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 2wzy_1_I DATA FIRST_RESID 0 DATA SEQUENCE LHSQANLMRL KSDLFNRSPM YPGPTKDDPL TVTLGFTLQD IVKADSSTNE DATA SEQUENCE VDLVYYEQQR WKLNSLMWDP NEYGNITDFR TSAADIWTPD ITAYSSTRPV DATA SEQUENCE QVLSPQIAVV THDGSVMFIP AQRLSFMcDP TGVDSEEGAT cAVKFGSWVY DATA SEQUENCE SGFEIDLKTD TDQVDLSSYY ASSKYEILSA TQTRQVQHYS CCPEPYIDVN DATA SEQUENCE LVVKFRERR 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 0 L HA 0.000 nan 4.340 nan 0.000 0.249 0 L C 0.000 176.873 176.870 0.006 0.000 1.165 0 L CA 0.000 54.888 54.840 0.080 0.000 0.813 0 L CB 0.000 42.062 42.059 0.005 0.000 0.961 1 H N -1.957 117.113 119.070 -0.000 0.000 4.705 1 H HA -0.283 4.274 4.556 0.002 0.000 0.072 1 H C 1.533 176.864 175.328 0.006 0.000 0.616 1 H CA 1.297 57.346 56.048 0.003 0.000 0.939 1 H CB -1.408 28.357 29.762 0.004 0.000 0.416 1 H HN 0.292 8.572 8.280 -0.000 0.000 0.805 2 S N 0.259 116.044 115.700 0.141 0.000 2.357 2 S HA -0.135 4.336 4.470 0.002 0.000 0.221 2 S C 1.797 176.426 174.600 0.048 0.000 1.031 2 S CA 1.897 60.145 58.200 0.079 0.000 0.982 2 S CB -0.100 63.138 63.200 0.063 0.000 0.853 2 S HN 0.421 8.731 8.310 -0.000 0.000 0.458 3 Q N 0.346 120.168 119.800 0.036 0.000 2.061 3 Q HA -0.119 4.222 4.340 0.002 0.000 0.204 3 Q C 2.480 178.478 176.000 -0.003 0.000 0.984 3 Q CA 1.640 57.449 55.803 0.009 0.000 0.846 3 Q CB -0.414 28.326 28.738 0.003 0.000 0.902 3 Q HN 0.678 8.948 8.270 -0.000 0.000 0.421 4 A N 1.316 124.144 122.820 0.014 0.000 1.902 4 A HA -0.214 4.107 4.320 0.002 0.000 0.217 4 A C 1.792 179.386 177.584 0.017 0.000 1.181 4 A CA 1.574 53.617 52.037 0.010 0.000 0.623 4 A CB -0.527 18.484 19.000 0.019 0.000 0.818 4 A HN 0.309 8.459 8.150 -0.000 0.000 0.443 5 N N -0.305 118.423 118.700 0.045 0.000 2.166 5 N HA -0.126 4.615 4.740 0.002 0.000 0.186 5 N C 1.597 177.078 175.510 -0.047 0.000 1.019 5 N CA 1.390 54.472 53.050 0.054 0.000 0.856 5 N CB -0.475 38.063 38.487 0.085 0.000 0.993 5 N HN 0.407 8.787 8.380 -0.000 0.000 0.426 6 L N 1.149 122.325 121.223 -0.078 0.000 2.017 6 L HA -0.004 4.337 4.340 0.002 0.000 0.208 6 L C 2.138 178.862 176.870 -0.243 0.000 1.073 6 L CA 1.432 56.165 54.840 -0.178 0.000 0.745 6 L CB -0.552 41.447 42.059 -0.099 0.000 0.894 6 L HN 0.103 8.333 8.230 -0.000 0.000 0.432 7 M N -1.220 118.293 119.600 -0.144 0.000 2.117 7 M HA -0.195 4.286 4.480 0.002 0.000 0.262 7 M C 2.362 178.570 176.300 -0.152 0.000 1.065 7 M CA 1.613 56.833 55.300 -0.132 0.000 1.114 7 M CB -0.372 32.185 32.600 -0.071 0.000 1.361 7 M HN 0.174 8.464 8.290 -0.000 0.000 0.408 8 R N 0.145 120.575 120.500 -0.116 0.000 2.081 8 R HA -0.135 4.206 4.340 0.002 0.000 0.235 8 R C 2.208 178.350 176.300 -0.264 0.000 1.131 8 R CA 1.174 57.225 56.100 -0.082 0.000 0.960 8 R CB -0.616 29.724 30.300 0.067 0.000 0.856 8 R HN 0.260 8.530 8.270 -0.000 0.000 0.436 9 L N 1.633 122.528 121.223 -0.547 0.000 2.017 9 L HA -0.153 4.188 4.340 0.002 0.000 0.208 9 L C 1.717 178.058 176.870 -0.882 0.000 1.073 9 L CA 1.870 56.047 54.840 -1.106 0.000 0.745 9 L CB -0.209 41.069 42.059 -1.302 0.000 0.894 9 L HN -0.053 8.177 8.230 -0.000 0.000 0.432 10 K N -0.792 119.162 120.400 -0.743 0.000 2.097 10 K HA -0.071 4.250 4.320 0.002 0.000 0.205 10 K C 2.043 178.468 176.600 -0.292 0.000 1.050 10 K CA 1.382 57.287 56.287 -0.636 0.000 0.938 10 K CB -0.202 32.054 32.500 -0.407 0.000 0.718 10 K HN 0.345 8.595 8.250 -0.000 0.000 0.442 11 S N 1.570 117.149 115.700 -0.202 0.000 2.353 11 S HA -0.217 4.254 4.470 0.002 0.000 0.222 11 S C 1.706 176.234 174.600 -0.119 0.000 1.035 11 S CA 1.880 60.026 58.200 -0.090 0.000 1.025 11 S CB -0.405 62.754 63.200 -0.069 0.000 0.902 11 S HN 0.355 8.665 8.310 -0.000 0.000 0.440 12 D N 1.137 121.418 120.400 -0.198 0.000 2.123 12 D HA -0.075 4.566 4.640 0.002 0.000 0.196 12 D C 1.818 178.010 176.300 -0.180 0.000 0.992 12 D CA 1.031 54.943 54.000 -0.147 0.000 0.833 12 D CB -0.217 40.508 40.800 -0.126 0.000 0.954 12 D HN 0.315 8.685 8.370 -0.000 0.000 0.455 13 L N -1.167 119.833 121.223 -0.371 0.000 2.072 13 L HA -0.033 4.308 4.340 0.002 0.000 0.205 13 L C 2.005 178.692 176.870 -0.305 0.000 1.079 13 L CA 0.767 55.355 54.840 -0.420 0.000 0.752 13 L CB -0.373 41.255 42.059 -0.719 0.000 0.906 13 L HN 0.098 8.328 8.230 -0.000 0.000 0.436 14 F N -1.090 118.838 119.950 -0.037 0.000 2.619 14 F HA 0.074 4.602 4.527 0.001 0.000 0.293 14 F C 2.038 177.838 175.800 0.001 0.000 1.119 14 F CA 0.006 58.005 58.000 -0.002 0.000 1.445 14 F CB 0.152 39.140 39.000 -0.020 0.000 1.119 14 F HN 0.086 8.386 8.300 -0.000 0.000 0.573 15 N N -0.333 118.445 118.700 0.130 0.000 2.419 15 N HA 0.121 4.862 4.740 0.002 0.000 0.216 15 N C 1.343 176.883 175.510 0.050 0.000 1.118 15 N CA 0.288 53.388 53.050 0.083 0.000 0.850 15 N CB 0.126 38.649 38.487 0.061 0.000 1.292 15 N HN 0.191 8.571 8.380 -0.000 0.000 0.467 16 R N 0.170 120.687 120.500 0.029 0.000 2.312 16 R HA 0.328 4.669 4.340 0.002 0.000 0.205 16 R C -0.082 176.236 176.300 0.030 0.000 0.904 16 R CA 0.178 56.293 56.100 0.025 0.000 1.052 16 R CB 0.600 30.910 30.300 0.016 0.000 1.014 16 R HN -0.089 8.181 8.270 -0.000 0.000 0.503 17 S N 1.536 117.256 115.700 0.033 0.000 2.536 17 S HA 0.415 4.886 4.470 0.002 0.000 0.298 17 S C -2.548 172.092 174.600 0.066 0.000 1.083 17 S CA -1.391 56.835 58.200 0.044 0.000 0.995 17 S CB 2.184 65.405 63.200 0.035 0.000 1.058 17 S HN -0.022 8.288 8.310 -0.000 0.000 0.488 18 P HA 0.209 4.629 4.420 -0.000 0.000 0.276 18 P C -0.832 176.535 177.300 0.110 0.000 1.235 18 P CA -0.180 62.968 63.100 0.079 0.000 0.772 18 P CB 0.398 32.134 31.700 0.060 0.000 0.871 19 M N 2.637 122.321 119.600 0.140 0.000 2.241 19 M HA 0.120 4.601 4.480 0.002 0.000 0.335 19 M C 0.373 176.788 176.300 0.193 0.000 1.122 19 M CA -0.658 54.763 55.300 0.202 0.000 1.164 19 M CB 0.256 33.012 32.600 0.259 0.000 1.459 19 M HN 0.338 8.629 8.290 -0.000 0.000 0.461 20 Y N 5.129 125.483 120.300 0.089 0.000 2.852 20 Y HA -0.007 4.544 4.550 0.002 0.000 0.343 20 Y C -1.494 174.401 175.900 -0.008 0.000 1.280 20 Y CA -0.909 57.199 58.100 0.014 0.000 1.604 20 Y CB 0.189 38.654 38.460 0.007 0.000 1.216 20 Y HN 0.386 8.666 8.280 -0.000 0.000 0.541 21 P HA 0.271 4.691 4.420 -0.000 0.000 0.257 21 P C -0.010 176.958 177.300 -0.554 0.000 1.281 21 P CA 0.942 63.848 63.100 -0.324 0.000 0.826 21 P CB 0.103 31.686 31.700 -0.196 0.000 1.237 22 G N 1.207 109.175 108.800 -1.386 0.000 2.570 22 G HA2 -0.037 3.924 3.960 0.002 0.000 0.686 22 G HA3 -0.037 3.924 3.960 0.002 0.000 0.686 22 G C -3.366 170.823 174.900 -1.185 0.000 1.257 22 G CA -0.929 43.311 45.100 -1.434 0.000 0.846 22 G HN -0.002 8.288 8.290 -0.000 0.000 0.627 23 P HA 0.519 4.939 4.420 -0.000 0.000 0.276 23 P C 0.236 177.384 177.300 -0.253 0.000 1.244 23 P CA 0.253 63.091 63.100 -0.437 0.000 0.801 23 P CB 1.354 32.770 31.700 -0.473 0.000 1.006 24 T N -2.413 112.065 114.554 -0.127 0.000 2.831 24 T HA 0.402 4.753 4.350 0.002 0.000 0.287 24 T C 1.045 175.740 174.700 -0.008 0.000 1.070 24 T CA -0.833 61.246 62.100 -0.035 0.000 1.010 24 T CB 1.478 70.321 68.868 -0.041 0.000 1.264 24 T HN 0.149 8.389 8.240 -0.000 0.000 0.532 25 K N 0.122 120.532 120.400 0.016 0.000 2.097 25 K HA -0.067 4.254 4.320 0.002 0.000 0.206 25 K C 1.335 177.903 176.600 -0.054 0.000 1.049 25 K CA 1.551 57.835 56.287 -0.006 0.000 0.933 25 K CB -0.108 32.390 32.500 -0.003 0.000 0.717 25 K HN 0.523 8.773 8.250 -0.000 0.000 