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 1gxx_1_A DATA FIRST_RESID 1 DATA SEQUENCE KVFGRcELAA AMKRHGLDNY RGYSLGNWVc AAKFESNFNT QATNRNTDGS DATA SEQUENCE TDYGILQINS RWWcNDGRTP GSRNLcNIPc SALLSSDITA SVNcAKKIVS DATA SEQUENCE DGNGMNAWVA WRNRcKGTDV QAWIRGcRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 4.327 4.320 0.011 0.000 0.191 1 K C 0.000 176.656 176.600 0.093 0.000 0.988 1 K CA 0.000 56.317 56.287 0.050 0.000 0.838 1 K CB 0.000 32.519 32.500 0.031 0.000 1.064 2 V N 0.132 120.056 119.914 0.017 0.000 2.975 2 V HA 0.540 4.884 4.120 0.196 -0.108 0.318 2 V C -0.793 175.309 176.094 0.012 0.000 1.077 2 V CA -1.245 61.110 62.300 0.093 0.000 1.000 2 V CB 1.841 33.699 31.823 0.058 0.000 1.066 2 V HN 0.238 8.393 8.190 -0.059 0.000 0.452 3 F N 2.536 122.561 119.950 0.125 0.000 2.659 3 F HA 0.222 5.016 4.527 0.040 -0.243 0.342 3 F C 0.037 175.896 175.800 0.098 0.000 1.168 3 F CA -0.980 57.069 58.000 0.082 0.000 1.003 3 F CB 3.666 42.695 39.000 0.048 0.000 1.267 3 F HN 0.484 9.025 8.300 0.402 0.000 0.463 4 G N 3.244 112.138 108.800 0.157 0.000 2.667 4 G HA2 0.048 4.054 3.960 0.076 0.000 0.250 4 G HA3 0.048 4.140 3.960 0.220 0.000 0.250 4 G C -0.599 174.301 174.900 -0.000 0.000 1.212 4 G CA -0.374 44.801 45.100 0.124 0.000 0.874 4 G HN -0.088 8.393 8.290 0.041 -0.166 0.561 5 R N 0.323 120.805 120.500 -0.031 0.000 2.113 5 R HA -0.345 3.767 4.340 -0.381 0.000 0.231 5 R C 2.011 178.258 176.300 -0.088 0.000 1.129 5 R CA 4.071 60.085 56.100 -0.143 0.000 0.915 5 R CB -0.140 30.147 30.300 -0.022 0.000 0.837 5 R HN 0.489 8.799 8.270 0.067 0.000 0.430 6 c N -1.161 117.425 118.600 -0.024 0.000 2.398 6 c HA -0.339 4.225 4.570 -0.011 0.000 0.276 6 c C 1.844 175.940 174.090 0.010 0.000 1.222 6 c CA 4.360 60.685 56.329 -0.007 0.000 1.746 6 c CB -2.029 40.483 42.510 0.004 0.000 2.039 6 c HN 0.522 8.747 8.230 -0.007 0.000 0.470 7 E N 0.192 120.413 120.200 0.034 0.000 2.023 7 E HA -0.365 4.032 4.350 0.079 0.000 0.196 7 E C 1.929 178.627 176.600 0.162 0.000 1.003 7 E CA 3.140 59.601 56.400 0.101 0.000 0.809 7 E CB -0.331 29.424 29.700 0.090 0.000 0.755 7 E HN -0.428 7.946 8.360 0.024 0.000 0.449 8 L N -0.538 120.761 121.223 0.127 0.000 2.079 8 L HA -0.394 3.890 4.340 -0.094 0.000 0.210 8 L C 1.700 178.499 176.870 -0.118 0.000 1.081 8 L CA 3.284 58.084 54.840 -0.067 0.000 0.752 8 L CB -0.381 41.490 42.059 -0.314 0.000 0.896 8 L HN 0.292 8.471 8.230 0.096 0.109 0.433 9 A N -1.178 121.592 122.820 -0.083 0.000 1.877 9 A HA -0.422 3.864 4.320 -0.057 0.000 0.216 9 A C 1.906 179.481 177.584 -0.015 0.000 1.186 9 A CA 3.291 55.300 52.037 -0.047 0.000 0.620 9 A CB -1.094 17.892 19.000 -0.023 0.000 0.822 9 A HN 0.563 8.472 8.150 -0.079 0.194 0.443 10 A N -2.090 120.736 122.820 0.010 0.000 1.902 10 A HA -0.337 3.995 4.320 0.019 0.000 0.217 10 A C 1.852 179.465 177.584 0.050 0.000 1.181 10 A CA 2.878 54.932 52.037 0.029 0.000 0.623 10 A CB -0.647 18.377 19.000 0.040 0.000 0.818 10 A HN 0.184 8.342 8.150 0.014 0.000 0.443 11 A N -0.941 121.920 122.820 0.069 0.000 1.845 11 A HA -0.441 4.015 4.320 0.225 0.000 0.215 11 A C 2.257 179.920 177.584 0.131 0.000 1.195 11 A CA 3.104 55.218 52.037 0.129 0.000 0.616 11 A CB -0.472 18.523 19.000 -0.009 0.000 0.832 11 A HN 0.601 8.683 8.150 0.067 0.109 0.443 12 M N -1.413 118.116 119.600 -0.119 0.000 2.260 12 M HA -0.424 3.833 4.480 -0.372 0.000 0.261 12 M C 1.996 178.262 176.300 -0.057 0.000 1.066 12 M CA 3.733 58.914 55.300 -0.198 0.000 1.082 12 M CB -0.923 31.552 32.600 -0.207 0.000 1.388 12 M HN 0.719 8.792 8.290 -0.154 0.125 0.419 13 K N -0.222 120.178 120.400 -0.001 0.000 2.044 13 K HA -0.232 4.089 4.320 0.002 0.000 0.204 13 K C 3.017 179.615 176.600 -0.004 0.000 1.049 13 K CA 3.403 59.693 56.287 0.004 0.000 0.945 13 K CB -0.132 32.374 32.500 0.010 0.000 0.724 13 K HN -0.080 8.041 8.250 0.003 0.130 0.440 14 R N -0.222 120.279 120.500 0.002 0.000 2.159 14 R HA -0.242 4.047 4.340 -0.086 0.000 0.237 14 R C 1.729 177.906 176.300 -0.205 0.000 1.131 14 R CA 2.499 58.542 56.100 -0.096 0.000 0.982 14 R CB -0.305 29.917 30.300 -0.129 0.000 0.868 14 R HN 0.161 8.454 8.270 0.038 0.000 0.453 15 H N -4.533 114.440 119.070 -0.162 0.000 2.544 15 H HA 0.141 4.580 4.556 -0.196 0.000 0.269 15 H C -0.657 174.517 175.328 -0.257 0.000 0.970 15 H CA 1.130 57.042 56.048 -0.225 0.000 1.219 15 H CB 0.599 30.177 29.762 -0.305 0.000 1.421 15 H HN -0.312 7.924 8.280 0.154 0.137 0.555 16 G N -1.560 107.189 108.800 -0.085 0.000 2.291 16 G HA2 -0.422 3.478 3.960 -0.101 0.000 0.271 16 G HA3 -0.422 3.523 3.960 -0.026 0.000 0.271 16 G C -0.155 174.632 174.900 -0.188 0.000 1.099 16 G CA 0.767 45.811 45.100 -0.094 0.000 0.919 16 G HN -0.034 8.047 8.290 -0.042 0.184 0.496 17 L N -0.956 120.162 121.223 -0.175 0.000 2.500 17 L HA 0.103 4.234 4.340 -0.348 0.000 0.219 17 L C -0.581 176.364 176.870 0.124 0.000 1.057 17 L CA -0.216 54.479 54.840 -0.243 0.000 0.854 17 L CB 0.743 42.451 42.059 -0.584 0.000 1.078 17 L HN 0.718 8.774 8.230 -0.122 0.101 0.480 18 D N -0.838 119.629 120.400 0.112 0.000 2.426 18 D HA -0.195 4.696 4.640 0.291 -0.076 0.261 18 D C -0.397 176.046 176.300 0.238 0.000 1.245 18 D CA 2.228 56.350 54.000 0.204 0.000 0.917 18 D CB -0.427 40.443 40.800 0.116 0.000 1.123 18 D HN -0.718 7.667 8.370 0.025 0.000 0.508 19 N N -1.397 117.478 118.700 0.291 0.000 2.878 19 N HA -0.574 4.410 4.740 0.163 -0.146 0.247 19 N C -0.582 175.089 175.510 0.268 0.000 1.021 19 N CA 1.285 54.462 53.050 0.211 0.000 0.873 19 N CB -1.859 36.707 38.487 0.131 0.000 1.128 19 N HN 0.041 8.615 8.380 0.355 0.018 0.571 20 Y N 4.290 124.736 120.300 0.244 0.000 2.745 20 Y HA -0.343 4.281 4.550 0.123 0.000 0.335 20 Y C 0.089 176.138 175.900 0.249 0.000 1.212 20 Y CA 2.108 60.331 58.100 0.205 0.000 1.535 20 Y CB -0.284 38.287 38.460 0.185 0.000 1.220 20 Y HN 0.290 8.729 8.280 0.557 0.175 0.531 21 R N 3.066 123.435 120.500 -0.218 0.000 3.946 21 R HA -0.501 3.730 4.340 -0.180 0.000 0.329 21 R C -0.334 175.939 176.300 -0.045 0.000 1.209 21 R CA 0.946 56.954 56.100 -0.153 0.000 0.909 21 R CB -2.618 27.591 30.300 -0.151 0.000 1.355 21 R HN 0.833 8.937 8.270 -0.276 0.000 0.539 22 G N -4.463 104.335 108.800 -0.004 0.000 2.308 22 G HA2 -0.401 3.461 3.960 -0.163 0.000 0.221 22 G HA3 -0.401 3.539 3.960 -0.034 0.000 0.221 22 G C -0.140 174.700 174.900 -0.100 0.000 1.032 22 G CA -0.084 44.969 45.100 -0.078 0.000 0.623 22 G HN 0.359 8.500 8.290 0.054 0.182 0.506 23 Y N 4.776 125.050 120.300 -0.042 0.000 2.601 23 Y HA -0.298 4.020 4.550 -0.385 0.000 0.349 23 Y C -0.389 175.478 175.900 -0.055 0.000 1.274 23 Y CA 0.259 58.206 58.100 -0.255 0.000 1.863 23 Y CB -2.163 36.030 38.460 -0.444 0.000 1.629 23 Y HN -0.243 7.967 8.280 0.143 0.156 0.439 24 S N 2.342 118.064 115.700 0.036 0.000 2.584 24 S HA -0.121 4.609 4.470 0.215 -0.131 0.270 24 S C 1.218 175.940 174.600 0.203 0.000 1.346 24 S CA -0.229 58.058 58.200 0.145 0.000 1.018 24 S CB 1.496 64.751 63.200 0.093 0.000 0.899 24 S HN 0.345 8.609 8.310 -0.056 0.013 0.542 25 L N 2.486 123.884 121.223 0.291 0.000 2.137 25 L HA -0.254 4.390 4.340 0.507 0.000 0.213 25 L C 1.871 178.875 176.870 0.225 0.000 1.085 25 L CA 3.377 58.403 54.840 0.310 0.000 0.760 25 L CB -0.393 41.771 42.059 0.176 0.000 0.893 25 L HN 0.998 9.819 8.230 0.239 -0.448 0.434 26 G N -2.175 106.746 108.800 0.202 0.000 2.469 26 G HA2 -0.471 3.876 3.960 0.336 0.000 0.219 26 G HA3 -0.471 3.758 3.960 0.447 0.000 0.219 26 G C 0.989 175.891 174.900 0.002 0.000 1.150 26 G CA 2.377 47.641 45.100 0.274 0.000 0.763 26 G HN -0.146 8.233 8.290 0.187 0.023 0.561 27 N N 2.534 121.219 118.700 -0.026 0.000 2.106 27 N HA -0.184 4.623 4.740 0.110 0.000 0.188 27 N C 2.132 177.530 175.510 -0.188 0.000 1.029 27 N CA 3.768 56.794 53.050 -0.040 0.000 0.848 27 N CB 0.218 38.643 38.487 -0.104 0.000 1.007 27 N HN -0.175 8.097 8.380 -0.001 0.107 0.423 28 W N 0.275 121.554 121.300 -0.034 0.000 2.355 28 W HA -0.260 4.247 4.660 -0.255 0.000 0.309 28 W C 2.712 179.200 176.519 -0.053 0.000 1.206 28 W CA 2.755 60.017 57.345 -0.139 0.000 1.284 28 W CB -0.089 29.275 29.460 -0.161 0.000 1.145 28 W HN -0.211 7.744 8.180 -0.281 0.056 0.502 29 V N -0.708 119.342 119.914 0.227 0.000 2.261 29 V HA -0.561 3.783 4.120 0.374 0.000 0.246 29 V C 2.054 178.291 176.094 0.240 0.000 1.047 29 V CA 3.682 66.156 62.300 0.292 0.000 1.015 29 V CB -0.956 31.024 31.823 0.262 0.000 0.642 29 V HN 0.952 9.142 8.190 0.225 0.135 0.446 30 c N 0.131 118.584 118.600 -0.245 0.000 2.376 30 c HA -0.513 3.434 4.570 -1.038 0.000 0.275 30 c C 1.687 175.574 174.090 -0.338 0.000 1.200 30 c CA 4.165 59.901 56.329 -0.988 0.000 1.756 30 c CB -2.223 39.058 42.510 -2.049 0.000 2.050 30 c HN -0.024 7.921 8.230 -0.298 0.106 0.460 31 A N 0.170 122.949 122.820 -0.068 0.000 1.841 31 A HA -0.350 4.082 4.320 0.187 0.000 0.216 31 A C 1.970 179.611 177.584 0.095 0.000 1.199 31 A CA 3.118 55.220 52.037 0.109 0.000 0.621 31 A CB -0.645 18.391 19.000 0.059 0.000 0.835 31 A HN 0.105 8.220 8.150 -0.059 0.000 0.445 32 A N -2.117 120.780 122.820 0.129 0.000 1.940 32 A HA -0.386 3.995 4.320 0.101 0.000 0.219 32 A C 1.619 179.154 177.584 -0.082 0.000 1.176 32 A CA 2.705 54.830 52.037 0.146 0.000 0.631 32 A CB -0.600 18.613 19.000 