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 1jbj_12_A DATA FIRST_RESID 1 DATA SEQUENCE DDAENIEYKV SISGTSVELT cPLDSDENLK WEKNGQELPQ KHDKHLVLQD DATA SEQUENCE FSEVEDSGYY VcYTPASNKN TYLYLKARVG SADDAKKDAA KKDDAKKDDA DATA SEQUENCE KKDGSQTNKA KNLVQVDGSR GDGSVLLTcG LTDKTIKWLK DGSIISPLNA DATA SEQUENCE TKNTWNLGNN AKDPRGTYQc QGAKETSNPL QVYYRM 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 4.638 4.640 -0.004 0.000 0.175 1 D C 0.000 176.298 176.300 -0.003 0.000 2.045 1 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 1 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 2 D N 0.727 121.125 120.400 -0.003 0.000 2.914 2 D HA 0.312 4.950 4.640 -0.003 0.000 0.236 2 D C -1.098 175.200 176.300 -0.003 0.000 1.405 2 D CA 0.402 54.401 54.000 -0.002 0.000 0.900 2 D CB 0.629 41.428 40.800 -0.001 0.000 1.518 2 D HN 0.166 8.534 8.370 -0.004 0.000 0.548 3 A N 2.323 125.140 122.820 -0.005 0.000 2.433 3 A HA -0.269 4.046 4.320 -0.008 0.000 0.685 3 A C -1.146 176.433 177.584 -0.008 0.000 0.139 3 A CA 0.492 52.525 52.037 -0.006 0.000 0.035 3 A CB 0.273 19.271 19.000 -0.004 0.000 3.969 3 A HN -0.067 8.080 8.150 -0.005 0.000 0.547 4 E N 0.647 120.840 120.200 -0.013 0.000 2.338 4 E HA -0.100 4.239 4.350 -0.018 0.000 0.272 4 E C -0.907 175.685 176.600 -0.015 0.000 1.029 4 E CA -0.213 56.176 56.400 -0.018 0.000 0.872 4 E CB 0.522 30.204 29.700 -0.029 0.000 1.015 4 E HN 0.260 8.612 8.360 -0.013 0.000 0.417 5 N N 1.233 119.925 118.700 -0.013 0.000 2.776 5 N HA 0.187 4.926 4.740 -0.002 0.000 0.215 5 N C -1.583 173.928 175.510 0.001 0.000 1.347 5 N CA 0.070 53.118 53.050 -0.003 0.000 1.323 5 N CB 0.587 39.076 38.487 0.004 0.000 1.547 5 N HN 0.135 8.505 8.380 -0.017 0.000 0.582 6 I N 0.477 121.039 120.570 -0.012 0.000 3.205 6 I HA 0.308 4.481 4.170 0.005 0.000 0.310 6 I C -0.365 175.757 176.117 0.008 0.000 1.089 6 I CA -2.582 58.713 61.300 -0.008 0.000 1.023 6 I CB 0.931 38.914 38.000 -0.029 0.000 1.269 6 I HN -0.210 7.983 8.210 -0.029 0.000 0.512 7 E N -1.125 119.091 120.200 0.027 0.000 2.232 7 E HA 0.108 4.556 4.350 0.164 0.000 0.265 7 E C -0.931 175.718 176.600 0.081 0.000 1.001 7 E CA -2.069 54.389 56.400 0.097 0.000 0.870 7 E CB 1.043 30.795 29.700 0.087 0.000 1.175 7 E HN -0.218 8.152 8.360 0.016 0.000 0.407 8 Y N -0.706 119.572 120.300 -0.036 0.000 2.425 8 Y HA -0.024 4.756 4.550 -0.020 -0.242 0.331 8 Y C 0.872 176.715 175.900 -0.095 0.000 1.157 8 Y CA 1.029 59.102 58.100 -0.045 0.000 1.372 8 Y CB 0.640 39.078 38.460 -0.036 0.000 1.253 8 Y HN -0.359 8.417 8.280 0.504 -0.193 0.536 9 K N 3.893 124.299 120.400 0.010 0.000 2.358 9 K HA 0.331 4.593 4.320 -0.097 0.000 0.260 9 K C -1.735 174.803 176.600 -0.103 0.000 0.956 9 K CA -0.887 55.362 56.287 -0.062 0.000 0.834 9 K CB 2.262 34.738 32.500 -0.040 0.000 1.102 9 K HN -0.087 8.162 8.250 -0.003 0.000 0.431 10 V N 4.220 123.998 119.914 -0.226 0.000 2.581 10 V HA 0.508 4.772 4.120 -0.138 -0.227 0.303 10 V C -0.521 175.537 176.094 -0.059 0.000 1.041 10 V CA -1.548 60.631 62.300 -0.201 0.000 0.907 10 V CB 2.305 33.900 31.823 -0.381 0.000 0.994 10 V HN 0.389 8.387 8.190 -0.320 0.000 0.442 11 S N 4.455 120.136 115.700 -0.032 0.000 2.689 11 S HA 0.273 4.782 4.470 0.064 0.000 0.274 11 S C -1.542 173.055 174.600 -0.006 0.000 1.176 11 S CA -0.405 57.801 58.200 0.010 0.000 1.014 11 S CB 2.383 65.577 63.200 -0.010 0.000 1.071 11 S HN -0.042 8.126 8.310 -0.070 0.100 0.478 12 I N 5.847 126.436 120.570 0.031 0.000 2.396 12 I HA 0.078 4.435 4.170 -0.014 -0.195 0.289 12 I C -0.225 175.900 176.117 0.012 0.000 1.056 12 I CA -0.030 61.282 61.300 0.020 0.000 1.365 12 I CB 0.713 38.751 38.000 0.064 0.000 1.407 12 I HN 0.308 8.559 8.210 0.068 0.000 0.509 13 S N 8.764 124.461 115.700 -0.006 0.000 2.669 13 S HA 0.187 4.658 4.470 0.001 0.000 0.315 13 S C -0.246 174.353 174.600 -0.002 0.000 1.106 13 S CA -0.925 57.271 58.200 -0.007 0.000 1.107 13 S CB 1.082 64.269 63.200 -0.023 0.000 0.990 13 S HN 1.120 9.297 8.310 -0.019 0.121 0.471 14 G N 7.693 116.497 108.800 0.008 0.000 2.359 14 G HA2 -0.292 3.676 3.960 0.014 0.000 0.298 14 G HA3 -0.292 3.671 3.960 0.004 0.000 0.298 14 G C -0.578 174.332 174.900 0.017 0.000 1.030 14 G CA 0.449 45.555 45.100 0.010 0.000 1.149 14 G HN 0.614 8.911 8.290 0.011 0.000 0.512 15 T N -6.263 108.310 114.554 0.032 0.000 7.366 15 T HA -0.422 3.969 4.350 0.068 0.000 0.298 15 T C -1.200 173.530 174.700 0.050 0.000 2.046 15 T CA 1.370 63.500 62.100 0.050 0.000 3.126 15 T CB -0.528 68.367 68.868 0.044 0.000 2.130 15 T HN 0.219 8.480 8.240 0.034 0.000 1.215 16 S N 0.726 116.437 115.700 0.018 0.000 2.478 16 S HA 0.534 5.145 4.470 -0.004 -0.144 0.312 16 S C -0.955 173.613 174.600 -0.053 0.000 1.094 16 S CA -1.007 57.183 58.200 -0.016 0.000 1.081 16 S CB 2.698 65.879 63.200 -0.031 0.000 1.007 16 S HN -0.784 7.326 8.310 0.013 0.208 0.475 17 V N 5.226 125.065 119.914 -0.125 0.000 2.686 17 V HA -0.041 4.004 4.120 -0.125 0.000 0.295 17 V C -0.691 175.277 176.094 -0.211 0.000 1.057 17 V CA 0.002 62.178 62.300 -0.205 0.000 1.012 17 V CB 1.068 32.612 31.823 -0.465 0.000 1.006 17 V HN 1.148 9.138 8.190 -0.132 0.121 0.477 18 E N 5.234 125.330 120.200 -0.173 0.000 2.373 18 E HA 0.414 4.789 4.350 -0.188 -0.138 0.251 18 E C -0.965 175.555 176.600 -0.133 0.000 0.923 18 E CA -0.846 55.462 56.400 -0.154 0.000 0.798 18 E CB 1.707 31.342 29.700 -0.109 0.000 1.303 18 E HN -0.003 8.186 8.360 -0.143 0.085 0.412 19 L N 6.153 127.283 121.223 -0.156 0.000 2.357 19 L HA 0.578 5.083 4.340 -0.054 -0.197 0.273 19 L C -0.193 176.712 176.870 0.059 0.000 1.080 19 L CA -0.712 54.100 54.840 -0.047 0.000 0.803 19 L CB 1.592 43.649 42.059 -0.004 0.000 1.174 19 L HN 1.121 9.106 8.230 -0.243 0.100 0.443 20 T N 1.515 116.116 114.554 0.078 0.000 2.791 20 T HA 0.244 4.680 4.350 0.145 0.000 0.288 20 T C -1.602 173.028 174.700 -0.117 0.000 0.999 20 T CA -1.019 61.114 62.100 0.054 0.000 0.952 20 T CB 0.154 69.025 68.868 0.004 0.000 0.938 20 T HN 0.100 8.354 8.240 0.063 0.024 0.444 21 c N 7.161 125.704 118.600 -0.094 0.000 2.527 21 c HA 0.439 4.341 4.570 -1.113 0.000 0.396 21 c C -1.115 172.724 174.090 -0.419 0.000 1.289 21 c CA -2.566 53.477 56.329 -0.476 0.000 2.047 21 c CB 1.808 44.161 42.510 -0.262 0.000 2.568 21 c HN 1.070 9.240 8.230 0.104 0.122 0.573 22 P HA -0.094 4.200 4.420 -0.210 0.000 0.239 22 P C -1.868 175.326 177.300 -0.177 0.000 1.184 22 P CA 0.399 63.329 63.100 -0.283 0.000 0.760 22 P CB -0.533 31.025 31.700 -0.236 0.000 0.884 23 L N -0.285 120.823 121.223 -0.191 0.000 2.356 23 L HA 0.306 4.748 4.340 -0.090 -0.156 0.277 23 L C -0.872 175.943 176.870 -0.091 0.000 0.996 23 L CA -1.893 52.874 54.840 -0.122 0.000 0.822 23 L CB 