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 1n6v_1_A DATA FIRST_RESID 1 DATA SEQUENCE SYDSPDYTDE ScTFKISLRN FRSILSWELK NHSIVPTHYT LLYTIMSKPE DATA SEQUENCE DLKVVKNcAN TTRSFcDLTD EWRSTHEAYV TVLEGFSGNT TLFScSHNFW DATA SEQUENCE LAIDMSFEPP EFEIVGFTNH INVMVKFPSI VEEELQFDLS LVIEEQSEGI DATA SEQUENCE VKKHKPEIKG NMSGNFTYII DKLIPNTNYc VSVYLEHSDE QAVIKSPLKc DATA SEQUENCE TLLPPGQESE FS 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 S HA 0.000 4.405 4.470 -0.108 0.000 0.327 1 S C 0.000 174.335 174.600 -0.441 0.000 1.055 1 S CA 0.000 58.063 58.200 -0.228 0.000 1.107 1 S CB 0.000 63.044 63.200 -0.261 0.000 0.593 2 Y N 3.838 124.139 120.300 0.002 0.000 2.670 2 Y HA 0.016 4.565 4.550 -0.002 0.000 0.334 2 Y C -1.113 174.784 175.900 -0.005 0.000 1.185 2 Y CA -0.656 57.443 58.100 -0.002 0.000 1.053 2 Y CB 1.891 40.349 38.460 -0.004 0.000 1.298 2 Y HN -0.543 7.770 8.280 0.056 0.000 0.459 3 D N -0.084 120.443 120.400 0.211 0.000 4.105 3 D HA -0.298 4.386 4.640 0.072 0.000 0.289 3 D C -1.180 175.152 176.300 0.054 0.000 2.261 3 D CA 0.361 54.416 54.000 0.091 0.000 1.093 3 D CB 0.141 40.975 40.800 0.055 0.000 1.035 3 D HN -0.066 8.479 8.370 0.291 0.000 1.218 4 S N 0.433 116.142 115.700 0.015 0.000 2.608 4 S HA 0.105 4.582 4.470 0.011 0.000 0.261 4 S C -1.764 172.851 174.600 0.025 0.000 1.314 4 S CA -0.676 57.523 58.200 -0.001 0.000 0.992 4 S CB 0.185 63.347 63.200 -0.063 0.000 0.935 4 S HN 0.038 8.348 8.310 -0.001 0.000 0.564 5 P HA -0.092 4.377 4.420 0.081 0.000 0.266 5 P C -1.145 176.240 177.300 0.141 0.000 1.193 5 P CA 0.406 63.572 63.100 0.110 0.000 0.770 5 P CB 0.497 32.301 31.700 0.173 0.000 0.836 6 D N 2.619 123.081 120.400 0.103 0.000 2.357 6 D HA -0.064 4.616 4.640 0.067 0.000 0.265 6 D C -0.067 176.285 176.300 0.086 0.000 1.334 6 D CA 0.944 54.989 54.000 0.074 0.000 0.984 6 D CB -0.780 40.038 40.800 0.030 0.000 1.077 6 D HN 0.172 8.590 8.370 0.081 0.000 0.514 7 Y N 5.653 125.888 120.300 -0.110 0.000 2.619 7 Y HA -0.074 4.369 4.550 -0.179 0.000 0.339 7 Y C 0.984 176.742 175.900 -0.237 0.000 1.224 7 Y CA -0.954 57.050 58.100 -0.159 0.000 1.946 7 Y CB -2.220 36.178 38.460 -0.102 0.000 1.957 7 Y HN -0.068 8.357 8.280 0.242 0.000 0.421 8 T N 7.521 121.867 114.554 -0.347 0.000 3.607 8 T HA -0.005 4.223 4.350 -0.203 0.000 0.225 8 T C -1.617 172.765 174.700 -0.529 0.000 0.904 8 T CA 0.986 62.860 62.100 -0.377 0.000 0.962 8 T CB -1.029 67.657 68.868 -0.303 0.000 1.221 8 T HN 0.168 8.103 8.240 -0.438 0.041 0.641 9 D N -2.568 117.602 120.400 -0.384 0.000 2.556 9 D HA 0.097 4.649 4.640 -0.148 0.000 0.237 9 D C -0.662 175.521 176.300 -0.194 0.000 1.296 9 D CA -0.834 53.018 54.000 -0.247 0.000 0.807 9 D CB 1.497 42.150 40.800 -0.245 0.000 1.084 9 D HN -0.509 7.595 8.370 -0.293 0.091 0.510 10 E N -1.963 118.124 120.200 -0.189 0.000 2.332 10 E HA 0.095 4.242 4.350 -0.339 0.000 0.262 10 E C -1.235 175.259 176.600 -0.176 0.000 1.088 10 E CA 0.024 56.288 56.400 -0.227 0.000 0.650 10 E CB 0.237 29.832 29.700 -0.175 0.000 1.086 10 E HN -0.609 7.647 8.360 -0.174 0.000 0.426 11 S N -1.051 114.539 115.700 -0.185 0.000 2.420 11 S HA -0.248 4.147 4.470 -0.125 0.000 0.237 11 S C 0.482 174.939 174.600 -0.238 0.000 1.023 11 S CA 1.860 59.958 58.200 -0.170 0.000 0.991 11 S CB 0.227 63.332 63.200 -0.157 0.000 0.792 11 S HN 0.010 8.291 8.310 -0.189 -0.084 0.488 12 c N -3.226 115.187 118.600 -0.311 0.000 3.995 12 c HA -0.291 4.006 4.570 -0.455 0.000 0.295 12 c C -1.013 172.542 174.090 -0.893 0.000 1.484 12 c CA 0.471 56.536 56.329 -0.439 0.000 2.047 12 c CB -2.459 39.982 42.510 -0.115 0.000 1.292 12 c HN 0.233 8.235 8.230 -0.307 0.044 0.735 13 T N 2.960 117.062 114.554 -0.754 0.000 2.767 13 T HA 0.146 4.119 4.350 -0.629 0.000 0.288 13 T C -1.437 172.841 174.700 -0.704 0.000 0.963 13 T CA 0.871 62.576 62.100 -0.659 0.000 1.019 13 T CB 0.845 69.531 68.868 -0.304 0.000 0.923 13 T HN -0.575 7.319 8.240 -0.518 0.035 0.468 14 F N 4.324 124.290 119.950 0.026 0.000 2.538 14 F HA 0.170 4.875 4.527 0.176 -0.073 0.325 14 F C -0.939 174.862 175.800 0.001 0.000 1.066 14 F CA -1.643 56.435 58.000 0.129 0.000 0.946 14 F CB 2.883 42.097 39.000 0.357 0.000 1.199 14 F HN 0.239 8.403 8.300 -0.226 0.000 0.473 15 K N 1.023 121.559 120.400 0.227 0.000 2.464 15 K HA 0.360 4.697 4.320 0.028 0.000 0.253 15 K C -2.181 174.519 176.600 0.167 0.000 0.933 15 K CA -1.279 55.069 56.287 0.101 0.000 0.801 15 K CB 4.189 36.710 32.500 0.036 0.000 1.271 15 K HN 0.057 8.379 8.250 0.296 0.106 0.430 16 I N 5.198 125.859 120.570 0.151 0.000 2.474 16 I HA 0.580 4.994 4.170 0.117 -0.173 0.294 16 I C -2.317 173.831 176.117 0.052 0.000 1.005 16 I CA -1.692 59.708 61.300 0.166 0.000 1.113 16 I CB 3.195 41.419 38.000 0.373 0.000 1.289 16 I HN 0.407 8.670 8.210 0.088 0.000 0.436 17 S N 5.179 120.859 115.700 -0.034 0.000 2.526 17 S HA 0.321 4.767 4.470 -0.040 0.000 0.293 17 S C -2.254 172.253 174.600 -0.155 0.000 1.092 17 S CA -1.252 56.902 58.200 -0.076 0.000 0.980 17 S CB 3.165 66.309 63.200 -0.093 0.000 1.048 17 S HN 0.695 8.851 8.310 -0.071 0.112 0.483 18 L N 4.785 125.870 121.223 -0.230 0.000 2.283 18 L HA 0.530 4.950 4.340 -0.327 -0.276 0.281 18 L C -1.746 174.826 176.870 -0.497 0.000 1.033 18 L CA -1.478 53.096 54.840 -0.443 0.000 0.848 18 L CB 1.367 42.982 42.059 -0.741 0.000 1.226 18 L HN 1.035 9.055 8.230 -0.186 0.098 0.429 19 R N 6.424 126.746 120.500 -0.296 0.000 2.215 19 R HA 0.141 4.425 4.340 -0.093 0.000 0.336 19 R C -1.022 175.198 176.300 -0.133 0.000 0.996 19 R CA -0.454 55.549 56.100 -0.162 0.000 0.847 19 R CB 0.660 30.879 30.300 -0.134 0.000 1.127 19 R HN 0.301 8.409 8.270 -0.270 0.000 0.465 20 N N 6.496 125.256 118.700 0.100 0.000 2.738 20 N HA -0.339 4.734 4.740 0.555 0.000 0.249 20 N C -1.363 174.044 175.510 -0.171 0.000 1.047 20 N CA 1.257 54.409 53.050 0.170 0.000 0.707 20 N CB -1.819 36.630 38.487 -0.063 0.000 0.937 20 N HN 0.748 9.270 8.380 0.238 0.000 0.545 21 F N -11.863 108.330 119.950 0.404 0.000 3.090 21 F HA -0.456 4.226 4.527 0.258 0.000 0.282 21 F C -2.362 173.491 175.800 0.087 0.000 0.923 21 F CA 0.905 59.142 58.000 0.396 0.000 0.977 21 F CB -2.228 37.154 39.000 0.636 0.000 0.954 21 F HN -0.103 8.471 8.300 0.458 0.001 0.695 22 R N -1.164 119.166 120.500 -0.284 0.000 2.494 22 R HA 0.220 4.425 4.340 -0.225 0.000 0.305 22 R C -0.929 175.230 176.300 -0.236 0.000 0.959 22 R CA -1.940 53.992 56.100 -0.280 0.000 0.864 22 R CB 2.704 32.807 30.300 -0.327 0.000 1.159 22 R HN -0.932 7.100 8.270 -0.293 0.062 0.446 23 S N 2.343 117.905 115.700 -0.231 0.000 2.537 23 S HA 0.282 4.724 4.470 -0.240 -0.115 0.275 23 S C -1.407 172.980 174.600 -0.356 0.000 1.272 23 S CA -0.358 57.668 58.200 -0.291 0.000 1.050 23 S CB 0.886 63.877 63.200 -0.348 0.000 0.961 23 S HN 0.016 8.200 8.310 -0.210 0.000 0.496 24 I N 3.965 124.336 120.570 -0.332 0.000 2.571 24 I HA 0.157 4.185 4.170 -0.347 -0.066 0.286 24 I C -2.229 173.734 176.117 -0.256 0.000 1.134 24 I CA -0.256 60.868 61.300 -0.294 0.000 1.052 24 I CB 3.245 41.129 38.000 -0.193 0.000 1.237 24 I HN -0.063 7.977 8.210 -0.283 0.000 0.435 25 L N 4.736 125.777 121.223 -0.304 0.000 2.334 25 L HA 0.976 5.488 4.340 0.015 -0.163 0.276 25 L C -1.982 174.868 176.870 -0.033 0.000 1.014 25 L CA -1.902 52.870 54.840 -0.112 0.000 0.815 25 L CB 3.160 45.075 42.059 -0.239 0.000 1.268 25 L HN 0.215 8.210 8.230 -0.391 0.000 0.428 26 S N 0.431 116.178 115.700 0.078 0.000 2.806 26 S HA 0.399 4.675 4.470 -0.324 0.000 0.315 26 S C -1.745 172.995 174.600 0.234 0.000 1.127 26 S CA -1.757 56.406 58.200 -0.061 0.000 