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 2ka9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEYEEITLER GNSGLGFSIA GGTDNPHIGD DPSIFITKII PGGAAAQDGR DATA SEQUENCE LRVNDSILFV NEVDVREVTH SAAVEALKEA GSIVRLYVMR RKPPAEKVME DATA SEQUENCE IKLIKGPKGL GFSIAGGVGN QHIPGDNSIY VTKIIEGGAA HKDGRLQIGD DATA SEQUENCE KILAVNSVGL EDVMHEDAVA ALKNTYDVVY LKVAKPSNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.342 4.480 -0.230 0.000 0.227 1 M C 0.000 175.817 176.300 -0.805 0.000 1.140 1 M CA 0.000 55.133 55.300 -0.279 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.029 0.000 1.302 2 E N 2.977 122.722 120.200 -0.759 0.000 2.250 2 E HA 0.317 4.207 4.350 -0.766 0.000 0.269 2 E C -1.923 174.105 176.600 -0.952 0.000 1.018 2 E CA -1.652 54.281 56.400 -0.778 0.000 0.873 2 E CB 2.365 31.880 29.700 -0.308 0.000 1.134 2 E HN 0.014 8.093 8.360 -0.468 0.000 0.403 3 Y N -3.962 116.392 120.300 0.091 0.000 2.519 3 Y HA 0.674 5.509 4.550 0.185 -0.174 0.336 3 Y C -0.498 175.468 175.900 0.109 0.000 1.089 3 Y CA -1.731 56.491 58.100 0.204 0.000 1.025 3 Y CB 4.024 42.676 38.460 0.321 0.000 1.318 3 Y HN 0.036 8.223 8.280 -0.156 0.000 0.452 4 E N -2.581 117.572 120.200 -0.078 0.000 2.389 4 E HA 0.297 4.259 4.350 -0.646 0.000 0.281 4 E C -2.812 173.046 176.600 -1.236 0.000 1.111 4 E CA -0.678 55.326 56.400 -0.659 0.000 0.869 4 E CB 2.952 32.510 29.700 -0.236 0.000 1.259 4 E HN 0.452 8.821 8.360 0.015 0.000 0.434 5 E N -0.474 119.104 120.200 -1.036 0.000 2.227 5 E HA 0.704 4.864 4.350 -0.574 -0.155 0.268 5 E C -0.695 175.757 176.600 -0.247 0.000 0.990 5 E CA -1.197 54.853 56.400 -0.584 0.000 0.856 5 E CB 1.980 31.510 29.700 -0.283 0.000 1.159 5 E HN 0.179 8.095 8.360 -0.740 0.000 0.401 6 I N -0.670 119.824 120.570 -0.127 0.000 2.984 6 I HA 0.185 4.317 4.170 -0.064 0.000 0.303 6 I C -2.348 173.758 176.117 -0.018 0.000 1.381 6 I CA -0.614 60.646 61.300 -0.067 0.000 0.988 6 I CB 5.089 43.049 38.000 -0.067 0.000 1.307 6 I HN 0.755 8.909 8.210 -0.094 0.000 0.460 7 T N 3.445 117.996 114.554 -0.004 0.000 2.770 7 T HA 0.440 4.958 4.350 0.026 -0.152 0.283 7 T C -1.167 173.549 174.700 0.027 0.000 0.988 7 T CA -1.799 60.311 62.100 0.017 0.000 0.957 7 T CB 0.557 69.434 68.868 0.015 0.000 0.930 7 T HN 0.014 8.247 8.240 -0.012 0.000 0.443 8 L N 6.908 128.159 121.223 0.047 0.000 2.356 8 L HA 0.490 5.064 4.340 0.052 -0.203 0.264 8 L C -1.243 175.665 176.870 0.064 0.000 1.029 8 L CA -1.832 53.047 54.840 0.066 0.000 0.897 8 L CB 1.637 43.762 42.059 0.110 0.000 1.256 8 L HN 0.424 8.572 8.230 0.053 0.113 0.444 9 E N 6.019 126.245 120.200 0.043 0.000 2.360 9 E HA -0.136 4.417 4.350 0.034 -0.183 0.269 9 E C -0.794 175.822 176.600 0.027 0.000 1.022 9 E CA -0.416 56.003 56.400 0.032 0.000 0.887 9 E CB 0.987 30.700 29.700 0.022 0.000 0.990 9 E HN 0.035 8.417 8.360 0.036 0.000 0.426 10 R N 5.375 125.886 120.500 0.018 0.000 2.543 10 R HA -0.262 4.075 4.340 -0.005 0.000 0.348 10 R C 0.864 177.163 176.300 -0.002 0.000 0.981 10 R CA 1.177 57.278 56.100 0.001 0.000 1.019 10 R CB -0.611 29.686 30.300 -0.005 0.000 0.944 10 R HN -0.408 7.740 8.270 0.020 0.134 0.425 11 G N 6.192 114.989 108.800 -0.004 0.000 2.485 11 G HA2 -0.294 3.667 3.960 0.001 0.000 0.221 11 G HA3 -0.294 3.662 3.960 -0.006 0.000 0.221 11 G C -0.537 174.357 174.900 -0.009 0.000 1.115 11 G CA 1.676 46.774 45.100 -0.004 0.000 0.751 11 G HN 0.563 8.849 8.290 -0.005 0.000 0.567 12 N N -3.492 115.199 118.700 -0.016 0.000 2.648 12 N HA 0.019 4.753 4.740 -0.011 0.000 0.373 12 N C -0.870 174.627 175.510 -0.022 0.000 0.821 12 N CA 0.142 53.183 53.050 -0.016 0.000 1.805 12 N CB 0.362 38.839 38.487 -0.017 0.000 0.793 12 N HN -0.650 7.681 8.380 -0.021 0.035 1.770 13 S N 3.472 119.154 115.700 -0.031 0.000 2.537 13 S HA 0.239 4.691 4.470 -0.029 0.000 0.246 13 S C -0.818 173.747 174.600 -0.058 0.000 1.036 13 S CA 0.668 58.846 58.200 -0.037 0.000 1.041 13 S CB 0.449 63.629 63.200 -0.033 0.000 0.799 13 S HN 0.008 8.298 8.310 -0.033 0.000 0.456 14 G N -0.830 107.930 108.800 -0.067 0.000 2.361 14 G HA2 -0.112 3.786 3.960 -0.102 0.000 0.305 14 G HA3 -0.112 3.761 3.960 -0.145 0.000 0.305 14 G C -1.353 173.471 174.900 -0.127 0.000 1.367 14 G CA -0.354 44.678 45.100 -0.113 0.000 0.951 14 G HN -0.716 7.470 8.290 -0.050 0.074 0.615 15 L N -0.939 120.154 121.223 -0.217 0.000 2.102 15 L HA 0.114 4.426 4.340 -0.048 0.000 0.202 15 L C 1.035 177.781 176.870 -0.206 0.000 1.076 15 L CA 1.604 56.346 54.840 -0.163 0.000 0.761 15 L CB 0.345 42.369 42.059 -0.059 0.000 0.921 15 L HN 0.166 8.209 8.230 -0.310 0.000 0.444 16 G N -3.818 104.704 108.800 -0.463 0.000 2.858 16 G HA2 -0.267 3.525 3.960 -0.280 0.000 0.272 16 G HA3 -0.267 3.616 3.960 -0.129 0.000 0.272 16 G C -1.583 173.226 174.900 -0.151 0.000 1.003 16 G CA -0.353 44.581 45.100 -0.277 0.000 1.241 16 G HN -0.250 7.585 8.290 -0.758 0.000 0.569 17 F N -2.274 117.671 119.950 -0.008 0.000 2.688 17 F HA 0.544 5.171 4.527 -0.009 -0.106 0.308 17 F C -2.391 173.396 175.800 -0.021 0.000 1.117 17 F CA -2.741 55.251 58.000 -0.013 0.000 0.976 17 F CB 2.272 41.263 39.000 -0.015 0.000 1.291 17 F HN -0.624 7.312 8.300 -0.607 0.000 0.439 18 S N 1.442 117.300 115.700 0.264 0.000 2.437 18 S HA 0.582 5.139 4.470 0.145 0.000 0.305 18 S C -0.809 173.845 174.600 0.089 0.000 1.109 18 S CA -1.364 56.926 58.200 0.149 0.000 1.099 18 S CB 1.292 64.538 63.200 0.076 0.000 1.004 18 S HN 0.829 9.273 8.310 0.223 0.000 0.475 19 I N -0.971 119.629 120.570 0.049 0.000 3.023 19 I HA 0.860 5.036 4.170 -0.183 -0.116 0.312 19 I C -0.987 175.031 176.117 -0.165 0.000 1.056 19 I CA -2.132 59.098 61.300 -0.116 0.000 1.033 19 I CB 3.924 41.843 38.000 -0.134 0.000 1.233 19 I HN 0.267 8.531 8.210 0.091 0.000 0.462 20 A N -0.031 122.585 122.820 -0.341 0.000 2.590 20 A HA 0.427 4.738 4.320 -0.016 0.000 0.294 20 A C -2.158 175.220 177.584 -0.342 0.000 1.046 20 A CA 0.195 52.114 52.037 -0.196 0.000 0.684 20 A CB 2.447 21.454 19.000 0.013 0.000 1.279 20 A HN 0.038 7.893 8.150 -0.492 0.000 0.415 21 G N -1.015 107.759 108.800 -0.043 0.000 2.130 21 G HA2 -0.138 4.040 3.960 0.062 0.000 0.151 21 G HA3 -0.138 3.702 3.960 -0.201 0.000 0.151 21 G C -1.651 173.281 174.900 0.053 0.000 1.173 21 G CA 0.157 45.234 45.100 -0.038 0.000 1.278 21 G HN 0.235 8.618 8.290 0.153 0.000 0.479 22 G N -0.242 108.566 108.800 0.013 0.000 2.742 22 G HA2 -0.196 3.940 3.960 0.022 0.000 0.686 22 G HA3 -0.196 3.858 3.960 0.105 -0.030 0.686 22 G C 0.014 174.945 174.900 0.052 0.000 1.220 22 G CA -0.631 44.500 45.100 0.052 0.000 0.783 22 G HN -0.233 8.038 8.290 -0.032 0.000 0.646 23 T N 0.290 114.866 114.554 0.038 0.000 2.946 23 T HA -0.299 4.201 4.350 0.044 -0.124 0.271 23 T C 0.261 174.983 174.700 0.038 0.000 1.104 23 T CA 3.010 