3.082 45.065 42.059 -0.126 0.000 1.256 23 L HN -0.928 7.040 8.230 -0.262 0.106 0.413 24 D N 1.530 121.895 120.400 -0.057 0.000 2.341 24 D HA -0.198 4.422 4.640 -0.033 0.000 0.233 24 D C -0.076 176.200 176.300 -0.040 0.000 1.270 24 D CA 0.493 54.470 54.000 -0.039 0.000 0.883 24 D CB 0.501 41.286 40.800 -0.025 0.000 1.207 24 D HN 0.100 8.439 8.370 -0.051 0.000 0.471 25 S N -1.645 114.033 115.700 -0.036 0.000 2.592 25 S HA -0.012 4.452 4.470 -0.010 0.000 0.305 25 S C -0.975 173.618 174.600 -0.012 0.000 1.118 25 S CA -0.673 57.512 58.200 -0.025 0.000 1.075 25 S CB -0.101 63.065 63.200 -0.056 0.000 1.107 25 S HN 0.052 8.342 8.310 -0.033 0.000 0.503 26 D N 6.986 127.385 120.400 -0.002 0.000 2.387 26 D HA 0.055 4.684 4.640 -0.018 0.000 0.251 26 D C -0.334 175.965 176.300 -0.001 0.000 1.141 26 D CA -0.186 53.811 54.000 -0.006 0.000 0.987 26 D CB 1.575 42.375 40.800 -0.001 0.000 1.116 26 D HN -0.153 8.218 8.370 0.001 0.000 0.491 27 E N -0.898 119.287 120.200 -0.024 0.000 2.322 27 E HA -0.093 4.198 4.350 -0.099 0.000 0.195 27 E C -0.962 175.646 176.600 0.013 0.000 1.198 27 E CA 0.888 57.262 56.400 -0.044 0.000 1.132 27 E CB -0.849 28.814 29.700 -0.061 0.000 1.213 27 E HN 0.372 8.717 8.360 -0.025 0.000 0.450 28 N N -3.421 115.307 118.700 0.047 0.000 2.194 28 N HA 0.032 4.818 4.740 0.078 0.000 0.233 28 N C -1.501 174.049 175.510 0.067 0.000 1.392 28 N CA 0.031 53.118 53.050 0.063 0.000 0.790 28 N CB 1.811 40.326 38.487 0.046 0.000 1.291 28 N HN -0.665 7.589 8.380 0.045 0.153 0.518 29 L N 2.536 123.802 121.223 0.072 0.000 2.371 29 L HA 0.187 4.665 4.340 -0.010 -0.144 0.272 29 L C -1.286 175.596 176.870 0.020 0.000 1.124 29 L CA 0.227 55.083 54.840 0.026 0.000 0.816 29 L CB 1.481 43.559 42.059 0.031 0.000 1.129 29 L HN -0.698 7.592 8.230 0.099 0.000 0.448 30 K N 3.541 123.866 120.400 -0.125 0.000 2.509 30 K HA 0.484 4.984 4.320 0.057 -0.146 0.266 30 K C -1.892 174.533 176.600 -0.290 0.000 0.987 30 K CA -0.695 55.523 56.287 -0.116 0.000 0.868 30 K CB 4.608 37.038 32.500 -0.118 0.000 1.421 30 K HN -0.082 8.010 8.250 -0.262 0.000 0.444 31 W N -1.490 119.642 121.300 -0.279 0.000 2.762 31 W HA 0.794 5.476 4.660 -0.272 -0.185 0.355 31 W C -0.544 175.912 176.519 -0.104 0.000 1.124 31 W CA -1.498 55.731 57.345 -0.193 0.000 1.141 31 W CB 3.998 33.427 29.460 -0.052 0.000 1.432 31 W HN -0.176 8.114 8.180 0.184 0.000 0.586 32 E N -0.742 119.608 120.200 0.249 0.000 2.343 32 E HA 0.242 4.778 4.350 0.176 -0.081 0.286 32 E C -2.529 174.164 176.600 0.155 0.000 0.915 32 E CA -0.644 55.868 56.400 0.187 0.000 0.784 32 E CB 3.927 33.733 29.700 0.178 0.000 1.251 32 E HN 0.363 8.921 8.360 0.331 0.000 0.407 33 K N 5.910 126.325 120.400 0.025 0.000 2.098 33 K HA 0.341 4.555 4.320 -0.471 -0.177 0.258 33 K C 0.298 176.775 176.600 -0.204 0.000 0.973 33 K CA -1.611 54.508 56.287 -0.280 0.000 0.898 33 K CB 1.896 34.160 32.500 -0.394 0.000 1.057 33 K HN -0.167 8.118 8.250 0.060 0.000 0.447 34 N N 5.092 123.598 118.700 -0.323 0.000 2.247 34 N HA -0.296 4.383 4.740 -0.101 0.000 0.189 34 N C 0.214 175.598 175.510 -0.211 0.000 1.009 34 N CA 2.651 55.527 53.050 -0.290 0.000 0.872 34 N CB 0.022 38.042 38.487 -0.780 0.000 0.980 34 N HN 0.382 8.473 8.380 -0.482 0.000 0.436 35 G N -2.512 106.160 108.800 -0.213 0.000 2.557 35 G HA2 0.002 3.890 3.960 -0.119 0.000 0.213 35 G HA3 0.002 3.885 3.960 -0.128 0.000 0.213 35 G C -1.550 173.311 174.900 -0.065 0.000 1.221 35 G CA 0.128 45.151 45.100 -0.129 0.000 0.832 35 G HN 0.115 8.204 8.290 -0.274 0.036 0.556 36 Q N -0.731 119.040 119.800 -0.049 0.000 2.423 36 Q HA 0.270 4.612 4.340 0.002 0.000 0.278 36 Q C -1.214 174.800 176.000 0.023 0.000 1.097 36 Q CA -2.086 53.714 55.803 -0.005 0.000 0.809 36 Q CB 2.653 31.393 28.738 0.003 0.000 1.391 36 Q HN -0.371 7.856 8.270 -0.072 0.000 0.428 37 E N 0.549 120.779 120.200 0.050 0.000 2.373 37 E HA 0.045 4.456 4.350 0.102 0.000 0.267 37 E C -1.211 175.440 176.600 0.084 0.000 1.032 37 E CA -0.116 56.335 56.400 0.085 0.000 0.889 37 E CB 0.318 30.078 29.700 0.100 0.000 0.984 37 E HN 0.241 8.628 8.360 0.045 0.000 0.425 38 L N 2.389 123.682 121.223 0.116 0.000 2.301 38 L HA 0.533 4.911 4.340 0.064 0.000 0.278 38 L C -1.732 175.181 176.870 0.072 0.000 1.022 38 L CA -3.196 51.700 54.840 0.094 0.000 0.854 38 L CB 0.212 42.346 42.059 0.125 0.000 1.226 38 L HN -0.143 8.177 8.230 0.150 0.000 0.429 39 P HA 0.200 4.643 4.420 0.038 0.000 0.282 39 P C -0.619 176.671 177.300 -0.018 0.000 1.287 39 P CA -0.679 62.436 63.100 0.026 0.000 0.792 39 P CB 1.147 32.865 31.700 0.030 0.000 1.163 40 Q N -5.908 113.877 119.800 -0.026 0.000 2.480 40 Q HA -0.359 3.951 4.340 -0.050 0.000 0.265 40 Q C -0.910 174.939 176.000 -0.252 0.000 1.072 40 Q CA 1.397 57.141 55.803 -0.097 0.000 1.018 40 Q CB -1.122 27.568 28.738 -0.081 0.000 1.433 40 Q HN 0.382 8.657 8.270 0.008 0.000 0.513 41 K N -1.634 118.676 120.400 -0.150 0.000 2.598 41 K HA 0.216 4.348 4.320 -0.314 0.000 0.226 41 K C -0.499 176.073 176.600 -0.048 0.000 1.156 41 K CA -1.735 54.459 56.287 -0.155 0.000 1.122 41 K CB -1.900 30.608 32.500 0.013 0.000 1.739 41 K HN 0.143 8.333 8.250 -0.049 0.030 0.472 42 H N -0.883 118.197 119.070 0.017 0.000 2.813 42 H HA 0.274 4.927 4.556 0.023 -0.083 0.312 42 H C -0.996 174.317 175.328 -0.025 0.000 1.228 42 H CA -2.358 53.694 56.048 0.006 0.000 1.154 42 H CB -1.647 28.110 29.762 -0.008 0.000 1.418 42 H HN -0.277 7.403 8.280 -0.922 0.047 0.525 43 D N -0.594 119.853 120.400 0.079 0.000 2.575 43 D HA 0.152 4.767 4.640 -0.043 0.000 0.236 43 D C -0.540 175.753 176.300 -0.011 0.000 1.075 43 D CA -1.195 52.779 54.000 -0.043 0.000 0.860 43 D CB 3.258 43.956 40.800 -0.169 0.000 1.475 43 D HN -0.770 7.531 8.370 0.064 0.106 0.474 44 K N 2.773 123.038 120.400 -0.225 0.000 2.116 44 K HA -0.151 4.191 4.320 0.037 0.000 0.203 44 K C -0.460 176.145 176.600 0.008 0.000 1.052 44 K CA 2.266 58.494 56.287 -0.099 0.000 0.952 44 K CB 0.905 33.331 32.500 -0.124 0.000 0.729 44 K HN 0.514 8.512 8.250 -0.420 0.000 0.446 45 H N -2.884 116.223 119.070 0.062 0.000 2.581 45 H HA 0.469 5.206 4.556 0.044 -0.155 0.308 45 H C -0.862 174.354 175.328 -0.186 0.000 1.040 45 H CA -2.295 53.742 56.048 -0.018 0.000 1.231 45 H CB -0.097 29.633 29.762 -0.053 0.000 1.396 45 H HN -0.768 6.960 8.280 -1.172 -0.152 0.467 46 L N 5.031 126.050 121.223 -0.341 0.000 2.305 46 L HA 0.227 4.185 4.340 -0.637 0.000 0.281 46 L C -1.850 174.729 176.870 -0.485 0.000 1.085 46 L CA -0.443 53.949 54.840 -0.746 0.000 0.813 46 L CB 1.833 42.819 42.059 -1.789 0.000 1.157 46 L HN -0.070 8.037 8.230 -0.205 0.000 0.436 47 V N 5.908 125.593 119.914 -0.382 0.000 2.547 47 V HA 0.493 4.616 4.120 -0.272 -0.167 