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 2x7m_1_A DATA FIRST_RESID -6 DATA SEQUENCE LVPRGSHMKL CLVAFDGRIP MLSSIVDRFE EHVSEYLGEV KVKKKRAKLP DATA SEQUENCE EHAYSKVRGQ YLARALLDTL RGMKGEYDRV LGLTSEDLYA PGLNFVFGQA DATA SEQUENCE RCPGREAVVS VARLLDPDPE LYLERVVKEL THELGHTFGL GHCPDRNCVM DATA SEQUENCE SFSSSLLEVD RKSPNFCRRC TELLQRNLKR 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 -6 L HA 0.000 4.323 4.340 -0.029 0.000 0.249 -6 L C 0.000 176.838 176.870 -0.053 0.000 1.165 -6 L CA 0.000 54.822 54.840 -0.029 0.000 0.813 -6 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 -5 V N 1.916 121.782 119.914 -0.080 0.000 2.599 -5 V HA 0.079 4.112 4.120 -0.145 0.000 0.300 -5 V C -1.002 175.000 176.094 -0.154 0.000 1.034 -5 V CA -1.542 60.661 62.300 -0.163 0.000 1.115 -5 V CB -0.163 31.463 31.823 -0.328 0.000 0.934 -5 V HN -0.390 7.760 8.190 -0.066 0.000 0.485 -4 P HA -0.051 4.323 4.420 -0.076 0.000 0.261 -4 P C -1.260 175.972 177.300 -0.114 0.000 1.183 -4 P CA -0.260 62.779 63.100 -0.102 0.000 0.761 -4 P CB 0.641 32.291 31.700 -0.082 0.000 0.785 -3 R N 5.104 125.559 120.500 -0.075 0.000 2.537 -3 R HA -0.228 4.072 4.340 -0.067 0.000 0.281 -3 R C 1.380 177.652 176.300 -0.047 0.000 0.988 -3 R CA 1.619 57.684 56.100 -0.058 0.000 1.077 -3 R CB -0.344 29.935 30.300 -0.036 0.000 0.932 -3 R HN 0.268 8.502 8.270 -0.061 0.000 0.409 -2 G N 5.226 114.006 108.800 -0.034 0.000 2.159 -2 G HA2 -0.365 3.596 3.960 0.002 0.000 0.256 -2 G HA3 -0.365 3.607 3.960 0.019 0.000 0.256 -2 G C 0.472 175.374 174.900 0.003 0.000 0.977 -2 G CA 0.305 45.404 45.100 -0.001 0.000 0.652 -2 G HN 0.529 8.798 8.290 -0.035 0.000 0.531 -1 S N 0.391 116.062 115.700 -0.048 0.000 2.528 -1 S HA -0.138 4.335 4.470 0.004 0.000 0.219 -1 S C 0.058 174.721 174.600 0.105 0.000 0.985 -1 S CA 1.328 59.511 58.200 -0.029 0.000 0.914 -1 S CB 0.920 64.052 63.200 -0.113 0.000 0.776 -1 S HN -0.420 7.780 8.310 -0.103 0.048 0.526 0 H N 2.418 121.499 119.070 0.018 0.000 2.638 0 H HA 0.293 4.863 4.556 0.022 0.000 0.303 0 H C -1.042 174.314 175.328 0.047 0.000 1.034 0 H CA -1.734 54.331 56.048 0.027 0.000 1.225 0 H CB -0.284 29.493 29.762 0.025 0.000 1.394 0 H HN -0.193 8.090 8.280 0.071 0.040 0.477 1 M N 4.787 124.492 119.600 0.175 0.000 2.238 1 M HA -0.084 4.658 4.480 0.157 -0.167 0.350 1 M C -0.251 176.143 176.300 0.157 0.000 1.321 1 M CA 0.738 56.133 55.300 0.158 0.000 1.097 1 M CB 0.789 33.486 32.600 0.163 0.000 1.713 1 M HN 0.499 8.883 8.290 0.157 0.000 0.455 2 K N 4.412 124.918 120.400 0.176 0.000 2.263 2 K HA 0.309 4.914 4.320 0.207 -0.161 0.282 2 K C -1.029 175.745 176.600 0.291 0.000 1.089 2 K CA -0.457 55.967 56.287 0.228 0.000 0.907 2 K CB 0.477 33.097 32.500 0.200 0.000 1.148 2 K HN 0.511 9.243 8.250 0.168 -0.382 0.470 3 L N 4.469 125.831 121.223 0.232 0.000 2.317 3 L HA 0.534 5.158 4.340 0.165 -0.185 0.281 3 L C -1.302 175.577 176.870 0.014 0.000 1.024 3 L CA -1.407 53.530 54.840 0.162 0.000 0.810 3 L CB 3.401 45.572 42.059 0.188 0.000 1.240 3 L HN 0.177 8.526 8.230 0.197 0.000 0.427 4 C N 3.864 123.036 119.300 -0.212 0.000 2.319 4 C HA 0.576 4.951 4.460 -0.448 -0.184 0.323 4 C C -2.038 172.814 174.990 -0.230 0.000 1.277 4 C CA -2.622 56.095 59.018 -0.501 0.000 1.517 4 C CB 2.139 29.168 27.740 -1.185 0.000 2.206 4 C HN 0.515 8.656 8.230 -0.148 0.000 0.486 5 L N 8.747 129.881 121.223 -0.148 0.000 2.272 5 L HA 0.841 5.340 4.340 -0.097 -0.218 0.289 5 L C -1.322 175.463 176.870 -0.142 0.000 1.032 5 L CA -1.252 53.528 54.840 -0.100 0.000 0.810 5 L CB 1.069 43.110 42.059 -0.030 0.000 1.205 5 L HN 0.722 8.871 8.230 -0.134 0.000 0.422 6 V N 4.961 124.776 119.914 -0.166 0.000 2.409 6 V HA 0.384 4.560 4.120 -0.236 -0.198 0.291 6 V C -1.729 174.222 176.094 -0.238 0.000 1.020 6 V CA -2.081 60.070 62.300 -0.249 0.000 0.848 6 V CB 1.687 33.291 31.823 -0.365 0.000 0.990 6 V HN 0.743 8.848 8.190 -0.142 0.000 0.430 7 A N 7.457 130.156 122.820 -0.201 0.000 2.276 7 A HA 0.481 4.926 4.320 -0.040 -0.149 0.300 7 A C -0.266 177.215 177.584 -0.172 0.000 1.235 7 A CA -1.621 50.350 52.037 -0.110 0.000 0.867 7 A CB 1.213 20.181 19.000 -0.053 0.000 1.137 7 A HN 0.775 8.812 8.150 -0.189 0.000 0.527 8 F N 2.742 122.655 119.950 -0.061 0.000 2.710 8 F HA 0.038 4.702 4.527 -0.080 -0.185 0.298 8 F C -0.944 174.808 175.800 -0.082 0.000 1.137 8 F CA 2.247 60.196 58.000 -0.085 0.000 1.444 8 F CB 1.155 40.080 39.000 -0.125 0.000 1.111 8 F HN 0.370 8.798 8.300 0.213 0.000 0.580 9 D N -5.961 114.498 120.400 0.099 0.000 2.665 9 D HA 0.057 4.719 4.640 0.037 0.000 0.287 9 D C -0.255 176.062 176.300 0.030 0.000 1.266 9 D CA -1.062 52.968 54.000 0.050 0.000 0.830 9 D CB 2.309 43.136 40.800 0.045 0.000 1.356 9 D HN -0.878 7.509 8.370 0.090 0.037 0.437 10 G N -3.318 105.493 108.800 0.019 0.000 3.371 10 G HA2 0.078 4.043 3.960 0.009 0.000 0.248 10 G HA3 0.078 4.045 3.960 0.012 0.000 0.248 10 G C 0.288 175.198 174.900 0.016 0.000 1.161 10 G CA -0.444 44.664 45.100 0.014 0.000 0.796 10 G HN 0.115 8.416 8.290 0.017 0.000 0.539 11 R N -0.191 120.323 120.500 0.023 0.000 2.586 11 R HA 0.211 4.558 4.340 0.012 0.000 0.336 11 R C -0.442 175.876 176.300 0.031 0.000 1.060 11 R CA -1.257 54.855 56.100 0.020 0.000 1.079 11 R CB 0.549 30.860 30.300 0.017 0.000 1.317 11 R HN -0.413 8.132 8.270 0.029 -0.257 0.568 12 I N 2.726 123.324 120.570 0.047 0.000 2.322 12 I HA 0.113 4.338 4.170 0.093 0.000 0.292 12 I C -2.145 174.020 176.117 0.081 0.000 1.060 12 I CA -2.246 59.102 61.300 0.080 0.000 1.309 12 I CB 0.292 38.344 38.000 0.086 0.000 1.415 12 I HN -0.346 7.834 8.210 0.043 0.056 0.492 13 P HA 0.054 4.467 4.420 -0.011 0.000 0.268 13 P C -1.092 176.305 177.300 0.161 0.000 1.204 13 P CA 0.404 63.508 63.100 0.007 0.000 0.768 13 P CB 0.601 32.147 31.700 -0.257 0.000 0.842 14 M N -3.932 115.732 119.600 0.107 0.000 2.393 14 M HA -0.474 4.060 4.480 0.091 0.000 0.201 14 M C 0.336 176.716 176.300 0.132 0.000 0.403 14 M CA 0.825 56.209 55.300 0.141 0.000 0.471 14 M CB -2.554 30.184 32.600 0.231 0.000 1.669 14 M HN 0.242 8.564 8.290 0.054 0.000 0.864 15 L N 0.178 121.457 121.223 0.095 0.000 2.013 15 L HA -0.403 3.979 4.340 0.070 0.000 0.212 15 L C 0.807 177.708 176.870 0.051 0.000 1.073 15 L CA 4.054 58.934 54.840 0.066 0.000 0.753 15 L CB -0.382 41.704 42.059 0.044 0.000 0.890 15 L HN -0.519 7.751 8.230 0.082 0.009 0.432 16 S N -3.208 112.521 115.700 0.047 0.000 2.383 16 S HA -0.319 