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 2o2f_1_A DATA FIRST_RESID 6 DATA SEQUENCE GYDNREIVMK YIHYKLSQRG YEWDXXXXXX XXXXXXXXXX XXEXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXVVHLTLR QAGDDFSRRY DATA SEQUENCE RRDFAEMSSQ LHLTPFTARG RFATVVEELF RDGVNWGRIV AFFEFGGVMC DATA SEQUENCE VESVNREMSP LVDNIALWMT EYLNRHLHTW IQDNGGWDAF VELYGP 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.829 3.960 -0.218 0.000 0.244 6 G C 0.000 174.544 174.900 -0.593 0.000 0.946 6 G CA 0.000 44.861 45.100 -0.398 0.000 0.502 7 Y N 0.089 120.399 120.300 0.016 0.000 2.391 7 Y HA 0.243 4.814 4.550 0.036 0.000 0.341 7 Y C -1.466 174.403 175.900 -0.052 0.000 0.965 7 Y CA -0.483 57.607 58.100 -0.016 0.000 1.067 7 Y CB 2.305 40.712 38.460 -0.089 0.000 1.199 7 Y HN 0.021 8.310 8.280 0.016 0.000 0.450 8 D N 3.498 123.959 120.400 0.101 0.000 2.593 8 D HA 0.245 4.905 4.640 0.033 0.000 0.251 8 D C -0.402 175.934 176.300 0.059 0.000 1.140 8 D CA -0.476 53.556 54.000 0.054 0.000 0.855 8 D CB 3.287 44.115 40.800 0.046 0.000 1.267 8 D HN 0.111 8.566 8.370 0.143 0.000 0.532 9 N N 3.806 122.520 118.700 0.023 0.000 2.244 9 N HA -0.250 4.549 4.740 0.098 0.000 0.183 9 N C 1.040 176.638 175.510 0.147 0.000 1.016 9 N CA 3.426 56.522 53.050 0.076 0.000 0.866 9 N CB 0.167 38.677 38.487 0.038 0.000 0.980 9 N HN 0.583 8.961 8.380 -0.003 0.000 0.430 10 R N 0.036 120.589 120.500 0.089 0.000 2.075 10 R HA -0.078 4.325 4.340 0.105 0.000 0.226 10 R C 1.734 178.082 176.300 0.079 0.000 1.114 10 R CA 3.311 59.458 56.100 0.079 0.000 0.972 10 R CB -0.061 30.256 30.300 0.029 0.000 0.869 10 R HN 0.109 8.392 8.270 0.052 0.019 0.437 11 E N -1.270 118.973 120.200 0.072 0.000 2.153 11 E HA -0.248 4.109 4.350 0.011 0.000 0.194 11 E C 2.215 178.896 176.600 0.135 0.000 0.988 11 E CA 2.966 59.404 56.400 0.063 0.000 0.811 11 E CB -0.454 29.279 29.700 0.056 0.000 0.746 11 E HN 0.250 8.649 8.360 0.065 0.000 0.466 12 I N -1.161 119.542 120.570 0.223 0.000 2.480 12 I HA -0.248 4.286 4.170 0.320 -0.172 0.251 12 I C 1.950 178.333 176.117 0.443 0.000 1.124 12 I CA 3.621 65.126 61.300 0.342 0.000 1.444 12 I CB 0.741 38.992 38.000 0.419 0.000 1.098 12 I HN -0.495 7.819 8.210 0.207 0.020 0.428 13 V N 0.480 120.636 119.914 0.404 0.000 2.515 13 V HA -0.477 4.010 4.120 0.611 0.000 0.250 13 V C 1.298 177.572 176.094 0.300 0.000 1.058 13 V CA 4.233 66.784 62.300 0.418 0.000 1.064 13 V CB -0.013 31.988 31.823 0.296 0.000 0.675 13 V HN -0.513 7.798 8.190 0.325 0.074 0.461 14 M N -4.776 114.915 119.600 0.152 0.000 2.447 14 M HA -0.173 4.313 4.480 0.010 0.000 0.264 14 M C 0.489 176.781 176.300 -0.013 0.000 1.095 14 M CA 2.289 57.575 55.300 -0.022 0.000 1.125 14 M CB 0.877 33.350 32.600 -0.210 0.000 1.389 14 M HN -0.282 8.089 8.290 0.136 0.000 0.459 15 K N -4.442 116.037 120.400 0.131 0.000 2.308 15 K HA -0.080 4.330 4.320 0.150 0.000 0.197 15 K C 1.799 178.650 176.600 0.418 0.000 1.049 15 K CA 0.422 56.830 56.287 0.201 0.000 0.991 15 K CB 0.778 33.357 32.500 0.132 0.000 0.836 15 K HN -0.633 7.629 8.250 0.177 0.094 0.500 16 Y N 0.757 121.270 120.300 0.355 0.000 2.639 16 Y HA -0.301 4.524 4.550 0.457 0.000 0.297 16 Y C 0.229 176.365 175.900 0.393 0.000 1.151 16 Y CA 2.362 60.712 58.100 0.417 0.000 1.335 16 Y CB 0.273 39.000 38.460 0.446 0.000 0.994 16 Y HN -0.128 8.370 8.280 0.540 0.105 0.548 17 I N -5.220 115.584 120.570 0.390 0.000 3.838 17 I HA -0.055 4.208 4.170 0.156 0.000 0.320 17 I C -0.810 175.495 176.117 0.314 0.000 1.429 17 I CA -0.603 60.872 61.300 0.292 0.000 1.223 17 I CB -2.159 36.056 38.000 0.358 0.000 1.147 17 I HN -0.326 8.092 8.210 0.457 0.066 0.410 18 H N -1.243 117.952 119.070 0.209 0.000 2.439 18 H HA 0.043 4.773 4.556 0.290 0.000 0.299 18 H C 0.506 175.915 175.328 0.135 0.000 1.033 18 H CA 1.259 57.436 56.048 0.215 0.000 1.348 18 H CB 1.049 30.931 29.762 0.201 0.000 1.449 18 H HN -0.801 7.529 8.280 0.258 0.104 0.544 19 Y N 0.663 120.285 120.300 -1.130 0.000 2.373 19 Y HA -0.280 3.912 4.550 -0.597 0.000 0.293 19 Y C 1.375 177.073 175.900 -0.337 0.000 1.129 19 Y CA 2.780 60.426 58.100 -0.757 0.000 1.226 19 Y CB -0.103 37.924 38.460 -0.721 0.000 1.000 19 Y HN 0.059 7.637 8.280 -1.170 0.000 0.549 20 K N -3.890 116.349 120.400 -0.270 0.000 2.296 20 K HA -0.174 3.980 4.320 -0.277 0.000 0.200 20 K C 0.227 176.707 176.600 -0.201 0.000 1.048 20 K CA 1.345 57.500 56.287 -0.220 0.000 0.966 20 K CB -0.112 32.323 32.500 -0.109 0.000 0.754 20 K HN 0.256 8.332 8.250 -0.244 0.028 0.466 21 L N -3.938 117.188 121.223 -0.162 0.000 2.445 21 L HA 0.191 4.389 4.340 -0.237 0.000 0.207 21 L C 1.383 178.204 176.870 -0.082 0.000 1.053 21 L CA 1.097 55.824 54.840 -0.189 0.000 0.841 21 L CB 0.747 42.595 42.059 -0.352 0.000 1.074 21 L HN -0.950 7.073 8.230 -0.113 0.140 0.479 22 S N -0.304 115.399 115.700 0.006 0.000 2.380 22 S HA -0.512 4.117 4.470 0.088 -0.106 0.229 22 S C 1.809 176.385 