0.354 0.000 0.814 32 A HN 0.403 8.539 8.150 0.160 0.110 0.446 33 K N 0.325 120.635 120.400 -0.150 0.000 1.988 33 K HA -0.341 3.038 4.320 -1.569 0.000 0.221 33 K C 2.439 178.759 176.600 -0.467 0.000 1.053 33 K CA 2.774 58.651 56.287 -0.682 0.000 0.959 33 K CB -0.335 31.932 32.500 -0.390 0.000 0.728 33 K HN 0.589 8.798 8.250 0.162 0.138 0.447 34 F N -3.791 116.129 119.950 -0.051 0.000 2.407 34 F HA -0.166 4.349 4.527 -0.020 0.000 0.299 34 F C 1.869 177.667 175.800 -0.004 0.000 1.097 34 F CA 2.280 60.273 58.000 -0.012 0.000 1.422 34 F CB -0.323 38.696 39.000 0.031 0.000 1.067 34 F HN -0.630 7.482 8.300 -0.313 0.000 0.539 35 E N -1.568 118.728 120.200 0.161 0.000 2.008 35 E HA -0.190 4.268 4.350 0.179 0.000 0.191 35 E C 0.878 177.528 176.600 0.083 0.000 0.986 35 E CA 2.423 58.915 56.400 0.153 0.000 0.807 35 E CB 0.709 30.527 29.700 0.196 0.000 0.766 35 E HN -0.328 7.994 8.360 0.114 0.107 0.450 36 S N -4.880 110.831 115.700 0.018 0.000 2.733 36 S HA 0.069 4.553 4.470 0.023 0.000 0.247 36 S C -0.183 174.356 174.600 -0.101 0.000 1.043 36 S CA -0.433 57.767 58.200 0.000 0.000 1.066 36 S CB 2.573 65.802 63.200 0.048 0.000 1.045 36 S HN -0.022 8.176 8.310 -0.012 0.106 0.586 37 N N 0.644 119.165 118.700 -0.299 0.000 2.756 37 N HA -0.357 3.768 4.740 -1.076 -0.031 0.248 37 N C -1.419 173.747 175.510 -0.574 0.000 1.062 37 N CA 1.364 54.037 53.050 -0.628 0.000 0.696 37 N CB -1.203 37.114 38.487 -0.284 0.000 0.946 37 N HN -0.030 8.109 8.380 -0.276 0.075 0.548 38 F N -8.390 111.596 119.950 0.061 0.000 2.773 38 F HA -0.469 4.084 4.527 0.042 0.000 0.251 38 F C -1.779 174.104 175.800 0.138 0.000 1.020 38 F CA 0.303 58.356 58.000 0.089 0.000 0.924 38 F CB -3.477 35.598 39.000 0.125 0.000 0.919 38 F HN -0.672 7.369 8.300 -0.431 0.000 0.846 39 N N -0.928 117.896 118.700 0.208 0.000 2.310 39 N HA 0.453 5.443 4.740 0.224 -0.117 0.292 39 N C -0.237 175.369 175.510 0.160 0.000 1.049 39 N CA -0.222 52.934 53.050 0.178 0.000 0.849 39 N CB 4.278 42.825 38.487 0.099 0.000 1.532 39 N HN -0.727 7.744 8.380 0.151 0.000 0.479 40 T N 1.768 116.429 114.554 0.178 0.000 3.312 40 T HA 0.204 4.630 4.350 0.126 0.000 0.251 40 T C 0.193 174.964 174.700 0.118 0.000 1.012 40 T CA 0.324 62.511 62.100 0.145 0.000 0.925 40 T CB -0.868 68.100 68.868 0.168 0.000 1.049 40 T HN 0.999 9.238 8.240 0.201 0.122 0.583 41 Q N -1.482 118.381 119.800 0.105 0.000 2.330 41 Q HA 0.070 4.471 4.340 0.102 0.000 0.254 41 Q C -0.956 175.089 176.000 0.075 0.000 0.777 41 Q CA 0.056 55.914 55.803 0.091 0.000 0.972 41 Q CB 1.998 30.781 28.738 0.075 0.000 1.236 41 Q HN -0.437 7.920 8.270 0.105 -0.024 0.508 42 A N 2.616 125.476 122.820 0.067 0.000 2.517 42 A HA -0.198 4.146 4.320 0.039 0.000 0.284 42 A C -0.414 177.192 177.584 0.037 0.000 1.195 42 A CA 0.877 52.942 52.037 0.047 0.000 0.873 42 A CB -0.848 18.178 19.000 0.043 0.000 1.055 42 A HN -0.631 7.727 8.150 0.074 -0.164 0.538 43 T N 0.957 115.518 114.554 0.013 0.000 2.907 43 T HA 0.124 4.537 4.350 -0.057 -0.098 0.284 43 T C -0.818 173.839 174.700 -0.073 0.000 1.004 43 T CA -1.978 60.090 62.100 -0.054 0.000 1.063 43 T CB 2.246 71.067 68.868 -0.079 0.000 0.992 43 T HN -0.389 7.862 8.240 0.019 0.000 0.483 44 N N 1.658 120.285 118.700 -0.122 0.000 2.531 44 N HA 0.325 5.036 4.740 -0.049 0.000 0.290 44 N C -1.998 173.435 175.510 -0.128 0.000 1.257 44 N CA -1.073 51.928 53.050 -0.082 0.000 0.863 44 N CB 3.311 41.777 38.487 -0.035 0.000 1.320 44 N HN 0.028 8.296 8.380 -0.186 0.000 0.538 45 R N -0.691 119.764 120.500 -0.075 0.000 2.574 45 R HA 0.183 4.462 4.340 -0.102 0.000 0.288 45 R C -1.746 174.535 176.300 -0.032 0.000 1.004 45 R CA -0.662 55.398 56.100 -0.067 0.000 0.895 45 R CB 2.560 32.834 30.300 -0.043 0.000 1.191 45 R HN 0.284 8.526 8.270 -0.047 0.000 0.444 46 N N 6.150 124.839 118.700 -0.017 0.000 2.421 46 N HA 0.245 4.984 4.740 -0.002 0.000 0.285 46 N C 0.784 176.302 175.510 0.013 0.000 1.027 46 N CA -0.241 52.813 53.050 0.005 0.000 0.918 46 N CB 1.154 39.661 38.487 0.033 0.000 1.152 46 N HN 0.590 8.957 8.380 -0.021 0.000 0.485 47 T N 0.628 115.188 114.554 0.010 0.000 2.777 47 T HA -0.341 4.014 4.350 0.008 0.000 0.266 47 T C 0.856 175.567 174.700 0.020 0.000 1.040 47 T CA 3.072 65.179 62.100 0.011 0.000 1.141 47 T CB -0.388 68.484 68.868 0.007 0.000 0.868 47 T HN 0.548 8.792 8.240 0.006 0.000 0.444 48 D N -0.205 120.215 120.400 0.033 0.000 2.220 48 D HA -0.208 4.453 4.640 0.036 0.000 0.198 48 D C 1.122 177.439 176.300 0.028 0.000 1.001 48 D CA 0.921 54.947 54.000 0.045 0.000 0.875 48 D CB -0.689 40.168 40.800 0.095 0.000 0.921 48 D HN 0.157 8.548 8.370 0.034 