N HN -0.941 7.385 8.380 0.036 0.076 0.497 106 K N 4.142 124.467 120.400 -0.126 0.000 2.229 106 K HA 0.068 4.416 4.320 0.047 0.000 0.247 106 K C -1.058 175.569 176.600 0.046 0.000 1.117 106 K CA -0.074 56.205 56.287 -0.013 0.000 1.036 106 K CB -0.540 31.951 32.500 -0.015 0.000 1.654 106 K HN 0.373 8.510 8.250 -0.188 0.000 0.405 107 H N -0.399 118.635 119.070 -0.060 0.000 4.107 107 H HA 0.065 4.640 4.556 -0.070 -0.061 0.215 107 H C -2.675 172.532 175.328 -0.202 0.000 1.144 107 H CA -0.897 55.075 56.048 -0.127 0.000 1.256 107 H CB -0.774 28.878 29.762 -0.183 0.000 3.176 107 H HN -0.093 8.366 8.280 0.297 0.000 0.546 108 V N 1.702 121.661 119.914 0.075 0.000 2.555 108 V HA 0.345 4.606 4.120 0.020 -0.130 0.283 108 V C -2.445 173.721 176.094 0.120 0.000 1.020 108 V CA -1.146 61.213 62.300 0.098 0.000 0.883 108 V CB 1.171 33.183 31.823 0.315 0.000 1.030 108 V HN -0.456 7.818 8.190 0.139 0.000 0.448 109 S N 9.678 125.425 115.700 0.079 0.000 2.452 109 S HA 0.322 4.816 4.470 0.039 0.000 0.284 109 S C -2.050 172.551 174.600 0.001 0.000 1.171 109 S CA 0.006 58.227 58.200 0.036 0.000 1.064 109 S CB 1.005 64.211 63.200 0.010 0.000 0.967 109 S HN -0.069 8.441 8.310 0.075 -0.155 0.484 110 L N 4.007 125.213 121.223 -0.028 0.000 2.371 110 L HA 1.001 5.566 4.340 -0.157 -0.318 0.262 110 L C -0.667 176.130 176.870 -0.123 0.000 1.006 110 L CA -0.715 54.057 54.840 -0.113 0.000 0.818 110 L CB 5.159 47.138 42.059 -0.135 0.000 1.354 110 L HN 0.310 8.537 8.230 -0.004 0.000 0.415 111 C N 2.953 122.137 119.300 -0.194 0.000 2.801 111 C HA 0.344 4.907 4.460 -0.125 -0.178 0.296 111 C C -1.170 173.662 174.990 -0.263 0.000 1.054 111 C CA -0.886 58.024 59.018 -0.180 0.000 1.442 111 C CB 1.151 28.800 27.740 -0.152 0.000 1.860 111 C HN 0.230 8.300 8.230 -0.266 0.000 0.459 112 I N 6.633 127.081 120.570 -0.204 0.000 2.276 112 I HA 0.133 4.311 4.170 -0.347 -0.216 0.290 112 I C -0.793 175.225 176.117 -0.166 0.000 1.109 112 I CA -0.579 60.587 61.300 -0.225 0.000 1.229 112 I CB 0.014 37.933 38.000 -0.136 0.000 1.452 112 I HN 0.228 8.255 8.210 -0.140 0.099 0.497 113 K N 8.207 128.498 120.400 -0.182 0.000 2.171 113 K HA 0.253 4.584 4.320 -0.078 -0.057 0.274 113 K C -0.294 176.259 176.600 -0.078 0.000 1.110 113 K CA -1.023 55.210 56.287 -0.091 0.000 0.952 113 K CB -1.013 31.465 32.500 -0.036 0.000 1.309 113 K HN 0.438 8.517 8.250 -0.286 0.000 0.414 114 T N 2.183 116.685 114.554 -0.085 0.000 2.907 114 T HA 0.515 5.022 4.350 -0.141 -0.243 0.284 114 T C 0.553 175.221 174.700 -0.053 0.000 1.004 114 T CA -2.875 59.165 62.100 -0.100 0.000 1.063 114 T CB 2.575 71.386 68.868 -0.094 0.000 0.992 114 T HN 0.230 8.425 8.240 -0.075 0.000 0.483 115 A N 3.512 126.308 122.820 -0.039 0.000 1.845 115 A HA -0.174 4.329 4.320 -0.012 -0.189 0.215 115 A C -1.057 176.550 177.584 0.039 0.000 1.195 115 A CA 2.499 54.544 52.037 0.013 0.000 0.616 115 A CB 0.580 19.637 19.000 0.094 0.000 0.832 115 A HN 0.630 8.615 8.150 -0.087 0.113 