174.600 -0.040 0.000 1.043 22 S CA 3.531 61.755 58.200 0.041 0.000 1.038 22 S CB -0.143 63.126 63.200 0.115 0.000 0.872 22 S HN 0.498 8.705 8.310 0.025 0.118 0.456 23 Q N -0.229 119.484 119.800 -0.146 0.000 2.217 23 Q HA -0.276 3.978 4.340 -0.144 0.000 0.209 23 Q C 1.819 177.750 176.000 -0.115 0.000 0.988 23 Q CA 2.471 58.166 55.803 -0.180 0.000 0.878 23 Q CB 0.109 28.654 28.738 -0.321 0.000 0.909 23 Q HN -0.488 7.647 8.270 -0.211 0.008 0.424 24 R N -2.687 117.750 120.500 -0.105 0.000 2.225 24 R HA 0.183 4.479 4.340 -0.074 0.000 0.194 24 R C -0.572 175.703 176.300 -0.043 0.000 0.957 24 R CA -0.788 55.264 56.100 -0.080 0.000 1.042 24 R CB 2.118 32.356 30.300 -0.103 0.000 1.004 24 R HN -0.120 7.920 8.270 -0.119 0.158 0.509 25 G N -2.224 106.567 108.800 -0.014 0.000 2.308 25 G HA2 -0.179 3.795 3.960 0.023 0.000 0.182 25 G HA3 -0.179 3.794 3.960 0.021 0.000 0.182 25 G C -2.267 172.727 174.900 0.156 0.000 1.488 25 G CA 0.159 45.280 45.100 0.035 0.000 1.144 25 G HN 0.094 8.158 8.290 -0.024 0.211 0.608 26 Y N 1.566 121.798 120.300 -0.114 0.000 2.982 26 Y HA 0.245 4.668 4.550 -0.212 0.000 0.312 26 Y C -1.981 173.805 175.900 -0.191 0.000 1.601 26 Y CA -0.174 57.816 58.100 -0.182 0.000 1.092 26 Y CB 2.182 40.530 38.460 -0.188 0.000 1.918 26 Y HN -0.336 8.000 8.280 0.092 0.000 0.425 27 E N -0.290 119.641 120.200 -0.448 0.000 2.458 27 E HA 0.186 4.441 4.350 -0.159 0.000 0.250 27 E C -2.054 174.453 176.600 -0.155 0.000 0.883 27 E CA -0.642 55.527 56.400 -0.386 0.000 0.868 27 E CB 2.268 31.595 29.700 -0.621 0.000 1.593 27 E HN -0.113 7.734 8.360 -0.855 0.000 0.410 28 W N -3.898 117.393 121.300 -0.014 0.000 3.078 28 W HA -0.355 4.284 4.660 -0.035 0.000 0.320 28 W C -1.564 174.906 176.519 -0.081 0.000 0.080 28 W CA -0.025 57.318 57.345 -0.003 0.000 0.459 28 W CB -0.384 29.117 29.460 0.069 0.000 2.858 28 W HN -0.057 8.124 8.180 0.001 0.000 0.416 90 V N -0.944 119.082 119.914 0.187 0.000 3.573 90 V HA -0.065 4.118 4.120 0.104 0.000 0.270 90 V C 0.319 176.493 176.094 0.133 0.000 1.221 90 V CA 1.418 63.807 62.300 0.150 0.000 1.163 90 V CB 0.235 32.170 31.823 0.187 0.000 0.847 90 V HN -0.320 7.988 8.190 0.197 0.000 0.468 91 H N 1.059 120.208 119.070 0.131 0.000 2.457 91 H HA -0.320 4.409 4.556 0.289 0.000 0.297 91 H C 0.291 175.656 175.328 0.062 0.000 1.092 91 H CA 2.598 58.758 56.048 0.186 0.000 1.309 91 H CB -0.905 29.009 29.762 0.253 0.000 1.382 91 H HN -0.086 8.365 8.280 0.401 0.069 0.535 92 L N -1.727 119.203 121.223 -0.488 0.000 2.137 92 L HA -0.389 3.433 4.340 -0.864 0.000 0.213 92 L C 2.010 178.683 176.870 -0.328 0.000 1.085 92 L CA 2.677 57.208 54.840 -0.515 0.000 0.760 92 L CB -0.297 41.651 42.059 -0.185 0.000 0.893 92 L HN -0.390 7.777 8.230 -0.050 0.033 0.434 93 T N -0.017 114.393 114.554 -0.241 0.000 2.739 93 T HA -0.156 4.080 4.350 -0.189 0.000 0.249 93 T C 1.620 176.154 174.700 -0.277 0.000 1.050 93 T CA 3.288 65.242 62.100 -0.243 0.000 1.165 93 T CB 0.219 68.908 68.868 -0.298 0.000 0.872 93 T HN -0.324 7.665 8.240 -0.196 0.133 0.411 94 L N 1.162 122.186 121.223 -0.332 0.000 2.129 94 L HA -0.422 3.617 4.340 -0.502 0.000 0.212 94 L C 2.157 179.033 176.870 0.009 0.000 1.087 94 L CA 3.559 58.208 54.840 -0.318 0.000 0.757 94 L CB -0.640 41.111 42.059 -0.513 0.000 0.896 94 L HN -0.369 7.655 8.230 -0.343 0.000 0.434 95 R N -0.908 119.602 120.500 0.016 0.000 2.082 95 R HA -0.394 4.039 4.340 0.156 0.000 0.228 95 R C 1.922 178.198 176.300 -0.040 0.000 1.140 95 R CA 3.287 59.376 56.100 -0.018 0.000 0.920 95 R CB -0.741 29.342 30.300 -0.362 0.000 0.828 95 R HN 0.618 8.698 8.270 -0.092 0.135 0.430 96 Q N -0.506 119.219 119.800 -0.125 0.000 2.217 96 Q HA -0.337 3.973 4.340 -0.050 0.000 0.209 96 Q C 2.518 178.492 176.000 -0.042 0.000 0.988 96 Q CA 3.321 59.080 55.803 -0.075 0.000 0.878 96 Q CB -0.238 28.446 28.738 -0.090 0.000 0.909 96 Q HN -0.560 7.583 8.270 -0.211 0.000 0.424 97 A N -2.717 120.060 122.820 -0.071 0.000 1.970 97 A HA -0.069 4.184 4.320 -0.111 0.000 0.216 97 A C 2.196 179.790 177.584 0.017 0.000 1.170 97 A CA 2.281 54.266 52.037 -0.086 0.000 0.645 97 A CB -0.626 18.274 19.000 -0.166 0.000 0.816 97 A HN -0.114 7.953 8.150 -0.102 0.023 0.447 98 G N -1.123 107.722 108.800 0.074 0.000 2.395 98 G HA2 -0.304 3.772 3.960 0.194 0.000 0.214 98 G HA3 -0.304 3.833 3.960 0.240 -0.033 0.214 98 G C 0.739 175.762 174.900 0.206 0.000 1.177 98 G CA 1.543 46.755 45.100 0.187 0.000 0.794 98 G HN 0.080 8.186 8.290 0.051 0.214 0.532 99 D N 1.844 122.335 120.400 0.150 0.000 2.116 99 D HA -0.304 4.404 4.640 0.114 0.000 0.193 99 D C 1.860 178.211 176.300 0.086 0.000 0.998 99 D CA 3.806 57.879 54.000 0.121 0.000 0.836 99 D CB 0.111 40.989 40.800 0.129 0.000 0.951 99 D HN 0.458 8.794 8.370 0.133 0.114 0.449 100 D N -0.909 119.542 120.400 0.084 0.000 2.178 100 D HA -0.278 4.387 4.640 0.042 0.000 0.201 100 D C 1.907 178.278 176.300 