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 3keg_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRILAVHASP RGERSQSRRL AEVFLAAYRE AHPQARVARR EVGRVPLPAV DATA SEQUENCE TEAFVAAAFH PQPEQRSLAM QADLALSDQL VGELFDSDLL VISTPMYNFS DATA SEQUENCE VPSGLKAWID QIVRLGVTFD FVXXXXXXQF RPLLRGKRAL IVTSRGGHGF DATA SEQUENCE GPGGENQAMN HADPWLRTAL GFIGIDEVTV VAAEGXXXXX XXXXXXXDEA DATA SEQUENCE EQRLLALARS 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 2 S HA 0.000 4.478 4.470 0.014 0.000 0.327 2 S C 0.000 174.628 174.600 0.047 0.000 1.055 2 S CA 0.000 58.221 58.200 0.034 0.000 1.107 2 S CB 0.000 63.213 63.200 0.022 0.000 0.593 3 R N 2.105 122.615 120.500 0.016 0.000 2.297 3 R HA 0.326 4.824 4.340 0.029 -0.140 0.308 3 R C -0.727 175.563 176.300 -0.016 0.000 1.029 3 R CA -0.244 55.865 56.100 0.015 0.000 0.929 3 R CB 1.260 31.572 30.300 0.020 0.000 1.046 3 R HN 0.051 8.638 8.270 0.008 -0.312 0.461 4 I N 3.467 124.024 120.570 -0.022 0.000 2.433 4 I HA 0.627 4.953 4.170 -0.070 -0.198 0.292 4 I C -1.948 174.148 176.117 -0.035 0.000 1.001 4 I CA -1.204 60.062 61.300 -0.056 0.000 1.119 4 I CB 3.572 41.516 38.000 -0.093 0.000 1.289 4 I HN 0.457 8.665 8.210 -0.003 0.000 0.438 5 L N 7.794 128.991 121.223 -0.044 0.000 2.280 5 L HA 0.682 5.163 4.340 -0.040 -0.165 0.287 5 L C -2.563 174.230 176.870 -0.127 0.000 1.023 5 L CA -1.815 52.995 54.840 -0.050 0.000 0.819 5 L CB 3.095 45.156 42.059 0.003 0.000 1.212 5 L HN 0.105 8.307 8.230 -0.047 0.000 0.420 6 A N 7.739 130.452 122.820 -0.178 0.000 2.256 6 A HA 0.778 5.107 4.320 -0.314 -0.197 0.317 6 A C -1.644 175.645 177.584 -0.491 0.000 1.318 6 A CA -2.259 49.581 52.037 -0.329 0.000 0.894 6 A CB 1.299 20.112 19.000 -0.311 0.000 1.165 6 A HN 1.034 9.097 8.150 -0.145 0.000 0.525 7 V N 7.221 126.806 119.914 -0.549 0.000 2.350 7 V HA 0.402 4.407 4.120 -0.547 -0.213 0.276 7 V C -0.876 174.902 176.094 -0.527 0.000 1.028 7 V CA -1.429 60.504 62.300 -0.613 0.000 0.860 7 V CB 1.115 32.390 31.823 -0.913 0.000 0.990 7 V HN 0.529 8.422 8.190 -0.495 0.000 0.453 8 H N 8.388 127.319 119.070 -0.231 0.000 2.519 8 H HA 0.577 5.035 4.556 -0.163 0.000 0.316 8 H C -0.764 174.463 175.328 -0.169 0.000 1.065 8 H CA -1.268 54.679 56.048 -0.168 0.000 1.264 8 H CB 1.724 31.419 29.762 -0.111 0.000 1.413 8 H HN -0.184 7.938 8.280 -0.263 0.000 0.465 9 A N 5.194 127.989 122.820 -0.042 0.000 2.229 9 A HA 0.215 4.480 4.320 -0.092 0.000 0.211 9 A C -1.104 176.402 177.584 -0.130 0.000 1.193 9 A CA -0.630 51.346 52.037 -0.100 0.000 0.879 9 A CB 1.445 20.369 19.000 -0.128 0.000 0.911 9 A HN 0.213 8.347 8.150 -0.027 0.000 0.492 10 S N -1.025 114.606 115.700 -0.116 0.000 2.549 10 S HA 0.012 4.350 4.470 -0.220 0.000 0.279 10 S C -1.279 173.280 174.600 -0.068 0.000 1.321 10 S CA -2.920 55.199 58.200 -0.134 0.000 1.054 10 S CB 0.685 63.824 63.200 -0.102 0.000 0.899 10 S HN -0.322 7.939 8.310 -0.082 0.000 0.497 11 P HA 0.030 4.505 4.420 0.004 -0.053 0.229 11 P C -0.444 176.861 177.300 0.008 0.000 1.160 11 P CA 0.397 63.506 63.100 0.014 0.000 0.777 11 P CB 0.367 32.111 31.700 0.073 0.000 0.814 12 R N -1.175 119.327 120.500 0.004 0.000 2.531 12 R HA 0.053 4.393 4.340 0.001 0.000 0.273 12 R C 0.819 177.099 176.300 -0.033 0.000 1.070 12 R CA 0.026 56.124 56.100 -0.005 0.000 1.112 12 R CB 0.891 31.194 30.300 0.005 0.000 1.049 12 R HN -0.660 7.572 8.270 0.005 0.041 0.508 13 G N 2.289 111.070 108.800 -0.032 0.000 2.756 13 G HA2 -0.062 3.859 3.960 -0.065 0.000 0.203 13 G HA3 -0.062 3.875 3.960 -0.039 0.000 0.203 13 G C 1.428 176.296 174.900 -0.054 0.000 2.015 13 G CA 0.834 45.905 45.100 -0.048 0.000 0.835 13 G HN 0.501 8.777 8.290 -0.022 0.000 0.648 14 E N -0.921 119.256 120.200 -0.038 0.000 2.160 14 E HA -0.231 4.095 4.350 -0.041 0.000 0.195 14 E C 1.257 177.839 176.600 -0.029 0.000 0.991 14 E CA 1.893 58.273 56.400 -0.034 0.000 0.810 14 E CB -0.678 29.009 29.700 -0.023 0.000 0.742 14 E HN 0.200 8.542 8.360 -0.031 0.000 0.466 15 R N -4.163 116.323 120.500 -0.023 0.000 2.307 15 R HA 0.013 4.345 4.340 -0.013 0.000 0.199 15 R C 0.370 176.659 176.300 -0.018 0.000 1.000 15 R CA -1.362 54.729 56.100 -0.015 0.000 1.023 15 R CB -0.572 29.723 30.300 -0.008 0.000 0.908 15 R HN -0.154 8.085 8.270 -0.021 0.018 0.473 16 S N 0.276 115.957 115.700 -0.032 0.000 2.465 16 S HA -0.083 4.373 4.470 -0.025 0.000 0.280 16 S C 0.652 175.230 174.600 -0.037 0.000 1.232 16 S CA -0.066 58.111 58.200 -0.038 0.000 1.066 16 S CB 0.507 63.667 63.200 -0.066 0.000 0.929 16 S HN -0.647 7.588 8.310 -0.040 0.051 0.494 17 Q N 9.779 129.564 119.800 -0.024 0.000 2.123 17 Q HA -0.300 4.031 4.340 -0.015 0.000 0.199 17 Q C 1.363 177.351 176.000 -0.020 0.000 0.966 17 Q CA 3.890 59.682 55.803 -0.017 0.000 0.845 17 Q CB -0.046 28.686 28.738 -0.010 0.000 0.907 17 Q HN 0.600 8.859 8.270 -0.019 0.000 0.439 18 S N 0.426 116.108 115.700 -0.030 0.000 2.387 18 S HA -0.261 4.198 4.470 -0.019 0.000 0.226 18 S C 1.842 176.432 174.600 -0.017 0.000 1.026 18 S CA 3.257 61.441 58.200 -0.027 0.000 0.972 18 S CB -0.924 62.250 63.200 -0.043 0.000 0.814 18 S HN -0.054 8.235 8.310 -0.035 0.000 0.477 19 R N 2.803 123.268 120.500 -0.059 0.000 2.073 19 R HA -0.305 3.950 4.340 -0.142 0.000 0.234 19 R C 1.763 178.005 176.300 -0.098 0.000 1.134 19 R CA 3.139 59.150 56.100 -0.148 0.000 0.952 19 R CB -0.038 30.107 30.300 -0.258 0.000 0.850 19 R HN -0.249 7.979 8.270 -0.070 0.000 0.433 20 R N -0.804 119.660 120.500 -0.060 0.000 2.083 20 R HA -0.291 4.028 4.340 -0.035 0.000 0.237 20 R C 2.482 178.792 176.300 0.016 0.000 1.137 20 R CA 3.278 59.363 56.100 -0.026 0.000 0.951 20 R CB -0.295 29.995 30.300 -0.018 0.000 0.851 20 R HN -0.571 7.664 8.270 -0.059 0.000 0.434 21 L N -2.356 118.881 121.223 0.022 0.000 2.046 21 L HA -0.343 4.029 4.340 0.054 0.000 0.208 21 L C 1.946 178.870 176.870 0.091 0.000 1.077 21 L CA 2.797 57.666 54.840 0.048 0.000 0.747 21 L CB -0.277 41.799 42.059 0.028 0.000 0.896 21 L HN -0.198 8.037 8.230 0.009 0.000 0.432 22 A N -1.899 120.975 122.820 0.091 0.000 1.969 22 A HA -0.320 4.075 4.320 0.126 0.000 0.218 22 A C 2.332 180.052 177.584 0.226 0.000 1.169 22 A CA 3.206 55.334 52.037 0.152 0.000 0.635 22 A CB -0.887 18.222 19.000 0.182 0.000 0.810 22 A HN -0.339 7.851 8.150 0.067 0.000 0.445 23 E N -1.794 118.500 120.200 0.157 0.000 2.216 23 E HA -0.203 4.246 4.350 0.164 0.000 0.192 23 E C 2.554 179.222 176.600 0.113 0.000 0.988 23 E CA 2.250 58.728 56.400 0.130 0.000 0.834 23 E CB -0.307 29.424 29.700 0.052 0.000 0.772 23 E HN -0.475 7.861 8.360 0.105 0.088 0.479 24 V N 0.349 120.331 119.914 0.112 0.000 2.343 24 V HA -0.492 3.669 4.120 0.068 0.000 0.247 24 V C 1.518 177.692 176.094 0.134 0.000 1.051 24 V CA 4.198 