0.443 116 R N -7.196 113.343 120.500 0.065 0.000 3.062 116 R HA 0.076 4.451 4.340 0.058 0.000 0.279 116 R C -2.214 174.168 176.300 0.138 0.000 1.003 116 R CA -0.222 55.941 56.100 0.105 0.000 0.872 116 R CB 1.041 31.473 30.300 0.220 0.000 1.280 116 R HN -0.683 7.485 8.270 0.038 0.125 0.516 117 I N -5.923 114.700 120.570 0.089 0.000 2.827 117 I HA 0.272 4.556 4.170 0.191 0.000 0.298 117 I C -2.842 173.276 176.117 0.001 0.000 1.235 117 I CA -0.568 60.801 61.300 0.116 0.000 1.021 117 I CB 3.969 42.031 38.000 0.103 0.000 1.259 117 I HN -0.043 8.160 8.210 -0.012 0.000 0.427 118 Y N 2.380 122.719 120.300 0.064 0.000 2.327 118 Y HA 0.416 5.013 4.550 0.078 0.000 0.325 118 Y C -0.632 175.307 175.900 0.064 0.000 0.999 118 Y CA -0.943 57.200 58.100 0.071 0.000 1.195 118 Y CB 1.531 40.039 38.460 0.078 0.000 1.132 118 Y HN 0.088 8.526 8.280 0.263 0.000 0.455 119 D N 2.300 122.786 120.400 0.143 0.000 2.756 119 D HA 0.162 4.878 4.640 0.127 0.000 0.226 119 D C 0.185 176.527 176.300 0.070 0.000 1.186 119 D CA -0.867 53.198 54.000 0.108 0.000 0.845 119 D CB 2.479 43.334 40.800 0.093 0.000 1.610 119 D HN -0.262 8.150 8.370 0.070 0.000 0.465 120 D N 0.945 121.375 120.400 0.048 0.000 2.081 120 D HA -0.323 4.346 4.640 0.048 0.000 0.194 120 D C 0.639 176.944 176.300 0.008 0.000 0.986 120 D CA 2.417 56.434 54.000 0.030 0.000 0.837 120 D CB 0.684 41.491 40.800 0.012 0.000 0.985 120 D HN 0.491 8.887 8.370 0.043 0.000 0.448 121 Q N -7.025 112.765 119.800 -0.016 0.000 1.700 121 Q HA -0.015 4.315 4.340 -0.016 0.000 0.157 121 Q C -0.905 175.063 176.000 -0.054 0.000 0.667 121 Q CA -0.060 55.728 55.803 -0.025 0.000 0.718 121 Q CB 0.933 29.660 28.738 -0.017 0.000 1.160 121 Q HN -0.382 7.870 8.270 -0.031 0.000 0.356 122 G N -0.840 107.913 108.800 -0.078 0.000 2.410 122 G HA2 0.228 4.124 3.960 -0.106 0.000 0.330 122 G HA3 0.228 4.125 3.960 -0.104 0.000 0.330 122 G C -0.744 174.025 174.900 -0.220 0.000 1.142 122 G CA -0.984 44.044 45.100 -0.119 0.000 0.902 122 G HN -0.404 7.847 8.290 -0.066 0.000 0.491 123 R N 1.574 121.900 120.500 -0.291 0.000 3.423 123 R HA -0.459 3.884 4.340 -0.492 -0.299 0.271 123 R C -1.789 173.930 176.300 -0.969 0.000 1.093 123 R CA 1.123 56.876 56.100 -0.578 0.000 0.730 123 R CB -1.649 28.309 30.300 -0.569 0.000 1.190 123 R HN 0.246 8.482 8.270 -0.211 -0.092 0.437 124 A N -6.505 116.060 122.820 -0.424 0.000 1.583 124 A HA 0.019 4.445 4.320 0.177 0.000 0.191 124 A C 0.781 178.392 177.584 0.045 0.000 2.021 124 A CA 0.539 52.526 52.037 -0.083 0.000 1.623 124 A CB 0.364 19.383 19.000 0.031 0.000 1.582 124 A HN -0.243 7.752 8.150 -0.257 0.000 0.283 125 Q N -0.111 119.679 119.800 -0.016 0.000 2.291 125 Q HA -0.419 3.937 4.340 0.026 0.000 0.206 125 Q C 1.468 177.477 176.000 0.017 0.000 0.976 125 Q CA 3.779 59.586 55.803 0.007 0.000 0.875 125 Q CB 0.027 28.758 28.738 -0.012 0.000 0.927 125 Q HN -0.088 8.143 8.270 -0.065 0.000 0.450 126 E N -0.946 119.256 120.200 0.005 0.000 2.017 