4.173 4.470 0.037 0.000 0.227 16 S C 1.942 176.571 174.600 0.048 0.000 1.026 16 S CA 3.335 61.560 58.200 0.041 0.000 0.981 16 S CB -1.610 61.610 63.200 0.033 0.000 0.818 16 S HN 0.201 8.539 8.310 0.047 0.000 0.472 17 S N 3.768 119.501 115.700 0.055 0.000 2.387 17 S HA -0.151 4.348 4.470 0.048 0.000 0.226 17 S C 2.064 176.695 174.600 0.052 0.000 1.026 17 S CA 3.397 61.629 58.200 0.054 0.000 0.972 17 S CB -0.681 62.557 63.200 0.063 0.000 0.814 17 S HN -0.854 7.493 8.310 0.061 0.000 0.477 18 I N 2.681 123.277 120.570 0.044 0.000 2.163 18 I HA -0.522 3.644 4.170 -0.006 0.000 0.243 18 I C 1.657 177.824 176.117 0.083 0.000 1.085 18 I CA 4.715 66.026 61.300 0.019 0.000 1.347 18 I CB -0.160 37.825 38.000 -0.025 0.000 1.044 18 I HN -0.087 8.155 8.210 0.054 0.000 0.408 19 V N 0.160 120.123 119.914 0.082 0.000 2.358 19 V HA -0.566 3.660 4.120 0.177 0.000 0.246 19 V C 1.716 177.897 176.094 0.147 0.000 1.047 19 V CA 5.136 67.513 62.300 0.128 0.000 1.035 19 V CB -0.465 31.405 31.823 0.080 0.000 0.658 19 V HN -0.342 7.884 8.190 0.061 0.000 0.452 20 D N 0.013 120.469 120.400 0.093 0.000 2.104 20 D HA -0.256 4.422 4.640 0.063 0.000 0.194 20 D C 2.743 179.092 176.300 0.081 0.000 0.994 20 D CA 3.571 57.614 54.000 0.071 0.000 0.830 20 D CB -0.540 40.289 40.800 0.049 0.000 0.959 20 D HN -0.364 8.051 8.370 0.076 0.000 0.452 21 R N -1.178 119.378 120.500 0.093 0.000 2.073 21 R HA -0.194 4.188 4.340 0.069 0.000 0.229 21 R C 2.313 178.706 176.300 0.156 0.000 1.120 21 R CA 2.962 59.117 56.100 0.092 0.000 0.967 21 R CB 0.016 30.350 30.300 0.057 0.000 0.862 21 R HN -0.108 8.215 8.270 0.088 0.000 0.436 22 F N 1.991 121.971 119.950 0.049 0.000 2.134 22 F HA -0.353 4.250 4.527 0.128 0.000 0.299 22 F C 1.170 177.044 175.800 0.124 0.000 1.097 22 F CA 2.973 61.031 58.000 0.096 0.000 1.264 22 F CB -0.006 39.032 39.000 0.065 0.000 1.001 22 F HN 0.286 8.774 8.300 0.313 0.000 0.479 23 E N -0.690 119.519 120.200 0.013 0.000 2.058 23 E HA -0.520 3.712 4.350 -0.197 0.000 0.194 23 E C 2.048 178.585 176.600 -0.105 0.000 0.997 23 E CA 3.541 59.885 56.400 -0.093 0.000 0.801 23 E CB -0.253 29.457 29.700 0.016 0.000 0.746 23 E HN -0.101 8.358 8.360 0.164 0.000 0.450 24 E N -1.420 118.764 120.200 -0.027 0.000 2.072 24 E HA -0.312 4.014 4.350 -0.040 0.000 0.191 24 E C 1.833 178.423 176.600 -0.017 0.000 0.985 24 E CA 2.255 58.644 56.400 -0.018 0.000 0.801 24 E CB -0.292 29.418 29.700 0.017 0.000 0.750 24 E HN -0.717 7.650 8.360 0.012 0.000 0.452 25 H N -0.037 118.979 119.070 -0.089 0.000 2.326 25 H HA -0.285 4.249 4.556 -0.037 0.000 0.301 25 H C 2.590 177.888 175.328 -0.050 0.000 1.081 25 H CA 3.441 59.457 56.048 -0.053 0.000 1.334 25 H CB 0.193 29.956 29.762 0.002 0.000 1.385 25 H HN -0.205 8.064 8.280 0.113 0.079 0.504 26 V N -3.806 115.960 119.914 -0.246 0.000 3.041 26 V HA -0.257 3.833 4.120 -0.050 0.000 0.260 26 V C 0.909 176.919 176.094 -0.140 0.000 1.105 26 V CA 2.502 64.684 62.300 -0.197 0.000 1.125 26 V CB -0.840 30.762 31.823 -0.367 0.000 0.730 26 V HN -0.143 7.866 8.190 -0.301 0.000 0.479 27 S N 1.764 117.359 115.700 -0.176 0.000 2.419 27 S HA -0.316 4.305 4.470 -0.114 -0.219 0.235 27 S C 2.081 176.566 174.600 -0.192 0.000 1.019 27 S CA 2.961 61.075 58.200 -0.143 0.000 0.982 27 S CB -0.858 62.271 63.200 -0.118 0.000 0.789 27 S HN -0.411 7.759 8.310 -0.182 0.031 0.490 28 E N 1.991 121.999 120.200 -0.320 0.000 2.118 28 E HA -0.281 3.856 4.350 -0.355 0.000 0.195 28 E C 1.120 177.387 176.600 -0.554 0.000 0.992 28 E CA 2.397 58.497 56.400 -0.500 0.000 0.804 28 E CB -0.167 29.065 29.700 -0.781 0.000 0.741 28 E HN -0.564 7.575 8.360 -0.332 0.022 0.458 29 Y N -5.662 114.546 120.300 -0.153 0.000 2.479 29 Y HA -0.010 4.443 4.550 -0.161 0.000 0.283 29 Y C 0.650 176.427 175.900 -0.206 0.000 1.109 29 Y CA 1.804 59.799 58.100 -0.176 0.000 1.239 29 Y CB 1.542 39.891 38.460 -0.184 0.000 1.108 29 Y HN -0.676 7.331 8.280 -0.246 0.126 0.548 30 L N -7.516 113.680 121.223 -0.045 0.000 2.616 30 L HA 0.063 4.331 4.340 -0.120 0.000 0.229 30 L C 0.140 176.984 176.870 -0.044 0.000 1.110 30 L CA -0.115 54.680 54.840 -0.075 0.000 0.884 30 L CB 0.766 42.801 42.059 -0.042 0.000 1.115 30 L HN -0.454 7.750 8.230 -0.043 0.000 0.481 31 G N -1.633 107.132 108.800 -0.058 0.000 2.796 31 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.571 31 G HA3 -0.330 3.623 3.960 -0.048 -0.022 0.571 31 G C -2.049 172.830 174.900 -0.035 0.000 1.370 31 G CA -0.977 44.103 45.100 -0.033 0.000 0.856 31 G HN -0.728 7.510 8.290 -0.085 0.000 0.538 32 E N -0.643 119.542 120.200 -0.024 0.000 2.498 32 E HA -0.193 4.101 4.350 -0.092 0.000 0.252 32 E C -0.933 175.586 176.600 -0.136 0.000 1.025 32 E CA 0.431 56.779 56.400 -0.087 0.000 0.938 32 E CB 0.335 29.974 29.700 -0.101 0.000 0.947 32 E HN 0.064 8.426 8.360 0.004 0.000 0.478 33 V N -1.209 118.632 119.914 -0.121 0.000 2.547 33 V HA 0.269 4.446 4.120 -0.056 -0.090 0.299 33 V C -0.394 175.638 176.094 -0.105 0.000 1.040 33 V CA -2.101 60.150 62.300 -0.081 0.000 0.913 33 V CB 2.406 34.210 31.823 -0.031 0.000 0.992 33 V HN -0.370 7.754 8.190 -0.110 0.000 0.449 34 K N 5.592 125.954 120.400 -0.062 0.000 2.268 34 K HA 0.169 4.456 4.320 -0.055 0.000 0.276 34 K C -1.391 175.247 176.600 0.063 0.000 1.080 34 K CA -2.157 54.118 56.287 -0.021 0.000 0.910 34 K CB -0.715 31.790 32.500 0.007 0.000 1.163 34 K HN -0.142 8.095 8.250 -0.021 0.000 0.465 35 V N 4.895 124.840 119.914 0.053 0.000 2.567 35 V HA 0.544 4.935 4.120 0.093 -0.215 0.289 35 V C 0.444 176.582 176.094 0.072 0.000 1.049 35 V CA -1.653 60.692 62.300 0.076 0.000 0.969 35 V CB 1.348 33.218 31.823 0.078 0.000 0.995 35 V HN 0.250 8.457 8.190 0.028 0.000 0.471 36 K N 6.535 126.966 120.400 0.052 0.000 2.427 36 K HA 0.406 4.758 4.320 0.053 0.000 0.252 36 K C -1.772 174.802 176.600 -0.044 0.000 0.931 36 K CA -2.326 53.985 56.287 0.039 0.000 0.793 36 K CB 3.643 36.232 32.500 0.147 0.000 1.211 36 K HN 0.297 8.558 8.250 0.018 0.000 0.426 37 K N 3.977 124.362 120.400 -0.024 0.000 2.183 37 K HA 0.764 5.251 4.320 -0.070 -0.209 0.274 37 K C -0.022 176.538 176.600 -0.066 0.000 1.009 37 K CA -0.959 55.298 56.287 -0.049 0.000 0.888 37 K CB 1.831 34.319 32.500 -0.021 0.000 1.078 37 K HN 0.265 8.515 8.250 0.000 0.000 0.459 38 K N 2.065 122.399 120.400 -0.110 0.000 2.466 38 K HA 0.459 4.732 4.320 -0.079 0.000 0.260 38 K C -1.620 174.894 176.600 -0.144 0.000 1.011 38 K CA -2.503 53.714 56.287 -0.116 0.000 0.871 38 K CB 3.840 36.251 32.500 -0.149 0.000 1.404 38 K HN 0.613 8.785 8.250 -0.130 0.000 0.450 39 R N -1.380 119.036 120.500 -0.140 0.000 2.732 39 R HA 0.702 5.130 4.340 -0.203 -0.209 0.278 39 R C -0.567 175.584 176.300 -0.248 0.000 0.976 39 R CA -1.571 54.424 56.100 -0.176 0.000 0.963 39 R CB 2.008 32.247 30.300 -0.102 0.000 1.150 39 R HN 0.149 8.352 8.270 -0.111 0.000 0.478 40 A N 0.732 123.329 122.820 -0.373 0.000 2.556 40 A HA 0.353 4.543 4.320 -0.217 0.000 0.294 40 A C -2.455 175.036 177.584 -0.154 0.000 1.091 40 A CA -1.155 50.661 52.037 -0.367 0.000 0.704 40 A CB 3.260 21.817 19.000 -0.740 0.000 1.300 40 A HN 0.349 8.251 8.150 -0.413 0.000 0.406 41 K N 1.298 121.705 120.400 0.011 0.000 2.234 41 K HA 0.053 4.427 4.320 0.090 0.000 0.282 41 K C -0.087 176.665 176.600 0.253 0.000 1.039 41 K CA -0.526 55.827 56.287 0.110 0.000 0.928 41 K CB 0.735 33.279 32.500 0.074 0.000 1.039 41 K HN 0.106 8.358 8.250 0.004 0.000 0.470 42 L N 5.106 126.433 121.223 0.173 0.000 2.490 42 L HA 0.046 4.308 4.340 -0.131 0.000 0.274 42 L C -1.103 175.773 176.870 0.010 0.000 1.201 42 L CA -1.568 53.231 54.840 -0.068 0.000 0.869 42 L CB -0.346 41.467 42.059 -0.410 0.000 1.123 42 L HN 0.451 8.752 8.230 0.120 0.000 0.484 43 P HA 0.088 4.586 4.420 0.131 0.000 0.279 43 P C -0.260 177.083 177.300 0.072 0.000 1.318 43 P CA -0.661 62.465 63.100 0.044 0.000 0.819 43 P CB 0.330 31.997 31.700 -0.054 0.000 0.927 44 E N 4.817 125.114 120.200 0.161 0.000 2.204 44 E HA -0.341 4.184 4.350 0.292 0.000 0.195 44 E C 1.897 178.581 176.600 0.140 0.000 0.990 44 E CA 2.751 59.267 56.400 0.193 0.000 0.821 44 E CB -0.758 29.026 29.700 0.141 0.000 0.750 44 E HN 0.626 9.085 8.360 0.164 0.000 0.477 45 H N -3.512 115.650 119.070 0.153 0.000 2.489 45 H HA -0.210 4.405 4.556 0.098 0.000 0.293 45 H C 0.185 175.583 175.328 0.117 0.000 1.066 45 H CA 1.634 57.749 56.048 0.111 0.000 1.305 45 H CB -0.837 28.973 29.762 0.081 0.000 1.386 45 H HN -0.082 8.290 8.280 0.196 0.025 0.551 46 A N -2.188 120.362 122.820 -0.450 0.000 2.275 46 A HA 0.050 4.303 4.320 -0.111 0.000 0.212 46 A C -1.418 176.155 177.584 -0.018 0.000 1.201 46 A CA -0.660 51.247 52.037 -0.217 0.000 0.843 46 A CB 0.872 19.689 19.000 -0.305 0.000 0.873 46 A HN -0.482 7.170 8.150 -0.584 0.148 0.492 47 Y N 1.321 121.477 120.300 -0.240 0.000 2.393 47 Y HA 0.042 4.247 4.550 -0.814 -0.144 0.338 47 Y C -0.867 174.889 175.900 -0.240 0.000 1.029 47 Y CA -0.726 57.053 58.100 -0.534 0.000 1.239 47 Y CB 0.316 38.381 38.460 -0.658 0.000 1.170 47 Y HN -0.611 7.530 8.280 0.064 0.178 0.515 48 S N 7.700 122.986 115.700 -0.689 0.000 2.430 48 S HA 0.218 4.480 4.470 -0.346 0.000 0.289 48 S C 0.353 174.393 174.600 -0.934 0.000 1.143 48 S CA -1.396 56.470 58.200 -0.557 0.000 1.067 48 S CB 0.530 63.500 63.200 -0.384 0.000 0.964 48 S HN 0.744 8.642 8.310 -0.687 0.000 0.485 49 K N 8.683 128.736 120.400 -0.579 0.000 2.097 49 K HA -0.230 3.750 4.320 -0.568 0.000 0.205 49 K C 0.852 177.269 176.600 -0.305 0.000 1.050 49 K CA 2.792 58.830 56.287 -0.415 0.000 0.938 49 K CB -0.435 32.002 32.500 -0.106 0.000 0.718 49 K HN 0.658 8.691 8.250 -0.361 0.000 0.442 50 V N -2.146 117.616 119.914 -0.253 0.000 2.295 50 V HA -0.264 3.769 4.120 -0.144 0.000 0.246 50 V C 1.551 177.506 176.094 -0.232 0.000 1.049 50 V CA 2.562 64.747 62.300 -0.192 0.000 1.024 50 V CB -0.245 31.484 31.823 -0.156 0.000 0.648 50 V HN -0.213 7.831 8.190 -0.244 0.000 0.447 51 R N -2.673 117.626 120.500 -0.335 0.000 2.193 51 R HA -0.104 4.073 4.340 -0.272 0.000 0.213 51 R C 0.860 176.983 176.300 -0.295 0.000 1.055 51 R CA 0.463 56.356 56.100 -0.345 0.000 0.995 51 R CB 0.766 30.747 30.300 -0.533 0.000 0.893 51 R HN -0.346 7.690 8.270 -0.390 0.000 0.459 52 G N -0.905 107.661 108.800 -0.390 0.000 2.273 52 G HA2 -0.355 3.568 3.960 -0.061 0.000 0.280 52 G HA3 -0.355 3.460 3.960 -0.242 0.000 0.280 52 G C -1.811 173.031 174.900 -0.097 0.000 1.047 52 G CA 0.469 45.440 45.100 -0.214 0.000 0.869 52 G HN -0.104 7.839 8.290 -0.528 0.030 0.502 53 Q N -3.652 115.963 119.800 -0.308 0.000 2.456 53 Q HA 0.563 5.157 4.340 0.171 -0.152 0.283 53 Q C -1.464 174.539 176.000 0.005 0.000 1.084 53 Q CA -1.811 53.988 55.803 -0.007 0.000 0.801 53 Q CB 4.765 33.507 28.738 0.006 0.000 1.434 53 Q HN -0.888 7.025 8.270 -0.580 0.008 0.419 54 Y N -1.237 119.217 120.300 0.256 0.000 2.387 54 Y HA 0.394 5.268 4.550 0.199 -0.205 0.330 54 Y C 0.227 176.174 175.900 0.079 0.000 1.133 54 Y CA -1.657 56.551 58.100 0.180 0.000 1.152 54 Y CB 2.641 41.127 38.460 0.043 0.000 1.215 54 Y HN 0.439 9.040 8.280 0.536 0.000 0.466 55 L N 1.976 123.208 121.223 0.014 0.000 2.500 55 L HA -0.143 3.901 4.340 -0.768 -0.165 0.272 55 L C 0.854 177.627 176.870 -0.162 0.000 1.149 55 L CA 0.462 55.083 54.840 -0.364 0.000 0.897 55 L CB -0.319 41.534 42.059 -0.343 0.000 1.178 55 L HN -0.080 8.186 8.230 0.059 0.000 0.473 56 A N 6.077 128.802 122.820 -0.159 0.000 1.940 56 A HA -0.413 3.856 4.320 -0.085 0.000 0.219 56 A C 1.716 179.250 177.584 -0.084 0.000 1.176 56 A CA 3.524 55.508 52.037 -0.088 0.000 0.631 56 A CB -0.294 18.682 19.000 -0.039 0.000 0.814 56 A HN 0.815 8.839 8.150 -0.210 0.000 0.446 57 R N -1.603 118.842 120.500 -0.092 0.000 2.120 57 R HA -0.344 3.974 4.340 -0.035 0.000 0.234 57 R C 1.352 177.639 176.300 -0.022 0.000 1.123 57 R CA 2.759 58.828 56.100 -0.052 0.000 0.975 57 R CB -0.837 29.426 30.300 -0.061 0.000 0.866 57 R HN 0.334 8.516 8.270 -0.129 0.010 0.446 58 A N -1.446 121.354 122.820 -0.034 0.000 1.969 58 A HA -0.152 4.216 4.320 0.079 0.000 0.218 58 A C 1.826 179.407 177.584 -0.006 0.000 1.169 58 A CA 2.719 54.764 52.037 0.014 0.000 0.635 58 A CB -0.890 18.085 19.000 -0.041 0.000 0.810 58 A HN -0.469 7.633 8.150 -0.067 0.009 0.445 59 L N -1.439 119.722 121.223 -0.103 0.000 2.093 59 L HA -0.317 3.928 4.340 -0.159 0.000 0.208 59 L C 2.040 178.951 176.870 0.068 0.000 1.085 59 L CA 3.332 58.075 54.840 -0.162 0.000 0.755 59 L CB -0.327 41.424 42.059 -0.514 0.000 0.904 59 L HN -0.736 7.329 8.230 -0.130 0.087 0.435 60 L N -0.700 120.546 121.223 0.038 0.000 2.046 60 L HA -0.519 3.878 4.340 0.096 0.000 0.208 60 L C 2.079 178.997 176.870 0.081 0.000 1.077 60 L CA 3.464 58.346 54.840 0.069 0.000 0.747 60 L CB -1.055 41.024 42.059 0.034 0.000 0.896 60 L HN -0.239 7.914 8.230 -0.001 0.077 0.432 61 D N -0.799 119.646 120.400 0.074 0.000 2.117 61 