66.558 62.300 0.100 0.000 1.036 24 V CB -0.173 31.704 31.823 0.091 0.000 0.654 24 V HN -0.380 7.785 8.190 0.107 0.089 0.451 25 F N 0.922 120.903 119.950 0.052 0.000 2.134 25 F HA -0.313 4.261 4.527 0.079 0.000 0.299 25 F C 1.008 176.869 175.800 0.102 0.000 1.097 25 F CA 3.683 61.725 58.000 0.069 0.000 1.264 25 F CB 0.249 39.275 39.000 0.042 0.000 1.001 25 F HN -0.760 7.737 8.300 0.328 0.000 0.479 26 L N -2.176 119.109 121.223 0.104 0.000 2.093 26 L HA -0.465 3.812 4.340 -0.104 0.000 0.208 26 L C 2.096 178.959 176.870 -0.011 0.000 1.085 26 L CA 2.913 57.761 54.840 0.014 0.000 0.755 26 L CB -0.582 41.557 42.059 0.134 0.000 0.904 26 L HN -0.387 7.998 8.230 0.258 0.000 0.435 27 A N -1.387 121.439 122.820 0.010 0.000 1.898 27 A HA -0.297 4.031 4.320 0.013 0.000 0.216 27 A C 1.799 179.365 177.584 -0.030 0.000 1.181 27 A CA 2.930 54.970 52.037 0.004 0.000 0.620 27 A CB -0.941 18.067 19.000 0.014 0.000 0.819 27 A HN -0.212 7.959 8.150 0.034 0.000 0.442 28 A N -1.555 121.230 122.820 -0.058 0.000 1.902 28 A HA -0.261 4.019 4.320 -0.066 0.000 0.217 28 A C 1.616 179.123 177.584 -0.128 0.000 1.181 28 A CA 2.722 54.709 52.037 -0.083 0.000 0.623 28 A CB -0.710 18.250 19.000 -0.066 0.000 0.818 28 A HN -0.533 7.586 8.150 -0.051 0.000 0.443 29 Y N -0.290 119.808 120.300 -0.336 0.000 2.200 29 Y HA -0.313 4.107 4.550 -0.217 0.000 0.290 29 Y C 1.810 177.657 175.900 -0.089 0.000 1.137 29 Y CA 3.332 61.258 58.100 -0.290 0.000 1.163 29 Y CB 0.307 38.423 38.460 -0.574 0.000 0.988 29 Y HN -0.143 8.010 8.280 -0.212 0.000 0.518 30 R N -2.877 117.652 120.500 0.048 0.000 2.152 30 R HA -0.379 4.013 4.340 0.088 0.000 0.232 30 R C 1.823 178.083 176.300 -0.068 0.000 1.117 30 R CA 3.684 59.803 56.100 0.031 0.000 0.981 30 R CB -0.154 30.172 30.300 0.044 0.000 0.870 30 R HN -0.429 7.873 8.270 0.054 0.000 0.451 31 E N -1.440 118.694 120.200 -0.110 0.000 2.112 31 E HA -0.202 4.089 4.350 -0.099 0.000 0.190 31 E C 1.515 177.982 176.600 -0.222 0.000 0.979 31 E CA 2.105 58.427 56.400 -0.130 0.000 0.814 31 E CB -0.265 29.373 29.700 -0.103 0.000 0.762 31 E HN -0.766 7.400 8.360 -0.104 0.132 0.460 32 A N -2.389 120.213 122.820 -0.363 0.000 2.169 32 A HA -0.047 3.996 4.320 -0.462 0.000 0.212 32 A C -0.148 176.847 177.584 -0.981 0.000 1.153 32 A CA 1.392 53.054 52.037 -0.625 0.000 0.756 32 A CB 0.612 19.186 19.000 -0.711 0.000 0.813 32 A HN -0.632 7.307 8.150 -0.351 0.000 0.471 33 H N -3.478 115.398 119.070 -0.322 0.000 2.651 33 H HA 0.280 4.723 4.556 -0.189 0.000 0.252 33 H C -2.408 172.844 175.328 -0.127 0.000 1.365 33 H CA -2.750 53.147 56.048 -0.251 0.000 1.539 33 H CB -0.065 29.463 29.762 -0.390 0.000 1.621 33 H HN -0.538 7.372 8.280 -0.364 0.152 0.526 34 P HA -0.088 4.453 4.420 -0.016 -0.131 0.222 34 P C 0.655 177.968 177.300 0.021 0.000 1.147 34 P CA 1.348 64.442 63.100 -0.010 0.000 0.790 34 P CB 0.696 32.379 31.700 -0.028 0.000 0.780 35 Q N -4.822 115.001 119.800 0.039 0.000 2.392 35 Q HA -0.020 4.339 4.340 0.033 0.000 0.203 35 Q C -0.326 175.710 176.000 0.060 0.000 0.917 35 Q CA -0.992 54.836 55.803 0.042 0.000 0.939 35 Q CB -1.495 27.265 28.738 0.037 0.000 1.063 35 Q HN 0.123 8.371 8.270 0.046 0.050 0.516 36 A N 0.750 123.624 122.820 0.090 0.000 2.507 36 A HA -0.175 4.212 4.320 0.112 0.000 0.235 36 A C -0.707 176.930 177.584 0.089 0.000 1.070 36 A CA 0.740 52.850 52.037 0.122 0.000 0.768 36 A CB 0.565 19.702 19.000 0.228 0.000 1.011 36 A HN -0.604 7.548 8.150 0.097 0.056 0.502 37 R N -0.330 120.216 120.500 0.076 0.000 2.514 37 R HA 0.408 4.780 4.340 0.053 0.000 0.301 37 R C -1.655 174.674 176.300 0.049 0.000 0.962 37 R CA -2.203 53.930 56.100 0.055 0.000 0.882 37 R CB 1.759 32.085 30.300 0.042 0.000 1.143 37 R HN 0.119 8.435 8.270 0.077 0.000 0.452 38 V N 3.212 123.152 119.914 0.042 0.000 2.495 38 V HA 0.582 4.882 4.120 0.018 -0.169 0.298 38 V C -0.820 175.287 176.094 0.022 0.000 1.031 38 V CA -1.192 61.125 62.300 0.028 0.000 0.871 38 V CB 2.633 34.478 31.823 0.037 0.000 0.988 38 V HN 0.446 8.662 8.190 0.043 0.000 0.432 39 A N 8.342 131.168 122.820 0.010 0.000 2.318 39 A HA 0.503 4.834 4.320 0.019 0.000 0.324 39 A C -2.066 175.508 177.584 -0.016 0.000 1.170 39 A CA -1.357 50.686 52.037 0.010 0.000 0.810 39 A CB 2.712 21.725 19.000 0.022 0.000 1.198 39 A HN 0.745 8.896 8.150 0.001 0.000 0.484 40 R N 2.403 122.899 120.500 -0.008 0.000 2.338 40 R HA 0.652 5.110 4.340 -0.098 -0.177 0.317 40 R C -0.492 175.789 176.300 -0.032 0.000 0.968 40 R CA -0.845 55.234 56.100 -0.035 0.000 0.849 40 R CB 2.247 32.567 30.300 0.033 0.000 1.128 40 R HN 0.337 8.614 8.270 0.011 0.000 0.448 41 R N 5.134 125.575 120.500 -0.098 0.000 2.337 41 R HA 0.262 4.592 4.340 -0.016 0.000 0.319 41 R C -1.724 174.512 176.300 -0.107 0.000 0.954 41 R CA -2.109 53.945 56.100 -0.078 0.000 0.840 41 R CB 1.772 32.018 30.300 -0.090 0.000 1.164 41 R HN 0.618 8.782 8.270 -0.178 0.000 0.472 42 E N 7.328 127.515 120.200 -0.023 0.000 2.152 42 E HA -0.034 4.322 4.350 0.010 0.000 0.285 42 E C -0.242 176.349 176.600 -0.016 0.000 1.043 42 E CA -0.396 56.004 56.400 -0.001 0.000 0.839 42 E CB -0.074 29.644 29.700 0.029 0.000 1.069 42 E HN 0.497 8.860 8.360 0.004 0.000 0.399 43 V N 2.110 121.997 119.914 -0.044 0.000 3.346 43 V HA 0.636 4.766 4.120 0.018 0.000 0.309 43 V C -1.304 174.783 176.094 -0.011 0.000 1.457 43 V CA -1.140 61.148 62.300 -0.020 0.000 1.069 43 V CB 1.582 33.373 31.823 -0.053 0.000 0.944 43 V HN 0.186 8.341 8.190 -0.059 0.000 0.449 44 G N 1.020 109.811 108.800 -0.016 0.000 2.662 44 G HA2 0.182 4.168 3.960 -0.025 0.000 0.207 44 G HA3 0.182 4.210 3.960 -0.033 -0.088 0.207 44 G C 0.271 175.171 174.900 -0.001 0.000 1.154 44 G CA 0.559 45.647 45.100 -0.020 0.000 0.837 44 G HN -0.506 7.997 8.290 -0.011 -0.219 0.580 45 R N -1.367 119.133 120.500 0.002 0.000 2.297 45 R HA -0.041 4.304 4.340 0.007 0.000 0.197 45 R C -0.620 175.688 176.300 0.013 0.000 0.943 45 R CA 0.690 56.793 56.100 0.006 0.000 1.038 45 R CB 0.501 30.800 30.300 -0.001 0.000 0.957 45 R HN -0.237 8.367 8.270 0.001 -0.334 0.484 46 V N -0.038 119.886 119.914 0.018 0.000 2.789 46 V HA 0.302 4.435 4.120 0.022 0.000 0.311 46 V C -2.560 173.552 176.094 0.030 0.000 1.073 46 V CA -3.922 58.392 62.300 0.024 0.000 0.921 46 V CB 2.990 34.830 31.823 0.027 0.000 1.009 46 V HN -0.707 7.438 8.190 0.017 0.055 0.426 47 P HA 0.063 4.503 4.420 0.033 0.000 0.276 47 P C -1.546 175.780 177.300 0.044 0.000 1.230 47 P CA -0.174 62.946 63.100 0.033 0.000 0.776 47 P CB 0.331 32.048 31.700 0.028 0.000 0.888 48 L N 4.320 125.573 121.223 0.051 0.000 2.296 48 L HA 0.337 4.716 4.340 0.066 0.000 0.286 48 L C -1.202 175.691 176.870 0.038 0.000 1.023 48 L CA -2.811 52.067 54.840 0.062 