0.918 26 S CB 2.309 65.458 63.200 -0.086 0.000 1.240 26 S HN 0.950 9.245 8.310 0.169 0.116 0.552 27 W N -5.052 116.363 121.300 0.191 0.000 3.083 27 W HA 0.525 5.408 4.660 0.182 -0.113 0.333 27 W C -2.352 174.114 176.519 -0.088 0.000 1.217 27 W CA -1.134 56.293 57.345 0.135 0.000 1.170 27 W CB 1.870 31.485 29.460 0.258 0.000 1.437 27 W HN -0.078 7.752 8.180 -0.584 0.000 0.557 28 E N 0.747 120.995 120.200 0.081 0.000 3.108 28 E HA 0.300 4.693 4.350 0.072 0.000 0.228 28 E C -1.344 175.179 176.600 -0.129 0.000 1.176 28 E CA -1.818 54.571 56.400 -0.019 0.000 0.881 28 E CB 1.336 30.980 29.700 -0.095 0.000 1.354 28 E HN 0.253 8.439 8.360 -0.156 0.080 0.400 29 L N -0.024 121.139 121.223 -0.100 0.000 2.272 29 L HA 0.289 4.429 4.340 -0.333 0.000 0.284 29 L C 0.065 176.834 176.870 -0.170 0.000 1.045 29 L CA -2.306 52.361 54.840 -0.287 0.000 0.842 29 L CB -1.475 40.221 42.059 -0.605 0.000 1.224 29 L HN -0.204 8.060 8.230 0.056 0.000 0.430 30 K N 2.712 123.020 120.400 -0.154 0.000 2.397 30 K HA -0.194 4.104 4.320 -0.036 0.000 0.265 30 K C -0.591 175.969 176.600 -0.067 0.000 0.982 30 K CA 0.411 56.648 56.287 -0.083 0.000 0.931 30 K CB 0.979 33.423 32.500 -0.094 0.000 0.943 30 K HN 0.079 8.308 8.250 -0.183 -0.090 0.501 31 N N 0.037 118.740 118.700 0.005 0.000 2.392 31 N HA 0.066 4.816 4.740 0.017 0.000 0.283 31 N C -1.022 174.557 175.510 0.115 0.000 1.003 31 N CA -0.116 52.959 53.050 0.042 0.000 0.892 31 N CB 1.484 40.007 38.487 0.060 0.000 1.193 31 N HN 0.169 8.562 8.380 0.020 0.000 0.487 32 H N 4.331 123.371 119.070 -0.051 0.000 2.269 32 H HA 0.053 4.582 4.556 -0.046 0.000 0.216 32 H C 0.013 175.316 175.328 -0.042 0.000 0.985 32 H CA 0.808 56.823 56.048 -0.055 0.000 1.274 32 H CB 1.389 31.097 29.762 -0.090 0.000 1.283 32 H HN 0.509 8.855 8.280 0.109 0.000 0.491 33 S N -0.064 115.653 115.700 0.028 0.000 2.559 33 S HA 0.065 4.485 4.470 -0.084 0.000 0.212 33 S C 0.135 174.734 174.600 -0.002 0.000 0.994 33 S CA 0.525 58.706 58.200 -0.032 0.000 0.903 33 S CB 0.914 64.099 63.200 -0.025 0.000 0.861 33 S HN 0.040 8.408 8.310 0.098 0.000 0.601 34 I N 2.558 123.140 120.570 0.020 0.000 2.720 34 I HA -0.001 4.183 4.170 0.023 0.000 0.287 34 I C -1.403 174.740 176.117 0.043 0.000 1.090 34 I CA 0.003 61.322 61.300 0.032 0.000 1.384 34 I CB 0.746 38.776 38.000 0.049 0.000 1.420 34 I HN -0.409 7.816 8.210 0.025 0.000 0.575 35 V N 3.854 123.795 119.914 0.044 0.000 2.257 35 V HA 0.391 4.800 4.120 0.064 -0.251 0.269 35 V C -2.043 174.089 176.094 0.063 0.000 1.040 35 V CA -3.347 58.985 62.300 0.054 0.000 0.813 35 V CB 0.469 32.315 31.823 0.038 0.000 1.065 35 V HN 0.084 8.296 8.190 0.036 0.000 0.457 36 P HA 0.171 4.640 4.420 0.082 0.000 0.276 36 P C -0.813 176.471 177.300 -0.027 0.000 1.235 36 P CA -0.471 62.678 63.100 0.082 0.000 0.772 36 P CB 1.165 32.995 31.700 0.217 0.000 0.871 37 T N 2.662 117.159 114.554 -0.095 0.000 3.087 37 T HA -0.006 4.321 4.350 -0.038 0.000 0.237 37 T C -0.812 173.727 174.700 -0.269 0.000 0.990 37 T CA 1.059 63.090 62.100 -0.115 0.000 1.160 37 T CB 0.678 69.513 68.868 -0.055 0.000 0.923 37 T HN 0.410 8.630 8.240 -0.033 0.000 0.442 38 H N 0.537 119.388 119.070 -0.365 0.000 2.481 38 H HA 0.548 5.256 4.556 -0.166 -0.251 0.339 38 H C -1.618 173.430 175.328 -0.467 0.000 1.131 38 H CA -3.082 52.797 56.048 -0.281 0.000 1.301 38 H CB -0.067 29.649 29.762 -0.077 0.000 1.476 38 H HN -0.244 8.106 8.280 0.117 0.000 0.529 39 Y N -1.393 118.931 120.300 0.039 0.000 2.665 39 Y HA 0.071 4.409 4.550 -0.354 0.000 0.336 39 Y C -0.579 175.229 175.900 -0.153 0.000 1.085 39 Y CA -1.063 56.892 58.100 -0.242 0.000 1.096 39 Y CB 4.104 42.201 38.460 -0.605 0.000 1.301 39 Y HN 0.672 9.007 8.280 0.165 0.044 0.493 40 T N 2.748 117.260 114.554 -0.071 0.000 2.985 40 T HA 0.340 4.926 4.350 0.132 -0.157 0.315 40 T C -1.906 172.799 174.700 0.008 0.000 1.001 40 T CA -0.185 61.943 62.100 0.047 0.000 1.016 40 T CB 1.312 70.278 68.868 0.164 0.000 0.993 40 T HN 0.221 8.290 8.240 -0.285 0.000 0.454 41 L N 8.044 129.377 121.223 0.184 0.000 2.407 41 L HA 0.093 4.561 4.340 0.214 0.000 0.282 41 L C -2.710 174.280 176.870 0.200 0.000 1.110 41 L CA -0.643 54.356 54.840 0.264 0.000 0.863 41 L CB -0.608 41.711 42.059 0.434 0.000 1.207 41 L HN 0.677 8.948 8.230 0.268 0.120 0.454 42 L N 5.050 126.347 121.223 0.123 0.000 2.317 42 L HA 0.671 5.314 4.340 0.097 -0.244 0.281 42 L C -0.616 176.353 176.870 0.164 0.000 1.024 42 L CA -1.658 53.236 54.840 0.090 0.000 0.810 42 L CB 1.147 43.204 42.059 -0.004 0.000 1.240 42 L HN -0.265 8.006 8.230 0.067 0.000 0.427 43 Y N -0.796 119.565 120.300 0.100 0.000 2.588 43 Y HA 0.653 5.333 4.550 0.061 -0.093 0.343 43 Y C -2.276 173.628 175.900 0.007 0.000 1.065 43 Y CA -2.056 56.119 58.100 0.125 0.000 1.038 43 Y CB 3.574 42.302 38.460 0.447 0.000 1.297 43 Y HN 0.392 8.601 8.280 -0.120 0.000 0.467 44 T N -0.257 114.308 114.554 0.019 0.000 2.648 44 T HA 0.374 4.581 4.350 -0.238 0.000 0.304 44 T C -2.249 172.155 174.700 -0.494 0.000 1.312 44 T CA -1.684 60.280 62.100 -0.227 0.000 1.023 44 T CB 2.296 71.026 68.868 -0.231 0.000 1.612 44 T HN 0.824 8.992 8.240 0.057 0.106 0.487 45 I N -3.165 117.092 120.570 -0.522 0.000 2.406 45 I HA 0.491 4.311 4.170 -0.793 -0.125 0.290 45 I C 1.317 177.204 176.117 -0.384 0.000 0.999 45 I CA -1.989 58.941 61.300 -0.617 0.000 1.124 45 I CB 1.748 39.369 38.000 -0.631 0.000 1.289 45 I HN -0.170 7.810 8.210 -0.384 0.000 0.441 46 M N 6.684 126.059 119.600 -0.376 0.000 2.128 46 M HA -0.535 3.797 4.480 -0.247 0.000 0.253 46 M C 1.003 177.172 176.300 -0.219 0.000 1.079 46 M CA 3.966 59.094 55.300 -0.287 0.000 1.082 46 M CB -0.629 31.764 32.600 -0.345 0.000 1.335 46 M HN 0.637 8.658 8.290 -0.448 0.000 0.401 47 S N -0.667 114.905 115.700 -0.214 0.000 2.399 47 S HA -0.146 4.248 4.470 -0.126 0.000 0.231 47 S C 0.165 174.684 174.600 -0.136 0.000 1.022 47 S CA 1.565 59.675 58.200 -0.150 0.000 0.983 47 S CB 0.260 63.383 63.200 -0.128 0.000 0.803 47 S HN -0.100 8.049 8.310 -0.253 0.009 0.480 48 K N -0.480 119.820 120.400 -0.166 0.000 2.753 48 K HA 0.429 4.680 4.320 -0.115 0.000 0.185 48 K C -1.928 174.576 176.600 -0.160 0.000 1.071 48 K CA -2.918 53.283 56.287 -0.143 0.000 0.999 48 K CB 0.836 33.255 32.500 -0.136 0.000 1.244 48 K HN 0.014 7.982 8.250 -0.211 0.155 0.594 49 P HA -0.066 4.259 4.420 -0.159 0.000 0.237 49 P C -0.156 177.077 177.300 -0.113 0.000 1.178 49 P CA 1.217 64.237 63.100 -0.134 0.000 0.766 49 P CB 0.174 31.809 31.700 -0.109 0.000 0.876 50 E N -3.214 116.925 120.200 -0.103 0.000 2.489 50 E HA -0.003 4.300 4.350 -0.079 0.000 0.193 50 E C -0.566 175.975 176.600 -0.099 0.000 1.057 50 E CA 0.411 56.758 56.400 -0.087 0.000 0.866 50 E CB -0.201 29.457 29.700 -0.070 0.000 0.916 50 E HN 0.014 8.230 8.360 -0.105 0.081 0.500 51 D N 0.237 120.562 120.400 -0.126 0.000 3.088 51 D HA 0.189 4.758 4.640 -0.119 0.000 0.310 51 D C -1.878 174.301 176.300 -0.202 0.000 1.351 51 D CA -0.793 53.122 54.000 -0.142 0.000 0.921 51 D CB -0.190 40.529 40.800 -0.134 0.000 1.045 51 D HN -0.525 7.692 8.370 -0.139 0.069 0.504 52 L N -0.443 120.666 121.223 -0.190 0.000 2.375 52 L HA 0.235 4.542 4.340 -0.330 -0.165 0.271 52 L C -0.070 176.635 176.870 -0.276 0.000 1.107 52 L CA -0.235 54.458 54.840 -0.245 0.000 0.806 52 L CB 1.384 43.350 42.059 -0.155 0.000 1.146 52 L HN -0.616 7.469 8.230 -0.145 0.058 0.447 53 K N 3.591 123.731 120.400 -0.432 0.000 2.443 53 K HA 0.297 4.503 4.320 -0.190 0.000 0.252 53 K C -1.675 174.827 176.600 -0.162 0.000 0.933 53 K CA -1.177 54.918 56.287 -0.320 0.000 0.792 53 K CB 