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 2eza_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA DATA SEQUENCE SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DATA SEQUENCE DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS DATA SEQUENCE AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP DATA SEQUENCE AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK DATA SEQUENCE AELAKLKDR 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 M HA 0.000 4.423 4.480 -0.095 0.000 0.227 1 M C 0.000 176.251 176.300 -0.082 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.092 0.000 0.988 1 M CB 0.000 32.566 32.600 -0.056 0.000 1.302 2 I N 4.120 124.631 120.570 -0.099 0.000 2.725 2 I HA -0.204 3.934 4.170 -0.054 0.000 0.296 2 I C -1.193 174.885 176.117 -0.066 0.000 1.155 2 I CA 0.814 62.070 61.300 -0.073 0.000 1.450 2 I CB -1.261 36.692 38.000 -0.079 0.000 1.478 2 I HN 0.228 8.360 8.210 -0.131 0.000 0.642 3 S N 7.624 123.296 115.700 -0.047 0.000 2.430 3 S HA 0.220 4.664 4.470 -0.042 0.000 0.289 3 S C 0.003 174.587 174.600 -0.026 0.000 1.143 3 S CA 0.166 58.344 58.200 -0.037 0.000 1.067 3 S CB 0.744 63.927 63.200 -0.028 0.000 0.964 3 S HN -0.421 7.864 8.310 -0.041 0.000 0.485 4 G N 3.368 112.154 108.800 -0.023 0.000 2.971 4 G HA2 0.300 4.391 3.960 -0.011 0.000 0.235 4 G HA3 0.300 4.253 3.960 -0.012 0.000 0.235 4 G C -1.139 173.755 174.900 -0.009 0.000 1.351 4 G CA -1.679 43.413 45.100 -0.014 0.000 1.039 4 G HN -0.674 7.755 8.290 -0.027 -0.156 0.563 5 I N -0.697 119.871 120.570 -0.003 0.000 3.860 5 I HA 0.003 4.171 4.170 -0.003 0.000 0.319 5 I C -0.258 175.860 176.117 0.001 0.000 1.279 5 I CA 0.028 61.328 61.300 -0.001 0.000 1.220 5 I CB 0.678 38.679 38.000 0.001 0.000 1.027 5 I HN 0.192 8.401 8.210 -0.001 0.000 0.428 6 L N -1.316 119.908 121.223 0.001 0.000 3.010 6 L HA -0.394 3.949 4.340 0.005 0.000 0.571 6 L C -1.133 175.743 176.870 0.010 0.000 1.001 6 L CA 0.674 55.517 54.840 0.005 0.000 1.301 6 L CB -0.771 41.289 42.059 0.002 0.000 1.494 6 L HN -0.351 7.827 8.230 -0.000 0.051 0.722 7 A N 5.461 128.292 122.820 0.018 0.000 1.871 7 A HA 0.071 4.399 4.320 0.013 0.000 0.211 7 A C -0.294 177.304 177.584 0.023 0.000 1.207 7 A CA 1.288 53.338 52.037 0.021 0.000 0.620 7 A CB 1.302 20.322 19.000 0.033 0.000 0.860 7 A HN 0.621 8.676 8.150 0.023 0.108 0.450 8 S N -3.846 111.872 115.700 0.030 0.000 2.546 8 S HA 0.519 5.002 4.470 0.021 0.000 0.274 8 S C -2.703 171.909 174.600 0.020 0.000 1.121 8 S CA -2.787 55.430 58.200 0.028 0.000 0.887 8 S CB 2.056 65.280 63.200 0.040 0.000 1.094 8 S HN -0.827 7.505 8.310 0.035 0.000 0.474 9 P HA 0.408 5.059 4.420 0.004 -0.229 0.277 9 P C -0.744 176.558 177.300 0.004 0.000 1.240 9 P CA -1.465 61.639 63.100 0.008 0.000 0.798 9 P CB 1.280 32.986 31.700 0.009 0.000 0.979 10 G N -1.044 107.751 108.800 -0.008 0.000 2.339 10 G HA2 -0.032 3.924 3.960 -0.007 0.000 0.302 10 G HA3 -0.032 3.920 3.960 -0.013 0.000 0.302 10 G C -2.596 172.273 174.900 -0.051 0.000 1.425 10 G CA -0.369 44.721 45.100 -0.017 0.000 0.899 10 G HN -0.734 7.550 8.290 -0.011 0.000 0.619 11 I N -1.762 118.765 120.570 -0.071 0.000 2.533 11 I HA 0.330 4.566 4.170 -0.199 -0.186 0.290 11 I C -1.264 174.707 176.117 -0.244 0.000 1.056 11 I CA -1.063 60.128 61.300 -0.181 0.000 1.057 11 I CB 3.653 41.549 38.000 -0.174 0.000 1.240 11 I HN 0.160 8.347 8.210 -0.038 0.000 0.423 12 A N 6.119 128.697 122.820 -0.404 0.000 2.539 12 A HA 0.478 4.748 4.320 -0.084 0.000 0.296 12 A C -2.637 174.626 177.584 -0.535 0.000 1.073 12 A CA -0.903 50.954 52.037 -0.300 0.000 0.700 12 A CB 3.226 22.139 19.000 -0.145 0.000 1.296 12 A HN 0.147 8.044 8.150 -0.422 0.000 0.405 13 F N -0.728 119.178 119.950 -0.072 0.000 2.520 13 F HA 0.715 5.155 4.527 -0.145 0.000 0.322 13 F C 0.678 176.359 175.800 -0.198 0.000 1.103 13 F CA -2.108 55.818 58.000 -0.123 0.000 0.926 13 F CB 2.957 41.936 39.000 -0.036 0.000 1.154 13 F HN 0.040 8.588 8.300 0.413 0.000 0.453 14 G N 0.747 109.429 108.800 -0.197 0.000 2.466 14 G HA2 0.219 4.087 3.960 -0.153 0.000 0.291 14 G HA3 0.219 4.096 3.960 -0.137 0.000 0.291 14 G C -2.827 171.870 174.900 -0.337 0.000 1.460 14 G CA 0.435 45.407 45.100 -0.213 0.000 0.791 14 G HN -0.182 7.897 8.290 -0.351 0.000 0.505 15 K N -0.533 119.746 120.400 -0.201 0.000 2.154 15 K HA 0.362 4.688 4.320 -0.193 -0.122 0.264 15 K C -0.625 175.920 176.600 -0.092 0.000 1.008 15 K CA -0.565 55.641 56.287 -0.136 0.000 0.937 15 K CB 1.664 34.146 32.500 -0.031 0.000 1.002 15 K HN 0.327 8.502 8.250 -0.126 0.000 0.469 16 A N 1.716 124.502 122.820 -0.057 0.000 2.409 16 A HA 0.298 4.588 4.320 -0.051 0.000 0.267 16 A C -1.923 175.651 177.584 -0.016 0.000 1.127 16 A CA -0.276 51.740 52.037 -0.035 0.000 0.795 16 A CB 0.602 19.593 19.000 -0.014 0.000 1.061 16 A HN 0.959 8.970 8.150 -0.039 0.116 0.502 17 L N 5.818 127.031 121.223 -0.016 0.000 2.321 17 L HA 0.422 4.763 4.340 0.001 0.000 0.272 17 L C -2.127 174.748 176.870 0.007 0.000 1.050 17 L CA -1.310 53.528 54.840 -0.003 0.000 0.893 17 L CB 1.532 43.588 42.059 -0.004 0.000 1.272 17 L HN -0.030 8.185 8.230 -0.025 0.000 0.435 18 L N 5.731 126.960 121.223 0.010 0.000 2.319 18 L HA 0.143 4.628 4.340 0.016 -0.135 0.280 18 L C -0.524 176.357 176.870 0.018 0.000 1.099 18 L CA -0.328 54.521 54.840 0.015 0.000 0.828 18 L CB 1.023 43.091 42.059 0.014 0.000 1.150 18 L HN 0.100 8.335 8.230 0.009 0.000 0.442 19 L N 8.107 129.344 121.223 0.023 0.000 2.315 19 L HA 0.150 4.505 4.340 0.024 0.000 0.278 19 L C -0.611 176.273 176.870 0.023 0.000 1.088 19 L CA -0.590 54.266 54.840 0.026 0.000 0.899 19 L CB -1.931 40.149 42.059 0.035 0.000 1.277 19 L HN -0.183 8.062 8.230 0.025 0.000 0.431 20 K N 4.294 124.706 120.400 0.019 0.000 2.087 20 K HA 0.219 4.549 4.320 0.016 0.000 0.255 20 K C -0.660 175.949 176.600 0.015 0.000 0.988 20 K CA -0.682 55.614 56.287 0.016 0.000 0.915 20 K CB 0.842 33.350 32.500 0.013 0.000 1.043 20 K HN -0.221 8.040 8.250 0.018 0.000 0.457 21 E N 0.443 120.651 120.200 0.012 0.000 2.272 21 E HA 0.115 4.472 4.350 0.011 0.000 0.269 21 E C -1.377 175.227 176.600 0.006 0.000 0.877 21 E CA -0.655 55.751 56.400 0.010 0.000 0.755 21 E CB 2.364 32.071 29.700 0.011 0.000 1.192 21 E HN 0.090 8.457 8.360 0.012 0.000 0.422 22 D N 3.262 123.664 120.400 0.004 0.000 2.312 22 D HA 0.062 4.703 4.640 0.002 0.000 0.252 22 D C -0.247 176.051 176.300 -0.003 0.000 1.150 22 D CA 0.079 54.080 54.000 0.001 0.000 0.870 22 D CB 0.990 41.791 40.800 0.001 0.000 1.153 22 D HN 0.089 8.462 8.370 0.005 0.000 0.457 23 E N 3.999 124.196 120.200 -0.004 0.000 2.414 23 E HA -0.120 4.222 4.350 -0.012 0.000 0.263 23 E C -0.012 176.578 176.600 -0.017 0.000 1.000 23 E CA -0.059 56.335 56.400 -0.011 0.000 0.914 23 E CB 0.902 30.598 29.700 -0.008 0.000 0.948 23 E HN 0.157 8.516 8.360 -0.002 0.000 0.444 24 I N 5.552 126.104 120.570 -0.029 0.000 2.428 24 I HA -0.009 4.146 4.170 -0.025 0.000 0.289 24 I C -0.271 175.822 176.117 -0.040 0.000 1.019 24 I CA -0.331 60.947 61.300 -0.037 0.000 1.351 24 I CB 0.624 38.590 38.000 -0.056 0.000 1.412 24 I HN 0.017 8.207 8.210 -0.034 0.000 0.513 25 V N 7.427 127.324 119.914 -0.028 0.000 2.347 25 V HA 0.113 4.220 4.120 -0.022 