0.118 0.000 0.980 100 D CA 4.051 58.094 54.000 0.071 0.000 0.842 100 D CB -0.073 40.756 40.800 0.048 0.000 0.948 100 D HN -0.744 7.671 8.370 0.075 0.000 0.472 101 F N 0.621 120.587 119.950 0.026 0.000 2.060 101 F HA -0.291 4.327 4.527 0.152 0.000 0.295 101 F C 0.994 176.830 175.800 0.059 0.000 1.120 101 F CA 2.651 60.695 58.000 0.073 0.000 1.205 101 F CB 0.424 39.443 39.000 0.033 0.000 0.986 101 F HN -0.772 7.572 8.300 0.276 0.122 0.470 102 S N 0.567 116.137 115.700 -0.217 0.000 2.380 102 S HA -0.558 3.481 4.470 -0.718 0.000 0.229 102 S C 2.052 176.492 174.600 -0.267 0.000 1.043 102 S CA 3.458 61.423 58.200 -0.392 0.000 1.038 102 S CB -0.002 63.071 63.200 -0.212 0.000 0.872 102 S HN 0.159 8.539 8.310 0.117 0.000 0.456 103 R N 0.488 120.904 120.500 -0.140 0.000 2.057 103 R HA -0.278 4.005 4.340 -0.095 0.000 0.229 103 R C 3.019 179.247 176.300 -0.121 0.000 1.136 103 R CA 2.897 58.938 56.100 -0.099 0.000 0.952 103 R CB -0.082 30.189 30.300 -0.048 0.000 0.848 103 R HN -0.635 7.573 8.270 -0.085 0.011 0.430 104 R N -0.782 119.653 120.500 -0.108 0.000 2.070 104 R HA -0.268 3.978 4.340 -0.155 0.000 0.232 104 R C 2.783 178.906 176.300 -0.296 0.000 1.138 104 R CA 3.228 59.236 56.100 -0.153 0.000 0.936 104 R CB 0.398 30.680 30.300 -0.031 0.000 0.839 104 R HN -0.244 7.988 8.270 -0.063 0.000 0.429 105 Y N -2.969 117.141 120.300 -0.316 0.000 2.928 105 Y HA 0.194 4.656 4.550 -0.146 0.000 0.390 105 Y C -0.746 174.950 175.900 -0.341 0.000 1.101 105 Y CA -0.595 57.309 58.100 -0.326 0.000 1.777 105 Y CB -1.921 36.299 38.460 -0.400 0.000 1.720 105 Y HN 0.441 8.518 8.280 -0.164 0.105 0.484 106 R N 1.081 121.503 120.500 -0.129 0.000 2.073 106 R HA -0.225 4.116 4.340 -0.083 -0.051 0.229 106 R C 1.760 178.095 176.300 0.059 0.000 1.120 106 R CA 3.537 59.604 56.100 -0.054 0.000 0.967 106 R CB 0.180 30.441 30.300 -0.064 0.000 0.862 106 R HN -0.563 7.543 8.270 -0.151 0.074 0.436 107 R N -1.587 118.928 120.500 0.026 0.000 2.057 107 R HA -0.263 4.106 4.340 0.048 0.000 0.229 107 R C 1.967 178.323 176.300 0.093 0.000 1.136 107 R CA 3.792 59.920 56.100 0.046 0.000 0.952 107 R CB -0.650 29.656 30.300 0.010 0.000 0.848 107 R HN 0.142 8.398 8.270 -0.023 0.000 0.430 108 D N -1.774 118.704 120.400 0.129 0.000 2.182 108 D HA -0.250 4.471 4.640 0.135 0.000 0.201 108 D C 1.794 178.224 176.300 0.217 0.000 0.986 108 D CA 3.410 57.524 54.000 0.189 0.000 0.847 108 D CB -0.307 40.693 40.800 0.333 0.000 0.942 108 D HN 0.186 8.616 8.370 0.099 0.000 0.467 109 F N 0.589 120.592 119.950 0.088 0.000 2.128 109 F HA -0.278 4.378 4.527 0.215 0.000 0.295 109 F C 0.587 176.457 175.800 0.116 0.000 1.100 109 F CA 3.014 61.091 58.000 0.128 0.000 1.260 109 F CB 0.193 39.221 39.000 0.047 0.000 1.009 109 F HN -0.729 7.733 8.300 0.301 0.018 0.476 110 A N -0.887 122.019 122.820 0.143 0.000 1.908 110 A HA -0.400 3.890 4.320 -0.050 0.000 0.218 110 A C 2.123 179.689 177.584 -0.030 0.000 1.181 110 A CA 3.289 55.339 52.037 0.022 0.000 0.627 110 A CB -1.118 17.931 19.000 0.081 0.000 0.818 110 A HN 0.214 8.525 8.150 0.268 0.000 0.445 111 E N -1.810 118.397 120.200 0.012 0.000 2.110 111 E HA -0.334 4.023 4.350 0.012 0.000 0.193 111 E C 2.511 179.110 176.600 -0.001 0.000 0.988 111 E CA 3.404 59.812 56.400 0.013 0.000 0.804 111 E CB -0.084 29.635 29.700 0.031 0.000 0.745 111 E HN 0.074 8.453 8.360 0.047 0.009 0.458 112 M N -1.623 117.966 119.600 -0.019 0.000 2.254 112 M HA -0.119 4.359 4.480 -0.003 0.000 0.265 112 M C 2.522 178.843 176.300 0.035 0.000 1.066 112 M CA 1.621 56.914 55.300 -0.012 0.000 1.123 112 M CB -0.737 31.850 32.600 -0.023 0.000 1.388 112 M HN -0.730 7.447 8.290 -0.021 0.101 0.425 113 S N 0.698 116.363 115.700 -0.058 0.000 2.355 113 S HA -0.358 4.229 4.470 0.195 0.000 0.222 113 S C 2.100 176.717 174.600 0.028 0.000 1.031 113 S CA 3.517 61.681 58.200 -0.059 0.000 0.993 113 S CB -0.118 62.845 63.200 -0.394 0.000 0.859 113 S HN 0.064 8.166 8.310 -0.193 0.093 0.453 114 S N 2.373 118.083 115.700 0.017 0.000 2.382 114 S HA -0.405 4.140 4.470 0.124 0.000 0.228 114 S C 1.670 176.324 174.600 0.091 0.000 1.027 114 S CA 3.331 61.576 58.200 0.075 0.000 0.991 114 S CB -0.136 63.092 63.200 0.046 0.000 0.823 114 S HN -0.189 8.109 8.310 -0.019 0.000 0.469 115 Q N 1.613 121.449 119.800 0.060 0.000 2.077 115 Q HA -0.331 4.024 4.340 0.026 0.000 0.206 115 Q C 2.321 178.367 176.000 0.077 0.000 0.989 115 Q CA 3.239 59.070 55.803 0.047 0.000 0.853 115 Q CB -0.028 28.726 28.738 0.026 0.000 0.907 115 Q HN -0.791 7.495 8.270 0.044 0.011 0.418 116 L N -3.315 117.986 121.223 0.130 0.000 2.131 116 L HA -0.288 4.146 4.340 0.157 0.000 0.210 116 L C 1.589 178.581 176.870 0.203 0.000 1.092 116 L CA 2.935 57.882 54.840 0.179 0.000 0.759 116 L CB -0.737 41.483 42.059 0.268 0.000 0.903 116 L HN -0.835 7.478 8.230 0.138 0.000 0.435 117 H N -2.467 116.638 119.070 0.058 0.000 2.428 117 H HA -0.226 4.359 