0.442 26 D N 0.474 120.849 120.400 -0.043 0.000 2.347 26 D HA -0.085 4.556 4.640 0.002 0.000 0.215 26 D C -0.024 176.254 176.300 -0.038 0.000 0.976 26 D CA 1.002 54.974 54.000 -0.047 0.000 0.884 26 D CB 0.150 40.928 40.800 -0.035 0.000 0.915 26 D HN 0.146 8.516 8.370 -0.000 0.000 0.526 27 D N 0.271 120.652 120.400 -0.032 0.000 2.735 27 D HA 0.138 4.779 4.640 0.002 0.000 0.291 27 D C -2.630 173.657 176.300 -0.022 0.000 1.205 27 D CA -1.805 52.184 54.000 -0.019 0.000 0.777 27 D CB 1.199 41.998 40.800 -0.001 0.000 1.234 27 D HN -0.118 8.252 8.370 -0.000 0.000 0.520 28 P HA 0.275 4.695 4.420 -0.000 0.000 0.274 28 P C -0.793 176.493 177.300 -0.024 0.000 1.246 28 P CA -0.738 62.349 63.100 -0.022 0.000 0.795 28 P CB 1.375 33.079 31.700 0.007 0.000 1.006 29 L N 0.521 121.722 121.223 -0.037 0.000 2.410 29 L HA 0.453 4.794 4.340 0.002 0.000 0.270 29 L C -0.582 176.300 176.870 0.020 0.000 0.983 29 L CA -0.119 54.705 54.840 -0.027 0.000 0.822 29 L CB 1.942 43.945 42.059 -0.093 0.000 1.285 29 L HN 0.219 8.449 8.230 -0.000 0.000 0.409 30 T N 4.226 118.809 114.554 0.049 0.000 2.780 30 T HA 0.537 4.888 4.350 0.002 0.000 0.294 30 T C -0.499 174.281 174.700 0.134 0.000 0.949 30 T CA -0.191 61.954 62.100 0.075 0.000 1.074 30 T CB 0.832 69.735 68.868 0.058 0.000 0.910 30 T HN 0.378 8.618 8.240 -0.000 0.000 0.501 31 V N 4.473 124.467 119.914 0.134 0.000 2.409 31 V HA 0.383 4.504 4.120 0.002 0.000 0.291 31 V C 0.361 176.532 176.094 0.128 0.000 1.020 31 V CA -0.819 61.591 62.300 0.184 0.000 0.848 31 V CB 1.868 33.790 31.823 0.165 0.000 0.990 31 V HN 0.924 9.114 8.190 -0.000 0.000 0.430 32 T N 6.388 121.018 114.554 0.126 0.000 2.799 32 T HA 0.663 5.014 4.350 0.002 0.000 0.286 32 T C -0.609 174.106 174.700 0.026 0.000 0.973 32 T CA -0.228 61.909 62.100 0.061 0.000 1.035 32 T CB 1.356 70.247 68.868 0.039 0.000 0.932 32 T HN 0.385 8.625 8.240 -0.000 0.000 0.469 33 L N 2.596 123.798 121.223 -0.036 0.000 2.386 33 L HA 0.875 5.216 4.340 0.002 0.000 0.271 33 L C -0.201 176.525 176.870 -0.241 0.000 0.993 33 L CA 0.026 54.768 54.840 -0.164 0.000 0.819 33 L CB 1.757 43.717 42.059 -0.165 0.000 1.294 33 L HN 0.811 9.041 8.230 -0.000 0.000 0.414 34 G N 2.730 111.273 108.800 -0.430 0.000 2.718 34 G HA2 0.604 4.565 3.960 0.002 0.000 0.295 34 G HA3 0.604 4.565 3.960 0.002 0.000 0.295 34 G C -2.018 172.537 174.900 -0.575 0.000 1.421 34 G CA -0.448 44.441 45.100 -0.353 0.000 0.902 34 G HN 0.324 8.614 8.290 -0.000 0.000 0.501 35 F N 0.205 120.083 119.950 -0.120 0.000 2.508 35 F HA 0.607 5.135 4.527 0.002 0.000 0.325 35 F C 0.434 176.204 175.800 -0.050 0.000 1.090 35 F CA -0.696 57.228 58.000 -0.126 0.000 0.945 35 F CB 3.061 41.894 39.000 -0.277 0.000 1.156 35 F HN 0.244 8.544 8.300 -0.000 0.000 0.463 36 T N 4.291 118.949 114.554 0.174 0.000 2.788 36 T HA 0.350 4.701 4.350 0.002 0.000 0.296 36 T C -0.846 173.885 174.700 0.051 0.000 1.009 36 T CA -0.398 61.747 62.100 0.075 0.000 0.949 36 T CB 0.749 69.632 68.868 0.025 0.000 0.946 36 T HN 0.314 8.554 8.240 -0.000 0.000 0.453 37 L N 3.990 125.262 121.223 0.081 0.000 2.315 37 L HA 0.333 4.674 4.340 0.002 0.000 0.283 37 L C 1.224 178.183 176.870 0.148 0.000 1.089 37 L CA 0.458 55.381 54.840 0.139 0.000 0.833 37 L CB 0.757 42.904 42.059 0.146 0.000 1.170 37 L HN 0.657 8.887 8.230 -0.000 0.000 0.442 38 Q N 1.748 121.550 119.800 0.004 0.000 2.200 38 Q HA 0.106 4.447 4.340 0.002 0.000 0.197 38 Q C -0.456 175.350 176.000 -0.324 0.000 0.953 38 Q CA 0.666 56.370 55.803 -0.166 0.000 0.851 38 Q CB 0.679 29.252 28.738 -0.276 0.000 0.938 38 Q HN 0.751 9.021 8.270 -0.000 0.000 0.488 39 D N -1.272 119.029 120.400 -0.165 0.000 2.745 39 D HA 0.265 4.906 4.640 0.002 0.000 0.221 39 D C -1.599 174.748 176.300 0.078 0.000 1.237 39 D CA -0.381 53.483 54.000 -0.227 0.000 0.781 39 D CB 1.362 42.061 40.800 -0.169 0.000 1.575 39 D HN -0.016 8.354 8.370 -0.000 0.000 0.482 40 I N 3.861 124.550 120.570 0.198 0.000 2.291 40 I HA 0.166 4.337 4.170 0.002 0.000 0.290 40 I C 1.342 177.563 176.117 0.172 0.000 1.050 40 I CA -0.550 60.815 61.300 0.109 0.000 1.245 40 I CB 1.485 39.458 38.000 -0.044 0.000 1.405 40 I HN 0.279 8.489 8.210 -0.000 0.000 0.478 41 V N 4.860 124.836 119.914 0.103 0.000 2.379 41 V HA 0.040 4.161 4.120 0.002 0.000 0.243 41 V C 0.884 177.088 176.094 0.183 0.000 1.035 41 V CA 1.130 63.508 62.300 0.129 0.000 1.035 41 V CB -0.369 31.491 31.823 0.062 0.000 0.673 41 V HN 0.635 8.825 8.190 -0.000 0.000 0.457 42 K N -0.102 120.359 120.400 0.101 0.000 2.501 42 K HA 0.682 5.003 4.320 0.002 0.000 0.252 42 K C -1.600 174.986 176.600 -0.023 0.000 0.934 42 K CA -0.381 55.968 56.287 0.103 0.000 0.797 42 K CB 2.346 34.879 32.500 0.056 0.000 1.270 42 K HN 0.227 8.477 8.250 -0.000 0.000 0.431 43 A N 3.080 125.910 122.820 0.016 0.000 2.285 43 A HA 0.292 4.613 4.320 0.002 0.000 0.310 43 A C -1.271 176.328 177.584 0.025 0.000 1.266 43 A CA -0.556 51.452 52.037 -0.049 0.000 0.832 43 A CB 0.840 19.787 19.000 -0.089 0.000 1.163 43 A HN 0.627 8.777 8.150 -0.000 0.000 0.499 44 D N 2.510 122.899 120.400 -0.019 0.000 2.427 44 D HA 0.285 4.926 4.640 0.002 0.000 0.226 44 D C 1.166 177.458 176.300 -0.014 0.000 1.076 44 D CA 0.275 54.272 54.000 -0.005 0.000 0.849 44 D CB 1.319 42.109 40.800 -0.016 0.000 1.052 44 D HN 0.403 8.773 8.370 -0.000 0.000 0.515 45 S N 1.312 117.016 115.700 0.006 0.000 2.558 45 S HA -0.088 4.383 4.470 0.002 0.000 0.217 45 S C 1.659 176.256 174.600 -0.004 0.000 0.975 45 S CA 0.545 58.745 58.200 -0.000 0.000 0.912 45 S CB -0.069 63.139 63.200 0.012 0.000 0.776 45 S HN 0.321 8.631 8.310 -0.000 0.000 0.526 46 S N 1.590 117.289 115.700 -0.002 0.000 2.496 46 S HA -0.015 4.456 4.470 0.002 0.000 0.224 46 S C 1.647 176.242 174.600 -0.009 0.000 0.996 46 S CA 0.831 59.029 58.200 -0.003 0.000 0.927 46 S CB -0.654 62.547 63.200 0.001 0.000 0.774 46 S HN 0.726 9.036 8.310 -0.000 0.000 0.524 47 T N -2.421 112.123 114.554 -0.016 0.000 3.004 47 T HA 0.293 4.644 4.350 0.002 0.000 0.266 47 T C 0.103 174.781 174.700 -0.036 0.000 0.986 47 T CA -0.166 61.921 62.100 -0.023 0.000 0.902 47 T CB -0.400 68.454 68.868 -0.023 0.000 1.118 47 T HN 0.219 8.459 8.240 -0.000 0.000 0.522 48 N N 2.201 120.875 118.700 -0.042 0.000 2.708 48 N HA -0.122 4.619 4.740 0.002 0.000 0.255 48 N C -0.997 174.445 175.510 -0.113 0.000 1.046 48 N CA 0.831 53.843 53.050 -0.064 0.000 0.715 48 N CB -1.259 37.200 38.487 -0.046 0.000 0.895 48 N HN 0.769 9.149 8.380 -0.000 0.000 0.545 49 E N -0.743 119.376 120.200 -0.134 0.000 2.266 49 E HA 0.668 5.019 4.350 0.002 0.000 0.268 49 E C -0.561 175.879 176.600 -0.266 0.000 0.879 49 E CA -0.902 55.371 56.400 -0.211 0.000 0.762 49 E CB 2.352 31.976 29.700 -0.127 0.000 1.199 49 E HN -0.031 8.329 8.360 -0.000 0.000 0.422 50 V N 2.058 121.684 119.914 -0.481 0.000 2.680 50 V HA 0.319 4.440 4.120 0.002 0.000 0.309 50 V C -1.037 174.916 176.094 -0.236 0.000 1.052 50 V CA -0.941 61.117 62.300 -0.404 0.000 0.908 50 V CB 2.154 33.673 31.823 -0.507 0.000 1.001 50 V HN 0.632 8.822 8.190 -0.000 0.000 0.431 51 D N 3.842 124.195 120.400 -0.078 0.000 2.256 51 D HA 0.667 5.308 4.640 0.002 0.000 0.240 51 D C -0.604 175.750 176.300 0.090 0.000 1.062 51 D CA -0.060 53.968 54.000 0.045 0.000 0.832 51 D CB 1.745 42.562 40.800 0.029 0.000 1.135 51 D HN 0.287 8.657 8.370 -0.000 0.000 0.484 52 L N 1.060 122.402 121.223 0.198 0.000 2.342 52 L HA 0.661 5.002 4.340 0.002 