0.000 0.280 25 V C -0.576 175.505 176.094 -0.021 0.000 1.021 25 V CA -0.556 61.732 62.300 -0.020 0.000 0.847 25 V CB 0.617 32.435 31.823 -0.008 0.000 0.990 25 V HN 0.176 8.353 8.190 -0.021 0.000 0.444 26 I N 7.529 128.085 120.570 -0.023 0.000 2.428 26 I HA 0.002 4.165 4.170 -0.012 0.000 0.289 26 I C -0.816 175.309 176.117 0.013 0.000 1.019 26 I CA -0.455 60.840 61.300 -0.009 0.000 1.351 26 I CB 0.789 38.785 38.000 -0.007 0.000 1.412 26 I HN 0.228 8.423 8.210 -0.026 0.000 0.513 27 D N 6.805 127.215 120.400 0.018 0.000 2.295 27 D HA 0.094 4.744 4.640 0.017 0.000 0.248 27 D C -0.153 176.164 176.300 0.028 0.000 1.154 27 D CA -0.079 53.933 54.000 0.020 0.000 0.857 27 D CB 0.981 41.793 40.800 0.019 0.000 1.117 27 D HN 0.225 8.605 8.370 0.017 0.000 0.468 28 R N 2.357 122.872 120.500 0.026 0.000 2.568 28 R HA 0.099 4.460 4.340 0.034 0.000 0.288 28 R C -0.890 175.424 176.300 0.023 0.000 1.077 28 R CA -1.435 54.682 56.100 0.028 0.000 1.102 28 R CB -0.994 29.323 30.300 0.027 0.000 1.278 28 R HN 0.281 8.564 8.270 0.022 0.000 0.560 29 K N 1.538 121.952 120.400 0.022 0.000 2.218 29 K HA 0.027 4.355 4.320 0.014 0.000 0.276 29 K C -0.470 176.145 176.600 0.026 0.000 1.022 29 K CA -0.571 55.727 56.287 0.019 0.000 0.946 29 K CB 0.721 33.231 32.500 0.017 0.000 1.000 29 K HN -0.438 7.728 8.250 0.023 0.097 0.468 30 K N 1.849 122.261 120.400 0.021 0.000 2.258 30 K HA 0.091 4.607 4.320 0.061 -0.159 0.284 30 K C 0.482 177.105 176.600 0.038 0.000 1.051 30 K CA -0.610 55.697 56.287 0.034 0.000 0.923 30 K CB 0.430 32.929 32.500 -0.001 0.000 1.046 30 K HN -0.006 8.249 8.250 0.010 0.000 0.474 31 I N 1.551 122.163 120.570 0.071 0.000 3.244 31 I HA 0.245 4.440 4.170 0.042 0.000 0.314 31 I C -0.540 175.629 176.117 0.086 0.000 1.043 31 I CA -1.161 60.178 61.300 0.064 0.000 1.099 31 I CB 0.988 39.026 38.000 0.063 0.000 1.449 31 I HN 0.072 8.339 8.210 0.095 0.000 0.625 32 S N 0.497 116.238 115.700 0.069 0.000 2.690 32 S HA 0.208 4.724 4.470 0.076 0.000 0.291 32 S C 0.509 175.166 174.600 0.095 0.000 1.138 32 S CA -1.574 56.670 58.200 0.073 0.000 1.013 32 S CB 2.400 65.622 63.200 0.037 0.000 1.053 32 S HN -0.215 8.126 8.310 0.052 0.000 0.539 33 A N 0.772 123.653 122.820 0.102 0.000 2.178 33 A HA -0.187 4.177 4.320 0.074 0.000 0.218 33 A C 1.078 178.687 177.584 0.042 0.000 1.157 33 A CA 2.238 54.320 52.037 0.075 0.000 0.689 33 A CB -0.595 18.448 19.000 0.071 0.000 0.787 33 A HN 0.625 8.833 8.150 0.098 0.000 0.465 34 D N -4.763 115.661 120.400 0.039 0.000 2.323 34 D HA -0.059 4.595 4.640 0.023 0.000 0.209 34 D C 0.962 177.277 176.300 0.026 0.000 0.973 34 D CA 1.869 55.886 54.000 0.027 0.000 0.874 34 D CB 0.346 41.160 40.800 0.023 0.000 0.930 34 D HN -0.611 7.703 8.370 0.044 0.082 0.521 35 Q N -2.087 117.732 119.800 0.031 0.000 2.281 35 Q HA 0.155 4.510 4.340 0.025 0.000 0.215 35 Q C 1.700 177.717 176.000 0.027 0.000 0.867 35 Q CA 0.622 56.442 55.803 0.029 0.000 0.940 35 Q CB 1.340 30.097 28.738 0.032 0.000 1.111 35 Q HN -0.157 7.972 8.270 0.040 0.164 0.513 36 V N 1.607 121.535 119.914 0.024 0.000 2.307 36 V HA -0.520 3.602 4.120 0.003 0.000 0.245 36 V C 1.048 177.146 176.094 0.005 0.000 1.045 36 V CA 4.079 66.382 62.300 0.004 0.000 1.024 36 V CB -0.382 31.430 31.823 -0.019 0.000 0.651 36 V HN -0.542 7.511 8.190 0.030 0.155 0.449 37 D N -1.586 118.820 120.400 0.009 0.000 2.158 37 D HA -0.382 4.264 4.640 0.010 0.000 0.197 37 D C 2.441 178.756 176.300 0.024 0.000 0.995 37 D CA 3.799 57.807 54.000 0.014 0.000 0.846 37 D CB -0.482 40.326 40.800 0.014 0.000 0.941 37 D HN -0.134 8.242 8.370 0.011 0.000 0.456 38 Q N -1.839 117.976 119.800 0.026 0.000 2.172 38 Q HA -0.219 4.141 4.340 0.032 0.000 0.200 38 Q C 2.350 178.377 176.000 0.045 0.000 0.964 38 Q CA 2.970 58.793 55.803 0.032 0.000 0.855 38 Q CB -0.369 28.386 28.738 0.028 0.000 0.918 38 Q HN 0.281 8.456 8.270 0.023 0.109 0.444 39 E N 0.100 120.325 120.200 0.043 0.000 2.077 39 E HA -0.264 4.128 4.350 0.070 0.000 0.193 39 E C 2.497 179.156 176.600 0.099 0.000 0.989 39 E CA 2.768 59.204 56.400 0.060 0.000 0.800 39 E CB -0.613 29.103 29.700 0.028 0.000 0.746 39 E HN -0.482 7.790 8.360 0.030 0.106 0.452 40 V N 0.020 119.979 119.914 0.076 0.000 2.295 40 V HA -0.479 3.733 4.120 0.154 0.000 0.246 40 V C 2.079 178.258 176.094 0.142 0.000 1.049 40 V CA 4.738 67.108 62.300 0.116 0.000 1.024 40 V CB -0.502 31.358 31.823 0.063 0.000 0.648 40 V HN -0.474 7.742 8.190 0.044 0.000 0.447 41 E N -0.408 119.844 120.200 0.086 0.000 2.077 41 E HA -0.321 4.063 4.350 0.057 0.000 0.193 41 E C 2.725 179.363 176.600 0.063 0.000 0.989 41 E CA 3.068 59.505 56.400 0.062 0.000 0.800 41 E CB -0.308 29.415 29.700 0.040 0.000 0.746 41 E HN -0.635 7.765 8.360 0.067 0.000 0.452 42 R N -1.252 119.295 120.500 0.080 0.000 2.096 42 R HA -0.298 4.066 4.340 0.040 0.000 0.235 42 R C 2.220 178.577 176.300 0.095 0.000 1.127 42 R CA 3.240 59.384 56.100 0.073 0.000 0.968 42 R CB 0.074 30.422 30.300 0.081 0.000 0.861 42 R HN 0.089 8.332 8.270 0.082 0.075 0.440 43 F N 0.088 120.041 119.950 0.005 0.000 2.147 43 F HA -0.202 4.330 4.527 0.007 0.000 0.291 43 F C 1.133 176.937 175.800 0.006 0.000 1.093 43 F CA 3.018 61.022 58.000 0.006 0.000 1.263 43 F CB 0.446 39.449 39.000 0.005 0.000 1.036 43 F HN 0.244 8.493 8.300 0.266 0.211 0.481 44 L N 0.313 121.598 121.223 0.104 0.000 1.956 44 L HA -0.501 3.804 4.340 -0.058 0.000 0.216 44 L C 1.628 178.430 176.870 -0.114 0.000 1.073 44 L CA 3.937 58.770 54.840 -0.011 0.000 0.762 44 L CB -0.440 41.671 42.059 0.087 0.000 0.889 44 L HN 0.961 9.231 8.230 0.289 0.134 0.433 45 S N -2.277 113.391 115.700 -0.052 0.000 2.382 45 S HA -0.280 4.158 4.470 -0.054 0.000 0.228 45 S C 2.361 176.903 174.600 -0.096 0.000 1.027 45 S CA 3.116 61.281 58.200 -0.057 0.000 0.991 45 S CB -0.593 62.594 63.200 -0.022 0.000 0.823 45 S HN -0.273 7.936 8.310 -0.005 0.098 0.469 46 G N 0.670 109.397 108.800 -0.121 0.000 2.491 46 G HA2 -0.337 3.572 3.960 -0.085 0.000 0.218 46 G HA3 -0.337 3.668 3.960 -0.143 -0.131 0.218 46 G C 1.347 176.122 174.900 -0.209 0.000 1.180 46 G CA 1.562 46.578 45.100 -0.140 0.000 0.774 46 G HN -0.803 7.254 8.290 -0.096 0.176 0.562 47 R N 1.573 121.850 120.500 -0.372 0.000 2.154 47 R HA -0.446 3.707 4.340 -0.313 0.000 0.248 47 R C 1.699 177.895 176.300 -0.173 0.000 1.155 47 R CA 3.277 59.173 56.100 -0.339 0.000 0.979 47 R CB -0.110 29.913 30.300 -0.462 0.000 0.869 47 R HN 0.704 8.545 8.270 -0.517 0.119 0.452 48 A N -1.920 120.818 122.820 -0.137 0.000 1.978 48 A HA -0.235 4.044 4.320 -0.068 0.000 0.220 48 A C 2.108 179.654 177.584 -0.063 0.000 1.170 48 A CA 2.911 54.901 52.037 -0.078 0.000 0.636 48 A CB -0.805 18.160 19.000 -0.059 0.000 0.810 48 A HN -0.019 7.874 8.150 -0.155 0.163 0.448 49 K N -1.402 118.956 120.400 -0.070 0.000 2.029 49 K HA -0.199 4.100 4.320 -0.037 0.000 0.205 49 K C 1.972 178.546 176.600 -0.044 0.000 1.042 49 K CA 2.663 58.921 56.287 -0.048 0.000 0.949 49 K CB 0.150 32.623 32.500 -0.044 0.000 0.740 49 K HN 0.254 8.292 8.250 -0.090 0.158 0.442 50 A N 0.375 123.160 122.820 -0.059 0.000 1.948 50 A HA -0.215 4.381 4.320 -0.021 -0.288 0.220 50 A C 2.121 179.690 177.584 -0.026 0.000 1.177 50 A CA 2.899 54.913 52.037 -0.040 