0.299 47 V C -0.461 175.453 176.094 -0.299 0.000 1.040 47 V CA -1.062 61.070 62.300 -0.280 0.000 0.913 47 V CB 1.883 33.604 31.823 -0.170 0.000 0.992 47 V HN 0.240 8.202 8.190 -0.380 0.000 0.449 48 L N 6.984 128.035 121.223 -0.286 0.000 2.384 48 L HA 0.425 4.653 4.340 -0.187 0.000 0.261 48 L C -1.029 175.774 176.870 -0.112 0.000 1.024 48 L CA -1.420 53.279 54.840 -0.234 0.000 0.899 48 L CB -0.300 41.519 42.059 -0.401 0.000 1.243 48 L HN 1.173 9.085 8.230 -0.283 0.148 0.449 49 Q N 4.285 124.050 119.800 -0.058 0.000 2.293 49 Q HA -0.089 4.242 4.340 -0.015 0.000 0.263 49 Q C -0.378 175.649 176.000 0.044 0.000 1.002 49 Q CA 0.461 56.257 55.803 -0.012 0.000 0.910 49 Q CB 0.245 28.970 28.738 -0.021 0.000 1.185 49 Q HN 0.509 8.735 8.270 -0.073 0.000 0.401 50 D N 2.410 122.855 120.400 0.075 0.000 3.293 50 D HA -0.418 4.338 4.640 0.097 -0.058 0.252 50 D C -1.780 174.637 176.300 0.194 0.000 1.073 50 D CA 1.066 55.128 54.000 0.104 0.000 0.957 50 D CB -0.649 40.190 40.800 0.065 0.000 0.987 50 D HN 0.348 8.755 8.370 0.062 0.000 0.422 51 F N 2.595 122.556 119.950 0.017 0.000 2.410 51 F HA 0.154 4.701 4.527 0.033 0.000 0.348 51 F C -1.506 174.318 175.800 0.040 0.000 1.106 51 F CA -0.606 57.414 58.000 0.033 0.000 1.163 51 F CB 1.774 40.800 39.000 0.043 0.000 1.129 51 F HN -0.663 7.810 8.300 0.288 0.000 0.516 52 S N 6.753 122.278 115.700 -0.291 0.000 2.745 52 S HA 0.248 4.609 4.470 -0.181 0.000 0.283 52 S C -0.474 173.877 174.600 -0.415 0.000 1.170 52 S CA -1.012 57.032 58.200 -0.260 0.000 1.119 52 S CB 1.700 64.838 63.200 -0.104 0.000 1.035 52 S HN 0.220 8.319 8.310 -0.351 0.000 0.483 53 E N 6.761 126.714 120.200 -0.410 0.000 2.051 53 E HA -0.286 3.813 4.350 -0.419 0.000 0.192 53 E C 1.498 178.015 176.600 -0.139 0.000 0.991 53 E CA 3.080 59.301 56.400 -0.299 0.000 0.799 53 E CB 0.028 29.638 29.700 -0.149 0.000 0.748 53 E HN 0.361 8.524 8.360 -0.329 0.000 0.449 54 V N -1.700 118.157 119.914 -0.095 0.000 2.439 54 V HA -0.482 3.622 4.120 -0.027 0.000 0.253 54 V C 1.948 178.014 176.094 -0.047 0.000 1.074 54 V CA 2.924 65.195 62.300 -0.048 0.000 1.076 54 V CB -0.195 31.606 31.823 -0.036 0.000 0.664 54 V HN 0.174 8.303 8.190 -0.101 0.000 0.461 55 E N -3.403 116.754 120.200 -0.072 0.000 2.033 55 E HA -0.313 4.015 4.350 -0.036 0.000 0.199 55 E C 0.554 177.130 176.600 -0.041 0.000 1.011 55 E CA 2.620 58.987 56.400 -0.053 0.000 0.815 55 E CB 0.419 30.081 29.700 -0.063 0.000 0.755 55 E HN -0.489 7.674 8.360 -0.105 0.134 0.451 56 D N -6.348 114.022 120.400 -0.050 0.000 2.404 56 D HA 0.083 4.719 4.640 -0.007 0.000 0.754 56 D C -1.108 175.176 176.300 -0.026 0.000 0.396 56 D CA 0.444 54.427 54.000 -0.028 0.000 1.253 56 D CB 2.238 43.017 40.800 -0.036 0.000 1.156 56 D HN -0.265 8.056 8.370 -0.082 0.000 0.335 57 S N -2.219 113.453 115.700 -0.047 0.000 3.513 57 S HA -0.431 4.068 4.470 0.048 0.000 0.636 57 S C -1.536 173.019 174.600 -0.075 0.000 2.452 57 S CA 1.834 60.036 58.200 0.004 0.000 2.644 57 S CB -0.369 62.873 63.200 0.071 0.000 0.331 57 S HN -0.072 8.198 8.310 -0.067 0.000 1.787 58 G N -2.242 106.494 108.800 -0.107 0.000 2.333 58 G HA2 0.015 3.548 3.960 -0.711 0.000 0.288 58 G HA3 0.015 3.651 3.960 -0.539 0.000 0.288 58 G C -2.989 171.688 174.900 -0.372 0.000 1.286 58 G CA 0.008 44.819 45.100 -0.482 0.000 0.865 58 G HN -0.608 7.726 8.290 0.073 0.000 0.506 59 Y N -2.989 117.072 120.300 -0.398 0.000 2.488 59 Y HA 0.917 5.492 4.550 -0.172 -0.129 0.325 59 Y C -0.464 175.253 175.900 -0.305 0.000 1.204 59 Y CA -3.701 54.239 58.100 -0.265 0.000 1.229 59 Y CB 1.890 40.239 38.460 -0.186 0.000 1.274 59 Y HN -0.022 7.562 8.280 -1.160 0.000 0.493 60 Y N -3.845 116.566 120.300 0.186 0.000 2.553 60 Y HA 0.534 5.380 4.550 0.216 -0.166 0.347 60 Y C -1.526 174.405 175.900 0.051 0.000 1.019 60 Y CA -0.989 57.235 58.100 0.206 0.000 1.032 60 Y CB 4.890 43.583 38.460 0.388 0.000 1.284 60 Y HN 0.643 9.094 8.280 0.284 0.000 0.466 61 V N -0.990 119.025 119.914 0.170 0.000 3.120 61 V HA 0.608 4.728 4.120 -0.148 -0.090 0.303 61 V C -2.632 173.168 176.094 -0.490 0.000 1.238 61 V CA -1.906 60.317 62.300 -0.128 0.000 1.008 61 V CB 4.734 36.507 31.823 -0.084 0.000 1.064 61 V HN -0.041 8.358 8.190 0.347 0.000 0.434 62 c N 2.660 120.889 118.600 -0.618 0.000 2.686 62 c HA 0.997 5.093 4.570 -1.110 -0.192 0.318 62 c C -1.781 172.031 174.090 -0.464 0.000 1.160 62 c CA -3.265 52.495 56.329 -0.949 0.000 1.396 62 c CB 2.160 43.779 42.510 -1.485 0.000 1.924 62 c HN -0.097 7.939 8.230 -0.325 0.000 0.471 63 Y N -1.712 118.431 120.300 -0.262 0.000 2.625 63 Y HA 0.465 4.917 4.550 -0.163 0.000 0.338 63 Y C -2.198 173.641 175.900 -0.102 0.000 1.123 63 Y CA -2.090 55.915 58.100 -0.159 0.000 1.046 63 Y CB 1.979 40.364 38.460 -0.126 0.000 1.299 63 Y HN 0.201 7.840 8.280 -1.069 0.000 0.464 64 T N -2.183 112.461 114.554 0.150 0.000 2.907 64 T HA 0.632 5.039 4.350 0.095 0.000 0.292 64 T C -1.853 172.906 174.700 0.099 0.000 1.043 64 T CA -3.620 58.536 62.100 0.094 0.000 1.003 64 T CB 1.301 70.184 68.868 0.025 0.000 1.084 64 T HN 0.010 8.332 8.240 0.138 0.000 0.483 65 P HA -0.209 4.241 4.420 0.050 0.000 0.213 65 P C 0.234 177.548 177.300 0.023 0.000 1.170 65 P CA 2.229 65.358 63.100 0.048 0.000 0.902 65 P CB 0.120 31.844 31.700 0.040 0.000 0.789 66 A N -4.787 118.043 122.820 0.017 0.000 2.066 66 A HA -0.101 4.221 4.320 0.003 0.000 0.218 66 A C 0.288 177.873 177.584 0.003 0.000 1.157 66 A CA 1.351 53.391 52.037 0.006 0.000 0.670 66 A CB -0.077 18.925 19.000 0.003 0.000 0.804 66 A HN -0.223 7.939 8.150 0.021 0.000 0.453 67 S N -2.731 112.975 115.700 0.009 0.000 2.532 67 S HA 0.075 4.543 4.470 -0.004 0.000 0.256 67 S C -1.390 173.216 174.600 0.010 0.000 1.298 67 S CA -1.202 57.000 58.200 0.004 0.000 1.166 67 S CB -0.110 63.088 63.200 -0.002 0.000 1.022 67 S HN -0.469 7.691 8.310 0.020 0.161 0.480 68 N N 8.260 126.953 118.700 -0.012 0.000 3.243 68 N HA -0.037 4.676 4.740 -0.044 0.000 0.310 68 N C -1.213 174.271 175.510 -0.043 0.000 1.313 68 N CA -0.218 52.808 53.050 -0.040 0.000 1.204 68 N CB -0.582 37.870 38.487 -0.059 0.000 1.483 68 N HN 0.461 8.832 8.380 -0.015 0.000 0.553 69 K N 0.248 120.638 120.400 -0.017 0.000 2.213 69 K HA 0.102 4.402 4.320 -0.034 0.000 0.270 69 K C -1.293 175.287 176.600 -0.033 0.000 1.002 69 K CA -0.911 55.360 56.287 -0.025 0.000 0.868 69 K CB 1.626 34.116 32.500 -0.017 0.000 1.093 69 K HN -0.460 7.713 8.250 0.009 0.083 0.454 70 N N 4.530 123.180 118.700 -0.085 0.000 2.392 70 N HA 0.176 4.843 4.740 -0.122 0.000 0.283 70 N C -1.189 174.165 175.510 -0.259 0.000 1.003 70 N CA -0.365 52.574 53.050 -0.186 0.000 0.892 70 N CB 2.227 40.555 38.487 -0.265 0.000 1.193 70 N HN 0.189 8.525 