65.131 62.100 0.036 0.000 1.114 23 T CB -0.003 68.877 68.868 0.020 0.000 0.867 23 T HN -0.006 8.189 8.240 0.027 0.062 0.513 24 D N -0.852 119.572 120.400 0.040 0.000 2.290 24 D HA -0.040 4.617 4.640 0.028 0.000 0.224 24 D C -0.429 175.893 176.300 0.036 0.000 0.967 24 D CA 1.016 55.036 54.000 0.033 0.000 0.893 24 D CB 0.388 41.205 40.800 0.027 0.000 1.037 24 D HN -0.197 8.145 8.370 0.046 0.056 0.477 25 N N -1.179 117.548 118.700 0.045 0.000 2.976 25 N HA 0.443 5.206 4.740 0.037 0.000 0.255 25 N C -2.709 172.840 175.510 0.065 0.000 1.312 25 N CA -3.086 49.990 53.050 0.044 0.000 0.897 25 N CB 0.445 38.950 38.487 0.030 0.000 1.184 25 N HN -0.034 8.377 8.380 0.053 0.000 0.497 26 P HA -0.128 4.445 4.420 0.143 -0.067 0.263 26 P C -0.561 176.828 177.300 0.150 0.000 1.175 26 P CA 0.620 63.799 63.100 0.132 0.000 0.761 26 P CB 0.586 32.369 31.700 0.138 0.000 0.794 27 H N 3.468 122.580 119.070 0.072 0.000 2.521 27 H HA -0.222 4.345 4.556 0.019 0.000 0.286 27 H C 0.278 175.738 175.328 0.221 0.000 1.034 27 H CA 2.414 58.492 56.048 0.050 0.000 1.278 27 H CB 0.369 29.965 29.762 -0.278 0.000 1.386 27 H HN 0.514 8.932 8.280 0.230 0.000 0.567 28 I N -6.933 113.871 120.570 0.391 0.000 3.445 28 I HA 0.109 4.385 4.170 0.177 0.000 0.288 28 I C 0.060 176.244 176.117 0.111 0.000 1.198 28 I CA 0.034 61.484 61.300 0.249 0.000 1.417 28 I CB 1.171 39.322 38.000 0.250 0.000 1.205 28 I HN -0.181 8.251 8.210 0.449 0.047 0.448 29 G N -0.218 108.652 108.800 0.116 0.000 2.141 29 G HA2 -0.338 3.658 3.960 0.061 0.000 0.164 29 G HA3 -0.338 3.649 3.960 0.046 0.000 0.164 29 G C -1.028 173.909 174.900 0.061 0.000 1.009 29 G CA 0.139 45.279 45.100 0.067 0.000 0.677 29 G HN -0.134 8.257 8.290 0.168 0.000 0.508 30 D N -2.398 118.049 120.400 0.078 0.000 4.198 30 D HA 0.079 4.748 4.640 0.049 0.000 0.248 30 D C -2.149 174.188 176.300 0.062 0.000 1.482 30 D CA 0.741 54.775 54.000 0.055 0.000 0.784 30 D CB 0.301 41.122 40.800 0.035 0.000 1.375 30 D HN -0.442 7.996 8.370 0.113 0.000 0.821 31 D N -0.018 120.441 120.400 0.099 0.000 2.312 31 D HA 0.288 4.971 4.640 0.072 0.000 0.229 31 D C -1.301 175.083 176.300 0.139 0.000 1.337 31 D CA -1.387 52.679 54.000 0.110 0.000 0.964 31 D CB 1.914 42.782 40.800 0.113 0.000 1.456 31 D HN -0.455 7.984 8.370 0.115 0.000 0.547 32 P HA -0.127 4.338 4.420 0.074 0.000 0.219 32 P C 0.294 177.643 177.300 0.083 0.000 1.146 32 P CA 0.616 63.761 63.100 0.076 0.000 0.808 32 P CB 0.615 32.343 31.700 0.047 0.000 0.779 33 S N -0.938 114.824 115.700 0.104 0.000 2.564 33 S HA -0.094 4.480 4.470 0.057 -0.069 0.278 33 S C -0.059 174.654 174.600 0.188 0.000 1.333 33 S CA -0.224 58.041 58.200 0.108 0.000 1.048 33 S CB 0.638 63.899 63.200 0.102 0.000 0.900 33 S HN -0.622 7.714 8.310 0.102 0.035 0.505 34 I N 3.731 124.353 120.570 0.087 0.000 2.612 34 I HA -0.053 4.068 4.170 -0.082 0.000 0.295 34 I C -0.818 175.353 176.117 0.090 0.000 1.011 34 I CA 0.074 61.364 61.300 -0.017 0.000 1.326 34 I CB 0.820 38.724 38.000 -0.160 0.000 1.427 34 I HN 0.148 8.377 8.210 0.032 0.000 0.537 35 F N -0.311 119.571 119.950 -0.114 0.000 2.664 35 F HA 0.760 5.275 4.527 -0.126 -0.064 0.317 35 F C -2.206 173.484 175.800 -0.183 0.000 1.108 35 F CA -2.537 55.381 58.000 -0.136 0.000 0.957 35 F CB 2.674 41.609 39.000 -0.109 0.000 1.365 35 F HN -0.443 7.340 8.300 -0.861 0.000 0.475 36 I N -1.464 119.101 120.570 -0.008 0.000 2.577 36 I HA 0.253 4.440 4.170 -0.158 -0.111 0.300 36 I C 0.285 176.390 176.117 -0.020 0.000 0.990 36 I CA -0.383 60.865 61.300 -0.087 0.000 1.283 36 I CB 1.887 39.823 38.000 -0.107 0.000 1.411 36 I HN 0.352 8.610 8.210 0.079 0.000 0.515 37 T N 1.962 116.487 114.554 -0.049 0.000 3.038 37 T HA 0.111 4.477 4.350 0.026 0.000 0.244 37 T C -0.199 174.523 174.700 0.037 0.000 1.016 37 T CA 1.044 63.140 62.100 -0.008 0.000 1.098 37 T CB 1.415 70.262 68.868 -0.035 0.000 0.954 37 T HN 0.869 8.967 8.240 -0.050 0.113 0.469 38 K N -1.477 118.950 120.400 0.045 0.000 2.625 38 K HA 0.208 4.558 4.320 0.050 0.000 0.284 38 K C -2.800 173.851 176.600 0.084 0.000 0.984 38 K CA -0.427 55.894 56.287 0.057 0.000 0.865 38 K CB 2.673 35.204 32.500 0.052 0.000 1.468 38 K HN -0.645 7.633 8.250 0.046 0.000 0.407 39 I N -0.504 120.114 120.570 0.079 0.000 2.530 39 I HA 0.215 4.470 4.170 0.141 0.000 0.297 39 I C -0.575 175.579 176.117 0.062 0.000 1.011 39 I CA -1.474 59.886 61.300 0.100 0.000 1.107 39 I CB 1.947 40.010 38.000 0.105 0.000 1.285 39 I HN 0.011 8.257 8.210 0.060 0.000 0.436 40 I N 4.751 125.351 120.570 0.049 0.000 2.371 40 I HA 0.318 4.503 4.170 0.024 0.000 0.290 40 I C -0.866 175.264 176.117 0.020 0.000 1.028 40 I CA -3.017 58.298 61.300 0.024 0.000 1.345 40 I CB -0.061 37.941 38.000 0.004 0.000 1.407 40 I HN -0.205 8.039 8.210 0.057 0.000 0.501 41 P HA -0.042 4.389 4.420 0.018 0.000 0.235 41 P C -1.377 175.927 177.300 0.007 0.000 1.720 41 P CA 0.409 63.518 63.100 0.014 0.000 1.003 41 P CB -1.795 29.912 31.700 0.012 0.000 1.968 42 G N 0.051 108.853 108.800 0.005 0.000 3.680 42 G HA2 0.134 4.093 3.960 -0.001 0.000 0.211 42 G HA3 0.134 4.090 3.960 -0.007 0.000 0.211 42 G C -0.206 174.690 174.900 -0.007 0.000 1.509 42 G CA 0.563 45.661 45.100 -0.003 0.000 0.868 42 G HN 0.345 8.573 8.290 0.008 0.067 0.759 43 G N 0.641 109.431 108.800 -0.016 0.000 2.661 43 G HA2 -0.114 3.827 3.960 -0.031 0.000 0.272 43 G HA3 -0.114 3.992 3.960 -0.049 -0.176 0.272 43 G C 0.043 174.942 174.900 -0.002 0.000 1.296 43 G CA -0.556 44.528 45.100 -0.026 0.000 0.998 43 G HN -0.629 7.650 8.290 -0.019 0.000 0.553 44 A N -1.445 121.375 122.820 0.000 0.000 2.119 44 A HA -0.219 4.112 4.320 0.018 0.000 0.217 44 A C 1.452 179.069 177.584 0.055 0.000 1.153 44 A CA 2.046 54.097 52.037 0.023 0.000 0.692 44 A CB -0.025 18.988 19.000 0.022 0.000 0.799 44 A HN 0.148 8.287 8.150 -0.019 0.000 0.458 45 A N -1.015 121.856 122.820 0.085 0.000 1.845 45 A HA -0.342 4.085 4.320 0.180 0.000 0.215 45 A C 1.598 179.242 177.584 0.101 0.000 1.195 45 A CA 3.348 55.482 52.037 0.162 0.000 0.616 45 A CB -0.911 18.282 19.000 0.321 0.000 0.832 45 A HN 0.686 8.700 8.150 0.051 0.166 0.443 46 A N -3.477 119.388 122.820 0.075 0.000 2.019 46 A HA -0.395 3.957 4.320 0.053 0.000 0.219 46 A C 1.729 179.333 177.584 0.034 0.000 1.164 46 A CA 2.365 54.432 52.037 0.050 0.000 0.644 46 A CB -0.800 18.223 19.000 0.039 0.000 0.805 46 A HN 0.434 8.626 8.150 0.071 0.000 0.449 47 Q N -2.109 117.710 119.800 0.031 0.000 2.083 47 Q HA -0.240 4.110 4.340 0.017 0.000 0.198 47 Q C 1.946 177.959 176.000 0.021 0.000 0.969 47 Q CA 2.398 58.214 55.803 0.022 0.000 0.838 47 Q CB 0.016 28.765 28.738 0.018 0.000 0.900 47 Q HN -0.485 7.682 8.270 0.036 0.125 0.436 48 D N -2.264 118.154 120.400 0.030 0.000 2.194 48 D HA -0.015 4.635 4.640 0.017 