0.000 0.812 48 L CB 0.824 42.943 42.059 0.100 0.000 1.223 48 L HN 0.005 8.264 8.230 0.048 0.000 0.421 49 P HA 0.027 4.453 4.420 0.011 0.000 0.265 49 P C -1.736 175.548 177.300 -0.028 0.000 1.193 49 P CA -0.473 62.632 63.100 0.008 0.000 0.765 49 P CB 0.585 32.296 31.700 0.019 0.000 0.823 50 A N 3.236 126.035 122.820 -0.036 0.000 2.332 50 A HA -0.010 4.259 4.320 -0.085 0.000 0.258 50 A C 0.234 177.737 177.584 -0.134 0.000 1.087 50 A CA -0.543 51.450 52.037 -0.074 0.000 0.802 50 A CB 1.155 20.127 19.000 -0.047 0.000 1.042 50 A HN 0.072 8.210 8.150 -0.020 0.000 0.489 51 V N 1.033 120.808 119.914 -0.230 0.000 2.599 51 V HA -0.164 3.641 4.120 -0.526 0.000 0.300 51 V C 0.548 176.599 176.094 -0.071 0.000 1.034 51 V CA 0.783 62.884 62.300 -0.332 0.000 1.115 51 V CB 0.275 31.863 31.823 -0.393 0.000 0.934 51 V HN 0.220 8.278 8.190 -0.220 0.000 0.485 52 T N 4.345 118.930 114.554 0.053 0.000 2.938 52 T HA 0.260 4.644 4.350 0.057 0.000 0.285 52 T C 0.330 175.126 174.700 0.160 0.000 1.028 52 T CA -2.450 59.709 62.100 0.098 0.000 1.005 52 T CB 2.611 71.540 68.868 0.101 0.000 1.157 52 T HN -0.533 7.776 8.240 0.115 0.000 0.550 53 E N 0.306 120.573 120.200 0.112 0.000 2.153 53 E HA -0.281 4.138 4.350 0.115 0.000 0.194 53 E C 1.830 178.509 176.600 0.132 0.000 0.988 53 E CA 2.978 59.443 56.400 0.108 0.000 0.811 53 E CB -0.385 29.352 29.700 0.063 0.000 0.746 53 E HN 0.608 9.019 8.360 0.084 0.000 0.466 54 A N -1.284 121.615 122.820 0.131 0.000 1.898 54 A HA -0.224 4.152 4.320 0.093 0.000 0.216 54 A C 1.595 179.274 177.584 0.160 0.000 1.181 54 A CA 2.750 54.859 52.037 0.121 0.000 0.620 54 A CB -0.978 18.084 19.000 0.103 0.000 0.819 54 A HN 0.065 8.276 8.150 0.121 0.012 0.442 55 F N -0.185 119.808 119.950 0.072 0.000 2.126 55 F HA -0.426 4.147 4.527 0.076 0.000 0.299 55 F C 1.427 177.312 175.800 0.142 0.000 1.096 55 F CA 3.666 61.719 58.000 0.088 0.000 1.255 55 F CB 0.327 39.375 39.000 0.080 0.000 0.997 55 F HN -0.712 7.719 8.300 0.348 0.077 0.479 56 V N -0.911 119.240 119.914 0.394 0.000 2.343 56 V HA -0.669 3.782 4.120 0.551 0.000 0.247 56 V C 1.615 177.858 176.094 0.248 0.000 1.051 56 V CA 4.386 66.910 62.300 0.374 0.000 1.036 56 V CB -0.373 31.602 31.823 0.254 0.000 0.654 56 V HN -0.401 8.035 8.190 0.410 0.000 0.451 57 A N -1.568 121.335 122.820 0.138 0.000 1.930 57 A HA -0.323 4.051 4.320 0.090 0.000 0.217 57 A C 0.943 178.575 177.584 0.079 0.000 1.175 57 A CA 2.975 55.064 52.037 0.087 0.000 0.627 57 A CB -0.687 18.342 19.000 0.049 0.000 0.815 57 A HN -0.375 7.854 8.150 0.131 0.000 0.443 58 A N -3.335 119.501 122.820 0.027 0.000 1.874 58 A HA -0.247 4.130 4.320 0.095 0.000 0.214 58 A C 1.701 179.231 177.584 -0.090 0.000 1.189 58 A CA 2.188 54.221 52.037 -0.007 0.000 0.615 58 A CB 0.023 18.974 19.000 -0.081 0.000 0.830 58 A HN -0.675 7.477 8.150 0.003 0.000 0.443 59 A N -1.775 120.883 122.820 -0.270 0.000 1.969 59 A HA -0.209 3.844 4.320 -0.445 0.000 0.218 59 A C 1.274 178.627 177.584 -0.386 0.000 1.169 59 A CA 2.480 54.248 52.037 -0.448 0.000 0.635 59 A CB 0.112 18.651 19.000 -0.768 0.000 0.810 59 A HN -0.163 7.796 8.150 -0.318 0.000 0.445 60 F N -5.742 114.204 119.950 -0.006 0.000 2.684 60 F HA 0.089 4.673 4.527 0.094 0.000 0.298 60 F C -0.845 175.011 175.800 0.093 0.000 1.120 60 F CA -0.950 57.094 58.000 0.073 0.000 1.332 60 F CB -0.074 38.982 39.000 0.093 0.000 0.986 60 F HN -0.819 7.641 8.300 0.267 0.000 0.524 61 H N 4.332 123.453 119.070 0.084 0.000 3.125 61 H HA -0.032 4.566 4.556 0.071 0.000 0.310 61 H C -0.455 174.906 175.328 0.055 0.000 0.980 61 H CA 0.689 56.768 56.048 0.052 0.000 1.422 61 H CB 0.726 30.484 29.762 -0.007 0.000 1.432 61 H HN -0.951 7.287 8.280 0.211 0.169 0.577 62 P HA 0.083 4.622 4.420 0.197 0.000 0.229 62 P C -1.019 176.409 177.300 0.213 0.000 1.160 62 P CA 0.977 64.208 63.100 0.218 0.000 0.777 62 P CB 0.994 32.772 31.700 0.129 0.000 0.814 63 Q N -2.873 117.153 119.800 0.377 0.000 3.122 63 Q HA 0.544 4.909 4.340 0.041 0.000 0.282 63 Q C -1.759 174.106 176.000 -0.226 0.000 0.947 63 Q CA -2.716 53.149 55.803 0.104 0.000 0.812 63 Q CB 0.880 29.698 28.738 0.133 0.000 1.333 63 Q HN -0.523 8.229 8.270 0.863 0.036 0.430 64 P HA -0.216 3.924 4.420 -0.467 0.000 0.219 64 P C 0.736 177.850 177.300 -0.310 0.000 1.146 64 P CA 1.995 64.898 63.100 -0.328 0.000 0.808 64 P CB 0.137 31.735 31.700 -0.171 0.000 0.779 65 E N -1.422 118.648 120.200 -0.215 0.000 2.409 65 E HA -0.174 4.088 4.350 -0.147 0.000 0.198 65 E C 1.012 177.512 176.600 -0.166 0.000 1.024 65 E CA 2.155 58.460 56.400 -0.159 0.000 0.861 65 E CB -1.588 28.048 29.700 -0.106 0.000 0.788 65 E HN 0.571 8.791 8.360 -0.179 0.033 0.521 66 Q N -2.431 117.223 119.800 -0.243 0.000 2.282 66 Q HA 0.039 4.313 4.340 -0.110 0.000 0.206 66 Q C -0.366 175.512 176.000 -0.203 0.000 0.878 66 Q CA -0.698 54.998 55.803 -0.178 0.000 0.944 66 Q CB 0.734 29.417 28.738 -0.092 0.000 1.100 66 Q HN -0.539 7.365 8.270 -0.339 0.162 0.509 67 R N 0.274 120.584 120.500 -0.316 0.000 2.583 67 R HA -0.270 3.983 4.340 -0.145 0.000 0.274 67 R C 0.328 176.587 176.300 -0.068 0.000 0.998 67 R CA 0.849 56.836 56.100 -0.187 0.000 1.081 67 R CB 0.240 30.435 30.300 -0.176 0.000 0.940 67 R HN -0.793 7.206 8.270 -0.370 0.050 0.413 68 S N 2.541 118.237 115.700 -0.006 0.000 2.608 68 S HA -0.072 4.395 4.470 -0.006 0.000 0.261 68 S C 1.278 175.873 174.600 -0.008 0.000 1.314 68 S CA -0.726 57.474 58.200 0.001 0.000 0.992 68 S CB 1.347 64.561 63.200 0.023 0.000 0.935 68 S HN 0.123 8.451 8.310 0.030 0.000 0.564 69 L N 1.321 122.540 121.223 -0.006 0.000 2.079 69 L HA -0.288 4.044 4.340 -0.013 0.000 0.210 69 L C 2.018 178.889 176.870 0.001 0.000 1.081 69 L CA 2.706 57.542 54.840 -0.006 0.000 0.752 69 L CB -1.772 40.285 42.059 -0.003 0.000 0.896 69 L HN 0.465 8.693 8.230 -0.003 0.000 0.433 70 A N -2.159 120.667 122.820 0.010 0.000 1.898 70 A HA -0.348 3.983 4.320 0.017 0.000 0.216 70 A C 2.018 179.613 177.584 0.020 0.000 1.181 70 A CA 2.836 54.884 52.037 0.017 0.000 0.620 70 A CB -0.696 18.317 19.000 0.022 0.000 0.819 70 A HN 0.112 8.259 8.150 0.011 0.010 0.442 71 M N -1.697 117.913 119.600 0.018 0.000 2.132 71 M HA -0.436 4.221 4.480 0.023 -0.164 0.263 71 M C 2.629 178.923 176.300 -0.010 0.000 1.065 71 M CA 3.658 58.966 55.300 0.014 0.000 1.122 71 M CB 0.117 32.736 32.600 0.031 0.000 1.365 71 M HN -0.637 7.664 8.290 0.019 0.000 0.411 72 Q N -2.114 117.674 119.800 -0.019 0.000 2.170 72 Q HA -0.316 3.995 4.340 -0.047 0.000 0.203 72 Q C 2.809 178.803 176.000 -0.011 0.000 0.976 72 Q CA 2.784 58.568 55.803 -0.031 0.000 0.858 72 Q CB -0.281 28.436 28.738 -0.035 0.000 0.907 72 Q HN -0.435 7.825 8.270 -0.017 0.000 0.433 73 A N -0.212 122.611 122.820 