3.327 35.579 32.500 -0.414 0.000 1.185 53 K HN 0.455 8.294 8.250 -0.621 0.039 0.425 54 V N 4.767 124.654 119.914 -0.045 0.000 2.326 54 V HA 0.125 4.442 4.120 0.065 -0.158 0.249 54 V C -0.471 175.675 176.094 0.085 0.000 1.114 54 V CA -1.042 61.281 62.300 0.039 0.000 1.028 54 V CB -0.871 30.973 31.823 0.036 0.000 1.170 54 V HN 0.377 8.536 8.190 -0.052 0.000 0.494 55 V N 8.379 128.395 119.914 0.171 0.000 2.720 55 V HA -0.209 4.036 4.120 0.209 0.000 0.307 55 V C 0.092 176.267 176.094 0.135 0.000 1.071 55 V CA 1.533 63.956 62.300 0.205 0.000 1.199 55 V CB 0.074 32.063 31.823 0.276 0.000 0.900 55 V HN -0.156 8.165 8.190 0.219 0.000 0.494 56 K N 6.172 126.637 120.400 0.108 0.000 2.448 56 K HA -0.227 4.135 4.320 0.071 0.000 0.278 56 K C 0.192 176.838 176.600 0.077 0.000 1.009 56 K CA 1.987 58.321 56.287 0.079 0.000 0.995 56 K CB 0.125 32.663 32.500 0.063 0.000 0.917 56 K HN 0.409 8.729 8.250 0.117 0.000 0.481 57 N N -0.892 117.851 118.700 0.072 0.000 2.972 57 N HA -0.174 4.605 4.740 0.064 0.000 0.225 57 N C -0.363 175.205 175.510 0.098 0.000 0.883 57 N CA 1.549 54.641 53.050 0.070 0.000 1.010 57 N CB -0.917 37.601 38.487 0.051 0.000 1.052 57 N HN 0.370 8.790 8.380 0.067 0.000 0.598 58 c N -1.959 116.718 118.600 0.128 0.000 3.183 58 c HA 0.140 4.840 4.570 0.216 0.000 0.285 58 c C -0.930 173.293 174.090 0.222 0.000 1.313 58 c CA -1.082 55.367 56.329 0.199 0.000 1.711 58 c CB -0.219 42.413 42.510 0.203 0.000 2.135 58 c HN -0.279 7.816 8.230 0.118 0.206 0.651 59 A N 0.497 123.407 122.820 0.149 0.000 2.279 59 A HA 0.046 4.442 4.320 0.126 0.000 0.303 59 A C -1.667 175.977 177.584 0.099 0.000 1.108 59 A CA -1.019 51.086 52.037 0.113 0.000 0.830 59 A CB 1.324 20.365 19.000 0.068 0.000 1.106 59 A HN -0.483 7.686 8.150 0.124 0.055 0.493 60 N N -2.135 116.586 118.700 0.034 0.000 2.913 60 N HA -0.490 4.121 4.740 -0.241 -0.015 0.301 60 N C -1.333 174.274 175.510 0.162 0.000 1.061 60 N CA 1.110 54.164 53.050 0.007 0.000 0.827 60 N CB -1.494 37.046 38.487 0.087 0.000 0.971 60 N HN 0.411 8.809 8.380 0.030 0.000 0.606 61 T N 0.813 115.487 114.554 0.200 0.000 2.824 61 T HA 0.156 4.605 4.350 0.165 0.000 0.282 61 T C -0.149 174.703 174.700 0.253 0.000 0.993 61 T CA -1.707 60.525 62.100 0.219 0.000 0.967 61 T CB 2.579 71.594 68.868 0.246 0.000 0.960 61 T HN -0.049 8.288 8.240 0.194 0.020 0.441 62 T N 6.452 121.109 114.554 0.173 0.000 3.783 62 T HA 0.230 4.848 4.350 0.154 -0.176 0.262 62 T C -0.496 174.297 174.700 0.155 0.000 1.381 62 T CA -1.224 60.965 62.100 0.147 0.000 1.155 62 T CB -1.740 67.172 68.868 0.073 0.000 1.256 62 T HN 0.402 8.721 8.240 0.132 0.000 0.807 63 R N 2.624 123.277 120.500 0.254 0.000 2.810 63 R HA 0.180 4.521 4.340 0.003 0.000 0.266 63 R C -1.527 174.929 176.300 0.260 0.000 1.061 63 R CA -1.056 55.096 56.100 0.086 0.000 0.943 63 R CB 3.252 33.489 30.300 -0.105 0.000 1.237 63 R HN -0.355 8.059 8.270 0.407 0.100 0.459 64 S N -0.315 115.201 115.700 -0.305 0.000 3.142 64 S HA 0.044 4.455 4.470 -0.097 0.000 0.223 64 S C -0.605 173.032 174.600 -1.605 0.000 0.939 64 S CA 0.206 57.980 58.200 -0.710 0.000 0.826 64 S CB 1.472 64.430 63.200 -0.403 0.000 0.823 64 S HN -0.012 7.881 8.310 -0.695 0.000 0.612 65 F N 0.023 119.523 119.950 -0.751 0.000 2.519 65 F HA -0.008 4.071 4.527 -0.746 0.000 0.375 65 F C -0.758 174.782 175.800 -0.433 0.000 1.084 65 F CA -1.025 56.615 58.000 -0.600 0.000 1.147 65 F CB -0.755 38.045 39.000 -0.334 0.000 1.088 65 F HN -0.639 7.036 8.300 -1.041 0.000 0.555 66 c N 7.759 126.172 118.600 -0.311 0.000 2.370 66 c HA 0.221 4.720 4.570 -0.118 0.000 0.354 66 c C -1.429 172.586 174.090 -0.125 0.000 1.218 66 c CA -1.621 54.619 56.329 -0.148 0.000 2.154 66 c CB 2.234 44.720 42.510 -0.040 0.000 2.391 66 c HN 0.402 8.381 8.230 -0.418 0.000 0.540 67 D N 3.454 123.790 120.400 -0.108 0.000 2.385 67 D HA 0.079 4.596 4.640 -0.205 0.000 0.254 67 D C -0.872 175.271 176.300 -0.261 0.000 1.053 67 D CA -1.648 52.250 54.000 -0.169 0.000 0.992 67 D CB 1.849 42.588 40.800 -0.102 0.000 1.145 67 D HN 0.229 8.558 8.370 -0.067 0.000 0.523 68 L N -7.736 113.290 121.223 -0.329 0.000 2.722 68 L HA 0.587 4.763 4.340 -0.273 0.000 0.244 68 L C -1.137 175.543 176.870 -0.317 0.000 1.023 68 L CA 0.026 54.629 54.840 -0.395 0.000 0.988 68 L CB 0.471 42.052 42.059 -0.796 0.000 1.245 68 L HN 0.339 8.322 8.230 -0.297 0.069 0.508 69 T N 1.821 116.260 114.554 -0.193 0.000 2.901 69 T HA -0.101 4.237 4.350 -0.177 -0.094 0.252 69 T C 0.444 175.098 174.700 -0.077 0.000 1.035 69 T CA 2.690 64.703 62.100 -0.145 0.000 1.142 69 T CB 0.168 68.962 68.868 -0.124 0.000 0.869 69 T HN 0.183 8.331 8.240 -0.155 0.000 0.442 70 D N -1.364 119.009 120.400 -0.044 0.000 2.402 70 D HA 0.038 4.693 4.640 0.025 0.000 0.216 70 D C 0.602 176.919 176.300 0.028 0.000 1.128 70 D CA 0.226 54.233 54.000 0.012 0.000 0.833 70 D CB 0.333 41.156 40.800 0.038 0.000 0.971 70 D HN -0.093 8.245 8.370 -0.053 0.000 0.503 71 E N -1.335 118.847 120.200 -0.031 0.000 2.340 71 E HA 0.007 4.433 4.350 0.126 0.000 0.194 71 E C -0.172 176.442 176.600 0.024 0.000 0.996 71 E CA 0.992 57.395 56.400 0.005 0.000 0.869 71 E CB 0.490 30.115 29.700 -0.126 0.000 0.835 71 E HN 0.259 8.486 8.360 -0.106 0.069 0.493 72 W N -1.247 119.712 121.300 -0.569 0.000 1.639 72 W HA 0.299 4.022 4.660 -1.562 0.000 0.307 72 W C -0.575 175.757 176.519 -0.310 0.000 0.809 72 W CA -2.232 54.477 57.345 -1.059 0.000 2.583 72 W CB -1.036 27.552 29.460 -1.453 0.000 2.213 72 W HN -0.353 7.771 8.180 -0.093 0.000 0.549 73 R N -1.693 118.891 120.500 0.140 0.000 2.328 73 R HA -0.222 4.155 4.340 0.062 0.000 0.207 73 R C 0.718 177.134 176.300 0.193 0.000 1.056 73 R CA 1.411 57.589 56.100 0.130 0.000 1.016 73 R CB -0.094 30.276 30.300 0.117 0.000 0.872 73 R HN -0.115 8.200 8.270 0.173 0.059 0.471 74 S N 1.250 117.171 115.700 0.368 0.000 3.864 74 S HA 0.116 4.706 4.470 0.200 0.000 0.202 74 S C 0.035 174.808 174.600 0.289 0.000 1.402 74 S CA -0.430 57.943 58.200 0.288 0.000 1.072 74 S CB -1.255 62.011 63.200 0.109 0.000 1.383 74 S HN -0.390 8.198 8.310 0.591 0.076 0.458 75 T N -1.708 112.970 114.554 0.206 0.000 2.897 75 T HA -0.372 4.098 4.350 0.201 0.000 0.271 75 T C 0.261 175.060 174.700 0.164 0.000 1.084 75 T CA 3.127 65.319 62.100 0.154 0.000 1.123 75 T CB 0.275 69.141 68.868 -0.003 0.000 0.865 75 T HN 0.015 8.263 8.240 0.161 0.088 0.496 76 H N -1.591 117.610 119.070 0.218 0.000 2.610 76 H HA 0.135 4.858 4.556 0.277 0.000 0.302 76 H C -1.002 174.463 175.328 0.228 0.000 1.063 76 H CA 0.056 56.243 56.048 0.233 0.000 1.159 76 H CB -0.413 29.451 29.762 0.170 0.000 1.427 76 H HN 0.084 8.513 8.280 0.318 0.042 0.553 77 E N -2.033 118.333 120.200 0.277 0.000 2.446 77 E HA 0.273 4.622 4.350 -0.002 0.000 0.276 77 E C -1.611 174.923 176.600 -0.110 0.000 0.969 77 E CA -2.015 54.399 56.400 0.023 0.000 0.800 77 E CB 4.666 34.281 29.700 -0.141 0.000 1.341 77 E HN -0.310 8.049 8.360 0.291 0.175 0.460 78 A N 0.639 123.145 122.820 -0.522 0.000 2.621 78 A HA 0.367 4.676 4.320 -0.318 -0.179 0.329 78 A C -0.589 176.739 177.584 -0.427 0.000 1.458 78 A CA -1.041 50.639 52.037 -0.595 0.000 1.052 78 A CB 0.166 18.491 19.000 -1.125 0.000 1.142 78 A HN 0.431 8.252 8.150 -0.548 0.000 0.523 79 Y N 5.467 125.474 120.300 -0.488 0.000 2.691 79 Y HA -0.191 4.024 4.550 -0.791 -0.139 0.359 79 Y C 0.153 175.667 175.900 -0.643 0.000 1.292 79 Y CA 0.573 58.105 58.100 -0.947 0.000 1.822 79 Y CB -1.009 35.973 38.460 -2.463 0.000 1.481 79 Y HN -0.162 8.095 8.280 -0.039 0.000 0.461 80 V N 3.634 123.335 119.914 -0.355 0.000 2.529 80 V