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 2zgh_1_A DATA FIRST_RESID 1 DATA SEQUENCE IIGGREVIPH SRPYMASLQR NGSHLcGGVL VHPKWVLTAA HcLAQRMAQL DATA SEQUENCE RLVLGLHTLD SPGLTFHIKA AIQHPRYKPV PALENDLALL QLDGKVKPSR DATA SEQUENCE TIRPLALPSK RQVVAAGTRc SMAGWGLTHQ GGRLSRVLRE LDLQVLDTRM DATA SEQUENCE cNNSRFWNGS LSPSMVcLAA DSKDQAPcKG DSGGPLVcGK GRVLAGVLSF DATA SEQUENCE SSRVcTDIFK PPVATAVAPY VSWIRKVTGR S 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 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1 I C 0.000 176.070 176.117 -0.079 0.000 1.063 1 I CA 0.000 61.271 61.300 -0.048 0.000 1.566 1 I CB 0.000 37.957 38.000 -0.071 0.000 1.214 2 I N 5.393 125.917 120.570 -0.077 0.000 2.325 2 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 2 I C 1.286 177.340 176.117 -0.106 0.000 1.019 2 I CA 0.183 61.406 61.300 -0.128 0.000 1.302 2 I CB 1.243 39.185 38.000 -0.097 0.000 1.401 2 I HN 0.945 9.155 8.210 -0.000 0.000 0.485 3 G N 4.208 112.928 108.800 -0.133 0.000 2.176 3 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.252 3 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.252 3 G C 0.332 175.194 174.900 -0.064 0.000 1.024 3 G CA 0.085 45.134 45.100 -0.085 0.000 0.755 3 G HN 0.976 9.266 8.290 -0.000 0.000 0.507 4 G N -1.253 107.503 108.800 -0.073 0.000 2.642 4 G HA2 0.739 4.699 3.960 -0.001 0.000 0.291 4 G HA3 0.739 4.699 3.960 -0.001 0.000 0.291 4 G C -0.130 174.735 174.900 -0.058 0.000 1.345 4 G CA -0.982 44.080 45.100 -0.063 0.000 1.043 4 G HN 0.436 8.726 8.290 -0.000 0.000 0.528 5 R N -0.392 120.074 120.500 -0.058 0.000 2.670 5 R HA 0.278 4.618 4.340 -0.001 0.000 0.289 5 R C -0.608 175.658 176.300 -0.056 0.000 0.965 5 R CA -0.653 55.420 56.100 -0.046 0.000 0.899 5 R CB 2.400 32.679 30.300 -0.034 0.000 1.173 5 R HN 0.698 8.968 8.270 -0.000 0.000 0.456 6 E N 2.328 122.506 120.200 -0.036 0.000 2.415 6 E HA 0.046 4.396 4.350 -0.001 0.000 0.263 6 E C -0.025 176.575 176.600 -0.000 0.000 0.995 6 E CA -0.408 55.982 56.400 -0.018 0.000 0.915 6 E CB 0.782 30.501 29.700 0.032 0.000 0.951 6 E HN 0.365 8.725 8.360 -0.000 0.000 0.449 7 V N 2.726 122.648 119.914 0.013 0.000 3.133 7 V HA 0.248 4.367 4.120 -0.001 0.000 0.305 7 V C 0.568 176.671 176.094 0.015 0.000 1.084 7 V CA -0.634 61.669 62.300 0.006 0.000 1.089 7 V CB 0.655 32.455 31.823 -0.038 0.000 1.073 7 V HN 0.592 8.782 8.190 -0.000 0.000 0.477 8 I N 3.043 123.579 120.570 -0.057 0.000 2.668 8 I HA 0.186 4.355 4.170 -0.001 0.000 0.285 8 I C -2.038 173.941 176.117 -0.230 0.000 1.168 8 I CA -1.200 60.025 61.300 -0.125 0.000 1.424 8 I CB 0.350 38.304 38.000 -0.077 0.000 1.377 8 I HN 0.517 8.727 8.210 -0.000 0.000 0.560 9 P HA -0.075 4.345 4.420 -0.000 0.000 0.261 9 P C -0.278 176.761 177.300 -0.435 0.000 1.183 9 P CA 0.683 63.297 63.100 -0.810 0.000 0.761 9 P CB 0.102 31.315 31.700 -0.811 0.000 0.785 10 H N 0.359 119.417 119.070 -0.020 0.000 3.080 10 H HA -0.147 4.408 4.556 -0.001 0.000 0.254 10 H C 1.102 176.396 175.328 -0.057 0.000 1.179 10 H CA 1.190 57.228 56.048 -0.017 0.000 1.144 10 H CB -2.189 27.566 29.762 -0.011 0.000 1.261 10 H HN 0.549 8.829 8.280 -0.000 0.000 0.333 11 S N 0.130 115.811 115.700 -0.032 0.000 2.522 11 S HA 0.057 4.526 4.470 -0.001 0.000 0.227 11 S C 1.040 175.575 174.600 -0.109 0.000 0.986 11 S CA 0.312 58.485 58.200 -0.046 0.000 0.929 11 S CB 0.277 63.447 63.200 -0.049 0.000 0.769 11 S HN 0.436 8.746 8.310 -0.000 0.000 0.529 12 R N 1.414 121.782 120.500 -0.221 0.000 2.629 12 R HA 0.287 4.627 4.340 -0.001 0.000 0.277 12 R C -2.503 173.404 176.300 -0.655 0.000 1.637 12 R CA -1.494 54.248 56.100 -0.597 0.000 1.663 12 R CB 1.194 31.138 30.300 -0.594 0.000 1.228 12 R HN 0.240 8.510 8.270 -0.000 0.000 0.632 13 P HA -0.137 4.283 4.420 -0.000 0.000 0.237 13 P C 0.494 177.755 177.300 -0.065 0.000 1.178 13 P CA 0.839 63.869 63.100 -0.117 0.000 0.766 13 P CB 0.009 31.705 31.700 -0.007 0.000 0.876 14 Y N -3.273 117.078 120.300 0.085 0.000 2.546 14 Y HA 0.250 4.800 4.550 -0.001 0.000 0.287 14 Y C 1.090 177.054 175.900 0.107 0.000 1.158 14 Y CA -0.634 57.514 58.100 0.080 0.000 1.307 14 Y CB -1.002 37.493 38.460 0.058 0.000 1.036 14 Y HN -0.245 8.035 8.280 -0.000 0.000 0.532 15 M N 2.169 121.801 119.600 0.052 0.000 2.238 15 M HA 0.346 4.825 4.480 -0.001 0.000 0.350 15 M C 0.017 176.501 176.300 0.307 0.000 1.321 15 M CA -0.504 54.924 55.300 0.214 0.000 1.097 15 M CB 0.346 33.011 32.600 0.109 0.000 1.713 15 M HN 0.383 8.673 8.290 -0.000 0.000 0.455 16 A N 2.816 125.836 122.820 0.333 0.000 2.365 16 A HA 0.642 4.962 4.320 -0.001 0.000 0.318 16 A C -0.336 177.437 177.584 0.316 0.000 1.091 16 A CA -0.629 51.565 52.037 0.262 0.000 0.763 16 A CB 1.342 20.443 19.000 0.169 0.000 1.248 16 A HN 0.700 8.850 8.150 -0.000 0.000 0.442 17 S N 1.776 117.553 115.700 0.129 0.000 2.448 17 S HA 0.479 4.948 4.470 -0.001 0.000 0.320 17 S C -0.697 173.888 174.600 -0.026 0.000 1.071 17 S CA -0.490 57.731 58.200 0.035 0.000 1.113 17 S CB 0.064 63.086 63.200 -0.297 0.000 0.972 17 S HN 0.930 9.240 8.310 -0.000 0.000 0.465 18 L N 6.145 127.323 121.223 -0.076 0.000 2.313 18 L HA 0.460 4.799 4.340 -0.001 0.000 0.282 18 L C -0.363 176.390 176.870 -0.195 0.000 1.092 18 L CA 0.732 55.501 54.840 -0.118 0.000 0.831 18 L CB 0.565 42.560 42.059 -0.107 0.000 1.159 18 L HN 0.721 8.951 8.230 -0.000 0.000 0.442 19 Q N 5.243 124.966 119.800 -0.129 0.000 2.394 19 Q HA 0.509 4.848 4.340 -0.001 0.000 0.273 19 Q C -1.099 174.845 176.000 -0.092 0.000 1.089 19 Q CA -0.875 54.857 55.803 -0.117 0.000 0.812 19 Q CB 2.647 31.328 28.738 -0.094 0.000 1.353 19 Q HN 0.548 8.818 8.270 -0.000 0.000 0.438 20 R N 1.689 122.144 120.500 -0.076 0.000 2.360 20 R HA 0.259 4.599 4.340 -0.001 0.000 0.318 20 R C -0.880 175.390 176.300 -0.050 0.000 0.950 20 R CA -0.111 55.953 56.100 -0.060 0.000 0.837 20 R CB 0.329 30.602 30.300 -0.045 0.000 1.165 20 R HN 0.874 9.144 8.270 -0.000 0.000 0.458 21 N N 3.282 121.949 118.700 -0.055 0.000 2.705 21 N HA -0.245 4.494 4.740 -0.001 0.000 0.255 21 N C 0.586 176.070 175.510 -0.043 0.000 1.008 21 N CA 0.738 53.761 53.050 -0.046 0.000 0.742 21 N CB -0.644 37.825 38.487 -0.031 0.000 0.906 21 N HN 1.096 9.476 8.380 -0.000 0.000 0.541 22 G N -1.761 107.006 108.800 -0.054 0.000 2.212 22 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.266 22 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.266 22 G C 0.073 174.947 174.900 -0.044 0.000 0.978 22 G CA 0.572 45.641 45.100 -0.051 0.000 0.632 22 G HN 0.514 8.804 8.290 -0.000 0.000 0.537 23 S N 0.260 115.940 115.700 -0.033 0.000 2.429 23 S HA 0.496 4.965 4.470 -0.001 0.000 0.302 23 S C -0.052 174.545 174.600 -0.004 0.000 1.115 23 S CA -0.482 57.712 58.200 -0.009 0.000 1.095 23 S CB 1.233 64.433 63.200 0.000 0.000 0.987 23 S HN 0.595 8.905 8.310 -0.000 0.000 0.474 24 H N 2.544 121.564 119.070 -0.083 0.000 3.064 24 H HA 0.133 4.688 4.556 -0.001 0.000 0.329 24 H C 0.475 175.793 175.328 -0.017 0.000 1.020 24 H CA 0.658 56.657 56.048 -0.082 0.000 1.402 24 H CB 0.286 29.980 29.762 -0.114 0.000 1.379 24 H HN 0.607 8.887 8.280 -0.000 0.000 0.594 25 L N 2.929 123.795 121.223 -0.595 0.000 2.678 25 L HA 0.293 4.633 4.340 -0.001 0.000 0.211 25 L C -0.342 176.315 176.870 -0.354 0.000 1.043 25 L CA 0.335 54.990 54.840 -0.307 0.000 0.881 25 L CB 0.700 42.647 42.059 -0.187 0.000 1.361 25 L HN 0.618 8.848 8.230 -0.000 0.000 0.484 26 c N -1.099 117.182 118.600 -0.532 0.000 3.239 26 c HA 0.670 5.239 4.570 -0.001 0.000 0.317 26 c C 0.482 174.524 174.090 -0.080 0.000 1.310 26 c CA -1.048 55.168 56.329 -0.189 0.000 1.371 26 c CB 1.014 43.462 42.510 -0.104 0.000 1.714 26 c HN 0.472 8.702 8.230 -0.000 0.000 0.473 27 G N 0.076 108.999 108.800 0.205 0.000 2.580 27 G HA2 0.665 4.624 3.960 -0.001 0.000 0.278 27 G HA3 0.665 4.624 3.960 -0.001 0.000 0.278 27 G C -0.130 174.872 174.900 0.170 0.000 1.212 27 G CA 0.333 45.623 45.100 0.316 0.000 0.939 27 G HN 1.319 9.609 8.290 -0.000 0.000 0.513 28 G N -2.531 106.390 108.800 0.203 0.000 2.684 28 G HA2 0.570 4.530 3.960 -0.001 0.000 0.290 28 G HA3 0.570 4.530 3.960 -0.001 0.000 0.290 28 G C -1.808 173.200 174.900 0.180 0.000 1.425 28 G CA -0.345 44.840 45.100 0.142 0.000 0.822 28 G HN 1.218 9.508 8.290 -0.000 0.000 0.482 29 V N 0.892 