126 E HA -0.328 4.028 4.350 0.011 0.000 0.193 126 E C 2.120 178.750 176.600 0.050 0.000 0.997 126 E CA 3.001 59.411 56.400 0.018 0.000 0.804 126 E CB -1.125 28.576 29.700 0.002 0.000 0.757 126 E HN 0.242 8.548 8.360 -0.027 0.038 0.448 127 G N -0.882 107.969 108.800 0.086 0.000 2.484 127 G HA2 -0.181 3.827 3.960 0.080 0.000 0.218 127 G HA3 -0.181 4.129 3.960 0.116 -0.281 0.218 127 G C 1.369 176.322 174.900 0.089 0.000 1.130 127 G CA 0.808 45.965 45.100 0.095 0.000 0.784 127 G HN -0.181 8.174 8.290 0.108 0.000 0.543 128 L N 2.663 123.938 121.223 0.085 0.000 1.937 128 L HA -0.358 4.033 4.340 0.086 0.000 0.213 128 L C 1.961 178.866 176.870 0.058 0.000 1.077 128 L CA 2.846 57.730 54.840 0.073 0.000 0.758 128 L CB 0.070 42.165 42.059 0.059 0.000 0.888 128 L HN -0.470 7.676 8.230 0.087 0.136 0.433 129 R N -3.045 117.481 120.500 0.043 0.000 2.081 129 R HA -0.387 3.973 4.340 0.033 0.000 0.235 129 R C 2.675 179.001 176.300 0.043 0.000 1.131 129 R CA 3.818 59.940 56.100 0.036 0.000 0.960 129 R CB -0.170 30.145 30.300 0.025 0.000 0.856 129 R HN -0.265 8.028 8.270 0.039 0.000 0.436 130 T N 2.186 116.768 114.554 0.047 0.000 2.580 130 T HA -0.408 3.970 4.350 0.046 0.000 0.265 130 T C 1.554 176.295 174.700 0.068 0.000 1.063 130 T CA 5.825 67.957 62.100 0.053 0.000 1.170 130 T CB -0.346 68.554 68.868 0.054 0.000 0.863 130 T HN -0.510 7.757 8.240 0.045 0.000 0.418 131 L N 0.358 121.629 121.223 0.079 0.000 2.093 131 L HA -0.274 4.130 4.340 0.108 0.000 0.208 131 L C 0.790 177.712 176.870 0.087 0.000 1.085 131 L CA 3.100 57.999 54.840 0.097 0.000 0.755 131 L CB -0.345 41.780 42.059 0.111 0.000 0.904 131 L HN -0.635 7.642 8.230 0.077 0.000 0.435 132 A N -2.983 119.879 122.820 0.071 0.000 2.014 132 A HA -0.199 4.154 4.320 0.054 0.000 0.218 132 A C 2.104 179.714 177.584 0.043 0.000 1.163 132 A CA 2.633 54.703 52.037 0.054 0.000 0.652 132 A CB -0.549 18.478 19.000 0.046 0.000 0.808 132 A HN -0.218 7.974 8.150 0.070 0.000 0.449 133 E N -2.267 117.960 120.200 0.045 0.000 2.099 133 E HA -0.092 4.277 4.350 0.030 0.000 0.191 133 E C 0.333 176.960 176.600 0.045 0.000 0.962 133 E CA 1.682 58.104 56.400 0.037 0.000 0.826 133 E CB 1.107 30.826 29.700 0.032 0.000 0.788 133 E HN 0.235 8.405 8.360 0.050 0.220 0.461 134 A N -3.213 119.641 122.820 0.057 0.000 2.701 134 A HA 0.281 4.639 4.320 0.063 0.000 0.297 134 A C -0.882 176.760 177.584 0.097 0.000 1.197 134 A CA -0.306 51.772 52.037 0.068 0.000 0.963 134 A CB 0.141 19.177 19.000 0.060 0.000 1.175 134 A HN 0.225 8.300 8.150 0.059 0.110 0.531 135 G N -3.023 105.838 108.800 0.102 0.000 2.709 135 G HA2 0.190 4.251 3.960 0.169 0.000 0.197 135 G HA3 0.190 4.253 3.960 0.141 -0.019 0.197 135 G C -1.421 173.559 174.900 0.133 0.000 1.111 135 G CA 0.087 45.271 45.100 0.139 0.000 0.716 135 G HN -0.371 7.903 8.290 0.083 0.065 0.754 136 A N -1.701 121.169 122.820 0.083 0.000 2.415 136 A HA -0.002 4.341 4.320 0.038 0.000 0.294 136 A C -2.462 175.129 177.584 