0.000 0.271 52 L C -0.482 176.488 176.870 0.167 0.000 1.008 52 L CA -1.263 53.703 54.840 0.211 0.000 0.818 52 L CB 2.013 44.268 42.059 0.327 0.000 1.296 52 L HN -0.012 8.218 8.230 -0.000 0.000 0.427 53 V N 2.017 121.996 119.914 0.108 0.000 2.495 53 V HA 0.562 4.683 4.120 0.002 0.000 0.298 53 V C -1.010 175.124 176.094 0.067 0.000 1.031 53 V CA -0.533 61.760 62.300 -0.011 0.000 0.871 53 V CB 1.437 33.227 31.823 -0.055 0.000 0.988 53 V HN 0.699 8.889 8.190 -0.000 0.000 0.432 54 Y N 2.990 123.303 120.300 0.022 0.000 2.670 54 Y HA 0.779 5.330 4.550 0.001 0.000 0.334 54 Y C -1.944 174.037 175.900 0.135 0.000 1.185 54 Y CA -1.810 56.288 58.100 -0.004 0.000 1.053 54 Y CB 1.221 39.726 38.460 0.074 0.000 1.298 54 Y HN 0.410 8.690 8.280 -0.000 0.000 0.459 55 Y N 0.969 121.410 120.300 0.236 0.000 2.328 55 Y HA 0.414 4.965 4.550 0.001 0.000 0.337 55 Y C -0.050 175.947 175.900 0.163 0.000 1.008 55 Y CA -1.883 56.272 58.100 0.090 0.000 1.129 55 Y CB 1.605 40.069 38.460 0.007 0.000 1.185 55 Y HN 0.725 9.005 8.280 -0.000 0.000 0.476 56 E N 3.581 123.907 120.200 0.210 0.000 2.035 56 E HA 0.150 4.501 4.350 0.002 0.000 0.271 56 E C -0.847 175.614 176.600 -0.232 0.000 0.953 56 E CA -0.549 55.789 56.400 -0.103 0.000 0.777 56 E CB 0.673 30.384 29.700 0.018 0.000 1.104 56 E HN 0.716 9.076 8.360 -0.000 0.000 0.408 57 Q N 4.022 123.651 119.800 -0.285 0.000 2.294 57 Q HA 0.121 4.462 4.340 0.002 0.000 0.257 57 Q C -0.978 174.931 176.000 -0.153 0.000 0.955 57 Q CA -0.094 55.600 55.803 -0.181 0.000 0.936 57 Q CB 0.851 29.514 28.738 -0.125 0.000 1.188 57 Q HN 0.539 8.809 8.270 -0.000 0.000 0.420 58 Q N 3.443 123.237 119.800 -0.010 0.000 2.340 58 Q HA 0.535 4.876 4.340 0.002 0.000 0.268 58 Q C -1.207 174.944 176.000 0.251 0.000 1.031 58 Q CA -0.646 55.263 55.803 0.176 0.000 0.804 58 Q CB 2.686 31.645 28.738 0.369 0.000 1.286 58 Q HN 0.480 8.750 8.270 -0.000 0.000 0.448 59 R N 2.320 122.984 120.500 0.273 0.000 2.604 59 R HA 0.615 4.956 4.340 0.002 0.000 0.281 59 R C -2.003 174.502 176.300 0.342 0.000 1.020 59 R CA -0.458 55.721 56.100 0.132 0.000 0.899 59 R CB 1.400 31.700 30.300 -0.001 0.000 1.205 59 R HN 0.757 9.027 8.270 -0.000 0.000 0.450 60 W N 2.075 123.392 121.300 0.028 0.000 3.025 60 W HA 0.555 5.216 4.660 0.002 0.000 0.343 60 W C -1.914 174.585 176.519 -0.034 0.000 1.246 60 W CA -1.046 56.309 57.345 0.017 0.000 1.178 60 W CB 1.070 30.581 29.460 0.087 0.000 1.463 60 W HN 0.326 8.506 8.180 -0.000 0.000 0.578 61 K N 2.062 122.516 120.400 0.091 0.000 2.471 61 K HA 0.634 4.955 4.320 0.002 0.000 0.252 61 K C -1.847 174.723 176.600 -0.050 0.000 0.938 61 K CA -0.682 55.566 56.287 -0.065 0.000 0.796 61 K CB 1.569 34.025 32.500 -0.074 0.000 1.161 61 K HN 0.748 8.998 8.250 -0.000 0.000 0.425 62 L N 3.953 125.114 121.223 -0.103 0.000 2.385 62 L HA 0.320 4.661 4.340 0.002 0.000 0.273 62 L C 0.912 177.725 176.870 -0.095 0.000 0.990 62 L CA -0.914 53.834 54.840 -0.154 0.000 0.821 62 L CB 1.765 43.697 42.059 -0.211 0.000 1.279 62 L HN 0.674 8.904 8.230 -0.000 0.000 0.412 63 N N 0.732 119.385 118.700 -0.077 0.000 2.149 63 N HA -0.158 4.583 4.740 0.002 0.000 0.188 63 N C 1.753 177.269 175.510 0.010 0.000 1.019 63 N CA 1.669 54.702 53.050 -0.028 0.000 0.857 63 N CB 0.052 38.532 38.487 -0.012 0.000 0.997 63 N HN 0.722 9.102 8.380 -0.000 0.000 0.426 64 S N -0.259 115.452 115.700 0.017 0.000 2.603 64 S HA 0.047 4.518 4.470 0.002 0.000 0.229 64 S C 1.416 176.061 174.600 0.075 0.000 0.972 64 S CA 0.374 58.611 58.200 0.062 0.000 0.935 64 S CB -0.208 63.055 63.200 0.106 0.000 0.769 64 S HN 0.260 8.570 8.310 -0.000 0.000 0.536 65 L N 0.166 121.431 121.223 0.070 0.000 2.959 65 L HA 0.446 4.787 4.340 0.002 0.000 0.259 65 L C 0.356 177.351 176.870 0.210 0.000 1.185 65 L CA -0.208 54.714 54.840 0.137 0.000 0.998 65 L CB 0.046 42.173 42.059 0.114 0.000 1.337 65 L HN 0.260 8.490 8.230 -0.000 0.000 0.555 66 M N 0.492 120.165 119.600 0.122 0.000 2.250 66 M HA 0.275 4.756 4.480 0.002 0.000 0.344 66 M C -0.829 175.643 176.300 0.286 0.000 1.150 66 M CA 0.071 55.416 55.300 0.074 0.000 1.147 66 M CB 0.926 33.523 32.600 -0.005 0.000 1.498 66 M HN 0.143 8.433 8.290 -0.000 0.000 0.461 67 W N 0.970 122.324 121.300 0.089 0.000 3.248 67 W HA 0.499 5.160 4.660 0.001 0.000 0.311 67 W C -1.939 174.679 176.519 0.165 0.000 1.258 67 W CA -1.021 56.407 57.345 0.137 0.000 1.191 67 W CB 0.446 29.990 29.460 0.139 0.000 1.389 67 W HN 0.421 8.601 8.180 -0.000 0.000 0.561 68 D N 2.764 123.358 120.400 0.323 0.000 2.277 68 D HA 0.347 4.988 4.640 0.002 0.000 0.249 68 D C -1.494 175.000 176.300 0.324 0.000 1.134 68 D CA -2.411 51.694 54.000 0.174 0.000 0.863 68 D CB 2.112 42.986 40.800 0.122 0.000 1.143 68 D HN 0.091 8.461 8.370 -0.000 0.000 0.458 69 P HA -0.108 4.312 4.420 -0.000 0.000 0.218 69 P C 0.881 178.283 177.300 0.170 0.000 1.148 69 P CA 0.807 64.041 63.100 0.223 0.000 0.822 69 P CB 0.244 31.905 31.700 -0.065 0.000 0.784 70 N N -0.489 118.254 118.700 0.072 0.000 2.348 70 N HA -0.144 4.597 4.740 0.002 0.000 0.185 70 N C 1.351 176.855 175.510 -0.010 0.000 1.019 70 N CA 0.947 54.011 53.050 0.023 0.000 0.880 70 N CB -0.323 38.162 38.487 -0.003 0.000 0.965 70 N HN 0.310 8.690 8.380 -0.000 0.000 0.437 71 E N -0.294 119.907 120.200 0.001 0.000 2.285 71 E HA -0.042 4.309 4.350 0.002 0.000 0.194 71 E C -0.037 176.244 176.600 -0.532 0.000 0.997 71 E CA 0.599 56.857 56.400 -0.237 0.000 0.845 71 E CB 0.086 29.652 29.700 -0.222 0.000 0.782 71 E HN 0.464 8.824 8.360 -0.000 0.000 0.491 72 Y N -0.074 120.258 120.300 0.053 0.000 2.473 72 Y HA 0.350 4.901 4.550 0.001 0.000 0.345 72 Y C 0.914 176.819 175.900 0.008 0.000 0.932 72 Y CA -0.361 57.733 58.100 -0.009 0.000 1.124 72 Y CB 1.104 39.495 38.460 -0.115 0.000 1.162 72 Y HN 0.009 8.289 8.280 -0.000 0.000 0.629 73 G N 1.713 110.553 108.800 0.067 0.000 2.379 73 G HA2 -0.399 3.562 3.960 0.002 0.000 0.297 73 G HA3 -0.399 3.562 3.960 0.002 0.000 0.297 73 G C 0.519 175.457 174.900 0.062 0.000 1.004 73 G CA 0.820 45.943 45.100 0.038 0.000 0.921 73 G HN 0.701 8.991 8.290 -0.000 0.000 0.511 74 N N -2.383 116.370 118.700 0.087 0.000 2.800 74 N HA -0.181 4.560 4.740 0.002 0.000 0.250 74 N C 0.608 176.194 175.510 0.126 0.000 1.078 74 N CA 1.452 54.550 53.050 0.081 0.000 0.804 74 N CB -1.305 37.201 38.487 0.031 0.000 1.135 74 N HN 0.752 9.132 8.380 -0.000 0.000 0.565 75 I N 1.274 121.966 120.570 0.204 0.000 2.533 75 I HA -0.025 4.146 4.170 0.002 0.000 0.284 75 I C 1.863 178.270 176.117 0.484 0.000 1.109 75 I CA 0.683 62.145 61.300 0.269 0.000 1.412 75 I CB 0.805 38.917 38.000 0.187 0.000 1.396 75 I HN 0.185 8.395 8.210 -0.000 0.000 0.543 76 T N 0.395 115.173 114.554 0.374 0.000 2.990 76 T HA 0.159 4.510 4.350 0.002 0.000 0.249 76 T C 0.137 175.131 174.700 0.490 0.000 1.039 76 T CA -0.220 62.068 62.100 0.312 0.000 1.036 76 T CB 0.120 69.052 68.868 0.106 0.000 0.994 76 T HN 0.692 8.932 8.240 -0.000 0.000 0.489 77 D N 0.451 121.157 120.400 0.509 0.000 2.599 77 D HA 0.492 5.133 4.640 0.002 0.000 0.252 77 D C -1.028 175.523 176.300 0.418 0.000 1.232 77 D CA -0.834 53.424 54.000 0.429 0.000 0.819 77 D CB 1.836 42.734 40.800 0.163 0.000 1.401 77 D HN 0.355 8.725 8.370 -0.000 0.000 0.429 78 F N -2.083 117.995 119.950 0.213 0.000 2.869 78 F HA 0.772 5.300 4.527 0.002 0.000 0.325 78 F C -1.346 174.508 175.800 0.091 0.000 1.184 78 F CA -1.171 56.885 58.000 0.094 0.000 0.951 78 F CB 1.190 