120.893 119.914 0.144 0.000 2.487 29 V HA 0.627 4.747 4.120 -0.001 0.000 0.298 29 V C -0.606 175.573 176.094 0.141 0.000 1.028 29 V CA -0.941 61.459 62.300 0.167 0.000 0.860 29 V CB 1.277 33.150 31.823 0.083 0.000 0.991 29 V HN 0.804 8.994 8.190 -0.000 0.000 0.427 30 L N 7.521 128.847 121.223 0.172 0.000 2.500 30 L HA 0.286 4.625 4.340 -0.001 0.000 0.272 30 L C 0.854 177.799 176.870 0.125 0.000 1.149 30 L CA 0.996 55.916 54.840 0.134 0.000 0.897 30 L CB 1.383 43.515 42.059 0.123 0.000 1.178 30 L HN 0.706 8.936 8.230 -0.000 0.000 0.473 31 V N 1.506 121.500 119.914 0.133 0.000 3.427 31 V HA 0.445 4.564 4.120 -0.001 0.000 0.305 31 V C 0.004 176.213 176.094 0.192 0.000 1.412 31 V CA 0.200 62.568 62.300 0.114 0.000 1.086 31 V CB -1.026 30.837 31.823 0.066 0.000 0.964 31 V HN 0.985 9.175 8.190 -0.000 0.000 0.439 32 H N -1.400 117.723 119.070 0.088 0.000 3.043 32 H HA 0.397 4.952 4.556 -0.001 0.000 0.317 32 H C -3.023 172.349 175.328 0.074 0.000 1.321 32 H CA -0.532 55.577 56.048 0.102 0.000 1.243 32 H CB 1.721 31.588 29.762 0.176 0.000 1.924 32 H HN -0.201 8.079 8.280 -0.000 0.000 0.527 33 P HA -0.082 4.338 4.420 -0.000 0.000 0.223 33 P C 0.073 177.317 177.300 -0.092 0.000 1.144 33 P CA 1.460 64.426 63.100 -0.222 0.000 0.783 33 P CB 0.207 31.733 31.700 -0.290 0.000 0.771 34 K N -3.702 116.825 120.400 0.212 0.000 2.402 34 K HA 0.132 4.452 4.320 -0.001 0.000 0.204 34 K C -0.471 175.877 176.600 -0.420 0.000 1.056 34 K CA -0.069 56.166 56.287 -0.086 0.000 1.069 34 K CB 0.468 32.921 32.500 -0.078 0.000 0.888 34 K HN 0.125 8.375 8.250 -0.000 0.000 0.546 35 W N 0.785 122.114 121.300 0.049 0.000 2.900 35 W HA 0.355 5.014 4.660 -0.000 0.000 0.336 35 W C -0.833 175.667 176.519 -0.031 0.000 1.064 35 W CA -0.706 56.619 57.345 -0.033 0.000 1.237 35 W CB 1.454 30.862 29.460 -0.086 0.000 1.391 35 W HN -0.386 7.794 8.180 -0.000 0.000 0.468 36 V N 4.915 124.927 119.914 0.163 0.000 2.398 36 V HA 0.360 4.479 4.120 -0.001 0.000 0.286 36 V C -0.440 175.734 176.094 0.134 0.000 1.026 36 V CA -0.969 61.402 62.300 0.118 0.000 0.868 36 V CB 1.272 33.129 31.823 0.057 0.000 0.982 36 V HN 0.390 8.580 8.190 -0.000 0.000 0.443 37 L N 5.403 126.690 121.223 0.106 0.000 2.292 37 L HA 0.757 5.097 4.340 -0.001 0.000 0.284 37 L C 0.112 177.019 176.870 0.061 0.000 1.065 37 L CA 1.247 56.134 54.840 0.078 0.000 0.806 37 L CB 1.526 43.618 42.059 0.056 0.000 1.175 37 L HN 0.850 9.080 8.230 -0.000 0.000 0.431 38 T N 3.071 117.648 114.554 0.040 0.000 2.671 38 T HA 0.779 5.128 4.350 -0.001 0.000 0.300 38 T C -1.312 173.355 174.700 -0.054 0.000 1.238 38 T CA -0.111 61.988 62.100 -0.002 0.000 1.020 38 T CB 1.081 69.939 68.868 -0.016 0.000 1.503 38 T HN 0.864 9.104 8.240 -0.000 0.000 0.497 39 A N 0.722 123.463 122.820 -0.131 0.000 2.331 39 A HA 0.696 5.016 4.320 -0.001 0.000 0.283 39 A C 1.487 178.868 177.584 -0.338 0.000 1.142 39 A CA 0.290 52.191 52.037 -0.227 0.000 0.812 39 A CB 0.189 19.000 19.000 -0.316 0.000 1.074 39 A HN 1.190 9.340 8.150 -0.000 0.000 0.497 40 A N 1.602 124.208 122.820 -0.357 0.000 1.933 40 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 40 A C 1.765 179.059 177.584 -0.483 0.000 1.175 40 A CA 1.750 53.462 52.037 -0.540 0.000 0.628 40 A CB -1.008 17.337 19.000 -1.091 0.000 0.814 40 A HN 1.085 9.235 8.150 -0.000 0.000 0.444 41 H N -1.933 117.003 119.070 -0.223 0.000 2.545 41 H HA -0.052 4.503 4.556 -0.001 0.000 0.282 41 H C 1.569 176.893 175.328 -0.008 0.000 1.020 41 H CA 1.215 57.257 56.048 -0.009 0.000 1.243 41 H CB -0.768 29.064 29.762 0.118 0.000 1.377 41 H HN 0.423 8.703 8.280 -0.000 0.000 0.581 42 c N 0.971 119.338 118.600 -0.388 0.000 2.491 42 c HA 0.117 4.687 4.570 -0.001 0.000 0.277 42 c C 2.358 176.393 174.090 -0.092 0.000 1.455 42 c CA 0.149 56.350 56.329 -0.213 0.000 1.758 42 c CB -0.951 41.398 42.510 -0.268 0.000 1.745 42 c HN 0.528 8.758 8.230 -0.000 0.000 0.558 43 L N 0.274 121.449 121.223 -0.080 0.000 2.728 43 L HA 0.228 4.567 4.340 -0.001 0.000 0.238 43 L C 1.788 178.658 176.870 -0.000 0.000 1.143 43 L CA -0.054 54.761 54.840 -0.043 0.000 0.937 43 L CB -0.238 41.789 42.059 -0.053 0.000 1.225 43 L HN 0.112 8.342 8.230 -0.000 0.000 0.507 44 A N 0.781 123.618 122.820 0.029 0.000 2.510 44 A HA 0.062 4.382 4.320 -0.001 0.000 0.232 44 A C 0.356 177.961 177.584 0.036 0.000 1.715 44 A CA 0.585 52.655 52.037 0.055 0.000 1.612 44 A CB -0.628 18.425 19.000 0.089 0.000 0.795 44 A HN 0.368 8.518 8.150 -0.000 0.000 0.637 45 Q N -0.030 119.781 119.800 0.019 0.000 2.456 45 Q HA 0.336 4.676 4.340 -0.001 0.000 0.283 45 Q C -0.753 175.251 176.000 0.007 0.000 1.084 45 Q CA -1.012 54.796 55.803 0.009 0.000 0.801 45 Q CB 1.056 29.791 28.738 -0.005 0.000 1.434 45 Q HN 0.423 8.693 8.270 -0.000 0.000 0.419 46 R N 1.450 121.952 120.500 0.003 0.000 2.402 46 R HA 0.078 4.418 4.340 -0.001 0.000 0.331 46 R C 1.095 177.391 176.300 -0.007 0.000 1.040 46 R CA 0.069 56.170 56.100 0.002 0.000 0.980 46 R CB -0.016 30.284 30.300 0.001 0.000 0.967 46 R HN 0.760 9.030 8.270 -0.000 0.000 0.440 47 M N 2.603 122.201 119.600 -0.003 0.000 2.202 47 M HA -0.225 4.255 4.480 -0.001 0.000 0.262 47 M C 1.744 178.034 176.300 -0.016 0.000 1.063 47 M CA 2.033 57.327 55.300 -0.010 0.000 1.097 47 M CB -0.034 32.566 32.600 0.001 0.000 1.382 47 M HN 0.710 9.000 8.290 -0.000 0.000 0.413 48 A N -0.252 122.564 122.820 -0.007 0.000 2.084 48 A HA -0.235 4.084 4.320 -0.001 0.000 0.221 48 A C 1.780 179.346 177.584 -0.030 0.000 1.161 48 A CA 1.858 53.892 52.037 -0.005 0.000 0.653 48 A CB -0.520 18.482 19.000 0.004 0.000 0.802 48 A HN 0.765 8.915 8.150 -0.000 0.000 0.457 49 Q N -1.309 118.467 119.800 -0.040 0.000 2.217 49 Q HA 0.379 4.718 4.340 -0.001 0.000 0.217 49 Q C -0.510 175.443 176.000 -0.079 0.000 0.844 49 Q CA -0.301 55.468 55.803 -0.056 0.000 0.957 49 Q CB 0.552 29.268 28.738 -0.036 0.000 1.127 49 Q HN 0.542 8.812 8.270 -0.000 0.000 0.503 50 L N 1.829 123.003 121.223 -0.081 0.000 2.312 50 L HA 0.409 4.749 4.340 -0.001 0.000 0.281 50 L C 0.005 176.798 176.870 -0.129 0.000 1.070 50 L CA -0.488 54.300 54.840 -0.088 0.000 0.805 50 L CB 0.648 42.671 42.059 -0.061 0.000 1.174 50 L HN -0.028 8.202 8.230 -0.000 0.000 0.434 51 R N 3.487 123.915 120.500 -0.119 0.000 2.854 51 R HA 0.647 4.987 4.340 -0.001 0.000 0.271 51 R C -1.136 175.138 176.300 -0.043 0.000 0.994 51 R CA -0.902 55.130 56.100 -0.113 0.000 0.945 51 R CB 1.916 32.128 30.300 -0.146 0.000 1.194 51 R HN 0.487 8.757 8.270 -0.000 0.000 0.476 52 L N 1.407 122.647 121.223 0.028 0.000 2.296 52 L HA 0.528 4.868 4.340 -0.001 0.000 0.286 52 L C -0.537 176.417 176.870 0.139 0.000 1.023 52 L CA -0.956 53.928 54.840 0.073 0.000 0.812 52 L CB 1.939 44.049 42.059 0.084 0.000 1.223 52 L HN 0.147 8.377 8.230 -0.000 0.000 0.421 53 V N 5.029 124.990 119.914 0.079 0.000 2.448 53 V HA 0.490 4.609 4.120 -0.001 0.000 0.295 53 V C 0.001 176.164 176.094 0.116 0.000 1.025 53 V CA -0.526 61.822 62.300 0.079 0.000 0.859 53 V CB 1.800 33.607 31.823 -0.027 0.000 0.988 53 V HN 0.523 8.713 8.190 -0.000 0.000 0.431 54 L N 3.190 124.525 121.223 0.188 0.000 2.330 54 L HA 0.802 5.141 4.340 -0.001 0.000 0.271 54 L C 1.230 178.207 176.870 0.179 0.000 1.013 54 L CA -0.350 54.614 54.840 0.205 0.000 0.816 54 L CB 1.624 43.840 42.059 0.262 0.000 1.287 54 L HN 0.865 9.095 8.230 -0.000 0.000 0.435 55 G N 1.649 110.568 108.800 0.199 0.000 2.148 55 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.254 55 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.254 55 G C -0.035 175.047 174.900 0.303 0.000 0.981 55 G CA -0.190 45.038 45.100 0.213 0.000 0.670 55 G HN 0.373 8.663 8.290 -0.000 0.000 0.528 56 L N -0.933 120.466 121.223 0.293 0.000 2.417 56 L HA 0.545 4.885 4.340 -0.001 0.000 0.268 56 L C 1.432 178.562 176.870 0.434 0.000 1.158 56 L CA -0.137 54.884 54.840 0.301 0.000 0.819 56 L CB 1.122 43.249 42.059 0.114 0.000 1.112 56 L HN 0.345 8.575 8.230 -0.000 0.000 0.458 57 H N -0.084 119.129 119.070 0.238 0.000 2.247 57 H HA 0.155 4.710 4.556 -0.001 0.000 0.267 57 H C 0.151 175.653 175.328 0.290 0.000 0.952 57 H CA 0.177 56.312 56.048 0.146 0.000 1.250 57 H CB 0.647 30.298 29.762 -0.184 0.000 1.441 57 H HN 0.543 8.823 8.280 -0.000 0.000 0.553 58 T N 2.849 117.514 114.554 0.185 0.000 2.832 