0.000 0.454 49 G N -1.757 107.058 108.800 0.026 0.000 2.223 49 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.200 49 G HA3 -0.203 3.765 3.960 0.013 0.000 0.200 49 G C -1.919 172.990 174.900 0.015 0.000 1.061 49 G CA -0.527 44.580 45.100 0.011 0.000 0.790 49 G HN -0.534 7.750 8.290 0.034 0.026 0.498 50 S N -1.560 114.161 115.700 0.035 0.000 2.697 50 S HA 0.349 4.854 4.470 0.059 0.000 0.289 50 S C -2.002 172.631 174.600 0.056 0.000 1.149 50 S CA -1.270 56.964 58.200 0.057 0.000 0.850 50 S CB 2.930 66.173 63.200 0.071 0.000 1.151 50 S HN -0.678 7.654 8.310 0.038 0.000 0.491 51 T N 1.312 115.918 114.554 0.087 0.000 2.900 51 T HA 0.384 4.720 4.350 -0.114 -0.054 0.303 51 T C -2.002 172.588 174.700 -0.183 0.000 1.142 51 T CA -0.443 61.598 62.100 -0.099 0.000 1.007 51 T CB 3.764 72.532 68.868 -0.165 0.000 1.156 51 T HN 0.383 8.728 8.240 0.175 0.000 0.490 52 D N 3.597 123.784 120.400 -0.356 0.000 2.256 52 D HA 0.656 5.530 4.640 0.087 -0.181 0.240 52 D C -0.879 175.198 176.300 -0.371 0.000 1.062 52 D CA -0.660 53.245 54.000 -0.159 0.000 0.832 52 D CB 2.019 42.815 40.800 -0.006 0.000 1.135 52 D HN -0.099 8.056 8.370 -0.358 0.000 0.484 53 Y N 1.528 121.900 120.300 0.120 0.000 2.562 53 Y HA 0.079 4.682 4.550 0.088 0.000 0.343 53 Y C -0.313 175.650 175.900 0.104 0.000 1.025 53 Y CA -1.468 56.690 58.100 0.097 0.000 1.082 53 Y CB 3.805 42.311 38.460 0.077 0.000 1.264 53 Y HN -0.060 8.488 8.280 0.448 0.000 0.478 54 G N -0.817 108.124 108.800 0.236 0.000 2.770 54 G HA2 -0.243 3.802 3.960 0.142 0.000 0.686 54 G HA3 -0.243 3.940 3.960 0.114 -0.155 0.686 54 G C -0.213 174.752 174.900 0.108 0.000 1.180 54 G CA -0.501 44.685 45.100 0.144 0.000 0.767 54 G HN 0.090 8.521 8.290 0.234 0.000 0.646 55 I N 3.589 124.193 120.570 0.058 0.000 2.113 55 I HA -0.422 4.040 4.170 0.084 -0.241 0.242 55 I C 0.746 176.901 176.117 0.063 0.000 1.057 55 I CA 3.564 64.896 61.300 0.053 0.000 1.314 55 I CB 0.406 38.400 38.000 -0.010 0.000 1.022 55 I HN -0.007 8.222 8.210 0.032 0.000 0.408 56 L N -3.527 117.712 121.223 0.027 0.000 2.627 56 L HA -0.157 4.213 4.340 0.050 0.000 0.233 56 L C -1.853 175.175 176.870 0.264 0.000 1.144 56 L CA 0.002 54.867 54.840 0.042 0.000 0.892 56 L CB -0.507 41.455 42.059 -0.163 0.000 1.039 56 L HN -0.152 8.063 8.230 -0.024 0.000 0.442 57 Q N -4.261 115.692 119.800 0.254 0.000 2.729 57 Q HA -0.458 4.047 4.340 0.211 -0.039 0.184 57 Q C -1.743 174.541 176.000 0.474 0.000 1.453 57 Q CA 1.235 57.225 55.803 0.312 0.000 0.579 57 Q CB -2.841 26.080 28.738 0.304 0.000 0.717 57 Q HN 0.382 8.523 8.270 0.170 0.231 0.316 58 I N 2.536 123.330 120.570 0.375 0.000 2.447 58 I HA 0.173 4.709 4.170 0.609 0.000 0.287 58 I C -1.453 174.925 176.117 0.436 0.000 1.023 58 I CA -1.999 59.586 61.300 0.474 0.000 1.083 58 I CB 3.450 41.678 38.000 0.381 0.000 1.245 58 I HN -0.090 8.270 8.210 0.300 0.030 0.434 59 N N 7.658 126.641 118.700 0.471 0.000 2.492 59 N HA -0.032 5.121 4.740 0.224 -0.279 0.260 59 N C 0.554 176.259 175.510 0.325 0.000 1.215 59 N CA 0.924 54.156 53.050 0.302 0.000 0.923 59 N CB 1.343 39.957 38.487 0.212 0.000 1.092 59 N HN 0.595 9.390 8.380 0.691 0.000 0.448 60 S N 3.087 118.953 115.700 0.276 0.000 2.710 60 S HA 0.186 4.846 4.470 0.219 -0.059 0.224 60 S C 0.444 175.071 174.600 0.046 0.000 0.948 60 S CA 1.062 59.389 58.200 0.211 0.000 0.949 60 S CB 0.120 63.489 63.200 0.280 0.000 0.778 60 S HN 0.478 8.945 8.310 0.261 0.000 0.498 61 R N 2.437 122.915 120.500 -0.037 0.000 2.167 61 R HA 0.366 4.502 4.340 -0.339 0.000 0.195 61 R C 0.208 176.167 176.300 -0.568 0.000 1.027 61 R CA 2.174 58.021 56.100 -0.422 0.000 1.114 61 R CB 1.779 31.646 30.300 -0.721 0.000 1.075 61 R HN -0.194 8.223 8.270 0.096 -0.089 0.538 62 W N -4.067 117.101 121.300 -0.219 0.000 2.842 62 W HA 0.287 4.818 4.660 -0.216 0.000 0.267 62 W C 2.063 178.460 176.519 -0.204 0.000 1.219 62 W CA 1.571 58.708 57.345 -0.347 0.000 1.458 62 W CB 0.295 29.342 29.460 -0.689 0.000 1.006 62 W HN -0.702 7.735 8.180 0.160 -0.161 0.603 63 W N -1.257 120.204 121.300 0.269 0.000 2.633 63 W HA -0.086 4.690 4.660 0.193 0.000 0.295 63 W C -0.449 176.153 176.519 0.137 0.000 1.133 63 W CA 1.592 59.054 57.345 0.195 0.000 1.490 63 W CB 2.236 31.820 29.460 0.207 0.000 1.127 63 W HN -0.707 7.599 8.180 0.210 0.000 0.538 64 c N -8.890 109.932 118.600 0.371 0.000 3.307 64 c HA 0.595 5.456 4.570 0.179 -0.183 0.350 64 c C -1.803 172.359 174.090 0.119 0.000 1.549 64 c CA -2.861 53.593 56.329 0.208 0.000 1.396 64 c CB 2.955 45.581 42.510 0.193 0.000 1.970 64 c HN 0.309 8.777 8.230 0.397 0.000 0.441 65 N N -0.560 118.172 118.700 0.053 