40.192 39.000 0.003 0.000 1.421 78 F HN 0.108 8.408 8.300 -0.000 0.000 0.501 79 R N 0.434 121.145 120.500 0.352 0.000 2.803 79 R HA 0.724 5.065 4.340 0.002 0.000 0.276 79 R C -1.314 175.195 176.300 0.347 0.000 0.978 79 R CA -0.769 55.451 56.100 0.201 0.000 0.939 79 R CB 1.446 31.822 30.300 0.127 0.000 1.179 79 R HN 0.929 9.199 8.270 -0.000 0.000 0.472 80 T N -0.897 113.780 114.554 0.205 0.000 3.041 80 T HA 0.186 4.537 4.350 0.002 0.000 0.321 80 T C -0.730 174.000 174.700 0.049 0.000 1.184 80 T CA -0.404 61.801 62.100 0.175 0.000 1.050 80 T CB 1.280 70.331 68.868 0.305 0.000 1.159 80 T HN 0.549 8.789 8.240 -0.000 0.000 0.469 81 S N 3.041 118.741 115.700 -0.000 0.000 2.563 81 S HA 0.314 4.785 4.470 0.002 0.000 0.294 81 S C 1.774 176.328 174.600 -0.077 0.000 1.279 81 S CA 0.267 58.450 58.200 -0.027 0.000 1.069 81 S CB 0.068 63.244 63.200 -0.041 0.000 0.828 81 S HN 1.057 9.367 8.310 -0.000 0.000 0.497 82 A N 4.789 127.536 122.820 -0.121 0.000 2.125 82 A HA 0.125 4.446 4.320 0.002 0.000 0.219 82 A C 2.285 179.758 177.584 -0.185 0.000 1.156 82 A CA 1.604 53.474 52.037 -0.278 0.000 0.671 82 A CB -1.054 17.596 19.000 -0.583 0.000 0.794 82 A HN 1.267 9.417 8.150 -0.000 0.000 0.459 83 A N -0.309 122.445 122.820 -0.110 0.000 2.066 83 A HA -0.057 4.264 4.320 0.002 0.000 0.218 83 A C 1.439 178.977 177.584 -0.077 0.000 1.157 83 A CA 1.474 53.461 52.037 -0.082 0.000 0.670 83 A CB -0.231 18.736 19.000 -0.055 0.000 0.804 83 A HN 0.409 8.559 8.150 -0.000 0.000 0.453 84 D N -0.403 119.933 120.400 -0.107 0.000 2.349 84 D HA 0.164 4.805 4.640 0.002 0.000 0.215 84 D C 0.665 176.900 176.300 -0.108 0.000 1.016 84 D CA 0.431 54.337 54.000 -0.157 0.000 0.870 84 D CB 0.085 40.702 40.800 -0.306 0.000 0.917 84 D HN 0.711 9.081 8.370 -0.000 0.000 0.524 85 I N -4.286 116.284 120.570 0.000 0.000 2.892 85 I HA 0.475 4.646 4.170 0.002 0.000 0.306 85 I C -0.520 175.728 176.117 0.218 0.000 1.078 85 I CA -1.528 59.883 61.300 0.185 0.000 1.032 85 I CB 1.734 39.907 38.000 0.288 0.000 1.229 85 I HN -0.251 7.959 8.210 -0.000 0.000 0.435 86 W N 4.781 126.187 121.300 0.178 0.000 2.295 86 W HA 0.388 5.049 4.660 0.002 0.000 0.335 86 W C -0.192 176.375 176.519 0.081 0.000 1.351 86 W CA 0.870 58.299 57.345 0.140 0.000 1.273 86 W CB 0.685 30.291 29.460 0.243 0.000 1.214 86 W HN 0.780 8.960 8.180 -0.000 0.000 0.563 87 T N 4.925 118.941 114.554 -0.896 0.000 2.916 87 T HA 0.569 4.920 4.350 0.002 0.000 0.292 87 T C -2.623 170.917 174.700 -1.933 0.000 1.055 87 T CA -2.246 59.171 62.100 -1.138 0.000 1.009 87 T CB 1.726 70.257 68.868 -0.561 0.000 1.118 87 T HN 0.300 8.540 8.240 -0.000 0.000 0.497 88 P HA 0.213 4.633 4.420 -0.000 0.000 0.275 88 P C -0.384 176.703 177.300 -0.354 0.000 1.227 88 P CA -0.189 62.381 63.100 -0.883 0.000 0.781 88 P CB 0.508 31.945 31.700 -0.439 0.000 0.906 89 D N 3.028 123.383 120.400 -0.075 0.000 2.994 89 D HA 0.051 4.692 4.640 0.002 0.000 0.240 89 D C 0.179 176.583 176.300 0.173 0.000 1.195 89 D CA -0.247 53.792 54.000 0.065 0.000 0.957 89 D CB -0.557 40.340 40.800 0.163 0.000 1.105 89 D HN 0.107 8.477 8.370 -0.000 0.000 0.477 90 I N 1.340 121.991 120.570 0.135 0.000 2.452 90 I HA 0.121 4.292 4.170 0.002 0.000 0.287 90 I C 0.477 176.741 176.117 0.245 0.000 1.079 90 I CA 0.101 61.523 61.300 0.205 0.000 1.387 90 I CB 0.289 38.388 38.000 0.164 0.000 1.404 90 I HN 0.003 8.213 8.210 -0.000 0.000 0.522 91 T N 4.828 119.557 114.554 0.292 0.000 2.893 91 T HA 0.616 4.967 4.350 0.002 0.000 0.291 91 T C 0.142 174.934 174.700 0.153 0.000 1.028 91 T CA -0.633 61.613 62.100 0.244 0.000 0.995 91 T CB 2.063 71.096 68.868 0.275 0.000 1.051 91 T HN 0.682 8.922 8.240 -0.000 0.000 0.470 92 A N 1.521 124.345 122.820 0.007 0.000 2.450 92 A HA 0.382 4.703 4.320 0.002 0.000 0.255 92 A C 0.312 177.876 177.584 -0.033 0.000 1.096 92 A CA -0.159 51.616 52.037 -0.436 0.000 0.778 92 A CB -0.178 18.566 19.000 -0.426 0.000 1.031 92 A HN 0.888 9.038 8.150 -0.000 0.000 0.494 93 Y N 1.614 121.807 120.300 -0.178 0.000 2.561 93 Y HA -0.002 4.549 4.550 0.002 0.000 0.291 93 Y C 1.913 177.821 175.900 0.014 0.000 1.141 93 Y CA 0.965 59.080 58.100 0.025 0.000 1.303 93 Y CB -0.092 38.389 38.460 0.036 0.000 1.015 93 Y HN 0.753 9.033 8.280 -0.000 0.000 0.547 94 S N -1.828 113.927 115.700 0.091 0.000 3.021 94 S HA 0.188 4.659 4.470 0.002 0.000 0.252 94 S C 0.304 174.969 174.600 0.109 0.000 0.996 94 S CA -0.381 57.877 58.200 0.098 0.000 1.084 94 S CB -0.623 62.643 63.200 0.110 0.000 1.021 94 S HN 0.157 8.467 8.310 -0.000 0.000 0.566 95 S N 1.620 117.364 115.700 0.072 0.000 2.576 95 S HA 0.323 4.794 4.470 0.002 0.000 0.272 95 S C 1.003 175.643 174.600 0.066 0.000 1.352 95 S CA 0.482 58.739 58.200 0.095 0.000 1.021 95 S CB 0.752 63.989 63.200 0.061 0.000 0.887 95 S HN 0.673 8.983 8.310 -0.000 0.000 0.542 96 T N -1.182 113.407 114.554 0.059 0.000 3.004 96 T HA 0.387 4.738 4.350 0.002 0.000 0.266 96 T C 0.345 175.054 174.700 0.016 0.000 0.986 96 T CA -0.534 61.583 62.100 0.027 0.000 0.902 96 T CB -0.088 68.787 68.868 0.012 0.000 1.118 96 T HN 0.695 8.935 8.240 -0.000 0.000 0.522 97 R N 1.045 121.560 120.500 0.024 0.000 2.740 97 R HA 0.582 4.923 4.340 0.002 0.000 0.273 97 R C -3.204 173.104 176.300 0.013 0.000 0.998 97 R CA -2.195 53.913 56.100 0.014 0.000 0.900 97 R CB 1.032 31.342 30.300 0.017 0.000 1.223 97 R HN 0.011 8.281 8.270 -0.000 0.000 0.466 98 P HA 0.004 4.424 4.420 -0.000 0.000 0.264 98 P C -0.455 176.853 177.300 0.014 0.000 1.193 98 P CA -0.209 62.888 63.100 -0.006 0.000 0.763 98 P CB 0.444 32.135 31.700 -0.015 0.000 0.810 99 V N 4.307 124.237 119.914 0.027 0.000 2.673 99 V HA -0.059 4.062 4.120 0.002 0.000 0.303 99 V C 0.791 176.894 176.094 0.016 0.000 1.046 99 V CA 0.450 62.778 62.300 0.046 0.000 1.126 99 V CB -0.184 31.691 31.823 0.087 0.000 0.934 99 V HN 0.507 8.697 8.190 -0.000 0.000 0.487 100 Q N 2.875 122.676 119.800 0.000 0.000 2.314 100 Q HA 0.443 4.784 4.340 0.002 0.000 0.259 100 Q C -0.876 175.101 176.000 -0.037 0.000 0.951 100 Q CA -0.566 55.228 55.803 -0.016 0.000 0.909 100 Q CB 2.025 30.754 28.738 -0.016 0.000 1.236 100 Q HN 0.634 8.904 8.270 -0.000 0.000 0.444 101 V N 5.020 124.918 119.914 -0.027 0.000 2.530 101 V HA 0.071 4.192 4.120 0.002 0.000 0.282 101 V C 0.886 176.955 176.094 -0.042 0.000 1.048 101 V CA 0.254 62.531 62.300 -0.038 0.000 0.997 101 V CB 0.857 32.675 31.823 -0.008 0.000 0.987 101 V HN 0.799 8.989 8.190 -0.000 0.000 0.477 102 L N 3.364 124.551 121.223 -0.061 0.000 2.609 102 L HA 0.215 4.556 4.340 0.002 0.000 0.230 102 L C 0.945 177.781 176.870 -0.057 0.000 1.087 102 L CA 0.209 55.018 54.840 -0.053 0.000 0.874 102 L CB 0.371 42.399 42.059 -0.051 0.000 1.114 102 L HN 0.749 8.979 8.230 -0.000 0.000 0.488 103 S N -0.835 114.821 115.700 -0.075 0.000 2.621 103 S HA 0.669 5.140 4.470 0.002 0.000 0.302 103 S C -2.674 171.902 174.600 -0.039 0.000 1.093 103 S CA -1.514 56.636 58.200 -0.082 0.000 1.017 103 S CB 1.266 64.374 63.200 -0.154 0.000 1.077 103 S HN -0.199 8.111 8.310 -0.000 0.000 0.517 104 P HA 0.177 4.597 4.420 -0.000 0.000 0.268 104 P C -0.625 176.718 177.300 0.071 0.000 1.205 104 P CA -0.201 62.909 63.100 0.017 0.000 0.771 104 P CB 0.230 31.937 31.700 0.011 0.000 0.858 105 Q N 2.699 122.567 119.800 0.114 0.000 3.004 105 Q HA 0.225 4.566 4.340 0.002 0.000 0.256 105 Q C -0.121 176.009 176.000 0.217 0.000 1.387 105 Q CA 0.431 56.379 55.803 0.242 0.000 0.962 