0.005 0.000 1.930 73 A HA -0.179 4.151 4.320 0.017 0.000 0.217 73 A C 2.193 179.800 177.584 0.038 0.000 1.175 73 A CA 2.701 54.749 52.037 0.020 0.000 0.627 73 A CB -0.607 18.406 19.000 0.022 0.000 0.815 73 A HN -0.396 7.657 8.150 0.005 0.099 0.443 74 D N -1.478 118.947 120.400 0.042 0.000 2.264 74 D HA -0.160 4.539 4.640 0.098 0.000 0.208 74 D C 0.804 177.166 176.300 0.103 0.000 0.966 74 D CA 2.518 56.566 54.000 0.080 0.000 0.864 74 D CB -0.192 40.654 40.800 0.077 0.000 0.933 74 D HN -0.398 7.896 8.370 0.030 0.095 0.499 75 L N -3.488 117.755 121.223 0.033 0.000 2.728 75 L HA 0.347 4.737 4.340 0.082 0.000 0.238 75 L C 0.340 177.232 176.870 0.036 0.000 1.143 75 L CA -1.199 53.652 54.840 0.019 0.000 0.937 75 L CB -0.093 41.908 42.059 -0.096 0.000 1.225 75 L HN -0.833 7.252 8.230 0.008 0.149 0.507 76 A N 2.110 124.954 122.820 0.041 0.000 1.858 76 A HA -0.260 4.068 4.320 0.013 0.000 0.216 76 A C 1.470 179.082 177.584 0.048 0.000 1.190 76 A CA 3.289 55.345 52.037 0.031 0.000 0.617 76 A CB -0.579 18.439 19.000 0.029 0.000 0.827 76 A HN -0.557 7.459 8.150 0.046 0.163 0.443 77 L N -1.270 119.995 121.223 0.071 0.000 2.046 77 L HA -0.365 4.017 4.340 0.070 0.000 0.208 77 L C 1.539 178.459 176.870 0.084 0.000 1.077 77 L CA 2.800 57.687 54.840 0.079 0.000 0.747 77 L CB -0.755 41.356 42.059 0.087 0.000 0.896 77 L HN 0.054 8.332 8.230 0.079 0.000 0.432 78 S N -0.849 114.919 115.700 0.113 0.000 2.359 78 S HA -0.473 4.051 4.470 0.090 0.000 0.224 78 S C 1.693 176.322 174.600 0.049 0.000 1.035 78 S CA 3.756 62.024 58.200 0.113 0.000 1.018 78 S CB -0.477 62.867 63.200 0.240 0.000 0.876 78 S HN 0.161 8.557 8.310 0.142 0.000 0.448 79 D N 1.060 121.475 120.400 0.026 0.000 2.117 79 D HA -0.308 4.313 4.640 -0.031 0.000 0.197 79 D C 2.244 178.547 176.300 0.005 0.000 0.987 79 D CA 3.238 57.231 54.000 -0.011 0.000 0.829 79 D CB -0.522 40.259 40.800 -0.031 0.000 0.961 79 D HN -0.266 8.123 8.370 0.031 0.000 0.460 80 Q N 0.508 120.326 119.800 0.030 0.000 2.050 80 Q HA -0.262 4.100 4.340 0.037 0.000 0.202 80 Q C 2.497 178.544 176.000 0.079 0.000 0.980 80 Q CA 3.172 59.004 55.803 0.048 0.000 0.840 80 Q CB 0.000 28.773 28.738 0.057 0.000 0.898 80 Q HN -0.659 7.632 8.270 0.036 0.000 0.424 81 L N -1.571 119.706 121.223 0.091 0.000 2.046 81 L HA -0.280 4.185 4.340 0.209 0.000 0.208 81 L C 2.681 179.615 176.870 0.107 0.000 1.077 81 L CA 2.731 57.654 54.840 0.139 0.000 0.747 81 L CB -0.005 42.109 42.059 0.092 0.000 0.896 81 L HN -0.220 8.057 8.230 0.078 0.000 0.432 82 V N -1.326 118.615 119.914 0.045 0.000 2.407 82 V HA -0.556 3.602 4.120 0.064 0.000 0.248 82 V C 1.925 178.104 176.094 0.142 0.000 1.055 82 V CA 4.409 66.751 62.300 0.070 0.000 1.049 82 V CB -0.338 31.502 31.823 0.028 0.000 0.662 82 V HN 0.028 8.234 8.190 0.026 0.000 0.455 83 G N -1.501 107.347 108.800 0.080 0.000 2.440 83 G HA2 -0.392 3.606 3.960 0.063 0.000 0.218 83 G HA3 -0.392 3.594 3.960 0.043 0.000 0.218 83 G C 0.900 175.889 174.900 0.147 0.000 1.154 83 G CA 2.099 47.248 45.100 0.083 0.000 0.767 83 G HN -0.203 8.116 8.290 0.049 0.000 0.552 84 E N 0.224 120.509 120.200 0.141 0.000 2.110 84 E HA -0.281 4.139 4.350 0.117 0.000 0.193 84 E C 1.369 178.067 176.600 0.163 0.000 0.988 84 E CA 2.347 58.833 56.400 0.144 0.000 0.804 84 E CB -0.101 29.692 29.700 0.156 0.000 0.745 84 E HN -0.660 7.781 8.360 0.135 0.000 0.458 85 L N -1.611 119.734 121.223 0.203 0.000 2.072 85 L HA -0.202 4.236 4.340 0.165 0.000 0.205 85 L C 1.241 178.191 176.870 0.133 0.000 1.079 85 L CA 1.581 56.529 54.840 0.179 0.000 0.752 85 L CB 0.145 42.313 42.059 0.181 0.000 0.906 85 L HN -0.784 7.477 8.230 0.213 0.097 0.436 86 F N -1.551 118.418 119.950 0.032 0.000 2.171 86 F HA -0.448 4.086 4.527 0.012 0.000 0.300 86 F C 1.870 177.679 175.800 0.016 0.000 1.090 86 F CA 3.996 62.005 58.000 0.015 0.000 1.293 86 F CB 0.280 39.283 39.000 0.005 0.000 1.013 86 F HN -0.148 8.399 8.300 0.412 0.000 0.486 87 D N -3.911 116.606 120.400 0.194 0.000 2.349 87 D HA -0.001 4.710 4.640 0.119 0.000 0.224 87 D C -0.858 175.479 176.300 0.063 0.000 1.029 87 D CA 0.781 54.851 54.000 0.117 0.000 0.879 87 D CB -0.152 40.708 40.800 0.101 0.000 0.906 87 D HN -0.416 8.060 8.370 0.204 0.017 0.528 88 S N -2.192 113.534 115.700 0.043 0.000 2.578 88 S HA 0.122 4.601 4.470 0.014 0.000 0.301 88 S C -0.878 173.711 174.600 -0.018 0.000 1.091 88 S CA -1.127 57.081 58.200 0.013 0.000 1.032 88 S CB 2.952 66.163 63.200 0.019 0.000 1.064 88 S HN -0.761 7.403 8.310 0.048 0.174 0.508 89 D N 1.290 121.675 120.400 -0.025 0.000 2.431 89 D HA 0.207 4.821 4.640 -0.044 0.000 0.235 89 D C -1.186 175.086 176.300 -0.047 0.000 0.980 89 D CA 2.442 56.419 54.000 -0.037 0.000 0.912 89 D CB 2.451 43.235 40.800 -0.027 0.000 1.056 89 D HN 0.533 8.784 8.370 -0.022 0.106 0.494 90 L N -0.110 121.078 121.223 -0.058 0.000 2.325 90 L HA 0.556 5.018 4.340 -0.068 -0.164 0.281 90 L C -2.773 174.051 176.870 -0.076 0.000 1.004 90 L CA -0.922 53.872 54.840 -0.077 0.000 0.823 90 L CB 3.095 45.083 42.059 -0.118 0.000 1.236 90 L HN -0.583 7.612 8.230 -0.059 0.000 0.415 91 L N 8.187 129.367 121.223 -0.072 0.000 2.264 91 L HA 0.651 5.110 4.340 -0.072 -0.163 0.289 91 L C -2.206 174.585 176.870 -0.132 0.000 1.044 91 L CA -1.498 53.297 54.840 -0.075 0.000 0.807 91 L CB 2.256 44.303 42.059 -0.019 0.000 1.192 91 L HN 0.611 8.800 8.230 -0.068 0.000 0.425 92 V N 8.290 128.103 119.914 -0.170 0.000 2.357 92 V HA 0.509 4.691 4.120 -0.232 -0.202 0.284 92 V C -1.337 174.603 176.094 -0.257 0.000 1.018 92 V CA -1.185 60.984 62.300 -0.218 0.000 0.841 92 V CB 1.458 33.165 31.823 -0.194 0.000 0.991 92 V HN 0.734 8.825 8.190 -0.166 0.000 0.437 93 I N 8.448 128.879 120.570 -0.233 0.000 2.362 93 I HA 0.561 4.739 4.170 -0.318 -0.198 0.289 93 I C -1.046 174.970 176.117 -0.168 0.000 0.994 93 I CA -1.414 59.740 61.300 -0.244 0.000 1.158 93 I CB 2.039 39.916 38.000 -0.205 0.000 1.315 93 I HN 0.403 8.489 8.210 -0.207 0.000 0.451 94 S N 7.272 122.895 115.700 -0.129 0.000 2.475 94 S HA 1.038 5.722 4.470 -0.059 -0.249 0.298 94 S C -0.781 173.782 174.600 -0.063 0.000 1.119 94 S CA -1.675 56.501 58.200 -0.041 0.000 1.085 94 S CB 2.168 65.430 63.200 0.103 0.000 1.028 94 S HN 0.399 8.613 8.310 -0.160 0.000 0.489 95 T N 2.678 117.186 114.554 -0.078 0.000 3.012 95 T HA 0.439 4.704 4.350 -0.142 0.000 0.330 95 T C -3.004 171.614 174.700 -0.136 0.000 1.321 95 T CA -2.837 59.192 62.100 -0.119 0.000 1.067 95 T CB 1.967 70.776 68.868 -0.099 0.000 1.235 95 T HN 0.683 8.881 8.240 -0.070 0.000 0.479 96 P HA 0.268 4.768 4.420 -0.123 -0.154 0.276 96 P C -1.509 175.678 177.300 -0.189 0.000 1.252 96 P CA -0.703 62.272 63.100 -0.208 0.000 0.802 96 P CB 1.114 32.609 