8.380 -0.072 0.000 0.487 71 T N 3.351 117.728 114.554 -0.295 0.000 2.890 71 T HA 0.324 4.570 4.350 -0.173 0.000 0.295 71 T C -1.711 172.782 174.700 -0.346 0.000 0.993 71 T CA -0.484 61.483 62.100 -0.222 0.000 0.979 71 T CB 1.924 70.812 68.868 0.033 0.000 0.967 71 T HN 0.230 8.319 8.240 -0.252 0.000 0.441 72 Y N 5.639 125.898 120.300 -0.069 0.000 2.452 72 Y HA -0.032 4.484 4.550 -0.057 0.000 0.348 72 Y C -1.047 174.754 175.900 -0.165 0.000 0.985 72 Y CA -0.450 57.596 58.100 -0.091 0.000 1.214 72 Y CB -0.418 37.996 38.460 -0.076 0.000 1.136 72 Y HN 0.447 8.747 8.280 0.033 0.000 0.523 73 L N 2.961 124.115 121.223 -0.115 0.000 2.317 73 L HA 0.448 4.708 4.340 -0.134 0.000 0.281 73 L C -2.252 174.669 176.870 0.084 0.000 1.024 73 L CA -0.982 53.757 54.840 -0.168 0.000 0.810 73 L CB 3.451 45.144 42.059 -0.610 0.000 1.240 73 L HN 0.151 8.321 8.230 -0.100 0.000 0.427 74 Y N 6.102 126.415 120.300 0.022 0.000 2.367 74 Y HA 0.114 4.840 4.550 0.294 0.000 0.342 74 Y C -2.241 173.764 175.900 0.175 0.000 0.979 74 Y CA -0.931 57.245 58.100 0.128 0.000 1.161 74 Y CB 1.027 39.490 38.460 0.005 0.000 1.155 74 Y HN 0.630 8.907 8.280 0.173 0.107 0.503 75 L N 8.330 129.829 121.223 0.460 0.000 2.305 75 L HA 0.309 4.935 4.340 0.477 0.000 0.284 75 L C -2.419 174.786 176.870 0.558 0.000 1.013 75 L CA -0.824 54.317 54.840 0.502 0.000 0.819 75 L CB 1.948 44.313 42.059 0.510 0.000 1.227 75 L HN 0.405 8.820 8.230 0.308 0.000 0.417 76 K N 6.230 126.934 120.400 0.506 0.000 2.695 76 K HA 0.255 4.802 4.320 0.377 0.000 0.255 76 K C -2.742 174.074 176.600 0.361 0.000 1.016 76 K CA 0.188 56.709 56.287 0.389 0.000 0.928 76 K CB 2.898 35.562 32.500 0.274 0.000 1.235 76 K HN -0.016 8.523 8.250 0.481 0.000 0.467 77 A N 1.824 124.905 122.820 0.434 0.000 2.610 77 A HA 0.413 4.980 4.320 0.230 -0.109 0.291 77 A C -2.353 175.345 177.584 0.190 0.000 1.086 77 A CA -0.928 51.330 52.037 0.368 0.000 0.677 77 A CB 3.532 22.838 19.000 0.510 0.000 1.278 77 A HN -0.018 8.346 8.150 0.356 0.000 0.414 78 R N 0.573 121.173 120.500 0.165 0.000 2.740 78 R HA 0.289 4.631 4.340 0.003 0.000 0.282 78 R C -1.404 174.981 176.300 0.143 0.000 0.969 78 R CA -0.624 55.527 56.100 0.085 0.000 0.918 78 R CB 3.254 33.572 30.300 0.030 0.000 1.175 78 R HN -0.024 8.348 8.270 0.171 0.000 0.464 79 V N -0.476 119.513 119.914 0.125 0.000 3.007 79 V HA 0.388 4.572 4.120 0.105 0.000 0.311 79 V C -0.477 175.660 176.094 0.071 0.000 1.120 79 V CA -2.118 60.251 62.300 0.115 0.000 0.980 79 V CB 3.236 35.149 31.823 0.151 0.000 1.033 79 V HN -0.240 8.004 8.190 0.090 0.000 0.429 80 G N 3.519 112.353 108.800 0.056 0.000 2.596 80 G HA2 -0.406 3.574 3.960 0.033 0.000 0.334 80 G HA3 -0.406 3.577 3.960 0.038 0.000 0.334 80 G C 0.364 175.282 174.900 0.030 0.000 1.351 80 G CA 1.256 46.380 45.100 0.039 0.000 0.965 80 G HN 0.290 8.616 8.290 0.059 0.000 0.533 81 S N 3.409 119.123 115.700 0.024 0.000 3.983 81 S HA 0.076 4.555 4.470 0.014 0.000 0.194 81 S C -1.082 173.526 174.600 0.013 0.000 1.464 81 S CA -0.515 57.695 58.200 0.016 0.000 1.021 81 S CB -1.150 62.058 63.200 0.013 0.000 1.424 81 S HN 0.339 8.663 8.310 0.024 0.000 0.473 82 A N 0.563 123.391 122.820 0.013 0.000 3.012 82 A HA 0.140 4.461 4.320 0.001 0.000 0.295 82 A C -2.079 175.499 177.584 -0.010 0.000 1.338 82 A CA -0.470 51.568 52.037 0.001 0.000 0.981 82 A CB 0.120 19.120 19.000 -0.000 0.000 1.091 82 A HN -0.339 7.754 8.150 0.018 0.068 0.602 83 D N -1.910 118.488 120.400 -0.004 0.000 2.865 83 D HA 0.063 4.696 4.640 -0.011 0.000 0.347 83 D C -0.739 175.559 176.300 -0.004 0.000 1.498 83 D CA -0.894 53.102 54.000 -0.006 0.000 0.787 83 D CB 0.119 40.917 40.800 -0.002 0.000 1.190 83 D HN -0.388 7.890 8.370 0.001 0.092 0.445 84 D N -0.133 120.265 120.400 -0.003 0.000 4.520 84 D HA -0.418 4.221 4.640 -0.001 0.000 0.212 84 D C -0.440 175.860 176.300 0.000 0.000 0.773 84 D CA 2.603 56.602 54.000 -0.002 0.000 1.822 84 D CB -0.150 40.648 40.800 -0.003 0.000 1.073 84 D HN 0.193 8.560 8.370 -0.005 0.000 0.411 85 A N -2.286 120.534 122.820 0.000 0.000 2.351 85 A HA 0.082 4.404 4.320 0.002 0.000 0.296 85 A C -0.660 176.924 177.584 0.000 0.000 1.028 85 A CA -0.008 52.029 52.037 0.001 0.000 0.575 85 A CB 0.550 19.551 19.000 0.001 0.000 1.461 85 A HN -0.213 7.916 8.150 -0.001 0.021 0.589 86 K N -0.507 119.893 120.400 0.001 0.000 2.057 86 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 86 K C 0.031 176.630 176.600 -0.001 0.000 1.049 86 K CA 1.788 58.075 56.287 -0.000 0.000 0.931 86 K CB 0.126 32.626 32.500 0.000 0.000 0.714 86 K HN 0.260 8.511 8.250 0.001 0.000 0.440 87 K N -3.974 116.426 120.400 -0.000 0.000 2.938 87 K HA 0.101 4.420 4.320 -0.001 0.000 0.222 87 K C -1.390 175.210 176.600 -0.000 0.000 1.423 87 K CA 0.052 56.339 56.287 -0.001 0.000 0.796 87 K CB -0.441 32.059 32.500 -0.001 0.000 1.293 87 K HN -0.686 7.564 8.250 0.000 0.000 0.501 88 D N 0.728 121.128 120.400 -0.000 0.000 2.087 88 D HA -0.127 4.514 4.640 0.000 0.000 0.203 88 D C 0.063 176.363 176.300 0.000 0.000 0.976 88 D CA 1.967 55.967 54.000 0.000 0.000 0.865 88 D CB 0.252 41.053 40.800 0.000 0.000 1.005 88 D HN -0.005 8.365 8.370 -0.000 0.000 0.449 89 A N -2.391 120.429 122.820 -0.000 0.000 3.036 89 A HA -0.022 4.298 4.320 -0.000 0.000 0.120 89 A C -1.499 176.085 177.584 -0.000 0.000 1.402 89 A CA 0.679 52.715 52.037 -0.000 0.000 1.949 89 A CB 0.272 19.272 19.000 0.000 0.000 1.896 89 A HN -0.171 7.979 8.150 -0.000 0.000 0.832 90 A N 0.250 123.070 122.820 -0.000 0.000 2.716 90 A HA 0.060 4.379 4.320 -0.001 0.000 0.206 90 A C -1.296 176.288 177.584 -0.000 0.000 1.811 90 A CA 0.277 52.314 52.037 -0.000 0.000 1.537 90 A CB 0.621 19.620 19.000 -0.000 0.000 0.975 90 A HN -0.019 8.131 8.150 -0.000 0.000 0.698 91 K N 0.507 120.907 120.400 -0.000 0.000 2.095 91 K HA 0.177 4.497 4.320 0.000 0.000 0.252 91 K C -0.181 176.419 176.600 -0.000 0.000 0.977 91 K CA -0.421 55.866 56.287 -0.000 0.000 0.900 91 K CB 1.050 33.551 32.500 0.001 0.000 1.060 91 K HN -0.148 8.102 8.250 -0.000 0.000 0.449 92 K N -1.708 118.692 120.400 -0.000 0.000 3.239 92 K HA -0.265 4.056 4.320 0.000 0.000 0.270 92 K C -1.796 174.803 176.600 -0.002 0.000 1.049 92 K CA 0.547 56.834 56.287 -0.000 0.000 0.769 92 K CB -1.048 31.452 32.500 0.000 0.000 1.305 92 K HN 0.362 8.612 8.250 0.000 0.000 0.469 93 D N -3.080 117.319 120.400 -0.002 0.000 2.755 93 D HA 0.078 4.715 4.640 -0.005 0.000 0.277 93 D C -1.972 174.326 176.300 -0.002 0.000 1.261 93 D CA -0.031 53.967 54.000 -0.003 0.000 0.759 93 D CB 2.279 43.077 40.800 -0.004 0.000 1.279 93 D HN -0.491 7.879 8.370 -0.001 0.000 0.420 94 D N -0.394 120.004 120.400 -0.003 0.000 2.333 94 D HA 0.153 4.792 4.640 -0.001 