105 Q CB -0.565 28.275 28.738 0.169 0.000 1.676 105 Q HN 0.501 8.771 8.270 -0.000 0.000 0.568 106 I N 0.463 121.190 120.570 0.262 0.000 2.465 106 I HA 0.539 4.710 4.170 0.002 0.000 0.291 106 I C -0.168 176.099 176.117 0.249 0.000 1.014 106 I CA -0.985 60.415 61.300 0.166 0.000 1.093 106 I CB 1.929 39.984 38.000 0.092 0.000 1.267 106 I HN 0.182 8.392 8.210 -0.000 0.000 0.431 107 A N 5.897 128.795 122.820 0.129 0.000 2.311 107 A HA 0.836 5.157 4.320 0.002 0.000 0.334 107 A C -0.674 176.907 177.584 -0.005 0.000 1.139 107 A CA -0.544 51.556 52.037 0.106 0.000 0.830 107 A CB 1.439 20.413 19.000 -0.043 0.000 1.234 107 A HN 0.438 8.588 8.150 -0.000 0.000 0.483 108 V N 1.652 121.525 119.914 -0.069 0.000 2.370 108 V HA 0.415 4.536 4.120 0.002 0.000 0.283 108 V C -0.403 175.533 176.094 -0.264 0.000 1.023 108 V CA -0.441 61.776 62.300 -0.139 0.000 0.857 108 V CB 1.196 32.961 31.823 -0.097 0.000 0.985 108 V HN 0.587 8.777 8.190 -0.000 0.000 0.443 109 V N 4.621 124.283 119.914 -0.419 0.000 2.398 109 V HA 0.565 4.686 4.120 0.002 0.000 0.286 109 V C 0.446 176.369 176.094 -0.284 0.000 1.026 109 V CA -0.376 61.632 62.300 -0.486 0.000 0.868 109 V CB 1.873 33.206 31.823 -0.816 0.000 0.982 109 V HN 1.018 9.208 8.190 -0.000 0.000 0.443 110 T N -0.272 114.138 114.554 -0.240 0.000 2.952 110 T HA 0.400 4.751 4.350 0.002 0.000 0.286 110 T C 1.092 175.377 174.700 -0.692 0.000 1.024 110 T CA -0.110 61.824 62.100 -0.276 0.000 1.029 110 T CB 1.166 69.859 68.868 -0.293 0.000 1.094 110 T HN 0.870 9.110 8.240 -0.000 0.000 0.515 111 H N 0.074 118.481 119.070 -1.105 0.000 2.456 111 H HA -0.058 4.499 4.556 0.002 0.000 0.296 111 H C 1.333 176.133 175.328 -0.880 0.000 1.079 111 H CA 1.587 56.540 56.048 -1.824 0.000 1.322 111 H CB -0.428 28.433 29.762 -1.502 0.000 1.388 111 H HN 0.670 8.950 8.280 -0.000 0.000 0.538 112 D N 0.227 120.039 120.400 -0.979 0.000 2.378 112 D HA 0.012 4.653 4.640 0.002 0.000 0.227 112 D C 1.719 177.806 176.300 -0.354 0.000 1.012 112 D CA 0.673 54.332 54.000 -0.567 0.000 0.905 112 D CB -0.643 39.842 40.800 -0.526 0.000 0.895 112 D HN 0.693 9.063 8.370 -0.000 0.000 0.532 113 G N 0.191 108.784 108.800 -0.344 0.000 2.148 113 G HA2 -0.283 3.678 3.960 0.002 0.000 0.254 113 G HA3 -0.283 3.678 3.960 0.002 0.000 0.254 113 G C 0.282 175.047 174.900 -0.225 0.000 0.981 113 G CA 0.490 45.474 45.100 -0.193 0.000 0.670 113 G HN 0.881 9.171 8.290 -0.000 0.000 0.528 114 S N -0.746 114.780 115.700 -0.289 0.000 2.537 114 S HA 0.712 5.183 4.470 0.002 0.000 0.275 114 S C 0.042 174.394 174.600 -0.413 0.000 1.272 114 S CA -0.238 57.770 58.200 -0.320 0.000 1.050 114 S CB 2.483 65.521 63.200 -0.271 0.000 0.961 114 S HN 1.043 9.353 8.310 -0.000 0.000 0.496 115 V N 4.771 124.294 119.914 -0.652 0.000 2.459 115 V HA 0.471 4.592 4.120 0.002 0.000 0.295 115 V C -0.079 175.555 176.094 -0.767 0.000 1.029 115 V CA -0.654 61.146 62.300 -0.832 0.000 0.874 115 V CB 1.448 32.432 31.823 -1.398 0.000 0.985 115 V HN 1.008 9.198 8.190 -0.000 0.000 0.438 116 M N 5.508 124.845 119.600 -0.438 0.000 2.114 116 M HA 0.550 5.031 4.480 0.002 0.000 0.332 116 M C -1.713 174.564 176.300 -0.038 0.000 1.014 116 M CA -0.449 54.717 55.300 -0.223 0.000 0.956 116 M CB 1.313 33.822 32.600 -0.153 0.000 1.551 116 M HN 0.748 9.038 8.290 -0.000 0.000 0.427 117 F N 6.462 126.329 119.950 -0.137 0.000 2.539 117 F HA 0.541 5.069 4.527 0.002 0.000 0.328 117 F C -1.241 174.557 175.800 -0.004 0.000 1.148 117 F CA -0.701 57.288 58.000 -0.018 0.000 0.940 117 F CB 0.966 40.053 39.000 0.146 0.000 1.194 117 F HN 0.438 8.738 8.300 -0.000 0.000 0.438 118 I N 8.175 128.513 120.570 -0.388 0.000 2.750 118 I HA 0.247 4.418 4.170 0.002 0.000 0.279 118 I C -2.403 173.408 176.117 -0.509 0.000 1.206 118 I CA -1.723 59.347 61.300 -0.384 0.000 1.101 118 I CB 0.686 38.551 38.000 -0.224 0.000 1.431 118 I HN 0.304 8.514 8.210 -0.000 0.000 0.551 119 P HA 0.227 4.647 4.420 -0.000 0.000 0.276 119 P C -0.241 176.908 177.300 -0.253 0.000 1.235 119 P CA -0.132 62.675 63.100 -0.489 0.000 0.772 119 P CB 1.500 32.894 31.700 -0.510 0.000 0.871 120 A N 4.194 126.888 122.820 -0.211 0.000 2.366 120 A HA 0.367 4.688 4.320 0.002 0.000 0.272 120 A C 0.066 177.558 177.584 -0.154 0.000 1.135 120 A CA -0.131 51.861 52.037 -0.074 0.000 0.804 120 A CB 0.108 19.083 19.000 -0.040 0.000 1.064 120 A HN 0.594 8.744 8.150 -0.000 0.000 0.499 121 Q N 0.744 120.360 119.800 -0.306 0.000 2.389 121 Q HA 0.452 4.793 4.340 0.002 0.000 0.277 121 Q C -0.794 174.964 176.000 -0.403 0.000 1.082 121 Q CA -0.776 54.799 55.803 -0.380 0.000 0.810 121 Q CB 2.864 31.344 28.738 -0.429 0.000 1.374 121 Q HN 0.774 9.044 8.270 -0.000 0.000 0.422 122 R N 1.997 122.383 120.500 -0.189 0.000 2.338 122 R HA 0.518 4.859 4.340 0.002 0.000 0.317 122 R C -1.655 174.648 176.300 0.005 0.000 0.968 122 R CA -0.617 55.431 56.100 -0.087 0.000 0.849 122 R CB 0.788 31.065 30.300 -0.038 0.000 1.128 122 R HN 0.515 8.785 8.270 -0.000 0.000 0.448 123 L N 2.790 124.083 121.223 0.117 0.000 2.356 123 L HA 0.422 4.763 4.340 0.002 0.000 0.277 123 L C -1.155 175.868 176.870 0.254 0.000 0.996 123 L CA -0.006 54.974 54.840 0.234 0.000 0.822 123 L CB 2.320 44.639 42.059 0.434 0.000 1.256 123 L HN 0.476 8.706 8.230 -0.000 0.000 0.413 124 S N 5.463 121.273 115.700 0.183 0.000 2.438 124 S HA 0.738 5.209 4.470 0.002 0.000 0.293 124 S C -0.709 174.013 174.600 0.203 0.000 1.141 124 S CA -0.337 57.945 58.200 0.137 0.000 1.080 124 S CB 0.250 63.478 63.200 0.048 0.000 0.978 124 S HN 0.514 8.824 8.310 -0.000 0.000 0.479 125 F N 0.356 120.305 119.950 -0.001 0.000 2.675 125 F HA 0.710 5.238 4.527 0.002 0.000 0.324 125 F C -0.897 174.895 175.800 -0.014 0.000 1.106 125 F CA -1.671 56.318 58.000 -0.018 0.000 0.970 125 F CB 1.020 39.995 39.000 -0.043 0.000 1.385 125 F HN 0.248 8.548 8.300 -0.000 0.000 0.489 126 M N 2.941 122.554 119.600 0.023 0.000 2.146 126 M HA 0.426 4.907 4.480 0.002 0.000 0.352 126 M C -0.963 175.256 176.300 -0.136 0.000 1.343 126 M CA -0.241 55.019 55.300 -0.067 0.000 1.115 126 M CB 0.812 33.438 32.600 0.043 0.000 1.657 126 M HN 0.736 9.026 8.290 -0.000 0.000 0.471 127 c N 3.599 122.056 118.600 -0.239 0.000 2.871 127 c HA 0.341 4.912 4.570 0.002 0.000 0.378 127 c C -1.406 172.624 174.090 -0.099 0.000 1.052 127 c CA -0.922 55.299 56.329 -0.181 0.000 1.250 127 c CB 1.469 43.717 42.510 -0.435 0.000 1.689 127 c HN 0.884 9.114 8.230 -0.000 0.000 0.506 128 D N 6.570 126.953 120.400 -0.029 0.000 2.380 128 D HA 0.393 5.034 4.640 0.002 0.000 0.230 128 D C -1.413 174.876 176.300 -0.019 0.000 1.154 128 D CA -1.741 52.245 54.000 -0.023 0.000 0.859 128 D CB 1.583 42.375 40.800 -0.014 0.000 1.045 128 D HN 0.545 8.915 8.370 -0.000 0.000 0.495 129 P HA 0.062 4.482 4.420 -0.000 0.000 0.255 129 P C -0.075 177.182 177.300 -0.071 0.000 1.357 129 P CA -0.233 62.847 63.100 -0.034 0.000 0.839 129 P CB -0.122 31.587 31.700 0.016 0.000 1.356 130 T N 0.896 115.417 114.554 -0.054 0.000 2.867 130 T HA 0.327 4.678 4.350 0.002 0.000 0.297 130 T C 1.443 176.098 174.700 -0.075 0.000 0.989 130 T CA 1.502 63.573 62.100 -0.049 0.000 1.159 130 T CB -0.120 68.729 68.868 -0.032 0.000 0.928 130 T HN 0.378 8.618 8.240 -0.000 0.000 0.538 131 G N 2.336 111.097 108.800 -0.065 0.000 2.159 131 G HA2 -0.261 3.700 3.960 0.002 0.000 0.227 131 G HA3 -0.261 3.700 3.960 0.002 0.000 0.227 131 G C 1.020 175.857 174.900 -0.105 0.000 0.986 131 G