D HA -0.236 4.443 4.640 0.066 0.000 0.197 61 D C 2.568 178.933 176.300 0.109 0.000 0.987 61 D CA 3.595 57.644 54.000 0.083 0.000 0.829 61 D CB -0.765 40.090 40.800 0.091 0.000 0.961 61 D HN -0.035 8.295 8.370 0.061 0.076 0.460 62 T N 2.424 117.068 114.554 0.150 0.000 2.708 62 T HA -0.302 4.141 4.350 0.155 0.000 0.266 62 T C 2.590 177.382 174.700 0.152 0.000 1.037 62 T CA 4.360 66.572 62.100 0.186 0.000 1.146 62 T CB -0.022 69.027 68.868 0.301 0.000 0.865 62 T HN -0.293 7.959 8.240 0.148 0.076 0.435 63 L N 0.804 122.133 121.223 0.176 0.000 2.083 63 L HA -0.311 4.054 4.340 0.042 0.000 0.209 63 L C 2.011 178.920 176.870 0.064 0.000 1.083 63 L CA 2.863 57.760 54.840 0.094 0.000 0.752 63 L CB -0.725 41.399 42.059 0.109 0.000 0.899 63 L HN 0.105 8.470 8.230 0.224 0.000 0.433 64 R N -1.604 118.938 120.500 0.071 0.000 2.152 64 R HA -0.280 4.284 4.340 0.051 -0.194 0.232 64 R C 1.269 177.601 176.300 0.053 0.000 1.117 64 R CA 2.325 58.458 56.100 0.055 0.000 0.981 64 R CB 0.047 30.376 30.300 0.048 0.000 0.870 64 R HN -0.162 8.064 8.270 0.082 0.093 0.451 65 G N -2.879 105.956 108.800 0.058 0.000 3.088 65 G HA2 0.005 3.998 3.960 0.055 0.000 0.212 65 G HA3 0.005 3.993 3.960 0.045 0.000 0.212 65 G C -0.101 174.826 174.900 0.046 0.000 1.173 65 G CA -0.547 44.584 45.100 0.051 0.000 0.779 65 G HN -0.584 7.601 8.290 0.068 0.145 0.540 66 M N 1.016 120.645 119.600 0.048 0.000 2.216 66 M HA -0.004 4.497 4.480 0.035 0.000 0.356 66 M C 0.143 176.486 176.300 0.073 0.000 1.205 66 M CA 0.310 55.637 55.300 0.045 0.000 1.122 66 M CB 0.829 33.441 32.600 0.021 0.000 1.571 66 M HN -0.770 7.380 8.290 0.050 0.170 0.464 67 K N 3.588 124.029 120.400 0.068 0.000 2.276 67 K HA -0.116 4.238 4.320 0.056 0.000 0.259 67 K C 0.613 177.289 176.600 0.128 0.000 1.001 67 K CA 0.507 56.837 56.287 0.071 0.000 0.927 67 K CB 0.386 32.914 32.500 0.047 0.000 0.969 67 K HN 0.289 8.572 8.250 0.054 0.000 0.490 68 G N 0.238 109.077 108.800 0.064 0.000 2.525 68 G HA2 -0.104 3.930 3.960 0.123 0.000 0.685 68 G HA3 -0.104 3.788 3.960 -0.114 0.000 0.685 68 G C -2.257 172.546 174.900 -0.162 0.000 1.285 68 G CA -0.775 44.305 45.100 -0.033 0.000 0.849 68 G HN -0.230 8.075 8.290 0.025 0.000 0.653 69 E N 0.998 120.939 120.200 -0.431 0.000 2.055 69 E HA 0.203 4.463 4.350 -0.149 0.000 0.274 69 E C -1.533 174.752 176.600 -0.525 0.000 0.949 69 E CA -0.890 55.322 56.400 -0.313 0.000 0.775 69 E CB 0.410 29.991 29.700 -0.197 0.000 1.097 69 E HN 0.150 8.197 8.360 -0.521 0.000 0.404 70 Y N 5.095 125.408 120.300 0.022 0.000 2.512 70 Y HA 0.132 4.705 4.550 0.038 0.000 0.348 70 Y C -0.439 175.478 175.900 0.029 0.000 0.990 70 Y CA -0.944 57.174 58.100 0.031 0.000 1.033 70 Y CB 3.391 41.868 38.460 0.029 0.000 1.259 70 Y HN -0.149 8.171 8.280 0.068 0.000 0.461 71 D N 2.249 122.770 120.400 0.201 0.000 2.149 71 D HA -0.080 4.615 4.640 0.091 0.000 0.201 71 D C -0.037 176.316 176.300 0.089 0.000 0.972 71 D CA 3.128 57.203 54.000 0.125 0.000 0.835 71 D CB 1.061 41.947 40.800 0.143 0.000 0.966 71 D HN 0.083 8.590 8.370 0.229 0.000 0.476 72 R N -4.269 116.308 120.500 0.129 0.000 2.673 72 R HA 0.709 5.259 4.340 0.024 -0.195 0.281 72 R C -2.079 174.261 176.300 0.066 0.000 0.991 72 R CA -2.366 53.776 56.100 0.069 0.000 0.896 72 R CB 3.900 34.243 30.300 0.072 0.000 1.201 72 R HN -0.605 7.774 8.270 0.182 0.000 0.457 73 V N 3.128 123.056 119.914 0.023 0.000 2.407 73 V HA 0.483 4.698 4.120 -0.110 -0.160 0.291 73 V C -1.979 174.107 176.094 -0.013 0.000 1.018 73 V CA -1.126 61.149 62.300 -0.042 0.000 0.842 73 V CB 1.274 33.074 31.823 -0.037 0.000 0.996 73 V HN 0.685 8.889 8.190 0.024 0.000 0.426 74 L N 6.655 127.860 121.223 -0.029 0.000 2.325 74 L HA 0.667 5.237 4.340 0.016 -0.220 0.281 74 L C -0.591 176.261 176.870 -0.030 0.000 1.004 74 L CA -1.226 53.605 54.840 -0.015 0.000 0.823 74 L CB 2.455 44.486 42.059 -0.048 0.000 1.236 74 L HN 0.969 9.163 8.230 -0.059 0.000 0.415 75 G N 2.155 110.988 108.800 0.054 0.000 2.412 75 G HA2 0.803 4.974 3.960 0.352 0.000 0.318 75 G HA3 0.803 4.952 3.960 0.018 -0.178 0.318 75 G C -2.446 172.535 174.900 0.135 0.000 1.146 75 G CA -1.593 43.592 45.100 0.141 0.000 0.882 75 G HN 0.823 9.057 8.290 0.087 0.108 0.501 76 L N 1.038 122.355 121.223 0.157 0.000 2.381 76 L HA 1.044 5.689 4.340 0.096 -0.247 0.268 76 L C -1.390 175.610 176.870 0.217 0.000 0.997 76 L CA -1.294 53.619 54.840 0.122 0.000 0.818 76 L CB 4.753 46.831 42.059 0.031 0.000 1.310 76 L HN 0.870 9.182 8.230 0.136 0.000 0.416 77 T N 0.065 114.705 114.554 0.143 0.000 2.900 77 T HA 0.628 5.173 4.350 0.145 -0.108 0.303 77 T C -0.839 173.911 174.700 0.082 0.000 1.142 77 T CA -1.958 60.209 62.100 0.111 0.000 1.007 77 T CB 2.175 71.037 68.868 -0.012 0.000 1.156 77 T HN 0.264 8.568 8.240 0.107 0.000 0.490 78 S N 3.644 119.387 115.700 0.073 0.000 2.556 78 S HA 0.195 4.719 4.470 0.091 0.000 0.216 78 S C 0.005 174.651 174.600 0.078 0.000 0.970 78 S CA 0.134 58.380 58.200 0.077 0.000 0.912 78 S CB 0.502 63.741 63.200 0.064 0.000 0.790 78 S HN 0.528 9.360 8.310 0.067 -0.482 0.504 79 E N 2.016 122.259 120.200 0.072 0.000 2.343 79 E HA -0.009 4.435 4.350 0.157 0.000 0.269 79 E C -0.845 175.850 176.600 0.159 0.000 1.047 79 E CA -0.376 56.108 56.400 0.140 0.000 0.874 79 E CB 1.249 31.049 29.700 0.166 0.000 1.033 79 E HN -0.722 7.609 8.360 0.037 0.051 0.409 80 D N 1.531 122.046 120.400 0.192 0.000 2.345 80 D HA -0.039 4.681 4.640 0.133 0.000 0.247 80 D C -0.831 175.613 176.300 0.241 0.000 1.108 80 D CA 0.655 54.754 54.000 0.164 0.000 0.894 80 D CB 1.039 41.900 40.800 0.102 0.000 1.203 80 D HN 0.056 8.547 8.370 0.203 0.000 0.430 81 L N 0.939 122.299 121.223 0.228 0.000 2.319 81 L HA 1.036 5.768 4.340 0.300 -0.212 0.267 81 L C -0.783 176.287 176.870 0.333 0.000 1.011 81 L CA -1.683 53.311 54.840 0.257 0.000 0.818 81 L CB 3.097 45.251 42.059 0.158 0.000 1.316 81 L HN 0.192 8.546 8.230 0.206 0.000 0.432 82 Y N -3.095 117.248 120.300 0.071 0.000 2.715 82 Y HA 0.366 5.019 4.550 0.041 -0.079 0.331 82 Y C -3.299 172.609 175.900 0.013 0.000 1.197 82 Y CA -1.904 56.218 58.100 0.037 0.000 1.079 82 Y CB 2.456 40.927 38.460 0.017 0.000 1.298 82 Y HN 0.659 9.116 8.280 0.295 0.000 0.477 83 A N -3.044 119.723 122.820 -0.088 0.000 2.515 83 A HA 0.622 4.697 4.320 -0.407 0.000 0.296 83 A C -3.014 174.523 177.584 -0.078 0.000 1.094 83 A CA -3.113 48.790 52.037 -0.223 0.000 0.718 83 A CB 1.504 20.442 