31.700 -0.341 0.000 1.035 97 M N 1.241 120.779 119.600 -0.103 0.000 2.084 97 M HA 0.312 4.895 4.480 -0.100 -0.163 0.351 97 M C -1.311 175.022 176.300 0.055 0.000 1.240 97 M CA -0.152 55.086 55.300 -0.103 0.000 1.083 97 M CB 1.433 33.891 32.600 -0.236 0.000 1.593 97 M HN -0.479 7.760 8.290 -0.086 0.000 0.463 98 Y N 6.653 126.843 120.300 -0.182 0.000 2.369 98 Y HA 0.150 4.572 4.550 -0.214 0.000 0.337 98 Y C -0.400 175.361 175.900 -0.231 0.000 0.961 98 Y CA -2.741 55.244 58.100 -0.191 0.000 1.186 98 Y CB 0.160 38.547 38.460 -0.121 0.000 1.139 98 Y HN 0.349 8.669 8.280 0.067 0.000 0.494 99 N N 6.073 124.615 118.700 -0.264 0.000 2.705 99 N HA -0.407 3.897 4.740 -0.727 0.000 0.255 99 N C -1.257 174.134 175.510 -0.198 0.000 1.008 99 N CA 1.438 54.258 53.050 -0.383 0.000 0.742 99 N CB -1.087 37.326 38.487 -0.123 0.000 0.906 99 N HN 0.782 8.961 8.380 -0.336 0.000 0.541 100 F N -11.069 108.847 119.950 -0.056 0.000 2.953 100 F HA -0.551 3.878 4.527 -0.165 0.000 0.292 100 F C -0.841 174.965 175.800 0.010 0.000 0.747 100 F CA 1.177 59.147 58.000 -0.050 0.000 1.222 100 F CB -2.862 36.176 39.000 0.062 0.000 1.457 100 F HN 0.185 8.069 8.300 -0.693 0.000 0.383 101 S N -3.407 112.338 115.700 0.075 0.000 3.359 101 S HA 0.330 4.972 4.470 0.092 -0.116 0.323 101 S C -1.894 172.710 174.600 0.008 0.000 1.143 101 S CA -1.808 56.417 58.200 0.043 0.000 0.989 101 S CB 1.582 64.754 63.200 -0.047 0.000 1.375 101 S HN -0.633 7.514 8.310 0.014 0.171 0.728 102 V N -3.767 116.137 119.914 -0.016 0.000 2.850 102 V HA 0.803 4.884 4.120 -0.065 0.000 0.315 102 V C -2.047 174.012 176.094 -0.059 0.000 1.064 102 V CA -3.960 58.322 62.300 -0.029 0.000 0.979 102 V CB 0.730 32.598 31.823 0.075 0.000 1.039 102 V HN 0.189 8.339 8.190 -0.066 0.000 0.452 103 P HA -0.008 4.450 4.420 0.063 0.000 0.267 103 P C 0.050 177.341 177.300 -0.015 0.000 1.201 103 P CA -0.014 63.023 63.100 -0.105 0.000 0.775 103 P CB 0.400 31.910 31.700 -0.318 0.000 0.854 104 S N 2.023 117.740 115.700 0.029 0.000 2.419 104 S HA -0.233 4.229 4.470 -0.013 0.000 0.233 104 S C 2.414 177.031 174.600 0.027 0.000 1.016 104 S CA 2.894 61.100 58.200 0.011 0.000 0.974 104 S CB -0.290 62.918 63.200 0.013 0.000 0.786 104 S HN 0.269 8.620 8.310 0.068 0.000 0.492 105 G N 1.898 110.718 108.800 0.032 0.000 2.422 105 G HA2 -0.208 3.787 3.960 0.058 0.000 0.218 105 G HA3 -0.208 3.950 3.960 0.038 -0.176 0.218 105 G C 0.758 175.719 174.900 0.101 0.000 1.146 105 G CA 1.445 46.576 45.100 0.052 0.000 0.769 105 G HN 0.239 8.518 8.290 0.023 0.025 0.547 106 L N 1.411 122.687 121.223 0.089 0.000 2.109 106 L HA -0.136 4.322 4.340 0.196 0.000 0.207 106 L C 1.190 178.243 176.870 0.305 0.000 1.086 106 L CA 1.858 56.804 54.840 0.177 0.000 0.760 106 L CB -0.277 41.848 42.059 0.110 0.000 0.910 106 L HN -0.689 7.566 8.230 0.043 0.000 0.437 107 K N -0.272 120.247 120.400 0.198 0.000 2.063 107 K HA -0.413 4.120 4.320 0.356 0.000 0.208 107 K C 1.619 178.323 176.600 0.172 0.000 1.048 107 K CA 2.773 59.170 56.287 0.183 0.000 0.928 107 K CB -0.583 31.891 32.500 -0.043 0.000 0.713 107 K HN -0.767 7.551 8.250 0.113 0.000 0.442 108 A N -1.827 121.065 122.820 0.120 0.000 1.930 108 A HA -0.185 4.144 4.320 0.014 0.000 0.217 108 A C 1.400 179.054 177.584 0.117 0.000 1.175 108 A CA 2.763 54.843 52.037 0.072 0.000 0.627 108 A CB -0.765 18.265 19.000 0.050 0.000 0.815 108 A HN -0.459 7.756 8.150 0.108 0.000 0.443 109 W N -0.851 120.466 121.300 0.029 0.000 2.354 109 W HA -0.390 4.284 4.660 0.023 0.000 0.315 109 W C 1.574 178.125 176.519 0.054 0.000 1.206 109 W CA 4.463 61.828 57.345 0.035 0.000 1.290 109 W CB 0.090 29.570 29.460 0.034 0.000 1.152 109 W HN -0.664 7.655 8.180 0.370 0.084 0.489 110 I N -2.659 118.013 120.570 0.171 0.000 2.194 110 I HA -0.646 3.361 4.170 -0.271 0.000 0.246 110 I C 2.075 178.143 176.117 -0.082 0.000 1.093 110 I CA 3.532 64.819 61.300 -0.021 0.000 1.355 110 I CB -1.037 37.110 38.000 0.245 0.000 1.046 110 I HN -0.442 8.017 8.210 0.414 0.000 0.413 111 D N -3.589 116.803 120.400 -0.013 0.000 2.310 111 D HA -0.205 4.432 4.640 -0.005 0.000 0.212 111 D C 1.116 177.324 176.300 -0.153 0.000 0.965 111 D CA 2.397 56.360 54.000 -0.062 0.000 0.879 111 D CB -0.531 40.212 40.800 -0.095 0.000 0.921 111 D HN -0.424 7.970 8.370 0.041 0.000 0.510 112 Q N -4.372 115.315 119.800 -0.187 0.000 2.250 112 Q HA -0.063 4.212 4.340 -0.108 0.000 0.200 112 Q C 0.980 176.940 176.000 -0.066 0.000 0.941 112 Q CA 1.089 56.816 55.803 -0.127 0.000 0.872 112 Q CB 1.109 29.772 28.738 -0.126 0.000 0.965 112 Q HN -0.381 7.627 8.270 -0.196 0.145 0.480 113 I N -8.104 112.308 120.570 -0.264 0.000 3.968 113 I HA 0.163 4.236 4.170 -0.162 0.000 0.328 113 I C -0.461 175.608 176.117 -0.080 0.000 1.290 113 I CA -0.601 60.537 61.300 -0.269 0.000 1.163 113 I CB 0.724 38.327 38.000 -0.661 0.000 1.024 113 I HN -0.859 7.028 8.210 -0.368 0.102 0.413 114 V N 3.291 123.210 119.914 0.008 0.000 2.356 114 V HA 0.084 4.331 4.120 0.213 0.000 0.258 114 V C -0.760 175.540 176.094 0.343 0.000 1.065 114 V CA 0.297 62.707 62.300 0.184 0.000 0.935 114 V CB -0.492 31.404 31.823 0.120 0.000 1.061 114 V HN -0.776 7.399 8.190 -0.026 0.000 0.484 115 R N 7.247 127.950 120.500 0.339 0.000 2.476 115 R HA 0.370 4.766 4.340 0.093 0.000 0.305 115 R C -1.714 174.451 176.300 -0.226 0.000 0.965 115 R CA -3.139 53.020 56.100 0.099 0.000 0.867 115 R CB 3.261 33.557 30.300 -0.007 0.000 1.176 115 R HN 0.194 8.667 8.270 0.339 0.000 0.447 116 L N 4.399 125.289 121.223 -0.555 0.000 2.540 116 L HA -0.269 3.119 4.340 -1.815 -0.137 0.276 116 L C 0.983 177.531 176.870 -0.536 0.000 1.212 116 L CA 1.192 55.457 54.840 -0.958 0.000 0.893 116 L CB 0.583 42.260 42.059 -0.638 0.000 1.138 116 L HN 0.547 8.493 8.230 -0.474 0.000 0.491 117 G N 5.073 113.580 108.800 -0.487 0.000 2.184 117 G HA2 -0.388 3.428 3.960 -0.240 0.000 0.264 117 G HA3 -0.388 3.428 3.960 -0.240 0.000 0.264 117 G C -0.515 174.266 174.900 -0.197 0.000 0.975 117 G CA 1.470 46.406 45.100 -0.274 0.000 0.642 117 G HN 0.358 8.284 8.290 -0.606 0.000 0.536 118 V N -2.056 117.744 119.914 -0.190 0.000 3.029 118 V HA 0.126 4.199 4.120 -0.077 0.000 0.230 118 V C -0.239 175.906 176.094 0.084 0.000 1.254 118 V CA 0.911 63.166 62.300 -0.074 0.000 1.276 118 V CB 1.526 33.290 31.823 -0.100 0.000 1.080 118 V HN -0.587 7.385 8.190 -0.260 0.062 0.495 119 T N -4.974 109.635 114.554 0.091 0.000 3.010 119 T HA 0.157 4.623 4.350 0.193 0.000 0.257 119 T C -0.753 174.064 174.700 0.196 0.000 1.020 119 T CA 0.282 62.487 62.100 0.175 0.000 0.938 119 T CB 1.953 70.930 68.868 0.182 0.000 1.049 119 T HN -0.420 7.847 8.240 0.044 0.000 0.522 120 F N -1.850 118.089 119.950 -0.018 0.000 2.693 120 F HA 