CA 0.124 45.179 45.100 -0.074 0.000 0.651 131 G HN 0.669 8.959 8.290 -0.000 0.000 0.523 132 V N 1.594 121.437 119.914 -0.117 0.000 2.626 132 V HA -0.017 4.104 4.120 0.002 0.000 0.252 132 V C 2.257 178.345 176.094 -0.010 0.000 1.067 132 V CA 2.807 65.030 62.300 -0.129 0.000 1.081 132 V CB -0.076 31.697 31.823 -0.084 0.000 0.686 132 V HN 0.665 8.855 8.190 -0.000 0.000 0.468 133 D N -0.607 119.795 120.400 0.002 0.000 2.349 133 D HA 0.045 4.686 4.640 0.002 0.000 0.214 133 D C 1.087 177.383 176.300 -0.007 0.000 1.063 133 D CA 0.716 54.723 54.000 0.011 0.000 0.847 133 D CB -0.069 40.742 40.800 0.018 0.000 0.933 133 D HN 0.580 8.950 8.370 -0.000 0.000 0.513 134 S N -0.583 115.104 115.700 -0.022 0.000 2.713 134 S HA 0.241 4.712 4.470 0.002 0.000 0.277 134 S C 1.060 175.646 174.600 -0.025 0.000 1.168 134 S CA -0.660 57.526 58.200 -0.023 0.000 0.994 134 S CB 2.269 65.451 63.200 -0.029 0.000 1.054 134 S HN -0.008 8.302 8.310 -0.000 0.000 0.555 135 E N -0.089 120.099 120.200 -0.021 0.000 2.152 135 E HA -0.092 4.259 4.350 0.002 0.000 0.192 135 E C 1.717 178.301 176.600 -0.026 0.000 0.983 135 E CA 0.759 57.148 56.400 -0.019 0.000 0.818 135 E CB -0.077 29.614 29.700 -0.014 0.000 0.758 135 E HN 0.786 9.146 8.360 -0.000 0.000 0.467 136 E N -0.315 119.865 120.200 -0.033 0.000 2.204 136 E HA 0.004 4.355 4.350 0.002 0.000 0.194 136 E C 0.561 177.123 176.600 -0.064 0.000 0.989 136 E CA 0.846 57.222 56.400 -0.040 0.000 0.824 136 E CB 0.135 29.812 29.700 -0.037 0.000 0.756 136 E HN 0.366 8.726 8.360 -0.000 0.000 0.477 137 G N -0.862 107.886 108.800 -0.087 0.000 2.760 137 G HA2 -0.001 3.960 3.960 0.002 0.000 0.246 137 G HA3 -0.001 3.960 3.960 0.002 0.000 0.246 137 G C -0.395 174.364 174.900 -0.235 0.000 1.359 137 G CA -0.548 44.455 45.100 -0.160 0.000 0.861 137 G HN 0.597 8.887 8.290 -0.000 0.000 0.541 138 A N -0.760 121.783 122.820 -0.462 0.000 2.325 138 A HA 0.917 5.238 4.320 0.002 0.000 0.333 138 A C 0.250 177.595 177.584 -0.399 0.000 1.155 138 A CA 0.524 52.281 52.037 -0.468 0.000 0.814 138 A CB 1.631 20.261 19.000 -0.617 0.000 1.206 138 A HN 1.546 9.696 8.150 -0.000 0.000 0.482 139 T N 1.044 115.518 114.554 -0.134 0.000 2.792 139 T HA 0.550 4.901 4.350 0.002 0.000 0.280 139 T C -0.829 173.945 174.700 0.123 0.000 0.990 139 T CA -0.136 61.979 62.100 0.024 0.000 0.960 139 T CB 0.559 69.435 68.868 0.013 0.000 0.939 139 T HN 0.731 8.971 8.240 -0.000 0.000 0.439 140 c N 2.376 121.125 118.600 0.248 0.000 2.994 140 c HA 0.979 5.550 4.570 0.002 0.000 0.304 140 c C -0.350 173.869 174.090 0.215 0.000 1.273 140 c CA -0.662 55.834 56.329 0.279 0.000 1.537 140 c CB 1.378 44.141 42.510 0.422 0.000 2.001 140 c HN 1.051 9.281 8.230 -0.000 0.000 0.471 141 A N 1.024 123.962 122.820 0.198 0.000 2.486 141 A HA 0.866 5.187 4.320 0.002 0.000 0.300 141 A C -1.530 176.037 177.584 -0.028 0.000 1.048 141 A CA -0.454 51.610 52.037 0.045 0.000 0.696 141 A CB 1.613 20.637 19.000 0.039 0.000 1.278 141 A HN 1.372 9.522 8.150 -0.000 0.000 0.405 142 V N 2.273 122.041 119.914 -0.243 0.000 2.733 142 V HA 0.554 4.675 4.120 0.002 0.000 0.306 142 V C -0.943 174.924 176.094 -0.379 0.000 1.084 142 V CA -0.692 61.378 62.300 -0.384 0.000 0.905 142 V CB 1.918 33.238 31.823 -0.837 0.000 1.010 142 V HN 0.922 9.112 8.190 -0.000 0.000 0.424 143 K N 5.483 125.684 120.400 -0.331 0.000 2.143 143 K HA 0.628 4.949 4.320 0.002 0.000 0.272 143 K C -1.459 174.734 176.600 -0.677 0.000 1.001 143 K CA -0.077 56.031 56.287 -0.299 0.000 0.915 143 K CB 1.399 33.851 32.500 -0.080 0.000 1.047 143 K HN 0.557 8.807 8.250 -0.000 0.000 0.458 144 F N 0.291 120.020 119.950 -0.368 0.000 2.520 144 F HA 0.632 5.161 4.527 0.002 0.000 0.322 144 F C 0.652 176.196 175.800 -0.426 0.000 1.103 144 F CA -0.432 57.357 58.000 -0.352 0.000 0.926 144 F CB 2.554 41.552 39.000 -0.004 0.000 1.154 144 F HN 0.625 8.925 8.300 -0.000 0.000 0.453 145 G N 0.295 108.938 108.800 -0.263 0.000 2.506 145 G HA2 0.384 4.345 3.960 0.002 0.000 0.292 145 G HA3 0.384 4.345 3.960 0.002 0.000 0.292 145 G C -1.630 173.449 174.900 0.297 0.000 1.425 145 G CA -0.896 44.217 45.100 0.022 0.000 0.788 145 G HN 0.585 8.875 8.290 -0.000 0.000 0.490 146 S N -0.507 115.409 115.700 0.361 0.000 2.560 146 S HA 0.099 4.570 4.470 0.002 0.000 0.284 146 S C 0.965 175.873 174.600 0.512 0.000 1.327 146 S CA -0.109 58.343 58.200 0.420 0.000 1.055 146 S CB 0.244 63.699 63.200 0.425 0.000 0.868 146 S HN 0.563 8.873 8.310 -0.000 0.000 0.506 147 W N 4.412 125.857 121.300 0.242 0.000 2.523 147 W HA 0.025 4.686 4.660 0.002 0.000 0.278 147 W C 1.192 177.745 176.519 0.057 0.000 1.236 147 W CA 1.305 58.742 57.345 0.153 0.000 1.306 147 W CB 0.156 29.674 29.460 0.096 0.000 1.101 147 W HN 0.705 8.886 8.180 -0.000 0.000 0.577 148 V N -3.280 116.693 119.914 0.098 0.000 3.398 148 V HA 0.291 4.412 4.120 0.002 0.000 0.298 148 V C -0.855 175.120 176.094 -0.197 0.000 1.496 148 V CA -0.234 61.985 62.300 -0.135 0.000 1.044 148 V CB -0.834 30.868 31.823 -0.202 0.000 0.880 148 V HN -0.052 8.138 8.190 -0.000 0.000 0.443 149 Y N 2.102 122.511 120.300 0.182 0.000 2.352 149 Y HA 0.755 5.306 4.550 0.002 0.000 0.339 149 Y C 0.984 176.981 175.900 0.161 0.000 0.992 149 Y CA -0.295 57.903 58.100 0.164 0.000 1.100 149 Y CB 1.933 40.498 38.460 0.176 0.000 1.192 149 Y HN 0.284 8.564 8.280 -0.000 0.000 0.458 150 S N 0.535 116.374 115.700 0.232 0.000 2.652 150 S HA 0.337 4.808 4.470 0.002 0.000 0.267 150 S C 1.444 175.991 174.600 -0.087 0.000 1.201 150 S CA -0.154 57.969 58.200 -0.128 0.000 0.996 150 S CB 0.750 63.629 63.200 -0.536 0.000 1.054 150 S HN 0.910 9.220 8.310 -0.000 0.000 0.561 151 G N -0.766 107.849 108.800 -0.308 0.000 2.650 151 G HA2 0.054 4.015 3.960 0.002 0.000 0.214 151 G HA3 0.054 4.015 3.960 0.002 0.000 0.214 151 G C 0.581 175.480 174.900 -0.002 0.000 1.136 151 G CA -0.001 45.008 45.100 -0.153 0.000 0.789 151 G HN 0.561 8.851 8.290 -0.000 0.000 0.536 152 F N 0.581 120.463 119.950 -0.114 0.000 2.710 152 F HA 0.246 4.774 4.527 0.002 0.000 0.298 152 F C 2.209 177.991 175.800 -0.031 0.000 1.137 152 F CA 0.134 58.096 58.000 -0.062 0.000 1.444 152 F CB 0.270 39.233 39.000 -0.062 0.000 1.111 152 F HN 0.220 8.520 8.300 -0.000 0.000 0.580 153 E N -0.630 119.671 120.200 0.168 0.000 2.279 153 E HA 0.257 4.608 4.350 0.002 0.000 0.199 153 E C 0.186 176.772 176.600 -0.025 0.000 0.893 153 E CA 0.375 56.815 56.400 0.067 0.000 0.978 153 E CB 0.676 30.462 29.700 0.142 0.000 0.964 153 E HN 0.043 8.403 8.360 -0.000 0.000 0.486 154 I N 1.969 122.557 120.570 0.030 0.000 2.382 154 I HA 0.175 4.346 4.170 0.002 0.000 0.285 154 I C -0.934 175.225 176.117 0.070 0.000 1.007 154 I CA -0.691 60.630 61.300 0.035 0.000 1.142 154 I CB 1.413 39.464 38.000 0.085 0.000 1.289 154 I HN -0.039 8.171 8.210 -0.000 0.000 0.453 155 D N 7.197 127.633 120.400 0.061 0.000 2.393 155 D HA 0.190 4.831 4.640 0.002 0.000 0.232 155 D C -0.651 175.691 176.300 0.070 0.000 1.192 155 D CA -0.390 53.648 54.000 0.062 0.000 0.882 155 D CB 0.762 41.597 40.800 0.058 0.000 1.038 155 D HN 0.164 8.534 8.370 -0.000 0.000 0.499 156 L N 3.978 125.247 121.223 0.077 0.000 2.360 156 L HA 0.318 4.659 4.340 0.002 0.000 0.276 156 L C 0.056 176.964 176.870 0.064 0.000 1.121 156 L CA 0.492 55.381 54.840 0.081 0.000 0.845 156 L CB 0.303 42.420 42.059 0.096 0.000 1.143 156 L HN 0.283 8.513 8.230 -0.000 0.000 0.452 157 K N 1.846 122.281 120.400 0.057 0.000 2.433 