4.556 0.048 0.000 0.296 117 H C 1.629 176.960 175.328 0.004 0.000 1.062 117 H CA 1.679 57.746 56.048 0.032 0.000 1.350 117 H CB 0.584 30.353 29.762 0.012 0.000 1.403 117 H HN -1.018 7.273 8.280 0.239 0.132 0.533 118 L N -3.197 118.028 121.223 0.004 0.000 2.109 118 L HA -0.098 4.139 4.340 -0.172 0.000 0.207 118 L C 0.413 177.219 176.870 -0.107 0.000 1.086 118 L CA 1.250 56.033 54.840 -0.094 0.000 0.760 118 L CB 0.891 42.912 42.059 -0.063 0.000 0.910 118 L HN -0.543 7.597 8.230 0.067 0.130 0.437 119 T N -3.030 111.469 114.554 -0.092 0.000 2.903 119 T HA 0.072 4.249 4.350 -0.288 0.000 0.314 119 T C -0.753 173.812 174.700 -0.224 0.000 1.078 119 T CA -1.460 60.500 62.100 -0.234 0.000 1.114 119 T CB 0.163 68.866 68.868 -0.274 0.000 0.987 119 T HN -0.667 7.558 8.240 -0.026 0.000 0.548 120 P HA 0.053 4.412 4.420 -0.101 0.000 0.236 120 P C -0.523 176.738 177.300 -0.064 0.000 1.177 120 P CA 0.209 63.194 63.100 -0.191 0.000 0.773 120 P CB 0.113 31.691 31.700 -0.204 0.000 0.878 121 F N -0.039 119.929 119.950 0.030 0.000 2.682 121 F HA -0.184 4.358 4.527 0.025 0.000 0.328 121 F C 0.807 176.639 175.800 0.054 0.000 1.207 121 F CA -0.459 57.561 58.000 0.033 0.000 1.379 121 F CB -0.537 38.477 39.000 0.024 0.000 1.100 121 F HN -0.538 7.312 8.300 -0.668 0.049 0.621 122 T N -1.043 113.677 114.554 0.277 0.000 2.893 122 T HA 0.162 4.619 4.350 0.179 0.000 0.279 122 T C 0.577 175.390 174.700 0.188 0.000 0.991 122 T CA -1.781 60.434 62.100 0.191 0.000 0.950 122 T CB 0.740 69.701 68.868 0.154 0.000 1.223 122 T HN -0.286 8.120 8.240 0.277 0.000 0.585 123 A N 1.055 123.996 122.820 0.202 0.000 1.903 123 A HA -0.326 4.136 4.320 0.237 0.000 0.219 123 A C 2.103 179.817 177.584 0.216 0.000 1.191 123 A CA 3.877 56.069 52.037 0.258 0.000 0.638 123 A CB -0.646 18.546 19.000 0.321 0.000 0.823 123 A HN 0.466 8.732 8.150 0.194 0.000 0.451 124 R N -2.441 118.099 120.500 0.066 0.000 2.066 124 R HA -0.246 3.247 4.340 -1.412 0.000 0.232 124 R C 2.137 178.249 176.300 -0.313 0.000 1.131 124 R CA 3.178 58.932 56.100 -0.576 0.000 0.955 124 R CB -0.417 29.569 30.300 -0.523 0.000 0.851 124 R HN 0.226 8.612 8.270 0.195 0.000 0.432 125 G N -1.496 107.222 108.800 -0.137 0.000 2.491 125 G HA2 -0.373 3.396 3.960 -0.319 0.000 0.218 125 G HA3 -0.373 3.500 3.960 -0.145 0.000 0.218 125 G C 1.404 176.243 174.900 -0.102 0.000 1.180 125 G CA 1.864 46.850 45.100 -0.191 0.000 0.774 125 G HN -0.177 8.084 8.290 -0.049 0.000 0.562 126 R N 1.792 122.355 120.500 0.104 0.000 2.112 126 R HA -0.399 4.061 4.340 0.200 0.000 0.242 126 R C 2.254 178.621 176.300 0.113 0.000 1.137 126 R CA 3.124 59.330 56.100 0.176 0.000 0.944 126 R CB -0.382 30.079 30.300 0.268 0.000 0.857 126 R HN -0.015 8.348 8.270 0.155 0.000 0.435 127 F N -0.393 119.552 119.950 -0.009 0.000 2.154 127 F HA -0.349 4.192 4.527 0.023 0.000 0.301 127 F C 1.076 176.826 175.800 -0.085 0.000 1.087 127 F CA 2.818 60.808 58.000 -0.017 0.000 1.274 127 F CB -0.143 38.873 39.000 0.026 0.000 1.009 127 F HN -0.770 7.694 8.300 0.273 0.000 0.485 128 A N -2.565 120.168 122.820 -0.145 0.000 2.014 128 A HA -0.263 3.973 4.320 -0.140 0.000 0.218 128 A C 1.890 179.325 177.584 -0.250 0.000 1.163 128 A CA 2.816 54.737 52.037 -0.193 0.000 0.652 128 A CB -0.537 18.349 19.000 -0.189 0.000 0.808 128 A HN -0.119 7.870 8.150 -0.088 0.109 0.449 129 T N 0.666 115.081 114.554 -0.231 0.000 2.937 129 T HA -0.235 4.000 4.350 -0.192 0.000 0.260 129 T C 1.950 176.486 174.700 -0.274 0.000 1.051 129 T CA 3.888 65.870 62.100 -0.196 0.000 1.141 129 T CB 0.058 68.890 68.868 -0.060 0.000 0.879 129 T HN -0.285 7.698 8.240 -0.184 0.147 0.459 130 V N 2.999 122.681 119.914 -0.387 0.000 2.548 130 V HA -0.315 3.472 4.120 -0.556 0.000 0.249 130 V C 1.021 176.738 176.094 -0.628 0.000 1.055 130 V CA 3.509 65.434 62.300 -0.624 0.000 1.065 130 V CB 0.116 31.276 31.823 -1.104 0.000 0.681 130 V HN 0.428 8.422 8.190 -0.326 0.000 0.462 131 V N -0.254 119.282 119.914 -0.631 0.000 2.591 131 V HA -0.298 3.430 4.120 -0.653 0.000 0.249 131 V C 1.047 176.830 176.094 -0.518 0.000 1.053 131 V CA 2.618 64.530 62.300 -0.647 0.000 1.068 131 V CB -0.381 30.925 31.823 -0.860 0.000 0.689 131 V HN -0.306 7.511 8.190 -0.621 0.000 0.462 132 E N -0.031 119.935 120.200 -0.390 0.000 2.072 132 E HA -0.366 3.849 4.350 -0.224 0.000 0.190 132 E C 1.057 177.519 176.600 -0.230 0.000 0.982 132 E CA 3.198 59.447 56.400 -0.252 0.000 0.803 132 E CB -0.041 29.553 29.700 -0.178 0.000 0.755 132 E HN -0.734 7.395 8.360 -0.386 0.000 0.453 133 E N -2.334 117.709 120.200 -0.262 0.000 2.072 133 E HA -0.252 4.001 4.350 -0.162 0.000 0.191 133 E C 2.733 179.164 176.600 -0.282 0.000 0.985 133 E CA 2.595 58.860 56.400 -0.224 0.000 0.801 133 E CB 0.081 29.657 29.700 -0.208 0.000 0.750 133 E HN -0.784 7.401 8.360 -0.291 0.000 0.452 134 L N -0.440 120.516 121.223 -0.444 0.000 1.955 134 L HA -0.278 3.812 4.340 -0.417 0.000 0.213 134 L C 1.521 178.062 176.870 -0.547 0.000 1.072 134 L CA 2.940 57.420 54.840 -0.599 0.000 0.755 134 L CB 0.511 41.983 42.059 -0.979 0.000 0.888 134 L HN -0.663 7.273 8.230 -0.490 0.000 0.432 135 F N -4.768 115.039 119.950 -0.238 0.000 2.752 135 F HA 0.296 4.821 4.527 -0.263 -0.155 0.332 135 F C 0.160 175.835 175.800 -0.207 0.000 1.188 135 F CA -0.946 56.899 58.000 -0.258 0.000 1.296 135 F CB -2.376 36.434 39.000 -0.317 0.000 1.526 135 F HN -0.584 7.264 8.300 -0.752 0.000 0.576 136 R N -0.282 120.178 120.500 -0.067 0.000 2.142 136 R HA 0.061 4.381 4.340 -0.034 0.000 0.204 136 R C 0.608 176.877 176.300 -0.051 0.000 1.059 136 R CA 1.484 57.549 56.100 -0.057 0.000 1.055 136 R CB 1.227 31.480 30.300 -0.079 0.000 0.976 136 R HN -0.470 7.659 8.270 -0.114 0.073 0.483 137 D N -0.293 120.064 120.400 -0.072 0.000 2.587 137 D HA 0.113 4.720 4.640 -0.055 0.000 0.233 137 D C -1.225 175.005 176.300 -0.116 0.000 1.213 137 D CA -0.090 53.866 54.000 -0.074 0.000 0.827 137 D CB 0.403 41.163 40.800 -0.067 0.000 1.006 137 D HN -0.024 8.295 8.370 -0.084 0.000 0.490 138 G N -2.152 106.555 108.800 -0.155 0.000 2.396 138 G HA2 -0.224 3.506 3.960 -0.383 0.000 0.254 138 G HA3 -0.224 3.548 3.960 -0.313 0.000 0.254 138 G C -2.927 171.729 174.900 -0.406 0.000 1.248 138 G CA -0.693 44.213 45.100 -0.323 0.000 1.033 138 G HN -0.479 7.651 8.290 -0.111 0.093 0.502 139 V N -3.550 115.956 119.914 -0.681 0.000 3.114 139 V HA 0.289 4.254 4.120 -0.258 0.000 0.308 139 V C -2.241 173.526 176.094 -0.546 0.000 1.168 139 V CA -1.549 60.388 62.300 -0.605 0.000 1.015 139 V CB 3.244 34.453 31.823 -1.023 0.000 1.050 139 V HN -0.002 7.688 8.190 -0.833 0.000 0.433 140 N N 1.217 119.669 118.700 -0.413 0.000 3.265 140 N HA 0.080 4.368 4.740 -0.754 0.000 0.235 140 N C -0.477 174.796 175.510 -0.396 0.000 1.343 140 N CA -0.560 52.131 53.050 -0.600 0.000 0.904 140 N CB 2.775 40.863 38.487 -0.664 0.000 1.492 140 N HN -0.114 8.116 8.380 -0.249 0.000 0.504 141 W N 0.410 121.592 121.300 -0.196 0.000 2.313 141 W HA -0.238 4.160 4.660 -0.436 0.000 0.293 141 W C 0.989 177.537 176.519 0.048 0.000 1.216 141 W CA 2.500 59.679 57.345 -0.276 0.000 1.223 141 W CB -0.871 28.300 29.460 -0.482 0.000 1.138 141 W HN 0.541 7.958 8.180 -1.271 0.000 0.535 142 G N 0.503 109.440 108.800 0.228 0.000 2.434 142 G HA2 -0.431 3.642 3.960 0.189 0.000 0.214 142 G HA3 -0.431 3.585 3.960 0.093 0.000 0.214 142 G C 1.273 176.178 174.900 0.009 0.000 1.202 142 G CA 1.725 46.911 45.100 0.144 0.000 0.788 142 G HN -0.390 7.823 8.290 -0.073 0.033 0.539 143 R N 1.667 122.164 120.500 -0.005 0.000 2.105 143 R HA -0.281 3.999 4.340 -0.101 0.000 0.239 143 R C 2.502 178.921 176.300 0.198 0.000 1.135 143 R CA 2.175 58.286 56.100 0.019 0.000 0.967 143 R CB -0.668 29.678 30.300 0.076 0.000 0.861 143 R HN -0.734 7.507 8.270 -0.048 0.000 0.442 144 I N -0.148 120.622 120.570 0.333 0.000 2.226 144 I HA -0.462 4.107 4.170 0.666 0.000 0.245 144 I C 1.573 177.980 176.117 0.483 0.000 1.100 144 I CA 4.540 66.148 61.300 0.514 0.000 1.374 144 I CB -0.113 38.199 38.000 0.520 0.000 1.057 144 I HN 0.031 8.370 8.210 0.235 0.012 0.413 145 V N -0.880 119.182 119.914 0.247 0.000 2.594 145 V HA -0.447 3.698 4.120 0.042 0.000 0.253 145 V C 1.048 177.064 176.094 -0.131 0.000 1.069 145 V CA 4.166 66.486 62.300 0.033 0.000 1.082 145 V CB -0.338 31.438 31.823 -0.079 0.000 0.680 145 V HN -0.384 7.872 8.190 0.253 0.086 0.469 146 A N -0.706 121.952 122.820 -0.270 0.000 1.935 146 A HA -0.226 3.638 4.320 -0.759 0.000 0.214 146 A C 1.217 178.892 177.584 0.151 0.000 1.178 146 A CA 2.659 54.469 52.037 -0.379 0.000 0.640 146 A CB -0.864 17.873 19.000 -0.439 0.000 0.825 146 A HN -0.856 7.052 8.150 -0.159 0.146 0.447 147 F N 0.890 120.898 119.950 0.098 0.000 2.095 147 F HA -0.468 4.075 4.527 0.028 0.000 0.298 147 F C 1.300 177.271 175.800 0.285 0.000 1.104 147 F CA 3.910 61.999 58.000 0.147 0.000 1.232 147 F CB 0.187 39.330 39.000 0.237 0.000 0.987 147 F HN -0.122 8.303 8.300 0.355 0.089 0.475 148 F N -3.262 116.877 119.950 0.315 0.000 2.216 148 F HA -0.385 4.245 4.527 0.171 0.000 0.300 148 F C 1.978 177.947 175.800 0.282 0.000 1.085 148 F CA 4.111 62.254 58.000 0.238 0.000 1.326 148 F CB -0.461 38.593 39.000 0.091 0.000 1.027 148 F HN -0.339 8.502 8.300 0.901 0.000 0.497 149 E N 0.475 120.929 120.200 0.424 0.000 2.031 149 E HA -0.374 4.169 4.350 0.322 0.000 0.193 149 E C 2.092 178.918 176.600 0.376 0.000 0.994 149 E CA 2.540 59.136 56.400 0.326 0.000 0.800 149 E CB -0.682 29.150 29.700 0.221 0.000 0.752 149 E HN -0.549 7.918 8.360 0.379 0.120 0.447 150 F N -0.060 120.116 119.950 0.376 0.000 2.095 150 F HA -0.374 4.556 4.527 0.672 0.000 0.298 150 F C 1.622 177.540 175.800 0.198 0.000 1.104 150 F CA 3.747 61.980 58.000 0.388 0.000 1.232 150 F CB 0.111 39.236 39.000 0.208 0.000 0.987 150 F HN -0.041 8.623 8.300 0.606 0.000 0.475 