0.000 0.636 50 A CB -0.918 18.048 19.000 -0.057 0.000 0.815 50 A HN -0.271 7.830 8.150 -0.082 0.000 0.449 51 S N -2.493 113.183 115.700 -0.041 0.000 2.383 51 S HA -0.317 4.150 4.470 -0.004 0.000 0.227 51 S C 1.967 176.561 174.600 -0.011 0.000 1.026 51 S CA 2.886 61.074 58.200 -0.021 0.000 0.981 51 S CB -0.310 62.870 63.200 -0.033 0.000 0.818 51 S HN 0.376 8.520 8.310 -0.066 0.126 0.472 52 A N 0.975 123.784 122.820 -0.019 0.000 1.970 52 A HA -0.126 4.186 4.320 -0.013 0.000 0.216 52 A C 2.196 179.773 177.584 -0.013 0.000 1.170 52 A CA 2.513 54.541 52.037 -0.016 0.000 0.645 52 A CB -0.688 18.301 19.000 -0.020 0.000 0.816 52 A HN -0.509 7.509 8.150 -0.029 0.114 0.447 53 Q N -0.233 119.561 119.800 -0.010 0.000 1.941 53 Q HA -0.361 3.972 4.340 -0.012 0.000 0.201 53 Q C 2.626 178.624 176.000 -0.002 0.000 0.982 53 Q CA 3.431 59.230 55.803 -0.007 0.000 0.839 53 Q CB 0.080 28.817 28.738 -0.001 0.000 0.904 53 Q HN 0.296 8.362 8.270 -0.014 0.196 0.427 54 L N -1.852 119.383 121.223 0.020 0.000 2.081 54 L HA -0.498 3.867 4.340 0.041 0.000 0.212 54 L C 2.198 179.076 176.870 0.013 0.000 1.080 54 L CA 3.577 58.444 54.840 0.045 0.000 0.754 54 L CB -0.688 41.434 42.059 0.104 0.000 0.893 54 L HN -0.263 7.980 8.230 0.022 0.000 0.433 55 E N -1.077 119.129 120.200 0.011 0.000 2.058 55 E HA -0.343 4.013 4.350 0.011 0.000 0.194 55 E C 2.572 179.154 176.600 -0.031 0.000 0.997 55 E CA 3.446 59.845 56.400 -0.002 0.000 0.801 55 E CB -0.581 29.119 29.700 -0.001 0.000 0.746 55 E HN -0.504 7.856 8.360 0.014 0.008 0.450 56 T N 1.705 116.239 114.554 -0.034 0.000 2.788 56 T HA -0.256 4.069 4.350 -0.042 0.000 0.268 56 T C 2.076 176.727 174.700 -0.081 0.000 1.044 56 T CA 4.726 66.798 62.100 -0.047 0.000 1.139 56 T CB -0.317 68.530 68.868 -0.036 0.000 0.867 56 T HN -0.157 7.999 8.240 -0.023 0.070 0.454 57 I N 1.316 121.823 120.570 -0.104 0.000 2.439 57 I HA -0.524 3.548 4.170 -0.163 0.000 0.251 57 I C 1.061 176.981 176.117 -0.329 0.000 1.139 57 I CA 3.892 65.075 61.300 -0.195 0.000 1.438 57 I CB -0.602 37.285 38.000 -0.188 0.000 1.085 57 I HN 0.160 8.228 8.210 -0.073 0.099 0.427 58 K N 0.939 121.186 120.400 -0.255 0.000 2.032 58 K HA -0.434 3.619 4.320 -0.446 0.000 0.209 58 K C 2.234 178.740 176.600 -0.157 0.000 1.048 58 K CA 4.025 60.172 56.287 -0.235 0.000 0.927 58 K CB -0.176 32.300 32.500 -0.041 0.000 0.712 58 K HN 0.519 8.458 8.250 -0.149 0.222 0.441 59 T N 0.319 114.811 114.554 -0.103 0.000 2.951 59 T HA -0.213 4.110 4.350 -0.044 0.000 0.268 59 T C 2.003 176.654 174.700 -0.082 0.000 1.073 59 T CA 3.772 65.832 62.100 -0.067 0.000 1.134 59 T CB -0.690 68.150 68.868 -0.048 0.000 0.884 59 T HN -0.497 7.686 8.240 -0.094 0.000 0.479 60 K N 1.735 122.064 120.400 -0.118 0.000 2.155 60 K HA -0.239 4.027 4.320 -0.090 0.000 0.203 60 K C 2.113 178.648 176.600 -0.109 0.000 1.052 60 K CA 3.249 59.469 56.287 -0.112 0.000 0.948 60 K CB -0.371 32.057 32.500 -0.120 0.000 0.728 60 K HN -0.659 7.381 8.250 -0.142 0.125 0.448 61 A N -1.717 121.013 122.820 -0.149 0.000 1.969 61 A HA -0.117 4.260 4.320 0.096 0.000 0.218 61 A C 2.050 179.680 177.584 0.076 0.000 1.169 61 A CA 2.806 54.828 52.037 -0.025 0.000 0.635 61 A CB -0.569 18.312 19.000 -0.198 0.000 0.810 61 A HN -0.072 7.819 8.150 -0.239 0.116 0.445 62 G N -2.841 105.970 108.800 0.018 0.000 2.539 62 G HA2 -0.168 3.982 3.960 0.086 0.000 0.215 62 G HA3 -0.168 4.002 3.960 0.030 -0.192 0.215 62 G C 1.161 176.070 174.900 0.015 0.000 1.141 62 G CA 1.220 46.346 45.100 0.043 0.000 0.806 62 G HN -0.390 7.770 8.290 -0.033 0.111 0.533 63 E N -0.655 119.531 120.200 -0.023 0.000 2.442 63 E HA -0.102 4.233 4.350 -0.026 0.000 0.195 63 E C 1.093 177.645 176.600 -0.079 0.000 1.030 63 E CA 1.573 57.948 56.400 -0.041 0.000 0.869 63 E CB 0.232 29.903 29.700 -0.048 0.000 0.857 63 E HN 0.240 8.390 8.360 -0.036 0.188 0.505 64 T N -0.966 113.516 114.554 -0.119 0.000 2.988 64 T HA -0.063 4.130 4.350 -0.261 0.000 0.240 64 T C 0.632 175.101 174.700 -0.385 0.000 1.014 64 T CA 3.072 64.994 62.100 -0.296 0.000 1.155 64 T CB 0.647 69.266 68.868 -0.414 0.000 0.872 64 T HN -0.142 7.830 8.240 -0.077 0.222 0.440 65 F N -1.840 118.120 119.950 0.016 0.000 2.653 65 F HA 0.224 4.764 4.527 0.022 0.000 0.288 65 F C 0.556 176.372 175.800 0.025 0.000 1.121 65 F CA 0.471 58.488 58.000 0.028 0.000 1.384 65 F CB 2.101 41.135 39.000 0.055 0.000 1.115 65 F HN -0.559 7.780 8.300 0.064 0.000 0.599 66 G N -1.578 107.336 108.800 0.191 0.000 2.392 66 G HA2 -0.118 4.011 3.960 0.072 0.000 0.677 66 G HA3 -0.118 3.909 3.960 0.112 0.000 0.677 66 G C -0.180 174.785 174.900 0.108 0.000 1.334 66 G CA -0.691 44.478 45.100 0.115 0.000 0.961 66 G HN -0.769 7.626 8.290 0.174 0.000 0.616 67 E N 1.691 121.933 120.200 0.070 0.000 2.068 67 E HA -0.528 4.052 4.350 0.053 -0.198 0.207 67 E C 1.905 178.543 176.600 0.063 0.000 1.032 67 E CA 3.224 59.658 56.400 0.057 0.000 0.839 67 E CB -0.067 29.656 29.700 0.038 0.000 0.758 67 E HN 0.498 8.892 8.360 0.057 0.000 0.457 68 E N -1.703 118.530 120.200 0.055 0.000 2.339 68 E HA -0.263 4.101 4.350 0.024 0.000 0.201 68 E C 1.275 177.903 176.600 0.046 0.000 1.015 68 E CA 2.157 58.580 56.400 0.038 0.000 0.841 68 E CB -0.971 28.745 29.700 0.026 0.000 0.754 68 E HN 0.360 8.752 8.360 0.053 0.000 0.508 69 K N -3.689 116.768 120.400 0.094 0.000 2.356 69 K HA 0.098 4.459 4.320 0.069 0.000 0.195 69 K C 1.827 178.553 176.600 0.210 0.000 1.037 69 K CA 0.114 56.487 56.287 0.142 0.000 1.014 69 K CB 0.016 32.655 32.500 0.232 0.000 0.815 69 K HN -0.641 7.601 8.250 0.112 0.076 0.507 70 E N 0.707 120.998 120.200 0.151 0.000 2.150 70 E HA -0.306 4.170 4.350 0.210 0.000 0.193 70 E C 1.931 178.584 176.600 0.089 0.000 0.985 70 E CA 3.143 59.628 56.400 0.142 0.000 0.814 70 E CB -0.211 29.534 29.700 0.075 0.000 0.752 70 E HN 0.460 8.719 8.360 0.113 0.168 0.466 71 A N -1.598 121.241 122.820 0.031 0.000 2.019 71 A HA -0.188 4.127 4.320 -0.010 0.000 0.219 71 A C 1.941 179.460 177.584 -0.107 0.000 1.164 71 A CA 2.941 54.965 52.037 -0.022 0.000 0.644 71 A CB -0.817 18.169 19.000 -0.023 0.000 0.805 71 A HN -0.353 7.805 8.150 0.037 0.015 0.449 72 I N -1.963 118.505 120.570 -0.170 0.000 2.286 72 I HA -0.451 3.467 4.170 -0.420 0.000 0.245 72 I C 1.877 177.471 176.117 -0.871 0.000 1.104 72 I CA 3.327 64.338 61.300 -0.482 0.000 1.397 72 I CB 0.075 37.775 38.000 -0.500 0.000 1.072 72 I HN -0.778 7.262 8.210 -0.078 0.124 0.417 73 F N -1.374 118.347 119.950 -0.382 0.000 2.456 73 F HA -0.245 4.053 4.527 -0.381 0.000 0.298 73 F C 1.909 177.622 175.800 -0.146 0.000 1.104 73 F CA 3.066 60.905 58.000 -0.269 0.000 1.435 73 F CB -0.342 38.614 39.000 -0.073 0.000 1.078 73 F HN -0.757 7.549 8.300 0.010 0.000 0.546 74 E N 0.851 121.069 120.200 0.029 0.000 2.072 74 E HA -0.441 3.952 4.350 0.072 0.000 0.191 74 E C 2.224 178.836 176.600 0.021 0.000 0.985 74 E CA 3.003 59.425 56.400 0.037 0.000 0.801 74 E CB -0.278 29.434 29.700 0.020 0.000 0.750 74 E HN 0.178 8.421 8.360 0.006 0.121 0.452 75 G N -2.615 106.162 108.800 -0.038 0.000 2.421 75 G HA2 -0.212 3.774 3.960 0.044 0.000 0.217 75 G HA3 -0.212 3.760 3.960 0.021 0.000 0.217 75 G C 1.483 176.477 174.900 0.156 0.000 1.143 75 G CA 1.845 46.965 45.100 