0.000 0.204 48 D C 1.296 177.607 176.300 0.018 0.000 0.964 48 D CA 1.107 55.122 54.000 0.024 0.000 0.846 48 D CB 1.061 41.882 40.800 0.035 0.000 0.962 48 D HN 0.111 8.311 8.370 0.041 0.194 0.490 49 G N -0.658 108.157 108.800 0.024 0.000 2.471 49 G HA2 -0.430 3.542 3.960 0.020 0.000 0.301 49 G HA3 -0.430 3.537 3.960 0.013 0.000 0.301 49 G C -0.031 174.869 174.900 0.000 0.000 0.902 49 G CA 1.405 46.514 45.100 0.015 0.000 1.002 49 G HN 0.308 8.411 8.290 0.037 0.209 0.509 50 R N -2.670 117.827 120.500 -0.005 0.000 2.449 50 R HA -0.040 4.287 4.340 -0.021 0.000 0.262 50 R C -1.422 174.858 176.300 -0.034 0.000 1.006 50 R CA 0.063 56.151 56.100 -0.021 0.000 1.104 50 R CB -0.160 30.125 30.300 -0.025 0.000 1.206 50 R HN 0.045 8.301 8.270 0.003 0.016 0.538 51 L N -9.250 111.955 121.223 -0.030 0.000 3.133 51 L HA 0.248 4.563 4.340 -0.042 0.000 0.280 51 L C -2.744 174.108 176.870 -0.031 0.000 1.009 51 L CA -0.793 54.023 54.840 -0.039 0.000 0.982 51 L CB 1.521 43.547 42.059 -0.055 0.000 1.530 51 L HN -0.642 7.477 8.230 -0.018 0.100 0.394 52 R N -0.636 119.844 120.500 -0.033 0.000 2.674 52 R HA 0.406 4.738 4.340 -0.014 0.000 0.266 52 R C 1.172 177.458 176.300 -0.024 0.000 1.016 52 R CA -0.883 55.204 56.100 -0.022 0.000 1.062 52 R CB 1.787 32.073 30.300 -0.023 0.000 1.142 52 R HN 0.144 8.391 8.270 -0.038 0.000 0.517 53 V N -0.418 119.492 119.914 -0.006 0.000 2.323 53 V HA -0.251 3.853 4.120 -0.027 0.000 0.244 53 V C 0.618 176.734 176.094 0.036 0.000 1.041 53 V CA 2.730 65.032 62.300 0.003 0.000 1.025 53 V CB -0.120 31.718 31.823 0.024 0.000 0.656 53 V HN 0.297 8.488 8.190 0.002 0.000 0.451 54 N N -3.055 115.665 118.700 0.033 0.000 2.627 54 N HA -0.194 4.714 4.740 0.114 -0.100 0.196 54 N C -0.305 175.192 175.510 -0.022 0.000 1.268 54 N CA 0.872 53.934 53.050 0.021 0.000 0.904 54 N CB -0.809 37.656 38.487 -0.036 0.000 1.016 54 N HN 0.064 8.454 8.380 0.016 0.000 0.448 55 D N -2.486 117.917 120.400 0.005 0.000 2.414 55 D HA -0.093 4.587 4.640 -0.026 -0.056 0.251 55 D C -1.359 174.970 176.300 0.048 0.000 1.252 55 D CA -0.427 53.572 54.000 -0.002 0.000 0.999 55 D CB 0.911 41.703 40.800 -0.014 0.000 1.093 55 D HN -0.845 7.404 8.370 0.008 0.126 0.515 56 S N -1.738 113.994 115.700 0.052 0.000 2.718 56 S HA 0.375 5.081 4.470 0.123 -0.162 0.294 56 S C 0.331 174.984 174.600 0.089 0.000 1.157 56 S CA -2.057 56.196 58.200 0.088 0.000 1.121 56 S CB 0.995 64.245 63.200 0.083 0.000 1.015 56 S HN 0.204 8.413 8.310 0.044 0.127 0.479 57 I N 5.630 126.232 120.570 0.053 0.000 2.886 57 I HA -0.190 4.105 4.170 0.085 -0.074 0.293 57 I C -0.836 175.339 176.117 0.096 0.000 1.157 57 I CA 0.771 62.105 61.300 0.057 0.000 1.472 57 I CB -1.438 36.552 38.000 -0.017 0.000 1.492 57 I HN -0.020 8.208 8.210 0.030 0.000 0.652 58 L N 4.931 126.266 121.223 0.188 0.000 2.187 58 L HA -0.268 4.154 4.340 0.136 0.000 0.213 58 L C -0.130 176.902 176.870 0.270 0.000 1.100 58 L CA 2.535 57.497 54.840 0.203 0.000 0.765 58 L CB 0.244 42.432 42.059 0.214 0.000 0.904 58 L HN -0.318 8.054 8.230 0.237 0.000 0.437 59 F N -4.718 115.285 119.950 0.088 0.000 2.703 59 F HA 0.222 4.873 4.527 0.035 -0.103 0.308 59 F C -2.223 173.621 175.800 0.074 0.000 1.126 59 F CA -0.430 57.609 58.000 0.065 0.000 0.959 59 F CB 4.875 43.909 39.000 0.057 0.000 1.297 59 F HN -0.143 8.222 8.300 0.314 0.122 0.441 60 V N 0.530 120.527 119.914 0.139 0.000 2.733 60 V HA 0.416 4.625 4.120 0.148 0.000 0.306 60 V C -0.546 175.632 176.094 0.141 0.000 1.084 60 V CA -1.784 60.585 62.300 0.115 0.000 0.905 60 V CB 2.878 34.713 31.823 0.019 0.000 1.010 60 V HN 0.105 8.261 8.190 -0.058 0.000 0.424 61 N N 4.749 123.535 118.700 0.143 0.000 2.710 61 N HA -0.374 4.433 4.740 0.112 0.000 0.249 61 N C -0.720 174.890 175.510 0.168 0.000 1.059 61 N CA 1.235 54.360 53.050 0.125 0.000 0.720 61 N CB -1.222 37.316 38.487 0.084 0.000 0.983 61 N HN 0.663 9.123 8.380 0.133 0.000 0.544 62 E N -7.425 112.941 120.200 0.277 0.000 2.637 62 E HA -0.374 4.204 4.350 0.380 0.000 0.265 62 E C -1.575 175.304 176.600 0.465 0.000 1.073 62 E CA 1.065 57.672 56.400 0.345 0.000 0.778 62 E CB -1.216 28.579 29.700 0.158 0.000 1.362 62 E HN 0.250 8.778 8.360 0.306 0.016 0.413 63 V N -0.865 119.252 119.914 0.339 0.000 2.680 63 V HA 0.150 4.337 4.120 0.111 0.000 0.309 63 V C -1.025 174.594 176.094 -0.792 0.000 1.052 63 V CA -2.551 59.735 62.300 -0.022 0.000 0.908 63 V CB 2.198 33.990 31.823 -0.051 0.000 1.001 63 V HN -0.052 8.196 8.190 0.335 0.143 0.431 64 D N 4.941 124.949 120.400 -0.653 0.000 2.346 64 D HA -0.148 3.431 4.640 -1.769 0.000 0.267 64 D C -1.252 174.714 176.300 -0.557 0.000 1.320 64 D CA 0.691 54.184 54.000 -0.845 0.000 0.951 64 D CB -1.071 39.578 40.800 -0.253 0.000 1.079 64 D HN 0.303 8.535 8.370 -0.230 0.000 0.509 65 V N 2.040 121.569 119.914 -0.642 0.000 2.711 65 V HA 0.203 4.190 4.120 -0.223 0.000 0.335 65 V C -0.833 175.146 176.094 -0.193 0.000 1.235 65 V CA -1.284 60.832 62.300 -0.307 0.000 1.250 65 V CB 0.525 32.206 31.823 -0.237 0.000 1.469 65 V HN -0.426 7.138 8.190 -1.043 0.000 0.646 66 R N 0.443 120.848 120.500 -0.159 0.000 2.335 66 R HA 0.068 4.397 4.340 -0.018 0.000 0.210 66 R C -1.135 175.156 176.300 -0.014 0.000 0.892 66 R CA 0.856 56.928 56.100 -0.046 0.000 1.048 66 R CB 1.537 31.836 30.300 -0.003 0.000 1.067 66 R HN -0.189 7.960 8.270 -0.201 0.000 0.524 67 E N -4.151 116.030 120.200 -0.032 0.000 3.887 67 E HA 0.066 4.500 4.350 0.013 -0.076 0.210 67 E C -2.359 174.233 176.600 -0.014 0.000 1.087 67 E CA -0.676 55.721 56.400 -0.005 0.000 1.464 67 E CB 0.329 30.034 29.700 0.008 0.000 1.200 67 E HN -0.592 7.728 8.360 -0.067 0.000 0.387 68 V N -4.553 115.343 119.914 -0.030 0.000 2.715 68 V HA 0.376 4.488 4.120 -0.014 0.000 0.310 68 V C 0.385 176.475 176.094 -0.008 0.000 1.054 68 V CA -2.012 60.272 62.300 -0.025 0.000 0.928 68 V CB 2.229 34.022 31.823 -0.049 0.000 1.007 68 V HN -0.577 7.587 8.190 -0.044 0.000 0.437 69 T N 0.975 115.536 114.554 0.012 0.000 2.906 69 T HA -0.178 4.203 4.350 0.047 -0.002 0.329 69 T C 0.687 175.428 174.700 0.069 0.000 1.091 69 T CA 0.499 62.624 62.100 0.041 0.000 1.127 69 T CB 0.582 69.474 68.868 0.040 0.000 1.035 69 T HN 0.279 8.523 8.240 0.008 0.000 0.547 70 H N 4.251 123.309 119.070 -0.019 0.000 2.319 70 H HA -0.480 4.056 4.556 -0.033 0.000 0.297 70 H C 1.660 176.978 175.328 -0.018 0.000 1.097 70 H CA 4.612 60.645 56.048 -0.024 0.000 1.285 70 H CB 0.123 29.871 29.762 -0.023 0.000 1.368 70 H HN 0.703 9.086 8.280 0.171 0.000 0.495 71 S N -1.369 114.470 115.700 0.232 0.000 2.392 71 S HA -0.391 4.185 4.470 0.177 0.000 0.232 71 S C 1.238 175.894 174.600 0.093 0.000 1.041 71 S CA 3.432 61.716 58.200 0.140 0.000 1.026 71 S CB -0.384 62.848 63.200 0.052 0.000 0.845 71 S HN 0.223 