19.000 -0.103 0.000 1.307 83 A HN 0.302 8.513 8.150 0.101 0.000 0.408 84 P HA -0.110 4.372 4.420 0.104 0.000 0.262 84 P C 0.502 177.827 177.300 0.040 0.000 1.199 84 P CA 1.592 64.703 63.100 0.019 0.000 0.763 84 P CB -0.498 31.189 31.700 -0.022 0.000 0.790 85 G N 2.721 111.570 108.800 0.080 0.000 2.157 85 G HA2 -0.330 3.642 3.960 0.019 0.000 0.239 85 G HA3 -0.330 3.651 3.960 0.035 0.000 0.239 85 G C -1.245 173.671 174.900 0.026 0.000 0.982 85 G CA -0.239 44.884 45.100 0.038 0.000 0.650 85 G HN 0.249 8.615 8.290 0.128 0.000 0.527 86 L N -0.298 120.957 121.223 0.053 0.000 2.362 86 L HA 0.247 4.566 4.340 -0.035 0.000 0.271 86 L C -0.165 176.718 176.870 0.022 0.000 1.002 86 L CA -1.248 53.590 54.840 -0.003 0.000 0.818 86 L CB 1.424 43.454 42.059 -0.048 0.000 1.298 86 L HN -0.330 7.912 8.230 0.106 0.051 0.420 87 N N 2.101 120.770 118.700 -0.051 0.000 2.166 87 N HA -0.277 4.467 4.740 0.007 0.000 0.186 87 N C -1.280 174.312 175.510 0.137 0.000 1.019 87 N CA 2.717 55.778 53.050 0.017 0.000 0.856 87 N CB 0.629 39.148 38.487 0.053 0.000 0.993 87 N HN 0.427 8.745 8.380 -0.104 0.000 0.426 88 F N -8.991 110.943 119.950 -0.027 0.000 2.773 88 F HA 0.308 5.006 4.527 0.065 -0.132 0.314 88 F C -2.523 173.229 175.800 -0.079 0.000 1.160 88 F CA -1.715 56.267 58.000 -0.030 0.000 0.920 88 F CB 2.593 41.523 39.000 -0.115 0.000 1.323 88 F HN -0.989 7.086 8.300 -0.375 0.000 0.457 89 V N -6.832 113.157 119.914 0.125 0.000 2.925 89 V HA 0.420 4.366 4.120 -0.291 0.000 0.311 89 V C -1.227 174.987 176.094 0.200 0.000 1.104 89 V CA -2.171 60.125 62.300 -0.006 0.000 0.954 89 V CB 3.139 34.995 31.823 0.055 0.000 1.022 89 V HN 0.106 8.372 8.190 0.290 0.098 0.427 90 F N 0.318 120.459 119.950 0.319 0.000 2.456 90 F HA 0.127 4.795 4.527 0.235 0.000 0.298 90 F C 0.506 176.397 175.800 0.151 0.000 1.104 90 F CA 2.382 60.518 58.000 0.227 0.000 1.435 90 F CB 0.242 39.332 39.000 0.150 0.000 1.078 90 F HN 0.786 9.118 8.300 0.054 0.000 0.546 91 G N -6.487 102.507 108.800 0.322 0.000 2.441 91 G HA2 0.104 4.254 3.960 0.245 0.000 0.294 91 G HA3 0.104 4.215 3.960 0.184 -0.042 0.294 91 G C -2.728 172.296 174.900 0.206 0.000 1.393 91 G CA 0.307 45.547 45.100 0.234 0.000 0.796 91 G HN -1.030 7.408 8.290 0.302 0.033 0.494 92 Q N -2.293 117.605 119.800 0.163 0.000 2.522 92 Q HA 0.191 4.678 4.340 0.152 -0.056 0.285 92 Q C -2.515 173.553 176.000 0.113 0.000 0.982 92 Q CA -0.566 55.311 55.803 0.123 0.000 0.805 92 Q CB 3.943 32.709 28.738 0.046 0.000 1.457 92 Q HN 0.462 8.820 8.270 0.147 0.000 0.394 93 A N 0.777 123.643 122.820 0.076 0.000 2.539 93 A HA 0.592 5.078 4.320 0.068 -0.125 0.296 93 A C -1.269 176.313 177.584 -0.005 0.000 1.073 93 A CA -1.121 50.956 52.037 0.067 0.000 0.700 93 A CB 2.934 22.026 19.000 0.153 0.000 1.296 93 A HN 0.340 8.507 8.150 0.029 0.000 0.405 94 R N -0.875 119.622 120.500 -0.005 0.000 2.489 94 R HA 0.007 4.323 4.340 -0.040 0.000 0.287 94 R C -1.247 175.029 176.300 -0.039 0.000 1.053 94 R CA -0.695 55.386 56.100 -0.031 0.000 1.036 94 R CB 0.428 30.712 30.300 -0.027 0.000 0.966 94 R HN 0.101 8.375 8.270 0.007 0.000 0.432 95 C N 4.731 123.993 119.300 -0.063 0.000 2.437 95 C HA 0.652 5.304 4.460 -0.025 -0.207 0.307 95 C C -1.611 173.349 174.990 -0.050 0.000 1.093 95 C CA -3.580 55.403 59.018 -0.058 0.000 1.463 95 C CB 1.752 29.410 27.740 -0.135 0.000 1.926 95 C HN 0.407 8.594 8.230 -0.072 0.000 0.420 96 P HA 0.746 5.392 4.420 -0.042 -0.252 0.279 96 P C -1.751 175.513 177.300 -0.060 0.000 1.276 96 P CA -1.042 62.031 63.100 -0.045 0.000 0.801 96 P CB 2.044 33.723 31.700 -0.035 0.000 1.127 97 G N -1.172 107.571 108.800 -0.095 0.000 2.323 97 G HA2 -0.062 3.865 3.960 -0.055 0.000 0.291 97 G HA3 -0.062 3.858 3.960 -0.066 0.000 0.291 97 G C -2.547 172.288 174.900 -0.108 0.000 1.278 97 G CA 0.580 45.634 45.100 -0.078 0.000 0.860 97 G HN -0.439 7.766 8.290 -0.141 0.000 0.504 98 R N -0.643 119.821 120.500 -0.060 0.000 2.225 98 R HA 0.140 4.432 4.340 -0.081 0.000 0.194 98 R C -1.460 174.827 176.300 -0.022 0.000 0.957 98 R CA 0.690 56.762 56.100 -0.046 0.000 1.042 98 R CB 1.699 31.997 30.300 -0.003 0.000 1.004 98 R HN 0.137 8.386 8.270 -0.036 0.000 0.509 99 E N -2.858 117.338 120.200 -0.006 0.000 2.207 99 E HA 0.981 5.592 4.350 0.024 -0.247 0.270 99 E C -1.669 174.950 176.600 0.032 0.000 0.927 99 E CA -1.282 55.130 56.400 0.021 0.000 0.799 99 E CB 2.656 32.379 29.700 0.038 0.000 1.172 99 E HN -0.410 7.944 8.360 -0.011 0.000 0.404 100 A N 1.518 124.370 122.820 0.053 0.000 2.594 100 A HA 0.978 5.490 4.320 0.078 -0.145 0.291 100 A C -2.978 174.656 177.584 0.085 0.000 1.105 100 A CA -1.512 50.571 52.037 0.076 0.000 0.694 100 A CB 4.394 23.450 19.000 0.094 0.000 1.291 100 A HN 0.674 8.854 8.150 0.051 0.000 0.410 101 V N -1.203 118.768 119.914 0.094 0.000 2.932 101 V HA 0.760 5.210 4.120 0.105 -0.266 0.307 101 V C -2.771 173.381 176.094 0.096 0.000 1.147 101 V CA -2.303 60.056 62.300 0.098 0.000 0.951 101 V CB 4.512 36.386 31.823 0.085 0.000 1.031 101 V HN 0.423 8.675 8.190 0.104 0.000 0.426 102 V N 7.002 126.964 119.914 0.080 0.000 2.735 102 V HA 0.581 4.946 4.120 0.134 -0.164 0.310 102 V C -2.027 174.122 176.094 0.092 0.000 1.061 102 V CA -2.128 60.227 62.300 0.091 0.000 0.913 102 V CB 4.324 36.165 31.823 0.030 0.000 1.005 102 V HN 0.537 8.770 8.190 0.073 0.000 0.428 103 S N 3.434 119.215 115.700 0.135 0.000 2.475 103 S HA 0.657 5.383 4.470 0.100 -0.197 0.298 103 S C 0.944 175.631 174.600 0.145 0.000 1.119 103 S CA -2.199 56.078 58.200 0.130 0.000 1.085 103 S CB 1.126 64.415 63.200 0.149 0.000 1.028 103 S HN 0.571 8.883 8.310 0.182 0.107 0.489 104 V N 2.222 122.212 119.914 0.126 0.000 3.623 104 V HA 0.077 4.274 4.120 0.127 0.000 0.271 104 V C 0.055 176.247 176.094 0.164 0.000 1.248 104 V CA -0.449 61.945 62.300 0.156 0.000 1.156 104 V CB -0.754 31.206 31.823 0.229 0.000 0.870 104 V HN 0.628 8.888 8.190 0.117 0.000 0.453 105 A N 1.270 124.167 122.820 0.127 0.000 1.908 105 A HA -0.236 4.128 4.320 0.073 0.000 0.218 105 A C 1.087 178.705 177.584 0.056 0.000 1.181 105 A CA 2.839 54.925 52.037 0.082 0.000 0.627 105 A CB -0.306 18.735 19.000 0.068 0.000 0.818 105 A HN -0.384 7.782 8.150 0.129 0.061 0.445 106 R N -3.354 117.195 120.500 0.081 0.000 2.334 106 R HA 0.047 4.376 4.340 -0.019 0.000 0.216 106 R C 0.353 176.724 176.300 0.119 0.000 0.905 106 R CA 0.779 56.909 56.100 0.050 0.000 1.064 106 R CB 0.082 30.351 