0.034 0.000 0.784 75 G HN -0.587 7.629 8.290 -0.124 0.000 0.541 76 H N 1.001 120.070 119.070 -0.002 0.000 2.489 76 H HA -0.163 4.382 4.556 -0.019 0.000 0.293 76 H C 2.279 177.630 175.328 0.038 0.000 1.066 76 H CA 1.192 57.241 56.048 0.001 0.000 1.305 76 H CB -0.500 29.255 29.762 -0.012 0.000 1.386 76 H HN -0.554 7.549 8.280 -0.121 0.104 0.551 77 I N -0.075 120.601 120.570 0.176 0.000 2.480 77 I HA -0.344 3.892 4.170 0.110 0.000 0.251 77 I C 0.935 177.099 176.117 0.080 0.000 1.124 77 I CA 2.593 63.960 61.300 0.113 0.000 1.444 77 I CB 0.103 38.158 38.000 0.092 0.000 1.098 77 I HN -0.698 7.452 8.210 0.156 0.155 0.428 78 M N 1.167 120.812 119.600 0.076 0.000 2.108 78 M HA -0.450 4.058 4.480 0.047 0.000 0.261 78 M C 1.278 177.612 176.300 0.056 0.000 1.066 78 M CA 4.089 59.423 55.300 0.057 0.000 1.107 78 M CB 0.218 32.848 32.600 0.051 0.000 1.356 78 M HN -0.796 7.459 8.290 0.085 0.086 0.406 79 L N -3.553 117.708 121.223 0.064 0.000 2.046 79 L HA -0.255 4.108 4.340 0.039 0.000 0.208 79 L C 2.663 179.563 176.870 0.050 0.000 1.077 79 L CA 3.139 58.008 54.840 0.047 0.000 0.747 79 L CB -0.063 42.016 42.059 0.032 0.000 0.896 79 L HN -0.561 7.716 8.230 0.085 0.004 0.432 80 L N -1.101 120.156 121.223 0.056 0.000 2.056 80 L HA -0.268 4.111 4.340 0.065 0.000 0.207 80 L C 1.426 178.332 176.870 0.061 0.000 1.078 80 L CA 2.875 57.750 54.840 0.058 0.000 0.749 80 L CB 0.096 42.184 42.059 0.049 0.000 0.901 80 L HN -0.768 7.420 8.230 0.065 0.081 0.433 81 E N -4.573 115.657 120.200 0.049 0.000 2.476 81 E HA -0.116 4.259 4.350 0.042 0.000 0.191 81 E C -0.902 175.730 176.600 0.054 0.000 1.064 81 E CA -0.305 56.122 56.400 0.044 0.000 0.866 81 E CB -0.235 29.484 29.700 0.031 0.000 0.952 81 E HN -0.020 8.259 8.360 0.050 0.111 0.492 82 D N 1.437 121.871 120.400 0.057 0.000 2.581 82 D HA -0.192 4.473 4.640 0.041 0.000 0.238 82 D C 0.551 176.884 176.300 0.055 0.000 1.145 82 D CA 0.874 54.903 54.000 0.049 0.000 0.866 82 D CB 0.744 41.570 40.800 0.044 0.000 1.151 82 D HN -0.795 7.390 8.370 0.059 0.220 0.500 83 E N 6.138 126.364 120.200 0.044 0.000 2.268 83 E HA -0.352 4.032 4.350 0.057 0.000 0.195 83 E C 1.698 178.319 176.600 0.036 0.000 0.995 83 E CA 2.518 58.944 56.400 0.043 0.000 0.836 83 E CB 0.153 29.872 29.700 0.032 0.000 0.763 83 E HN 0.436 8.818 8.360 0.037 0.000 0.491 84 E N -0.578 119.639 120.200 0.028 0.000 2.033 84 E HA -0.229 4.127 4.350 0.011 0.000 0.189 84 E C 2.184 178.792 176.600 0.015 0.000 0.979 84 E CA 3.232 59.642 56.400 0.016 0.000 0.802 84 E CB -0.220 29.487 29.700 0.011 0.000 0.763 84 E HN 0.333 9.095 8.360 0.029 -0.385 0.449 85 L N -2.378 118.860 121.223 0.025 0.000 2.450 85 L HA -0.086 4.425 4.340 0.002 -0.169 0.224 85 L C 2.536 179.423 176.870 0.028 0.000 1.149 85 L CA 2.306 57.160 54.840 0.022 0.000 0.816 85 L CB -0.886 41.197 42.059 0.039 0.000 0.932 85 L HN -0.135 8.263 8.230 0.031 -0.150 0.449 86 E N 0.356 120.589 120.200 0.055 0.000 2.051 86 E HA -0.397 4.025 4.350 0.120 0.000 0.189 86 E C 2.018 178.615 176.600 -0.006 0.000 0.979 86 E CA 3.311 59.759 56.400 0.080 0.000 0.803 86 E CB 0.041 29.820 29.700 0.131 0.000 0.761 86 E HN -0.394 7.903 8.360 0.055 0.096 0.451 87 Q N -1.281 118.517 119.800 -0.003 0.000 2.170 87 Q HA -0.329 3.996 4.340 -0.026 0.000 0.203 87 Q C 2.782 178.749 176.000 -0.054 0.000 0.976 87 Q CA 3.248 59.036 55.803 -0.025 0.000 0.858 87 Q CB 0.080 28.811 28.738 -0.012 0.000 0.907 87 Q HN -0.506 7.773 8.270 0.014 0.000 0.433 88 E N -0.032 120.136 120.200 -0.053 0.000 2.072 88 E HA -0.276 4.039 4.350 -0.059 0.000 0.191 88 E C 2.403 178.937 176.600 -0.109 0.000 0.985 88 E CA 2.880 59.240 56.400 -0.066 0.000 0.801 88 E CB -0.143 29.528 29.700 -0.049 0.000 0.750 88 E HN -0.593 7.730 8.360 -0.035 0.016 0.452 89 I N 0.130 120.608 120.570 -0.153 0.000 2.099 89 I HA -0.594 3.450 4.170 -0.209 0.000 0.239 89 I C 1.703 177.649 176.117 -0.285 0.000 1.066 89 I CA 4.372 65.512 61.300 -0.267 0.000 1.324 89 I CB -0.061 37.655 38.000 -0.474 0.000 1.037 89 I HN -0.783 7.352 8.210 -0.125 0.000 0.401 90 I N -1.132 119.270 120.570 -0.281 0.000 2.053 90 I HA -0.722 3.303 4.170 -0.241 0.000 0.236 90 I C 1.563 177.592 176.117 -0.146 0.000 1.038 90 I CA 4.454 65.633 61.300 -0.202 0.000 1.304 90 I CB -0.613 37.318 38.000 -0.115 0.000 1.023 90 I HN -0.282 7.765 8.210 -0.272 0.000 0.395 91 A N -1.076 121.677 122.820 -0.111 0.000 1.896 91 A HA -0.444 3.824 4.320 -0.088 0.000 0.220 91 A C 1.947 179.467 177.584 -0.106 0.000 1.206 91 A CA 3.251 55.232 52.037 -0.093 0.000 0.647 91 A CB -1.025 17.933 19.000 -0.070 0.000 0.828 91 A HN -0.465 7.625 8.150 -0.101 0.000 0.455 92 L N -1.713 119.447 121.223 -0.106 0.000 1.971 92 L HA -0.522 3.772 4.340 -0.075 0.000 0.215 92 L C 2.419 179.223 176.870 -0.110 0.000 1.072 92 L CA 3.382 58.166 54.840 -0.094 0.000 0.758 92 L CB -0.393 41.613 42.059 -0.090 0.000 0.889 92 L HN -0.383 7.782 8.230 -0.108 0.000 0.433 93 I N -1.453 119.039 120.570 -0.130 0.000 2.185 93 I HA -0.591 3.775 4.170 -0.090 -0.250 0.246 93 I C 2.250 178.268 176.117 -0.164 0.000 1.088 93 I CA 3.846 65.072 61.300 -0.123 0.000 1.347 93 I CB -0.350 37.570 38.000 -0.133 0.000 1.041 93 I HN -0.209 7.910 8.210 -0.152 0.000 0.415 94 K N -3.089 117.204 120.400 -0.179 0.000 2.166 94 K HA -0.190 3.962 4.320 -0.280 0.000 0.201 94 K C 1.750 178.147 176.600 -0.338 0.000 1.052 94 K CA 2.645 58.786 56.287 -0.242 0.000 0.969 94 K CB 0.185 32.594 32.500 -0.153 0.000 0.761 94 K HN -0.390 7.694 8.250 -0.150 0.076 0.459 95 D N -1.265 119.008 120.400 -0.213 0.000 2.183 95 D HA -0.105 4.444 4.640 -0.151 0.000 0.205 95 D C 0.908 177.148 176.300 -0.099 0.000 0.962 95 D CA 2.384 56.294 54.000 -0.150 0.000 0.849 95 D CB 0.805 41.560 40.800 -0.075 0.000 0.978 95 D HN 0.407 8.544 8.370 -0.159 0.137 0.488 96 K N -3.174 117.181 120.400 -0.075 0.000 2.399 96 K HA 0.105 4.516 4.320 0.151 0.000 0.204 96 K C -1.337 175.353 176.600 0.151 0.000 1.023 96 K CA -1.107 55.221 56.287 0.068 0.000 1.127 96 K CB 0.233 32.746 32.500 0.023 0.000 0.856 96 K HN -0.008 8.052 8.250 -0.108 0.125 0.514 97 H N -5.544 113.514 119.070 -0.019 0.000 2.626 97 H HA -0.396 4.263 4.556 -0.014 -0.111 0.317 97 H C -1.421 173.899 175.328 -0.013 0.000 1.140 97 H CA 1.000 57.040 56.048 -0.014 0.000 1.134 97 H CB -2.944 26.812 29.762 -0.009 0.000 1.486 97 H HN -0.379 7.589 8.280 -0.409 0.067 0.417 98 M N -2.973 116.646 119.600 0.032 0.000 2.409 98 M HA 0.173 4.680 4.480 0.044 0.000 0.329 98 M C 0.077 176.382 176.300 0.008 0.000 1.180 98 M CA -0.073 55.240 55.300 0.023 0.000 1.053 98 M CB 2.590 35.189 32.600 -0.002 0.000 1.586 98 M HN -1.013 7.260 8.290 -0.025 0.002 0.461 99 T N -1.625 112.941 114.554 0.021 0.000 2.913 99 T HA 0.021 4.384 4.350 0.021 0.000 0.297 99 T C 0.467 175.175 174.700 0.014 0.000 1.029 99 T CA -0.795 61.318 62.100 0.022 0.000 1.104 99 T CB 0.714 69.601 68.868 0.032 0.000 0.964 99 T HN 0.071 8.328 8.240 0.029 0.000 0.532 100 A N 3.591 126.422 122.820 0.020 0.000 2.032 100 A HA -0.382 3.905 4.320 -0.056 0.000 0.221 100 A C 1.532 179.154 177.584 0.062 0.000 1.165 100 A CA 3.296 55.349 52.037 0.025 0.000 0.645 100 A CB -0.324 18.746 19.000 0.117 0.000 0.807 100 A HN 0.135 8.565 8.150 