HA 0.072 4.388 4.120 -0.026 -0.213 0.292 80 V C -0.267 175.780 176.094 -0.078 0.000 1.028 80 V CA -0.228 61.984 62.300 -0.148 0.000 1.074 80 V CB -0.499 31.225 31.823 -0.165 0.000 0.958 80 V HN -0.088 7.819 8.190 -0.457 0.009 0.481 81 T N 7.912 122.501 114.554 0.057 0.000 2.841 81 T HA 0.316 4.793 4.350 0.105 -0.065 0.283 81 T C -1.550 173.150 174.700 -0.001 0.000 1.000 81 T CA -1.291 60.850 62.100 0.068 0.000 0.977 81 T CB 2.329 71.211 68.868 0.024 0.000 0.979 81 T HN 0.866 9.116 8.240 0.197 0.108 0.446 82 V N 5.570 125.472 119.914 -0.020 0.000 2.284 82 V HA 0.396 4.577 4.120 -0.084 -0.111 0.274 82 V C -1.280 174.765 176.094 -0.083 0.000 1.023 82 V CA -0.768 61.495 62.300 -0.063 0.000 0.808 82 V CB 1.091 32.888 31.823 -0.044 0.000 1.035 82 V HN 0.979 9.057 8.190 0.024 0.126 0.445 83 L N 9.179 130.321 121.223 -0.136 0.000 2.268 83 L HA 0.458 4.891 4.340 -0.088 -0.145 0.289 83 L C -1.593 175.131 176.870 -0.245 0.000 1.064 83 L CA -0.891 53.884 54.840 -0.108 0.000 0.824 83 L CB 1.044 43.130 42.059 0.045 0.000 1.202 83 L HN 0.786 8.866 8.230 -0.250 0.000 0.433 84 E N 8.261 128.218 120.200 -0.405 0.000 2.081 84 E HA 0.300 4.284 4.350 -0.799 -0.113 0.281 84 E C -0.981 174.872 176.600 -1.244 0.000 0.986 84 E CA -1.006 54.928 56.400 -0.777 0.000 0.796 84 E CB 2.003 31.344 29.700 -0.598 0.000 1.085 84 E HN 0.037 8.229 8.360 -0.281 0.000 0.398 85 G N 3.021 110.623 108.800 -1.998 0.000 2.422 85 G HA2 0.435 3.875 3.960 -0.868 0.000 0.317 85 G HA3 0.435 3.497 3.960 -1.497 0.000 0.317 85 G C -2.205 171.931 174.900 -1.274 0.000 1.210 85 G CA -1.056 43.083 45.100 -1.602 0.000 0.930 85 G HN -0.321 6.361 8.290 -2.680 0.000 0.468 86 F N 2.559 122.264 119.950 -0.408 0.000 2.408 86 F HA 0.248 4.865 4.527 -0.074 -0.134 0.344 86 F C -0.831 175.047 175.800 0.130 0.000 1.112 86 F CA -1.807 56.121 58.000 -0.121 0.000 1.096 86 F CB 1.191 40.114 39.000 -0.128 0.000 1.129 86 F HN 0.132 8.201 8.300 -0.384 0.000 0.486 87 S N 2.624 118.506 115.700 0.302 0.000 2.498 87 S HA -0.120 4.477 4.470 0.211 0.000 0.314 87 S C 0.652 175.356 174.600 0.172 0.000 1.141 87 S CA 0.706 59.042 58.200 0.226 0.000 1.087 87 S CB -0.638 62.665 63.200 0.172 0.000 1.178 87 S HN 0.186 8.653 8.310 0.262 0.000 0.533 88 G N 9.686 118.540 108.800 0.090 0.000 4.026 88 G HA2 -0.377 3.414 3.960 -0.281 0.000 0.309 88 G HA3 -0.377 3.549 3.960 -0.057 0.000 0.309 88 G C -0.387 174.417 174.900 -0.161 0.000 1.411 88 G CA 1.410 46.436 45.100 -0.124 0.000 1.037 88 G HN 0.203 8.571 8.290 0.129 0.000 0.687 89 N N 3.307 122.011 118.700 0.006 0.000 2.166 89 N HA 0.167 4.917 4.740 0.018 0.000 0.213 89 N C -0.748 174.819 175.510 0.096 0.000 1.222 89 N CA 0.117 53.182 53.050 0.026 0.000 0.900 89 N CB 2.927 41.400 38.487 -0.024 0.000 1.055 89 N HN 0.052 8.450 8.380 0.029 0.000 0.515 90 T N 2.815 117.463 114.554 0.158 0.000 2.918 90 T HA 0.223 4.657 4.350 0.140 0.000 0.286 90 T C -1.803 173.075 174.700 0.297 0.000 1.026 90 T CA -0.599 61.606 62.100 0.175 0.000 1.031 90 T CB 2.410 71.349 68.868 0.118 0.000 1.046 90 T HN -0.634 7.700 8.240 0.156 0.000 0.479 91 T N 4.266 119.006 114.554 0.309 0.000 2.814 91 T HA -0.056 4.429 4.350 0.226 0.000 0.297 91 T C -0.858 173.901 174.700 0.100 0.000 0.956 91 T CA 1.784 64.029 62.100 0.242 0.000 1.123 91 T CB 0.302 69.298 68.868 0.213 0.000 0.902 91 T HN 0.245 8.628 8.240 0.238 0.000 0.528 92 L N 7.044 128.308 121.223 0.068 0.000 2.672 92 L HA 0.396 4.834 4.340 0.164 0.000 0.236 92 L C -1.715 175.360 176.870 0.342 0.000 1.092 92 L CA 0.333 55.309 54.840 0.226 0.000 0.887 92 L CB 1.924 44.191 42.059 0.345 0.000 1.168 92 L HN 0.125 8.311 8.230 -0.074 0.000 0.502 93 F N -6.507 113.364 119.950 -0.131 0.000 2.807 93 F HA 0.265 4.754 4.527 -0.063 0.000 0.316 93 F C -2.607 173.081 175.800 -0.187 0.000 1.162 93 F CA -1.432 56.502 58.000 -0.111 0.000 0.910 93 F CB 0.798 39.760 39.000 -0.063 0.000 1.314 93 F HN -0.589 7.517 8.300 -0.323 0.000 0.454 94 S N -0.366 115.308 115.700 -0.043 0.000 2.357 94 S HA 0.233 4.648 4.470 -0.301 -0.125 0.209 94 S C -1.387 173.258 174.600 0.075 0.000 0.981 94 S CA 0.191 58.316 58.200 -0.125 0.000 1.106 94 S CB 0.542 63.664 63.200 -0.130 0.000 1.266 94 S HN 0.067 8.483 8.310 0.176 0.000 0.410 95 c N 4.621 123.338 118.600 0.194 0.000 2.529 95 c HA 0.491 5.196 4.570 0.225 0.000 0.329 95 c C -1.607 172.590 174.090 0.179 0.000 1.194 95 c CA -0.856 55.657 56.329 0.308 0.000 1.779 95 c CB 3.252 46.121 42.510 0.599 0.000 2.322 95 c HN 0.284 8.630 8.230 0.194 0.000 0.500 96 S N 0.651 116.453 115.700 0.169 0.000 2.671 96 S HA 0.898 5.477 4.470 -0.079 -0.156 0.299 96 S C -1.295 173.446 174.600 0.235 0.000 1.116 96 S CA -1.499 56.744 58.200 0.073 0.000 0.912 96 S CB 3.194 66.428 63.200 0.058 0.000 1.130 96 S HN 0.204 8.648 8.310 0.224 0.000 0.501 97 H N 0.342 119.474 119.070 0.105 0.000 3.140 97 H HA 0.231 4.880 4.556 0.156 0.000 0.336 97 H C -1.995 173.498 175.328 0.275 0.000 1.142 97 H CA 0.415 56.582 56.048 0.198 0.000 1.308 97 H CB 3.913 33.828 29.762 0.254 0.000 1.970 97 H HN 0.669 9.062 8.280 0.187 0.000 0.521 98 N N 5.145 123.637 118.700 -0.347 0.000 2.448 98 N HA -0.065 4.590 4.740 -0.143 0.000 0.250 98 N C -1.573 173.708 175.510 -0.381 0.000 1.136 98 N CA -0.779 52.087 53.050 -0.306 0.000 0.953 98 N CB -1.134 37.172 38.487 -0.301 0.000 1.251 98 N HN 0.139 8.338 8.380 -0.301 0.000 0.502 99 F N 1.711 121.486 119.950 -0.292 0.000 2.494 99 F HA -0.105 4.434 4.527 0.019 0.000 0.369 99 F C -0.318 175.522 175.800 0.066 0.000 1.098 99 F CA 0.006 58.015 58.000 0.014 0.000 1.154 99 F CB -0.193 39.046 39.000 0.399 0.000 1.103 99 F HN -0.517 7.957 8.300 0.441 0.091 0.549 100 W N 5.965 127.343 121.300 0.130 0.000 2.085 100 W HA 0.081 4.785 4.660 0.073 0.000 0.392 100 W C -0.624 175.976 176.519 0.135 0.000 0.862 100 W CA -1.240 56.159 57.345 0.090 0.000 1.542 100 W CB -0.273 29.205 29.460 0.030 0.000 1.672 100 W HN 0.611 8.985 8.180 0.324 0.000 0.309 101 L N 5.418 127.021 121.223 0.633 0.000 1.973 101 L HA -0.404 4.181 4.340 0.409 0.000 0.208 101 L C 1.854 178.890 176.870 0.277 0.000 1.073 101 L CA 3.741 58.850 54.840 0.448 0.000 0.746 101 L CB -0.535 41.786 42.059 0.438 0.000 0.891 101 L HN -0.241 8.361 8.230 0.620 0.000 0.433 102 A N -2.217 120.746 122.820 0.238 0.000 2.023 102 A HA -0.310 3.899 4.320 -0.172 0.008 0.223 102 A C 0.236 177.369 177.584 -0.751 0.000 1.180 102 A CA 2.749 54.640 52.037 -0.244 0.000 0.659 102 A CB -0.223 18.686 19.000 -0.151 0.000 0.817 102 A HN -0.137 8.280 8.150 0.444 0.000 0.466 103 I N -7.220 113.000 120.570 -0.583 0.000 3.708 103 I HA -0.089 3.696 4.170 -0.643 0.000 0.302 103 I C -0.703 175.294 176.117 -0.200 0.000 1.255 103 I CA 0.502 61.429 61.300 -0.622 0.000 1.362 103 I CB 0.515 37.831 38.000 -1.141 0.000 1.100 103 I HN -0.492 7.421 8.210 -0.291 0.122 0.434 104 D N -2.387 118.019 120.400 0.010 0.000 2.566 104 D HA 0.021 4.698 4.640 0.061 0.000 0.253 104 D C 0.097 176.495 176.300 0.164 0.000 0.992 104 D CA 0.362 54.426 54.000 0.108 0.000 0.940 104 D CB 2.198 43.111 40.800 0.188 0.000 1.095 104 D HN -0.152 8.044 8.370 0.084 0.224 0.480 105 M N -0.247 119.495 119.600 0.238 0.000 3.854 105 M HA -0.446 4.231 4.480 0.328 0.000 0.158 105 M C -2.000 174.465 176.300 0.276 0.000 1.505 105 M CA 0.605 56.097 55.300 0.320 0.000 1.039 105 M CB -0.699 32.165 32.600 0.440 0.000 1.333 105 M HN -0.260 8.070 8.290 0.256 0.113 0.360 106 S N 4.534 120.344 115.700 0.183 0.000 2.416 106 S HA 0.036 4.609 4.470 0.172 0.000 0.287 106 S C -1.538 173.114 174.600 0.088 0.000 1.139 106 S CA -0.044 