30.300 -0.053 0.000 1.046 106 R HN 0.224 8.565 8.270 0.137 0.010 0.508 107 L N -1.738 119.560 121.223 0.124 0.000 2.529 107 L HA 0.003 4.345 4.340 0.003 0.000 0.223 107 L C -0.203 176.791 176.870 0.206 0.000 1.113 107 L CA -0.102 54.785 54.840 0.079 0.000 0.861 107 L CB 0.505 42.564 42.059 0.000 0.000 1.012 107 L HN -0.455 7.681 8.230 0.147 0.182 0.461 108 L N -0.261 121.073 121.223 0.185 0.000 2.593 108 L HA -0.357 4.013 4.340 0.050 0.000 0.287 108 L C -0.887 176.010 176.870 0.045 0.000 1.243 108 L CA 1.420 56.306 54.840 0.076 0.000 0.890 108 L CB -0.133 41.903 42.059 -0.038 0.000 1.134 108 L HN -0.895 7.420 8.230 0.141 0.000 0.502 109 D N 2.146 122.544 120.400 -0.003 0.000 2.753 109 D HA 0.234 4.865 4.640 -0.014 0.000 0.224 109 D C -1.795 174.470 176.300 -0.059 0.000 1.213 109 D CA -2.304 51.693 54.000 -0.004 0.000 0.833 109 D CB 2.803 43.634 40.800 0.052 0.000 1.607 109 D HN -0.116 8.204 8.370 -0.083 0.000 0.463 110 P HA -0.124 4.252 4.420 -0.073 0.000 0.220 110 P C -1.029 176.254 177.300 -0.029 0.000 1.148 110 P CA 1.083 64.153 63.100 -0.050 0.000 0.803 110 P CB 0.294 31.974 31.700 -0.033 0.000 0.782 111 D N -1.106 119.293 120.400 -0.002 0.000 2.336 111 D HA 0.250 4.895 4.640 0.009 0.000 0.249 111 D C -0.740 175.592 176.300 0.053 0.000 1.213 111 D CA -3.079 50.932 54.000 0.017 0.000 0.870 111 D CB 1.177 41.987 40.800 0.017 0.000 1.076 111 D HN -0.460 8.213 8.370 0.003 -0.301 0.483 112 P HA -0.109 4.398 4.420 0.145 0.000 0.217 112 P C 1.378 178.754 177.300 0.126 0.000 1.150 112 P CA 1.737 64.901 63.100 0.106 0.000 0.832 112 P CB 0.659 32.398 31.700 0.065 0.000 0.787 113 E N -2.489 117.750 120.200 0.064 0.000 2.106 113 E HA -0.229 4.141 4.350 0.033 0.000 0.192 113 E C 2.231 178.846 176.600 0.024 0.000 0.984 113 E CA 2.628 59.049 56.400 0.035 0.000 0.806 113 E CB -0.668 29.041 29.700 0.016 0.000 0.750 113 E HN -0.369 8.186 8.360 0.048 -0.166 0.458 114 L N 0.243 121.489 121.223 0.038 0.000 2.056 114 L HA -0.283 4.052 4.340 -0.009 0.000 0.207 114 L C 1.393 178.283 176.870 0.034 0.000 1.078 114 L CA 2.545 57.398 54.840 0.020 0.000 0.749 114 L CB -0.445 41.629 42.059 0.025 0.000 0.901 114 L HN -0.798 7.659 8.230 0.045 -0.200 0.433 115 Y N -0.140 120.135 120.300 -0.042 0.000 2.145 115 Y HA -0.331 4.186 4.550 -0.055 0.000 0.286 115 Y C 1.922 177.794 175.900 -0.047 0.000 1.145 115 Y CA 3.161 61.234 58.100 -0.045 0.000 1.148 115 Y CB -0.171 38.270 38.460 -0.032 0.000 0.981 115 Y HN -0.261 8.150 8.280 0.218 0.000 0.507 116 L N -2.532 118.591 121.223 -0.165 0.000 2.046 116 L HA -0.545 3.520 4.340 -0.458 0.000 0.208 116 L C 1.923 178.660 176.870 -0.221 0.000 1.077 116 L CA 3.091 57.776 54.840 -0.259 0.000 0.747 116 L CB -0.523 41.498 42.059 -0.063 0.000 0.896 116 L HN 0.214 8.472 8.230 0.047 0.000 0.432 117 E N -0.417 119.694 120.200 -0.148 0.000 2.110 117 E HA -0.427 3.831 4.350 -0.153 0.000 0.193 117 E C 2.310 178.800 176.600 -0.182 0.000 0.988 117 E CA 3.495 59.806 56.400 -0.148 0.000 0.804 117 E CB -0.335 29.301 29.700 -0.107 0.000 0.745 117 E HN -0.255 8.042 8.360 -0.105 0.000 0.458 118 R N -1.297 119.081 120.500 -0.204 0.000 2.081 118 R HA -0.338 3.870 4.340 -0.220 0.000 0.235 118 R C 2.593 178.734 176.300 -0.264 0.000 1.131 118 R CA 3.657 59.616 56.100 -0.234 0.000 0.960 118 R CB 0.012 30.177 30.300 -0.225 0.000 0.856 118 R HN -0.466 7.689 8.270 -0.192 0.000 0.436 119 V N 0.132 119.847 119.914 -0.331 0.000 2.358 119 V HA -0.387 3.580 4.120 -0.255 0.000 0.246 119 V C 1.710 177.690 176.094 -0.190 0.000 1.047 119 V CA 4.455 66.575 62.300 -0.299 0.000 1.035 119 V CB -0.382 31.187 31.823 -0.425 0.000 0.658 119 V HN -0.356 7.585 8.190 -0.415 0.000 0.452 120 V N 0.536 120.361 119.914 -0.148 0.000 2.332 120 V HA -0.600 3.577 4.120 0.095 0.000 0.248 120 V C 1.826 177.920 176.094 -0.000 0.000 1.055 120 V CA 5.293 67.585 62.300 -0.012 0.000 1.038 120 V CB -0.607 31.181 31.823 -0.058 0.000 0.651 120 V HN 0.131 8.210 8.190 -0.185 0.000 0.450 121 K N -0.152 120.188 120.400 -0.101 0.000 2.009 121 K HA -0.414 3.863 4.320 -0.071 0.000 0.210 121 K C 2.470 179.060 176.600 -0.017 0.000 1.049 121 K CA 4.120 60.358 56.287 -0.082 0.000 0.929 121 K CB -0.307 32.111 32.500 -0.136 0.000 0.714 121 K HN -0.046 8.117 8.250 -0.146 0.000 0.440 122 E N -1.091 119.068 120.200 -0.069 0.000 2.152 122 E HA -0.172 4.199 4.350 0.035 0.000 0.192 122 E C 2.575 179.220 176.600 0.074 0.000 0.983 122 E CA 1.932 58.329 56.400 -0.006 0.000 0.818 122 E CB -0.377 29.272 29.700 -0.084 0.000 0.758 122 E HN -0.430 7.853 8.360 -0.128 0.000 0.467 123 L N -0.426 120.782 121.223 -0.025 0.000 2.046 123 L HA -0.424 3.849 4.340 -0.111 0.000 0.208 123 L C 2.214 179.193 176.870 0.181 0.000 1.077 123 L CA 3.658 58.426 54.840 -0.121 0.000 0.747 123 L CB -0.428 41.227 42.059 -0.673 0.000 0.896 123 L HN 0.434 8.618 8.230 -0.077 0.000 0.432 124 T N 0.773 115.535 114.554 0.347 0.000 2.821 124 T HA -0.387 4.337 4.350 0.624 0.000 0.267 124 T C 2.002 176.843 174.700 0.234 0.000 1.046 124 T CA 5.111 67.457 62.100 0.410 0.000 1.139 124 T CB -0.381 68.653 68.868 0.277 0.000 0.871 124 T HN -0.101 8.303 8.240 0.273 0.000 0.454 125 H N 3.533 122.636 119.070 0.056 0.000 2.293 125 H HA -0.277 4.253 4.556 -0.043 0.000 0.300 125 H C 2.303 177.669 175.328 0.062 0.000 1.082 125 H CA 3.833 59.893 56.048 0.020 0.000 1.308 125 H CB 0.306 30.099 29.762 0.051 0.000 1.375 125 H HN 0.096 8.521 8.280 0.242 0.000 0.495 126 E N -1.555 118.834 120.200 0.314 0.000 2.150 126 E HA -0.305 4.298 4.350 0.421 0.000 0.193 126 E C 2.352 179.089 176.600 0.228 0.000 0.985 126 E CA 2.085 58.673 56.400 0.314 0.000 0.814 126 E CB -0.406 29.469 29.700 0.291 0.000 0.752 126 E HN -0.205 8.363 8.360 0.346 0.000 0.466 127 L N 0.200 121.585 121.223 0.270 0.000 2.046 127 L HA -0.217 4.284 4.340 0.267 0.000 0.208 127 L C 2.285 179.380 176.870 0.375 0.000 1.077 127 L CA 2.893 57.940 54.840 0.345 0.000 0.747 127 L CB -0.366 42.012 42.059 0.532 0.000 0.896 127 L HN 0.116 8.447 8.230 0.293 0.074 0.432 128 G N -1.927 107.073 108.800 0.334 0.000 2.469 128 G HA2 -0.422 3.684 3.960 0.244 0.000 0.219 128 G HA3 -0.422 3.711 3.960 0.289 0.000 0.219 128 G C 1.230 176.198 174.900 0.112 0.000 1.150 128 G CA 2.420 47.672 45.100 0.253 0.000 0.763 128 G HN 0.263 8.667 8.290 0.316 0.076 0.561 129 H N 2.669 121.770 119.070 0.052 0.000 2.387 129 H HA 0.112 4.875 4.556 -0.060 -0.243 0.299 129 