0.029 -0.262 0.453 101 D N -2.296 118.141 120.400 0.062 0.000 2.103 101 D HA -0.317 4.368 4.640 0.075 0.000 0.199 101 D C 1.628 177.974 176.300 0.076 0.000 0.978 101 D CA 3.608 57.646 54.000 0.063 0.000 0.829 101 D CB -0.217 40.607 40.800 0.040 0.000 0.981 101 D HN 0.017 8.375 8.370 0.052 0.043 0.464 102 A N 0.680 123.539 122.820 0.065 0.000 1.841 102 A HA -0.316 4.083 4.320 0.132 0.000 0.214 102 A C 1.417 179.044 177.584 0.070 0.000 1.195 102 A CA 2.936 55.025 52.037 0.085 0.000 0.611 102 A CB -0.630 18.403 19.000 0.055 0.000 0.835 102 A HN -0.398 7.703 8.150 0.048 0.078 0.443 103 A N -1.789 121.042 122.820 0.018 0.000 1.865 103 A HA -0.327 3.977 4.320 -0.027 0.000 0.217 103 A C 1.414 178.988 177.584 -0.017 0.000 1.191 103 A CA 3.005 55.026 52.037 -0.027 0.000 0.623 103 A CB -0.619 18.331 19.000 -0.082 0.000 0.826 103 A HN 0.489 8.539 8.150 0.011 0.106 0.444 104 A N -2.470 120.351 122.820 0.002 0.000 1.978 104 A HA -0.418 3.903 4.320 0.002 0.000 0.220 104 A C 1.250 178.902 177.584 0.114 0.000 1.170 104 A CA 2.940 55.007 52.037 0.049 0.000 0.636 104 A CB -0.832 18.241 19.000 0.122 0.000 0.810 104 A HN -0.380 7.662 8.150 -0.001 0.108 0.448 105 H N -0.571 118.502 119.070 0.004 0.000 2.395 105 H HA -0.205 4.356 4.556 0.009 0.000 0.299 105 H C 1.968 177.291 175.328 -0.007 0.000 1.070 105 H CA 2.021 58.071 56.048 0.003 0.000 1.356 105 H CB 0.063 29.828 29.762 0.005 0.000 1.401 105 H HN -0.458 7.813 8.280 0.185 0.120 0.524 106 E N 0.067 120.219 120.200 -0.080 0.000 2.023 106 E HA -0.424 3.774 4.350 -0.252 0.000 0.196 106 E C 2.262 178.791 176.600 -0.118 0.000 1.003 106 E CA 3.164 59.472 56.400 -0.153 0.000 0.809 106 E CB -0.102 29.548 29.700 -0.084 0.000 0.755 106 E HN -0.401 7.867 8.360 0.013 0.100 0.449 107 V N -0.914 118.963 119.914 -0.063 0.000 2.252 107 V HA -0.443 3.646 4.120 -0.052 0.000 0.249 107 V C 1.954 178.026 176.094 -0.037 0.000 1.056 107 V CA 4.377 66.651 62.300 -0.045 0.000 1.022 107 V CB -0.419 31.388 31.823 -0.026 0.000 0.641 107 V HN -0.656 7.506 8.190 -0.048 0.000 0.445 108 I N -3.734 116.832 120.570 -0.006 0.000 2.567 108 I HA -0.397 3.777 4.170 0.007 0.000 0.257 108 I C 2.022 178.121 176.117 -0.029 0.000 1.184 108 I CA 2.118 63.429 61.300 0.017 0.000 1.451 108 I CB -1.602 36.460 38.000 0.104 0.000 1.089 108 I HN -0.561 7.659 8.210 0.017 0.000 0.441 109 E N 0.346 120.468 120.200 -0.129 0.000 2.152 109 E HA -0.218 4.046 4.350 -0.145 0.000 0.192 109 E C 2.294 178.832 176.600 -0.104 0.000 0.983 109 E CA 2.841 59.129 56.400 -0.186 0.000 0.818 109 E CB -0.194 29.297 29.700 -0.347 0.000 0.758 109 E HN -0.040 8.041 8.360 -0.156 0.186 0.467 110 G N -1.611 107.138 108.800 -0.086 0.000 2.539 110 G HA2 -0.092 3.832 3.960 -0.061 0.000 0.215 110 G HA3 -0.092 3.833 3.960 -0.058 0.000 0.215 110 G C 1.763 176.633 174.900 -0.050 0.000 1.141 110 G CA 1.094 46.157 45.100 -0.062 0.000 0.806 110 G HN -0.476 7.643 8.290 -0.089 0.117 0.533 111 Q N 1.996 121.769 119.800 -0.045 0.000 2.079 111 Q HA -0.286 4.028 4.340 -0.043 0.000 0.200 111 Q C 2.389 178.359 176.000 -0.050 0.000 0.974 111 Q CA 2.947 58.724 55.803 -0.043 0.000 0.840 111 Q CB -0.428 28.288 28.738 -0.037 0.000 0.898 111 Q HN -0.181 8.062 8.270 -0.045 0.000 0.430 112 A N -0.809 121.985 122.820 -0.044 0.000 1.874 112 A HA -0.256 4.031 4.320 -0.056 0.000 0.214 112 A C 1.543 179.101 177.584 -0.043 0.000 1.189 112 A CA 2.752 54.763 52.037 -0.044 0.000 0.615 112 A CB -0.749 18.236 19.000 -0.026 0.000 0.830 112 A HN -0.519 7.608 8.150 -0.037 0.000 0.443 113 S N -1.401 114.274 115.700 -0.040 0.000 2.368 113 S HA -0.367 4.083 4.470 -0.033 0.000 0.225 113 S C 1.993 176.569 174.600 -0.039 0.000 1.030 113 S CA 2.888 61.065 58.200 -0.038 0.000 0.999 113 S CB -0.180 62.995 63.200 -0.041 0.000 0.844 113 S HN -0.624 7.660 8.310 -0.042 0.000 0.459 114 A N 0.407 123.202 122.820 -0.043 0.000 1.933 114 A HA -0.185 4.114 4.320 -0.036 0.000 0.218 114 A C 2.572 180.129 177.584 -0.045 0.000 1.175 114 A CA 2.676 54.689 52.037 -0.041 0.000 0.628 114 A CB -0.630 18.346 19.000 -0.040 0.000 0.814 114 A HN 0.034 8.034 8.150 -0.045 0.123 0.444 115 L N -3.215 117.974 121.223 -0.056 0.000 2.201 115 L HA -0.326 3.972 4.340 -0.071 0.000 0.212 115 L C 2.359 179.193 176.870 -0.060 0.000 1.105 115 L CA 2.588 57.386 54.840 -0.070 0.000 0.775 115 L CB -0.295 41.708 42.059 -0.094 0.000 0.913 115 L HN -0.571 7.533 8.230 -0.056 0.093 0.440 116 E N -2.455 117.716 120.200 -0.048 0.000 2.268 116 E HA -0.270 4.056 4.350 -0.040 0.000 0.195 116 E C 0.823 177.404 176.600 -0.031 0.000 0.995 116 E CA 2.140 58.517 56.400 -0.038 0.000 0.836 116 E CB -0.430 29.252 29.700 -0.031 0.000 0.763 116 E HN -0.499 7.705 8.360 -0.047 0.128 0.491 117 E N -3.508 116.673 120.200 -0.031 0.000 2.481 117 E HA -0.099 4.239 4.350 -0.021 0.000 0.195 117 E C 0.278 176.864 176.600 -0.023 0.000 1.047 117 E CA 0.183 56.568 56.400 -0.025 0.000 0.867 117 E CB 0.173 29.859 29.700 -0.024 0.000 0.858 117 E HN -0.625 7.545 8.360 -0.035 0.168 0.513 118 L N -0.478 120.727 121.223 -0.029 0.000 2.375 118 L HA 0.026 4.355 4.340 -0.018 0.000 0.271 118 L C 0.428 177.288 176.870 -0.017 0.000 1.107 118 L CA -0.118 54.707 54.840 -0.025 0.000 0.806 118 L CB 1.024 43.060 42.059 -0.038 0.000 1.146 118 L HN -0.638 7.378 8.230 -0.037 0.192 0.447 119 D N 2.865 123.261 120.400 -0.007 0.000 3.110 119 D HA 0.100 4.738 4.640 -0.004 0.000 0.254 119 D C -1.328 174.978 176.300 0.009 0.000 1.283 119 D CA 0.445 54.444 54.000 -0.000 0.000 0.944 119 D CB -1.104 39.697 40.800 0.002 0.000 1.066 119 D HN 0.162 8.530 8.370 -0.004 0.000 0.496 120 D N 0.160 120.565 120.400 0.008 0.000 2.763 120 D HA 0.188 4.853 4.640 0.041 0.000 0.235 120 D C -0.141 176.176 176.300 0.028 0.000 1.334 120 D CA -0.008 54.013 54.000 0.035 0.000 0.950 120 D CB 2.598 43.437 40.800 0.065 0.000 1.433 120 D HN -0.717 7.582 8.370 -0.007 0.067 0.580 121 E N 5.850 126.076 120.200 0.043 0.000 2.331 121 E HA -0.367 3.987 4.350 0.008 0.000 0.199 121 E C 1.032 177.669 176.600 0.063 0.000 1.008 121 E CA 2.647 59.068 56.400 0.035 0.000 0.843 121 E CB -0.158 29.565 29.700 0.039 0.000 0.761 121 E HN 0.597 8.984 8.360 0.046 0.000 0.507 122 Y N 0.958 121.246 120.300 -0.020 0.000 2.138 122 Y HA -0.303 4.231 4.550 -0.027 0.000 0.286 122 Y C 0.664 176.549 175.900 -0.026 0.000 1.115 122 Y CA 2.915 61.000 58.100 -0.024 0.000 1.105 122 Y CB -0.005 38.441 38.460 -0.022 0.000 1.004 122 Y HN -0.453 8.150 8.280 0.193 -0.208 0.494 123 L N -2.254 118.613 121.223 -0.593 0.000 2.191 123 L HA -0.422 3.345 4.340 -0.955 0.000 0.212 123 L C 2.086 178.769 176.870 -0.312 0.000 1.103 123 L CA 2.408 56.878 54.840 -0.617 0.000 0.769 123 L CB -0.291 41.566 42.059 -0.336 0.000 0.908 123 L HN -0.400 7.698 8.230 -0.219 0.000 0.438 124 K N -0.109 120.182 120.400 -0.183 0.000 1.984 124 K HA -0.337 3.919 4.320 -0.107 0.000 0.209 124 K C 2.492 179.027 176.600 -0.109 0.000 1.046 124 K CA 3.290 59.510 56.287 -0.111 0.000 0.934 124 K CB -0.136 32.328 32.500 -0.060 0.000 0.717 124 K HN -0.088 8.047 8.250 -0.145 0.028 0.438 125 E N -1.270 118.875 120.200 -0.090 0.000 2.331 125 E HA -0.348 3.970 4.350 -0.054 0.000 0.199 125 E C 2.208 178.743 176.600 -0.107 0.000 