0.000 2.312 65 N HA 0.542 5.469 4.740 0.013 -0.179 0.296 65 N C -1.347 174.125 175.510 -0.063 0.000 1.193 65 N CA -1.137 51.914 53.050 0.001 0.000 0.773 65 N CB 4.212 42.690 38.487 -0.015 0.000 1.435 65 N HN 0.091 8.498 8.380 0.046 0.000 0.484 66 D N 1.297 121.641 120.400 -0.092 0.000 2.480 66 D HA 0.208 4.705 4.640 -0.238 0.000 0.243 66 D C 0.602 176.835 176.300 -0.112 0.000 1.120 66 D CA -0.686 53.198 54.000 -0.193 0.000 0.835 66 D CB 1.617 42.215 40.800 -0.337 0.000 1.204 66 D HN 0.504 8.844 8.370 -0.051 0.000 0.513 67 G N 0.447 109.209 108.800 -0.064 0.000 2.194 67 G HA2 -0.297 3.635 3.960 -0.047 0.000 0.236 67 G HA3 -0.297 3.640 3.960 -0.039 0.000 0.236 67 G C -0.134 174.749 174.900 -0.029 0.000 0.987 67 G CA 0.547 45.620 45.100 -0.044 0.000 0.635 67 G HN 0.396 9.046 8.290 -0.054 -0.393 0.520 68 R N -2.331 118.157 120.500 -0.019 0.000 2.412 68 R HA 0.277 4.615 4.340 -0.004 0.000 0.212 68 R C 0.117 176.424 176.300 0.012 0.000 0.878 68 R CA -0.368 55.733 56.100 0.002 0.000 1.022 68 R CB 1.430 31.742 30.300 0.021 0.000 1.265 68 R HN 0.150 8.730 8.270 -0.025 -0.325 0.620 69 T N 6.846 121.413 114.554 0.021 0.000 2.704 69 T HA -0.114 4.261 4.350 0.042 0.000 0.271 69 T C -1.432 173.256 174.700 -0.019 0.000 1.000 69 T CA 1.575 63.686 62.100 0.018 0.000 1.216 69 T CB -0.075 68.803 68.868 0.017 0.000 0.961 69 T HN -0.107 8.702 8.240 0.021 -0.557 0.515 70 P HA -0.277 4.127 4.420 -0.027 0.000 0.231 70 P C -0.928 176.336 177.300 -0.059 0.000 1.210 70 P CA 0.306 63.387 63.100 -0.031 0.000 1.332 70 P CB -1.694 29.994 31.700 -0.021 0.000 1.594 71 G N 2.415 111.173 108.800 -0.070 0.000 3.292 71 G HA2 -0.334 3.562 3.960 -0.107 0.000 0.636 71 G HA3 -0.334 3.572 3.960 -0.090 0.000 0.636 71 G C -2.107 172.701 174.900 -0.153 0.000 1.069 71 G CA -0.392 44.646 45.100 -0.103 0.000 0.890 71 G HN -0.154 8.089 8.290 -0.056 0.013 0.427 72 S N 1.972 117.583 115.700 -0.148 0.000 2.570 72 S HA 0.269 4.569 4.470 -0.283 0.000 0.286 72 S C -0.915 173.574 174.600 -0.185 0.000 1.099 72 S CA -1.720 56.364 58.200 -0.192 0.000 0.913 72 S CB 1.903 65.032 63.200 -0.118 0.000 1.085 72 S HN -0.113 8.129 8.310 -0.114 0.000 0.480 73 R N 2.786 123.149 120.500 -0.229 0.000 2.107 73 R HA 0.339 4.604 4.340 -0.125 0.000 0.195 73 R C -0.352 175.900 176.300 -0.079 0.000 1.214 73 R CA -0.658 55.347 56.100 -0.159 0.000 1.129 73 R CB 1.593 31.769 30.300 -0.207 0.000 1.045 73 R HN 0.241 8.327 8.270 -0.307 0.000 0.489 74 N N -0.983 117.681 118.700 -0.060 0.000 3.596 74 N HA -0.199 4.587 4.740 0.076 0.000 0.265 74 N C -1.070 174.490 175.510 0.083 0.000 1.939 74 N CA 0.688 53.760 53.050 0.036 0.000 2.197 74 N CB -0.454 38.049 38.487 0.026 0.000 0.622 74 N HN -0.074 8.232 8.380 -0.124 0.000 0.510 75 L N 1.919 123.243 121.223 0.170 0.000 2.638 75 L HA 0.245 4.669 4.340 0.140 0.000 0.232 75 L C 0.509 177.512 176.870 0.223 0.000 1.099 75 L CA 0.731 55.693 54.840 0.203 0.000 0.883 75 L CB 0.230 42.460 42.059 0.284 0.000 1.136 75 L HN 0.154 8.521 8.230 0.228 0.000 0.492 76 c N 0.817 119.559 118.600 0.237 0.000 2.673 76 c HA -0.010 4.657 4.570 0.160 0.000 0.264 76 c C -0.003 174.151 174.090 0.107 0.000 1.304 76 c CA -0.050 56.384 56.329 0.176 0.000 1.727 76 c CB -0.407 42.219 42.510 0.193 0.000 1.932 76 c HN 0.198 8.642 8.230 0.257 -0.059 0.563 77 N N -1.094 117.664 118.700 0.096 0.000 2.714 77 N HA -0.414 4.373 4.740 0.048 -0.017 0.253 77 N C -2.114 173.422 175.510 0.044 0.000 1.024 77 N CA 0.978 54.062 53.050 0.057 0.000 0.726 77 N CB -1.108 37.407 38.487 0.047 0.000 0.908 77 N HN 0.442 9.056 8.380 0.114 -0.166 0.542 78 I N -2.264 118.336 120.570 0.051 0.000 3.006 78 I HA 0.398 4.579 4.170 0.019 0.000 0.306 78 I C -2.879 173.251 176.117 0.023 0.000 1.250 78 I CA -3.380 57.940 61.300 0.033 0.000 0.996 78 I CB 4.043 42.065 38.000 0.037 0.000 1.261 78 I HN -0.577 7.885 8.210 0.069 -0.210 0.442 79 P HA 0.476 5.003 4.420 -0.039 -0.131 0.287 79 P C 0.309 177.585 177.300 -0.039 0.000 1.307 79 P CA -0.841 62.241 63.100 -0.030 0.000 0.777 79 P CB -0.737 30.941 31.700 -0.036 0.000 0.883 80 c N 7.070 125.627 118.600 -0.071 0.000 2.393 80 c HA -0.373 4.226 4.570 0.048 0.000 0.276 80 c C 2.097 176.120 174.090 -0.113 0.000 1.215 80 c CA 3.588 59.873 56.329 -0.075 0.000 1.743 80 c CB -1.546 40.835 42.510 -0.215 0.000 2.044 80 c HN 1.252 9.308 8.230 -0.081 0.125 0.464 81 S N 0.910 116.475 115.700 -0.225 0.000 2.392 81 S HA -0.436 3.971 4.470 -0.104 0.000 0.232 81 S C 1.772 176.358 174.600 -0.024 0.000 1.041 81 S CA 3.334 61.458 58.200 -0.126 0.000 1.026 81 S CB -0.543 62.579 63.200 -0.130 0.000 0.845 81 S HN 0.312 8.440 