0.012 0.000 1.019 136 A CA 0.323 52.383 52.037 0.039 0.000 0.603 136 A CB 0.975 19.985 19.000 0.016 0.000 1.382 136 A HN -0.573 7.621 8.150 0.073 0.000 0.483 137 K N 0.661 121.049 120.400 -0.020 0.000 2.206 137 K HA 0.180 4.494 4.320 -0.009 0.000 0.268 137 K C -0.784 175.792 176.600 -0.039 0.000 1.111 137 K CA -1.583 54.689 56.287 -0.025 0.000 0.955 137 K CB -0.891 31.588 32.500 -0.034 0.000 1.406 137 K HN 0.163 8.250 8.250 -0.040 0.139 0.427 138 I N 4.776 125.333 120.570 -0.021 0.000 2.452 138 I HA 0.089 4.452 4.170 -0.047 -0.220 0.287 138 I C 0.141 176.238 176.117 -0.032 0.000 1.079 138 I CA -1.830 59.455 61.300 -0.026 0.000 1.387 138 I CB -1.724 36.278 38.000 0.003 0.000 1.404 138 I HN -0.285 7.923 8.210 -0.005 0.000 0.522 139 S N 6.704 122.375 115.700 -0.048 0.000 2.593 139 S HA 0.155 4.602 4.470 -0.038 0.000 0.297 139 S C -1.047 173.523 174.600 -0.051 0.000 1.112 139 S CA -1.289 56.884 58.200 -0.045 0.000 1.043 139 S CB 2.608 65.781 63.200 -0.044 0.000 1.054 139 S HN 0.629 8.761 8.310 -0.064 0.139 0.516 140 I N 3.302 123.836 120.570 -0.059 0.000 2.227 140 I HA 0.096 4.342 4.170 -0.060 -0.112 0.297 140 I C 0.384 176.436 176.117 -0.109 0.000 1.173 140 I CA -2.442 58.812 61.300 -0.077 0.000 1.356 140 I CB -1.847 36.100 38.000 -0.087 0.000 1.485 140 I HN 0.594 8.771 8.210 -0.056 0.000 0.604 141 M N 9.459 129.009 119.600 -0.083 0.000 3.705 141 M HA -0.003 4.528 4.480 -0.094 -0.108 0.191 141 M C -1.128 175.108 176.300 -0.107 0.000 1.570 141 M CA -0.472 54.779 55.300 -0.082 0.000 1.714 141 M CB -2.224 30.353 32.600 -0.038 0.000 1.148 141 M HN 0.804 9.017 8.290 -0.065 0.038 0.547 142 T N 1.711 116.132 114.554 -0.222 0.000 2.924 142 T HA 0.120 4.334 4.350 -0.227 0.000 0.301 142 T C 0.137 174.646 174.700 -0.318 0.000 1.120 142 T CA -1.063 60.846 62.100 -0.319 0.000 0.940 142 T CB 0.728 69.323 68.868 -0.455 0.000 1.591 142 T HN 0.109 8.124 8.240 -0.264 0.066 0.578 143 Y N -0.272 119.952 120.300 -0.126 0.000 2.170 143 Y HA -0.545 4.030 4.550 0.042 0.000 0.274 143 Y C 1.693 177.554 175.900 -0.065 0.000 1.253 143 Y CA 3.550 61.608 58.100 -0.069 0.000 1.133 143 Y CB -1.625 36.757 38.460 -0.131 0.000 0.941 143 Y HN 0.499 8.579 8.280 -0.334 0.000 0.518 144 S N 0.356 116.042 115.700 -0.025 0.000 2.325 144 S HA -0.273 4.286 4.470 0.150 0.000 0.213 144 S C 2.035 176.590 174.600 -0.076 0.000 1.031 144 S CA 3.527 61.749 58.200 0.037 0.000 0.984 144 S CB -0.393 62.804 63.200 -0.005 0.000 0.939 144 S HN 0.061 7.913 8.310 -0.723 0.024 0.438 145 E N 0.952 121.089 120.200 -0.104 0.000 2.478 145 E HA -0.192 4.178 4.350 0.034 0.000 0.198 145 E C 2.318 178.813 176.600 -0.176 0.000 1.046 145 E CA 1.815 58.174 56.400 -0.068 0.000 0.870 145 E CB -0.661 29.008 29.700 -0.051 0.000 0.818 145 E HN 0.154 8.415 8.360 -0.165 0.000 0.527 146 F N 3.188 122.885 119.950 -0.422 0.000 2.084 146 F HA -0.274 3.932 4.527 -0.534 0.000 0.296 146 F C 0.972 175.970 175.800 -1.338 0.000 1.111 146 F CA 