58 T HA 0.089 4.438 4.350 -0.001 0.000 0.296 58 T C 1.196 175.916 174.700 0.032 0.000 0.968 58 T CA -0.193 61.971 62.100 0.106 0.000 1.107 58 T CB 1.177 70.113 68.868 0.113 0.000 0.916 58 T HN 0.169 8.409 8.240 -0.000 0.000 0.517 59 L N 2.986 124.178 121.223 -0.052 0.000 2.017 59 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 59 L C 0.956 177.736 176.870 -0.150 0.000 1.073 59 L CA 1.708 56.392 54.840 -0.260 0.000 0.745 59 L CB -0.527 41.334 42.059 -0.331 0.000 0.894 59 L HN 0.795 9.025 8.230 -0.000 0.000 0.432 60 D N -0.769 119.589 120.400 -0.069 0.000 2.441 60 D HA 0.428 5.067 4.640 -0.001 0.000 0.221 60 D C -0.107 176.184 176.300 -0.017 0.000 1.156 60 D CA 0.004 53.977 54.000 -0.044 0.000 0.896 60 D CB 0.578 41.362 40.800 -0.026 0.000 1.028 60 D HN 0.135 8.505 8.370 -0.000 0.000 0.509 61 S N 2.002 117.689 115.700 -0.021 0.000 2.614 61 S HA 0.376 4.846 4.470 -0.001 0.000 0.280 61 S C -2.201 172.395 174.600 -0.008 0.000 1.111 61 S CA -1.014 57.189 58.200 0.005 0.000 0.847 61 S CB 0.944 64.170 63.200 0.042 0.000 1.079 61 S HN 0.091 8.401 8.310 -0.000 0.000 0.452 62 P HA 0.221 4.641 4.420 -0.000 0.000 0.213 62 P C 1.319 178.611 177.300 -0.013 0.000 1.170 62 P CA 1.781 64.872 63.100 -0.014 0.000 0.893 62 P CB -0.785 30.908 31.700 -0.012 0.000 0.784 63 G N -0.296 108.513 108.800 0.015 0.000 2.633 63 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.263 63 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.263 63 G C -0.851 174.048 174.900 -0.001 0.000 1.310 63 G CA -0.124 44.995 45.100 0.032 0.000 0.914 63 G HN 0.517 8.807 8.290 -0.000 0.000 0.569 64 L N 0.568 121.801 121.223 0.016 0.000 2.298 64 L HA 0.673 5.012 4.340 -0.001 0.000 0.284 64 L C 0.489 177.289 176.870 -0.117 0.000 1.013 64 L CA -0.164 54.638 54.840 -0.064 0.000 0.824 64 L CB 1.768 43.831 42.059 0.008 0.000 1.221 64 L HN 0.751 8.981 8.230 -0.000 0.000 0.418 65 T N 4.954 119.349 114.554 -0.265 0.000 2.795 65 T HA 0.577 4.926 4.350 -0.001 0.000 0.282 65 T C -0.692 173.754 174.700 -0.423 0.000 0.980 65 T CA -0.011 61.970 62.100 -0.198 0.000 1.012 65 T CB 0.495 69.300 68.868 -0.105 0.000 0.936 65 T HN 0.201 8.441 8.240 -0.000 0.000 0.457 66 F N 1.174 121.149 119.950 0.041 0.000 2.532 66 F HA 0.397 4.924 4.527 -0.000 0.000 0.321 66 F C 1.069 176.927 175.800 0.096 0.000 1.089 66 F CA -1.056 56.989 58.000 0.076 0.000 0.926 66 F CB 1.456 40.465 39.000 0.016 0.000 1.168 66 F HN 0.554 8.854 8.300 -0.000 0.000 0.459 67 H N 2.299 121.437 119.070 0.112 0.000 2.546 67 H HA 0.480 5.036 4.556 -0.001 0.000 0.365 67 H C -0.591 174.762 175.328 0.041 0.000 1.220 67 H CA -0.489 55.589 56.048 0.050 0.000 1.386 67 H CB 1.626 31.396 29.762 0.014 0.000 1.510 67 H HN 0.368 8.648 8.280 -0.000 0.000 0.591 68 I N 1.819 122.447 120.570 0.097 0.000 2.339 68 I HA 0.062 4.232 4.170 -0.001 0.000 0.290 68 I C 1.116 177.234 176.117 0.001 0.000 0.994 68 I CA -0.305 61.002 61.300 0.012 0.000 1.191 68 I CB 1.565 39.557 38.000 -0.013 0.000 1.343 68 I HN 0.481 8.691 8.210 -0.000 0.000 0.458 69 K N 4.692 125.059 120.400 -0.055 0.000 2.243 69 K HA 0.327 4.647 4.320 -0.001 0.000 0.201 69 K C 0.417 176.991 176.600 -0.043 0.000 1.051 69 K CA 0.424 56.680 56.287 -0.052 0.000 0.970 69 K CB 0.344 32.788 32.500 -0.094 0.000 0.755 69 K HN 0.705 8.955 8.250 -0.000 0.000 0.465 70 A N 0.512 123.294 122.820 -0.063 0.000 2.577 70 A HA 0.652 4.972 4.320 -0.001 0.000 0.297 70 A C -1.807 175.791 177.584 0.023 0.000 1.060 70 A CA -0.690 51.344 52.037 -0.005 0.000 0.697 70 A CB 1.686 20.701 19.000 0.025 0.000 1.281 70 A HN 0.063 8.213 8.150 -0.000 0.000 0.402 71 A N 1.771 124.627 122.820 0.061 0.000 2.323 71 A HA 0.682 5.002 4.320 -0.001 0.000 0.305 71 A C -0.979 176.677 177.584 0.120 0.000 1.275 71 A CA -0.186 51.900 52.037 0.081 0.000 0.804 71 A CB -0.093 18.931 19.000 0.041 0.000 1.152 71 A HN 0.743 8.893 8.150 -0.000 0.000 0.487 72 I N 2.543 123.224 120.570 0.185 0.000 2.307 72 I HA 0.158 4.327 4.170 -0.001 0.000 0.287 72 I C 0.469 176.757 176.117 0.286 0.000 1.054 72 I CA 0.358 61.789 61.300 0.218 0.000 1.218 72 I CB 1.262 39.390 38.000 0.213 0.000 1.398 72 I HN 0.667 8.877 8.210 -0.000 0.000 0.475 73 Q N 4.309 124.224 119.800 0.193 0.000 2.373 73 Q HA 0.107 4.446 4.340 -0.001 0.000 0.255 73 Q C 0.280 176.372 176.000 0.155 0.000 0.980 73 Q CA -0.385 55.494 55.803 0.126 0.000 0.882 73 Q CB 0.680 29.427 28.738 0.014 0.000 1.249 73 Q HN 0.469 8.739 8.270 -0.000 0.000 0.438 74 H N 3.474 122.443 119.070 -0.168 0.000 3.064 74 H HA -0.049 4.506 4.556 -0.001 0.000 0.329 74 H C -1.724 173.466 175.328 -0.231 0.000 1.020 74 H CA -0.840 54.835 56.048 -0.622 0.000 1.402 74 H CB 0.943 30.223 29.762 -0.803 0.000 1.379 74 H HN 0.455 8.735 8.280 -0.000 0.000 0.594 75 P HA -0.101 4.319 4.420 -0.000 0.000 0.219 75 P C 0.497 177.789 177.300 -0.013 0.000 1.146 75 P CA 1.581 64.549 63.100 -0.220 0.000 0.808 75 P CB 0.182 31.698 31.700 -0.306 0.000 0.779 76 R N -2.316 118.300 120.500 0.194 0.000 2.633 76 R HA 0.148 4.487 4.340 -0.001 0.000 0.348 76 R C -0.030 176.371 176.300 0.168 0.000 1.100 76 R CA -0.656 55.555 56.100 0.185 0.000 1.068 76 R CB -0.337 30.065 30.300 0.170 0.000 1.351 76 R HN 0.144 8.414 8.270 -0.000 0.000 0.575 77 Y N 2.418 122.758 120.300 0.067 0.000 2.632 77 Y HA -0.017 4.533 4.550 -0.001 0.000 0.329 77 Y C -0.448 175.451 175.900 -0.003 0.000 1.174 77 Y CA 0.047 58.149 58.100 0.002 0.000 1.469 77 Y CB 0.352 38.816 38.460 0.007 0.000 1.242 77 Y HN -0.164 8.116 8.280 -0.000 0.000 0.540 78 K N 9.286 129.328 120.400 -0.596 0.000 2.413 78 K HA 0.370 4.689 4.320 -0.001 0.000 0.257 78 K C -2.596 173.490 176.600 -0.857 0.000 0.946 78 K CA -2.015 53.902 56.287 -0.617 0.000 0.823 78 K CB 1.818 34.150 32.500 -0.280 0.000 1.109 78 K HN 0.433 8.683 8.250 -0.000 0.000 0.427 79 P HA 0.025 4.445 4.420 -0.000 0.000 0.289 79 P C -0.078 177.085 177.300 -0.229 0.000 1.299 79 P CA -0.582 62.246 63.100 -0.453 0.000 0.766 79 P CB 0.345 31.918 31.700 -0.212 0.000 1.226 80 V N -2.955 116.882 119.914 -0.128 0.000 2.928 80 V HA 0.013 4.133 4.120 -0.001 0.000 0.307 80 V C -0.893 175.132 176.094 -0.114 0.000 1.105 80 V CA -0.421 61.797 62.300 -0.136 0.000 1.223 80 V CB -1.311 30.448 31.823 -0.106 0.000 0.930 80 V HN 0.534 8.724 8.190 -0.000 0.000 0.499 81 P HA 0.093 4.513 4.420 -0.000 0.000 0.220 81 P C 0.525 177.719 177.300 -0.176 0.000 1.152 81 P CA 1.306 64.332 63.100 -0.124 0.000 0.812 81 P CB 0.138 31.790 31.700 -0.081 0.000 0.792 82 A N 1.036 123.757 122.820 -0.165 0.000 2.310 82 A HA 0.347 4.666 4.320 -0.001 0.000 0.300 82 A C 0.091 177.546 177.584 -0.215 0.000 1.269 82 A CA -0.388 51.541 52.037 -0.180 0.000 0.909 82 A CB -0.638 18.281 19.000 -0.135 0.000 1.144 82 A HN 0.159 8.309 8.150 -0.000 0.000 0.540 83 L N 3.377 124.444 121.223 -0.260 0.000 2.598 83 L HA 0.202 4.542 4.340 -0.001 0.000 0.241 83 L C 0.121 176.961 176.870 -0.051 0.000 1.244 83 L CA 0.027 54.762 54.840 -0.174 0.000 1.198 83 L CB -0.099 41.807 42.059 -0.255 0.000 1.448 83 L HN 0.771 9.001 8.230 -0.000 0.000 0.406 84 E N 1.027 121.181 120.200 -0.076 0.000 2.266 84 E HA 0.194 4.544 4.350 -0.001 0.000 0.277 84 E C -0.076 176.543 176.600 0.032 0.000 1.018 84 E CA -0.411 55.976 56.400 -0.021 0.000 0.840 84 E CB 0.702 30.371 29.700 -0.053 0.000 1.082 84 E HN 0.382 8.742 8.360 -0.000 0.000 0.395 85 N N 2.072 120.764 118.700 -0.014 0.000 2.727 85 N HA -0.199 4.540 4.740 -0.001 0.000 0.251 85 N C -1.120 174.332 175.510 -0.097 0.000 1.040 85 N CA 0.300 53.231 53.050 -0.200 0.000 0.712 85 N CB -0.592 37.702 38.487 -0.322 0.000 0.912 85 N HN 0.421 8.801 8.380 -0.000 0.000 0.545 86 D N 1.268 121.654 120.400 -0.023 0.000 2.713 86 D HA 0.275 4.915 4.640 -0.001 0.000 0.229 86 D C -0.693 175.527 176.300 -0.134 0.000 1.136 86 D CA 0.211 54.250 54.000 0.066 0.000 1.010 86 D CB 0.041 40.984 40.800 0.239 0.000 1.084 86 D HN 0.341 8.711 8.370 -0.000 0.000 0.495 87 L N 0.911 121.997 121.223 -0.228 0.000 2.422 87 L HA 0.813 5.153 4.340 -0.001 0.000 0.264 87 L C -0.571 176.285 176.870 -0.023 0.000 0.984 87 L CA -1.137 53.614 54.840 -0.148 0.000 0.819 87 L CB 2.118 44.062 42.059 -0.192 0.000 1.330 87 L HN 0.113 8.343 8.230 -0.000 0.000 0.410 88 A N 3.189 126.051 122.820 0.069 0.000 2.475 88 A HA 