8.635 8.310 0.169 0.000 0.465 72 A N -0.598 122.255 122.820 0.056 0.000 1.968 72 A HA 0.040 4.540 4.320 0.015 -0.171 0.217 72 A C 1.421 179.002 177.584 -0.006 0.000 1.169 72 A CA 2.274 54.320 52.037 0.014 0.000 0.638 72 A CB -0.553 18.442 19.000 -0.007 0.000 0.812 72 A HN -0.362 7.701 8.150 0.061 0.124 0.446 73 A N -0.430 122.377 122.820 -0.021 0.000 1.897 73 A HA -0.184 4.091 4.320 -0.074 0.000 0.215 73 A C 1.920 179.481 177.584 -0.037 0.000 1.181 73 A CA 2.699 54.690 52.037 -0.076 0.000 0.620 73 A CB -0.754 18.136 19.000 -0.184 0.000 0.821 73 A HN -0.312 7.695 8.150 0.001 0.143 0.443 74 V N -1.427 118.501 119.914 0.024 0.000 2.427 74 V HA -0.537 3.614 4.120 0.052 0.000 0.248 74 V C 1.789 177.915 176.094 0.053 0.000 1.051 74 V CA 4.219 66.564 62.300 0.075 0.000 1.048 74 V CB 0.065 32.001 31.823 0.189 0.000 0.666 74 V HN 0.557 8.793 8.190 0.078 0.000 0.456 75 E N -0.742 119.484 120.200 0.042 0.000 2.150 75 E HA -0.311 4.057 4.350 0.030 0.000 0.193 75 E C 2.037 178.649 176.600 0.020 0.000 0.985 75 E CA 3.072 59.489 56.400 0.028 0.000 0.814 75 E CB -0.315 29.398 29.700 0.022 0.000 0.752 75 E HN -0.435 7.852 8.360 0.048 0.101 0.466 76 A N -0.792 122.035 122.820 0.011 0.000 1.898 76 A HA -0.235 4.090 4.320 0.009 0.000 0.216 76 A C 1.239 178.841 177.584 0.031 0.000 1.181 76 A CA 3.100 55.142 52.037 0.008 0.000 0.620 76 A CB -0.185 18.803 19.000 -0.020 0.000 0.819 76 A HN -0.431 7.594 8.150 0.004 0.128 0.442 77 L N -5.929 115.320 121.223 0.043 0.000 2.240 77 L HA -0.098 4.296 4.340 0.089 0.000 0.211 77 L C 2.402 179.301 176.870 0.049 0.000 1.106 77 L CA 2.425 57.309 54.840 0.073 0.000 0.793 77 L CB -0.583 41.544 42.059 0.114 0.000 0.927 77 L HN -0.547 7.703 8.230 0.033 0.000 0.446 78 K N 0.507 120.929 120.400 0.037 0.000 2.097 78 K HA -0.244 4.088 4.320 0.020 0.000 0.205 78 K C 1.301 177.915 176.600 0.023 0.000 1.050 78 K CA 2.809 59.111 56.287 0.026 0.000 0.938 78 K CB -0.293 32.222 32.500 0.025 0.000 0.718 78 K HN -0.040 8.009 8.250 0.037 0.223 0.442 79 E N -2.238 117.978 120.200 0.026 0.000 2.496 79 E HA 0.107 4.471 4.350 0.022 0.000 0.202 79 E C -0.529 176.090 176.600 0.033 0.000 1.021 79 E CA -1.119 55.297 56.400 0.026 0.000 1.015 79 E CB 0.110 29.823 29.700 0.023 0.000 1.102 79 E HN -0.542 7.728 8.360 0.028 0.107 0.452 80 A N -1.925 120.918 122.820 0.039 0.000 2.016 80 A HA -0.027 4.472 4.320 0.053 -0.147 0.217 80 A C 0.099 177.709 177.584 0.044 0.000 1.162 80 A CA 1.642 53.709 52.037 0.051 0.000 0.662 80 A CB 0.861 19.904 19.000 0.071 0.000 0.812 80 A HN -0.600 7.387 8.150 0.038 0.185 0.450 81 G N -3.536 105.284 108.800 0.033 0.000 3.226 81 G HA2 -0.415 3.557 3.960 0.020 0.000 0.270 81 G HA3 -0.415 3.562 3.960 0.028 0.000 0.270 81 G C -0.251 174.662 174.900 0.023 0.000 1.592 81 G CA 1.337 46.453 45.100 0.026 0.000 1.055 81 G HN -0.143 8.143 8.290 0.029 0.022 0.582 82 S N 2.074 117.791 115.700 0.028 0.000 3.718 82 S HA 0.088 4.570 4.470 0.020 0.000 0.238 82 S C -0.944 173.677 174.600 0.035 0.000 1.136 82 S CA 1.029 59.244 58.200 0.024 0.000 0.950 82 S CB 2.226 65.435 63.200 0.016 0.000 1.096 82 S HN -0.219 8.110 8.310 0.032 0.000 0.467 83 I N 2.275 122.866 120.570 0.034 0.000 2.257 83 I HA 0.105 4.414 4.170 0.039 -0.115 0.290 83 I C -1.259 174.885 176.117 0.046 0.000 1.137 83 I CA -1.244 60.078 61.300 0.037 0.000 1.255 83 I CB -1.208 36.809 38.000 0.028 0.000 1.485 83 I HN -0.475 7.754 8.210 0.030 0.000 0.534 84 V N 2.103 122.053 119.914 0.060 0.000 2.405 84 V HA 0.145 4.304 4.120 0.066 0.000 0.264 84 V C -0.424 175.707 176.094 0.062 0.000 1.048 84 V CA -1.003 61.339 62.300 0.069 0.000 0.966 84 V CB 0.592 32.470 31.823 0.092 0.000 1.015 84 V HN -0.308 7.838 8.190 0.066 0.083 0.477 85 R N 8.475 129.013 120.500 0.063 0.000 3.235 85 R HA 0.311 4.909 4.340 0.040 -0.234 0.232 85 R C -0.700 175.653 176.300 0.089 0.000 1.475 85 R CA -1.018 55.117 56.100 0.058 0.000 1.405 85 R CB -0.771 29.561 30.300 0.053 0.000 1.266 85 R HN 0.401 8.710 8.270 0.066 0.000 0.650 86 L N -0.539 120.732 121.223 0.080 0.000 2.360 86 L HA 0.646 5.131 4.340 0.188 -0.033 0.271 86 L C -2.137 174.811 176.870 0.130 0.000 1.057 86 L CA -1.849 53.066 54.840 0.125 0.000 0.803 86 L CB 1.987 44.093 42.059 0.078 0.000 1.207 86 L HN -0.161 8.067 8.230 0.052 0.034 0.445 87 Y N 2.225 122.593 120.300 0.113 0.000 2.342 87 Y HA 0.438 5.177 4.550 0.072 -0.146 0.338 87 Y C -1.107 174.853 175.900 0.101 0.000 0.965 87 Y CA -1.474 56.687 58.100 0.102 0.000 1.159 87 Y CB 1.428 39.956 38.460 0.113 0.000 1.157 87 Y HN 0.723 9.086 8.280 0.369 0.139 0.486 88 V N -0.149 119.886 119.914 0.203 0.000 3.093 88 V HA 0.538 4.963 4.120 0.195 -0.188 0.320 88 V C -2.069 174.175 176.094 0.250 0.000 1.093 88 V CA -3.085 59.321 62.300 0.177 0.000 1.016 88 V CB 3.818 35.661 31.823 0.034 0.000 1.096 88 V HN 0.593 8.764 8.190 -0.031 0.000 0.452 89 M N 1.434 121.143 119.600 0.182 0.000 2.090 89 M HA 0.505 5.248 4.480 0.192 -0.147 0.277 89 M C -2.351 173.970 176.300 0.035 0.000 0.935 89 M CA -0.604 54.803 55.300 0.178 0.000 0.966 89 M CB 2.793 35.571 32.600 0.297 0.000 1.635 89 M HN -0.026 8.234 8.290 0.129 0.106 0.446 90 R N 7.006 127.476 120.500 -0.051 0.000 2.288 90 R HA 0.377 4.686 4.340 -0.052 0.000 0.326 90 R C -1.251 174.974 176.300 -0.125 0.000 0.959 90 R CA -1.567 54.489 56.100 -0.075 0.000 0.834 90 R CB 2.414 32.674 30.300 -0.067 0.000 1.157 90 R HN 0.050 8.271 8.270 -0.082 0.000 0.470 91 R N 7.043 127.483 120.500 -0.101 0.000 2.590 91 R HA -0.152 4.103 4.340 -0.142 0.000 0.274 91 R C -0.560 175.686 176.300 -0.091 0.000 1.061 91 R CA 0.516 56.553 56.100 -0.104 0.000 1.081 91 R CB 0.271 30.529 30.300 -0.071 0.000 0.984 91 R HN 0.384 8.607 8.270 -0.078 0.000 0.448 92 K N 2.193 122.539 120.400 -0.090 0.000 2.344 92 K HA -0.143 4.134 4.320 -0.071 0.000 0.260 92 K C -0.949 175.623 176.600 -0.047 0.000 0.988 92 K CA -0.506 55.741 56.287 -0.066 0.000 0.909 92 K CB -0.445 32.021 32.500 -0.056 0.000 0.968 92 K HN 0.194 8.384 8.250 -0.101 0.000 0.505 93 P HA 0.199 4.602 4.420 -0.027 0.000 0.269 93 P C -2.212 175.076 177.300 -0.019 0.000 1.209 93 P CA -0.978 62.107 63.100 -0.026 0.000 0.776 93 P CB -0.834 30.854 31.700 -0.020 0.000 0.876 94 P HA 0.053 4.468 4.420 -0.009 0.000 0.306 94 P C -1.364 175.935 177.300 -0.003 0.000 1.301 94 P CA -0.867 62.228 63.100 -0.008 0.000 0.744 94 P CB 0.932 32.628 31.700 -0.007 0.000 1.400 95 A N -2.963 119.859 122.820 0.003 0.000 2.519 95 A HA 0.183 4.506 4.320 0.004 0.000 0.236 95 A C -1.729 175.861 177.584 0.010 0.000 0.875 95 A CA 0.324 52.365 52.037 0.007 0.000 1.172 95 A CB 0.803 19.808 19.000 0.009 0.000 1.211 95 A HN 0.114 8.346 8.150 0.005 -0.079 0.454 96 E N 0.397 120.603 120.200 0.010 0.000 2.105 96 E HA -0.035 4.502 