58.238 58.200 0.137 0.000 1.058 106 S CB 0.509 63.756 63.200 0.079 0.000 0.967 106 S HN -0.131 8.277 8.310 0.163 0.000 0.495 107 F N 5.633 125.665 119.950 0.137 0.000 2.458 107 F HA 0.399 5.216 4.527 0.161 -0.194 0.336 107 F C -0.840 175.013 175.800 0.088 0.000 1.114 107 F CA -0.040 58.049 58.000 0.148 0.000 0.987 107 F CB 3.582 42.706 39.000 0.206 0.000 1.130 107 F HN 0.302 8.815 8.300 0.355 0.000 0.458 108 E N 3.837 124.189 120.200 0.253 0.000 3.091 108 E HA 0.310 4.753 4.350 0.156 0.000 0.264 108 E C -1.654 175.027 176.600 0.135 0.000 1.170 108 E CA 0.781 57.275 56.400 0.157 0.000 1.898 108 E CB 0.426 30.178 29.700 0.088 0.000 2.460 108 E HN -0.401 8.082 8.360 0.205 0.000 1.009 109 P HA -0.173 4.262 4.420 0.024 0.000 0.222 109 P C -1.879 175.472 177.300 0.084 0.000 1.157 109 P CA 1.646 64.776 63.100 0.050 0.000 0.905 109 P CB -1.506 30.195 31.700 0.002 0.000 0.792 110 P HA -0.229 4.395 4.420 0.112 -0.137 0.270 110 P C -0.792 176.547 177.300 0.064 0.000 1.181 110 P CA 0.473 63.628 63.100 0.092 0.000 0.767 110 P CB 0.593 32.296 31.700 0.005 0.000 0.799 111 E N 1.532 121.756 120.200 0.040 0.000 2.319 111 E HA 0.026 4.389 4.350 0.021 0.000 0.268 111 E C -1.440 175.218 176.600 0.096 0.000 1.050 111 E CA -0.142 56.280 56.400 0.037 0.000 0.878 111 E CB 1.876 31.586 29.700 0.017 0.000 1.066 111 E HN -0.231 8.151 8.360 0.038 0.000 0.406 112 F N -1.578 118.330 119.950 -0.070 0.000 2.669 112 F HA 0.830 5.487 4.527 -0.067 -0.171 0.315 112 F C -2.507 173.274 175.800 -0.031 0.000 1.109 112 F CA -1.617 56.338 58.000 -0.075 0.000 1.028 112 F CB 2.916 41.837 39.000 -0.131 0.000 1.287 112 F HN 0.057 8.268 8.300 -0.148 0.000 0.452 113 E N 2.516 122.750 120.200 0.056 0.000 2.433 113 E HA 0.455 4.682 4.350 -0.205 0.000 0.273 113 E C -2.486 174.216 176.600 0.169 0.000 0.950 113 E CA -2.077 54.313 56.400 -0.016 0.000 0.796 113 E CB 5.336 35.018 29.700 -0.030 0.000 1.330 113 E HN 0.791 9.268 8.360 0.196 0.000 0.455 114 I N -4.314 116.344 120.570 0.147 0.000 2.611 114 I HA 0.765 5.274 4.170 0.237 -0.196 0.287 114 I C -1.302 174.934 176.117 0.199 0.000 1.184 114 I CA -0.997 60.444 61.300 0.235 0.000 1.054 114 I CB 2.682 40.897 38.000 0.359 0.000 1.257 114 I HN 0.082 8.330 8.210 0.064 0.000 0.435 115 V N 5.495 125.544 119.914 0.226 0.000 2.394 115 V HA 0.234 4.421 4.120 0.112 0.000 0.282 115 V C -0.588 175.704 176.094 0.330 0.000 1.031 115 V CA -2.375 60.050 62.300 0.208 0.000 0.881 115 V CB 1.261 33.214 31.823 0.217 0.000 0.982 115 V HN 1.017 9.260 8.190 0.240 0.091 0.451 116 G N 4.825 113.766 108.800 0.235 0.000 2.368 116 G HA2 0.495 4.743 3.960 0.480 0.000 0.320 116 G HA3 0.495 4.638 3.960 0.304 0.000 0.320 116 G C -1.536 173.449 174.900 0.142 0.000 1.158 116 G CA -1.435 43.862 45.100 0.327 0.000 0.912 116 G HN -0.019 8.321 8.290 0.083 0.000 0.456 117 F N 4.777 124.596 119.950 -0.218 0.000 2.399 117 F HA 0.279 4.666 4.527 -0.233 0.000 0.328 117 F C 1.572 177.213 175.800 -0.266 0.000 1.084 117 F CA -1.038 56.709 58.000 -0.422 0.000 1.053 117 F CB 2.397 40.640 39.000 -1.263 0.000 1.209 117 F HN 0.675 9.016 8.300 0.243 0.105 0.502 118 T N 2.709 117.254 114.554 -0.016 0.000 2.680 118 T HA -0.530 3.830 4.350 0.016 0.000 0.268 118 T C 0.623 175.378 174.700 0.092 0.000 1.033 118 T CA 4.795 66.918 62.100 0.037 0.000 1.152 118 T CB 0.035 68.934 68.868 0.052 0.000 0.859 118 T HN 0.335 8.540 8.240 -0.058 0.000 0.452 119 N N -3.804 114.995 118.700 0.166 0.000 2.197 119 N HA 0.136 4.972 4.740 0.160 0.000 0.228 119 N C -1.871 173.844 175.510 0.343 0.000 1.212 119 N CA -0.678 52.519 53.050 0.245 0.000 0.883 119 N CB 1.811 40.452 38.487 0.256 0.000 1.107 119 N HN -0.092 8.379 8.380 0.177 0.015 0.519 120 H N -6.457 112.699 119.070 0.144 0.000 2.932 120 H HA 0.496 5.071 4.556 0.032 0.000 0.307 120 H C -2.851 172.558 175.328 0.135 0.000 1.391 120 H CA -1.211 54.880 56.048 0.072 0.000 1.130 120 H CB 1.378 31.121 29.762 -0.032 0.000 1.836 120 H HN -0.223 7.900 8.280 -0.043 0.131 0.522 121 I N -2.432 118.206 120.570 0.113 0.000 2.509 121 I HA 0.213 4.520 4.170 0.228 0.000 0.293 121 I C -1.549 174.637 176.117 0.117 0.000 1.020 121 I CA -1.304 60.034 61.300 0.063 0.000 1.088 121 I CB 3.152 40.951 38.000 -0.334 0.000 1.267 121 I HN 0.388 8.582 8.210 0.124 0.090 0.430 122 N N 6.491 125.317 118.700 0.210 0.000 2.626 122 N HA 0.327 5.139 4.740 0.120 0.000 0.242 122 N C -1.482 174.155 175.510 0.213 0.000 1.005 122 N CA -0.504 52.655 53.050 0.181 0.000 0.905 122 N CB 1.503 40.111 38.487 0.201 0.000 1.128 122 N HN 0.805 9.275 8.380 0.316 0.099 0.512 123 V N 3.915 123.951 119.914 0.203 0.000 2.439 123 V HA 0.200 4.558 4.120 0.214 -0.109 0.282 123 V C -2.001 174.213 176.094 0.200 0.000 1.039 123 V CA -0.203 62.214 62.300 0.195 0.000 0.913 123 V CB 1.611 33.502 31.823 0.114 0.000 0.983 123 V HN 1.117 9.338 8.190 0.209 0.095 0.460 124 M N 8.541 128.255 119.600 0.190 0.000 2.106 124 M HA 0.626 5.513 4.480 0.244 -0.261 0.288 124 M C -2.318 174.090 176.300 0.179 0.000 0.941 124 M CA -1.421 53.998 55.300 0.198 0.000 0.934 124 M CB 3.440 36.141 32.600 0.168 0.000 1.551 124 M HN 1.111 9.418 8.290 0.201 0.105 0.437 125 V N 7.873 127.885 119.914 0.163 0.000 2.348 125 V HA 0.108 4.259 4.120 0.052 0.000 0.270 125 V C -1.174 174.971 176.094 0.084 0.000 1.037 125 V CA -0.464 61.846 62.300 0.017 0.000 0.872 125 V CB 0.397 32.043 31.823 -0.295 0.000 1.002 125 V HN 0.271 8.527 8.190 0.268 0.094 0.464 126 K N 8.347 128.760 120.400 0.022 0.000 2.150 126 K HA 0.338 4.979 4.320 0.161 -0.224 0.261 126 K C -0.899 175.727 176.600 0.043 0.000 1.127 126 K CA -1.151 55.182 56.287 0.076 0.000 0.989 126 K CB -1.299 31.246 32.500 0.075 0.000 1.475 126 K HN 0.729 8.904 8.250 0.040 0.100 0.391 127 F N 4.301 124.373 119.950 0.204 0.000 2.371 127 F HA 0.270 4.949 4.527 0.252 0.000 0.329 127 F C -1.982 173.961 175.800 0.239 0.000 1.107 127 F CA -1.302 56.835 58.000 0.227 0.000 1.137 127 F CB 0.912 40.032 39.000 0.200 0.000 1.214 127 F HN 0.588 9.130 8.300 0.404 0.000 0.536 128 P HA -0.024 4.583 4.420 0.312 0.000 0.267 128 P C -1.635 175.888 177.300 0.371 0.000 1.201 128 P CA -0.163 63.206 63.100 0.447 0.000 0.775 128 P CB 0.883 32.966 31.700 0.638 0.000 0.854 129 S N -0.248 115.612 115.700 0.267 0.000 2.423 129 S HA 0.049 4.752 4.470 0.149 -0.143 0.302 129 S C -0.407 174.294 174.600 0.169 0.000 1.143 129 S CA -0.023 58.284 58.200 0.178 0.000 1.080 129 S CB -0.391 62.887 63.200 0.130 0.000 1.081 129 S HN 0.034 8.491 8.310 0.245 0.000 0.522 130 I N 3.346 123.968 120.570 0.086 0.000 2.686 130 I HA 0.173 4.367 4.170 0.040 0.000 0.295 130 I C -2.019 174.060 176.117 -0.062 0.000 1.114 130 I CA -1.443 59.847 61.300 -0.016 0.000 1.038 130 I CB 3.832 41.672 38.000 -0.267 0.000 1.238 130 I HN -0.465 7.787 8.210 0.071 0.000 0.420 131 V N 7.652 127.534 119.914 -0.053 0.000 2.322 131 V HA 0.152 4.241 4.120 -0.053 0.000 0.258 131 V C 0.692 176.742 176.094 -0.074 0.000 1.074 131 V CA -0.662 61.607 62.300 -0.052 0.000 0.909 131 V CB -0.251 31.558 31.823 -0.024 0.000 1.090 131 V HN 0.395 8.564 8.190 -0.035 0.000 0.486 132 E N 8.715 128.858 120.200 -0.094 0.000 2.253 132 E HA -0.500 3.784 4.350 -0.109 0.000 0.202 132 E C 1.325 177.894 176.600 -0.052 0.000 1.014 132 E CA 3.003 59.349 56.400 -0.089 0.000 0.823 132 E CB -0.820 28.822 29.700 -0.096 0.000 0.736 132 E HN 0.501 8.800 8.360 -0.101 0.000 0.478 133 E N -1.460 118.715 120.200 -0.042 0.000 2.396 133 E HA -0.230 4.107 4.350 -0.021 0.000 0.200 133 E C 0.656 177.248 176.600 -0.014 0.000 1.023 133 E CA 1.766 58.152 56.400 -0.024 0.000 0.857 133 E CB -0.428 29.260 29.700 -0.021 0.000 0.775 133 E HN 0.368 8.639 8.360 -0.048 0.060 0.525 134 E N -3.504 116.684 120.200 -0.020 0.000 2.968 134 E HA 0.187 4.538 4.350 0.003 0.000 0.202 134 E C -1.361 175.229 176.600 -0.017 0.000 0.979 134 E CA -0.701 55.694 56.400 -0.008 0.000 1.192 134 E CB 1.112 30.811 29.700 -0.001 0.000 1.059 134 E HN 0.014 8.145 8.360 -0.036 0.208 0.470 135 L N -0.032 121.177 121.223 -0.024 0.000 2.282 135 L HA 0.220 4.530 4.340 -0.050 0.000 0.288 135 L C -0.519 176.374 176.870 0.038 0.000 1.033 135 L CA -0.399 54.426 54.840 -0.024 0.000 0.807 135 L CB 0.669 42.697 42.059 -0.051 0.000 1.209 135 L HN -0.104 7.941 8.230 -0.021 0.173 0.423 136 Q N 3.841 123.665 119.800 0.039 0.000 2.365 136 Q HA -0.047 4.353 4.340 0.100 0.000 0.203 136 Q C -0.204 175.886 176.000 0.151 0.000 0.929 136 Q CA -0.045 55.808 55.803 0.084 0.000 0.948 136 Q CB 0.044 28.820 28.738 0.064 0.000 1.043 136 Q HN 0.370 8.641 8.270 0.001 0.000 0.505 137 F N -2.347 117.638 119.950 0.058 0.000 2.435 137 F HA -0.132 4.450 4.527 0.090 0.000 0.316 137 F C 0.463 176.277 175.800 0.023 0.000 1.220 137 F CA 0.348 58.379 58.000 0.052 0.000 1.241 137 F CB 0.600 39.611 39.000 0.018 0.000 1.234 137 F HN -0.566 7.763 8.300 0.200 0.090 0.569 138 D N -0.837 119.742 120.400 0.297 0.000 2.969 138 D HA 0.166 4.810 4.640 0.007 0.000 0.317 138 D C -1.981 174.141 176.300 -0.296 0.000 1.650 138 D CA 0.016 54.024 54.000 0.013 0.000 0.789 138 D CB 0.605 41.462 40.800 0.096 0.000 1.277 138 D HN 0.367 9.033 8.370 0.494 0.000 0.463 139 L N -3.942 117.052 121.223 -0.381 0.000 2.322 139 L HA 0.365 4.355 4.340 -0.584 0.000 0.269 139 L C -2.166 174.468 176.870 -0.394 0.000 1.012 139 L CA -1.420 53.117 54.840 -0.506 0.000 0.815 139 L CB 2.556 44.263 42.059 -0.587 0.000 1.295 139 L HN -0.578 7.442 8.230 -0.349 0.000 0.438 140 S N -1.406 114.117 115.700 -0.295 0.000 2.786 140 S HA 0.388 4.727 4.470 -0.218 0.000 0.307 140 S C -1.629 172.838 174.600 -0.222 0.000 1.121 140 S CA -1.050 57.020 58.200 -0.217 0.000 0.975 140 S CB 3.046 66.162 63.200 -0.140 0.000 1.220 140 S HN -0.328 7.822 8.310 -0.266 0.000 0.550 141 L N -0.021 121.093 121.223 -0.182 0.000 2.354 141 L HA 0.346 4.556 4.340 -0.216 0.000 0.269 141 L C -2.773 173.908 176.870 -0.315 0.000 1.005 141 L CA -0.917 53.786 54.840 -0.229 0.000 0.819 141 L CB 3.226 45.165 42.059 -0.199 0.000 1.311 141 L HN 0.181 8.337 8.230 -0.124 0.000 0.423 142 V N 5.326 124.947 119.914 -0.489 0.000 2.376 142 V HA 0.530 4.576 4.120 -0.474 -0.211 0.287 142 V C -0.946 174.715 176.094 -0.721 0.000 1.015 142 V CA -1.579 60.304 62.300 -0.695 0.000 0.834 142 V CB 1.278 32.332 31.823 -1.283 0.000 1.001 142 V HN 0.887 8.691 8.190 -0.471 0.104 0.428 143 I N 6.275 126.514 120.570 -0.552 0.000 2.278 143 I HA 0.375 4.399 4.170 -0.529 -0.172 0.296 143 I C 0.015 175.919 176.117 -0.354 0.000 1.121 143 I CA -3.479 57.507 61.300 -0.523 0.000 1.267 143 I CB -2.184 35.368 38.000 -0.746 0.000 1.447 143 I HN 0.712 8.542 8.210 -0.464 0.102 0.509 144 E N 9.208 129.222 120.200 -0.311 0.000 2.223 144 E HA 0.067 4.425 4.350 -0.219 -0.139 0.282 144 E C -1.368 175.181 176.600 -0.085 0.000 1.046 144 E CA -0.392 55.904 56.400 -0.174 0.000 0.857 144 E CB 1.250 30.921 29.700 -0.049 0.000 1.055 144 E HN -0.136 8.011 8.360 -0.355 0.000 0.409 145 E N 6.176 126.336 120.200 -0.067 0.000 2.073 145 E HA 0.204 4.577 4.350 0.037 0.000 0.269 145 E C -1.633 174.986 176.600 0.031 0.000 0.917 145 E CA -1.325 55.080 56.400 0.008 0.000 0.757 145 E CB 1.455 31.190 29.700 0.059 0.000 1.111 145 E HN 0.121 8.269 8.360 -0.166 0.112 0.410 146 Q N 8.809 128.668 119.800 0.099 0.000 2.842 146 Q HA 0.331 4.878 4.340 0.059 -0.172 0.323 146 Q C -0.635 175.460 176.000 0.158 0.000 1.111 146 Q CA -1.698 54.163 55.803 0.096 0.000 1.047 146 Q CB -0.076 28.708 28.738 0.076 0.000 1.280 146 Q HN -0.124 8.232 8.270 0.143 0.000 0.475 147 S N 2.461 118.265 115.700 0.173 0.000 2.513 147 S HA 0.121 4.939 4.470 0.301 -0.168 0.276 147 S C 0.456 175.134 174.600 0.129 0.000 1.254 147 S CA 0.092 58.429 58.200 0.229 0.000 1.053 147 S CB 1.678 65.031 63.200 0.255 0.000 0.958 147 S HN 0.502 9.178 8.310 0.121 -0.294 0.491 148 E N 7.367 127.631 120.200 0.107 0.000 2.294 148 E HA -0.433 3.945 4.350 0.047 0.000 0.228 148 E C -0.081 176.547 176.600 0.047 0.000 1.253 148 E CA 1.378 57.816 56.400 0.063 0.000 0.716 148 E CB -1.450 28.287 29.700 0.062 0.000 1.184 148 E HN 0.649 8.953 8.360 0.119 0.127 0.374 149 G N -4.736 104.091 108.800 0.045 0.000 2.217 149 G HA2 -0.453 3.524 3.960 0.027 0.000 0.246 149 G HA3 -0.453 3.522 3.960 0.025 0.000 0.246 149 G C -0.726 174.192 174.900 0.030 0.000 0.990 149 G CA 0.114 45.233 45.100 0.031 0.000 0.627 149 G HN -0.193 8.215 8.290 0.054 -0.085 0.522 150 I N 2.456 123.049 120.570 0.039 0.000 2.312 150 I HA 0.081 4.261 4.170 0.017 0.000 0.291 150 I C -0.890 175.240 176.117 0.023 0.000 1.031 150 I CA -0.082 61.234 61.300 0.027 0.000 1.293 150 I CB 0.456 38.474 38.000 0.030 0.000 1.403 150 I HN 0.163 8.196 8.210 0.053 0.209 0.484 151 V N 7.955 127.872 119.914 0.005 0.000 2.481 151 V HA 0.060 4.291 4.120 0.005 -0.109 0.286 151 V C -0.573 175.495 176.094 -0.044 0.000 1.042 151 V CA -0.511 61.785 62.300 -0.007 0.000 0.928 151 V CB 0.950 32.771 31.823 -0.004 0.000 0.986 151 V HN 0.310 8.502 8.190 0.002 0.000 0.462 152 K N 6.845 127.195 120.400 -0.084 0.000 2.512 152 K HA 0.307 4.534 4.320 -0.154 0.000 0.263 152 K C -2.248 174.206 176.600 -0.242 0.000 0.966 152 K CA -1.318 54.854 56.287 -0.192 0.000 0.851 152 K CB 4.541 36.863 32.500 -0.296 0.000 1.395 152 K HN 0.120 8.250 8.250 -0.062 0.082 0.440 153 K N 0.476 120.690 120.400 -0.309 0.000 2.616 153 K HA 0.294 4.464 4.320 -0.250 0.000 0.241 153 K C -1.350 175.038 176.600 -0.353 0.000 0.961 153 K CA -0.980 55.153 56.287 -0.258 0.000 0.942 153 K CB 1.098 33.568 32.500 -0.051 0.000 1.153 153 K HN 0.312 8.372 8.250 -0.318 0.000 0.452 154 H N 4.319 123.242 119.070 -0.246 0.000 2.525 154 H HA 0.124 4.609 4.556 -0.118 0.000 0.339 154 H C -0.499 174.665 175.328 -0.273 0.000 1.109 154 H CA 0.486 56.389 56.048 -0.241 0.000 1.352 154 H CB 2.342 31.844 29.762 -0.433 0.000 1.461 154 H HN 0.703 8.641 8.280 -0.361 0.125 0.533 155 K N 1.099 121.490 120.400 -0.015 0.000 3.029 155 K HA 0.607 5.061 4.320 -0.162 -0.231 0.169 155 K C -2.554 174.062 176.600 0.027 0.000 1.090 155 K CA -3.458 52.789 56.287 -0.067 0.000 0.883 155 K CB -0.383 32.076 32.500 -0.069 0.000 1.080 155 K HN 0.029 8.333 8.250 0.089 0.000 0.613 156 P HA -0.093 4.445 4.420 0.197 0.000 0.269 156 P C -0.970 176.431 177.300 0.167 0.000 1.215 156 P CA -0.630 62.598 63.100 0.213 0.000 0.780 156 P CB 0.777 32.736 31.700 0.433 0.000 0.898 157 E N 1.400 121.667 120.200 0.112 0.000 2.406 157 E HA -0.185 4.175 4.350 0.016 0.000 0.258 157 E C -0.349 176.276 176.600 0.042 0.000 1.043 157 E CA 0.621 57.046 56.400 0.041 0.000 0.929 157 E CB 0.078 29.776 29.700 -0.002 0.000 0.969 157 E HN 0.114 8.535 8.360 0.102 0.000 0.462 158 I N 4.418 124.993 120.570 0.008 0.000 3.806 158 I HA -0.022 4.135 4.170 -0.021 0.000 0.321 158 I C 0.252 176.284 176.117 -0.141 0.000 1.315 158 I CA -0.653 60.621 61.300 -0.044 0.000 1.148 158 I CB -0.516 37.435 38.000 -0.082 0.000 1.028 158 I HN 0.182 8.380 8.210 -0.019 0.000 0.415 159 K N 2.497 122.829 120.400 -0.114 0.000 2.360 159 K HA -0.142 4.247 4.320 -0.106 -0.132 0.225 159 K C 0.192 176.710 176.600 -0.136 0.000 1.246 159 K CA 0.827 57.048 56.287 -0.110 0.000 1.198 159 K CB -1.953 30.500 32.500 -0.078 0.000 