0.874 5.194 4.320 -0.001 0.000 0.301 88 A C -1.441 176.258 177.584 0.192 0.000 1.059 88 A CA -0.456 51.679 52.037 0.163 0.000 0.710 88 A CB 1.725 20.727 19.000 0.004 0.000 1.288 88 A HN 0.618 8.768 8.150 -0.000 0.000 0.408 89 L N 1.795 123.145 121.223 0.210 0.000 2.313 89 L HA 0.511 4.851 4.340 -0.001 0.000 0.283 89 L C -1.264 175.793 176.870 0.311 0.000 1.013 89 L CA -0.748 54.198 54.840 0.177 0.000 0.816 89 L CB 1.629 43.627 42.059 -0.103 0.000 1.236 89 L HN 0.535 8.765 8.230 -0.000 0.000 0.419 90 L N 3.611 124.995 121.223 0.268 0.000 2.313 90 L HA 0.400 4.739 4.340 -0.001 0.000 0.283 90 L C -0.056 176.727 176.870 -0.145 0.000 1.013 90 L CA 0.056 54.950 54.840 0.089 0.000 0.816 90 L CB 1.569 43.642 42.059 0.022 0.000 1.236 90 L HN 0.535 8.765 8.230 -0.000 0.000 0.419 91 Q N 3.329 122.856 119.800 -0.455 0.000 2.296 91 Q HA 0.483 4.823 4.340 -0.001 0.000 0.257 91 Q C -0.910 174.785 176.000 -0.508 0.000 0.942 91 Q CA -0.572 54.643 55.803 -0.980 0.000 0.939 91 Q CB 0.899 28.847 28.738 -1.318 0.000 1.198 91 Q HN 0.560 8.830 8.270 -0.000 0.000 0.429 92 L N 3.079 124.003 121.223 -0.499 0.000 2.452 92 L HA 0.066 4.406 4.340 -0.001 0.000 0.267 92 L C 1.151 177.926 176.870 -0.159 0.000 1.188 92 L CA -0.304 54.363 54.840 -0.287 0.000 0.821 92 L CB 0.391 42.148 42.059 -0.504 0.000 1.102 92 L HN 0.789 9.019 8.230 -0.000 0.000 0.470 93 D N 0.076 120.505 120.400 0.048 0.000 2.319 93 D HA 0.126 4.766 4.640 -0.001 0.000 0.230 93 D C 0.409 176.762 176.300 0.088 0.000 1.094 93 D CA 0.123 54.150 54.000 0.045 0.000 0.856 93 D CB 0.467 41.300 40.800 0.055 0.000 0.915 93 D HN 0.559 8.929 8.370 -0.000 0.000 0.517 94 G N -0.668 108.230 108.800 0.164 0.000 2.870 94 G HA2 0.482 4.442 3.960 -0.001 0.000 0.299 94 G HA3 0.482 4.442 3.960 -0.001 0.000 0.299 94 G C -1.656 173.287 174.900 0.071 0.000 1.324 94 G CA -1.001 44.212 45.100 0.190 0.000 0.808 94 G HN 0.158 8.448 8.290 -0.000 0.000 0.535 95 K N 0.278 120.737 120.400 0.099 0.000 2.545 95 K HA 0.542 4.862 4.320 -0.001 0.000 0.252 95 K C -0.940 175.680 176.600 0.034 0.000 0.948 95 K CA -0.546 55.742 56.287 0.002 0.000 0.827 95 K CB 2.140 34.648 32.500 0.014 0.000 1.128 95 K HN 0.271 8.521 8.250 -0.000 0.000 0.429 96 V N 4.622 124.502 119.914 -0.058 0.000 2.529 96 V HA 0.030 4.150 4.120 -0.001 0.000 0.292 96 V C 0.335 176.437 176.094 0.012 0.000 1.028 96 V CA 0.097 62.400 62.300 0.005 0.000 1.074 96 V CB 0.730 32.508 31.823 -0.075 0.000 0.958 96 V HN 0.678 8.868 8.190 -0.000 0.000 0.481 97 K N 7.322 127.752 120.400 0.049 0.000 2.264 97 K HA 0.367 4.687 4.320 -0.001 0.000 0.277 97 K C -2.456 174.158 176.600 0.023 0.000 1.067 97 K CA -1.658 54.644 56.287 0.025 0.000 0.900 97 K CB 0.947 33.465 32.500 0.030 0.000 1.124 97 K HN 0.412 8.662 8.250 -0.000 0.000 0.469 98 P HA -0.043 4.377 4.420 -0.000 0.000 0.263 98 P C -0.791 176.519 177.300 0.016 0.000 1.195 98 P CA 0.076 63.185 63.100 0.014 0.000 0.762 98 P CB 1.003 32.706 31.700 0.006 0.000 0.799 99 S N 2.491 118.203 115.700 0.020 0.000 2.911 99 S HA 0.466 4.936 4.470 -0.001 0.000 0.319 99 S C 1.051 175.655 174.600 0.008 0.000 1.154 99 S CA -0.767 57.439 58.200 0.009 0.000 0.857 99 S CB 1.411 64.614 63.200 0.004 0.000 1.279 99 S HN 0.396 8.706 8.310 -0.000 0.000 0.593 100 R N -0.275 120.220 120.500 -0.008 0.000 2.161 100 R HA 0.111 4.450 4.340 -0.001 0.000 0.213 100 R C 1.693 177.990 176.300 -0.005 0.000 1.055 100 R CA 1.543 57.639 56.100 -0.007 0.000 0.996 100 R CB -1.213 29.077 30.300 -0.017 0.000 0.901 100 R HN 0.724 8.994 8.270 -0.000 0.000 0.456 101 T N -1.747 112.787 114.554 -0.034 0.000 3.037 101 T HA 0.334 4.683 4.350 -0.001 0.000 0.251 101 T C 0.754 175.483 174.700 0.049 0.000 1.079 101 T CA -0.116 61.968 62.100 -0.027 0.000 1.067 101 T CB 0.062 68.808 68.868 -0.203 0.000 0.948 101 T HN 0.126 8.366 8.240 -0.000 0.000 0.496 102 I N 0.927 121.523 120.570 0.044 0.000 2.478 102 I HA 0.616 4.786 4.170 -0.001 0.000 0.287 102 I C -0.565 175.589 176.117 0.062 0.000 1.042 102 I CA -1.038 60.305 61.300 0.071 0.000 1.067 102 I CB 2.231 40.287 38.000 0.093 0.000 1.233 102 I HN 0.033 8.243 8.210 -0.000 0.000 0.431 103 R N 6.464 127.011 120.500 0.079 0.000 2.579 103 R HA 0.434 4.773 4.340 -0.001 0.000 0.260 103 R C -3.068 173.306 176.300 0.124 0.000 1.103 103 R CA -1.391 54.758 56.100 0.080 0.000 0.942 103 R CB 2.808 33.154 30.300 0.077 0.000 1.251 103 R HN 0.189 8.459 8.270 -0.000 0.000 0.450 104 P HA 0.059 4.479 4.420 -0.000 0.000 0.269 104 P C -1.076 176.294 177.300 0.116 0.000 1.209 104 P CA -0.454 62.707 63.100 0.102 0.000 0.776 104 P CB 0.529 32.258 31.700 0.047 0.000 0.876 105 L N 2.868 124.147 121.223 0.095 0.000 2.289 105 L HA 0.589 4.929 4.340 -0.001 0.000 0.285 105 L C -0.034 176.821 176.870 -0.024 0.000 1.049 105 L CA -0.646 54.186 54.840 -0.013 0.000 0.804 105 L CB 0.433 42.324 42.059 -0.280 0.000 1.195 105 L HN 0.409 8.639 8.230 -0.000 0.000 0.428 106 A N 5.637 128.446 122.820 -0.018 0.000 2.445 106 A HA 0.370 4.689 4.320 -0.001 0.000 0.242 106 A C -0.052 177.518 177.584 -0.024 0.000 1.075 106 A CA -0.312 51.719 52.037 -0.010 0.000 0.777 106 A CB -0.178 18.821 19.000 -0.003 0.000 1.013 106 A HN 0.798 8.948 8.150 -0.000 0.000 0.493 107 L N 3.104 124.321 121.223 -0.010 0.000 2.436 107 L HA 0.301 4.640 4.340 -0.001 0.000 0.265 107 L C -1.435 175.430 176.870 -0.008 0.000 1.168 107 L CA -1.543 53.292 54.840 -0.009 0.000 0.815 107 L CB 0.294 42.352 42.059 -0.002 0.000 1.109 107 L HN 0.615 8.845 8.230 -0.000 0.000 0.462 108 P HA 0.070 4.490 4.420 -0.000 0.000 0.277 108 P C -0.491 176.810 177.300 0.002 0.000 1.271 108 P CA -0.520 62.578 63.100 -0.003 0.000 0.795 108 P CB 0.932 32.632 31.700 -0.001 0.000 1.101 109 S N -0.283 115.417 115.700 -0.000 0.000 2.566 109 S HA -0.028 4.442 4.470 -0.001 0.000 0.280 109 S C 1.423 176.025 174.600 0.003 0.000 1.343 109 S CA -0.032 58.169 58.200 0.000 0.000 1.036 109 S CB 0.011 63.210 63.200 -0.002 0.000 0.866 109 S HN 0.527 8.837 8.310 -0.000 0.000 0.526 110 K N 2.476 122.878 120.400 0.002 0.000 2.442 110 K HA -0.025 4.295 4.320 -0.001 0.000 0.198 110 K C 1.018 177.613 176.600 -0.007 0.000 1.042 110 K CA 0.712 57.000 56.287 0.001 0.000 0.958 110 K CB -0.151 32.349 32.500 0.001 0.000 0.766 110 K HN 0.668 8.918 8.250 -0.000 0.000 0.474 111 R N 1.538 122.034 120.500 -0.007 0.000 2.507 111 R HA 0.096 4.436 4.340 -0.001 0.000 0.298 111 R C -0.083 176.212 176.300 -0.008 0.000 0.999 111 R CA -0.255 55.839 56.100 -0.010 0.000 1.082 111 R CB -0.269 30.025 30.300 -0.010 0.000 1.246 111 R HN 0.289 8.559 8.270 -0.000 0.000 0.553 112 Q N 1.673 121.470 119.800 -0.005 0.000 2.300 112 Q HA 0.113 4.453 4.340 -0.001 0.000 0.280 112 Q C -0.928 175.068 176.000 -0.005 0.000 1.033 112 Q CA 0.177 55.978 55.803 -0.004 0.000 0.903 112 Q CB 1.001 29.738 28.738 -0.001 0.000 1.195 112 Q HN 0.014 8.284 8.270 -0.000 0.000 0.386 113 V N 4.750 124.661 119.914 -0.006 0.000 2.483 113 V HA 0.261 4.381 4.120 -0.001 0.000 0.295 113 V C -0.387 175.704 176.094 -0.005 0.000 1.035 113 V CA -0.718 61.578 62.300 -0.007 0.000 0.896 113 V CB 1.969 33.787 31.823 -0.009 0.000 0.986 113 V HN 0.635 8.825 8.190 -0.000 0.000 0.447 114 V N 4.547 124.458 119.914 -0.004 0.000 2.270 114 V HA 0.537 4.656 4.120 -0.001 0.000 0.263 114 V C 0.691 176.781 176.094 -0.007 0.000 1.066 114 V CA -0.609 61.688 62.300 -0.005 0.000 0.857 114 V CB 0.643 32.463 31.823 -0.004 0.000 1.099 114 V HN 0.935 9.125 8.190 -0.000 0.000 0.476 115 A N 3.907 126.723 122.820 -0.007 0.000 2.407 115 A HA 0.712 5.031 4.320 -0.001 0.000 0.248 115 A C 1.007 178.586 177.584 -0.009 0.000 1.082 115 A CA 0.214 52.246 52.037 -0.008 0.000 0.785 115 A CB 0.335 19.330 19.000 -0.008 0.000 1.020 115 A HN 1.399 9.549 8.150 -0.000 0.000 0.489 116 A N 0.799 123.613 122.820 -0.010 0.000 2.598 116 A HA 0.431 4.751 4.320 -0.001 0.000 0.239 116 A C 1.683 179.260 177.584 -0.012 0.000 1.032 116 A CA 1.161 53.190 52.037 -0.013 0.000 0.760 116 A CB -0.816 18.175 19.000 -0.016 0.000 0.946 116 A HN 2.780 10.930 8.150 -0.000 0.000 0.512 117 G N 1.718 110.511 108.800 -0.013 0.000 2.254 117 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.225 117 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.225 117 G C 0.531 175.426 174.900 -0.010 