1.637 59.253 58.000 -0.640 0.000 1.224 146 F CB 0.053 38.787 39.000 -0.443 0.000 0.991 146 F HN 0.802 8.890 8.300 -0.076 0.166 0.471 147 K N -1.762 117.864 120.400 -1.290 0.000 2.103 147 K HA -0.513 1.777 4.320 -3.384 0.000 0.207 147 K C 2.022 178.120 176.600 -0.836 0.000 1.048 147 K CA 3.682 59.013 56.287 -1.593 0.000 0.930 147 K CB -0.220 31.895 32.500 -0.642 0.000 0.716 147 K HN -0.626 7.235 8.250 -0.647 0.000 0.444 148 H N -0.035 118.702 119.070 -0.555 0.000 2.395 148 H HA -0.209 4.225 4.556 -0.202 0.000 0.299 148 H C 1.735 176.890 175.328 -0.288 0.000 1.070 148 H CA 2.387 58.259 56.048 -0.294 0.000 1.356 148 H CB 0.937 30.590 29.762 -0.181 0.000 1.401 148 H HN -0.601 7.390 8.280 -0.331 0.090 0.524 149 C N -0.031 118.924 119.300 -0.575 0.000 2.396 149 C HA -0.422 3.625 4.460 -0.689 0.000 0.277 149 C C 2.263 177.098 174.990 -0.258 0.000 1.231 149 C CA 3.498 62.164 59.018 -0.586 0.000 1.775 149 C CB -1.445 25.990 27.740 -0.507 0.000 2.036 149 C HN 0.516 8.174 8.230 -0.578 0.226 0.484 150 W N -1.831 119.386 121.300 -0.138 0.000 2.407 150 W HA -0.209 4.745 4.660 0.489 0.000 0.305 150 W C 1.983 178.559 176.519 0.095 0.000 1.196 150 W CA 0.959 58.366 57.345 0.103 0.000 1.311 150 W CB -1.409 28.006 29.460 -0.076 0.000 1.135 150 W HN -0.601 7.047 8.180 -0.693 0.117 0.514 151 D N -3.760 116.795 120.400 0.259 0.000 2.354 151 D HA -0.193 4.487 4.640 0.182 0.069 0.216 151 D C 1.197 177.607 176.300 0.183 0.000 0.970 151 D CA 2.561 56.686 54.000 0.208 0.000 0.905 151 D CB -0.092 40.824 40.800 0.193 0.000 0.903 151 D HN -0.578 7.815 8.370 0.169 0.078 0.508 152 T N -1.808 112.824 114.554 0.131 0.000 3.018 152 T HA -0.025 4.379 4.350 0.090 0.000 0.246 152 T C -0.773 173.952 174.700 0.043 0.000 1.026 152 T CA 1.058 63.178 62.100 0.032 0.000 1.081 152 T CB 1.505 70.266 68.868 -0.179 0.000 0.970 152 T HN -0.385 7.724 8.240 0.104 0.193 0.475 153 F N 0.292 120.119 119.950 -0.205 0.000 2.805 153 F HA 0.422 4.870 4.527 -0.131 0.000 0.317 153 F C -2.035 173.738 175.800 -0.046 0.000 1.146 153 F CA -2.823 55.082 58.000 -0.159 0.000 1.265 153 F CB -0.244 38.602 39.000 -0.257 0.000 0.992 153 F HN -0.694 7.775 8.300 0.426 0.086 0.511 154 V N 1.215 121.069 119.914 -0.098 0.000 2.656 154 V HA 0.074 3.943 4.120 -0.419 0.000 0.307 154 V C 0.449 176.505 176.094 -0.064 0.000 1.051 154 V CA -0.929 61.246 62.300 -0.209 0.000 0.893 154 V CB 3.483 35.242 31.823 -0.105 0.000 0.999 154 V HN -0.629 7.544 8.190 0.070 0.059 0.426 155 D N 5.833 126.194 120.400 -0.066 0.000 2.182 155 D HA -0.210 4.410 4.640 -0.033 0.000 0.201 155 D C 0.426 176.727 176.300 0.002 0.000 0.986 155 D CA 2.905 56.895 54.000 -0.017 0.000 0.847 155 D CB -0.059 40.745 40.800 0.007 0.000 0.942 155 D HN 0.552 8.851 8.370 -0.118 0.000 0.467 156 H N -4.561 114.476 119.070 -0.056 0.000 2.553 156 H HA 0.068 4.611 4.556 -0.022 0.000 0.265 156 H C -1.311 174.018 175.328 0.002 0.000 0.964 156 H CA 0.212 56.242 56.048 -0.030 0.000 1.156 