1.348 159 K HN -0.014 8.085 8.250 -0.086 0.100 0.232 160 G N 1.703 110.400 108.800 -0.171 0.000 2.154 160 G HA2 -0.222 3.624 3.960 -0.154 0.000 0.186 160 G HA3 -0.222 3.667 3.960 -0.149 -0.018 0.186 160 G C -0.119 174.622 174.900 -0.265 0.000 1.000 160 G CA -0.221 44.772 45.100 -0.178 0.000 0.664 160 G HN 0.575 8.665 8.290 -0.182 0.091 0.513 161 N N -1.406 117.060 118.700 -0.390 0.000 2.322 161 N HA 0.019 4.336 4.740 -0.705 0.000 0.181 161 N C -0.524 174.702 175.510 -0.473 0.000 1.088 161 N CA 0.762 53.340 53.050 -0.787 0.000 0.885 161 N CB 1.454 39.008 38.487 -1.555 0.000 1.013 161 N HN -0.314 7.745 8.380 -0.321 0.129 0.472 162 M N -1.325 118.094 119.600 -0.301 0.000 3.057 162 M HA 0.008 4.312 4.480 -0.294 0.000 0.246 162 M C -1.243 174.981 176.300 -0.127 0.000 1.289 162 M CA 0.085 55.126 55.300 -0.431 0.000 1.161 162 M CB -0.366 31.680 32.600 -0.923 0.000 1.302 162 M HN -0.641 7.458 8.290 -0.319 0.000 0.483 163 S N -3.370 112.333 115.700 0.006 0.000 2.902 163 S HA 0.350 5.038 4.470 0.073 -0.174 0.250 163 S C 0.139 174.813 174.600 0.123 0.000 1.046 163 S CA -0.938 57.291 58.200 0.048 0.000 1.069 163 S CB 1.663 64.841 63.200 -0.036 0.000 0.967 163 S HN -0.961 7.233 8.310 -0.022 0.103 0.530 164 G N 1.577 110.511 108.800 0.224 0.000 2.384 164 G HA2 -0.226 3.954 3.960 0.202 0.000 0.113 164 G HA3 -0.226 3.812 3.960 0.130 0.000 0.113 164 G C -2.909 172.121 174.900 0.216 0.000 1.224 164 G CA 0.139 45.354 45.100 0.192 0.000 1.126 164 G HN -0.231 8.263 8.290 0.341 0.000 0.461 165 N N 3.189 121.982 118.700 0.155 0.000 2.895 165 N HA -0.110 4.742 4.740 0.185 0.000 0.277 165 N C -0.333 175.303 175.510 0.211 0.000 1.185 165 N CA -0.603 52.547 53.050 0.168 0.000 1.106 165 N CB -1.061 37.496 38.487 0.117 0.000 1.422 165 N HN 0.022 8.471 8.380 0.115 0.000 0.521 166 F N 5.211 125.245 119.950 0.140 0.000 2.623 166 F HA -0.308 4.296 4.527 0.128 0.000 0.381 166 F C -0.777 175.088 175.800 0.108 0.000 1.081 166 F CA 1.100 59.186 58.000 0.143 0.000 1.293 166 F CB 1.068 40.190 39.000 0.203 0.000 1.006 166 F HN 0.704 9.161 8.300 0.440 0.107 0.578 167 T N 8.473 123.255 114.554 0.380 0.000 2.912 167 T HA 0.144 4.775 4.350 0.269 -0.120 0.326 167 T C -1.581 173.309 174.700 0.317 0.000 1.080 167 T CA -0.530 61.734 62.100 0.272 0.000 1.000 167 T CB 0.068 68.997 68.868 0.101 0.000 1.008 167 T HN -0.085 8.242 8.240 0.145 0.000 0.473 168 Y N 7.719 128.124 120.300 0.176 0.000 2.446 168 Y HA 0.277 4.866 4.550 0.065 0.000 0.345 168 Y C -3.053 172.834 175.900 -0.021 0.000 0.984 168 Y CA -1.628 56.512 58.100 0.066 0.000 1.058 168 Y CB 3.995 42.464 38.460 0.014 0.000 1.220 168 Y HN 1.083 9.473 8.280 0.364 0.108 0.455 169 I N 4.768 125.145 120.570 -0.322 0.000 2.411 169 I HA 0.361 4.735 4.170 0.056 -0.170 0.284 169 I C -1.033 174.972 176.117 -0.187 0.000 1.012 169 I CA -2.780 58.437 61.300 -0.138 0.000 1.119 169 I CB 1.494 39.388 38.000 -0.175 0.000 1.261 169 I HN 0.200 7.851 8.210 -0.932 0.000 0.448 170 I N 7.281 127.885 120.570 0.057 0.000 2.294 170 I HA -0.003 4.180 4.170 0.021 0.000 0.295 170 I C -1.118 174.981 176.117 -0.030 0.000 1.098 170 I CA -0.281 61.028 61.300 0.014 0.000 1.277 170 I CB -0.673 37.282 38.000 -0.075 0.000 1.434 170 I HN 0.075 8.246 8.210 0.083 0.088 0.498 171 D N 7.585 127.966 120.400 -0.032 0.000 2.627 171 D HA 0.145 4.821 4.640 0.060 0.000 0.259 171 D C -0.191 176.120 176.300 0.018 0.000 1.164 171 D CA -2.097 51.906 54.000 0.006 0.000 1.087 171 D CB 2.270 43.045 40.800 -0.041 0.000 1.217 171 D HN -0.370 7.958 8.370 -0.070 0.000 0.630 172 K N -2.519 117.894 120.400 0.023 0.000 3.161 172 K HA -0.299 4.034 4.320 0.021 0.000 0.270 172 K C -1.030 175.595 176.600 0.041 0.000 1.115 172 K CA 0.909 57.212 56.287 0.026 0.000 0.789 172 K CB -1.279 31.234 32.500 0.020 0.000 1.256 172 K HN 0.326 8.588 8.250 0.020 0.000 0.492 173 L N -4.015 117.242 121.223 0.057 0.000 2.350 173 L HA 0.317 4.690 4.340 0.054 0.000 0.260 173 L C -1.222 175.691 176.870 0.072 0.000 1.015 173 L CA -1.746 53.132 54.840 0.064 0.000 0.821 173 L CB 3.077 45.179 42.059 0.071 0.000 1.370 173 L HN -0.772 7.499 8.230 0.068 0.000 0.416 174 I N -4.317 116.292 120.570 0.065 0.000 2.577 174 I HA 0.454 4.660 4.170 0.060 0.000 0.305 174 I C -1.777 174.379 176.117 0.064 0.000 0.986 174 I CA -3.092 58.243 61.300 0.058 0.000 1.189 174 I CB 0.296 38.321 38.000 0.041 0.000 1.355 174 I HN -0.030 8.217 8.210 0.061 0.000 0.476 175 P HA -0.228 4.440 4.420 0.059 -0.213 0.271 175 P C -0.626 176.700 177.300 0.042 0.000 1.197 175 P CA 0.390 63.519 63.100 0.049 0.000 0.777 175 P CB 0.230 31.950 31.700 0.032 0.000 0.827 176 N N -1.418 117.303 118.700 0.036 0.000 2.663 176 N HA -0.401 4.346 4.740 0.012 0.000 0.263 176 N C -1.845 173.695 175.510 0.049 0.000 1.109 176 N CA 1.216 54.282 53.050 0.026 0.000 0.701 176 N CB -0.921 37.573 38.487 0.012 0.000 0.879 176 N HN 0.358 8.758 8.380 0.032 0.000 0.550 177 T N -1.097 113.504 114.554 0.080 0.000 3.317 177 T HA 0.131 4.549 4.350 0.113 0.000 0.361 177 T C -1.374 173.412 174.700 0.143 0.000 1.499 177 T CA -1.006 61.181 62.100 0.145 0.000 1.529 177 T CB 0.744 69.744 68.868 0.220 0.000 0.997 177 T HN -0.361 7.923 8.240 0.073 0.000 0.624 178 N N 3.910 122.624 118.700 0.024 0.000 2.399 178 N HA -0.068 4.647 4.740 -0.275 -0.141 0.259 178 N C -0.831 174.656 175.510 -0.038 0.000 1.160 178 N CA -0.466 52.519 53.050 -0.109 0.000 0.946 178 N CB -0.162 38.274 38.487 -0.085 0.000 1.156 178 N HN 0.093 8.490 8.380 0.028 0.000 0.489 179 Y N -0.679 119.640 120.300 0.033 0.000 2.377 179 Y HA 0.672 5.514 4.550 0.033 -0.272 0.339 179 Y C -1.140 174.787 175.900 0.046 0.000 1.011 179 Y CA -3.609 54.515 58.100 0.039 0.000 1.093 179 Y CB 1.223 39.714 38.460 0.051 0.000 1.201 179 Y HN -0.217 7.438 8.280 -1.043 0.000 0.455 180 c N 3.947 122.656 118.600 0.183 0.000 2.256 180 c HA 0.203 5.044 4.570 0.122 -0.198 0.333 180 c C -0.196 174.003 174.090 0.183 0.000 1.183 180 c CA -0.235 56.180 56.329 0.144 0.000 1.692 180 c CB -1.701 40.862 42.510 0.088 0.000 2.274 180 c HN 0.367 8.597 8.230 0.177 0.106 0.509 181 V N 9.994 130.050 119.914 0.237 0.000 2.364 181 V HA 0.723 5.198 4.120 0.075 -0.309 0.272 181 V C -0.564 175.520 176.094 -0.017 0.000 1.036 181 V CA -0.385 61.999 62.300 0.140 0.000 0.880 181 V CB 1.754 33.697 31.823 0.201 0.000 0.991 181 V HN 0.875 9.148 8.190 0.282 0.086 0.460 182 S N 6.607 122.220 115.700 -0.146 0.000 2.690 182 S HA 0.289 4.530 4.470 -0.381 0.000 0.291 182 S C -0.960 173.343 174.600 -0.494 0.000 1.138 182 S CA -1.649 56.380 58.200 -0.285 0.000 1.013 182 S CB 2.240 65.403 63.200 -0.061 0.000 1.053 182 S HN 0.061 8.313 8.310 -0.096 0.000 0.539 183 V N 4.258 123.835 119.914 -0.562 0.000 2.383 183 V HA 0.261 4.170 4.120 -0.550 -0.119 0.261 183 V C -1.605 174.344 176.094 -0.241 0.000 0.987 183 V CA -0.629 61.349 62.300 -0.536 0.000 0.853 183 V CB 0.160 31.537 31.823 -0.744 0.000 1.095 183 V HN -0.179 7.717 8.190 -0.490 0.000 0.461 184 Y N 2.632 122.812 120.300 -0.199 0.000 2.387 184 Y HA 0.390 5.011 4.550 -0.049 -0.100 0.336 184 Y C -2.072 173.778 175.900 -0.083 0.000 1.067 184 Y CA -2.886 55.157 58.100 -0.096 0.000 1.114 184 Y CB 2.205 40.621 38.460 -0.073 0.000 1.208 184 Y HN -0.299 7.735 8.280 -0.410 0.000 0.458 185 L N -1.909 119.438 121.223 0.208 0.000 2.454 185 L HA 0.372 4.741 4.340 -0.083 -0.078 0.256 185 L C -1.150 175.844 176.870 0.206 0.000 1.136 185 L CA -1.114 53.772 54.840 0.078 0.000 0.804 185 L CB 2.066 44.144 42.059 0.031 0.000 1.181 185 L HN 0.110 8.503 8.230 0.272 0.000 0.469 186 E N -4.334 