1.008 125 E CA 2.750 59.109 56.400 -0.069 0.000 0.843 125 E CB -0.521 29.164 29.700 -0.026 0.000 0.761 125 E HN -0.305 7.901 8.360 -0.073 0.110 0.507 126 R N -0.703 119.692 120.500 -0.176 0.000 2.153 126 R HA -0.104 4.340 4.340 -0.166 -0.204 0.218 126 R C 1.616 177.819 176.300 -0.162 0.000 1.072 126 R CA 2.531 58.513 56.100 -0.198 0.000 0.990 126 R CB -0.030 30.088 30.300 -0.303 0.000 0.889 126 R HN -0.533 7.492 8.270 -0.220 0.113 0.452 127 A N -0.647 122.091 122.820 -0.136 0.000 1.908 127 A HA -0.308 3.949 4.320 -0.104 0.000 0.218 127 A C 1.438 178.972 177.584 -0.084 0.000 1.181 127 A CA 3.259 55.236 52.037 -0.101 0.000 0.627 127 A CB -0.910 18.042 19.000 -0.079 0.000 0.818 127 A HN 0.608 8.498 8.150 -0.143 0.174 0.445 128 A N -2.571 120.203 122.820 -0.076 0.000 1.930 128 A HA -0.303 3.992 4.320 -0.043 0.000 0.217 128 A C 1.854 179.391 177.584 -0.078 0.000 1.175 128 A CA 3.124 55.126 52.037 -0.058 0.000 0.627 128 A CB -0.727 18.248 19.000 -0.042 0.000 0.815 128 A HN -0.397 7.616 8.150 -0.080 0.089 0.443 129 D N -1.081 119.249 120.400 -0.115 0.000 2.178 129 D HA -0.193 4.368 4.640 -0.131 0.000 0.202 129 D C 2.229 178.398 176.300 -0.219 0.000 0.974 129 D CA 3.399 57.296 54.000 -0.172 0.000 0.841 129 D CB -0.084 40.584 40.800 -0.220 0.000 0.953 129 D HN -0.664 7.548 8.370 -0.117 0.088 0.478 130 V N 0.929 120.731 119.914 -0.186 0.000 2.346 130 V HA -0.372 3.618 4.120 -0.216 0.000 0.244 130 V C 1.353 177.394 176.094 -0.089 0.000 1.037 130 V CA 3.383 65.586 62.300 -0.160 0.000 1.029 130 V CB -0.124 31.623 31.823 -0.127 0.000 0.663 130 V HN 0.373 8.247 8.190 -0.160 0.220 0.454 131 R N -0.188 120.276 120.500 -0.060 0.000 2.105 131 R HA -0.475 3.866 4.340 0.002 0.000 0.239 131 R C 1.574 177.864 176.300 -0.016 0.000 1.135 131 R CA 3.888 59.978 56.100 -0.018 0.000 0.967 131 R CB -0.328 29.968 30.300 -0.007 0.000 0.861 131 R HN 0.028 8.257 8.270 -0.069 0.000 0.442 132 D N -1.197 119.184 120.400 -0.032 0.000 2.149 132 D HA -0.209 4.432 4.640 0.002 0.000 0.198 132 D C 2.241 178.538 176.300 -0.004 0.000 0.990 132 D CA 3.123 57.115 54.000 -0.012 0.000 0.839 132 D CB -0.367 40.426 40.800 -0.013 0.000 0.948 132 D HN -0.451 7.880 8.370 -0.052 0.007 0.460 133 I N -2.366 118.186 120.570 -0.030 0.000 2.394 133 I HA -0.290 3.891 4.170 0.018 0.000 0.251 133 I C 1.839 177.965 176.117 0.015 0.000 1.136 133 I CA 2.744 64.039 61.300 -0.008 0.000 1.425 133 I CB -0.300 37.673 38.000 -0.045 0.000 1.079 133 I HN -0.490 7.559 8.210 -0.068 0.120 0.425 134 G N -0.141 108.669 108.800 0.017 0.000 2.396 134 G HA2 -0.278 3.716 3.960 0.057 0.000 0.214 134 G HA3 -0.278 3.715 3.960 0.056 0.000 0.214 134 G C 0.787 175.704 174.900 0.030 0.000 1.166 134 G CA 1.673 46.798 45.100 0.042 0.000 0.793 134 G HN -0.603 7.564 8.290 0.002 0.124 0.533 135 K N 2.470 122.879 120.400 0.015 0.000 2.020 135 K HA -0.450 3.860 4.320 -0.017 0.000 0.212 135 K C 2.239 178.844 176.600 0.009 0.000 1.050 135 K CA 3.921 60.208 56.287 0.001 0.000 0.929 135 K CB -0.073 32.428 32.500 0.002 0.000 0.714 135 K HN 0.078 8.336 8.250 0.014 0.000 0.443 136 R N -1.969 118.542 120.500 0.018 0.000 2.083 136 R HA -0.356 3.995 4.340 0.018 0.000 0.237 136 R C 2.559 178.870 176.300 0.018 0.000 1.137 136 R CA 3.098 59.211 56.100 0.021 0.000 0.951 136 R CB -0.192 30.127 30.300 0.032 0.000 0.851 136 R HN -0.638 7.645 8.270 0.021 0.000 0.434 137 L N 0.171 121.408 121.223 0.025 0.000 2.043 137 L HA -0.304 4.169 4.340 0.009 -0.127 0.212 137 L C 1.784 178.675 176.870 0.035 0.000 1.075 137 L CA 3.021 57.879 54.840 0.029 0.000 0.752 137 L CB -0.277 41.817 42.059 0.058 0.000 0.891 137 L HN -0.677 7.570 8.230 0.029 0.000 0.432 138 L N -1.503 119.738 121.223 0.030 0.000 1.976 138 L HA -0.514 3.850 4.340 0.039 0.000 0.209 138 L C 2.240 179.117 176.870 0.011 0.000 1.071 138 L CA 3.541 58.392 54.840 0.019 0.000 0.746 138 L CB -0.476 41.574 42.059 -0.016 0.000 0.890 138 L HN 0.323 8.483 8.230 0.026 0.086 0.432 139 R N -2.491 118.012 120.500 0.004 0.000 2.211 139 R HA -0.467 3.873 4.340 0.000 0.000 0.240 139 R C 2.669 178.972 176.300 0.005 0.000 1.144 139 R CA 3.505 59.607 56.100 0.003 0.000 0.992 139 R CB -0.605 29.697 30.300 0.004 0.000 0.869 139 R HN -0.048 8.223 8.270 0.002 0.000 0.462 140 N N -1.709 116.994 118.700 0.006 0.000 2.290 140 N HA -0.167 4.571 4.740 -0.003 0.000 0.179 140 N C 2.201 177.713 175.510 0.003 0.000 1.016 140 N CA 2.280 55.329 53.050 -0.002 0.000 0.871 140 N CB 0.180 38.658 38.487 -0.015 0.000 0.987 140 N HN -0.436 7.773 8.380 0.009 0.176 0.431 141 I N -0.026 120.555 120.570 0.019 0.000 2.252 141 I HA -0.350 3.838 4.170 0.031 0.000 0.245 141 I C 1.295 177.428 176.117 0.027 0.000 1.102 141 I CA 3.308 64.629 61.300 0.035 0.000 1.385 141 I CB 0.249 38.291 38.000 0.070 0.000 1.064 141 I HN -0.337 7.796 8.210 0.024 0.091 0.414 142 L N -4.953 116.281 121.223 0.020 0.000 2.591 142 L HA 0.081 4.431 4.340 0.017 0.000 0.228 142 L C -0.222 176.653 176.870 0.009 0.000 1.133 142 L CA -0.531 54.317 54.840 0.014 0.000 0.880 142 L CB -0.319 41.745 42.059 0.009 0.000 1.033 142 L HN -0.429 7.812 8.230 0.018 0.000 0.450 143 G N -1.675 107.129 108.800 0.007 0.000 2.269 143 G HA2 -0.445 3.516 3.960 0.002 0.000 0.277 143 G HA3 -0.445 3.517 3.960 0.004 0.000 0.277 143 G C 0.063 174.965 174.900 0.004 0.000 1.008 143 G CA 0.843 45.945 45.100 0.004 0.000 0.774 143 G HN -0.756 7.387 8.290 0.009 0.153 0.511 144 L N -1.297 119.928 121.223 0.004 0.000 2.517 144 L HA -0.232 4.110 4.340 0.003 0.000 0.294 144 L C -0.239 176.633 176.870 0.003 0.000 1.264 144 L CA 0.707 55.549 54.840 0.003 0.000 0.839 144 L CB 0.953 43.013 42.059 0.001 0.000 1.098 144 L HN -0.814 7.365 8.230 0.004 0.054 0.525 145 K N 3.631 124.033 120.400 0.004 0.000 2.355 145 K HA -0.131 4.191 4.320 0.004 0.000 0.270 145 K C -0.734 175.870 176.600 0.006 0.000 1.003 145 K CA 0.738 57.027 56.287 0.005 0.000 0.957 145 K CB 0.601 33.104 32.500 0.005 0.000 0.939 145 K HN 0.032 8.284 8.250 0.004 0.000 0.482 146 I N 2.496 123.070 120.570 0.007 0.000 2.460 146 I HA 0.043 4.220 4.170 0.011 0.000 0.298 146 I C -0.558 175.566 176.117 0.011 0.000 0.989 146 I CA -1.203 60.103 61.300 0.009 0.000 1.173 146 I CB 2.464 40.469 38.000 0.009 0.000 1.338 146 I HN 0.137 8.351 8.210 0.006 0.000 0.456 147 I N 5.770 126.349 120.570 0.015 0.000 2.452 147 I HA -0.180 3.998 4.170 0.014 0.000 0.287 147 I C -0.580 175.548 176.117 0.017 0.000 1.079 147 I CA 0.191 61.502 61.300 0.017 0.000 1.387 147 I CB 0.442 38.456 38.000 0.022 0.000 1.404 147 I HN 0.232 8.452 8.210 0.017 0.000 0.522 148 D N 9.128 129.536 120.400 0.014 0.000 2.500 148 D HA 0.183 4.831 4.640 0.012 0.000 0.219 148 D C 0.381 176.691 176.300 0.015 0.000 1.137 148 D CA -0.246 53.761 54.000 0.012 0.000 0.946 148 D CB -0.895 39.909 40.800 0.007 0.000 1.022 148 D HN 0.385 8.762 8.370 0.013 0.000 0.518 149 L N 1.621 122.857 121.223 0.022 0.000 2.341 149 L HA -0.053 4.302 4.340 0.026 0.000 0.214 149 L C 0.549 177.433 176.870 0.023 0.000 1.115 149 L CA 1.532 56.389 54.840 0.028 0.000 0.820 149 L CB 0.041 42.126 42.059 0.043 0.000 0.944 149 L HN -0.492 7.752 8.230 0.024 0.000 0.452 150 S N -1.894 113.815 115.700 0.015 0.000 2.803 150 S HA -0.160 4.316 4.470 0.009 0.000 0.228 150 S C -0.391 174.210 174.600 0.001 0.000 0.953 150 S CA 0.279 58.482 58.200 0.006 0.000 0.983 150 S CB -1.422 61.776 63.200 -0.004 0.000 0.784 150 S HN 0.003 8.293 8.310 0.014 0.029 0.498 151 A N 0.580 123.402 122.820 0.004 0.000 2.610 151 A HA 0.298 4.617 4.320 -0.002 0.000 0.290 151 A C -0.470 177.115 177.584 0.002 0.000 1.001 151 A CA -0.774 51.264 52.037 0.001 0.000 1.004 151 A CB 0.351 19.352 19.000 0.001 0.000 1.220 151 A HN -0.716 7.314 8.150 0.008 0.125 0.507 152 I N 0.230 120.802 120.570 0.004 0.000 2.779 152 I HA -0.137 4.035 4.170 0.004 0.000 0.285 152 I C -0.418 175.699 176.117 -0.001 0.000 1.134 152 I CA 0.788 62.089 61.300 0.003 0.000 1.398 152 I CB 1.183 39.186 38.000 0.004 0.000 1.404 152 I HN -0.601 7.613 8.210 0.005 0.000 0.587 153 Q N 0.545 120.345 119.800 -0.001 0.000 2.143 153 Q HA 0.092 4.430 4.340 -0.003 0.000 0.242 153 Q C -1.258 174.741 176.000 -0.002 0.000 0.790 153 Q CA -0.200 55.602 55.803 -0.002 0.000 0.954 153 Q CB 1.418 30.155 28.738 -0.001 0.000 1.155 153 Q HN 0.227 8.497 8.270 0.000 0.000 0.474 154 D N 1.029 121.428 120.400 -0.003 0.000 2.375 154 D HA 0.178 4.817 4.640 -0.002 0.000 0.247 154 D C -1.284 175.010 176.300 -0.010 0.000 1.061 154 D CA -0.671 53.327 54.000 -0.003 0.000 0.834 154 D CB 1.187 41.987 40.800 0.001 0.000 1.247 154 D HN -0.350 8.018 8.370 -0.002 0.000 0.489 155 E N 2.785 122.977 120.200 -0.012 0.000 2.415 155 E HA 0.069 4.634 4.350 -0.029 -0.232 0.260 155 E C -0.508 176.072 176.600 -0.032 0.000 1.016 155 E CA 0.536 56.922 56.400 -0.024 0.000 0.924 155 E CB 0.218 29.907 29.700 -0.019 0.000 0.961 155 E HN 0.326 8.682 8.360 -0.007 0.000 0.459 156 V N -2.568 117.317 119.914 -0.049 0.000 3.202 156 V HA 0.759 4.838 4.120 -0.068 0.000 0.306 156 V C -1.796 174.244 176.094 -0.090 0.000 1.283 156 V CA -2.572 59.691 62.300 -0.062 0.000 1.065 156 V CB 3.152 34.950 31.823 -0.042 0.000 1.079 156 V HN -0.382 7.776 8.190 -0.053 0.000 0.448 157 I N -2.057 118.453 120.570 -0.099 0.000 2.713 157 I HA -0.026 4.047 4.170 -0.161 0.000 0.300 157 I C -1.462 174.606 176.117 -0.081 0.000 1.009 157 I CA -0.496 60.733 61.300 -0.119 0.000 1.305 157 I CB 0.896 38.825 38.000 -0.118 0.000 1.430 157 I HN 0.228 8.381 8.210 -0.095 0.000 0.546 158 L N 4.772 125.947 121.223 -0.081 0.000 2.287 158 L HA 0.302 4.644 4.340 0.003 0.000 0.287 158 L C -2.123 174.760 176.870 0.022 0.000 1.022 158 L CA -0.729 54.109 54.840 -0.004 0.000 0.814 158 L CB 1.990 44.084 42.059 0.057 0.000 1.217 158 L HN -0.213 7.935 8.230 -0.137 0.000 0.420 159 V N 7.903 127.832 119.914 0.024 0.000 2.540 159 V HA 0.981 5.366 4.120 0.032 -0.246 0.302 159 V C -1.793 174.323 176.094 0.037 0.000 1.035 159 V CA -1.890 60.425 62.300 0.026 0.000 0.873 159 V CB 2.832 34.660 31.823 0.009 0.000 0.992 159 V HN -0.239 7.963 8.190 0.020 0.000 0.428 160 A N 4.785 127.631 122.820 0.042 0.000 2.605 160 A HA 0.496 4.836 4.320 0.034 0.000 0.294 160 A C -1.749 175.857 177.584 0.036 0.000 1.062 160 A CA -0.756 51.305 52.037 0.041 0.000 0.682 160 A CB 3.359 22.391 19.000 0.054 0.000 1.278 160 A HN 0.054 8.230 8.150 0.043 0.000 0.410 161 A N -0.203 122.635 122.820 0.030 0.000 1.908 161 A HA -0.185 4.564 4.320 0.022 -0.415 0.218 161 A C -1.135 176.467 177.584 0.030 0.000 1.181 161 A CA 2.389 54.441 52.037 0.025 0.000 0.627 161 A CB 0.445 19.457 19.000 0.021 0.000 0.818 161 A HN 0.786 8.953 8.150 0.029 0.000 0.445 162 D N -7.186 113.236 120.400 0.037 0.000 2.728 162 D HA -0.016 4.650 4.640 0.043 0.000 0.249 162 D C -1.892 174.440 176.300 0.054 0.000 1.225 162 D CA -0.957 53.069 54.000 0.042 0.000 0.748 162 D CB 1.104 41.925 40.800 0.035 0.000 1.326 162 D HN -0.611 7.779 8.370 0.038 0.003 0.426 163 L N -0.060 121.202 121.223 0.066 0.000 2.365 163 L HA 0.280 4.668 4.340 0.080 0.000 0.273 163 L C -0.038 176.900 176.870 0.113 0.000 1.000 163 L CA -1.132 53.761 54.840 0.087 0.000 0.819 163 L CB 3.095 45.210 42.059 0.093 0.000 1.284 163 L HN 0.119 8.386 8.230 0.062 0.000 0.418 164 T N -0.750 113.872 114.554 0.113 0.000 2.922 164 T HA 0.465 4.870 4.350 0.092 0.000 0.285 164 T C -0.412 174.394 174.700 0.176 0.000 1.005 164 T CA -2.918 59.249 62.100 0.112 0.000 1.061 164 T CB 0.766 69.679 68.868 0.075 0.000 1.007 164 T HN -0.292 8.179 8.240 0.102 -0.169 0.502 165 P HA -0.286 4.221 4.420 0.146 0.000 0.222 165 P C 1.494 179.035 177.300 0.401 0.000 1.157 165 P CA 2.790 65.973 63.100 0.138 0.000 0.905 165 P CB 0.070 31.695 31.700 -0.125 0.000 0.792 166 S N -2.050 113.895 115.700 0.410 0.000 2.365 166 S HA -0.406 4.316 4.470 0.419 0.000 0.221 166 S C 2.102 176.827 174.600 0.208 0.000 1.037 166 S CA 4.263 62.685 58.200 0.370 0.000 1.060 166 S CB -0.649 62.732 63.200 0.301 0.000 0.974 166 S HN 0.247 8.731 8.310 0.304 0.009 0.427 167 E N 0.166 120.471 120.200 0.175 0.000 2.097 167 E HA -0.429 3.983 4.350 0.104 0.000 0.196 167 E C 2.273 178.969 176.600 0.160 0.000 1.000 167 E CA 2.966 59.447 56.400 0.135 0.000 0.804 167 E CB -0.322 29.450 29.700 0.119 0.000 0.740 167 E HN -0.329 8.135 8.360 0.174 0.000 0.454 168 T N -2.469 112.219 114.554 0.223 0.000 2.951 168 T HA -0.202 4.258 4.350 0.184 0.000 0.268 168 T C 1.215 176.136 174.700 0.368 0.000 1.073 168 T CA 2.809 65.067 62.100 0.264 0.000 1.134 168 T CB -0.326 68.719 68.868 0.295 0.000 0.884 168 T HN -0.379 7.932 8.240 0.249 0.079 0.479 169 A N 1.845 124.866 122.820 0.337 0.000 2.016 169 A HA -0.156 4.463 4.320 0.498 0.000 0.217 169 A C 1.022 178.636 177.584 0.049 0.000 1.162 169 A CA 2.090 54.282 52.037 0.259 0.000 0.662 169 A CB 0.240 19.262 19.000 0.037 0.000 0.812 169 A HN 0.350 8.438 8.150 0.308 0.247 0.450 170 Q N -6.360 113.464 119.800 0.040 0.000 2.281 170 Q HA 0.031 4.344 4.340 -0.044 0.000 0.215 170 Q C -0.018 175.990 176.000 0.013 0.000 0.867 170 Q CA -0.684 55.114 55.803 -0.007 0.000 0.940 170 Q CB 1.359 30.091 28.738 -0.009 0.000 1.111 170 Q HN -0.433 7.758 8.270 0.087 0.131 0.513 171 L N 0.766 122.020 121.223 0.052 0.000 2.499 171 L HA -0.185 4.195 4.340 0.066 0.000 0.281 171 L C -0.929 175.960 176.870 0.032 0.000 1.234 171 L CA 0.743 55.624 54.840 0.068 0.000 0.839 171 L CB 0.641 42.776 42.059 0.126 0.000 1.104 171 L HN -0.648 7.476 8.230 0.087 0.158 0.500 172 N N 2.155 120.882 118.700 0.044 0.000 2.426 172 N HA 0.053 4.784 4.740 -0.015 0.000 0.257 172 N C -0.596 174.942 175.510 0.046 0.000 1.002 172 N CA -0.353 52.708 53.050 0.017 0.000 0.942 172 N CB 1.043 39.535 38.487 0.009 0.000 1.112 172 N HN 0.364 8.780 8.380 0.061 0.000 0.499 173 L N 2.717 123.955 121.223 0.025 0.000 2.737 173 L HA 0.145 4.569 4.340 0.140 0.000 0.236 173 L C 0.270 177.155 176.870 0.026 0.000 1.219 173 L CA 0.506 55.386 54.840 0.067 0.000 1.021 173 L CB -0.898 41.186 42.059 0.042 0.000 1.291 173 L HN 0.543 8.760 8.230 -0.023 0.000 0.470 174 K N -2.473 117.931 120.400 0.007 0.000 2.464 174 K HA 0.075 4.393 4.320 -0.002 0.000 0.206 174 K C 0.166 176.760 176.600 -0.009 0.000 1.186 174 K CA 0.653 56.937 56.287 -0.004 0.000 0.990 174 K CB 0.934 33.428 32.500 -0.011 0.000 1.003 174 K HN -0.051 8.107 8.250 0.008 0.097 0.562 175 K N -2.433 117.962 120.400 -0.010 0.000 2.450 175 K HA 0.191 4.500 4.320 -0.019 0.000 