8.310 -0.303 0.000 0.465 82 A N 1.709 124.513 122.820 -0.026 0.000 2.076 82 A HA -0.192 4.129 4.320 0.002 0.000 0.220 82 A C 1.619 179.211 177.584 0.014 0.000 1.160 82 A CA 2.465 54.501 52.037 -0.002 0.000 0.653 82 A CB -0.824 18.171 19.000 -0.009 0.000 0.801 82 A HN -0.454 7.653 8.150 -0.048 0.015 0.455 83 L N -4.182 117.059 121.223 0.029 0.000 2.549 83 L HA -0.223 4.120 4.340 0.005 0.000 0.229 83 L C 1.190 178.094 176.870 0.056 0.000 1.158 83 L CA 1.420 56.284 54.840 0.039 0.000 0.842 83 L CB -0.485 41.624 42.059 0.083 0.000 0.952 83 L HN 0.200 8.269 8.230 0.027 0.177 0.452 84 L N -3.006 118.260 121.223 0.071 0.000 2.685 84 L HA 0.112 4.510 4.340 0.097 0.000 0.233 84 L C -0.383 176.536 176.870 0.081 0.000 1.173 84 L CA -1.373 53.521 54.840 0.090 0.000 0.961 84 L CB -1.470 40.654 42.059 0.108 0.000 1.217 84 L HN 0.346 8.414 8.230 0.059 0.198 0.478 85 S N 1.277 117.015 115.700 0.063 0.000 2.614 85 S HA -0.250 4.256 4.470 0.061 0.000 0.251 85 S C 0.169 174.842 174.600 0.123 0.000 1.388 85 S CA 0.772 59.014 58.200 0.071 0.000 0.973 85 S CB 0.853 64.085 63.200 0.053 0.000 0.926 85 S HN -0.582 7.662 8.310 0.045 0.094 0.580 86 S N -2.878 112.900 115.700 0.130 0.000 2.524 86 S HA -0.044 4.546 4.470 0.200 0.000 0.216 86 S C -0.869 173.931 174.600 0.333 0.000 0.987 86 S CA 1.008 59.316 58.200 0.181 0.000 0.909 86 S CB 0.660 63.911 63.200 0.084 0.000 0.781 86 S HN 0.038 8.407 8.310 0.099 0.000 0.521 87 D N 1.518 122.059 120.400 0.235 0.000 2.308 87 D HA 0.280 5.188 4.640 0.447 0.000 0.242 87 D C 0.157 176.470 176.300 0.022 0.000 1.059 87 D CA -1.630 52.511 54.000 0.235 0.000 0.830 87 D CB 2.174 43.074 40.800 0.167 0.000 1.161 87 D HN -0.323 8.070 8.370 0.149 0.066 0.494 88 I N 1.860 122.267 120.570 -0.271 0.000 2.800 88 I HA -0.313 3.622 4.170 -0.391 0.000 0.266 88 I C 1.110 177.002 176.117 -0.375 0.000 1.249 88 I CA 1.987 62.984 61.300 -0.506 0.000 1.458 88 I CB -0.676 36.778 38.000 -0.910 0.000 1.093 88 I HN 0.617 8.604 8.210 -0.371 0.000 0.466 89 T N 4.486 119.009 114.554 -0.052 0.000 2.680 89 T HA -0.499 4.000 4.350 0.249 0.000 0.268 89 T C 1.678 176.350 174.700 -0.046 0.000 1.033 89 T CA 4.973 67.144 62.100 0.118 0.000 1.152 89 T CB -0.814 68.158 68.868 0.173 0.000 0.859 89 T HN 0.472 9.156 8.240 0.112 -0.377 0.452 90 A N 0.561 123.348 122.820 -0.054 0.000 1.829 90 A HA -0.342 3.953 4.320 -0.041 0.000 0.216 90 A C 1.949 179.471 177.584 -0.103 0.000 1.207 90 A CA 3.489 55.492 52.037 -0.056 0.000 0.622 90 A CB -0.972 18.012 19.000 -0.027 0.000 0.846 90 A HN -0.416 7.707 8.150 -0.034 0.007 0.447 91 S N -0.993 114.626 115.700 -0.134 0.000 2.370 91 S HA -0.373 4.027 4.470 -0.117 0.000 0.226 91 S C 2.075 176.504 174.600 -0.286 0.000 1.033 91 S CA 4.214 62.309 58.200 -0.175 0.000 1.011 91 S CB -0.518 62.574 63.200 -0.180 0.000 0.852 91 S HN -0.040 8.197 8.310 -0.121 0.000 0.457 92 V N 2.050 121.741 119.914 -0.372 0.000 2.332 92 V HA -0.538 3.214 4.120 -0.614 0.000 0.248 92 V C 1.389 177.277 176.094 -0.343 0.000 1.055 92 V CA 4.169 66.181 62.300 -0.480 0.000 1.038 92 V CB -0.833 30.645 31.823 -0.575 0.000 0.651 92 V HN 0.834 8.684 8.190 -0.367 0.119 0.450 93 N N -0.215 118.357 118.700 -0.212 0.000 2.084 93 N HA -0.413 4.232 4.740 -0.159 0.000 0.190 93 N C 1.590 177.016 175.510 -0.140 0.000 1.030 93 N CA 4.399 57.359 53.050 -0.149 0.000 0.849 93 N CB 0.187 38.622 38.487 -0.086 0.000 1.012 93 N HN 0.092 8.169 8.380 -0.180 0.195 0.423 94 c N 0.807 119.330 118.600 -0.129 0.000 2.446 94 c HA -0.135 4.401 4.570 -0.056 0.000 0.277 94 c C 1.777 175.766 174.090 -0.169 0.000 1.275 94 c CA 2.272 58.544 56.329 -0.097 0.000 1.727 94 c CB -2.234 40.246 42.510 -0.050 0.000 2.010 94 c HN -0.282 7.871 8.230 -0.129 0.000 0.486 95 A N 0.987 123.644 122.820 -0.272 0.000 1.865 95 A HA -0.412 3.661 4.320 -0.412 0.000 0.217 95 A C 1.687 179.089 177.584 -0.302 0.000 1.191 95 A CA 3.684 55.484 52.037 -0.396 0.000 0.623 95 A CB -0.865 17.772 19.000 -0.605 0.000 0.826 95 A HN 1.026 8.883 8.150 -0.278 0.125 0.444 96 K N -3.975 116.251 120.400 -0.290 0.000 2.281 96 K HA -0.396 3.982 4.320 0.096 0.000 0.203 96 K C 1.511 178.140 176.600 0.049 0.000 1.046 96 K CA 3.213 59.443 56.287 -0.096 0.000 0.938 96 K CB -0.185 32.124 32.500 -0.318 0.000 0.737 96 K HN 0.387 8.299 8.250 -0.365 0.119 0.458 97 K N -0.982 119.395 120.400 -0.038 0.000 2.099 97 K HA -0.163 4.185 4.320 0.045 0.000 0.203 97 K C 2.990 179.587 176.600 -0.005 0.000 1.047 97 K CA 2.515 58.806 56.287 0.007 0.000 0.963 97 K CB 0.112 32.615 32.500 0.005 0.000 0.759 97 K HN -0.658 7.359 8.250 -0.102 0.171 0.451 98 I N 1.047 121.564 