H C 3.510 178.823 175.328 -0.026 0.000 1.090 129 H CA 1.983 58.015 56.048 -0.027 0.000 1.332 129 H CB -0.141 29.593 29.762 -0.047 0.000 1.386 129 H HN -0.416 7.728 8.280 -0.092 0.081 0.516 130 T N -0.343 114.263 114.554 0.087 0.000 2.929 130 T HA -0.191 4.355 4.350 -0.077 -0.242 0.271 130 T C 0.941 175.469 174.700 -0.287 0.000 1.085 130 T CA 3.150 65.175 62.100 -0.125 0.000 1.125 130 T CB -0.331 68.401 68.868 -0.227 0.000 0.874 130 T HN -0.249 7.965 8.240 0.123 0.099 0.494 131 F N -0.051 119.913 119.950 0.023 0.000 2.664 131 F HA -0.051 4.471 4.527 -0.009 0.000 0.301 131 F C 0.272 176.055 175.800 -0.027 0.000 1.126 131 F CA -0.030 57.959 58.000 -0.019 0.000 1.373 131 F CB -0.506 38.452 39.000 -0.070 0.000 1.042 131 F HN -0.676 7.565 8.300 0.140 0.143 0.535 132 G N -1.529 107.329 108.800 0.096 0.000 2.179 132 G HA2 -0.407 3.583 3.960 0.051 0.000 0.260 132 G HA3 -0.407 3.574 3.960 0.036 0.000 0.260 132 G C -0.202 174.734 174.900 0.059 0.000 0.977 132 G CA 0.110 45.246 45.100 0.059 0.000 0.641 132 G HN -0.131 8.007 8.290 0.070 0.194 0.533 133 L N 1.958 123.223 121.223 0.070 0.000 2.455 133 L HA -0.025 4.323 4.340 0.015 0.000 0.272 133 L C 0.145 177.054 176.870 0.064 0.000 1.174 133 L CA 1.108 55.964 54.840 0.026 0.000 0.869 133 L CB -0.130 41.916 42.059 -0.022 0.000 1.130 133 L HN -0.682 7.543 8.230 0.093 0.061 0.474 134 G N 1.419 110.235 108.800 0.028 0.000 2.583 134 G HA2 0.015 3.964 3.960 -0.017 0.000 0.280 134 G HA3 0.015 3.972 3.960 -0.004 0.000 0.280 134 G C -1.287 173.617 174.900 0.008 0.000 1.376 134 G CA -1.058 44.039 45.100 -0.005 0.000 1.043 134 G HN -0.109 8.193 8.290 0.020 0.000 0.538 135 H N -2.146 117.029 119.070 0.176 0.000 2.764 135 H HA -0.101 4.758 4.556 0.192 -0.188 0.341 135 H C 0.078 175.484 175.328 0.130 0.000 1.072 135 H CA 0.127 56.284 56.048 0.183 0.000 1.444 135 H CB 0.640 30.530 29.762 0.213 0.000 1.458 135 H HN -0.088 8.176 8.280 -0.026 0.000 0.572 136 C N 5.535 125.001 119.300 0.277 0.000 2.341 136 C HA 0.437 4.984 4.460 0.144 0.000 0.338 136 C C -0.521 174.564 174.990 0.158 0.000 1.257 136 C CA -3.929 55.193 59.018 0.174 0.000 1.883 136 C CB 0.402 28.229 27.740 0.145 0.000 2.334 136 C HN 0.156 8.464 8.230 0.322 0.115 0.524 137 P HA -0.121 4.363 4.420 0.105 0.000 0.221 137 P C -1.286 176.062 177.300 0.081 0.000 1.150 137 P CA 0.692 63.850 63.100 0.097 0.000 0.800 137 P CB 0.274 32.020 31.700 0.076 0.000 0.787 138 D N -0.579 119.868 120.400 0.078 0.000 2.363 138 D HA -0.110 4.563 4.640 0.055 0.000 0.263 138 D C 0.982 177.320 176.300 0.063 0.000 1.258 138 D CA -0.103 53.936 54.000 0.064 0.000 0.907 138 D CB 0.477 41.315 40.800 0.064 0.000 1.107 138 D HN -0.631 7.766 8.370 0.083 0.023 0.495 139 R N 5.787 126.316 120.500 0.048 0.000 2.316 139 R HA -0.220 4.147 4.340 0.046 0.000 0.202 139 R C 0.743 177.059 176.300 0.027 0.000 1.029 139 R CA 1.584 57.706 56.100 0.038 0.000 1.018 139 R CB -0.303 30.012 30.300 0.025 0.000 0.888 139 R HN 0.352 8.648 8.270 0.043 0.000 0.471 140 N N -1.426 117.292 118.700 0.029 0.000 2.353 140 N HA -0.033 4.714 4.740 0.011 0.000 0.185 140 N C -0.998 174.525 175.510 0.021 0.000 1.098 140 N CA 0.557 53.619 53.050 0.021 0.000 0.872 140 N CB 1.115 39.616 38.487 0.024 0.000 0.970 140 N HN -0.415 8.238 8.380 0.035 -0.251 0.467 141 C N 0.235 119.556 119.300 0.035 0.000 2.536 141 C HA 0.274 4.864 4.460 0.016 -0.121 0.396 141 C C 1.774 176.767 174.990 0.005 0.000 1.279 141 C CA -0.169 58.866 59.018 0.028 0.000 2.148 141 C CB -0.177 27.603 27.740 0.067 0.000 2.584 141 C HN -0.377 7.720 8.230 0.046 0.160 0.579 142 V N 8.003 127.860 119.914 -0.095 0.000 2.720 142 V HA -0.173 3.997 4.120 -0.051 -0.081 0.256 142 V C 0.217 176.343 176.094 0.053 0.000 1.082 142 V CA 2.774 65.003 62.300 -0.118 0.000 1.101 142 V CB 0.764 32.362 31.823 -0.375 0.000 0.693 142 V HN 0.578 8.673 8.190 -0.159 0.000 0.479 143 M N -3.500 116.125 119.600 0.042 0.000 2.561 143 M HA 0.065 4.531 4.480 -0.023 0.000 0.238 143 M C 0.156 176.656 176.300 0.334 0.000 1.131 143 M CA -2.405 52.960 55.300 0.108 0.000 1.046 143 M CB -1.801 30.841 32.600 0.071 0.000 1.532 143 M HN -0.721 7.535 8.290 0.007 0.038 0.497 144 S N 1.769 117.627 115.700 0.263 0.000 2.552 144 S HA -0.198 4.608 4.470 0.243 -0.191 0.289 144 S C -1.023 173.765 174.600 0.313 0.000 1.304 144 S CA 0.227 58.571 58.200 0.240 0.000 1.063 144 S CB 0.585 63.854 63.200 0.115 0.000 0.848 144 S HN -0.624 7.629 8.310 0.180 0.165 0.499 145 F N 8.222 128.169 119.950 -0.005 0.000 2.444 145 F HA 0.056 4.454 4.527 -0.215 0.000 0.360 145 F C -1.140 174.577 175.800 -0.139 0.000 1.106 145 F CA -0.144 57.699 58.000 -0.263 0.000 1.170 145 F CB 0.330 38.892 39.000 -0.729 0.000 1.113 145 F HN 0.369 8.820 8.300 0.251 0.000 0.521 146 S N 6.976 122.380 115.700 -0.493 0.000 2.437 146 S HA 0.325 4.733 4.470 -0.395 -0.174 0.305 146 S C -0.402 173.885 174.600 -0.522 0.000 1.109 146 S CA -1.154 56.799 58.200 -0.412 0.000 1.099 146 S CB 1.901 65.014 63.200 -0.144 0.000 1.004 146 S HN -0.051 8.063 8.310 -0.327 0.000 0.475 147 S N 2.246 117.647 115.700 -0.499 0.000 2.650 147 S HA 0.259 4.428 4.470 -0.501 0.000 0.240 147 S C -0.493 174.106 174.600 -0.001 0.000 1.007 147 S CA -0.393 57.548 58.200 -0.432 0.000 0.984 147 S CB 0.787 63.633 63.200 -0.591 0.000 0.910 147 S HN 0.575 9.001 8.310 -0.430 -0.374 0.509 148 S N -0.568 115.268 115.700 0.226 0.000 2.625 148 S HA 0.196 4.937 4.470 0.452 0.000 0.271 148 S C -0.387 174.398 174.600 0.308 0.000 1.161 148 S CA -1.347 57.047 58.200 0.323 0.000 0.820 148 S CB 2.220 65.495 63.200 0.126 0.000 1.137 148 S HN -0.750 7.614 8.310 0.177 0.053 0.470 149 L N 0.565 121.923 121.223 0.224 0.000 2.093 149 L HA -0.215 4.106 4.340 -0.032 0.000 0.208 149 L C 1.639 178.508 176.870 -0.001 0.000 1.085 149 L CA 3.188 58.060 54.840 0.052 0.000 0.755 149 L CB -0.662 41.419 42.059 0.037 0.000 0.904 149 L HN 0.563 8.926 8.230 0.222 0.000 0.435 150 L N -1.069 120.166 121.223 0.021 0.000 2.043 150 L HA -0.455 3.880 4.340 -0.009 0.000 0.212 150 L C 1.236 178.093 176.870 -0.021 0.000 1.075 150 L CA 3.259 58.098 54.840 -0.002 0.000 0.752 150 L CB -0.464 41.598 42.059 0.005 0.000 0.891 150 L HN -0.066 8.189 8.230 0.043 0.000 0.432 151 E N -1.907 118.280 120.200 -0.021 0.000 2.112 151 E HA -0.297 4.027 4.350 -0.043 0.000 0.190 151 E C 2.539 179.094 176.600 -0.076 0.000 0.979 151 E CA 3.035 59.405 56.400 -0.049 0.000 