0.000 0.225 94 D C -1.727 174.572 176.300 -0.002 0.000 1.345 94 D CA -0.002 53.997 54.000 -0.002 0.000 0.971 94 D CB 0.888 41.687 40.800 -0.002 0.000 1.451 94 D HN -0.135 8.233 8.370 -0.004 0.000 0.561 95 A N 2.596 125.416 122.820 -0.001 0.000 2.640 95 A HA 0.055 4.375 4.320 -0.000 0.000 0.282 95 A C -0.938 176.647 177.584 0.001 0.000 1.357 95 A CA -0.151 51.886 52.037 0.000 0.000 0.946 95 A CB 0.146 19.147 19.000 0.001 0.000 1.065 95 A HN 0.097 8.247 8.150 -0.001 0.000 0.541 96 K N -2.144 118.256 120.400 0.000 0.000 2.482 96 K HA 0.167 4.488 4.320 0.002 0.000 0.257 96 K C -1.101 175.499 176.600 0.000 0.000 0.969 96 K CA -1.182 55.105 56.287 0.001 0.000 0.842 96 K CB 1.375 33.876 32.500 0.001 0.000 1.359 96 K HN -0.808 7.344 8.250 -0.000 0.098 0.441 97 K N -0.732 119.668 120.400 0.001 0.000 3.129 97 K HA -0.269 4.052 4.320 0.001 0.000 0.273 97 K C -1.334 175.265 176.600 -0.001 0.000 1.123 97 K CA 0.559 56.846 56.287 0.000 0.000 0.800 97 K CB -1.109 31.391 32.500 0.000 0.000 1.238 97 K HN 0.450 8.701 8.250 0.001 0.000 0.492 98 D N -0.785 119.614 120.400 -0.001 0.000 2.470 98 D HA -0.026 4.611 4.640 -0.004 0.000 0.226 98 D C -0.778 175.521 176.300 -0.002 0.000 1.196 98 D CA 0.099 54.098 54.000 -0.002 0.000 0.979 98 D CB -1.306 39.494 40.800 -0.001 0.000 1.059 98 D HN -0.176 8.172 8.370 0.001 0.023 0.515 99 D N 1.918 122.316 120.400 -0.003 0.000 2.452 99 D HA -0.024 4.614 4.640 -0.002 0.000 0.226 99 D C -1.314 174.984 176.300 -0.004 0.000 1.366 99 D CA 0.463 54.461 54.000 -0.002 0.000 0.986 99 D CB 1.919 42.719 40.800 -0.000 0.000 1.420 99 D HN -0.369 7.999 8.370 -0.004 0.000 0.583 100 A N 4.623 127.439 122.820 -0.007 0.000 2.444 100 A HA 0.217 4.534 4.320 -0.006 0.000 0.332 100 A C -1.108 176.473 177.584 -0.005 0.000 1.430 100 A CA -0.097 51.935 52.037 -0.008 0.000 0.975 100 A CB 0.176 19.168 19.000 -0.014 0.000 1.147 100 A HN 0.610 8.756 8.150 -0.008 0.000 0.524 101 K N 3.992 124.391 120.400 -0.002 0.000 2.256 101 K HA -0.059 4.261 4.320 -0.000 0.000 0.130 101 K C 0.806 177.406 176.600 0.001 0.000 2.157 101 K CA 1.505 57.792 56.287 -0.000 0.000 1.240 101 K CB 0.463 32.964 32.500 0.000 0.000 2.378 101 K HN 0.278 8.527 8.250 -0.002 0.000 0.491 102 K N 0.350 120.751 120.400 0.001 0.000 2.442 102 K HA -0.208 4.113 4.320 0.002 0.000 0.198 102 K C 0.468 177.069 176.600 0.002 0.000 1.044 102 K CA 2.100 58.388 56.287 0.001 0.000 0.948 102 K CB -0.164 32.337 32.500 0.001 0.000 0.762 102 K HN 0.071 8.321 8.250 0.000 0.000 0.472 103 D N -2.199 118.202 120.400 0.001 0.000 2.561 103 D HA 0.129 4.771 4.640 0.002 0.000 0.232 103 D C -0.345 175.956 176.300 0.003 0.000 1.198 103 D CA -0.511 53.490 54.000 0.002 0.000 0.826 103 D CB -0.375 40.425 40.800 0.001 0.000 0.992 103 D HN -0.247 8.059 8.370 0.001 0.063 0.490 104 G N -0.178 108.623 108.800 0.003 0.000 2.225 104 G HA2 -0.406 3.556 3.960 0.004 0.000 0.267 104 G HA3 -0.406 3.556 3.960 0.004 0.000 0.267 104 G C -0.300 174.602 174.900 0.004 0.000 1.024 104 G CA 0.618 45.721 45.100 0.004 0.000 0.784 104 G HN -0.453 7.729 8.290 0.002 0.109 0.507 105 S N -0.105 115.597 115.700 0.003 0.000 2.549 105 S HA -0.115 4.358 4.470 0.005 0.000 0.279 105 S C 0.333 174.936 174.600 0.004 0.000 1.321 105 S CA 0.537 58.739 58.200 0.003 0.000 1.054 105 S CB 0.466 63.666 63.200 -0.000 0.000 0.899 105 S HN -0.592 7.691 8.310 0.002 0.029 0.497 106 Q N 3.779 123.583 119.800 0.007 0.000 2.263 106 Q HA -0.126 4.219 4.340 0.008 0.000 0.270 106 Q C 0.361 176.365 176.000 0.008 0.000 1.104 106 Q CA 0.715 56.523 55.803 0.009 0.000 0.909 106 Q CB -0.700 28.046 28.738 0.012 0.000 1.214 106 Q HN 0.101 8.376 8.270 0.008 0.000 0.400 107 T N 3.714 118.272 114.554 0.007 0.000 4.361 107 T HA 0.073 4.428 4.350 0.009 0.000 0.189 107 T C -0.335 174.369 174.700 0.005 0.000 0.787 107 T CA 0.489 62.593 62.100 0.007 0.000 1.406 107 T CB -0.171 68.700 68.868 0.004 0.000 0.855 107 T HN -0.059 8.185 8.240 0.006 0.000 0.578 108 N N 1.278 119.981 118.700 0.005 0.000 2.349 108 N HA 0.130 4.872 4.740 0.003 0.000 0.180 108 N C 0.652 176.164 175.510 0.003 0.000 1.024 108 N CA 0.815 53.867 53.050 0.004 0.000 0.869 108 N CB 0.461 38.950 38.487 0.003 0.000 1.022 108 N HN 0.097 8.480 8.380 0.006 0.000 0.433 109 K N -1.092 119.310 120.400 0.003 0.000 2.309 109 K HA 0.184 4.504 4.320 -0.000 0.000 0.210 109 K C 0.771 177.372 176.600 0.001 0.000 1.114 109 K CA 0.317 56.605 56.287 0.001 0.000 0.912 109 K CB 0.765 33.264 32.500 -0.001 0.000 1.198 109 K HN -0.116 8.137 8.250 0.004 0.000 0.471 110 A N -0.517 122.306 122.820 0.004 0.000 1.260 110 A HA -0.377 3.951 4.320 0.014 0.000 0.276 110 A C -0.673 176.908 177.584 -0.004 0.000 1.132 110 A CA 1.352 53.393 52.037 0.007 0.000 1.094 110 A CB -1.120 17.886 19.000 0.010 0.000 1.471 110 A HN -0.128 8.025 8.150 0.006 0.000 0.723 111 K N -1.308 119.085 120.400 -0.011 0.000 5.226 111 K HA -0.436 3.869 4.320 -0.025 0.000 0.572 111 K C -1.173 175.398 176.600 -0.048 0.000 2.579 111 K CA 0.499 56.771 56.287 -0.026 0.000 2.030 111 K CB 0.072 32.557 32.500 -0.024 0.000 2.527 111 K HN 0.173 8.372 8.250 -0.006 0.047 0.150 112 N N -1.236 117.424 118.700 -0.067 0.000 2.699 112 N HA -0.339 4.334 4.740 -0.112 0.000 0.257 112 N C -2.018 173.423 175.510 -0.116 0.000 1.077 112 N CA 0.798 53.781 53.050 -0.112 0.000 0.702 112 N CB -0.269 38.127 38.487 -0.151 0.000 0.886 112 N HN 0.178 8.524 8.380 -0.057 0.000 0.549 113 L N -0.081 121.104 121.223 -0.063 0.000 2.280 113 L HA 0.166 4.497 4.340 -0.015 0.000 0.287 113 L C -1.107 175.759 176.870 -0.006 0.000 1.023 113 L CA -0.523 54.308 54.840 -0.016 0.000 0.819 113 L CB 0.502 42.575 42.059 0.025 0.000 1.212 113 L HN -0.360 7.839 8.230 -0.053 0.000 0.420 114 V N 5.125 125.034 119.914 -0.009 0.000 2.547 114 V HA 0.200 4.346 4.120 0.044 0.000 0.299 114 V C -1.344 174.846 176.094 0.161 0.000 1.040 114 V CA -1.190 61.129 62.300 0.032 0.000 0.913 114 V CB 2.032 33.835 31.823 -0.034 0.000 0.992 114 V HN 0.179 8.347 8.190 -0.037 0.000 0.449 115 Q N 7.547 127.483 119.800 0.227 0.000 2.456 115 Q HA 0.375 4.971 4.340 0.427 0.000 0.283 115 Q C -2.149 174.032 176.000 0.302 0.000 1.084 115 Q CA -1.411 54.577 55.803 0.308 0.000 0.801 115 Q CB 5.033 33.912 28.738 0.234 0.000 1.434 115 Q HN -0.073 8.320 8.270 0.205 0.000 0.419 116 V N -2.514 117.582 119.914 0.302 0.000 2.841 116 V HA 0.704 5.127 4.120 0.199 -0.184 0.310 116 V C -1.802 174.399 176.094 0.178 0.000 1.090 116 V CA -2.256 60.165 62.300 0.201 0.000 0.930 116 V CB 3.578 35.451 31.823 0.084 0.000 1.014 116 V HN 0.392 8.812 8.190 0.383 0.000 0.425 117 D N 4.151 124.621 120.400 0.117 0.000 2.313 117 D HA 0.153 4.855 4.640 0.103 0.000 0.247 117 