0.767 5.371 4.527 -0.107 -0.142 0.309 120 F C -3.412 172.416 175.800 0.045 0.000 1.129 120 F CA -1.470 56.486 58.000 -0.073 0.000 0.948 120 F CB 2.786 41.634 39.000 -0.254 0.000 1.315 120 F HN -0.717 7.544 8.300 -0.064 0.000 0.447 121 D N -0.754 119.674 120.400 0.046 0.000 2.531 121 D HA 0.444 4.974 4.640 -0.182 0.000 0.244 121 D C -2.390 174.137 176.300 0.377 0.000 1.090 121 D CA -1.768 52.234 54.000 0.004 0.000 0.989 121 D CB 5.099 45.866 40.800 -0.055 0.000 1.433 121 D HN 0.150 8.647 8.370 0.212 0.000 0.492 122 F N -2.215 117.819 119.950 0.139 0.000 2.569 122 F HA 1.005 5.726 4.527 0.028 -0.177 0.312 122 F C -2.188 173.579 175.800 -0.054 0.000 1.109 122 F CA -1.770 56.255 58.000 0.041 0.000 0.919 122 F CB 3.073 42.046 39.000 -0.046 0.000 1.211 122 F HN 0.043 8.300 8.300 -0.072 0.000 0.446 131 F N 3.691 123.771 119.950 0.216 0.000 2.375 131 F HA 0.804 5.703 4.527 0.318 -0.181 0.333 131 F C 0.617 176.454 175.800 0.062 0.000 1.104 131 F CA -0.414 57.723 58.000 0.228 0.000 1.149 131 F CB 1.823 41.005 39.000 0.303 0.000 1.190 131 F HN 0.151 8.604 8.300 0.255 0.000 0.533 132 R N 0.614 121.251 120.500 0.228 0.000 2.651 132 R HA 0.587 4.940 4.340 0.021 0.000 0.278 132 R C -2.993 173.299 176.300 -0.013 0.000 1.010 132 R CA -3.158 52.976 56.100 0.058 0.000 0.896 132 R CB 1.385 31.720 30.300 0.058 0.000 1.211 132 R HN 0.468 8.937 8.270 0.331 0.000 0.456 133 P HA 0.164 4.597 4.420 -0.114 -0.081 0.274 133 P C -1.918 175.367 177.300 -0.024 0.000 1.231 133 P CA -0.321 62.729 63.100 -0.082 0.000 0.790 133 P CB 1.470 33.117 31.700 -0.088 0.000 0.951 134 L N -3.017 118.203 121.223 -0.006 0.000 2.781 134 L HA 0.171 4.512 4.340 0.001 0.000 0.245 134 L C 0.146 176.987 176.870 -0.049 0.000 1.118 134 L CA -0.400 54.444 54.840 0.007 0.000 0.918 134 L CB 1.146 43.241 42.059 0.060 0.000 1.246 134 L HN -0.351 7.881 8.230 0.003 0.000 0.526 135 L N 0.348 121.515 121.223 -0.093 0.000 2.290 135 L HA 0.113 4.251 4.340 -0.337 0.000 0.284 135 L C -1.339 175.440 176.870 -0.150 0.000 1.078 135 L CA -0.367 54.352 54.840 -0.202 0.000 0.815 135 L CB -0.140 41.812 42.059 -0.177 0.000 1.162 135 L HN -0.363 7.829 8.230 -0.063 0.000 0.435 136 R N 3.423 123.818 120.500 -0.175 0.000 2.725 136 R HA 0.262 4.546 4.340 -0.093 0.000 0.277 136 R C -0.270 175.963 176.300 -0.112 0.000 0.987 136 R CA -0.612 55.420 56.100 -0.113 0.000 0.901 136 R CB 2.944 33.197 30.300 -0.078 0.000 1.207 136 R HN 0.364 8.492 8.270 -0.236 0.000 0.463 137 G N 1.360 110.114 108.800 -0.077 0.000 2.141 137 G HA2 -0.323 3.609 3.960 -0.047 0.000 0.242 137 G HA3 -0.323 3.599 3.960 -0.064 0.000 0.242 137 G C -0.688 174.174 174.900 -0.063 0.000 0.982 137 G CA 0.025 45.088 45.100 -0.062 0.000 0.662 137 G HN 0.428 8.678 8.290 -0.066 0.000 0.527 138 K N -1.225 119.132 120.400 -0.071 0.000 2.208 138 K HA 0.674 5.132 4.320 -0.060 -0.173 0.247 138 K C -0.893 175.677 176.600 -0.050 0.000 0.953 138 K CA -1.270 54.978 56.287 -0.065 0.000 0.837 138 K CB 2.168 34.619 32.500 -0.081 0.000 1.131 138 K HN -0.436 7.768 8.250 -0.076 0.000 0.431 139 R N -0.976 119.495 120.500 -0.047 0.000 2.854 139 R HA 0.642 5.073 4.340 -0.042 -0.117 0.271 139 R C -1.796 174.469 176.300 -0.058 0.000 0.996 139 R CA -1.528 54.545 56.100 -0.045 0.000 0.961 139 R CB 4.497 34.776 30.300 -0.036 0.000 1.182 139 R HN 0.027 8.268 8.270 -0.048 0.000 0.479 140 A N -0.314 122.466 122.820 -0.066 0.000 2.414 140 A HA 1.019 5.498 4.320 -0.094 -0.215 0.306 140 A C -2.797 174.716 177.584 -0.118 0.000 1.054 140 A CA -1.756 50.229 52.037 -0.087 0.000 0.724 140 A CB 4.053 23.012 19.000 -0.067 0.000 1.267 140 A HN 0.513 8.627 8.150 -0.061 0.000 0.418 141 L N 3.294 124.413 121.223 -0.174 0.000 2.343 141 L HA 0.794 5.193 4.340 -0.189 -0.173 0.278 141 L C -2.256 174.487 176.870 -0.212 0.000 0.996 141 L CA -1.288 53.413 54.840 -0.231 0.000 0.831 141 L CB 3.473 45.282 42.059 -0.417 0.000 1.232 141 L HN 0.429 8.550 8.230 -0.183 0.000 0.413 142 I N 7.291 127.767 120.570 -0.157 0.000 2.312 142 I HA 0.364 4.635 4.170 -0.136 -0.182 0.290 142 I C -1.282 174.764 176.117 -0.118 0.000 1.008 142 I CA -0.866 60.359 61.300 -0.126 0.000 1.226 142 I CB 1.260 39.211 38.000 -0.083 0.000 1.371 142 I HN 0.834 8.961 8.210 -0.137 0.000 0.468 143 V N 9.005 128.849 119.914 -0.118 0.000 2.328 143 V HA 0.475 4.723 4.120 -0.081 -0.177 0.278 143 V C -1.223 174.835 176.094 -0.059 0.000 1.021 143 V CA -1.228 61.020 62.300 -0.086 0.000 0.838 143 V CB 0.976 32.749 31.823 -0.082 0.000 0.999 143 V HN 0.637 8.752 8.190 -0.125 0.000 0.447 144 T N 7.837 122.364 114.554 -0.045 0.000 2.893 144 T HA 0.952 5.511 4.350 -0.054 -0.241 0.291 144 T C -1.558 173.122 174.700 -0.033 0.000 1.028 144 T CA -3.148 58.925 62.100 -0.044 0.000 0.995 144 T CB 1.877 70.722 68.868 -0.038 0.000 1.051 144 T HN 0.246 8.463 8.240 -0.040 0.000 0.470 145 S N 4.955 120.630 115.700 -0.042 0.000 2.542 145 S HA 0.948 5.581 4.470 -0.023 -0.177 0.293 145 S C -1.367 173.204 174.600 -0.048 0.000 1.089 145 S CA -1.796 56.384 58.200 -0.033 0.000 0.961 145 S CB 3.091 66.275 63.200 -0.027 0.000 1.062 145 S HN -0.047 8.230 8.310 -0.055 0.000 0.483 146 R N 1.799 122.271 120.500 -0.046 0.000 2.725 146 R HA 0.415 4.699 4.340 -0.092 0.000 0.277 146 R C 1.036 177.297 176.300 -0.065 0.000 0.987 146 R CA -0.867 55.190 56.100 -0.073 0.000 0.901 146 R CB 3.614 33.870 30.300 -0.073 0.000 1.207 146 R HN 0.107 8.355 8.270 -0.036 0.000 0.463 147 G N 1.774 110.535 108.800 -0.066 0.000 2.408 147 G HA2 -0.232 3.692 3.960 -0.060 0.000 0.217 147 G HA3 -0.232 3.700 3.960 -0.047 0.000 0.217 147 G C -0.698 174.151 174.900 -0.084 0.000 1.150 147 G CA 1.140 46.204 45.100 -0.059 0.000 0.776 147 G HN 0.661 8.903 8.290 -0.080 0.000 0.542 148 G N -1.747 107.060 108.800 0.012 0.000 2.583 148 G HA2 0.246 4.186 3.960 -0.033 0.000 0.280 148 G HA3 0.246 4.380 3.960 0.290 0.000 0.280 148 G C -2.192 172.650 174.900 -0.096 0.000 1.376 148 G CA -1.426 43.712 45.100 0.062 0.000 1.043 148 G HN -0.519 7.814 8.290 0.072 0.000 0.538 149 H N -2.878 116.287 119.070 0.158 0.000 2.797 149 H HA 0.206 4.835 4.556 0.122 0.000 0.372 149 H C -0.106 175.129 175.328 -0.156 0.000 1.168 149 H CA -1.222 54.859 56.048 0.055 0.000 1.163 149 H CB 2.129 31.898 29.762 0.012 0.000 1.778 149 H HN -0.091 8.298 8.280 0.183 0.000 0.551 150 G N -1.174 107.648 108.800 0.036 0.000 2.137 150 G HA2 -0.412 3.533 3.960 -0.026 0.000 0.237 150 G HA3 -0.412 3.447 3.960 -0.168 0.000 0.237 150 G C -0.280 174.490 174.900 -0.217 0.000 1.002 150 G CA 0.736 45.770 45.100 -0.110 0.000 0.702 150 G HN 0.248 8.896 8.290 0.139 -0.274 0.515 151 F N -0.358 119.633 119.950 0.069 0.000 2.776 151 F HA 0.016 4.578 4.527 0.058 0.000 0.300 