0.000 1.003 117 G CA 0.329 45.422 45.100 -0.011 0.000 0.622 117 G HN 1.398 9.688 8.290 -0.000 0.000 0.507 118 T N 3.734 118.282 114.554 -0.009 0.000 2.866 118 T HA 0.356 4.705 4.350 -0.001 0.000 0.293 118 T C 0.596 175.291 174.700 -0.008 0.000 1.005 118 T CA 0.214 62.310 62.100 -0.008 0.000 1.162 118 T CB 0.580 69.443 68.868 -0.008 0.000 0.968 118 T HN 0.308 8.548 8.240 -0.000 0.000 0.530 119 R N 2.441 122.937 120.500 -0.007 0.000 2.265 119 R HA 0.494 4.834 4.340 -0.001 0.000 0.314 119 R C -0.412 175.885 176.300 -0.005 0.000 1.053 119 R CA -0.330 55.766 56.100 -0.006 0.000 0.931 119 R CB 0.184 30.481 30.300 -0.005 0.000 1.024 119 R HN 0.659 8.929 8.270 -0.000 0.000 0.457 120 c N 0.319 118.916 118.600 -0.006 0.000 3.259 120 c HA 0.767 5.336 4.570 -0.001 0.000 0.328 120 c C -0.049 174.039 174.090 -0.003 0.000 1.425 120 c CA -0.743 55.582 56.329 -0.005 0.000 1.465 120 c CB 2.186 44.691 42.510 -0.009 0.000 1.890 120 c HN 0.938 9.168 8.230 -0.000 0.000 0.450 121 S N 0.051 115.751 115.700 -0.000 0.000 2.607 121 S HA 0.926 5.395 4.470 -0.001 0.000 0.273 121 S C -1.126 173.477 174.600 0.005 0.000 1.148 121 S CA -0.660 57.540 58.200 0.000 0.000 0.833 121 S CB 1.558 64.760 63.200 0.004 0.000 1.130 121 S HN 0.997 9.307 8.310 -0.000 0.000 0.470 122 M N 0.215 119.814 119.600 -0.001 0.000 2.618 122 M HA 1.003 5.483 4.480 -0.001 0.000 0.281 122 M C -0.950 175.336 176.300 -0.022 0.000 1.267 122 M CA -0.815 54.488 55.300 0.005 0.000 0.845 122 M CB 1.541 34.143 32.600 0.003 0.000 1.732 122 M HN 1.117 9.407 8.290 -0.000 0.000 0.461 123 A N 0.110 122.913 122.820 -0.028 0.000 2.435 123 A HA 1.071 5.391 4.320 -0.001 0.000 0.304 123 A C -0.381 177.108 177.584 -0.158 0.000 1.064 123 A CA -0.143 51.819 52.037 -0.125 0.000 0.727 123 A CB 1.503 20.407 19.000 -0.160 0.000 1.284 123 A HN 1.697 9.847 8.150 -0.000 0.000 0.415 124 G N -0.705 107.920 108.800 -0.292 0.000 2.466 124 G HA2 0.444 4.404 3.960 -0.001 0.000 0.291 124 G HA3 0.444 4.404 3.960 -0.001 0.000 0.291 124 G C -0.748 173.927 174.900 -0.376 0.000 1.460 124 G CA -0.482 44.465 45.100 -0.254 0.000 0.791 124 G HN 0.698 8.988 8.290 -0.000 0.000 0.505 125 W N 1.045 122.234 121.300 -0.184 0.000 3.239 125 W HA 0.336 4.996 4.660 0.001 0.000 0.368 125 W C 1.163 177.542 176.519 -0.234 0.000 1.154 125 W CA -0.140 57.020 57.345 -0.309 0.000 1.860 125 W CB 0.802 29.894 29.460 -0.614 0.000 1.094 125 W HN 0.790 8.970 8.180 -0.000 0.000 0.643 126 G N 1.017 109.867 108.800 0.083 0.000 2.683 126 G HA2 0.212 4.172 3.960 -0.001 0.000 0.260 126 G HA3 0.212 4.172 3.960 -0.001 0.000 0.260 126 G C -0.278 174.662 174.900 0.066 0.000 1.238 126 G CA -0.578 44.592 45.100 0.116 0.000 0.934 126 G HN -0.154 8.136 8.290 -0.000 0.000 0.534 127 L N -0.278 120.993 121.223 0.080 0.000 2.573 127 L HA 0.066 4.406 4.340 -0.001 0.000 0.290 127 L C 2.195 179.073 176.870 0.013 0.000 1.247 127 L CA 1.347 56.224 54.840 0.061 0.000 0.876 127 L CB 0.882 42.986 42.059 0.075 0.000 1.123 127 L HN 0.753 8.983 8.230 -0.000 0.000 0.505 128 T N -1.823 112.731 114.554 -0.000 0.000 3.022 128 T HA 0.232 4.582 4.350 -0.001 0.000 0.250 128 T C 0.325 174.794 174.700 -0.386 0.000 1.060 128 T CA 0.121 62.135 62.100 -0.144 0.000 1.013 128 T CB -0.132 68.674 68.868 -0.102 0.000 0.982 128 T HN 0.583 8.823 8.240 -0.000 0.000 0.508 129 H N -0.061 119.023 119.070 0.023 0.000 3.012 129 H HA 0.580 5.136 4.556 -0.000 0.000 0.367 129 H C -1.027 174.318 175.328 0.028 0.000 1.211 129 H CA -1.061 55.000 56.048 0.022 0.000 1.139 129 H CB 1.383 31.156 29.762 0.018 0.000 1.838 129 H HN -0.034 8.246 8.280 -0.000 0.000 0.550 130 Q N 0.885 120.775 119.800 0.150 0.000 2.269 130 Q HA 0.226 4.565 4.340 -0.001 0.000 0.300 130 Q C 1.019 177.075 176.000 0.094 0.000 1.070 130 Q CA 1.569 57.432 55.803 0.099 0.000 0.957 130 Q CB -0.088 28.696 28.738 0.077 0.000 1.131 130 Q HN 0.964 9.234 8.270 -0.000 0.000 0.377 131 G N 2.646 111.492 108.800 0.076 0.000 2.203 131 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.263 131 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.263 131 G C 0.404 175.343 174.900 0.066 0.000 1.012 131 G CA 0.362 45.500 45.100 0.062 0.000 0.749 131 G HN 0.961 9.251 8.290 -0.000 0.000 0.512 132 G N -0.983 107.872 108.800 0.092 0.000 3.022 132 G HA2 0.728 4.687 3.960 -0.001 0.000 0.157 132 G HA3 0.728 4.687 3.960 -0.001 0.000 0.157 132 G C 0.203 175.154 174.900 0.085 0.000 1.468 132 G CA -0.466 44.693 45.100 0.099 0.000 1.058 132 G HN 0.545 8.835 8.290 -0.000 0.000 0.581 133 R N -1.731 118.825 120.500 0.094 0.000 2.888 133 R HA 0.513 4.853 4.340 -0.001 0.000 0.264 133 R C -0.513 175.834 176.300 0.079 0.000 1.045 133 R CA -0.843 55.303 56.100 0.077 0.000 0.962 133 R CB 1.634 31.970 30.300 0.061 0.000 1.210 133 R HN 0.277 8.547 8.270 -0.000 0.000 0.479 134 L N 0.732 121.998 121.223 0.071 0.000 2.483 134 L HA 0.063 4.402 4.340 -0.001 0.000 0.275 134 L C 0.740 177.643 176.870 0.056 0.000 1.220 134 L CA 0.268 55.148 54.840 0.066 0.000 0.833 134 L CB 0.690 42.782 42.059 0.057 0.000 1.102 134 L HN 0.547 8.777 8.230 -0.000 0.000 0.490 135 S N 1.178 116.911 115.700 0.054 0.000 2.562 135 S HA 0.121 4.591 4.470 -0.001 0.000 0.281 135 S C 1.190 175.840 174.600 0.085 0.000 1.333 135 S CA -0.357 57.874 58.200 0.051 0.000 1.052 135 S CB 0.647 63.854 63.200 0.013 0.000 0.884 135 S HN 0.578 8.888 8.310 -0.000 0.000 0.506 136 R N 1.644 122.180 120.500 0.060 0.000 2.153 136 R HA 0.076 4.415 4.340 -0.001 0.000 0.218 136 R C 0.526 176.877 176.300 0.085 0.000 1.072 136 R CA 0.899 57.033 56.100 0.056 0.000 0.990 136 R CB -0.155 30.168 30.300 0.037 0.000 0.889 136 R HN 0.624 8.894 8.270 -0.000 0.000 0.452 137 V N -1.305 118.637 119.914 0.046 0.000 2.864 137 V HA 0.363 4.483 4.120 -0.001 0.000 0.314 137 V C -0.382 175.535 176.094 -0.295 0.000 1.073 137 V CA -1.617 60.610 62.300 -0.122 0.000 0.956 137 V CB 1.770 33.496 31.823 -0.162 0.000 1.023 137 V HN -0.112 8.078 8.190 -0.000 0.000 0.435 138 L N 3.629 124.440 121.223 -0.685 0.000 2.513 138 L HA 0.456 4.796 4.340 -0.001 0.000 0.272 138 L C 0.361 176.878 176.870 -0.589 0.000 1.187 138 L CA 0.891 55.083 54.840 -1.081 0.000 0.895 138 L CB -0.186 41.238 42.059 -1.059 0.000 1.147 138 L HN 0.847 9.077 8.230 -0.000 0.000 0.483 139 R N 3.741 123.941 120.500 -0.501 0.000 2.919 139 R HA 0.671 5.011 4.340 -0.001 0.000 0.260 139 R C -1.033 175.131 176.300 -0.227 0.000 1.067 139 R CA -0.875 55.064 56.100 -0.269 0.000 1.003 139 R CB 1.819 32.005 30.300 -0.190 0.000 1.192 139 R HN 0.774 9.044 8.270 -0.000 0.000 0.488 140 E N 0.879 120.995 120.200 -0.139 0.000 2.393 140 E HA 0.592 4.942 4.350 -0.001 0.000 0.273 140 E C -1.638 174.922 176.600 -0.068 0.000 0.918 140 E CA -1.006 55.334 56.400 -0.100 0.000 0.773 140 E CB 2.073 31.727 29.700 -0.077 0.000 1.275 140 E HN 0.198 8.558 8.360 -0.000 0.000 0.451 141 L N 1.604 122.799 121.223 -0.048 0.000 2.543 141 L HA 0.386 4.725 4.340 -0.001 0.000 0.265 141 L C -1.864 174.993 176.870 -0.023 0.000 0.945 141 L CA -0.424 54.395 54.840 -0.035 0.000 0.869 141 L CB 1.986 44.024 42.059 -0.035 0.000 1.294 141 L HN 0.568 8.798 8.230 -0.000 0.000 0.405 142 D N 4.796 125.185 120.400 -0.018 0.000 2.390 142 D HA 0.516 5.156 4.640 -0.001 0.000 0.249 142 D C -0.542 175.751 176.300 -0.011 0.000 1.144 142 D CA 0.700 54.693 54.000 -0.012 0.000 0.880 142 D CB 0.831 41.624 40.800 -0.011 0.000 1.182 142 D HN 0.443 8.813 8.370 -0.000 0.000 0.451 143 L N 1.497 122.714 121.223 -0.009 0.000 2.371 143 L HA 0.433 4.773 4.340 -0.001 0.000 0.262 143 L C -0.201 176.664 176.870 -0.007 0.000 1.006 143 L CA -0.890 53.945 54.840 -0.008 0.000 0.818 143 L CB 2.320 44.374 42.059 -0.008 0.000 1.354 143 L HN 0.217 8.447 8.230 -0.000 0.000 0.415 144 Q N 1.152 120.948 119.800 -0.006 0.000 2.342 144 Q HA 0.548 4.887 4.340 -0.001 0.000 0.267 144 Q C -1.547 174.449 176.000 -0.007 0.000 1.038 144 Q CA -0.738 55.060 55.803 -0.007 0.000 0.832 144 Q CB 2.625 31.358 28.738 -0.008 0.000 1.323 144 Q HN 0.456 8.726 8.270 -0.000 0.000 0.448 145 V N 4.908 124.816 119.914 -0.009 0.000 2.508 145 V HA 0.189 4.309 4.120 -0.001 0.000 0.281 145 V C 0.286 176.373 176.094 -0.011 0.000 1.041 145 V CA -0.099 62.196 62.300 -0.010 0.000 1.016 145 V CB 0.584 32.401 31.823 -0.011 0.000 0.984 145 V HN 0.706 8.896 8.190 -0.000 0.000 0.478 146 L N 3.055 124.273 121.223 -0.009 0.000 2.375 146 L HA 0.451 4.791 4.340 -0.001 0.000 0.268 146 L C 0.270 177.128 176.870 -0.020 0.000 1.058 146 L CA -0.752 54.076 54.840 -0.019 0.000 0.803 146 L CB 1.153 43.200 42.059 -0.020 0.000 1.212 146 L HN 0.595 8.825 8.230 -0.000 0.000 0.451 147 D N 0.235 120.615 120.400 -0.033 0.000 2.434 147 D HA -0.019 4.620 4.640 -0.001 0.000 0.252 147 D C 0.975 177.264 176.300 -0.018 0.000 1.185 147 D CA 0.205 54.188 54.000 -0.027 0.000 0.886 147 D CB 1.207 41.985 40.800 -0.037 0.000 1.148 147 D HN 0.496 8.866 8.370 -0.000 0.000 0.483 148 T N 3.733 118.287 114.554 -0.001 0.000 2.720 148 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 148 T C 1.822 176.539 174.700 0.028 0.000 1.037 148 T CA 1.192 63.304 62.100 0.020 0.000 1.144 148 T CB -0.136 68.744 68.868 0.019 0.000 0.864 148 T HN 0.455 8.695 8.240 -0.000 0.000 0.444 149 R N 0.287 120.794 120.500 0.011 0.000 2.081 149 R HA 0.015 4.355 4.340 -0.001 0.000 0.235 149 R C 2.542 178.840 176.300 -0.003 0.000 1.131 149 R CA 1.266 57.373 56.100 0.012 0.000 0.960 149 R CB -0.287 30.015 30.300 0.003 0.000 0.856 149 R HN 0.352 8.622 8.270 -0.000 0.000 0.436 150 M N -0.217 119.356 119.600 -0.045 0.000 2.132 150 M HA -0.195 4.285 4.480 -0.001 0.000 0.263 150 M C 2.046 178.246 176.300 -0.167 0.000 1.065 150 M CA 1.534 56.759 55.300 -0.125 0.000 1.122 150 M CB -0.110 32.386 32.600 -0.172 0.000 1.365 150 M HN 0.373 8.663 8.290 -0.000 0.000 0.411 151 c N 0.918 119.479 118.600 -0.064 0.000 2.419 151 c HA -0.087 4.483 4.570 -0.001 0.000 0.283 151 c C 2.029 176.272 174.090 0.255 0.000 1.373 151 c CA 0.767 57.148 56.329 0.086 0.000 1.781 151 c CB -1.658 40.963 42.510 0.184 0.000 1.886 151 c HN 0.582 8.812 8.230 -0.000 0.000 0.520 152 N N 1.188 119.991 118.700 0.172 0.000 2.336 152 N HA 0.012 4.751 4.740 -0.001 0.000 0.189 152 N C 0.378 175.996 175.510 0.180 0.000 1.113 152 N CA 0.097 53.270 53.050 0.206 0.000 0.858 152 N CB -0.510 38.058 38.487 0.136 0.000 0.970 152 N HN 0.618 8.998 8.380 -0.000 0.000 0.471 153 N N 0.984 119.778 118.700 0.157 0.000 2.345 153 N HA -0.105 4.634 4.740 -0.001 0.000 0.243 153 N C 1.292 176.927 175.510 0.207 0.000 1.246 153 N CA 0.548 53.694 53.050 0.160 0.000 0.863 153 N CB 0.845 39.415 38.487 0.138 0.000 1.096 153 N HN 0.128 8.508 8.380 -0.000 0.000 0.446 154 S N 4.133 119.918 115.700 0.142 0.000 2.392 154 S HA -0.159 4.310 4.470 -0.001 0.000 0.232 154 S C 1.528 176.174 174.600 0.077 0.000 1.041 154 S CA 0.804 59.063 58.200 0.099 0.000 1.026 154 S CB -0.083 63.151 63.200 0.057 0.000 0.845 154 S HN 0.649 8.959 8.310 -0.000 0.000 0.465 155 R N -0.184 120.388 120.500 0.119 0.000 2.236 155 R HA 0.317 4.656 4.340 -0.001 0.000 0.208 155 R C 0.941 177.210 176.300 -0.053 0.000 1.036 155 R CA 0.339 56.434 56.100 -0.008 0.000 1.001 155 R CB -0.503 29.778 30.300 -0.032 0.000 0.896 155 R HN 0.521 8.791 8.270 -0.000 0.000 0.464 156 F N -1.495 118.467 119.950 0.020 0.000 2.646 156 F HA 0.069 4.596 4.527 0.000 0.000 0.180 156 F C 1.549 177.245 175.800 -0.173 0.000 1.185 156 F CA -0.409 57.558 58.000 -0.054 0.000 0.926 156 F CB -0.416 38.606 39.000 0.036 0.000 1.668 156 F HN -0.151 8.149 8.300 -0.000 0.000 0.658 157 W N 1.148 122.643 121.300 0.325 0.000 3.345 157 W HA 0.187 4.846 4.660 -0.001 0.000 0.282 157 W C 0.354 176.960 176.519 0.146 0.000 1.302 157 W CA 0.280 57.752 57.345 0.211 0.000 1.724 157 W CB -0.224 29.373 29.460 0.228 0.000 1.104 157 W HN 0.256 8.436 8.180 -0.000 0.000 0.694 158 N N 0.410 119.285 118.700 0.291 0.000 2.738 158 N HA -0.223 4.516 4.740 -0.001 0.000 0.249 158 N C 0.928 176.542 175.510 0.174 0.000 1.047 158 N CA 0.573 53.735 53.050 0.187 0.000 0.707 158 N CB -1.062 37.507 38.487 0.137 0.000 0.937 158 N HN 0.454 8.834 8.380 -0.000 0.000 0.545 159 G N -1.035 107.870 108.800 0.175 0.000 2.184 159 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.264 159 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.264 159 G C 0.610 175.583 174.900 0.122 0.000 0.975 159 G CA 1.064 46.239 45.100 0.126 0.000 0.642 159 G HN 1.243 9.533 8.290 -0.000 0.000 0.536 160 S N -0.739 115.063 115.700 0.170 0.000 2.556 160 S HA 0.530 5.000 4.470 -0.001 0.000 0.216 160 S C 0.836 175.481 174.600 0.076 0.000 0.970 160 S CA -0.237 58.030 58.200 0.112 0.000 0.912 160 S CB 0.185 63.460 63.200 0.125 0.000 0.790 160 S HN 0.497 8.807 8.310 -0.000 0.000 0.504 161 L N 3.515 124.802 121.223 0.106 0.000 2.265 161 L HA 0.440 4.780 4.340 -0.001 0.000 0.288 161 L C 0.771 177.670 176.870 0.049 0.000 1.058 161 L CA -0.614 54.266 54.840 0.066 0.000 0.809 161 L CB 1.138 43.238 42.059 0.067 0.000 1.179 161 L HN 0.314 8.544 8.230 -0.000 0.000 0.429 162 S N 3.123 118.844 115.700 0.034 0.000 2.634 162 S HA 0.329 4.799 4.470 -0.001 0.000 0.261 162 S C -1.791 172.820 174.600 0.018 0.000 1.271 162 S CA -1.062 57.152 58.200 0.023 0.000 0.985 162 S CB 0.858 64.068 63.200 0.017 0.000 0.968 162 S HN 0.437 8.747 8.310 -0.000 0.000 0.568 163 P HA 0.114 4.534 4.420 -0.000 0.000 0.230 163 P C 0.718 178.017 177.300 -0.001 0.000 1.158 163 P CA 0.655 63.754 63.100 -0.000 0.000 0.769 163 P CB -0.037 31.656 31.700 -0.012 0.000 0.807 164 S N -1.568 114.139 115.700 0.012 0.000 2.575 164 S HA 0.212 4.682 4.470 -0.001 0.000 0.215 164 S C 0.781 175.423 174.600 0.070 0.000 0.966 164 S CA 0.294 58.520 58.200 0.044 0.000 0.911 164 S CB -0.398 62.852 63.200 0.083 0.000 0.780 164 S HN 0.153 8.463 8.310 -0.000 0.000 0.514 165 M N 1.394 121.013 119.600 0.032 0.000 2.472 165 M HA 0.418 4.897 4.480 -0.001 0.000 0.331 165 M C -1.112 175.172 176.300 -0.026 0.000 1.170 165 M CA -0.438 54.861 55.300 -0.002 0.000 1.009 165 M CB 2.061 34.654 32.600 -0.011 0.000 1.672 165 M HN -0.212 8.078 8.290 -0.000 0.000 0.453 166 V N 1.892 121.772 119.914 -0.057 0.000 2.350 166 V HA 0.247 4.367 4.120 -0.001 0.000 0.285 166 V C -0.655 175.397 176.094 -0.071 0.000 1.014 166 V CA -0.875 61.398 62.300 -0.045 0.000 0.831 166 V CB 1.488 33.291 31.823 -0.033 0.000 1.000 166 V HN 1.020 9.210 8.190 -0.000 0.000 0.433 167 c N 7.451 126.029 118.600 -0.036 0.000 2.452 167 c HA 0.782 5.351 4.570 -0.001 0.000 0.379 167 c C -0.233 173.861 174.090 0.006 0.000 1.275 167 c CA -0.326 55.998 56.329 -0.007 0.000 2.056 167 c CB -0.671 41.873 42.510 0.056 0.000 2.506 167 c HN 0.848 9.078 8.230 -0.000 0.000 0.560 168 L N 5.138 126.373 121.223 0.021 0.000 2.388 168 L HA 0.817 5.157 4.340 -0.001 0.000 0.264 168 L C -0.162 176.729 176.870 0.034 0.000 0.998 168 L CA -0.347 54.500 54.840 0.012 0.000 0.817 168 L CB 1.890 43.943 42.059 -0.010 0.000 1.338 168 L HN 0.815 9.045 8.230 -0.000 0.000 0.414 169 A N 1.385 124.216 122.820 0.019 0.000 2.455 169 A HA 0.892 5.211 4.320 -0.001 0.000 0.300 169 A C -0.641 176.946 177.584 0.005 0.000 1.040 169 A CA -0.299 51.749 52.037 0.020 0.000 0.697 169 A CB 1.636 20.648 19.000 0.020 0.000 1.265 169 A HN 0.770 8.920 8.150 -0.000 0.000 0.407 170 A N 0.601 123.422 122.820 0.002 0.000 2.296 170 A HA 0.489 4.808 4.320 -0.001 0.000 0.264 170 A C 0.507 178.086 177.584 -0.008 0.000 1.097 170 A CA 0.018 52.052 52.037 -0.006 0.000 0.811 170 A CB 0.063 19.058 19.000 -0.009 0.000 1.072 170 A HN 0.763 8.913 8.150 -0.000 0.000 0.495 171 D N -0.484 119.910 120.400 -0.010 0.000 2.312 171 D HA 0.014 4.653 4.640 -0.001 0.000 0.211 171 D C 0.706 176.999 176.300 -0.012 0.000 0.964 171 D CA 1.621 55.615 54.000 -0.010 0.000 0.877 171 D CB 0.109 40.903 40.800 -0.010 0.000 0.924 171 D HN 0.439 8.809 8.370 -0.000 0.000 0.515 172 S N -0.099 115.593 115.700 -0.013 0.000 2.570 172 S HA 0.248 4.718 4.470 -0.001 0.000 0.286 172 S C 0.890 175.479 174.600 -0.018 0.000 1.099 172 S CA -0.812 57.379 58.200 -0.015 0.000 0.913 172 S CB 2.081 65.272 63.200 -0.013 0.000 1.085 172 S HN -0.173 8.137 8.310 -0.000 0.000 0.480 173 K N 1.447 121.833 120.400 -0.023 0.000 2.360 173 K HA 0.000 4.320 4.320 -0.001 0.000 0.201 173 K C -0.246 176.339 176.600 -0.025 0.000 1.046 173 K CA 1.026 57.293 56.287 -0.032 0.000 0.945 173 K CB -0.443 32.034 32.500 -0.038 0.000 0.750 173 K HN 0.616 8.866 8.250 -0.000 0.000 0.464 174 D N 1.343 121.732 120.400 -0.017 0.000 2.463 174 D HA 0.100 4.740 4.640 -0.001 