0.814 151 E CB -0.005 29.650 29.700 -0.074 0.000 0.762 151 E HN -0.752 7.502 8.360 0.001 0.107 0.460 152 V N 0.722 120.571 119.914 -0.109 0.000 2.295 152 V HA -0.432 3.581 4.120 -0.179 0.000 0.246 152 V C 1.965 177.983 176.094 -0.127 0.000 1.049 152 V CA 4.415 66.608 62.300 -0.179 0.000 1.024 152 V CB -0.216 31.406 31.823 -0.335 0.000 0.648 152 V HN -0.539 7.596 8.190 -0.092 0.000 0.447 153 D N -1.564 118.777 120.400 -0.097 0.000 2.183 153 D HA -0.148 4.442 4.640 -0.084 0.000 0.203 153 D C 2.228 178.497 176.300 -0.053 0.000 0.969 153 D CA 2.675 56.632 54.000 -0.073 0.000 0.842 153 D CB -0.283 40.486 40.800 -0.053 0.000 0.957 153 D HN 0.041 8.358 8.370 -0.087 0.000 0.484 154 R N -0.547 119.927 120.500 -0.044 0.000 2.073 154 R HA -0.222 4.103 4.340 -0.024 0.000 0.229 154 R C 0.405 176.688 176.300 -0.028 0.000 1.120 154 R CA 1.943 58.025 56.100 -0.029 0.000 0.967 154 R CB 0.557 30.843 30.300 -0.022 0.000 0.862 154 R HN -0.563 7.663 8.270 -0.047 0.016 0.436 155 K N -1.496 118.882 120.400 -0.037 0.000 2.168 155 K HA -0.008 4.398 4.320 -0.014 -0.094 0.258 155 K C -0.668 175.911 176.600 -0.036 0.000 1.010 155 K CA -0.643 55.627 56.287 -0.027 0.000 0.929 155 K CB 1.248 33.734 32.500 -0.024 0.000 0.998 155 K HN -0.767 7.454 8.250 -0.048 0.000 0.479 156 S N -0.707 114.979 115.700 -0.023 0.000 2.632 156 S HA 0.237 4.690 4.470 -0.028 0.000 0.267 156 S C -0.714 173.857 174.600 -0.048 0.000 1.276 156 S CA -2.468 55.718 58.200 -0.023 0.000 0.998 156 S CB 0.121 63.327 63.200 0.010 0.000 0.953 156 S HN 0.275 8.449 8.310 -0.012 0.128 0.547 157 P HA 0.098 4.452 4.420 -0.111 0.000 0.245 157 P C -1.132 176.210 177.300 0.069 0.000 1.212 157 P CA -0.028 63.022 63.100 -0.083 0.000 0.774 157 P CB 0.173 31.708 31.700 -0.276 0.000 0.999 158 N N 0.174 118.915 118.700 0.068 0.000 2.492 158 N HA 0.189 5.066 4.740 0.228 0.000 0.289 158 N C -1.395 174.037 175.510 -0.131 0.000 1.133 158 N CA -1.218 51.903 53.050 0.119 0.000 0.961 158 N CB 2.487 41.125 38.487 0.251 0.000 1.186 158 N HN -0.484 7.852 8.380 0.046 0.072 0.493 159 F N -0.220 119.677 119.950 -0.089 0.000 2.456 159 F HA 0.022 4.479 4.527 -0.117 0.000 0.358 159 F C 1.339 177.136 175.800 -0.005 0.000 1.095 159 F CA 1.036 58.942 58.000 -0.156 0.000 1.216 159 F CB 0.077 38.816 39.000 -0.435 0.000 1.125 159 F HN -0.531 7.713 8.300 -0.093 0.000 0.549 160 C N 4.027 123.427 119.300 0.167 0.000 2.767 160 C HA -0.009 4.519 4.460 0.115 0.000 0.353 160 C C 0.823 175.886 174.990 0.123 0.000 1.376 160 C CA -1.474 57.618 59.018 0.124 0.000 2.284 160 C CB 2.178 29.973 27.740 0.092 0.000 2.535 160 C HN -0.055 8.265 8.230 0.151 0.000 0.745 161 R N 1.838 122.392 120.500 0.089 0.000 2.094 161 R HA -0.516 3.870 4.340 0.077 0.000 0.239 161 R C 1.978 178.309 176.300 0.052 0.000 1.137 161 R CA 4.329 60.471 56.100 0.069 0.000 0.943 161 R CB -0.178 30.152 30.300 0.050 0.000 0.850 161 R HN 0.638 8.956 8.270 0.080 0.000 0.433 162 R N -1.896 118.632 120.500 0.048 0.000 2.083 162 R HA -0.270 4.084 4.340 0.022 0.000 0.237 162 R C 2.140 178.451 176.300 0.018 0.000 1.137 162 R CA 3.375 59.494 56.100 0.032 0.000 0.951 162 R CB -0.333 29.989 30.300 0.037 0.000 0.851 162 R HN -0.015 8.287 8.270 0.053 0.000 0.434 163 C N -1.480 117.846 119.300 0.042 0.000 2.450 163 C HA -0.044 4.403 4.460 -0.022 0.000 0.279 163 C C 2.072 176.984 174.990 -0.129 0.000 1.335 163 C CA 3.514 62.533 59.018 0.002 0.000 1.749 163 C CB -1.737 26.089 27.740 0.143 0.000 1.963 163 C HN -0.430 7.845 8.230 0.075 0.000 0.501 164 T N 3.186 117.711 114.554 -0.049 0.000 2.708 164 T HA -0.387 3.819 4.350 -0.240 0.000 0.266 164 T C 1.709 176.352 174.700 -0.095 0.000 1.037 164 T CA 5.572 67.623 62.100 -0.082 0.000 1.146 164 T CB -0.653 68.282 68.868 0.110 0.000 0.865 164 T HN 0.247 8.511 8.240 0.040 0.000 0.435 165 E N 1.807 121.979 120.200 -0.047 0.000 2.077 165 E HA -0.334 3.990 4.350 -0.043 0.000 0.193 165 E C 2.605 179.162 176.600 -0.072 0.000 0.989 165 E CA 3.201 59.573 56.400 -0.046 0.000 0.800 165 E CB -0.217 29.471 29.700 -0.019 0.000 0.746 165 E HN -0.564 7.784 8.360 -0.020 0.000 0.452 166 L N -1.449 119.726 121.223 -0.079 0.000 2.046 166 L HA -0.310 3.996 4.340 -0.057 0.000 0.208 166 L C 2.465 179.256 176.870 -0.131 0.000 1.077 166 L CA 3.083 57.874 54.840 -0.082 0.000 0.747 166 L CB -0.308 41.712 42.059 -0.065 0.000 0.896 166 L HN -0.092 8.096 8.230 -0.070 0.000 0.432 167 L N -1.324 119.759 121.223 -0.235 0.000 2.056 167 L HA -0.277 3.881 4.340 -0.304 0.000 0.207 167 L C 2.022 178.718 176.870 -0.289 0.000 1.078 167 L CA 3.055 57.682 54.840 -0.354 0.000 0.749 167 L CB -0.266 41.396 42.059 -0.662 0.000 0.901 167 L HN 0.152 8.226 8.230 -0.260 0.000 0.433 168 Q N -2.230 117.443 119.800 -0.211 0.000 2.167 168 Q HA -0.319 3.919 4.340 -0.169 0.000 0.202 168 Q C 2.728 178.668 176.000 -0.101 0.000 0.970 168 Q CA 2.559 58.275 55.803 -0.146 0.000 0.855 168 Q CB -0.557 28.124 28.738 -0.095 0.000 0.911 168 Q HN -0.041 8.113 8.270 -0.194 0.000 0.438 169 R N 0.191 120.640 120.500 -0.084 0.000 2.075 169 R HA -0.323 3.993 4.340 -0.041 0.000 0.232 169 R C 2.052 178.330 176.300 -0.037 0.000 1.126 169 R CA 3.354 59.424 56.100 -0.050 0.000 0.963 169 R CB -0.080 30.196 30.300 -0.040 0.000 0.858 169 R HN -0.049 8.060 8.270 -0.093 0.104 0.435 170 N N -2.035 116.640 118.700 -0.042 0.000 2.409 170 N HA -0.118 4.632 4.740 0.016 0.000 0.179 170 N C 2.375 177.899 175.510 0.024 0.000 1.032 170 N CA 2.084 55.138 53.050 0.006 0.000 0.898 170 N CB -0.166 38.344 38.487 0.039 0.000 0.971 170 N HN -0.156 8.183 8.380 -0.068 0.000 0.441 171 L N 0.226 121.418 121.223 -0.052 0.000 2.131 171 L HA -0.172 4.174 4.340 0.009 0.000 0.206 171 L C 1.494 178.355 176.870 -0.014 0.000 1.087 171 L CA 2.387 57.196 54.840 -0.052 0.000 0.767 171 L CB -0.071 41.888 42.059 -0.167 0.000 0.917 171 L HN -0.067 7.969 8.230 -0.101 0.133 0.441 172 K N -1.225 119.160 120.400 -0.026 0.000 2.189 172 K HA -0.277 4.033 4.320 -0.018 0.000 0.207 172 K C 0.506 177.108 176.600 0.002 0.000 1.046 172 K CA 1.977 58.255 56.287 -0.014 0.000 0.928 172 K CB -0.166 32.324 32.500 -0.017 0.000 0.720 172 K HN -0.595 7.631 8.250 -0.040 0.000 0.458 173 R N 0.000 120.509 120.500 0.015 0.000 2.786 173 R HA 0.000 4.350 4.340 0.016 0.000 0.208 173 R CA 0.000 56.115 56.100 0.024 0.000 0.921 173 R CB 0.000 30.320 30.300 0.034 0.000 0.687 173 R HN 0.000 8.262 8.270 0.016 0.017 0.535