156 H CB 0.739 30.475 29.762 -0.043 0.000 1.411 156 H HN -0.491 7.854 8.280 0.142 0.020 0.558 157 Q N -2.618 117.246 119.800 0.105 0.000 2.401 157 Q HA -0.350 4.289 4.340 0.135 -0.219 0.355 157 Q C -0.427 175.681 176.000 0.179 0.000 1.355 157 Q CA 0.457 56.333 55.803 0.122 0.000 0.971 157 Q CB -1.703 27.080 28.738 0.075 0.000 1.102 157 Q HN -0.433 7.673 8.270 0.077 0.210 0.309 158 G N -1.492 107.474 108.800 0.278 0.000 2.414 158 G HA2 -0.402 4.036 3.960 0.796 0.000 0.256 158 G HA3 -0.402 3.767 3.960 0.347 0.000 0.256 158 G C -0.776 174.262 174.900 0.231 0.000 1.128 158 G CA -0.561 44.797 45.100 0.431 0.000 0.944 158 G HN -0.317 8.076 8.290 0.296 0.075 0.500 159 A N -0.662 122.139 122.820 -0.031 0.000 2.577 159 A HA -0.070 4.157 4.320 -0.154 0.000 0.233 159 A C -0.795 176.597 177.584 -0.320 0.000 1.076 159 A CA -0.826 51.063 52.037 -0.246 0.000 0.767 159 A CB -0.224 18.541 19.000 -0.392 0.000 1.017 159 A HN -0.180 7.964 8.150 -0.010 0.000 0.511 160 P HA -0.073 4.275 4.420 -0.120 0.000 0.235 160 P C -2.166 174.934 177.300 -0.334 0.000 1.720 160 P CA 0.303 63.245 63.100 -0.263 0.000 1.003 160 P CB -2.361 29.158 31.700 -0.302 0.000 1.968 161 F N 3.213 122.818 119.950 -0.575 0.000 2.405 161 F HA 0.103 4.564 4.527 -0.111 0.000 0.355 161 F C -1.713 174.071 175.800 -0.027 0.000 1.121 161 F CA -1.385 56.351 58.000 -0.440 0.000 1.112 161 F CB 2.585 40.920 39.000 -1.107 0.000 1.126 161 F HN 0.016 7.932 8.300 -0.518 0.073 0.481 162 Q N 6.849 126.695 119.800 0.077 0.000 2.304 162 Q HA 0.220 4.705 4.340 0.241 0.000 0.260 162 Q C -2.127 174.183 176.000 0.516 0.000 0.965 162 Q CA -2.875 53.029 55.803 0.168 0.000 0.898 162 Q CB -0.009 28.656 28.738 -0.122 0.000 1.196 162 Q HN 0.040 8.200 8.270 -0.183 0.000 0.402 163 P HA 0.124 5.060 4.420 0.860 0.000 0.286 163 P C -1.768 175.763 177.300 0.386 0.000 1.261 163 P CA -0.638 62.782 63.100 0.534 0.000 0.821 163 P CB 0.765 32.641 31.700 0.294 0.000 1.013 164 W N -0.351 121.115 121.300 0.276 0.000 2.469 164 W HA 0.268 4.977 4.660 0.082 0.000 0.320 164 W C -0.234 176.356 176.519 0.118 0.000 1.086 164 W CA -2.109 55.323 57.345 0.145 0.000 1.211 164 W CB 0.977 30.518 29.460 0.135 0.000 1.298 164 W HN -0.431 7.789 8.180 0.066 0.000 0.525 165 D N 5.574 126.056 120.400 0.136 0.000 2.203 165 D HA -0.419 4.190 4.640 -0.052 0.000 0.199 165 D C 2.114 178.394 176.300 -0.033 0.000 0.997 165 D CA 3.960 57.969 54.000 0.015 0.000 0.863 165 D CB -0.117 40.705 40.800 0.038 0.000 0.928 165 D HN 0.540 9.023 8.370 0.189 0.000 0.458 166 G N -0.833 108.045 108.800 0.130 0.000 2.485 166 G HA2 -0.245 3.565 3.960 -0.249 0.000 0.221 166 G HA3 -0.245 3.974 3.960 0.433 0.000 0.221 166 G C 1.027 175.610 174.900 -0.529 0.000 1.115 166 G CA 1.623 46.671 45.100 -0.085 0.000 0.751 166 G HN 0.169 8.663 8.290 0.395 0.034 0.567 167 L N 1.351 122.329 121.223 -0.408 0.000 2.042 167 L HA -0.370 3.971 4.340 0.002 0.000 0.210 167 L C 1.938 178.864 176.870 0.093 0.000 1.076 