0.000 0.224 174 D C -0.384 175.904 176.300 -0.020 0.000 1.174 174 D CA 0.086 54.078 54.000 -0.013 0.000 0.829 174 D CB 0.528 41.325 40.800 -0.005 0.000 0.993 174 D HN 0.282 8.652 8.370 -0.000 0.000 0.497 175 Q N 0.436 120.223 119.800 -0.021 0.000 2.337 175 Q HA 0.752 5.091 4.340 -0.001 0.000 0.270 175 Q C -0.975 175.015 176.000 -0.016 0.000 1.043 175 Q CA -0.791 54.997 55.803 -0.026 0.000 0.794 175 Q CB 3.181 31.904 28.738 -0.024 0.000 1.281 175 Q HN 0.065 8.335 8.270 -0.000 0.000 0.446 176 A N 2.793 125.604 122.820 -0.016 0.000 2.594 176 A HA 0.675 4.995 4.320 -0.001 0.000 0.296 176 A C -2.898 174.687 177.584 0.001 0.000 1.056 176 A CA -1.229 50.808 52.037 0.001 0.000 0.693 176 A CB 1.142 20.151 19.000 0.015 0.000 1.278 176 A HN 0.413 8.563 8.150 -0.000 0.000 0.408 177 P HA 0.484 4.904 4.420 -0.000 0.000 0.270 177 P C -0.122 177.203 177.300 0.042 0.000 1.223 177 P CA -0.121 62.992 63.100 0.022 0.000 0.785 177 P CB 0.809 32.527 31.700 0.030 0.000 0.923 178 c N 0.879 119.511 118.600 0.054 0.000 3.295 178 c HA 0.386 4.956 4.570 -0.001 0.000 0.370 178 c C -0.153 173.997 174.090 0.101 0.000 1.974 178 c CA -0.755 55.617 56.329 0.072 0.000 1.282 178 c CB 1.248 43.789 42.510 0.053 0.000 2.380 178 c HN 0.574 8.804 8.230 -0.000 0.000 0.443 179 K N 0.388 120.852 120.400 0.107 0.000 2.472 179 K HA 0.369 4.689 4.320 -0.001 0.000 0.280 179 K C 0.889 177.588 176.600 0.166 0.000 1.028 179 K CA 1.570 57.935 56.287 0.130 0.000 1.045 179 K CB -0.096 32.471 32.500 0.112 0.000 0.902 179 K HN 1.348 9.598 8.250 -0.000 0.000 0.478 180 G N 3.813 112.737 108.800 0.207 0.000 2.218 180 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.216 180 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.216 180 G C 0.457 175.578 174.900 0.368 0.000 0.994 180 G CA 0.166 45.460 45.100 0.322 0.000 0.637 180 G HN 0.725 9.015 8.290 -0.000 0.000 0.505 181 D N 0.850 121.389 120.400 0.232 0.000 2.327 181 D HA 0.153 4.793 4.640 -0.001 0.000 0.205 181 D C 1.945 178.344 176.300 0.165 0.000 0.989 181 D CA 1.014 55.125 54.000 0.184 0.000 0.873 181 D CB 0.182 41.046 40.800 0.107 0.000 0.955 181 D HN 0.675 9.045 8.370 -0.000 0.000 0.515 182 S N -0.807 114.999 115.700 0.177 0.000 2.566 182 S HA 0.306 4.775 4.470 -0.001 0.000 0.280 182 S C 1.471 176.131 174.600 0.101 0.000 1.343 182 S CA 0.540 58.841 58.200 0.169 0.000 1.036 182 S CB 1.473 64.864 63.200 0.318 0.000 0.866 182 S HN 0.382 8.692 8.310 -0.000 0.000 0.526 183 G N 1.981 110.814 108.800 0.054 0.000 2.299 183 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.237 183 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.237 183 G C 0.595 175.536 174.900 0.069 0.000 1.027 183 G CA 0.141 45.255 45.100 0.024 0.000 0.619 183 G HN 1.560 9.850 8.290 -0.000 0.000 0.513 184 G N 1.536 110.396 108.800 0.100 0.000 2.569 184 G HA2 0.577 4.536 3.960 -0.001 0.000 0.249 184 G HA3 0.577 4.536 3.960 -0.001 0.000 0.249 184 G C -1.947 172.997 174.900 0.074 0.000 1.216 184 G CA -0.132 45.037 45.100 0.114 0.000 0.845 184 G HN 0.401 8.691 8.290 -0.000 0.000 0.568 185 P HA 0.261 4.681 4.420 -0.000 0.000 0.282 185 P C -0.772 176.532 177.300 0.007 0.000 1.249 185 P CA -0.642 62.468 63.100 0.017 0.000 0.806 185 P CB 1.842 33.516 31.700 -0.045 0.000 0.984 186 L N 4.824 126.037 121.223 -0.015 0.000 2.264 186 L HA 0.391 4.731 4.340 -0.001 0.000 0.289 186 L C -0.420 176.427 176.870 -0.038 0.000 1.044 186 L CA -0.702 54.128 54.840 -0.017 0.000 0.807 186 L CB 0.974 43.023 42.059 -0.016 0.000 1.192 186 L HN 0.222 8.452 8.230 -0.000 0.000 0.425 187 V N 2.811 122.705 119.914 -0.033 0.000 2.435 187 V HA 0.702 4.821 4.120 -0.001 0.000 0.290 187 V C -0.239 175.843 176.094 -0.020 0.000 1.030 187 V CA -0.536 61.737 62.300 -0.045 0.000 0.881 187 V CB 0.915 32.705 31.823 -0.055 0.000 0.983 187 V HN 0.897 9.087 8.190 -0.000 0.000 0.445 188 c N 3.589 122.176 118.600 -0.021 0.000 2.719 188 c HA 1.030 5.600 4.570 -0.001 0.000 0.327 188 c C 0.977 175.062 174.090 -0.009 0.000 1.238 188 c CA 0.265 56.587 56.329 -0.012 0.000 1.727 188 c CB 0.785 43.287 42.510 -0.012 0.000 2.256 188 c HN 2.012 10.242 8.230 -0.000 0.000 0.489 189 G N 1.446 110.243 108.800 -0.005 0.000 2.860 189 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.553 189 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.553 189 G C 0.514 175.414 174.900 0.001 0.000 1.439 189 G CA 0.305 45.403 45.100 -0.003 0.000 0.879 189 G HN 1.049 9.339 8.290 -0.000 0.000 0.545 190 K N -0.029 120.372 120.400 0.002 0.000 2.097 190 K HA -0.038 4.282 4.320 -0.001 0.000 0.206 190 K C 2.477 179.081 176.600 0.008 0.000 1.049 190 K CA 2.141 58.431 56.287 0.005 0.000 0.933 190 K CB -0.728 31.774 32.500 0.003 0.000 0.717 190 K HN 0.952 9.202 8.250 -0.000 0.000 0.442 191 G N 0.757 109.560 108.800 0.005 0.000 2.848 191 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.208 191 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.208 191 G C -0.264 174.641 174.900 0.008 0.000 1.152 191 G CA -0.105 44.999 45.100 0.007 0.000 0.789 191 G HN 0.417 8.707 8.290 -0.000 0.000 0.531 192 R N -1.179 119.324 120.500 0.006 0.000 3.127 192 R HA -0.147 4.193 4.340 -0.001 0.000 0.247 192 R C -0.555 175.732 176.300 -0.022 0.000 0.896 192 R CA 0.065 56.167 56.100 0.005 0.000 0.624 192 R CB -2.129 28.191 30.300 0.034 0.000 1.154 192 R HN 0.196 8.466 8.270 -0.000 0.000 0.474 193 V N 1.743 121.640 119.914 -0.029 0.000 2.607 193 V HA 0.186 4.305 4.120 -0.001 0.000 0.289 193 V C 0.757 176.810 176.094 -0.067 0.000 1.053 193 V CA -0.716 61.558 62.300 -0.044 0.000 0.996 193 V CB 1.415 33.222 31.823 -0.026 0.000 0.995 193 V HN 0.311 8.501 8.190 -0.000 0.000 0.476 194 L N 4.530 125.697 121.223 -0.093 0.000 2.477 194 L HA 0.440 4.779 4.340 -0.001 0.000 0.272 194 L C 0.813 177.653 176.870 -0.050 0.000 1.157 194 L CA 1.168 55.945 54.840 -0.105 0.000 0.889 194 L CB 0.612 42.599 42.059 -0.120 0.000 1.158 194 L HN 0.792 9.022 8.230 -0.000 0.000 0.473 195 A N 3.507 126.304 122.820 -0.038 0.000 2.340 195 A HA 0.721 5.040 4.320 -0.001 0.000 0.213 195 A C 0.638 178.224 177.584 0.003 0.000 1.299 195 A CA 0.489 52.519 52.037 -0.012 0.000 0.994 195 A CB 0.063 19.055 19.000 -0.012 0.000 1.132 195 A HN 0.885 9.035 8.150 -0.000 0.000 0.519 196 G N -1.415 107.381 108.800 -0.007 0.000 2.660 196 G HA2 0.509 4.469 3.960 -0.001 0.000 0.290 196 G HA3 0.509 4.469 3.960 -0.001 0.000 0.290 196 G C -1.892 173.004 174.900 -0.006 0.000 1.432 196 G CA -0.308 44.792 45.100 0.001 0.000 0.807 196 G HN 0.431 8.721 8.290 -0.000 0.000 0.485 197 V N 0.858 120.768 119.914 -0.007 0.000 2.483 197 V HA 0.394 4.513 4.120 -0.001 0.000 0.297 197 V C 0.095 176.186 176.094 -0.004 0.000 1.027 197 V CA -0.598 61.700 62.300 -0.002 0.000 0.855 197 V CB 1.270 33.088 31.823 -0.008 0.000 0.995 197 V HN 0.685 8.875 8.190 -0.000 0.000 0.424 198 L N 3.313 124.542 121.223 0.009 0.000 2.514 198 L HA 0.129 4.468 4.340 -0.001 0.000 0.280 198 L C 1.298 178.201 176.870 0.055 0.000 1.223 198 L CA 1.221 56.065 54.840 0.008 0.000 0.864 198 L CB 0.910 42.986 42.059 0.029 0.000 1.118 198 L HN 0.823 9.053 8.230 -0.000 0.000 0.494 199 S N 2.069 117.787 115.700 0.031 0.000 3.334 199 S HA 0.443 4.913 4.470 -0.001 0.000 0.224 199 S C -0.348 174.394 174.600 0.236 0.000 0.959 199 S CA -0.159 58.150 58.200 0.183 0.000 0.815 199 S CB 0.323 63.621 63.200 0.163 0.000 0.861 199 S HN 0.458 8.768 8.310 -0.000 0.000 0.596 200 F N 0.887 120.836 119.950 -0.003 0.000 2.713 200 F HA 0.834 5.361 4.527 0.001 0.000 0.311 200 F C -0.422 175.399 175.800 0.034 0.000 1.141 200 F CA -0.327 57.651 58.000 -0.037 0.000 0.939 200 F CB 1.129 40.049 39.000 -0.134 0.000 1.325 200 F HN 0.248 8.548 8.300 -0.000 0.000 0.453 201 S N 0.531 116.472 115.700 0.401 0.000 3.605 201 S HA 0.836 5.305 4.470 -0.001 0.000 0.301 201 S C -0.556 174.471 174.600 0.711 0.000 1.083 201 S CA 0.019 58.529 58.200 0.517 0.000 1.109 201 S CB 0.677 64.048 63.200 0.284 0.000 1.364 201 S HN 1.431 9.741 8.310 -0.000 0.000 0.758 202 S N -0.382 115.600 115.700 0.470 0.000 2.767 202 S HA 0.529 4.999 4.470 -0.001 0.000 0.300 202 S C 0.910 175.618 174.600 0.180 0.000 1.123 202 S CA -0.782 57.602 58.200 0.307 0.000 0.992 202 S CB 1.202 64.463 63.200 0.103 0.000 1.138 202 S HN 0.807 