115.908 120.200 0.070 0.000 2.274 186 E HA 0.335 4.780 4.350 0.160 0.000 0.269 186 E C -1.019 175.599 176.600 0.029 0.000 0.891 186 E CA -1.313 55.148 56.400 0.101 0.000 0.784 186 E CB 2.947 32.708 29.700 0.101 0.000 1.225 186 E HN -0.427 7.910 8.360 -0.038 0.000 0.412 187 H N 5.129 124.191 119.070 -0.012 0.000 2.388 187 H HA 0.218 4.747 4.556 -0.045 0.000 0.304 187 H C 0.183 175.490 175.328 -0.034 0.000 1.049 187 H CA 2.154 58.180 56.048 -0.036 0.000 1.371 187 H CB 1.307 31.039 29.762 -0.051 0.000 1.436 187 H HN 0.311 8.694 8.280 0.173 0.000 0.544 188 S N -3.901 111.866 115.700 0.111 0.000 3.750 188 S HA -0.017 4.472 4.470 0.031 0.000 0.117 188 S C -1.979 172.634 174.600 0.023 0.000 0.847 188 S CA 0.409 58.641 58.200 0.053 0.000 0.850 188 S CB 0.115 63.356 63.200 0.068 0.000 1.149 188 S HN -0.152 8.228 8.310 0.116 0.000 0.694 189 D N 0.252 120.665 120.400 0.022 0.000 2.710 189 D HA 0.061 4.700 4.640 -0.002 0.000 0.276 189 D C -0.949 175.353 176.300 0.002 0.000 1.267 189 D CA -0.029 53.971 54.000 -0.000 0.000 0.772 189 D CB 1.285 42.069 40.800 -0.027 0.000 1.299 189 D HN -0.492 7.903 8.370 0.042 0.000 0.421 190 E N -0.592 119.598 120.200 -0.017 0.000 2.423 190 E HA 0.059 4.393 4.350 -0.027 0.000 0.198 190 E C -0.392 176.163 176.600 -0.075 0.000 1.038 190 E CA 0.061 56.439 56.400 -0.037 0.000 1.011 190 E CB 0.103 29.785 29.700 -0.029 0.000 1.118 190 E HN 0.253 8.601 8.360 -0.020 0.000 0.451 191 Q N -2.418 117.342 119.800 -0.066 0.000 2.214 191 Q HA 0.104 4.392 4.340 -0.088 0.000 0.229 191 Q C -0.195 175.760 176.000 -0.076 0.000 0.835 191 Q CA -0.018 55.741 55.803 -0.073 0.000 0.953 191 Q CB 0.853 29.561 28.738 -0.049 0.000 1.131 191 Q HN -0.147 7.995 8.270 -0.047 0.099 0.501 192 A N 1.193 123.976 122.820 -0.063 0.000 2.988 192 A HA 0.232 4.541 4.320 -0.018 0.000 0.288 192 A C -1.110 176.430 177.584 -0.073 0.000 1.385 192 A CA -0.700 51.321 52.037 -0.026 0.000 1.001 192 A CB -0.268 18.752 19.000 0.033 0.000 1.071 192 A HN -0.046 8.073 8.150 -0.052 0.000 0.608 193 V N -2.163 117.604 119.914 -0.245 0.000 2.276 193 V HA 0.086 3.703 4.120 -0.838 0.000 0.249 193 V C -0.668 175.254 176.094 -0.286 0.000 1.160 193 V CA -0.909 61.035 62.300 -0.594 0.000 1.042 193 V CB -0.342 30.959 31.823 -0.870 0.000 1.224 193 V HN -0.890 7.079 8.190 -0.208 0.096 0.496 194 I N 7.210 127.758 120.570 -0.037 0.000 2.330 194 I HA -0.011 4.170 4.170 0.019 0.000 0.280 194 I C -1.121 175.064 176.117 0.114 0.000 1.069 194 I CA -2.026 59.315 61.300 0.068 0.000 1.873 194 I CB -3.207 34.889 38.000 0.160 0.000 1.476 194 I HN -0.076 8.173 8.210 0.065 0.000 0.813 195 K N 4.760 125.177 120.400 0.029 0.000 2.237 195 K HA -0.142 4.296 4.320 0.197 0.000 0.283 195 K C -0.479 176.148 176.600 0.044 0.000 1.080 195 K CA 0.000 56.338 56.287 0.085 0.000 0.965 195 K CB -1.013 31.503 32.500 0.027 0.000 1.098 195 K HN -0.297 7.817 8.250 -0.093 0.080 0.434 196 S N 7.005 122.725 115.700 0.033 0.000 2.589 196 S HA 0.175 4.839 4.470 0.063 -0.156 0.265 196 S C -1.311 173.342 174.600 0.087 0.000 1.342 196 S CA -1.419 56.814 58.200 0.056 0.000 1.005 196 S CB -0.713 62.528 63.200 0.068 0.000 0.909 196 S HN -0.428 7.889 8.310 0.012 0.000 0.555 197 P HA -0.124 4.351 4.420 0.092 0.000 0.256 197 P C -0.947 176.500 177.300 0.246 0.000 1.189 197 P CA 0.432 63.615 63.100 0.138 0.000 0.808 197 P CB -0.637 31.127 31.700 0.107 0.000 0.793 198 L N 2.401 123.735 121.223 0.185 0.000 2.453 198 L HA -0.270 4.389 4.340 0.266 -0.159 0.283 198 L C 0.755 177.814 176.870 0.315 0.000 1.284 198 L CA 1.192 56.180 54.840 0.247 0.000 0.822 198 L CB 0.331 42.470 42.059 0.133 0.000 1.081 198 L HN -0.247 8.052 8.230 0.115 0.000 0.562 199 K N -0.180 120.420 120.400 0.334 0.000 2.535 199 K HA 0.155 4.515 4.320 0.066 0.000 0.253 199 K C -1.373 175.283 176.600 0.093 0.000 0.953 199 K CA -0.664 55.731 56.287 0.180 0.000 0.863 199 K CB 0.924 33.556 32.500 0.219 0.000 1.111 199 K HN -0.329 8.118 8.250 0.333 0.003 0.431 200 c N 8.195 126.793 118.600 -0.004 0.000 2.298 200 c HA 0.481 5.249 4.570 -0.074 -0.243 0.451 200 c C -0.317 173.646 174.090 -0.212 0.000 1.028 200 c CA -0.282 55.996 56.329 -0.086 0.000 1.324 200 c CB -1.885 40.593 42.510 -0.053 0.000 1.534 200 c HN 0.992 9.217 8.230 -0.009 0.000 0.528 201 T N 5.810 120.135 114.554 -0.382 0.000 2.743 201 T HA 0.080 4.272 4.350 -0.264 0.000 0.293 201 T C -1.491 172.787 174.700 -0.704 0.000 0.945 201 T CA 0.520 62.359 62.100 -0.435 0.000 1.030 201 T CB 0.995 69.702 68.868 -0.268 0.000 0.912 201 T HN -0.044 7.929 8.240 -0.387 0.035 0.483 202 L N 7.157 128.161 121.223 -0.365 0.000 2.431 202 L HA 0.295 4.600 4.340 -0.329 -0.162 0.260 202 L C -2.105 174.678 176.870 -0.146 0.000 1.098 202 L CA -1.757 52.928 54.840 -0.258 0.000 0.800 202 L CB 2.620 44.592 42.059 -0.146 0.000 1.210 202 L HN 0.260 8.339 8.230 -0.252 0.000 0.465 203 L N -5.993 115.198 121.223 -0.054 0.000 2.303 203 L HA 0.644 5.080 4.340 -0.058 -0.131 0.266 203 L C -1.644 175.204 176.870 -0.036 0.000 1.011 203 L CA -4.191 50.635 54.840 -0.024 0.000 0.818 203 L CB 0.013 42.104 42.059 0.053 0.000 1.326 203 L HN -0.130 8.080 8.230 -0.034 0.000 0.435 204 P HA 0.029 4.421 4.420 -0.047 0.000 0.258 204 P C -1.769 175.521 177.300 -0.017 0.000 1.214 204 P CA -1.473 61.604 63.100 -0.040 0.000 0.872 204 P CB -1.230 30.444 31.700 -0.044 0.000 0.890 205 P HA -0.059 4.510 4.420 0.002 -0.147 0.265 205 P C 0.121 177.415 177.300 -0.010 0.000 1.222 205 P CA -0.381 62.714 63.100 -0.009 0.000 0.767 205 P CB 0.218 31.910 31.700 -0.014 0.000 0.801 206 G N 2.488 111.286 108.800 -0.003 0.000 3.332 206 G HA2 -0.111 3.842 3.960 -0.012 0.000 0.242 206 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.242 206 G C -0.360 174.525 174.900 -0.024 0.000 1.276 206 G CA 0.141 45.235 45.100 -0.009 0.000 0.988 206 G HN 0.491 8.752 8.290 0.006 0.033 0.517 207 Q N -1.622 118.163 119.800 -0.026 0.000 2.297 207 Q HA -0.098 4.218 4.340 -0.040 0.000 0.265 207 Q C -1.107 174.862 176.000 -0.051 0.000 0.904 207 Q CA -0.711 55.071 55.803 -0.036 0.000 0.969 207 Q CB -0.550 28.173 28.738 -0.025 0.000 1.115 207 Q HN -0.055 8.082 8.270 -0.020 0.121 0.433 208 E N 0.948 121.110 120.200 -0.063 0.000 4.068 208 E HA -0.001 4.314 4.350 -0.058 0.000 0.355 208 E C 0.345 176.859 176.600 -0.144 0.000 1.511 208 E CA -0.443 55.909 56.400 -0.080 0.000 1.957 208 E CB 0.217 29.877 29.700 -0.067 0.000 1.345 208 E HN -0.074 8.146 8.360 -0.057 0.106 0.796 209 S N 0.929 116.505 115.700 -0.208 0.000 2.695 209 S HA -0.237 4.076 4.470 -0.262 0.000 0.250 209 S C -1.130 173.126 174.600 -0.572 0.000 1.355 209 S CA 1.160 59.118 58.200 -0.403 0.000 0.965 209 S CB 0.543 63.407 63.200 -0.560 0.000 0.987 209 S HN 0.019 8.239 8.310 -0.150 0.000 0.576 210 E N -1.497 118.146 120.200 -0.928 0.000 2.334 210 E HA 0.237 4.286 4.350 -0.501 0.000 0.280 210 E C -1.551 174.670 176.600 -0.631 0.000 0.899 210 E CA -0.378 55.648 56.400 -0.624 0.000 0.813 210 E CB 0.566 30.113 29.700 -0.256 0.000 1.318 210 E HN 0.166 7.794 8.360 -1.220 0.000 0.399 211 F N 1.669 121.622 119.950 0.006 0.000 2.922 211 F HA 0.345 4.875 4.527 0.004 0.000 0.345 211 F C 1.379 177.183 175.800 0.006 0.000 1.209 211 F CA -1.105 56.898 58.000 0.005 0.000 1.018 211 F CB -0.256 38.746 39.000 0.005 0.000 1.472 211 F HN 0.009 8.137 8.300 -0.287 0.000 0.521 212 S N 0.000 115.842 115.700 0.237 0.000 2.498 212 S HA 0.000 4.526 4.470 0.094 0.000 0.327 212 S CA 0.000 58.273 58.200 0.121 0.000 1.107 212 S CB 0.000 63.250 63.200 0.084 0.000 0.593 212 S HN 0.000 8.476 8.310 0.276 0.000 0.517