4.350 0.017 -0.177 0.285 96 E C -1.202 175.403 176.600 0.009 0.000 1.055 96 E CA -0.328 56.080 56.400 0.013 0.000 0.843 96 E CB -0.192 29.516 29.700 0.014 0.000 1.067 96 E HN -0.302 8.063 8.360 0.007 0.000 0.398 97 K N 6.667 127.071 120.400 0.007 0.000 2.523 97 K HA 0.262 4.585 4.320 0.005 0.000 0.257 97 K C -2.272 174.329 176.600 0.001 0.000 0.932 97 K CA -0.875 55.414 56.287 0.004 0.000 0.812 97 K CB 3.777 36.279 32.500 0.002 0.000 1.326 97 K HN -0.082 8.172 8.250 0.007 0.000 0.433 98 V N 5.142 125.058 119.914 0.002 0.000 2.350 98 V HA 0.370 4.619 4.120 -0.003 -0.130 0.276 98 V C -0.720 175.375 176.094 0.001 0.000 1.028 98 V CA -1.768 60.532 62.300 0.001 0.000 0.860 98 V CB 0.848 32.673 31.823 0.004 0.000 0.990 98 V HN 0.388 8.580 8.190 0.003 0.000 0.453 99 M N 9.487 129.086 119.600 -0.001 0.000 2.371 99 M HA 0.273 4.756 4.480 0.005 0.000 0.301 99 M C -1.462 174.846 176.300 0.013 0.000 1.173 99 M CA -0.360 54.942 55.300 0.004 0.000 1.020 99 M CB 2.633 35.232 32.600 -0.001 0.000 1.490 99 M HN 0.860 9.030 8.290 -0.007 0.116 0.485 100 E N -0.021 120.193 120.200 0.024 0.000 2.279 100 E HA 0.489 5.011 4.350 0.051 -0.141 0.252 100 E C -1.372 175.270 176.600 0.069 0.000 0.894 100 E CA -1.057 55.372 56.400 0.049 0.000 0.785 100 E CB 1.176 30.902 29.700 0.044 0.000 1.237 100 E HN 0.134 8.507 8.360 0.022 0.000 0.418 101 I N 3.681 124.290 120.570 0.065 0.000 2.750 101 I HA 0.306 4.499 4.170 0.039 0.000 0.308 101 I C -1.372 174.758 176.117 0.022 0.000 1.016 101 I CA -2.474 58.848 61.300 0.036 0.000 1.098 101 I CB 3.573 41.569 38.000 -0.005 0.000 1.279 101 I HN 0.786 9.031 8.210 0.058 0.000 0.454 102 K N 3.121 123.487 120.400 -0.055 0.000 2.265 102 K HA 0.289 4.551 4.320 -0.315 -0.131 0.267 102 K C -1.568 174.912 176.600 -0.200 0.000 0.994 102 K CA -0.582 55.574 56.287 -0.218 0.000 0.860 102 K CB 1.399 33.732 32.500 -0.278 0.000 1.099 102 K HN 0.422 8.649 8.250 -0.039 0.000 0.448 103 L N 4.218 125.304 121.223 -0.228 0.000 2.372 103 L HA 0.515 4.736 4.340 -0.199 0.000 0.274 103 L C -2.366 174.384 176.870 -0.200 0.000 0.988 103 L CA -1.481 53.228 54.840 -0.218 0.000 0.833 103 L CB 3.660 45.557 42.059 -0.269 0.000 1.236 103 L HN 0.874 8.843 8.230 -0.258 0.107 0.410 104 I N 1.025 121.493 120.570 -0.170 0.000 2.440 104 I HA 0.402 4.537 4.170 -0.127 -0.041 0.294 104 I C -1.540 174.501 176.117 -0.126 0.000 0.995 104 I CA -1.793 59.426 61.300 -0.134 0.000 1.306 104 I CB 2.036 39.970 38.000 -0.109 0.000 1.407 104 I HN 0.228 8.341 8.210 -0.162 0.000 0.501 105 K N 4.603 124.934 120.400 -0.114 0.000 2.258 105 K HA -0.152 4.113 4.320 -0.092 0.000 0.264 105 K C -0.489 176.060 176.600 -0.084 0.000 1.007 105 K CA 0.389 56.615 56.287 -0.100 0.000 0.941 105 K CB 0.762 33.193 32.500 -0.115 0.000 0.966 105 K HN 0.095 8.116 8.250 -0.116 0.159 0.480 106 G N 2.008 110.773 108.800 -0.057 0.000 2.605 106 G HA2 0.444 4.374 3.960 -0.050 0.000 0.296 106 G HA3 0.444 4.408 3.960 -0.030 -0.022 0.296 106 G C -1.709 173.174 174.900 -0.029 0.000 1.304 106 G CA -2.222 42.853 45.100 -0.041 0.000 0.941 106 G HN -0.218 7.947 8.290 -0.045 0.098 0.475 107 P HA -0.145 4.260 4.420 -0.025 0.000 0.216 107 P C 0.055 177.352 177.300 -0.006 0.000 1.150 107 P CA 1.682 64.771 63.100 -0.018 0.000 0.843 107 P CB 0.266 31.956 31.700 -0.016 0.000 0.787 108 K N -4.414 115.987 120.400 0.002 0.000 2.500 108 K HA 0.117 4.443 4.320 0.010 0.000 0.206 108 K C 0.031 176.648 176.600 0.028 0.000 1.034 108 K CA -0.425 55.870 56.287 0.013 0.000 1.179 108 K CB -0.423 32.087 32.500 0.016 0.000 0.884 108 K HN 0.022 8.258 8.250 0.000 0.015 0.493 109 G N 0.226 109.040 108.800 0.024 0.000 2.472 109 G HA2 -0.292 3.691 3.960 0.037 0.000 0.205 109 G HA3 -0.292 3.715 3.960 0.077 0.000 0.205 109 G C -1.767 173.160 174.900 0.044 0.000 1.270 109 G CA -0.399 44.730 45.100 0.049 0.000 0.974 109 G HN -0.053 8.020 8.290 0.007 0.221 0.542 110 L N 3.241 124.523 121.223 0.098 0.000 2.509 110 L HA 0.041 4.334 4.340 -0.079 0.000 0.222 110 L C 1.090 177.961 176.870 0.001 0.000 1.123 110 L CA -0.297 54.528 54.840 -0.025 0.000 0.856 110 L CB 0.484 42.420 42.059 -0.205 0.000 0.985 110 L HN 0.206 8.552 8.230 0.195 0.000 0.456 111 G N -1.430 107.473 108.800 0.171 0.000 2.417 111 G HA2 -0.384 3.657 3.960 0.134 0.000 0.291 111 G HA3 -0.384 3.625 3.960 0.080 0.000 0.291 111 G C -1.518 173.552 174.900 0.283 0.000 1.094 111 G CA -0.048 45.146 45.100 0.156 0.000 1.146 111 G HN 0.061 8.428 8.290 0.205 0.046 0.519 112 F N -4.089 115.836 119.950 -0.041 0.000 2.765 112 F HA 0.378 4.965 4.527 -0.076 -0.106 0.313 112 F C -2.980 172.790 175.800 -0.050 0.000 1.136 112 F CA -3.317 54.649 58.000 -0.057 0.000 0.952 112 F CB 0.917 39.883 39.000 -0.056 0.000 1.268 112 F HN -0.774 7.792 8.300 0.443 0.000 0.441 113 S N 2.765 118.302 115.700 -0.271 0.000 2.438 113 S HA 0.550 4.758 4.470 -0.436 0.000 0.316 113 S C -1.716 172.614 174.600 -0.449 0.000 1.084 113 S CA -1.562 56.417 58.200 -0.368 0.000 1.107 113 S CB 0.663 63.756 63.200 -0.178 0.000 0.981 113 S HN 0.873 9.013 8.310 -0.099 0.110 0.466 114 I N 1.786 122.014 120.570 -0.570 0.000 2.865 114 I HA 0.942 5.016 4.170 -0.369 -0.126 0.302 114 I C -2.050 173.890 176.117 -0.296 0.000 1.140 114 I CA -2.440 58.602 61.300 -0.431 0.000 1.021 114 I CB 4.469 42.202 38.000 -0.445 0.000 1.233 114 I HN 0.144 7.981 8.210 -0.620 0.000 0.427 115 A N 2.190 124.862 122.820 -0.246 0.000 2.456 115 A HA 0.535 4.816 4.320 -0.066 0.000 0.288 115 A C -2.095 175.498 177.584 0.016 0.000 1.042 115 A CA -0.391 51.584 52.037 -0.103 0.000 0.738 115 A CB 2.805 21.763 19.000 -0.070 0.000 1.266 115 A HN 0.696 8.659 8.150 -0.312 0.000 0.407 116 G N -0.910 107.934 108.800 0.073 0.000 2.721 116 G HA2 0.633 4.849 3.960 0.135 0.000 0.296 116 G HA3 0.633 4.665 3.960 0.121 0.000 0.296 116 G C -1.654 173.320 174.900 0.123 0.000 1.383 116 G CA -1.017 44.152 45.100 0.116 0.000 0.788 116 G HN -0.131 8.199 8.290 0.067 0.000 0.500 117 G N -2.586 106.277 108.800 0.105 0.000 2.796 117 G HA2 -0.370 3.631 3.960 0.068 0.000 0.571 117 G HA3 -0.370 3.640 3.960 0.084 0.000 0.571 117 G C -1.883 173.078 174.900 0.101 0.000 1.370 117 G CA -0.539 44.614 45.100 0.089 0.000 0.856 117 G HN -0.022 8.212 8.290 0.103 0.118 0.538 118 V N 0.147 120.103 119.914 0.071 0.000 2.924 118 V HA -0.208 3.956 4.120 0.073 0.000 0.305 118 V C 1.081 177.276 176.094 0.168 0.000 1.073 118 V CA 1.850 64.196 62.300 0.077 0.000 1.098 118 V CB -0.351 31.491 31.823 0.031 0.000 1.000 118 V HN 0.097 8.311 8.190 0.040 0.000 0.484 119 G N 5.979 114.883 108.800 0.173 0.000 2.320 119 G HA2 -0.476 3.581 3.960 0.161 0.000 0.242 119 G HA3 -0.476 3.741 3.960 0.429 0.000 0.242 119 G C -0.657 174.358 174.900 0.192 0.000 1.033 119 G CA 0.890 46.153 45.100 