9.117 8.310 -0.000 0.000 0.550 203 R N -0.570 120.000 120.500 0.117 0.000 2.105 203 R HA 0.004 4.344 4.340 -0.001 0.000 0.239 203 R C -0.122 176.222 176.300 0.074 0.000 1.135 203 R CA 1.125 57.275 56.100 0.084 0.000 0.967 203 R CB -0.483 29.851 30.300 0.057 0.000 0.861 203 R HN 0.568 8.838 8.270 -0.000 0.000 0.442 204 V N 0.551 120.502 119.914 0.062 0.000 2.383 204 V HA 0.006 4.126 4.120 -0.001 0.000 0.275 204 V C 1.206 177.337 176.094 0.061 0.000 1.036 204 V CA -0.552 61.779 62.300 0.052 0.000 0.889 204 V CB 1.331 33.173 31.823 0.032 0.000 0.985 204 V HN 0.423 8.613 8.190 -0.000 0.000 0.459 205 c N 2.855 121.493 118.600 0.062 0.000 2.425 205 c HA -0.101 4.469 4.570 -0.001 0.000 0.277 205 c C 2.467 176.586 174.090 0.048 0.000 1.280 205 c CA 1.500 57.869 56.329 0.066 0.000 1.744 205 c CB -0.923 41.622 42.510 0.058 0.000 1.989 205 c HN 0.990 9.220 8.230 -0.000 0.000 0.491 206 T N -2.040 112.531 114.554 0.028 0.000 3.163 206 T HA 0.027 4.376 4.350 -0.001 0.000 0.252 206 T C 0.116 174.808 174.700 -0.014 0.000 1.056 206 T CA 0.008 62.112 62.100 0.007 0.000 0.947 206 T CB -0.454 68.416 68.868 0.003 0.000 1.016 206 T HN 0.405 8.645 8.240 -0.000 0.000 0.554 207 D N 2.736 123.131 120.400 -0.008 0.000 2.479 207 D HA -0.053 4.587 4.640 -0.001 0.000 0.257 207 D C 1.489 177.723 176.300 -0.111 0.000 1.230 207 D CA -0.423 53.554 54.000 -0.038 0.000 0.912 207 D CB 0.296 41.078 40.800 -0.030 0.000 1.130 207 D HN 0.574 8.944 8.370 -0.000 0.000 0.515 208 I N 0.799 121.240 120.570 -0.216 0.000 2.756 208 I HA -0.127 4.042 4.170 -0.001 0.000 0.262 208 I C 0.765 176.489 176.117 -0.654 0.000 1.225 208 I CA 0.695 61.764 61.300 -0.385 0.000 1.472 208 I CB -0.343 37.353 38.000 -0.506 0.000 1.094 208 I HN 0.073 8.283 8.210 -0.000 0.000 0.454 209 F N 1.963 121.632 119.950 -0.467 0.000 2.765 209 F HA 0.293 4.820 4.527 -0.000 0.000 0.302 209 F C 0.654 175.988 175.800 -0.777 0.000 1.111 209 F CA 0.213 57.655 58.000 -0.931 0.000 1.359 209 F CB 0.126 38.675 39.000 -0.752 0.000 1.097 209 F HN -0.056 8.244 8.300 -0.000 0.000 0.577 210 K N 0.911 121.079 120.400 -0.387 0.000 2.827 210 K HA 0.324 4.644 4.320 -0.001 0.000 0.186 210 K C -2.915 173.724 176.600 0.065 0.000 1.093 210 K CA -1.741 54.235 56.287 -0.518 0.000 0.993 210 K CB 0.811 32.964 32.500 -0.578 0.000 1.199 210 K HN -0.099 8.151 8.250 -0.000 0.000 0.598 211 P HA 0.125 4.545 4.420 -0.000 0.000 0.269 211 P C -2.382 175.161 177.300 0.404 0.000 1.215 211 P CA -1.104 62.185 63.100 0.314 0.000 0.780 211 P CB -0.141 31.750 31.700 0.319 0.000 0.898 212 P HA 0.008 4.428 4.420 -0.000 0.000 0.269 212 P C -0.696 176.534 177.300 -0.117 0.000 1.215 212 P CA 0.278 63.404 63.100 0.043 0.000 0.780 212 P CB 0.553 32.264 31.700 0.019 0.000 0.898 213 V N 0.363 120.024 119.914 -0.422 0.000 2.789 213 V HA 0.823 4.943 4.120 -0.001 0.000 0.311 213 V C -1.188 174.637 176.094 -0.449 0.000 1.073 213 V CA -0.917 61.054 62.300 -0.549 0.000 0.921 213 V CB 1.730 33.034 31.823 -0.864 0.000 1.009 213 V HN 0.765 8.955 8.190 -0.000 0.000 0.426 214 A N 3.544 126.216 122.820 -0.248 0.000 2.356 214 A HA 0.833 5.153 4.320 -0.001 0.000 0.323 214 A C 0.118 177.646 177.584 -0.093 0.000 1.119 214 A CA -0.605 51.351 52.037 -0.135 0.000 0.790 214 A CB 1.508 20.467 19.000 -0.069 0.000 1.273 214 A HN 1.029 9.179 8.150 -0.000 0.000 0.452 215 T N 2.341 116.867 114.554 -0.046 0.000 2.779 215 T HA 0.460 4.809 4.350 -0.001 0.000 0.296 215 T C 0.667 175.387 174.700 0.034 0.000 0.938 215 T CA 0.490 62.586 62.100 -0.007 0.000 1.119 215 T CB 0.625 69.449 68.868 -0.074 0.000 0.891 215 T HN 1.059 9.299 8.240 -0.000 0.000 0.526 216 A N 3.561 126.435 122.820 0.089 0.000 2.520 216 A HA 0.238 4.558 4.320 -0.001 0.000 0.245 216 A C 1.509 179.220 177.584 0.211 0.000 1.072 216 A CA -0.464 51.638 52.037 0.109 0.000 0.761 216 A CB 0.066 19.115 19.000 0.082 0.000 1.004 216 A HN 0.772 8.922 8.150 -0.000 0.000 0.499 217 V N 2.981 122.983 119.914 0.146 0.000 2.488 217 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 217 V C 2.855 179.071 176.094 0.203 0.000 1.046 217 V CA 2.244 64.656 62.300 0.186 0.000 1.053 217 V CB -1.207 30.669 31.823 0.088 0.000 0.679 217 V HN 1.023 9.213 8.190 -0.000 0.000 0.458 218 A N 1.016 123.900 122.820 0.106 0.000 1.908 218 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 218 A C 0.396 177.989 177.584 0.015 0.000 1.181 218 A CA 2.084 54.152 52.037 0.051 0.000 0.627 218 A CB -1.893 17.117 19.000 0.017 0.000 0.818 218 A HN 0.559 8.709 8.150 -0.000 0.000 0.445 219 P HA -0.053 4.367 4.420 -0.000 0.000 0.234 219 P C 0.082 177.163 177.300 -0.364 0.000 1.167 219 P CA 0.901 63.846 63.100 -0.259 0.000 0.763 219 P CB -0.148 31.284 31.700 -0.447 0.000 0.835 220 Y N -2.664 117.693 120.300 0.095 0.000 2.467 220 Y HA 0.096 4.646 4.550 -0.001 0.000 0.250 220 Y C 2.125 178.161 175.900 0.228 0.000 1.155 220 Y CA -0.106 58.119 58.100 0.209 0.000 1.249 220 Y CB -0.522 38.088 38.460 0.249 0.000 1.146 220 Y HN -0.299 7.981 8.280 -0.000 0.000 0.524 221 V N 0.132 120.174 119.914 0.213 0.000 2.392 221 V HA -0.329 3.791 4.120 -0.001 0.000 0.249 221 V C 2.352 178.493 176.094 0.078 0.000 1.059 221 V CA 2.508 64.878 62.300 0.118 0.000 1.051 221 V CB -0.784 31.075 31.823 0.058 0.000 0.658 221 V HN 0.595 8.785 8.190 -0.000 0.000 0.455 222 S N -1.225 114.532 115.700 0.094 0.000 2.387 222 S HA -0.250 4.220 4.470 -0.001 0.000 0.226 222 S C 1.688 176.346 174.600 0.097 0.000 1.026 222 S CA 1.174 59.411 58.200 0.062 0.000 0.972 222 S CB -0.805 62.423 63.200 0.048 0.000 0.814 222 S HN 0.723 9.033 8.310 -0.000 0.000 0.477 223 W N 2.617 123.923 121.300 0.010 0.000 2.335 223 W HA -0.035 4.624 4.660 -0.002 0.000 0.311 223 W C 1.717 178.199 176.519 -0.062 0.000 1.213 223 W CA 1.334 58.678 57.345 -0.001 0.000 1.274 223 W CB -0.586 28.937 29.460 0.104 0.000 1.148 223 W HN 0.281 8.461 8.180 -0.000 0.000 0.498 224 I N 0.590 121.058 120.570 -0.171 0.000 2.226 224 I HA -0.329 3.841 4.170 -0.001 0.000 0.245 224 I C 2.662 178.478 176.117 -0.501 0.000 1.100 224 I CA 1.656 62.645 61.300 -0.518 0.000 1.374 224 I CB -0.663 37.200 38.000 -0.228 0.000 1.057 224 I HN -0.014 8.196 8.210 -0.000 0.000 0.413 225 R N 0.735 121.068 120.500 -0.279 0.000 2.075 225 R HA -0.129 4.210 4.340 -0.001 0.000 0.232 225 R C 2.327 178.459 176.300 -0.281 0.000 1.126 225 R CA 1.149 57.101 56.100 -0.246 0.000 0.963 225 R CB -0.219 30.006 30.300 -0.125 0.000 0.858 225 R HN 0.300 8.570 8.270 -0.000 0.000 0.435 226 K N 0.197 120.451 120.400 -0.244 0.000 2.032 226 K HA -0.122 4.197 4.320 -0.001 0.000 0.209 226 K C 2.065 178.457 176.600 -0.348 0.000 1.048 226 K CA 1.406 57.560 56.287 -0.222 0.000 0.927 226 K CB -0.099 32.328 32.500 -0.122 0.000 0.712 226 K HN -0.026 8.224 8.250 -0.000 0.000 0.441 227 V N 1.172 120.735 119.914 -0.585 0.000 2.270 227 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 227 V C 2.390 177.982 176.094 -0.837 0.000 1.043 227 V CA 2.334 64.201 62.300 -0.723 0.000 1.014 227 V CB -0.850 30.328 31.823 -1.075 0.000 0.645 227 V HN 0.572 8.762 8.190 -0.000 0.000 0.447 228 T N -1.750 112.169 114.554 -1.059 0.000 3.051 228 T HA 0.068 4.417 4.350 -0.001 0.000 0.269 228 T C 1.556 175.946 174.700 -0.517 0.000 1.127 228 T CA 0.946 62.351 62.100 -1.158 0.000 1.107 228 T CB -0.285 67.906 68.868 -1.129 0.000 0.898 228 T HN 1.111 9.351 8.240 -0.000 0.000 0.517 229 G N 1.937 110.524 108.800 -0.356 0.000 2.198 229 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.260 229 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.260 229 G C 0.034 174.855 174.900 -0.132 0.000 1.025 229 G CA -0.154 44.837 45.100 -0.181 0.000 0.769 229 G HN 0.611 8.901 8.290 -0.000 0.000 0.507 230 R N 0.848 121.248 120.500 -0.168 0.000 2.415 230 R HA 0.416 4.756 4.340 -0.001 0.000 0.292 230 R C 0.901 177.154 176.300 -0.079 0.000 1.295 230 R CA 0.248 56.298 56.100 -0.084 0.000 1.137 230 R CB 0.909 31.184 30.300 -0.041 0.000 1.135 230 R HN 0.615 8.885 8.270 -0.000 0.000 0.560 231 S N 0.000 115.666 115.700 -0.057 0.000 2.498 231 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 231 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 231 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 231 S HN 0.000 8.310 8.310 -0.000 0.000 0.517