151 G N -2.318 106.644 108.800 0.270 0.000 2.476 151 G HA2 -0.538 3.530 3.960 0.180 0.000 0.218 151 G HA3 -0.538 3.432 3.960 0.016 0.000 0.218 151 G C 1.254 176.220 174.900 0.111 0.000 1.164 151 G CA 2.318 47.499 45.100 0.135 0.000 0.768 151 G HN -0.181 8.211 8.290 0.171 0.000 0.560 152 G N 1.242 110.138 108.800 0.160 0.000 2.446 152 G HA2 -0.300 3.713 3.960 0.088 0.000 0.217 152 G HA3 -0.300 3.728 3.960 0.113 0.000 0.217 152 G C 1.403 176.308 174.900 0.008 0.000 1.168 152 G CA 1.774 46.932 45.100 0.096 0.000 0.771 152 G HN -0.457 7.974 8.290 0.234 0.000 0.551 153 V N 3.375 123.297 119.914 0.013 0.000 2.332 153 V HA -0.492 3.592 4.120 -0.060 0.000 0.248 153 V C 1.911 177.937 176.094 -0.113 0.000 1.055 153 V CA 4.179 66.446 62.300 -0.056 0.000 1.038 153 V CB -0.358 31.448 31.823 -0.028 0.000 0.651 153 V HN -0.428 7.810 8.190 0.080 0.000 0.450 154 M N -0.370 119.168 119.600 -0.104 0.000 2.144 154 M HA -0.344 4.078 4.480 -0.097 0.000 0.260 154 M C 1.875 178.144 176.300 -0.051 0.000 1.067 154 M CA 3.382 58.649 55.300 -0.056 0.000 1.095 154 M CB -0.463 32.181 32.600 0.074 0.000 1.365 154 M HN 0.195 8.438 8.290 -0.077 0.000 0.406 155 C N -1.625 117.638 119.300 -0.063 0.000 2.466 155 C HA -0.258 4.150 4.460 -0.086 0.000 0.278 155 C C 2.164 177.055 174.990 -0.165 0.000 1.288 155 C CA 3.644 62.598 59.018 -0.107 0.000 1.722 155 C CB -0.396 27.277 27.740 -0.111 0.000 2.017 155 C HN -0.474 7.613 8.230 -0.044 0.116 0.488 156 V N 1.013 120.831 119.914 -0.160 0.000 2.392 156 V HA -0.624 3.362 4.120 -0.223 0.000 0.249 156 V C 2.183 178.193 176.094 -0.140 0.000 1.059 156 V CA 4.764 66.961 62.300 -0.171 0.000 1.051 156 V CB -0.386 31.352 31.823 -0.141 0.000 0.658 156 V HN -0.167 7.864 8.190 -0.129 0.082 0.455 157 E N -0.605 119.522 120.200 -0.123 0.000 2.072 157 E HA -0.317 3.968 4.350 -0.110 0.000 0.190 157 E C 2.326 178.874 176.600 -0.087 0.000 0.982 157 E CA 3.105 59.438 56.400 -0.112 0.000 0.803 157 E CB -0.022 29.598 29.700 -0.134 0.000 0.755 157 E HN -0.289 7.985 8.360 -0.122 0.013 0.453 158 S N 0.828 116.482 115.700 -0.077 0.000 2.354 158 S HA -0.380 4.072 4.470 -0.029 0.000 0.219 158 S C 2.176 176.740 174.600 -0.059 0.000 1.035 158 S CA 3.273 61.443 58.200 -0.051 0.000 1.037 158 S CB -0.115 63.059 63.200 -0.043 0.000 0.956 158 S HN -0.709 7.477 8.310 -0.084 0.074 0.428 159 V N 1.255 121.109 119.914 -0.099 0.000 2.453 159 V HA -0.329 3.762 4.120 -0.048 0.000 0.252 159 V C 1.330 177.385 176.094 -0.065 0.000 1.068 159 V CA 2.555 64.801 62.300 -0.090 0.000 1.070 159 V CB -0.240 31.474 31.823 -0.182 0.000 0.664 159 V HN -0.294 7.813 8.190 -0.138 0.000 0.461 160 N N 0.036 118.691 118.700 -0.076 0.000 2.300 160 N HA -0.116 4.593 4.740 -0.051 0.000 0.179 160 N C 0.919 176.406 175.510 -0.038 0.000 1.016 160 N CA 1.850 54.865 53.050 -0.058 0.000 0.876 160 N CB 0.409 38.854 38.487 -0.069 0.000 0.979 160 N HN -0.708 7.499 8.380 -0.095 0.116 0.432 161 R N -1.252 119.227 120.500 -0.035 0.000 2.721 161 R HA 0.128 4.461 4.340 -0.012 0.000 0.296 161 R C -1.240 175.057 176.300 -0.006 0.000 1.174 161 R CA -0.795 55.295 56.100 -0.016 0.000 1.129 161 R CB -0.177 30.115 30.300 -0.013 0.000 1.316 161 R HN -0.361 7.648 8.270 -0.046 0.234 0.571 162 E N -2.802 117.393 120.200 -0.009 0.000 2.252 162 E HA -0.321 4.028 4.350 -0.001 0.000 0.218 162 E C -0.812 175.791 176.600 0.005 0.000 1.253 162 E CA 1.537 57.936 56.400 -0.000 0.000 0.705 162 E CB -1.794 27.908 29.700 0.004 0.000 1.172 162 E HN -0.080 8.170 8.360 -0.016 0.100 0.369 163 M N -1.514 118.087 119.600 0.000 0.000 3.637 163 M HA 0.129 4.618 4.480 0.014 0.000 0.452 163 M C -0.217 176.085 176.300 0.004 0.000 1.718 163 M CA -1.208 54.097 55.300 0.007 0.000 0.690 163 M CB 0.613 33.221 32.600 0.012 0.000 1.448 163 M HN -0.212 7.996 8.290 -0.010 0.076 0.524 164 S N 3.480 119.187 115.700 0.012 0.000 2.368 164 S HA -0.298 4.179 4.470 0.012 0.000 0.226 164 S C -0.227 174.400 174.600 0.045 0.000 1.044 164 S CA 4.802 63.023 58.200 0.036 0.000 1.062 164 S CB -2.496 60.747 63.200 0.072 0.000 0.931 164 S HN 0.343 8.661 8.310 0.013 0.000 0.440 165 P HA -0.193 4.249 4.420 0.037 0.000 0.218 165 P C 1.558 178.857 177.300 -0.002 0.000 1.150 165 P CA 2.818 65.933 63.100 0.024 0.000 0.841 165 P CB -0.449 31.261 31.700 0.016 0.000 0.784 166 L N -2.904 118.313 121.223 -0.010 0.000 2.127 166 L HA -0.320 3.976 4.340 -0.073 0.000 0.211 166 L C 1.494 178.313 176.870 -0.085 0.000 1.089 166 L CA 2.981 57.793 54.840 -0.047 0.000 0.757 166 L CB -0.197 41.859 42.059 -0.005 0.000 0.899 166 L HN -0.402 7.696 8.230 0.003 0.134 0.434 167 V N -1.082 118.818 119.914 -0.023 0.000 2.370 167 V HA -0.541 3.563 4.120 -0.027 0.000 0.252 167 V C 2.057 178.157 176.094 0.010 0.000 1.068 167 V CA 3.647 65.954 62.300 0.012 0.000 1.061 167 V CB -1.116 30.775 31.823 0.113 0.000 0.656 167 V HN 0.513 8.553 8.190 0.001 0.151 0.455 168 