151 F C 0.586 176.408 175.800 0.036 0.000 1.116 151 F CA 0.622 58.657 58.000 0.058 0.000 1.375 151 F CB 0.246 39.289 39.000 0.072 0.000 1.109 151 F HN -0.338 8.401 8.300 0.212 -0.312 0.585 152 G N -1.268 107.631 108.800 0.165 0.000 2.557 152 G HA2 0.214 4.240 3.960 0.110 0.000 0.292 152 G HA3 0.214 4.229 3.960 0.092 0.000 0.292 152 G C -2.525 172.412 174.900 0.062 0.000 1.237 152 G CA -2.034 43.129 45.100 0.105 0.000 0.978 152 G HN -0.426 7.903 8.290 0.143 0.046 0.498 153 P HA -0.304 4.131 4.420 0.025 0.000 0.262 153 P C 0.169 177.480 177.300 0.019 0.000 1.182 153 P CA 1.414 64.531 63.100 0.027 0.000 0.761 153 P CB -0.202 31.512 31.700 0.023 0.000 0.795 154 G N 5.685 114.491 108.800 0.010 0.000 2.189 154 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.267 154 G HA3 -0.365 3.597 3.960 0.004 0.000 0.267 154 G C 0.147 175.044 174.900 -0.005 0.000 0.975 154 G CA 0.142 45.243 45.100 0.002 0.000 0.644 154 G HN -0.094 8.415 8.290 0.009 -0.213 0.537 155 G N -1.038 107.759 108.800 -0.004 0.000 2.539 155 G HA2 0.050 3.996 3.960 -0.023 0.000 0.258 155 G HA3 0.050 4.211 3.960 -0.023 -0.215 0.258 155 G C 0.032 174.899 174.900 -0.055 0.000 1.202 155 G CA -1.477 43.608 45.100 -0.025 0.000 0.851 155 G HN -0.508 7.708 8.290 0.006 0.077 0.556 156 E N 3.072 123.223 120.200 -0.083 0.000 2.153 156 E HA -0.225 4.085 4.350 -0.066 0.000 0.194 156 E C 0.194 176.719 176.600 -0.126 0.000 0.988 156 E CA 2.617 58.962 56.400 -0.092 0.000 0.811 156 E CB 0.162 29.806 29.700 -0.094 0.000 0.746 156 E HN 0.495 8.805 8.360 -0.084 0.000 0.466 157 N N -2.490 116.081 118.700 -0.215 0.000 2.275 157 N HA 0.284 4.922 4.740 -0.169 0.000 0.236 157 N C 0.267 175.712 175.510 -0.108 0.000 1.154 157 N CA -0.372 52.520 53.050 -0.263 0.000 0.866 157 N CB 0.632 38.709 38.487 -0.683 0.000 1.093 157 N HN -0.255 7.845 8.380 -0.252 0.128 0.515 158 Q N 2.575 122.347 119.800 -0.046 0.000 2.181 158 Q HA -0.308 4.257 4.340 0.095 -0.167 0.205 158 Q C 1.266 177.281 176.000 0.026 0.000 0.980 158 Q CA 3.753 59.576 55.803 0.034 0.000 0.862 158 Q CB -0.020 28.725 28.738 0.013 0.000 0.905 158 Q HN -0.688 7.488 8.270 -0.063 0.056 0.429 159 A N -3.220 119.594 122.820 -0.009 0.000 2.119 159 A HA -0.181 4.103 4.320 -0.061 0.000 0.217 159 A C 0.741 178.286 177.584 -0.065 0.000 1.153 159 A CA 1.831 53.845 52.037 -0.039 0.000 0.692 159 A CB -0.671 18.317 19.000 -0.020 0.000 0.799 159 A HN 0.253 8.370 8.150 -0.016 0.022 0.458 160 M N -5.862 113.753 119.600 0.025 0.000 2.558 160 M HA -0.186 4.309 4.480 0.026 0.000 0.255 160 M C -0.457 175.934 176.300 0.152 0.000 1.113 160 M CA 1.129 56.473 55.300 0.074 0.000 1.097 160 M CB 0.312 32.986 32.600 0.124 0.000 1.426 160 M HN -0.610 7.576 8.290 0.067 0.145 0.488 161 N N -0.771 117.988 118.700 0.099 0.000 2.415 161 N HA -0.097 4.739 4.740 0.160 0.000 0.250 161 N C -0.395 175.023 175.510 -0.153 0.000 1.127 161 N CA 0.230 53.330 53.050 0.084 0.000 0.945 161 N CB -0.252 38.334 38.487 0.165 0.000 1.196 161 N HN -0.814 7.462 8.380 0.088 0.156 0.499 162 H N 5.249 124.407 119.070 0.146 0.000 2.475 162 H HA 0.151 4.806 4.556 0.166 0.000 0.276 162 H C -1.377 174.049 175.328 0.164 0.000 1.126 162 H CA -0.238 55.893 56.048 0.138 0.000 1.023 162 H CB -0.205 29.599 29.762 0.069 0.000 1.669 162 H HN -0.036 8.391 8.280 0.245 0.000 0.573 163 A N 0.043 122.990 122.820 0.212 0.000 2.070 163 A HA 0.015 4.477 4.320 0.238 0.000 0.221 163 A C 0.107 177.844 177.584 0.254 0.000 1.603 163 A CA 1.281 53.440 52.037 0.203 0.000 0.639 163 A CB 1.122 20.163 19.000 0.068 0.000 1.235 163 A HN -0.153 8.349 8.150 0.149 -0.263 0.518 164 D N -2.337 118.142 120.400 0.132 0.000 2.194 164 D HA 0.072 4.761 4.640 0.081 0.000 0.204 164 D C -0.760 175.584 176.300 0.073 0.000 0.964 164 D CA 3.818 57.867 54.000 0.083 0.000 0.846 164 D CB -2.185 38.635 40.800 0.032 0.000 0.962 164 D HN -0.121 8.304 8.370 0.093 0.000 0.490 165 P HA -0.089 4.355 4.420 0.039 0.000 0.218 165 P C 0.851 178.222 177.300 0.117 0.000 1.149 165 P CA 2.030 65.176 63.100 0.076 0.000 0.817 165 P CB -0.449 31.286 31.700 0.059 0.000 0.785 166 W N -1.834 119.489 121.300 0.038 0.000 2.388 166 W HA -0.189 4.498 4.660 0.046 0.000 0.294 166 W C 0.766 177.305 176.519 0.032 0.000 1.212 166 W CA 3.063 60.436 57.345 0.048 0.000 1.271 166 W CB -0.556 28.947 29.460 0.073 0.000 1.126 166 W HN -0.405 8.004 8.180 0.382 0.000 0.535 167 L N -1.299 119.750 121.223 -0.289 0.000 2.079 167 L HA -0.595 3.095 4.340 -1.084 0.000 0.210 167 L C 2.374 179.011 176.870 -0.388 0.000 1.081 167 L CA 3.415 57.921 54.840 -0.557 0.000 0.752 167 L CB -0.578 41.370 42.059 -0.184 0.000 0.896 167 L HN -0.517 7.684 8.230 0.074 0.073 0.433 168 R N -2.011 118.367 120.500 -0.203 0.000 2.091 168 R HA -0.386 3.883 4.340 -0.118 0.000 0.238 168 R C 2.677 178.887 176.300 -0.151 0.000 1.136 168 R CA 4.259 60.279 56.100 -0.132 0.000 0.959 168 R CB -0.140 30.123 30.300 -0.061 0.000 0.856 168 R HN -0.290 7.895 8.270 -0.134 0.005 0.437 169 T N 1.652 116.097 114.554 -0.182 0.000 2.708 169 T HA -0.372 3.939 4.350 -0.066 0.000 0.266 169 T C 1.621 176.207 174.700 -0.190 0.000 1.037 169 T CA 4.210 66.227 62.100 -0.139 0.000 1.146 169 T CB -0.196 68.623 68.868 -0.082 0.000 0.865 169 T HN -0.705 7.338 8.240 -0.190 0.084 0.435 170 A N 1.265 123.834 122.820 -0.419 0.000 1.898 170 A HA -0.163 4.007 4.320 -0.250 0.000 0.216 170 A C 2.001 179.484 177.584 -0.168 0.000 1.181 170 A CA 2.948 54.770 52.037 -0.358 0.000 0.620 170 A CB -0.684 17.918 19.000 -0.663 0.000 0.819 170 A HN -0.472 7.286 8.150 -0.654 0.000 0.442 171 L N -3.364 117.741 121.223 -0.197 0.000 2.093 171 L HA -0.389 3.909 4.340 -0.069 0.000 0.208 171 L C 2.399 179.244 176.870 -0.040 0.000 1.085 171 L CA 2.329 57.113 54.840 -0.093 0.000 0.755 171 L CB -0.372 41.633 42.059 -0.092 0.000 0.904 171 L HN -0.042 8.020 8.230 -0.279 0.000 0.435 172 G N -1.901 106.878 108.800 -0.036 0.000 2.422 172 G HA2 -0.358 3.702 3.960 -0.014 0.000 0.218 172 G HA3 -0.358 3.604 3.960 0.004 0.000 0.218 172 G C 0.956 175.883 174.900 0.045 0.000 1.146 172 G CA 1.815 46.915 45.100 0.000 0.000 0.769 172 G HN -0.169 8.082 8.290 -0.065 0.000 0.547 173 F N 1.476 121.366 119.950 -0.100 0.000 2.161 173 F HA -0.324 4.160 4.527 -0.071 0.000 0.300 173 F C 0.453 176.221 175.800 -0.053 0.000 1.089 173 F CA 2.493 60.432 58.000 -0.103 0.000 1.282 173 F CB 0.662 39.543 39.000 -0.199 0.000 1.010 173 F HN -0.736 7.663 8.300 0.166 0.000 0.485 174 I N -10.225 110.329 120.570 -0.027 0.000 3.883 174 I HA 0.389 4.603 4.170 -0.105 -0.107 0.326 174 I C -0.003 176.081 176.117 -0.054 0.000 1.283 174 I CA -0.288 60.983 61.300 -0.050 0.000 1.161 174 I CB 0.463 38.485 38.000 0.037 0.000 1.012 