0.271 0.000 0.620 119 G HN 0.548 8.901 8.290 0.104 0.000 0.517 120 N N -1.029 117.795 118.700 0.208 0.000 2.805 120 N HA 0.151 4.866 4.740 -0.042 0.000 0.216 120 N C -1.542 174.009 175.510 0.068 0.000 1.447 120 N CA 0.210 53.251 53.050 -0.015 0.000 0.785 120 N CB 1.230 39.491 38.487 -0.377 0.000 1.458 120 N HN -0.518 7.930 8.380 0.313 0.120 0.547 121 Q N -2.634 117.205 119.800 0.064 0.000 2.515 121 Q HA -0.221 4.245 4.340 0.097 -0.068 0.212 121 Q C 1.063 177.126 176.000 0.105 0.000 0.970 121 Q CA 1.405 57.251 55.803 0.070 0.000 0.941 121 Q CB -0.113 28.641 28.738 0.027 0.000 0.998 121 Q HN 0.072 8.368 8.270 0.044 0.000 0.518 122 H N -2.884 116.155 119.070 -0.050 0.000 4.905 122 H HA -0.418 4.099 4.556 -0.065 0.000 0.065 122 H C -0.984 174.287 175.328 -0.095 0.000 0.584 122 H CA 2.836 58.845 56.048 -0.065 0.000 0.984 122 H CB -0.988 28.750 29.762 -0.040 0.000 0.446 122 H HN 0.099 8.328 8.280 0.052 0.083 0.786 123 I N 1.729 122.146 120.570 -0.255 0.000 2.428 123 I HA 0.237 4.123 4.170 -0.474 0.000 0.289 123 I C -1.212 174.782 176.117 -0.205 0.000 1.019 123 I CA -2.580 58.515 61.300 -0.343 0.000 1.351 123 I CB 0.290 38.059 38.000 -0.384 0.000 1.412 123 I HN 0.010 8.096 8.210 -0.044 0.098 0.513 124 P HA -0.046 4.314 4.420 -0.099 0.000 0.235 124 P C -0.719 176.526 177.300 -0.092 0.000 1.720 124 P CA 0.010 63.039 63.100 -0.117 0.000 1.003 124 P CB -2.157 29.479 31.700 -0.106 0.000 1.968 125 G N 1.955 110.703 108.800 -0.086 0.000 2.587 125 G HA2 -0.235 3.700 3.960 -0.042 0.000 0.216 125 G HA3 -0.235 3.691 3.960 -0.056 0.000 0.216 125 G C -1.914 172.945 174.900 -0.068 0.000 1.124 125 G CA -0.019 45.044 45.100 -0.061 0.000 0.858 125 G HN 0.215 8.380 8.290 -0.092 0.070 0.523 126 D N -0.380 119.980 120.400 -0.066 0.000 2.266 126 D HA 0.011 4.641 4.640 -0.017 0.000 0.218 126 D C -1.348 174.947 176.300 -0.007 0.000 1.311 126 D CA -0.155 53.812 54.000 -0.055 0.000 0.918 126 D CB 1.736 42.438 40.800 -0.165 0.000 1.530 126 D HN -0.530 7.806 8.370 -0.056 0.000 0.514 127 N N 1.602 120.321 118.700 0.031 0.000 2.443 127 N HA -0.309 4.463 4.740 0.053 0.000 0.184 127 N C 0.488 176.057 175.510 0.098 0.000 1.037 127 N CA 1.840 54.924 53.050 0.057 0.000 0.896 127 N CB 0.325 38.842 38.487 0.050 0.000 0.959 127 N HN 0.147 8.544 8.380 0.027 0.000 0.442 128 S N -1.176 114.607 115.700 0.139 0.000 2.566 128 S HA -0.270 4.301 4.470 0.167 0.000 0.280 128 S C -0.698 174.085 174.600 0.305 0.000 1.343 128 S CA 1.651 59.991 58.200 0.233 0.000 1.036 128 S CB 0.522 63.949 63.200 0.377 0.000 0.866 128 S HN -0.494 7.836 8.310 0.117 0.051 0.526 129 I N 3.078 123.798 120.570 0.251 0.000 2.312 129 I HA -0.155 4.273 4.170 0.197 -0.140 0.291 129 I C -1.448 174.820 176.117 0.252 0.000 1.031 129 I CA -0.078 61.347 61.300 0.208 0.000 1.293 129 I CB -0.572 37.488 38.000 0.100 0.000 1.403 129 I HN -0.268 8.050 8.210 0.180 0.000 0.484 130 Y N 6.730 126.998 120.300 -0.053 0.000 2.457 130 Y HA 0.453 5.129 4.550 -0.018 -0.138 0.333 130 Y C -0.318 175.431 175.900 -0.252 0.000 1.119 130 Y CA -1.680 56.370 58.100 -0.084 0.000 1.143 130 Y CB 2.642 41.125 38.460 0.039 0.000 1.230 130 Y HN -0.377 8.080 8.280 0.294 0.000 0.469 131 V N -0.430 119.457 119.914 -0.044 0.000 2.863 131 V HA 0.149 4.277 4.120 -0.185 -0.119 0.307 131 V C -0.335 175.695 176.094 -0.106 0.000 1.061 131 V CA 0.430 62.670 62.300 -0.099 0.000 1.024 131 V CB 0.563 32.388 31.823 0.004 0.000 1.049 131 V HN 0.306 8.485 8.190 -0.018 0.000 0.471 132 T N 3.877 118.356 114.554 -0.125 0.000 3.051 132 T HA 0.094 4.455 4.350 0.020 0.000 0.254 132 T C -1.286 173.396 174.700 -0.030 0.000 0.916 132 T CA 0.703 62.774 62.100 -0.047 0.000 0.894 132 T CB 1.679 70.519 68.868 -0.046 0.000 1.251 132 T HN 0.962 9.008 8.240 -0.155 0.101 0.517 133 K N 0.550 120.914 120.400 -0.059 0.000 2.546 133 K HA 0.294 4.590 4.320 -0.039 0.000 0.264 133 K C -2.810 173.760 176.600 -0.050 0.000 0.937 133 K CA -1.254 55.003 56.287 -0.049 0.000 0.833 133 K CB 3.469 35.942 32.500 -0.045 0.000 1.378 133 K HN -0.499 7.695 8.250 -0.093 0.000 0.432 134 I N 0.517 121.039 120.570 -0.080 0.000 2.686 134 I HA 0.199 4.352 4.170 -0.027 0.000 0.295 134 I C -0.671 175.354 176.117 -0.153 0.000 1.114 134 I CA -1.721 59.505 61.300 -0.124 0.000 1.038 134 I CB 3.184 41.019 38.000 -0.276 0.000 1.238 134 I HN 0.213 8.371 8.210 -0.087 0.000 0.420 135 I N 4.222 124.743 120.570 -0.082 0.000 3.156 135 I HA 0.112 4.274 4.170 -0.013 0.000 0.306 135 I C -0.256 175.894 176.117 0.055 0.000 1.048 135 I CA -1.093 60.200 61.300 -0.013 0.000 1.207 135 I CB 0.906 38.926 38.000 0.034 0.000 1.456 135 I HN 0.374 8.564 8.210 -0.033 0.000 0.616 136 E N 0.714 120.993 120.200 0.131 0.000 2.227 136 E HA -0.070 4.565 4.350 0.475 0.000 0.282 136 E C 0.356 177.062 176.600 0.177 0.000 1.015 136 E CA -0.022 56.520 56.400 0.237 0.000 0.823 136 E CB 0.579 30.356 29.700 0.128 0.000 1.081 136 E HN 0.082 8.490 8.360 0.079 0.000 0.396 137 G N 4.255 113.150 108.800 0.158 0.000 2.198 137 G HA2 -0.368 3.574 3.960 -0.030 0.000 0.260 137 G HA3 -0.368 3.608 3.960 0.026 0.000 0.260 137 G C -0.210 174.730 174.900 0.066 0.000 1.025 137 G CA 0.197 45.323 45.100 0.044 0.000 0.769 137 G HN 0.212 8.606 8.290 0.172 0.000 0.507 138 G N -1.616 107.270 108.800 0.142 0.000 2.621 138 G HA2 0.140 4.134 3.960 0.056 0.000 0.271 138 G HA3 0.140 4.164 3.960 0.107 0.000 0.271 138 G C -0.364 174.564 174.900 0.048 0.000 1.236 138 G CA -1.561 43.594 45.100 0.091 0.000 0.958 138 G HN -0.805 7.623 8.290 0.279 0.029 0.512 139 A N 0.371 123.191 122.820 -0.000 0.000 1.855 139 A HA -0.272 4.025 4.320 -0.038 0.000 0.215 139 A C 1.477 179.023 177.584 -0.062 0.000 1.191 139 A CA 2.938 54.948 52.037 -0.045 0.000 0.613 139 A CB -0.056 18.897 19.000 -0.077 0.000 0.829 139 A HN 0.499 8.648 8.150 -0.001 0.000 0.442 140 A N -2.202 120.556 122.820 -0.103 0.000 1.968 140 A HA -0.387 3.894 4.320 -0.155 -0.054 0.217 140 A C 0.922 178.507 177.584 0.003 0.000 1.169 140 A CA 2.709 54.664 52.037 -0.137 0.000 0.638 140 A CB -0.912 17.892 19.000 -0.328 0.000 0.812 140 A HN -0.482 7.598 8.150 -0.116 0.000 0.446 141 H N -0.454 118.580 119.070 -0.061 0.000 2.265 141 H HA -0.439 4.107 4.556 -0.016 0.000 0.295 141 H C 2.228 177.536 175.328 -0.033 0.000 1.084 141 H CA 3.380 59.412 56.048 -0.027 0.000 1.261 141 H CB 0.206 29.962 29.762 -0.009 0.000 1.360 141 H HN 0.144 8.496 8.280 0.120 0.000 0.487 142 K N -3.479 116.935 120.400 0.024 0.000 2.031 142 K HA -0.247 4.003 4.320 -0.116 0.000 0.205 142 K C 1.988 178.565 176.600 -0.039 0.000 1.049 142 K CA 2.401 58.650 56.287 -0.063 0.000 0.939 142 K CB -0.108 32.348 32.500 -0.073 0.000 0.717 142 K HN -0.879 7.408 8.250 0.060 0.000 0.438 143 D N -2.560 117.817 120.400 -0.039 0.000 