D N -1.582 118.819 120.400 0.001 0.000 2.144 168 D HA -0.216 4.447 4.640 0.038 0.000 0.200 168 D C 2.507 178.664 176.300 -0.239 0.000 0.978 168 D CA 3.228 57.204 54.000 -0.040 0.000 0.833 168 D CB -0.258 40.535 40.800 -0.013 0.000 0.961 168 D HN -0.398 7.863 8.370 0.015 0.117 0.470 169 N N 0.338 118.803 118.700 -0.392 0.000 2.080 169 N HA -0.191 4.071 4.740 -0.797 0.000 0.189 169 N C 2.422 177.190 175.510 -1.236 0.000 1.036 169 N CA 2.759 55.284 53.050 -0.876 0.000 0.846 169 N CB 0.022 37.957 38.487 -0.921 0.000 1.015 169 N HN -0.489 7.600 8.380 -0.282 0.122 0.423 170 I N -0.115 119.985 120.570 -0.783 0.000 2.208 170 I HA -0.541 3.442 4.170 -0.312 0.000 0.245 170 I C 1.250 177.178 176.117 -0.316 0.000 1.097 170 I CA 4.446 65.479 61.300 -0.445 0.000 1.363 170 I CB -0.196 37.692 38.000 -0.186 0.000 1.051 170 I HN -0.081 7.805 8.210 -0.539 0.000 0.413 171 A N -1.390 121.308 122.820 -0.202 0.000 1.972 171 A HA -0.227 4.091 4.320 -0.003 0.000 0.219 171 A C 1.964 179.502 177.584 -0.076 0.000 1.169 171 A CA 2.842 54.839 52.037 -0.067 0.000 0.635 171 A CB -0.616 18.386 19.000 0.003 0.000 0.810 171 A HN -0.318 7.709 8.150 -0.198 0.005 0.446 172 L N -1.927 119.173 121.223 -0.206 0.000 2.044 172 L HA -0.212 4.089 4.340 -0.065 0.000 0.205 172 L C 1.379 178.256 176.870 0.011 0.000 1.075 172 L CA 2.771 57.521 54.840 -0.149 0.000 0.747 172 L CB -0.338 41.556 42.059 -0.274 0.000 0.903 172 L HN -0.906 6.994 8.230 -0.341 0.125 0.435 173 W N -1.974 119.325 121.300 -0.001 0.000 2.333 173 W HA -0.436 4.284 4.660 0.099 0.000 0.316 173 W C 2.440 179.139 176.519 0.300 0.000 1.215 173 W CA 3.131 60.535 57.345 0.097 0.000 1.278 173 W CB -1.046 28.421 29.460 0.011 0.000 1.154 173 W HN 0.025 7.946 8.180 -0.431 0.000 0.486 174 M N -3.819 116.052 119.600 0.451 0.000 2.195 174 M HA -0.448 4.730 4.480 1.163 0.000 0.260 174 M C 2.334 178.904 176.300 0.450 0.000 1.066 174 M CA 4.360 60.033 55.300 0.622 0.000 1.089 174 M CB -0.387 32.404 32.600 0.318 0.000 1.377 174 M HN -0.176 8.206 8.290 0.153 0.000 0.411 175 T N 0.780 115.504 114.554 0.283 0.000 2.812 175 T HA -0.276 4.195 4.350 0.202 0.000 0.264 175 T C 2.021 176.831 174.700 0.183 0.000 1.042 175 T CA 4.463 66.681 62.100 0.197 0.000 1.140 175 T CB -0.367 68.568 68.868 0.111 0.000 0.870 175 T HN -0.760 7.477 8.240 0.232 0.142 0.445 176 E N 2.245 122.567 120.200 0.203 0.000 2.017 176 E HA -0.348 4.055 4.350 0.087 0.000 0.193 176 E C 2.699 179.409 176.600 0.182 0.000 0.997 176 E CA 3.385 59.871 56.400 0.143 0.000 0.804 176 E CB -0.090 29.680 29.700 0.117 0.000 0.757 176 E HN -0.443 7.974 8.360 0.239 0.086 0.448 177 Y N -0.338 120.106 120.300 0.240 0.000 2.102 177 Y HA -0.328 4.344 4.550 0.204 0.000 0.280 177 Y C 2.818 178.778 175.900 0.099 0.000 1.178 177 Y CA 3.217 61.428 58.100 0.185 0.000 1.146 177 Y CB -0.208 38.373 38.460 0.201 0.000 0.968 177 Y HN -0.009 8.506 8.280 0.391 0.000 0.504 178 L N -3.175 118.201 121.223 0.256 0.000 2.187 178 L HA -0.370 4.000 4.340 0.050 0.000 0.213 178 L C 0.339 177.279 176.870 0.117 0.000 1.100 178 L CA 2.317 57.235 54.840 0.131 0.000 0.765 178 L CB -0.150 42.005 42.059 0.160 0.000 0.904 178 L HN -0.654 7.775 8.230 0.331 0.000 0.437 179 N N -5.334 113.414 118.700 0.079 0.000 2.321 179 N HA 0.046 4.677 4.740 -0.182 0.000 0.242 179 N C -0.661 174.834 175.510 -0.025 0.000 1.141 179 N CA -0.384 52.621 53.050 -0.074 0.000 0.864 179 N CB 0.521 38.930 38.487 -0.129 0.000 1.100 179 N HN -0.415 7.882 8.380 0.123 0.157 0.510 180 R N -2.304 118.257 120.500 0.103 0.000 2.470 180 R HA 0.128 4.492 4.340 0.040 0.000 0.312 180 R C -1.393 175.018 176.300 0.184 0.000 0.760 180 R CA 0.408 56.568 56.100 0.100 0.000 0.970 180 R CB 0.078 30.422 30.300 0.073 0.000 1.480 180 R HN -0.273 7.926 8.270 0.172 0.174 0.586 181 H N -2.421 116.727 119.070 0.131 0.000 1.779 181 H HA 0.020 4.654 4.556 0.130 0.000 0.120 181 H C -0.385 175.002 175.328 0.099 0.000 1.175 181 H CA 1.739 57.860 56.048 0.122 0.000 0.715 181 H CB 2.270 32.125 29.762 0.154 0.000 0.418 181 H HN -0.179 8.233 8.280 0.219 0.000 0.229 182 L N -1.545 119.775 121.223 0.163 0.000 2.653 182 L HA 0.124 4.578 4.340 0.190 0.000 0.231 182 L C 0.001 176.961 176.870 0.150 0.000 1.153 182 L CA -0.313 54.578 54.840 0.085 0.000 0.933 182 L CB 0.013 41.980 42.059 -0.153 0.000 1.175 182 L HN -0.777 7.548 8.230 0.159 0.000 0.473 183 H N 0.445 119.537 119.070 0.037 0.000 2.436 183 H HA -0.138 4.395 4.556 -0.039 0.000 0.294 183 H C 1.545 176.851 175.328 -0.037 0.000 1.048 183 H CA 3.453 59.492 56.048 -0.016 0.000 1.353 183 H CB 0.424 30.172 29.762 -0.024 0.000 1.414 183 H HN 0.227 8.566 8.280 0.234 0.081 0.536 184 T N -0.593 113.916 114.554 -0.075 0.000 2.852 184 T HA -0.257 3.931 4.350 -0.270 0.000 0.256 184 T C 1.885 176.441 174.700 -0.240 0.000 1.038 184 T CA 2.922 64.879 62.100 -0.238 0.000 1.141 184 T CB -0.008 68.662 68.868 -0.330 