174 I HN -0.967 7.256 8.210 0.044 0.014 0.421 175 G N -0.709 108.058 108.800 -0.055 0.000 2.229 175 G HA2 -0.286 3.643 3.960 -0.052 0.000 0.189 175 G HA3 -0.286 3.833 3.960 -0.064 -0.197 0.189 175 G C -0.645 174.225 174.900 -0.050 0.000 1.000 175 G CA -0.308 44.759 45.100 -0.056 0.000 0.663 175 G HN -0.672 7.440 8.290 -0.044 0.152 0.493 176 I N 2.673 123.216 120.570 -0.045 0.000 2.260 176 I HA -0.093 4.048 4.170 -0.047 0.000 0.297 176 I C -1.135 174.959 176.117 -0.037 0.000 1.143 176 I CA 0.048 61.322 61.300 -0.043 0.000 1.271 176 I CB -1.218 36.759 38.000 -0.038 0.000 1.461 176 I HN -0.372 7.814 8.210 -0.040 0.000 0.530 177 D N 3.425 123.806 120.400 -0.032 0.000 2.398 177 D HA 0.109 4.733 4.640 -0.027 0.000 0.210 177 D C -0.021 176.264 176.300 -0.024 0.000 1.094 177 D CA -0.781 53.203 54.000 -0.025 0.000 0.839 177 D CB 0.593 41.383 40.800 -0.016 0.000 0.963 177 D HN -0.096 8.255 8.370 -0.033 0.000 0.506 178 E N 1.777 121.960 120.200 -0.028 0.000 1.986 178 E HA 0.227 4.565 4.350 -0.021 0.000 0.264 178 E C -2.000 174.580 176.600 -0.035 0.000 1.023 178 E CA -0.659 55.725 56.400 -0.026 0.000 0.834 178 E CB -0.192 29.494 29.700 -0.022 0.000 1.111 178 E HN 0.089 8.430 8.360 -0.032 0.000 0.417 179 V N 7.267 127.160 119.914 -0.035 0.000 2.588 179 V HA 0.630 4.932 4.120 -0.056 -0.216 0.304 179 V C -0.643 175.424 176.094 -0.044 0.000 1.042 179 V CA -1.625 60.647 62.300 -0.047 0.000 0.877 179 V CB 2.877 34.670 31.823 -0.050 0.000 0.996 179 V HN 0.079 8.251 8.190 -0.030 0.000 0.425 180 T N 9.727 124.245 114.554 -0.060 0.000 2.807 180 T HA 0.388 4.714 4.350 -0.039 0.000 0.279 180 T C -1.866 172.792 174.700 -0.070 0.000 0.993 180 T CA -0.677 61.389 62.100 -0.056 0.000 0.970 180 T CB 1.416 70.248 68.868 -0.060 0.000 0.950 180 T HN 0.249 8.443 8.240 -0.076 0.000 0.441 181 V N 6.864 126.749 119.914 -0.047 0.000 2.417 181 V HA 0.509 4.782 4.120 -0.063 -0.191 0.291 181 V C -0.727 175.345 176.094 -0.036 0.000 1.024 181 V CA -1.192 61.081 62.300 -0.045 0.000 0.861 181 V CB 1.476 33.287 31.823 -0.021 0.000 0.985 181 V HN 0.359 8.529 8.190 -0.033 0.000 0.436 182 V N 9.277 129.162 119.914 -0.048 0.000 2.357 182 V HA 0.222 4.334 4.120 -0.014 0.000 0.284 182 V C -1.923 174.161 176.094 -0.017 0.000 1.018 182 V CA -1.008 61.275 62.300 -0.029 0.000 0.841 182 V CB 1.746 33.544 31.823 -0.042 0.000 0.991 182 V HN 0.518 8.668 8.190 -0.068 0.000 0.437 183 A N 7.686 130.509 122.820 0.005 0.000 2.330 183 A HA 0.919 5.461 4.320 0.003 -0.220 0.327 183 A C -1.465 176.133 177.584 0.023 0.000 1.155 183 A CA -1.800 50.245 52.037 0.015 0.000 0.803 183 A CB 2.690 21.711 19.000 0.035 0.000 1.208 183 A HN 0.305 8.463 8.150 0.013 0.000 0.477 184 A N 4.726 127.555 122.820 0.015 0.000 2.293 184 A HA 0.419 4.757 4.320 0.029 0.000 0.312 184 A C -1.509 176.080 177.584 0.008 0.000 1.309 184 A CA -0.925 51.123 52.037 0.018 0.000 0.839 184 A CB 1.312 20.318 19.000 0.010 0.000 1.155 184 A HN 0.393 8.546 8.150 0.005 0.000 0.501 185 E N 3.709 123.919 120.200 0.017 0.000 2.243 185 E HA 0.486 4.960 4.350 -0.058 -0.159 0.260 185 E C 0.765 177.288 176.600 -0.128 0.000 0.985 185 E CA -1.791 54.581 56.400 -0.047 0.000 0.858 185 E CB 2.207 31.913 29.700 0.010 0.000 1.210 185 E HN 0.266 8.652 8.360 0.043 0.000 0.411 200 E N 1.373 121.593 120.200 0.033 0.000 2.072 200 E HA -0.211 4.159 4.350 0.032 0.000 0.191 200 E C 1.711 178.332 176.600 0.036 0.000 0.985 200 E CA 1.685 58.105 56.400 0.034 0.000 0.801 200 E CB -0.133 29.587 29.700 0.035 0.000 0.750 200 E HN 0.377 8.757 8.360 0.034 0.000 0.452 201 A N 0.378 123.219 122.820 0.035 0.000 1.883 201 A HA -0.275 4.064 4.320 0.033 0.000 0.217 201 A C 1.953 179.563 177.584 0.044 0.000 1.186 201 A CA 3.158 55.215 52.037 0.034 0.000 0.624 201 A CB -0.863 18.153 19.000 0.028 0.000 0.822 201 A HN 0.160 8.331 8.150 0.035 0.000 0.444 202 E N -1.130 119.097 120.200 0.044 0.000 2.058 202 E HA -0.469 3.920 4.350 0.064 0.000 0.194 202 E C 2.330 178.967 176.600 0.061 0.000 0.997 202 E CA 3.331 59.763 56.400 0.054 0.000 0.801 202 E CB -0.340 29.386 29.700 0.043 0.000 0.746 202 E HN 0.245 8.628 8.360 0.039 0.000 0.450 203 Q N -2.365 117.464 119.800 0.049 0.000 2.119 203 Q HA -0.297 4.072 4.340 0.048 0.000 0.201 203 Q C 2.562 178.598 176.000 0.059 0.000 0.972 203 Q CA 2.602 58.434 55.803 0.048 0.000 0.847 203 Q CB -0.298 28.462 28.738 0.037 0.000 0.903 203 Q HN -0.603 7.693 8.270 0.043 0.000 0.433 204 R N 0.622 121.155 120.500 0.056 0.000 2.091 204 R HA -0.245 4.128 4.340 0.056 0.000 0.238 204 R C 2.554 178.908 176.300 0.090 0.000 1.136 204 R CA 2.468 58.604 56.100 0.060 0.000 0.959 204 R CB -0.717 29.609 30.300 0.044 0.000 0.856 204 R HN -0.389 7.911 8.270 0.050 0.000 0.437 205 L N -1.591 119.697 121.223 0.109 0.000 2.109 205 L HA -0.302 4.155 4.340 0.195 0.000 0.207 205 L C 2.155 179.178 176.870 0.255 0.000 1.086 205 L CA 2.933 57.890 54.840 0.195 0.000 0.760 205 L CB -0.189 41.984 42.059 0.191 0.000 0.910 205 L HN -0.245 8.040 8.230 0.092 0.000 0.437 206 L N -1.967 119.348 121.223 0.154 0.000 2.046 206 L HA -0.462 3.941 4.340 0.106 0.000 0.208 206 L C 2.274 179.206 176.870 0.103 0.000 1.077 206 L CA 3.020 57.925 54.840 0.109 0.000 0.747 206 L CB -0.599 41.498 42.059 0.064 0.000 0.896 206 L HN -0.416 7.888 8.230 0.122 0.000 0.432 207 A N -1.484 121.396 122.820 0.099 0.000 1.902 207 A HA -0.303 4.057 4.320 0.067 0.000 0.217 207 A C 2.178 179.838 177.584 0.127 0.000 1.181 207 A CA 2.916 55.005 52.037 0.088 0.000 0.623 207 A CB -0.765 18.277 19.000 0.070 0.000 0.818 207 A HN -0.519 7.687 8.150 0.094 0.000 0.443 208 L N -2.371 118.964 121.223 0.185 0.000 2.083 208 L HA -0.260 4.199 4.340 0.197 0.000 0.209 208 L C 2.835 179.926 176.870 0.368 0.000 1.083 208 L CA 2.433 57.428 54.840 0.259 0.000 0.752 208 L CB -0.095 42.127 42.059 0.271 0.000 0.899 208 L HN -0.567 7.693 8.230 0.187 0.081 0.433 209 A N -2.887 120.136 122.820 0.337 0.000 2.067 209 A HA -0.205 4.278 4.320 0.271 0.000 0.219 209 A C 1.793 179.443 177.584 0.109 0.000 1.158 209 A CA 2.462 54.599 52.037 0.167 0.000 0.661 209 A CB -0.683 18.242 19.000 -0.124 0.000 0.801 209 A HN -0.305 8.030 8.150 0.307 0.000 0.452 210 R N -5.122 115.426 120.500 0.080 0.000 2.193 210 R HA -0.141 4.161 4.340 -0.063 0.000 0.213 210 R C -0.088 176.248 176.300 0.060 0.000 1.055 210 R CA 1.173 57.281 56.100 0.012 0.000 0.995 210 R CB 0.763 31.064 30.300 0.002 0.000 0.893 210 R HN -0.628 7.673 8.270 0.101 0.030 0.459 211 S N 0.000 115.779 115.700 0.132 0.000 2.498 211 S HA 0.000 4.547 4.470 0.128 0.000 0.327 211 S CA 0.000 58.290 58.200 0.150 0.000 1.107 211 S CB 0.000 63.268 63.200 0.114 0.000 0.593 211 S HN 0.000 8.401 8.310 0.151 0.000 0.517