167 L CA 2.871 57.578 54.840 -0.222 0.000 0.749 167 L CB -0.430 41.381 42.059 -0.413 0.000 0.893 167 L HN 0.681 8.377 8.230 -0.620 0.162 0.432 168 D N -0.572 119.868 120.400 0.066 0.000 2.144 168 D HA -0.317 4.585 4.640 0.437 0.000 0.199 168 D C 2.596 178.941 176.300 0.076 0.000 0.984 168 D CA 3.642 57.722 54.000 0.133 0.000 0.834 168 D CB -0.163 40.609 40.800 -0.046 0.000 0.955 168 D HN -0.066 8.143 8.370 -0.073 0.117 0.465 169 E N -0.025 120.136 120.200 -0.065 0.000 2.028 169 E HA -0.342 4.040 4.350 0.053 0.000 0.190 169 E C 2.492 179.179 176.600 0.146 0.000 0.984 169 E CA 3.005 59.393 56.400 -0.020 0.000 0.800 169 E CB 0.288 29.913 29.700 -0.124 0.000 0.758 169 E HN -0.750 7.402 8.360 -0.168 0.107 0.448 170 H N -0.760 118.509 119.070 0.331 0.000 2.299 170 H HA -0.195 4.748 4.556 0.645 0.000 0.302 170 H C 2.673 178.083 175.328 0.137 0.000 1.078 170 H CA 2.748 59.032 56.048 0.394 0.000 1.323 170 H CB 0.157 30.176 29.762 0.429 0.000 1.381 170 H HN 0.691 8.526 8.280 -0.542 0.120 0.498 171 S N 0.232 116.027 115.700 0.158 0.000 2.369 171 S HA -0.438 3.992 4.470 -0.066 0.000 0.225 171 S C 2.453 177.058 174.600 0.007 0.000 1.043 171 S CA 3.681 61.866 58.200 -0.024 0.000 1.074 171 S CB -0.371 62.689 63.200 -0.234 0.000 0.962 171 S HN 0.585 8.870 8.310 0.164 0.123 0.433 172 Q N 0.411 120.253 119.800 0.071 0.000 2.197 172 Q HA -0.385 3.981 4.340 0.043 0.000 0.207 172 Q C 1.909 177.923 176.000 0.023 0.000 0.984 172 Q CA 3.029 58.867 55.803 0.058 0.000 0.869 172 Q CB -0.137 28.651 28.738 0.083 0.000 0.906 172 Q HN -0.419 7.921 8.270 0.117 0.000 0.426 173 D N 0.291 120.702 120.400 0.018 0.000 2.087 173 D HA -0.199 4.393 4.640 -0.080 0.000 0.201 173 D C 1.884 178.092 176.300 -0.154 0.000 0.980 173 D CA 3.071 57.000 54.000 -0.117 0.000 0.849 173 D CB -0.020 40.553 40.800 -0.377 0.000 1.001 173 D HN -0.639 7.631 8.370 0.086 0.151 0.452 174 L N -0.241 120.897 121.223 -0.143 0.000 2.051 174 L HA -0.471 3.793 4.340 -0.126 0.000 0.214 174 L C 2.130 178.962 176.870 -0.062 0.000 1.076 174 L CA 3.227 58.009 54.840 -0.097 0.000 0.758 174 L CB -0.166 41.868 42.059 -0.042 0.000 0.890 174 L HN 0.310 8.377 8.230 -0.108 0.099 0.433 175 S N -0.390 115.279 115.700 -0.051 0.000 2.335 175 S HA -0.386 4.061 4.470 -0.039 0.000 0.216 175 S C 2.209 176.792 174.600 -0.030 0.000 1.032 175 S CA 4.325 62.502 58.200 -0.039 0.000 1.000 175 S CB -0.584 62.593 63.200 -0.037 0.000 0.928 175 S HN 0.159 8.431 8.310 -0.049 0.009 0.434 176 G N 0.776 109.561 108.800 -0.025 0.000 2.469 176 G HA2 -0.331 3.623 3.960 -0.010 0.000 0.220 176 G HA3 -0.331 3.622 3.960 -0.012 0.000 0.220 176 G C 1.409 176.295 174.900 -0.023 0.000 1.136 176 G CA 1.841 46.931 45.100 -0.017 0.000 0.759 176 G HN -0.499 7.777 8.290 -0.023 0.000 0.562 177 R N 2.037 122.513 120.500 -0.040 0.000 2.055 177 R HA -0.183 4.139 4.340 -0.030 0.000 0.228 177 R C 1.940 178.225 176.300 -0.025 0.000 1.143 177 R CA 2.511 58.587 56.100 -0.040 0.000 0.945 