120.570 -0.089 0.000 2.163 98 I HA -0.417 3.733 4.170 -0.035 0.000 0.243 98 I C 1.184 177.208 176.117 -0.155 0.000 1.085 98 I CA 3.905 65.097 61.300 -0.181 0.000 1.347 98 I CB 0.445 38.143 38.000 -0.504 0.000 1.044 98 I HN 0.815 8.824 8.210 -0.124 0.126 0.408 99 V N 1.190 121.005 119.914 -0.166 0.000 3.016 99 V HA -0.177 3.853 4.120 -0.150 0.000 0.344 99 V C -2.275 173.821 176.094 0.004 0.000 1.457 99 V CA 0.131 62.362 62.300 -0.115 0.000 1.568 99 V CB -2.608 29.138 31.823 -0.129 0.000 1.224 99 V HN 0.618 8.577 8.190 -0.190 0.118 0.450 100 S N 1.236 116.957 115.700 0.035 0.000 3.041 100 S HA 0.115 4.615 4.470 0.049 0.000 0.244 100 S C -0.521 174.133 174.600 0.091 0.000 0.837 100 S CA 0.313 58.548 58.200 0.058 0.000 1.206 100 S CB 1.126 64.357 63.200 0.051 0.000 1.218 100 S HN 0.570 8.767 8.310 0.034 0.133 0.591 101 D N 1.407 121.886 120.400 0.132 0.000 2.290 101 D HA 0.001 4.733 4.640 0.153 0.000 0.224 101 D C 1.217 177.602 176.300 0.142 0.000 0.967 101 D CA 0.830 54.933 54.000 0.172 0.000 0.893 101 D CB 0.424 41.399 40.800 0.291 0.000 1.037 101 D HN -0.356 8.093 8.370 0.131 0.000 0.477 102 G N -1.271 107.619 108.800 0.150 0.000 3.724 102 G HA2 -0.187 3.839 3.960 0.110 0.000 0.212 102 G HA3 -0.187 3.833 3.960 0.101 0.000 0.212 102 G C -0.109 174.876 174.900 0.142 0.000 0.928 102 G CA 0.115 45.288 45.100 0.122 0.000 0.879 102 G HN -0.030 8.366 8.290 0.176 0.000 0.424 103 N N 2.571 121.384 118.700 0.189 0.000 2.395 103 N HA 0.059 4.903 4.740 0.174 0.000 0.175 103 N C 0.668 176.324 175.510 0.243 0.000 1.029 103 N CA 1.090 54.267 53.050 0.212 0.000 0.897 103 N CB 1.021 39.654 38.487 0.242 0.000 0.991 103 N HN 0.123 9.109 8.380 0.221 -0.472 0.441 104 G N 0.293 109.226 108.800 0.222 0.000 2.622 104 G HA2 -0.472 3.589 3.960 0.169 0.000 0.307 104 G HA3 -0.472 3.513 3.960 0.041 0.000 0.307 104 G C -0.136 174.828 174.900 0.108 0.000 1.226 104 G CA 1.088 46.263 45.100 0.125 0.000 0.997 104 G HN 0.012 8.913 8.290 0.227 -0.474 0.551 105 M N 2.283 121.849 119.600 -0.056 0.000 2.495 105 M HA 0.058 4.592 4.480 0.091 0.000 0.237 105 M C 0.999 177.555 176.300 0.427 0.000 1.131 105 M CA 0.320 55.543 55.300 -0.128 0.000 1.032 105 M CB 0.530 32.390 32.600 -1.233 0.000 1.513 105 M HN 0.021 8.337 8.290 0.044 0.000 0.488 106 N N 0.813 119.787 118.700 0.458 0.000 2.938 106 N HA -0.188 4.911 4.740 0.598 0.000 0.286 106 N C -1.004 174.719 175.510 0.354 0.000 1.316 106 N CA 1.922 55.250 53.050 0.462 0.000 1.063 106 N CB -1.647 37.029 38.487 0.315 0.000 1.388 106 N HN 0.064 8.592 8.380 0.357 0.066 0.545 107 A N -1.714 121.372 122.820 0.444 0.000 1.633 107 A HA 0.222 4.608 4.320 0.111 0.000 0.212 107 A C -0.857 176.853 177.584 0.211 0.000 1.823 107 A CA 0.421 52.587 52.037 0.215 0.000 1.343 107 A CB 1.326 20.384 19.000 0.096 0.000 1.309 107 A HN 0.712 9.116 8.150 0.638 0.129 0.404 108 W N 0.437 121.863 121.300 0.210 0.000 2.715 108 W HA -0.052 4.709 4.660 0.168 0.000 0.351 108 W C 0.198 176.833 176.519 0.193 0.000 1.406 108 W CA 0.887 58.346 57.345 0.190 0.000 1.354 108 W CB -0.228 29.330 29.460 0.164 0.000 1.453 108 W HN -0.406 8.419 8.180 1.076 0.000 0.572 109 V N 8.097 128.157 119.914 0.243 0.000 2.278 109 V HA -0.561 3.634 4.120 0.125 0.000 0.251 109 V C 0.321 176.521 176.094 0.177 0.000 1.062 109 V CA 3.286 65.680 62.300 0.156 0.000 1.038 109 V CB -0.120 31.748 31.823 0.076 0.000 0.646 109 V HN 0.296 8.569 8.190 0.138 0.000 0.447 110 A N -0.946 122.010 122.820 0.227 0.000 1.841 110 A HA -0.280 4.110 4.320 0.117 0.000 0.216 110 A C 1.442 179.142 177.584 0.193 0.000 1.199 110 A CA 3.345 55.503 52.037 0.201 0.000 0.621 110 A CB -1.067 18.097 19.000 0.273 0.000 0.835 110 A HN 0.065 8.705 8.150 0.264 -0.331 0.445 111 W N -1.032 120.320 121.300 0.086 0.000 2.335 111 W HA -0.324 4.286 4.660 -0.084 0.000 0.311 111 W C 1.871 178.404 176.519 0.024 0.000 1.213 111 W CA 3.384 60.729 57.345 -0.000 0.000 1.274 111 W CB -0.185 29.263 29.460 -0.020 0.000 1.148 111 W HN -0.351 8.108 8.180 0.465 0.000 0.498 112 R N -2.879 117.742 120.500 0.201 0.000 2.159 112 R HA -0.521 3.824 4.340 0.007 0.000 0.249 112 R C 0.820 177.001 176.300 -0.198 0.000 1.136 112 R CA 3.756 59.863 56.100 0.011 0.000 0.951 112 R CB -0.130 30.247 30.300 0.129 0.000 0.876 112 R HN 0.349 8.777 8.270 0.440 0.105 0.440 113 N N -7.626 110.995 118.700 -0.131 0.000 2.382 113 N HA 0.132 4.770 4.740 -0.170 0.000 0.200 113 N C 0.786 176.216 175.510 -0.133 0.000 1.122 113 N CA 0.684 53.652 53.050 -0.137 0.000 0.870 113 N CB 1.955 40.396 38.487 -0.076 0.000 1.176 113 N HN -0.798 7.549 8.380 -0.054 0.000 0.474 114 R N -1.396 