D C 0.043 176.372 176.300 0.049 0.000 1.094 117 D CA 0.568 54.616 54.000 0.080 0.000 0.925 117 D CB 2.667 43.491 40.800 0.040 0.000 1.188 117 D HN 0.699 8.971 8.370 0.098 0.157 0.430 118 G N 0.484 109.311 108.800 0.044 0.000 4.517 118 G HA2 0.052 3.974 3.960 -0.063 0.000 0.258 118 G HA3 0.052 4.056 3.960 0.073 0.000 0.258 118 G C -1.315 173.583 174.900 -0.004 0.000 1.038 118 G CA 0.103 45.210 45.100 0.013 0.000 0.810 118 G HN 0.137 8.459 8.290 0.054 0.000 0.383 119 S N -0.320 115.379 115.700 -0.002 0.000 2.479 119 S HA 0.221 4.680 4.470 -0.019 0.000 0.169 119 S C -0.457 174.137 174.600 -0.010 0.000 1.181 119 S CA 0.201 58.398 58.200 -0.007 0.000 1.169 119 S CB 0.326 63.532 63.200 0.009 0.000 1.384 119 S HN -0.507 8.067 8.310 0.006 -0.260 0.412 120 R N 5.959 126.444 120.500 -0.026 0.000 2.507 120 R HA 0.206 4.538 4.340 -0.013 0.000 0.298 120 R C 0.315 176.600 176.300 -0.025 0.000 0.999 120 R CA -0.049 56.036 56.100 -0.024 0.000 1.082 120 R CB -0.068 30.211 30.300 -0.036 0.000 1.246 120 R HN 0.407 8.653 8.270 -0.039 0.000 0.553 121 G N 0.776 109.562 108.800 -0.023 0.000 2.475 121 G HA2 -0.352 3.597 3.960 -0.017 0.000 0.209 121 G HA3 -0.352 3.595 3.960 -0.021 0.000 0.209 121 G C -0.043 174.839 174.900 -0.029 0.000 1.127 121 G CA 0.230 45.317 45.100 -0.022 0.000 0.681 121 G HN -0.072 8.122 8.290 -0.022 0.083 0.517 122 D N 0.691 121.068 120.400 -0.038 0.000 2.355 122 D HA 0.081 4.698 4.640 -0.038 0.000 0.206 122 D C -0.084 176.182 176.300 -0.056 0.000 1.010 122 D CA -0.117 53.856 54.000 -0.045 0.000 0.875 122 D CB 0.761 41.530 40.800 -0.050 0.000 0.966 122 D HN 0.006 8.271 8.370 -0.041 0.080 0.512 123 G N -2.746 106.017 108.800 -0.062 0.000 2.181 123 G HA2 -0.208 3.712 3.960 -0.066 0.000 0.152 123 G HA3 -0.208 3.707 3.960 -0.075 0.000 0.152 123 G C -1.808 173.022 174.900 -0.116 0.000 1.026 123 G CA -0.264 44.790 45.100 -0.078 0.000 0.699 123 G HN 0.145 8.402 8.290 -0.056 0.000 0.497 124 S N -0.361 115.270 115.700 -0.114 0.000 2.499 124 S HA 0.091 4.453 4.470 -0.181 0.000 0.279 124 S C -0.579 173.920 174.600 -0.170 0.000 1.219 124 S CA -0.396 57.713 58.200 -0.152 0.000 1.062 124 S CB 1.261 64.383 63.200 -0.130 0.000 0.978 124 S HN -0.522 7.735 8.310 -0.089 0.000 0.489 125 V N 6.016 125.780 119.914 -0.250 0.000 2.465 125 V HA -0.042 4.081 4.120 -0.186 -0.115 0.279 125 V C -1.405 174.565 176.094 -0.207 0.000 1.045 125 V CA -0.603 61.539 62.300 -0.263 0.000 0.938 125 V CB 1.165 32.689 31.823 -0.498 0.000 0.986 125 V HN 0.024 8.041 8.190 -0.288 0.000 0.467 126 L N 6.440 127.604 121.223 -0.100 0.000 2.388 126 L HA 0.604 5.128 4.340 -0.126 -0.260 0.267 126 L C -0.537 176.362 176.870 0.047 0.000 0.995 126 L CA -1.811 52.998 54.840 -0.052 0.000 0.864 126 L CB 2.426 44.480 42.059 -0.009 0.000 1.216 126 L HN -0.114 8.030 8.230 -0.053 0.054 0.430 127 L N 6.898 128.142 121.223 0.035 0.000 2.369 127 L HA 0.181 4.648 4.340 0.211 0.000 0.279 127 L C -0.614 176.529 176.870 0.456 0.000 1.108 127 L CA -0.237 54.705 54.840 0.170 0.000 0.852 127 L CB 0.994 43.017 42.059 -0.061 0.000 1.169 127 L HN 0.575 8.663 8.230 -0.086 0.091 0.452 128 T N 3.797 118.634 114.554 0.471 0.000 2.867 128 T HA 0.723 5.581 4.350 0.477 -0.222 0.282 128 T C -0.716 174.183 174.700 0.332 0.000 1.000 128 T CA -0.932 61.419 62.100 0.417 0.000 1.042 128 T CB 1.623 70.630 68.868 0.232 0.000 0.973 128 T HN 0.816 9.159 8.240 0.366 0.117 0.465 129 c N 4.149 122.794 118.600 0.075 0.000 3.221 129 c HA 0.273 4.761 4.570 -0.136 0.000 0.371 129 c C -0.508 173.464 174.090 -0.197 0.000 2.951 129 c CA -0.839 55.344 56.329 -0.243 0.000 1.273 129 c CB 2.385 44.342 42.510 -0.922 0.000 3.371 129 c HN -0.102 8.211 8.230 0.138 0.000 0.457 130 G N -0.436 108.202 108.800 -0.270 0.000 2.383 130 G HA2 -0.229 3.607 3.960 -0.206 0.000 0.229 130 G HA3 -0.229 3.651 3.960 -0.132 0.000 0.229 130 G C -1.005 173.823 174.900 -0.121 0.000 1.089 130 G CA 0.697 45.690 45.100 -0.178 0.000 0.640 130 G HN 0.263 8.330 8.290 -0.372 0.000 0.510 131 L N -1.434 119.733 121.223 -0.093 0.000 3.386 131 L HA -0.300 4.011 4.340 -0.048 0.000 0.686 131 L C -0.023 176.821 176.870 -0.044 0.000 1.220 131 L CA 0.299 55.101 54.840 -0.064 0.000 1.165 131 L CB -3.149 38.862 42.059 -0.080 0.000 1.730 131 L HN 0.165 8.239 8.230 -0.091 0.102 0.889 132 T N -7.962 106.576 114.554 -0.026 0.000 4.386 132 T HA -0.409 3.937 4.350 -0.006 0.000 0.320 132 T C -0.684 174.004 174.700 -0.021 0.000 0.916 132 T CA 1.322 63.413 62.100 -0.016 0.000 2.028 132 T CB -0.598 68.262 68.868 -0.013 0.000 1.935 132 T HN 0.124 8.353 8.240 -0.019 0.000 0.894 133 D N 0.053 120.433 120.400 -0.033 0.000 2.193 133 D HA 0.126 4.748 4.640 -0.030 0.000 0.249 133 D C 0.501 176.787 176.300 -0.024 0.000 1.034 133 D CA -0.204 53.775 54.000 -0.035 0.000 0.902 133 D CB 1.658 42.424 40.800 -0.056 0.000 1.182 133 D HN -0.214 8.085 8.370 -0.040 0.047 0.436 134 K N 2.136 122.525 120.400 -0.019 0.000 2.487 134 K HA 0.032 4.350 4.320 -0.003 0.000 0.192 134 K C -1.184 175.409 176.600 -0.013 0.000 1.027 134 K CA 0.676 56.957 56.287 -0.010 0.000 1.054 134 K CB 0.586 33.082 32.500 -0.007 0.000 0.824 134 K HN 0.228 8.465 8.250 -0.021 0.000 0.510 135 T N -1.133 113.405 114.554 -0.026 0.000 2.881 135 T HA 0.213 4.551 4.350 -0.020 0.000 0.290 135 T C -2.135 172.530 174.700 -0.058 0.000 1.000 135 T CA -0.233 61.847 62.100 -0.032 0.000 0.978 135 T CB 2.327 71.175 68.868 -0.033 0.000 0.997 135 T HN -0.480 7.661 8.240 -0.034 0.079 0.443 136 I N 2.545 123.079 120.570 -0.060 0.000 2.692 136 I HA 0.428 4.701 4.170 -0.148 -0.192 0.293 136 I C -1.468 174.587 176.117 -0.103 0.000 1.200 136 I CA -1.104 60.129 61.300 -0.112 0.000 1.036 136 I CB 3.979 41.905 38.000 -0.123 0.000 1.258 136 I HN 0.247 8.436 8.210 -0.035 0.000 0.421 137 K N 5.262 125.566 120.400 -0.161 0.000 2.579 137 K HA 0.322 4.590 4.320 -0.087 0.000 0.250 137 K C -1.936 174.557 176.600 -0.178 0.000 0.952 137 K CA -0.972 55.238 56.287 -0.127 0.000 0.857 137 K CB 2.559 35.003 32.500 -0.093 0.000 1.123 137 K HN -0.048 8.071 8.250 -0.218 0.000 0.433 138 W N 5.377 126.486 121.300 -0.319 0.000 2.449 138 W HA 0.412 5.106 4.660 -0.278 -0.201 0.331 138 W C -1.116 175.193 176.519 -0.350 0.000 1.119 138 W CA -0.884 56.212 57.345 -0.416 0.000 1.240 138 W CB 2.372 31.333 29.460 -0.832 0.000 1.251 138 W HN 0.344 8.478 8.180 -0.076 0.000 0.576 139 L N 1.005 122.326 121.223 0.163 0.000 2.376 139 L HA 0.596 5.063 4.340 0.025 -0.111 0.258 139 L C -1.897 175.085 176.870 0.187 0.000 1.013 139 L CA -0.792 54.105 54.840 0.096 0.000 0.822 139 L CB 4.637 46.734 42.059 0.063 0.000 1.388 139 L HN 0.776 9.225 8.230 0.365 0.000 0.413 140 K N 0.139 120.632 120.400 