0.000 0.869 184 T HN -0.416 7.843 8.240 0.031 0.000 0.439 185 W N 0.868 122.097 121.300 -0.118 0.000 2.353 185 W HA -0.335 4.257 4.660 -0.113 0.000 0.319 185 W C 2.032 178.493 176.519 -0.097 0.000 1.207 185 W CA 3.057 60.331 57.345 -0.118 0.000 1.291 185 W CB -0.257 29.114 29.460 -0.148 0.000 1.159 185 W HN -0.469 7.732 8.180 0.035 0.000 0.478 186 I N -2.060 118.615 120.570 0.175 0.000 2.068 186 I HA -0.719 3.573 4.170 0.203 0.000 0.238 186 I C 1.879 178.027 176.117 0.052 0.000 1.046 186 I CA 4.327 65.717 61.300 0.149 0.000 1.306 186 I CB -0.450 37.640 38.000 0.151 0.000 1.023 186 I HN -0.641 7.688 8.210 0.199 0.000 0.399 187 Q N -2.095 117.656 119.800 -0.082 0.000 2.248 187 Q HA -0.393 3.889 4.340 -0.096 0.000 0.208 187 Q C 2.482 178.440 176.000 -0.069 0.000 0.984 187 Q CA 3.036 58.765 55.803 -0.122 0.000 0.875 187 Q CB -0.323 28.266 28.738 -0.248 0.000 0.910 187 Q HN -0.343 7.837 8.270 -0.150 0.000 0.433 188 D N -1.406 118.957 120.400 -0.061 0.000 2.194 188 D HA -0.120 4.480 4.640 -0.067 0.000 0.204 188 D C 1.584 177.893 176.300 0.015 0.000 0.964 188 D CA 2.150 56.120 54.000 -0.049 0.000 0.846 188 D CB 0.309 41.052 40.800 -0.096 0.000 0.962 188 D HN -0.593 7.593 8.370 -0.064 0.146 0.490 189 N N -0.333 118.403 118.700 0.060 0.000 2.994 189 N HA 0.091 4.888 4.740 0.095 0.000 0.306 189 N C -0.248 175.323 175.510 0.102 0.000 1.348 189 N CA -1.064 52.045 53.050 0.099 0.000 1.109 189 N CB -1.146 37.410 38.487 0.116 0.000 1.415 189 N HN -0.217 8.091 8.380 0.068 0.113 0.529 190 G N -2.274 106.562 108.800 0.060 0.000 2.187 190 G HA2 -0.439 3.538 3.960 0.029 0.000 0.261 190 G HA3 -0.439 3.551 3.960 0.049 0.000 0.261 190 G C 0.351 175.288 174.900 0.061 0.000 1.000 190 G CA 0.367 45.496 45.100 0.048 0.000 0.718 190 G HN -0.606 7.623 8.290 0.039 0.085 0.519 191 G N -0.760 108.089 108.800 0.082 0.000 2.606 191 G HA2 -0.454 3.618 3.960 0.167 0.000 0.285 191 G HA3 -0.454 3.511 3.960 0.009 0.000 0.285 191 G C -0.281 174.810 174.900 0.318 0.000 1.311 191 G CA -0.222 44.956 45.100 0.130 0.000 0.922 191 G HN -0.196 8.080 8.290 0.069 0.054 0.559 192 W N 1.119 122.304 121.300 -0.191 0.000 2.325 192 W HA -0.432 4.311 4.660 0.139 0.000 0.299 192 W C 1.285 177.738 176.519 -0.110 0.000 1.215 192 W CA 2.883 60.142 57.345 -0.144 0.000 1.244 192 W CB 0.012 29.204 29.460 -0.446 0.000 1.140 192 W HN 0.373 8.649 8.180 0.160 0.000 0.523 193 D N -2.011 118.404 120.400 0.024 0.000 2.149 193 D HA -0.385 4.312 4.640 0.096 0.000 0.194 193 D C 1.741 178.070 176.300 0.048 0.000 1.001 193 D CA 3.823 57.855 54.000 0.053 0.000 0.849 193 D CB -0.473 40.358 40.800 0.050 0.000 0.939 193 D HN 0.078 8.370 8.370 -0.103 0.017 0.449 194 A N -1.822 121.028 122.820 0.049 0.000 1.930 194 A HA -0.165 4.130 4.320 -0.041 0.000 0.215 194 A C 1.545 179.105 177.584 -0.039 0.000 1.176 194 A CA 2.427 54.457 52.037 -0.011 0.000 0.632 194 A CB -0.355 18.647 19.000 0.003 0.000 0.819 194 A HN -0.508 7.581 8.150 0.078 0.107 0.445 195 F N -0.056 119.818 119.950 -0.125 0.000 2.126 195 F HA -0.341 4.058 4.527 -0.212 0.000 0.299 195 F C 1.619 177.264 175.800 -0.260 0.000 1.096 195 F CA 2.135 59.993 58.000 -0.236 0.000 1.255 195 F CB 0.078 38.811 39.000 -0.445 0.000 0.997 195 F HN -0.724 7.591 8.300 0.172 0.088 0.479 196 V N -3.431 116.488 119.914 0.008 0.000 2.591 196 V HA -0.479 3.586 4.120 -0.092 0.000 0.249 196 V C 1.960 178.014 176.094 -0.066 0.000 1.053 196 V CA 3.686 65.952 62.300 -0.056 0.000 1.068 196 V CB -0.545 31.261 31.823 -0.029 0.000 0.689 196 V HN 0.039 8.247 8.190 0.031 0.000 0.462 197 E N -0.533 119.623 120.200 -0.074 0.000 2.153 197 E HA -0.323 3.982 4.350 -0.076 0.000 0.194 197 E C 2.132 178.610 176.600 -0.204 0.000 0.988 197 E CA 2.748 59.083 56.400 -0.108 0.000 0.811 197 E CB -0.005 29.640 29.700 -0.092 0.000 0.746 197 E HN -0.706 7.539 8.360 -0.046 0.087 0.466 198 L N -1.419 119.606 121.223 -0.331 0.000 2.004 198 L HA -0.123 3.892 4.340 -0.541 0.000 0.205 198 L C 1.621 178.131 176.870 -0.600 0.000 1.089 198 L CA 2.810 57.269 54.840 -0.634 0.000 0.756 198 L CB 1.212 42.617 42.059 -1.089 0.000 0.900 198 L HN -0.489 7.556 8.230 -0.278 0.018 0.440 199 Y N -2.723 117.496 120.300 -0.134 0.000 2.850 199 Y HA 0.133 4.623 4.550 -0.099 0.000 0.360 199 Y C -0.557 175.277 175.900 -0.112 0.000 1.174 199 Y CA -1.563 56.472 58.100 -0.107 0.000 1.373 199 Y CB -1.770 36.636 38.460 -0.090 0.000 1.487 199 Y HN -0.736 7.338 8.280 -0.343 0.000 0.553 200 G N 0.356 109.149 108.800 -0.013 0.000 2.417 200 G HA2 0.343 4.271 3.960 -0.053 0.000 0.334 200 G HA3 0.343 4.415 3.960 -0.045 -0.139 0.334 200 G C -2.420 172.463 174.900 -0.028 0.000 1.150 200 G CA -2.148 42.930 45.100 -0.036 0.000 0.923 200 G HN -0.643 7.573 8.290 -0.047 0.046 0.485 201 P HA 0.000 4.398 4.420 -0.037 0.000 0.216 201 P CA 0.000 63.079 63.100 -0.036 0.000 0.800 201 P CB 0.000 31.674 31.700 -0.044 0.000 0.726