2.146 143 D HA 0.010 4.620 4.640 -0.049 0.000 0.209 143 D C 2.049 178.318 176.300 -0.052 0.000 0.973 143 D CA 2.155 56.122 54.000 -0.054 0.000 0.860 143 D CB 0.246 40.998 40.800 -0.080 0.000 1.015 143 D HN -0.226 8.123 8.370 -0.036 0.000 0.465 144 G N -1.614 107.147 108.800 -0.065 0.000 2.440 144 G HA2 -0.292 3.721 3.960 -0.075 0.000 0.218 144 G HA3 -0.292 3.616 3.960 -0.098 -0.007 0.218 144 G C 0.398 175.286 174.900 -0.020 0.000 1.154 144 G CA 1.092 46.153 45.100 -0.066 0.000 0.767 144 G HN -0.614 7.545 8.290 -0.076 0.085 0.552 145 R N -5.237 115.274 120.500 0.017 0.000 3.953 145 R HA -0.482 4.052 4.340 0.093 -0.139 0.340 145 R C -0.563 175.762 176.300 0.042 0.000 1.195 145 R CA 0.796 56.924 56.100 0.046 0.000 0.929 145 R CB -2.150 28.162 30.300 0.019 0.000 1.402 145 R HN 0.327 8.517 8.270 0.029 0.097 0.540 146 L N -4.317 116.922 121.223 0.027 0.000 2.395 146 L HA 0.097 4.445 4.340 0.013 0.000 0.268 146 L C -0.395 176.494 176.870 0.032 0.000 1.223 146 L CA -0.482 54.370 54.840 0.021 0.000 1.093 146 L CB -2.415 39.653 42.059 0.014 0.000 1.349 146 L HN -0.573 7.609 8.230 0.014 0.056 0.427 147 Q N 1.619 121.439 119.800 0.034 0.000 2.421 147 Q HA -0.131 4.218 4.340 0.014 0.000 0.255 147 Q C 0.355 176.366 176.000 0.019 0.000 1.013 147 Q CA -1.173 54.646 55.803 0.027 0.000 0.895 147 Q CB 1.108 29.870 28.738 0.040 0.000 1.271 147 Q HN -0.506 7.761 8.270 0.035 0.025 0.460 148 I N 1.013 121.589 120.570 0.010 0.000 3.022 148 I HA -0.455 3.725 4.170 0.018 0.000 0.290 148 I C 0.888 177.030 176.117 0.041 0.000 1.212 148 I CA 2.153 63.465 61.300 0.021 0.000 1.377 148 I CB -1.426 36.584 38.000 0.017 0.000 1.417 148 I HN 0.396 8.603 8.210 -0.004 0.000 0.540 149 G N 6.272 115.100 108.800 0.048 0.000 3.254 149 G HA2 -0.112 3.927 3.960 0.131 0.000 0.219 149 G HA3 -0.112 3.883 3.960 0.058 0.000 0.219 149 G C -0.795 174.104 174.900 -0.002 0.000 0.964 149 G CA -0.385 44.755 45.100 0.067 0.000 0.823 149 G HN 0.164 8.475 8.290 0.034 0.000 0.579 150 D N 0.982 121.351 120.400 -0.052 0.000 2.354 150 D HA 0.020 4.568 4.640 -0.152 0.000 0.247 150 D C -1.700 174.407 176.300 -0.323 0.000 1.138 150 D CA -0.368 53.547 54.000 -0.141 0.000 0.958 150 D CB 1.525 42.284 40.800 -0.068 0.000 1.144 150 D HN -0.548 7.812 8.370 -0.016 0.000 0.458 151 K N -5.328 114.806 120.400 -0.443 0.000 2.535 151 K HA 0.801 4.983 4.320 -0.481 -0.150 0.250 151 K C -1.201 175.247 176.600 -0.253 0.000 0.948 151 K CA -1.259 54.655 56.287 -0.621 0.000 0.796 151 K CB 2.892 34.414 32.500 -1.631 0.000 1.216 151 K HN -0.064 7.997 8.250 -0.315 0.000 0.432 152 I N 0.939 121.447 120.570 -0.104 0.000 2.359 152 I HA 0.662 4.989 4.170 -0.031 -0.176 0.294 152 I C 0.035 176.163 176.117 0.018 0.000 0.987 152 I CA -1.464 59.825 61.300 -0.018 0.000 1.225 152 I CB 0.564 38.586 38.000 0.036 0.000 1.366 152 I HN 0.686 8.850 8.210 -0.077 0.000 0.466 153 L N 0.418 121.654 121.223 0.022 0.000 2.640 153 L HA 0.475 4.850 4.340 0.058 0.000 0.230 153 L C -0.669 176.227 176.870 0.043 0.000 1.123 153 L CA -0.554 54.311 54.840 0.041 0.000 0.900 153 L CB 0.702 42.782 42.059 0.036 0.000 1.146 153 L HN 0.371 8.607 8.230 0.011 0.000 0.484 154 A N -3.993 118.853 122.820 0.042 0.000 2.601 154 A HA 0.037 4.456 4.320 0.049 -0.070 0.303 154 A C -2.822 174.792 177.584 0.050 0.000 1.004 154 A CA 0.122 52.186 52.037 0.045 0.000 0.742 154 A CB 1.668 20.690 19.000 0.036 0.000 1.250 154 A HN -0.859 7.260 8.150 0.039 0.055 0.406 155 V N 3.015 122.963 119.914 0.057 0.000 2.304 155 V HA 0.111 4.272 4.120 0.069 0.000 0.262 155 V C 0.526 176.663 176.094 0.072 0.000 1.061 155 V CA -0.486 61.854 62.300 0.067 0.000 0.872 155 V CB -1.342 30.523 31.823 0.071 0.000 1.077 155 V HN 0.366 8.590 8.190 0.056 0.000 0.480 156 N N 7.730 126.477 118.700 0.079 0.000 2.124 156 N HA -0.508 4.268 4.740 0.060 0.000 0.216 156 N C 0.391 175.919 175.510 0.031 0.000 0.473 156 N CA 3.756 56.845 53.050 0.065 0.000 4.165 156 N CB -1.193 37.347 38.487 0.090 0.000 0.769 156 N HN 0.557 8.986 8.380 0.082 0.000 0.240 157 S N -0.907 114.813 115.700 0.035 0.000 2.952 157 S HA 0.069 4.551 4.470 0.019 0.000 0.238 157 S C -1.399 173.218 174.600 0.028 0.000 0.780 157 S CA -0.252 57.962 58.200 0.023 0.000 1.150 157 S CB 1.117 64.325 63.200 0.013 0.000 1.320 157 S HN 0.222 8.469 8.310 0.046 0.090 0.540 158 V N 1.328 121.264 119.914 0.037 0.000 2.863 158 V HA 0.088 4.227 4.120 0.033 0.000 0.307 158 V C -0.208 175.908 176.094 0.036 0.000 1.061 158 V CA -0.751 61.572 62.300 0.038 0.000 1.024 158 V CB 1.393 33.245 31.823 0.047 0.000 1.049 158 V HN -0.786 7.376 8.190 0.043 0.054 0.471 159 G N 2.989 111.809 108.800 0.033 0.000 3.727 159 G HA2 0.216 4.196 3.960 0.033 0.000 0.301 159 G HA3 0.216 4.192 3.960 0.027 0.000 0.301 159 G C -0.588 174.334 174.900 0.037 0.000 1.128 159 G CA -0.595 44.524 45.100 0.032 0.000 1.545 159 G HN 0.170 8.479 8.290 0.031 0.000 0.555 160 L N -0.399 120.852 121.223 0.046 0.000 2.821 160 L HA -0.178 4.191 4.340 0.049 0.000 0.254 160 L C -1.376 175.528 176.870 0.057 0.000 1.151 160 L CA 0.406 55.278 54.840 0.054 0.000 0.937 160 L CB -0.213 41.885 42.059 0.065 0.000 1.141 160 L HN -0.766 7.448 8.230 0.047 0.044 0.425 161 E N -7.532 112.697 120.200 0.048 0.000 3.653 161 E HA 0.028 4.409 4.350 0.051 0.000 0.275 161 E C -1.558 175.064 176.600 0.036 0.000 1.139 161 E CA -0.430 56.000 56.400 0.049 0.000 1.227 161 E CB -0.628 29.110 29.700 0.063 0.000 1.277 161 E HN -0.455 7.765 8.360 0.041 0.165 0.394 162 D N -0.976 119.439 120.400 0.025 0.000 2.848 162 D HA 0.052 4.703 4.640 0.018 0.000 0.303 162 D C -1.500 174.804 176.300 0.006 0.000 1.665 162 D CA 1.060 55.071 54.000 0.017 0.000 0.807 162 D CB 0.588 41.398 40.800 0.018 0.000 1.288 162 D HN 0.083 8.468 8.370 0.024 0.000 0.441 163 V N -4.235 115.679 119.914 -0.000 0.000 5.003 163 V HA 0.095 4.205 4.120 -0.017 0.000 0.132 163 V C -1.289 174.779 176.094 -0.043 0.000 1.227 163 V CA 0.036 62.324 62.300 -0.019 0.000 1.094 163 V CB 1.381 33.191 31.823 -0.021 0.000 1.358 163 V HN -0.350 7.844 8.190 0.006 0.000 0.637 164 M N -3.424 116.139 119.600 -0.061 0.000 3.098 164 M HA 0.069 4.703 4.480 -0.064 -0.192 0.257 164 M C -0.547 175.671 176.300 -0.136 0.000 0.904 164 M CA 0.354 55.576 55.300 -0.131 0.000 0.791 164 M CB 2.880 35.327 32.600 -0.255 0.000 1.609 164 M HN -0.855 7.411 8.290 -0.040 0.000 0.571 165 H N 0.352 119.430 119.070 0.013 0.000 2.426 165 H HA -0.217 4.502 4.556 0.012 -0.156 0.298 165 H C 1.839 177.170 175.328 0.004 0.000 1.107 165 H CA 2.959 59.012 56.048 0.009 0.000 1.298 165 H CB -0.012 29.754 29.762 0.006 0.000 1.377 165 H HN 0.385 8.563 8.280 -0.170 0.000 0.519 166 E N 0.325 120.336 120.200 -0.316 0.000 2.046 166 E HA -0.310 4.060 4.350 0.034 0.000 0.190 166 