157 K HA 0.725 5.046 4.320 0.002 0.000 0.252 157 K C -0.703 175.917 176.600 0.033 0.000 1.015 157 K CA -0.802 55.511 56.287 0.044 0.000 0.860 157 K CB 2.101 34.625 32.500 0.039 0.000 1.359 157 K HN 0.666 8.916 8.250 -0.000 0.000 0.452 158 T N -2.974 111.596 114.554 0.027 0.000 2.926 158 T HA 0.330 4.681 4.350 0.002 0.000 0.289 158 T C -0.021 174.686 174.700 0.012 0.000 1.054 158 T CA -0.720 61.390 62.100 0.016 0.000 1.015 158 T CB 1.427 70.311 68.868 0.028 0.000 1.167 158 T HN 0.355 8.595 8.240 -0.000 0.000 0.526 159 D N -0.018 120.384 120.400 0.003 0.000 2.366 159 D HA 0.194 4.835 4.640 0.002 0.000 0.205 159 D C 0.528 176.832 176.300 0.007 0.000 1.022 159 D CA 0.768 54.770 54.000 0.003 0.000 0.868 159 D CB 0.914 41.711 40.800 -0.005 0.000 0.953 159 D HN 0.717 9.087 8.370 -0.000 0.000 0.514 160 T N -0.203 114.357 114.554 0.011 0.000 2.886 160 T HA 0.073 4.424 4.350 0.002 0.000 0.330 160 T C -0.875 173.839 174.700 0.023 0.000 1.488 160 T CA -0.659 61.450 62.100 0.015 0.000 1.054 160 T CB 1.701 70.577 68.868 0.013 0.000 1.348 160 T HN -0.123 8.117 8.240 -0.000 0.000 0.489 161 D N 1.790 122.203 120.400 0.022 0.000 2.339 161 D HA 0.034 4.675 4.640 0.002 0.000 0.217 161 D C -0.009 176.305 176.300 0.023 0.000 1.050 161 D CA -0.013 54.003 54.000 0.026 0.000 0.856 161 D CB 0.410 41.223 40.800 0.022 0.000 0.922 161 D HN 0.349 8.719 8.370 -0.000 0.000 0.518 162 Q N 1.307 121.119 119.800 0.021 0.000 2.314 162 Q HA 0.267 4.608 4.340 0.002 0.000 0.257 162 Q C -0.163 175.852 176.000 0.025 0.000 0.975 162 Q CA -0.543 55.270 55.803 0.017 0.000 0.933 162 Q CB 2.339 31.085 28.738 0.013 0.000 1.195 162 Q HN 0.031 8.301 8.270 -0.000 0.000 0.426 163 V N 2.655 122.582 119.914 0.022 0.000 2.740 163 V HA -0.059 4.062 4.120 0.002 0.000 0.303 163 V C 0.575 176.688 176.094 0.032 0.000 1.054 163 V CA -0.132 62.189 62.300 0.035 0.000 1.106 163 V CB 0.891 32.717 31.823 0.006 0.000 0.957 163 V HN 0.626 8.816 8.190 -0.000 0.000 0.486 164 D N 4.004 124.432 120.400 0.048 0.000 2.338 164 D HA 0.147 4.788 4.640 0.002 0.000 0.255 164 D C 0.503 176.832 176.300 0.049 0.000 1.237 164 D CA 0.226 54.252 54.000 0.044 0.000 0.883 164 D CB 0.807 41.636 40.800 0.049 0.000 1.087 164 D HN 0.455 8.825 8.370 -0.000 0.000 0.485 165 L N 2.758 124.007 121.223 0.043 0.000 2.728 165 L HA 0.018 4.359 4.340 0.002 0.000 0.238 165 L C 2.104 179.028 176.870 0.090 0.000 1.143 165 L CA -0.077 54.802 54.840 0.064 0.000 0.937 165 L CB 0.035 42.098 42.059 0.006 0.000 1.225 165 L HN 0.307 8.537 8.230 -0.000 0.000 0.507 166 S N -0.937 114.803 115.700 0.066 0.000 2.447 166 S HA -0.092 4.379 4.470 0.002 0.000 0.233 166 S C 1.353 175.997 174.600 0.074 0.000 1.006 166 S CA 0.825 59.063 58.200 0.064 0.000 0.957 166 S CB -0.216 63.013 63.200 0.049 0.000 0.773 166 S HN 0.433 8.743 8.310 -0.000 0.000 0.507 167 S N -0.236 115.506 115.700 0.071 0.000 2.661 167 S HA 0.335 4.806 4.470 0.002 0.000 0.245 167 S C -0.477 174.160 174.600 0.062 0.000 1.117 167 S CA -0.847 57.388 58.200 0.058 0.000 1.091 167 S CB -0.722 62.496 63.200 0.030 0.000 0.887 167 S HN 0.456 8.766 8.310 -0.000 0.000 0.491 168 Y N 2.880 123.187 120.300 0.013 0.000 2.442 168 Y HA 0.272 4.823 4.550 0.001 0.000 0.330 168 Y C 0.258 176.217 175.900 0.098 0.000 1.129 168 Y CA -1.004 57.120 58.100 0.040 0.000 1.365 168 Y CB 0.165 38.644 38.460 0.031 0.000 1.233 168 Y HN 0.470 8.750 8.280 -0.000 0.000 0.529 169 Y N 6.389 126.336 120.300 -0.589 0.000 2.815 169 Y HA 0.110 4.661 4.550 0.001 0.000 0.346 169 Y C 0.999 176.816 175.900 -0.138 0.000 1.267 169 Y CA -0.201 57.697 58.100 -0.337 0.000 1.604 169 Y CB 0.324 38.566 38.460 -0.363 0.000 1.218 169 Y HN 0.798 9.078 8.280 -0.000 0.000 0.527 170 A N 3.643 126.299 122.820 -0.274 0.000 2.067 170 A HA -0.084 4.237 4.320 0.002 0.000 0.219 170 A C 1.710 179.044 177.584 -0.417 0.000 1.158 170 A CA 1.610 53.513 52.037 -0.222 0.000 0.661 170 A CB -0.258 18.679 19.000 -0.104 0.000 0.801 170 A HN 0.618 8.768 8.150 -0.000 0.000 0.452 171 S N -0.329 114.764 115.700 -1.012 0.000 2.588 171 S HA 0.242 4.713 4.470 0.002 0.000 0.245 171 S C 0.455 174.666 174.600 -0.647 0.000 1.021 171 S CA -0.072 57.682 58.200 -0.743 0.000 1.006 171 S CB -0.044 62.827 63.200 -0.547 0.000 0.830 171 S HN 0.504 8.814 8.310 -0.000 0.000 0.468 172 S N 1.527 116.932 115.700 -0.493 0.000 2.584 172 S HA 0.167 4.638 4.470 0.002 0.000 0.270 172 S C 1.411 176.014 174.600 0.004 0.000 1.346 172 S CA -0.288 57.893 58.200 -0.031 0.000 1.018 172 S CB 0.450 63.726 63.200 0.126 0.000 0.899 172 S HN 0.166 8.476 8.310 -0.000 0.000 0.542 173 K N 1.637 122.050 120.400 0.022 0.000 2.209 173 K HA -0.011 4.310 4.320 0.002 0.000 0.204 173 K C -0.323 176.009 176.600 -0.446 0.000 1.048 173 K CA 1.240 57.385 56.287 -0.237 0.000 0.940 173 K CB -0.302 31.999 32.500 -0.330 0.000 0.729 173 K HN 0.652 8.902 8.250 -0.000 0.000 0.451 174 Y N 1.154 121.566 120.300 0.187 0.000 2.409 174 Y HA 0.196 4.747 4.550 0.002 0.000 0.343 174 Y C 0.163 176.216 175.900 0.255 0.000 0.973 174 Y CA -1.433 56.810 58.100 0.238 0.000 1.064 174 Y CB 1.351 40.009 38.460 0.330 0.000 1.207 174 Y HN -0.023 8.257 8.280 -0.000 0.000 0.452 175 E N 2.628 122.998 120.200 0.284 0.000 2.231 175 E HA 0.488 4.839 4.350 0.002 0.000 0.277 175 E C -0.984 175.653 176.600 0.061 0.000 0.999 175 E CA -0.798 55.684 56.400 0.136 0.000 0.827 175 E CB 1.396 31.140 29.700 0.073 0.000 1.101 175 E HN 0.358 8.718 8.360 -0.000 0.000 0.393 176 I N 3.938 124.396 120.570 -0.186 0.000 2.371 176 I HA 0.028 4.199 4.170 0.002 0.000 0.290 176 I C 0.973 177.047 176.117 -0.070 0.000 1.028 176 I CA -0.269 60.931 61.300 -0.167 0.000 1.345 176 I CB 0.723 38.474 38.000 -0.415 0.000 1.407 176 I HN 0.809 9.019 8.210 -0.000 0.000 0.501 177 L N 4.265 125.486 121.223 -0.002 0.000 2.221 177 L HA 0.077 4.418 4.340 0.002 0.000 0.202 177 L C 0.734 177.596 176.870 -0.012 0.000 1.074 177 L CA 0.582 55.419 54.840 -0.004 0.000 0.795 177 L CB -0.113 41.951 42.059 0.008 0.000 0.960 177 L HN 0.797 9.027 8.230 -0.000 0.000 0.458 178 S N -0.926 114.772 115.700 -0.004 0.000 2.537 178 S HA 0.785 5.256 4.470 0.002 0.000 0.271 178 S C -1.080 173.512 174.600 -0.012 0.000 1.148 178 S CA -0.424 57.769 58.200 -0.012 0.000 0.868 178 S CB 2.379 65.578 63.200 -0.002 0.000 1.115 178 S HN 0.089 8.399 8.310 -0.000 0.000 0.461 179 A N 1.881 124.685 122.820 -0.026 0.000 2.414 179 A HA 0.835 5.156 4.320 0.002 0.000 0.286 179 A C -0.157 177.411 177.584 -0.027 0.000 1.073 179 A CA -0.390 51.626 52.037 -0.035 0.000 0.727 179 A CB 1.065 20.030 19.000 -0.059 0.000 1.215 179 A HN 1.662 9.812 8.150 -0.000 0.000 0.430 180 T N 0.015 114.552 114.554 -0.027 0.000 2.908 180 T HA 0.742 5.093 4.350 0.002 0.000 0.290 180 T C -0.717 173.969 174.700 -0.024 0.000 1.034 180 T CA -0.712 61.380 62.100 -0.014 0.000 1.010 180 T CB 1.586 70.453 68.868 -0.002 0.000 1.068 180 T HN 0.824 9.064 8.240 -0.000 0.000 0.481 181 Q N 0.844 120.649 119.800 0.009 0.000 2.320 181 Q HA 0.585 4.926 4.340 0.002 0.000 0.268 181 Q C -1.424 174.603 176.000 0.045 0.000 1.023 181 Q CA -0.870 54.953 55.803 0.034 0.000 0.744 181 Q CB 1.607 30.414 28.738 0.115 0.000 1.246 181 Q HN 0.609 8.879 8.270 -0.000 0.000 0.462 182 T N 2.155 116.734 114.554 0.042 0.000 2.812 182 T HA 0.363 4.714 4.350 0.002 0.000 0.282 182 T C -0.540 174.191 174.700 0.052 0.000 0.990 182 T CA -0.702 61.422 62.100 0.040 0.000 0.960 182 