119.044 120.500 -0.101 0.000 2.189 114 R HA 0.063 4.399 4.340 -0.007 0.000 0.218 114 R C 1.195 177.450 176.300 -0.075 0.000 1.074 114 R CA 2.941 59.023 56.100 -0.030 0.000 0.991 114 R CB 0.403 30.727 30.300 0.040 0.000 0.883 114 R HN 0.315 8.540 8.270 -0.075 0.000 0.457 115 c N -2.221 116.194 118.600 -0.308 0.000 2.485 115 c HA 0.573 4.980 4.570 -0.272 0.000 0.445 115 c C 0.823 174.532 174.090 -0.636 0.000 1.404 115 c CA -0.119 55.921 56.329 -0.482 0.000 2.577 115 c CB 1.903 44.021 42.510 -0.654 0.000 2.780 115 c HN -0.119 7.768 8.230 -0.362 0.126 0.574 116 K N 3.438 123.188 120.400 -1.083 0.000 2.652 116 K HA -0.225 3.558 4.320 -0.895 0.000 0.239 116 K C -0.096 176.235 176.600 -0.448 0.000 1.235 116 K CA 1.283 56.981 56.287 -0.981 0.000 1.191 116 K CB -1.576 30.125 32.500 -1.332 0.000 1.348 116 K HN 0.596 7.954 8.250 -1.273 0.128 0.239 117 G N 2.268 110.897 108.800 -0.284 0.000 3.290 117 G HA2 -0.095 3.777 3.960 -0.146 0.000 0.220 117 G HA3 -0.095 3.791 3.960 -0.122 0.000 0.220 117 G C -0.470 174.390 174.900 -0.067 0.000 0.940 117 G CA 0.173 45.185 45.100 -0.147 0.000 0.884 117 G HN 0.630 8.683 8.290 -0.278 0.071 0.649 118 T N 1.064 115.598 114.554 -0.032 0.000 2.709 118 T HA 0.299 4.683 4.350 0.056 0.000 0.174 118 T C -1.124 173.660 174.700 0.141 0.000 0.774 118 T CA -0.271 61.878 62.100 0.083 0.000 1.309 118 T CB 1.444 70.422 68.868 0.183 0.000 2.586 118 T HN -0.318 7.763 8.240 -0.087 0.106 0.401 119 D N -0.289 120.296 120.400 0.308 0.000 2.596 119 D HA 0.150 4.902 4.640 0.186 0.000 0.234 119 D C -0.438 176.251 176.300 0.649 0.000 1.181 119 D CA -0.092 54.096 54.000 0.313 0.000 0.856 119 D CB 3.175 44.075 40.800 0.168 0.000 1.498 119 D HN -0.074 8.585 8.370 0.481 0.000 0.446 120 V N -0.762 119.423 119.914 0.453 0.000 3.070 120 V HA 0.312 4.955 4.120 0.870 0.000 0.345 120 V C -0.858 175.498 176.094 0.436 0.000 1.403 120 V CA 0.694 63.327 62.300 0.555 0.000 1.155 120 V CB 0.748 32.721 31.823 0.250 0.000 1.140 120 V HN 0.305 8.650 8.190 0.258 0.000 0.505 121 Q N 1.662 121.573 119.800 0.185 0.000 2.471 121 Q HA 0.106 4.505 4.340 0.099 0.000 0.241 121 Q C 1.228 177.123 176.000 -0.174 0.000 0.886 121 Q CA 1.872 57.694 55.803 0.031 0.000 0.953 121 Q CB 0.489 29.223 28.738 -0.006 0.000 1.108 121 Q HN 0.010 8.874 8.270 0.132 -0.515 0.575 122 A N 0.555 123.060 122.820 -0.525 0.000 2.178 122 A HA -0.169 3.910 4.320 -0.403 0.000 0.218 122 A C 1.135 178.290 177.584 -0.716 0.000 1.157 122 A CA 3.110 54.711 52.037 -0.728 0.000 0.689 122 A CB -0.807 17.576 19.000 -1.029 0.000 0.787 122 A HN 0.738 9.275 8.150 -0.498 -0.686 0.465 123 W N -7.507 113.825 121.300 0.054 0.000 3.220 123 W HA 0.043 4.749 4.660 0.077 0.000 0.328 123 W C -0.535 176.006 176.519 0.037 0.000 1.205 123 W CA 0.152 57.536 57.345 0.066 0.000 1.773 123 W CB -0.227 29.291 29.460 0.096 0.000 1.086 123 W HN -0.168 7.592 8.180 -0.568 0.079 0.622 124 I N -8.025 112.632 120.570 0.145 0.000 4.706 124 I HA 0.228 4.449 4.170 0.085 0.000 0.321 124 I C -0.393 175.745 176.117 0.035 0.000 1.249 124 I CA -0.803 60.554 61.300 0.096 0.000 1.321 124 I CB 1.742 39.814 38.000 0.119 0.000 1.342 124 I HN -0.374 7.681 8.210 0.054 0.187 0.463 125 R N 2.259 122.760 120.500 0.002 0.000 2.489 125 R HA -0.391 3.946 4.340 -0.006 0.000 0.287 125 R C 0.731 177.026 176.300 -0.008 0.000 0.902 125 R CA 2.703 58.793 56.100 -0.017 0.000 1.136 125 R CB -0.354 29.913 30.300 -0.054 0.000 0.872 125 R HN 0.539 8.684 8.270 -0.013 0.117 0.421 126 G N 5.370 114.168 108.800 -0.003 0.000 4.024 126 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.206 126 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.206 126 G C 0.131 175.034 174.900 0.005 0.000 1.608 126 G CA 0.227 45.327 45.100 0.000 0.000 1.221 126 G HN 0.427 8.716 8.290 -0.001 0.000 0.623 127 c N 5.511 124.116 118.600 0.008 0.000 3.837 127 c HA -0.078 4.496 4.570 0.007 0.000 0.585 127 c C 0.608 174.706 174.090 0.014 0.000 1.112 127 c CA -0.288 56.046 56.329 0.009 0.000 1.153 127 c CB -3.374 39.139 42.510 0.005 0.000 1.405 127 c HN 0.028 8.263 8.230 0.008 0.000 0.646 128 R N 5.002 125.510 120.500 0.013 0.000 4.432 128 R HA -0.195 4.157 4.340 0.020 0.000 0.165 128 R C -1.445 174.864 176.300 0.016 0.000 1.929 128 R CA 1.024 57.133 56.100 0.015 0.000 1.469 128 R CB -1.645 28.662 30.300 0.011 0.000 1.368 128 R HN 0.865 9.052 8.270 0.009 0.088 0.811 129 L N 0.000 121.234 121.223 0.018 0.000 2.949 129 L HA 0.000 4.350 4.340 0.016 0.000 0.249 129 L CA 0.000 54.850 54.840 0.017 0.000 0.813 129 L CB 0.000 42.066 42.059 0.013 0.000 0.961 129 L HN 0.000 8.164 8.230 0.020 0.078 0.502