E C 1.473 178.039 176.600 -0.057 0.000 0.982 166 E CA 3.569 59.900 56.400 -0.115 0.000 0.800 166 E CB -0.644 28.943 29.700 -0.188 0.000 0.756 166 E HN 0.120 7.959 8.360 -0.819 0.029 0.449 167 D N -1.125 119.227 120.400 -0.080 0.000 2.149 167 D HA -0.187 4.439 4.640 -0.023 0.000 0.201 167 D C 1.857 178.156 176.300 -0.002 0.000 0.972 167 D CA 3.440 57.420 54.000 -0.033 0.000 0.835 167 D CB -0.039 40.739 40.800 -0.037 0.000 0.966 167 D HN -0.204 8.084 8.370 -0.138 0.000 0.476 168 A N -0.298 122.525 122.820 0.004 0.000 1.929 168 A HA -0.210 4.130 4.320 0.034 0.000 0.216 168 A C 1.931 179.540 177.584 0.042 0.000 1.176 168 A CA 3.091 55.147 52.037 0.032 0.000 0.628 168 A CB -0.341 18.685 19.000 0.044 0.000 0.816 168 A HN 0.380 8.521 8.150 -0.014 0.000 0.444 169 V N -0.826 119.111 119.914 0.039 0.000 2.379 169 V HA -0.510 3.631 4.120 0.035 0.000 0.245 169 V C 1.602 177.720 176.094 0.040 0.000 1.044 169 V CA 4.091 66.414 62.300 0.039 0.000 1.036 169 V CB -0.015 31.834 31.823 0.043 0.000 0.664 169 V HN -0.427 7.685 8.190 0.034 0.098 0.453 170 A N -1.457 121.381 122.820 0.031 0.000 1.968 170 A HA -0.201 4.138 4.320 0.032 0.000 0.217 170 A C 1.618 179.224 177.584 0.036 0.000 1.169 170 A CA 2.912 54.967 52.037 0.029 0.000 0.638 170 A CB -0.826 18.184 19.000 0.018 0.000 0.812 170 A HN -0.067 8.097 8.150 0.023 0.000 0.446 171 A N -2.282 120.561 122.820 0.038 0.000 2.016 171 A HA -0.117 4.228 4.320 0.041 0.000 0.217 171 A C 0.874 178.494 177.584 0.061 0.000 1.162 171 A CA 2.394 54.458 52.037 0.044 0.000 0.662 171 A CB -0.319 18.704 19.000 0.039 0.000 0.812 171 A HN -0.116 7.847 8.150 0.033 0.207 0.450 172 L N -4.868 116.400 121.223 0.074 0.000 2.162 172 L HA -0.015 4.384 4.340 0.099 0.000 0.205 172 L C 2.023 178.955 176.870 0.103 0.000 1.086 172 L CA 2.434 57.337 54.840 0.105 0.000 0.778 172 L CB -0.019 42.130 42.059 0.150 0.000 0.928 172 L HN -0.676 7.458 8.230 0.067 0.136 0.446 173 K N -3.754 116.699 120.400 0.088 0.000 2.228 173 K HA -0.240 4.132 4.320 0.086 0.000 0.202 173 K C 0.755 177.384 176.600 0.048 0.000 1.051 173 K CA 2.506 58.836 56.287 0.072 0.000 0.960 173 K CB -0.714 31.821 32.500 0.059 0.000 0.743 173 K HN -0.416 7.880 8.250 0.077 0.000 0.458 174 N N -2.779 115.950 118.700 0.050 0.000 2.512 174 N HA -0.066 4.697 4.740 0.037 0.000 0.183 174 N C 0.165 175.713 175.510 0.062 0.000 1.073 174 N CA 1.155 54.233 53.050 0.047 0.000 0.911 174 N CB 0.578 39.092 38.487 0.045 0.000 0.964 174 N HN -0.372 7.927 8.380 0.054 0.114 0.447 175 T N -0.219 114.375 114.554 0.067 0.000 2.560 175 T HA -0.257 4.156 4.350 0.105 0.000 0.354 175 T C -1.698 173.070 174.700 0.112 0.000 1.051 175 T CA 0.536 62.690 62.100 0.090 0.000 1.032 175 T CB 1.067 69.978 68.868 0.070 0.000 1.057 175 T HN -0.838 7.259 8.240 0.063 0.181 0.529 176 Y N -1.593 118.709 120.300 0.002 0.000 2.519 176 Y HA -0.083 4.466 4.550 -0.000 0.000 0.324 176 Y C 0.069 175.953 175.900 -0.026 0.000 1.214 176 Y CA -0.316 57.781 58.100 -0.005 0.000 1.260 176 Y CB 3.094 41.557 38.460 0.005 0.000 1.311 176 Y HN -0.193 8.214 8.280 0.211 0.000 0.505 177 D N -0.954 119.091 120.400 -0.592 0.000 2.271 177 D HA -0.216 4.267 4.640 -0.262 0.000 0.207 177 D C -0.064 176.195 176.300 -0.069 0.000 0.983 177 D CA 2.858 56.664 54.000 -0.323 0.000 0.878 177 D CB 0.402 40.944 40.800 -0.431 0.000 0.920 177 D HN 0.070 7.370 8.370 -1.783 0.000 0.479 178 V N -1.710 118.273 119.914 0.116 0.000 2.595 178 V HA 0.044 4.105 4.120 -0.098 0.000 0.269 178 V C -2.021 174.047 176.094 -0.042 0.000 0.982 178 V CA -0.846 61.452 62.300 -0.003 0.000 0.873 178 V CB 1.619 33.446 31.823 0.006 0.000 1.051 178 V HN -0.760 7.613 8.190 0.388 0.049 0.466 179 V N 3.920 123.766 119.914 -0.113 0.000 2.715 179 V HA 0.493 4.644 4.120 0.051 0.000 0.310 179 V C -1.789 174.192 176.094 -0.189 0.000 1.054 179 V CA -3.512 58.754 62.300 -0.057 0.000 0.928 179 V CB 1.982 33.834 31.823 0.049 0.000 1.007 179 V HN 0.323 8.438 8.190 -0.126 0.000 0.437 180 Y N 1.896 122.197 120.300 0.003 0.000 2.341 180 Y HA 0.466 5.176 4.550 -0.017 -0.170 0.340 180 Y C -0.169 175.726 175.900 -0.008 0.000 0.997 180 Y CA -1.158 56.937 58.100 -0.008 0.000 1.149 180 Y CB -0.112 38.344 38.460 -0.007 0.000 1.171 180 Y HN -0.229 8.551 8.280 0.447 -0.232 0.494 181 L N 0.708 121.986 121.223 0.092 0.000 2.325 181 L HA 0.279 4.661 4.340 0.071 0.000 0.279 181 L C -0.546 176.358 176.870 0.058 0.000 1.054 181 L CA -0.934 53.941 54.840 0.059 0.000 0.804 181 L CB 0.900 42.968 42.059 0.015 0.000 1.200 181 L HN 1.002 9.162 8.230 0.046 0.098 0.436 182 K N 3.210 123.638 120.400 0.047 0.000 2.268 182 K HA 0.393 4.881 4.320 0.033 -0.148 0.276 182 K C -1.210 175.397 176.600 0.012 0.000 1.080 182 K CA -0.816 55.490 56.287 0.031 0.000 0.910 182 K CB 0.403 32.920 32.500 0.028 0.000 1.163 182 K HN 0.771 8.941 8.250 0.050 0.110 0.465 183 V N 5.393 125.306 119.914 -0.001 0.000 2.966 183 V HA 0.742 5.005 4.120 -0.043 -0.169 0.317 183 V C -1.065 175.008 176.094 -0.034 0.000 1.070 183 V CA -1.889 60.393 62.300 -0.030 0.000 1.008 183 V CB 2.672 34.474 31.823 -0.035 0.000 1.070 183 V HN -0.143 7.956 8.190 0.007 0.095 0.457 184 A N 0.347 123.128 122.820 -0.065 0.000 2.486 184 A HA 0.782 5.268 4.320 -0.024 -0.180 0.300 184 A C -1.053 176.496 177.584 -0.058 0.000 1.048 184 A CA -1.612 50.399 52.037 -0.044 0.000 0.696 184 A CB 3.525 22.512 19.000 -0.022 0.000 1.278 184 A HN 0.822 8.907 8.150 -0.110 0.000 0.405 185 K N 2.152 122.537 120.400 -0.024 0.000 2.144 185 K HA 0.376 4.680 4.320 -0.026 0.000 0.270 185 K C -1.519 175.090 176.600 0.015 0.000 1.005 185 K CA -2.949 53.331 56.287 -0.011 0.000 0.932 185 K CB 0.544 33.044 32.500 -0.002 0.000 1.021 185 K HN 0.604 8.733 8.250 -0.012 0.114 0.462 186 P HA -0.089 4.392 4.420 0.101 0.000 0.259 186 P C -0.889 176.439 177.300 0.047 0.000 1.211 186 P CA 0.109 63.251 63.100 0.070 0.000 0.810 186 P CB 0.105 31.855 31.700 0.084 0.000 0.815 187 S N 5.159 120.886 115.700 0.046 0.000 2.559 187 S HA -0.293 4.200 4.470 0.023 -0.010 0.282 187 S C -0.021 174.593 174.600 0.024 0.000 1.336 187 S CA 1.203 59.421 58.200 0.030 0.000 1.037 187 S CB 0.430 63.648 63.200 0.030 0.000 0.853 187 S HN -0.168 8.178 8.310 0.059 0.000 0.523 188 N N -1.630 117.078 118.700 0.012 0.000 2.696 188 N HA -0.441 4.298 4.740 -0.002 0.000 0.249 188 N C -0.854 174.661 175.510 0.009 0.000 1.090 188 N CA 0.866 53.919 53.050 0.005 0.000 0.716 188 N CB -1.458 37.031 38.487 0.003 0.000 1.020 188 N HN 0.421 8.840 8.380 0.010 -0.033 0.548 189 A N 0.000 122.828 122.820 0.014 0.000 2.254 189 A HA 0.000 4.370 4.320 0.019 -0.038 0.244 189 A CA 0.000 52.047 52.037 0.017 0.000 0.836 189 A CB 0.000 19.006 19.000 0.009 0.000 0.831 189 A HN 0.000 8.189 8.150 0.015 -0.030 0.486