T CB 1.487 70.372 68.868 0.029 0.000 0.948 182 T HN 0.502 8.742 8.240 -0.000 0.000 0.438 183 R N 2.854 123.384 120.500 0.050 0.000 2.489 183 R HA 0.181 4.521 4.340 0.002 0.000 0.287 183 R C -0.350 175.979 176.300 0.048 0.000 1.053 183 R CA 0.064 56.196 56.100 0.054 0.000 1.036 183 R CB 0.361 30.690 30.300 0.047 0.000 0.966 183 R HN 0.612 8.882 8.270 -0.000 0.000 0.432 184 Q N 3.083 122.916 119.800 0.055 0.000 2.356 184 Q HA 0.372 4.713 4.340 0.002 0.000 0.270 184 Q C -1.267 174.761 176.000 0.046 0.000 1.058 184 Q CA -1.039 54.794 55.803 0.050 0.000 0.802 184 Q CB 2.849 31.622 28.738 0.058 0.000 1.303 184 Q HN 0.306 8.576 8.270 -0.000 0.000 0.444 185 V N 2.523 122.453 119.914 0.026 0.000 2.357 185 V HA 0.262 4.383 4.120 0.002 0.000 0.284 185 V C -0.076 175.999 176.094 -0.031 0.000 1.018 185 V CA -0.653 61.643 62.300 -0.006 0.000 0.841 185 V CB 1.448 33.266 31.823 -0.008 0.000 0.991 185 V HN 0.669 8.859 8.190 -0.000 0.000 0.437 186 Q N 2.203 121.946 119.800 -0.096 0.000 2.194 186 Q HA 0.629 4.970 4.340 0.002 0.000 0.245 186 Q C -1.218 174.544 176.000 -0.397 0.000 0.993 186 Q CA -0.711 54.956 55.803 -0.225 0.000 0.930 186 Q CB 2.579 31.122 28.738 -0.325 0.000 1.238 186 Q HN 0.794 9.064 8.270 -0.000 0.000 0.486 187 H N -0.746 118.035 119.070 -0.482 0.000 2.954 187 H HA 0.404 4.961 4.556 0.002 0.000 0.361 187 H C -1.555 173.440 175.328 -0.556 0.000 1.122 187 H CA -0.317 55.517 56.048 -0.355 0.000 1.217 187 H CB 1.135 30.799 29.762 -0.164 0.000 1.776 187 H HN 0.374 8.654 8.280 -0.000 0.000 0.533 188 Y N 0.514 120.907 120.300 0.155 0.000 2.393 188 Y HA 0.154 4.705 4.550 0.002 0.000 0.341 188 Y C 1.466 177.404 175.900 0.065 0.000 0.988 188 Y CA -0.679 57.452 58.100 0.051 0.000 1.078 188 Y CB 2.069 40.490 38.460 -0.065 0.000 1.203 188 Y HN 0.750 9.030 8.280 -0.000 0.000 0.453 189 S N -0.301 115.510 115.700 0.184 0.000 2.420 189 S HA -0.250 4.221 4.470 0.002 0.000 0.237 189 S C 1.899 176.557 174.600 0.097 0.000 1.023 189 S CA 1.435 59.699 58.200 0.108 0.000 0.991 189 S CB -1.133 62.110 63.200 0.072 0.000 0.792 189 S HN 0.934 9.244 8.310 -0.000 0.000 0.488 190 C N 0.538 119.900 119.300 0.103 0.000 2.422 190 C HA 0.293 4.754 4.460 0.002 0.000 0.279 190 C C 1.210 176.255 174.990 0.092 0.000 1.305 190 C CA -0.826 58.234 59.018 0.071 0.000 1.757 190 C CB -2.113 25.649 27.740 0.037 0.000 1.962 190 C HN 0.686 8.916 8.230 -0.000 0.000 0.499 191 C N -0.612 118.772 119.300 0.140 0.000 3.173 191 C HA 0.541 5.002 4.460 0.002 0.000 0.310 191 C C -1.397 173.697 174.990 0.173 0.000 1.306 191 C CA -0.516 58.598 59.018 0.160 0.000 1.426 191 C CB 1.505 29.373 27.740 0.213 0.000 1.800 191 C HN 0.236 8.466 8.230 -0.000 0.000 0.470 192 P HA 0.053 4.473 4.420 -0.000 0.000 0.220 192 P C -0.037 177.313 177.300 0.082 0.000 1.154 192 P CA 0.927 64.119 63.100 0.153 0.000 0.830 192 P CB 0.134 31.935 31.700 0.169 0.000 0.803 193 E N 2.477 122.631 120.200 -0.077 0.000 2.467 193 E HA 0.048 4.399 4.350 0.002 0.000 0.264 193 E C -2.004 174.132 176.600 -0.773 0.000 1.020 193 E CA -0.932 55.080 56.400 -0.647 0.000 0.945 193 E CB -0.937 28.389 29.700 -0.624 0.000 0.942 193 E HN 0.350 8.710 8.360 -0.000 0.000 0.449 194 P HA 0.185 4.605 4.420 -0.000 0.000 0.284 194 P C -1.279 175.484 177.300 -0.895 0.000 1.258 194 P CA -0.409 62.084 63.100 -1.012 0.000 0.824 194 P CB 0.541 31.807 31.700 -0.724 0.000 1.038 195 Y N 0.975 121.059 120.300 -0.360 0.000 2.391 195 Y HA 0.411 4.962 4.550 0.002 0.000 0.341 195 Y C 0.389 176.257 175.900 -0.053 0.000 0.965 195 Y CA -0.861 57.169 58.100 -0.116 0.000 1.067 195 Y CB 1.690 40.169 38.460 0.031 0.000 1.199 195 Y HN 0.103 8.383 8.280 -0.000 0.000 0.450 196 I N 2.946 123.607 120.570 0.151 0.000 2.493 196 I HA 0.476 4.647 4.170 0.002 0.000 0.298 196 I C -0.716 175.513 176.117 0.187 0.000 0.998 196 I CA -0.954 60.419 61.300 0.122 0.000 1.137 196 I CB 1.512 39.558 38.000 0.076 0.000 1.310 196 I HN 0.728 8.938 8.210 -0.000 0.000 0.445 197 D N 3.219 123.706 120.400 0.146 0.000 2.579 197 D HA 0.624 5.265 4.640 0.002 0.000 0.257 197 D C -1.355 174.998 176.300 0.088 0.000 1.176 197 D CA -0.630 53.432 54.000 0.103 0.000 0.914 197 D CB 2.109 42.969 40.800 0.101 0.000 1.431 197 D HN 0.154 8.524 8.370 -0.000 0.000 0.454 198 V N 0.867 120.840 119.914 0.099 0.000 2.409 198 V HA 0.393 4.514 4.120 0.002 0.000 0.291 198 V C -0.486 175.688 176.094 0.133 0.000 1.020 198 V CA -0.879 61.500 62.300 0.131 0.000 0.848 198 V CB 1.252 33.181 31.823 0.175 0.000 0.990 198 V HN 0.669 8.859 8.190 -0.000 0.000 0.430 199 N N 4.073 122.817 118.700 0.072 0.000 2.439 199 N HA 0.335 5.076 4.740 0.002 0.000 0.249 199 N C -0.933 174.565 175.510 -0.020 0.000 1.003 199 N CA -0.708 52.356 53.050 0.023 0.000 0.942 199 N CB 1.166 39.666 38.487 0.020 0.000 1.115 199 N HN 0.535 8.915 8.380 -0.000 0.000 0.505 200 L N 5.741 126.910 121.223 -0.091 0.000 2.283 200 L HA 0.314 4.655 4.340 0.002 0.000 0.287 200 L C -1.043 175.735 176.870 -0.154 0.000 1.073 200 L CA -0.225 54.487 54.840 -0.213 0.000 0.822 200 L CB 0.883 42.667 42.059 -0.458 0.000 1.186 200 L HN 0.198 8.428 8.230 -0.000 0.000 0.436 201 V N 6.286 126.147 119.914 -0.089 0.000 2.384 201 V HA 0.501 4.622 4.120 0.002 0.000 0.287 201 V C -0.393 175.695 176.094 -0.011 0.000 1.020 201 V CA -0.618 61.665 62.300 -0.029 0.000 0.850 201 V CB 1.746 33.569 31.823 -0.001 0.000 0.987 201 V HN 0.490 8.680 8.190 -0.000 0.000 0.436 202 V N 4.728 124.669 119.914 0.045 0.000 2.487 202 V HA 0.509 4.630 4.120 0.002 0.000 0.298 202 V C -0.182 176.059 176.094 0.245 0.000 1.028 202 V CA -0.981 61.377 62.300 0.097 0.000 0.860 202 V CB 1.761 33.609 31.823 0.041 0.000 0.991 202 V HN 0.819 9.009 8.190 -0.000 0.000 0.427 203 K N 5.098 125.611 120.400 0.188 0.000 2.265 203 K HA 0.748 5.069 4.320 0.002 0.000 0.267 203 K C -1.256 175.482 176.600 0.231 0.000 0.994 203 K CA -0.445 55.937 56.287 0.158 0.000 0.860 203 K CB 1.151 33.680 32.500 0.048 0.000 1.099 203 K HN 0.676 8.926 8.250 -0.000 0.000 0.448 204 F N 1.241 121.188 119.950 -0.005 0.000 2.662 204 F HA 0.642 5.170 4.527 0.002 0.000 0.312 204 F C -1.224 174.614 175.800 0.064 0.000 1.113 204 F CA -1.233 56.777 58.000 0.016 0.000 0.951 204 F CB 1.190 40.199 39.000 0.015 0.000 1.344 204 F HN 0.499 8.799 8.300 -0.000 0.000 0.462 205 R N -0.065 120.544 120.500 0.181 0.000 2.734 205 R HA 0.447 4.788 4.340 0.002 0.000 0.271 205 R C -1.752 174.729 176.300 0.301 0.000 1.021 205 R CA -1.076 55.101 56.100 0.129 0.000 0.893 205 R CB 1.693 32.007 30.300 0.022 0.000 1.244 205 R HN 0.763 9.033 8.270 -0.000 0.000 0.464 206 E N 1.914 122.237 120.200 0.204 0.000 2.415 206 E HA 0.047 4.398 4.350 0.002 0.000 0.263 206 E C -0.378 176.217 176.600 -0.009 0.000 0.995 206 E CA -0.036 56.367 56.400 0.006 0.000 0.915 206 E CB 0.769 30.442 29.700 -0.045 0.000 0.951 206 E HN 0.210 8.570 8.360 -0.000 0.000 0.449 207 R N 2.307 122.776 120.500 -0.052 0.000 2.643 207 R HA 0.064 4.405 4.340 0.002 0.000 0.270 207 R C 0.765 177.045 176.300 -0.034 0.000 1.061 207 R CA 0.013 56.098 56.100 -0.025 0.000 1.107 207 R CB 0.675 30.955 30.300 -0.033 0.000 0.999 207 R HN 0.470 8.740 8.270 -0.000 0.000 0.460 208 R N 0.000 120.488 120.500 -0.019 0.000 2.786 208 R HA 0.000 4.341 4.340 0.002 0.000 0.208 208 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 208 R CB 0.000 30.293 30.300 -0.013 0.000 0.687 208 R HN 0.000 8.270 8.270 -0.000 0.000 0.535