177 R CB -0.405 29.851 30.300 -0.072 0.000 0.841 177 R HN 0.002 8.219 8.270 -0.056 0.019 0.429 178 L N -0.607 120.600 121.223 -0.026 0.000 2.197 178 L HA -0.365 3.971 4.340 -0.005 0.000 0.215 178 L C 1.502 178.368 176.870 -0.007 0.000 1.095 178 L CA 3.317 58.150 54.840 -0.012 0.000 0.764 178 L CB -0.191 41.859 42.059 -0.014 0.000 0.897 178 L HN 0.135 8.235 8.230 -0.037 0.108 0.436 179 R N -2.711 117.783 120.500 -0.010 0.000 2.075 179 R HA -0.231 4.106 4.340 -0.004 0.000 0.226 179 R C 2.129 178.427 176.300 -0.003 0.000 1.114 179 R CA 1.556 57.652 56.100 -0.006 0.000 0.972 179 R CB -1.731 28.566 30.300 -0.006 0.000 0.869 179 R HN -0.314 7.799 8.270 -0.015 0.148 0.437 180 A N 0.545 123.362 122.820 -0.005 0.000 1.897 180 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 180 A C 1.913 179.496 177.584 -0.001 0.000 1.181 180 A CA 2.738 54.773 52.037 -0.003 0.000 0.620 180 A CB -0.770 18.228 19.000 -0.004 0.000 0.821 180 A HN -0.049 8.002 8.150 -0.009 0.094 0.443 181 I N -2.865 117.704 120.570 -0.001 0.000 2.133 181 I HA -0.396 3.776 4.170 0.003 0.000 0.238 181 I C 1.255 177.376 176.117 0.007 0.000 1.074 181 I CA 3.217 64.519 61.300 0.004 0.000 1.342 181 I CB -0.427 37.577 38.000 0.007 0.000 1.053 181 I HN 0.381 8.472 8.210 -0.004 0.116 0.404 182 L N -1.229 119.999 121.223 0.008 0.000 1.994 182 L HA -0.306 4.043 4.340 0.014 0.000 0.208 182 L C 2.309 179.184 176.870 0.008 0.000 1.071 182 L CA 3.020 57.867 54.840 0.010 0.000 0.745 182 L CB -0.586 41.479 42.059 0.010 0.000 0.892 182 L HN -0.587 7.647 8.230 0.006 0.000 0.431 183 Q N -3.385 116.417 119.800 0.005 0.000 2.291 183 Q HA -0.253 4.089 4.340 0.005 0.000 0.205 183 Q C 0.128 176.131 176.000 0.004 0.000 0.970 183 Q CA 1.741 57.546 55.803 0.004 0.000 0.876 183 Q CB 0.531 29.270 28.738 0.002 0.000 0.935 183 Q HN -0.286 7.986 8.270 0.003 0.000 0.455 184 N N -4.014 114.688 118.700 0.004 0.000 2.778 184 N HA -0.487 4.355 4.740 0.003 -0.101 0.249 184 N C -0.975 174.536 175.510 0.002 0.000 1.069 184 N CA 0.871 53.923 53.050 0.003 0.000 0.831 184 N CB -1.801 36.689 38.487 0.004 0.000 1.142 184 N HN -0.199 7.943 8.380 0.004 0.240 0.573 185 Q N -2.411 117.390 119.800 0.002 0.000 2.364 185 Q HA -0.200 4.141 4.340 0.002 0.000 0.263 185 Q C -0.060 175.941 176.000 0.001 0.000 1.276 185 Q CA 0.678 56.482 55.803 0.002 0.000 0.923 185 Q CB -1.772 26.967 28.738 0.002 0.000 1.477 185 Q HN -0.394 7.812 8.270 0.002 0.066 0.484 186 E N 6.042 126.243 120.200 0.001 0.000 2.003 186 E HA -0.073 4.278 4.350 0.001 0.000 0.279 186 E C -0.832 175.769 176.600 0.002 0.000 1.132 186 E CA 0.146 56.547 56.400 0.001 0.000 0.888 186 E CB 0.053 29.753 29.700 0.000 0.000 1.056 186 E HN 0.016 8.377 8.360 0.001 0.000 0.399 187 N N 0.000 118.702 118.700 0.003 0.000 1.763 187 N HA 0.000 4.742 4.740 0.003 0.000 0.220 187 N CA 0.000 53.052 53.050 0.004 0.000 0.885 187 N CB 0.000 38.489 38.487 0.004 0.000 1.341 187 N HN 0.000 8.382 8.380 0.003 0.000 0.667