0.154 0.000 2.450 140 K HA 0.394 4.907 4.320 0.322 0.000 0.257 140 K C -0.096 176.598 176.600 0.156 0.000 0.953 140 K CA -1.743 54.678 56.287 0.223 0.000 0.844 140 K CB 1.600 34.239 32.500 0.233 0.000 1.103 140 K HN 0.820 9.006 8.250 0.105 0.127 0.429 141 D N 6.061 126.549 120.400 0.147 0.000 2.811 141 D HA -0.284 4.410 4.640 0.089 0.000 0.231 141 D C 0.032 176.379 176.300 0.078 0.000 1.157 141 D CA 1.833 55.892 54.000 0.100 0.000 0.716 141 D CB -0.410 40.445 40.800 0.092 0.000 1.077 141 D HN 0.930 9.404 8.370 0.173 0.000 0.428 142 G N -5.357 103.490 108.800 0.079 0.000 2.132 142 G HA2 -0.374 3.616 3.960 0.050 0.000 0.234 142 G HA3 -0.374 3.614 3.960 0.048 0.000 0.234 142 G C -1.150 173.780 174.900 0.050 0.000 0.989 142 G CA -0.292 44.841 45.100 0.056 0.000 0.676 142 G HN -0.072 8.248 8.290 0.098 0.029 0.522 143 S N -0.006 115.732 115.700 0.062 0.000 2.500 143 S HA 0.240 4.734 4.470 0.041 0.000 0.301 143 S C -1.032 173.595 174.600 0.045 0.000 1.092 143 S CA -1.336 56.895 58.200 0.052 0.000 1.030 143 S CB 1.567 64.804 63.200 0.061 0.000 1.031 143 S HN -0.349 7.903 8.310 0.082 0.108 0.483 144 I N 7.500 128.086 120.570 0.027 0.000 2.587 144 I HA -0.142 4.027 4.170 -0.003 0.000 0.284 144 I C -0.367 175.757 176.117 0.012 0.000 1.134 144 I CA 0.864 62.170 61.300 0.009 0.000 1.410 144 I CB -0.173 37.830 38.000 0.005 0.000 1.392 144 I HN 0.575 8.800 8.210 0.026 0.000 0.545 145 I N 9.944 130.496 120.570 -0.030 0.000 2.503 145 I HA 0.278 4.486 4.170 0.063 0.000 0.282 145 I C -2.383 173.643 176.117 -0.151 0.000 1.059 145 I CA -0.602 60.693 61.300 -0.007 0.000 1.081 145 I CB 1.276 39.315 38.000 0.066 0.000 1.210 145 I HN -0.144 8.022 8.210 -0.072 0.000 0.450 146 S N 7.706 123.422 115.700 0.026 0.000 2.607 146 S HA 0.615 4.997 4.470 -0.147 0.000 0.303 146 S C -2.216 172.583 174.600 0.331 0.000 1.086 146 S CA -2.393 55.846 58.200 0.063 0.000 0.995 146 S CB 0.821 64.045 63.200 0.039 0.000 1.084 146 S HN 0.081 8.438 8.310 0.078 0.000 0.507 147 P HA 0.161 4.733 4.420 0.253 0.000 0.277 147 P C -1.708 175.677 177.300 0.142 0.000 1.271 147 P CA -0.517 62.766 63.100 0.305 0.000 0.795 147 P CB 0.638 32.522 31.700 0.305 0.000 1.101 148 L N 2.497 123.764 121.223 0.074 0.000 2.318 148 L HA 0.213 4.585 4.340 0.053 0.000 0.277 148 L C -0.273 176.614 176.870 0.030 0.000 1.008 148 L CA -0.372 54.494 54.840 0.045 0.000 0.846 148 L CB -0.590 41.483 42.059 0.024 0.000 1.220 148 L HN -0.136 8.122 8.230 0.048 0.000 0.423 149 N N 2.843 121.564 118.700 0.035 0.000 2.815 149 N HA -0.236 4.520 4.740 0.026 0.000 0.249 149 N C -1.786 173.741 175.510 0.029 0.000 1.114 149 N CA 0.376 53.441 53.050 0.025 0.000 0.717 149 N CB -0.057 38.438 38.487 0.013 0.000 1.074 149 N HN 0.313 8.718 8.380 0.042 0.000 0.555 150 A N -2.261 120.588 122.820 0.048 0.000 2.520 150 A HA 0.230 4.575 4.320 0.042 0.000 0.298 150 A C -1.764 175.873 177.584 0.088 0.000 1.051 150 A CA 0.287 52.358 52.037 0.056 0.000 0.690 150 A CB 2.506 21.533 19.000 0.045 0.000 1.281 150 A HN -0.456 7.709 8.150 0.061 0.021 0.402 151 T N 1.154 115.757 114.554 0.083 0.000 4.617 151 T HA 0.029 4.459 4.350 0.133 0.000 0.204 151 T C 0.022 174.772 174.700 0.083 0.000 0.898 151 T CA 0.325 62.483 62.100 0.096 0.000 1.387 151 T CB -0.757 68.155 68.868 0.073 0.000 0.765 151 T HN 0.119 8.398 8.240 0.065 0.000 0.563 152 K N 3.696 124.151 120.400 0.092 0.000 2.994 152 K HA 0.191 4.548 4.320 0.062 0.000 0.231 152 K C -0.905 175.756 176.600 0.101 0.000 1.174 152 K CA -0.570 55.764 56.287 0.078 0.000 1.221 152 K CB -1.083 31.454 32.500 0.062 0.000 1.166 152 K HN 0.143 8.455 8.250 0.104 0.000 0.453 153 N N -2.548 116.220 118.700 0.114 0.000 2.713 153 N HA -0.361 4.449 4.740 0.117 0.000 0.251 153 N C -1.670 173.974 175.510 0.223 0.000 1.117 153 N CA 1.415 54.543 53.050 0.130 0.000 0.770 153 N CB -0.235 38.301 38.487 0.082 0.000 1.137 153 N HN 0.230 8.572 8.380 0.104 0.101 0.566 154 T N -8.455 106.251 114.554 0.254 0.000 2.905 154 T HA 0.153 4.806 4.350 0.387 -0.072 0.283 154 T C -1.328 173.625 174.700 0.422 0.000 1.031 154 T CA -1.644 60.644 62.100 0.313 0.000 1.002 154 T CB 2.588 71.557 68.868 0.169 0.000 1.200 154 T HN -0.605 7.695 8.240 0.207 0.064 0.560 155 W N 0.323 121.595 121.300 -0.046 0.000 2.839 155 W HA 0.004 4.564 4.660 -0.168 0.000 0.334 155 W C -2.582 173.758 176.519 -0.298 0.000 1.064 155 W CA -1.833 55.333 57.345 -0.297 0.000 1.236 155 W CB 3.279 32.154 29.460 -0.976 0.000 1.405 155 W HN -0.192 8.140 8.180 0.209 -0.026 0.478 156 N N 6.866 124.973 118.700 -0.987 0.000 2.420 156 N HA -0.060 4.342 4.740 -0.563 0.000 0.262 156 N C -0.928 173.861 175.510 -1.202 0.000 1.144 156 N CA 1.110 53.602 53.050 -0.930 0.000 0.952 156 N CB -0.038 38.001 38.487 -0.748 0.000 1.081 156 N HN 0.373 8.122 8.380 -1.053 0.000 0.480 157 L N 4.074 124.856 121.223 -0.736 0.000 2.537 157 L HA 0.135 4.048 4.340 -0.712 0.000 0.224 157 L C -0.906 175.715 176.870 -0.416 0.000 1.065 157 L CA -0.399 54.088 54.840 -0.588 0.000 0.860 157 L CB 1.407 43.220 42.059 -0.411 0.000 1.086 157 L HN -0.238 7.661 8.230 -0.551 0.000 0.482 158 G N -2.666 105.908 108.800 -0.378 0.000 2.462 158 G HA2 -0.295 3.509 3.960 -0.259 0.000 0.685 158 G HA3 -0.295 3.512 3.960 -0.255 0.000 0.685 158 G C -2.151 172.588 174.900 -0.268 0.000 1.295 158 G CA -0.960 43.969 45.100 -0.284 0.000 0.941 158 G HN -1.019 7.034 8.290 -0.395 0.000 0.554 159 N N 1.975 120.552 118.700 -0.204 0.000 2.418 159 N HA -0.137 4.725 4.740 -0.180 -0.230 0.277 159 N C 1.748 177.130 175.510 -0.214 0.000 1.317 159 N CA 0.001 52.942 53.050 -0.181 0.000 0.922 159 N CB 0.334 38.744 38.487 -0.128 0.000 1.194 159 N HN 0.210 8.483 8.380 -0.178 0.000 0.485 160 N N 7.290 125.828 118.700 -0.271 0.000 2.187 160 N HA -0.442 3.976 4.740 -0.537 0.000 0.194 160 N C 0.977 176.384 175.510 -0.173 0.000 1.002 160 N CA 3.276 56.129 53.050 -0.329 0.000 0.882 160 N CB -0.805 37.518 38.487 -0.273 0.000 1.003 160 N HN 0.422 8.646 8.380 -0.259 0.000 0.443 161 A N -1.203 121.546 122.820 -0.118 0.000 1.940 161 A HA -0.229 4.061 4.320 -0.049 0.000 0.219 161 A C 0.974 178.518 177.584 -0.067 0.000 1.176 161 A CA 2.132 54.127 52.037 -0.071 0.000 0.631 161 A CB -0.291 18.674 19.000 -0.059 0.000 0.814 161 A HN 0.148 8.189 8.150 -0.124 0.034 0.446 162 K N -4.933 115.414 120.400 -0.089 0.000 2.761 162 K HA 0.123 4.410 4.320 -0.055 0.000 0.196 162 K C -1.090 175.456 176.600 -0.090 0.000 1.134 162 K CA -0.663 55.580 56.287 -0.072 0.000 1.082 162 K CB 1.513 33.978 32.500 -0.059 0.000 0.768 162 K HN 0.013 8.057 8.250 -0.114 0.139 0.475 163 D N 2.232 122.550 120.400 -0.137 0.000 2.338 163 D HA 0.191 4.743 4.640 -0.147 0.000 0.255 163 D C -1.564 174.700 176.300 -0.060 0.000 1.237 163 D CA -2.179 51.724 54.000 -0.160 0.000 0.883 163 D CB 0.780 41.385 40.800 -0.325 0.000 1.087 163 D HN -0.451 7.703 8.370 -0.161 0.120 0.485 164 P HA -0.114 4.332 4.420 0.043 0.000 0.267 164 P C -1.704 175.686 177.300 0.150 0.000 1.201 164 P CA 0.055 63.190 63.100 0.057 0.000 0.775 164 P CB 0.669 32.406 31.700 0.061 0.000 0.854 165 R N -0.771 119.823 120.500 0.158 0.000 2.828 165 R HA 0.383 4.940 4.340 0.272 -0.054 0.264 165 R C -0.097 176.288 176.300 0.143 0.000 1.022 165 R CA -2.002 54.219 56.100 0.201 0.000 1.021 165 R CB 1.796 32.212 30.300 0.192 0.000 1.163 165 R HN -0.090 8.252 8.270 0.120 0.000 0.494 166 G N -0.910 107.876 108.800 -0.023 0.000 2.360 166 G HA2 0.133 4.072 3.960 -0.036 0.000 0.276 166 G HA3 0.133 4.009 3.960 -0.141 0.000 0.276 166 G C -2.581 172.007 174.900 -0.519 0.000 1.256 166 G CA 0.412 45.402 45.100 -0.184 0.000 0.890 166 G HN -0.105 8.161 8.290 -0.039 0.000 0.486 167 T N -0.277 113.973 114.554 -0.507 0.000 2.797 167 T HA 0.831 5.104 4.350 -0.386 -0.153 0.279 167 T C -1.104 173.367 174.700 -0.381 0.000 0.991 167 T CA -1.738 60.124 62.100 -0.397 0.000 0.979 167 T CB 2.086 70.901 68.868 -0.088 0.000 0.943 167 T HN 0.112 8.175 8.240 -0.295 0.000 0.444 168 Y N 2.181 122.609 120.300 0.214 0.000 2.354 168 Y HA 0.517 5.359 4.550 0.242 -0.148 0.330 168 Y C -0.714 175.474 175.900 0.481 0.000 1.011 168 Y CA -2.504 55.788 58.100 0.320 0.000 1.099 168 Y CB 2.273 40.842 38.460 0.181 0.000 1.179 168 Y HN 0.290 8.515 8.280 -0.032 0.036 0.442 169 Q N 2.122 122.205 119.800 0.472 0.000 2.245 169 Q HA 0.543 5.110 4.340 0.113 -0.158 0.256 169 Q C -1.587 174.312 176.000 -0.168 0.000 0.942 169 Q CA -2.039 53.854 55.803 0.150 0.000 0.896 169 Q CB 2.704 31.488 28.738 0.077 0.000 1.272 169 Q HN 0.206 8.747 8.270 0.451 0.000 0.442 170 c N 0.463 118.770 118.600 -0.487 0.000 2.486 170 c HA 0.723 4.946 4.570 -0.853 -0.164 0.348 170 c C -0.524 173.327 174.090 -0.397 0.000 1.203 170 c CA -2.310 53.550 56.329 -0.782 0.000 1.911 170 c CB 3.184 44.959 42.510 -1.226 0.000 2.340 170 c HN 0.263 8.295 8.230 -0.330 0.000 0.511 171 Q N -0.074 119.522 119.800 -0.340 0.000 2.337 171 Q HA 0.203 4.433 4.340 -0.184 0.000 0.260 171 Q C -1.546 174.345 176.000 -0.183 0.000 0.982 171 Q CA -0.766 54.914 55.803 -0.206 0.000 0.734 171 Q CB 2.393 31.047 28.738 -0.141 0.000 1.272 171 Q HN 0.298 8.328 8.270 -0.400 0.000 0.461 172 G N 2.603 111.306 108.800 -0.161 0.000 2.437 172 G HA2 0.401 4.476 3.960 -0.127 0.000 0.319 172 G HA3 0.401 4.432 3.960 -0.128 -0.148 0.319 172 G C -1.613 173.234 174.900 -0.088 0.000 1.158 172 G CA -1.515 43.510 45.100 -0.126 0.000 0.899 172 G HN 0.380 8.473 8.290 -0.160 0.100 0.502 173 A N 2.295 125.074 122.820 -0.069 0.000 1.893 173 A HA -0.320 3.971 4.320 -0.047 0.000 0.222 173 A C 0.245 177.800 177.584 -0.048 0.000 1.309 173 A CA 2.846 54.853 52.037 -0.051 0.000 0.681 173 A CB -0.116 18.860 19.000 -0.041 0.000 0.842 173 A HN 0.205 8.347 8.150 -0.070 -0.034 0.468 174 K N -3.689 116.682 120.400 -0.049 0.000 2.501 174 K HA 0.083 4.377 4.320 -0.042 0.000 0.204 174 K C -1.292 175.277 176.600 -0.052 0.000 1.067 174 K CA -0.473 55.787 56.287 -0.044 0.000 1.060 174 K CB 1.109 33.589 32.500 -0.035 0.000 0.873 174 K HN -0.520 7.882 8.250 -0.052 -0.184 0.540 175 E N -0.516 119.644 120.200 -0.068 0.000 2.302 175 E HA 0.212 4.520 4.350 -0.070 0.000 0.263 175 E C -1.814 174.721 176.600 -0.109 0.000 0.897 175 E CA -0.549 55.802 56.400 -0.081 0.000 0.809 175 E CB 2.434 32.085 29.700 -0.081 0.000 1.270 175 E HN -0.501 7.618 8.360 -0.074 0.197 0.410 176 T N 5.377 119.869 114.554 -0.103 0.000 2.771 176 T HA 0.228 4.548 4.350 -0.160 -0.065 0.281 176 T C -0.783 173.839 174.700 -0.130 0.000 0.982 176 T CA -0.383 61.643 62.100 -0.124 0.000 0.978 176 T CB 0.920 69.733 68.868 -0.093 0.000 0.930 176 T HN 0.110 8.301 8.240 -0.082 0.000 0.447 177 S N 4.739 120.331 115.700 -0.181 0.000 2.616 177 S HA 0.089 4.467 4.470 -0.152 0.000 0.277 177 S C -0.391 174.146 174.600 -0.106 0.000 1.234 177 S CA -0.609 57.489 58.200 -0.170 0.000 1.028 177 S CB 1.365 64.425 63.200 -0.232 0.000 0.988 177 S HN -0.147 7.929 8.310 -0.235 0.093 0.522 178 N N 3.266 121.937 118.700 -0.048 0.000 2.408 178 N HA 0.170 4.920 4.740 0.016 0.000 0.260 178 N C -2.249 173.297 175.510 0.059 0.000 1.242 178 N CA -1.264 51.802 53.050 0.027 0.000 0.959 178 N CB 0.347 38.895 38.487 0.100 0.000 1.201 178 N HN 0.174 8.511 8.380 -0.072 0.000 0.511 179 P HA -0.165 4.447 4.420 0.157 -0.097 0.253 179 P C -1.953 175.408 177.300 0.103 0.000 1.170 179 P CA 0.609 63.775 63.100 0.109 0.000 0.806 179 P CB -0.369 31.378 31.700 0.078 0.000 0.775 180 L N 5.685 127.003 121.223 0.159 0.000 2.313 180 L HA 0.019 4.420 4.340 0.101 0.000 0.282 180 L C -0.181 176.702 176.870 0.023 0.000 1.092 180 L CA -0.291 54.631 54.840 0.137 0.000 0.831 180 L CB 1.063 43.290 42.059 0.280 0.000 1.159 180 L HN 0.832 9.076 8.230 0.266 0.145 0.442 181 Q N 7.283 127.090 119.800 0.012 0.000 2.472 181 Q HA 0.134 4.644 4.340 -0.105 -0.233 0.227 181 Q C -0.724 175.301 176.000 0.043 0.000 1.156 181 Q CA -0.673 55.114 55.803 -0.027 0.000 0.924 181 Q CB -0.100 28.609 28.738 -0.048 0.000 1.354 181 Q HN -0.031 8.259 8.270 0.033 0.000 0.525 182 V N 5.608 125.501 119.914 -0.035 0.000 2.372 182 V HA 0.057 4.085 4.120 -0.154 0.000 0.261 182 V C -1.722 174.367 176.094 -0.008 0.000 1.055 182 V CA -1.299 60.956 62.300 -0.075 0.000 0.930 182 V CB -1.618 30.248 31.823 0.073 0.000 1.031 182 V HN 0.409 8.493 8.190 -0.177 0.000 0.479 183 Y N 9.667 129.854 120.300 -0.188 0.000 2.464 183 Y HA 0.210 4.774 4.550 0.024 0.000 0.326 183 Y C -2.247 173.578 175.900 -0.126 0.000 0.969 183 Y CA -1.205 56.861 58.100 -0.057 0.000 1.270 183 Y CB 1.530 40.020 38.460 0.051 0.000 1.103 183 Y HN -0.308 7.995 8.280 0.039 0.000 0.491 184 Y N 6.339 126.529 120.300 -0.184 0.000 2.296 184 Y HA 0.197 4.926 4.550 0.014 -0.171 0.271 184 Y C 0.366 176.126 175.900 -0.233 0.000 1.102 184 Y CA 0.341 58.368 58.100 -0.122 0.000 1.147 184 Y CB 1.391 39.795 38.460 -0.093 0.000 1.070 184 Y HN 0.280 8.529 8.280 -0.052 0.000 0.495 185 R N -2.090 118.349 120.500 -0.100 0.000 3.416 185 R HA -0.443 3.833 4.340 -0.107 0.000 0.263 185 R C -0.792 175.500 176.300 -0.014 0.000 1.053 185 R CA 0.575 56.590 56.100 -0.142 0.000 0.705 185 R CB -1.592 28.508 30.300 -0.333 0.000 1.124 185 R HN 0.130 8.392 8.270 -0.013 0.000 0.444 186 M N 0.000 119.619 119.600 0.031 0.000 2.572 186 M HA 0.000 4.501 4.480 0.034 0.000 0.227 186 M CA 0.000 55.325 55.300 0.042 0.000 0.988 186 M CB 0.000 32.614 32.600 0.022 0.000 1.302 186 M HN 0.000 8.315 8.290 0.041 0.000 0.411