0.206 175 K C -1.471 175.108 176.600 -0.035 0.000 1.148 175 K CA -0.290 55.987 56.287 -0.017 0.000 1.014 175 K CB 1.813 34.307 32.500 -0.010 0.000 0.966 175 K HN -0.398 7.851 8.250 -0.001 0.000 0.566 176 V N 0.417 120.305 119.914 -0.042 0.000 2.881 176 V HA -0.177 3.884 4.120 -0.097 0.000 0.303 176 V C -0.193 175.794 176.094 -0.178 0.000 1.070 176 V CA 1.216 63.450 62.300 -0.110 0.000 1.074 176 V CB 0.772 32.534 31.823 -0.102 0.000 1.012 176 V HN -0.797 7.383 8.190 -0.016 0.000 0.482 177 L N 2.880 123.958 121.223 -0.241 0.000 2.817 177 L HA 0.288 4.528 4.340 -0.166 0.000 0.248 177 L C -0.869 175.794 176.870 -0.346 0.000 1.133 177 L CA -0.514 54.195 54.840 -0.219 0.000 0.935 177 L CB 1.893 43.870 42.059 -0.137 0.000 1.266 177 L HN -0.003 8.079 8.230 -0.247 0.000 0.535 178 G N -3.768 104.672 108.800 -0.599 0.000 2.316 178 G HA2 0.019 3.427 3.960 -0.920 0.000 0.296 178 G HA3 0.019 3.733 3.960 -0.409 0.000 0.296 178 G C -2.503 171.814 174.900 -0.971 0.000 1.399 178 G CA 0.576 45.220 45.100 -0.762 0.000 0.833 178 G HN -0.829 7.088 8.290 -0.622 0.000 0.565 179 F N -1.726 118.215 119.950 -0.014 0.000 2.507 179 F HA 0.373 4.896 4.527 -0.007 0.000 0.328 179 F C -1.683 174.108 175.800 -0.015 0.000 1.136 179 F CA -1.082 56.912 58.000 -0.010 0.000 0.930 179 F CB 3.074 42.071 39.000 -0.005 0.000 1.166 179 F HN -0.450 7.728 8.300 -0.203 0.000 0.436 180 I N 3.727 124.371 120.570 0.123 0.000 2.439 180 I HA 0.517 4.878 4.170 0.067 -0.151 0.285 180 I C -1.271 174.884 176.117 0.064 0.000 1.021 180 I CA -0.994 60.345 61.300 0.065 0.000 1.091 180 I CB 2.348 40.356 38.000 0.013 0.000 1.242 180 I HN 0.824 9.102 8.210 0.114 0.000 0.439 181 T N 2.608 117.196 114.554 0.056 0.000 2.900 181 T HA 0.735 5.311 4.350 0.041 -0.201 0.303 181 T C -0.489 174.228 174.700 0.027 0.000 1.142 181 T CA -2.014 60.113 62.100 0.044 0.000 1.007 181 T CB 3.546 72.445 68.868 0.051 0.000 1.156 181 T HN -0.080 8.192 8.240 0.054 0.000 0.490 182 D N 1.419 121.832 120.400 0.021 0.000 3.134 182 D HA 0.229 5.117 4.640 0.010 -0.241 0.248 182 D C -1.061 175.247 176.300 0.014 0.000 1.273 182 D CA -0.891 53.117 54.000 0.013 0.000 0.904 182 D CB -1.499 39.307 40.800 0.010 0.000 1.089 182 D HN -0.122 8.262 8.370 0.024 0.000 0.478 183 A N -1.095 121.734 122.820 0.016 0.000 2.288 183 A HA 0.257 4.585 4.320 0.014 0.000 0.320 183 A C -0.175 177.415 177.584 0.011 0.000 1.217 183 A CA -1.566 50.480 52.037 0.015 0.000 0.840 183 A CB 1.035 20.047 19.000 0.020 0.000 1.179 183 A HN -0.513 7.566 8.150 0.019 0.082 0.504 184 G N 0.153 108.959 108.800 0.009 0.000 2.817 184 G HA2 -0.403 3.559 3.960 0.005 0.000 0.226 184 G HA3 -0.403 3.560 3.960 0.006 0.000 0.226 184 G C 0.249 175.153 174.900 0.006 0.000 1.115 184 G CA 1.962 47.065 45.100 0.006 0.000 0.750 184 G HN 0.682 8.978 8.290 0.009 0.000 0.637 185 G N -0.993 107.811 108.800 0.007 0.000 2.284 185 G HA2 -0.403 3.559 3.960 0.003 0.000 0.247 185 G HA3 -0.403 3.559 3.960 0.003 0.000 0.247 185 G C 1.659 176.560 174.900 0.002 0.000 1.012 185 G CA 0.330 45.432 45.100 0.004 0.000 0.618 185 G HN -0.068 8.207 8.290 0.009 0.020 0.521 186 R N -0.063 120.439 120.500 0.003 0.000 2.112 186 R HA -0.288 4.052 4.340 0.001 0.000 0.242 186 R C -0.941 175.360 176.300 0.002 0.000 1.137 186 R CA 2.642 58.744 56.100 0.002 0.000 0.944 186 R CB 0.282 30.584 30.300 0.003 0.000 0.857 186 R HN -0.054 8.137 8.270 0.004 0.082 0.435 187 T N -10.167 104.390 114.554 0.006 0.000 3.697 187 T HA 0.118 4.471 4.350 0.004 0.000 0.260 187 T C -1.356 173.355 174.700 0.018 0.000 0.998 187 T CA -2.086 60.020 62.100 0.009 0.000 1.128 187 T CB -0.745 68.129 68.868 0.010 0.000 1.082 187 T HN -0.459 7.786 8.240 0.008 0.000 0.541 188 S N 2.024 117.732 115.700 0.014 0.000 2.505 188 S HA -0.046 4.449 4.470 0.041 0.000 0.276 188 S C 1.064 175.683 174.600 0.032 0.000 1.274 188 S CA -0.828 57.388 58.200 0.026 0.000 1.053 188 S CB 1.389 64.596 63.200 0.012 0.000 0.919 188 S HN -0.804 7.402 8.310 0.005 0.107 0.490 189 H N 8.811 127.852 119.070 -0.049 0.000 2.394 189 H HA -0.357 4.144 4.556 -0.092 0.000 0.297 189 H C 1.365 176.633 175.328 -0.101 0.000 1.113 189 H CA 3.424 59.424 56.048 -0.079 0.000 1.277 189 H CB -0.120 29.601 29.762 -0.068 0.000 1.370 189 H HN 0.800 9.169 8.280 0.149 0.000 0.506 190 T N -1.406 113.043 114.554 -0.175 0.000 2.595 190 T HA -0.418 3.691 4.350 -0.402 0.000 0.264 190 T C 2.264 176.815 174.700 -0.248 0.000 1.058 190 T CA 3.964 65.908 62.100 -0.260 0.000 1.166 190 T CB -1.111 67.695 68.868 -0.103 0.000 0.863 190 T HN -0.675 7.528 8.240 -0.025 0.021 0.415 191 S N 2.549 118.173 115.700 -0.127 0.000 2.372 191 S HA -0.344 4.088 4.470 -0.063 0.000 0.227 191 S C 2.275 176.804 174.600 -0.118 0.000 1.044 191 S CA 3.038 61.186 58.200 -0.087 0.000 1.050 191 S CB -0.532 62.643 63.200 -0.041 0.000 0.901 191 S HN -0.689 7.572 8.310 -0.081 0.000 0.447 192 I N -0.191 120.294 120.570 -0.141 0.000 2.335 192 I HA -0.484 3.636 4.170 -0.084 0.000 0.251 192 I C 1.779 177.781 176.117 -0.193 0.000 1.129 192 I CA 3.762 64.980 61.300 -0.138 0.000 1.402 192 I CB -0.641 37.294 38.000 -0.109 0.000 1.069 192 I HN -0.570 7.561 8.210 -0.130 0.000 0.424 193 M N -0.627 118.785 119.600 -0.313 0.000 2.081 193 M HA -0.371 3.993 4.480 -0.192 0.000 0.261 193 M C 1.804 178.001 176.300 -0.172 0.000 1.075 193 M CA 4.147 59.275 55.300 -0.287 0.000 1.133 193 M CB -0.196 32.111 32.600 -0.488 0.000 1.330 193 M HN 0.083 7.993 8.290 -0.386 0.149 0.414 194 A N -1.477 121.229 122.820 -0.190 0.000 1.978 194 A HA -0.326 4.046 4.320 0.087 0.000 0.220 194 A C 1.441 179.034 177.584 0.016 0.000 1.170 194 A CA 2.702 54.733 52.037 -0.009 0.000 0.636 194 A CB -0.611 18.416 19.000 0.045 0.000 0.810 194 A HN -0.249 7.738 8.150 -0.272 0.000 0.448 195 R N -3.702 116.785 120.500 -0.021 0.000 2.055 195 R HA -0.180 4.166 4.340 0.011 0.000 0.226 195 R C 3.355 179.660 176.300 0.007 0.000 1.135 195 R CA 2.587 58.684 56.100 -0.003 0.000 0.959 195 R CB 0.427 30.716 30.300 -0.018 0.000 0.854 195 R HN 0.194 8.212 8.270 -0.060 0.216 0.431 196 S N 1.547 117.247 115.700 -0.001 0.000 2.399 196 S HA -0.238 4.244 4.470 0.020 0.000 0.231 196 S C 1.311 175.941 174.600 0.049 0.000 1.022 196 S CA 3.393 61.606 58.200 0.023 0.000 0.983 196 S CB 0.066 63.281 63.200 0.024 0.000 0.803 196 S HN -0.193 8.100 8.310 -0.028 0.000 0.480 197 L N -2.789 118.470 121.223 0.060 0.000 2.591 197 L HA 0.037 4.425 4.340 0.080 0.000 0.228 197 L C -0.899 176.019 176.870 0.080 0.000 1.133 197 L CA 0.049 54.940 54.840 0.085 0.000 0.880 197 L CB -0.196 41.937 42.059 0.123 0.000 1.033 197 L HN -0.276 7.966 8.230 0.042 0.013 0.450 198 E N -6.475 113.762 120.200 0.062 0.000 3.313 198 E HA -0.469 3.926 4.350 0.045 -0.017 0.283 198 E C -0.790 175.854 176.600 0.073 0.000 0.941 198 E CA 1.212 57.645 56.400 0.055 0.000 0.907 198 E CB -1.888 27.839 29.700 0.044 0.000 1.458 198 E HN -0.495 7.675 8.360 0.050 0.220 0.463 199 L N -2.833 118.458 121.223 0.114 0.000 2.474 199 L HA -0.056 4.334 4.340 0.084 0.000 0.259 199 L C -2.157 174.780 176.870 0.112 0.000 1.232 199 L CA -1.045 53.873 54.840 0.129 0.000 0.821 199 L CB 0.061 42.267 42.059 0.244 0.000 1.108 199 L HN -0.801 7.405 8.230 0.131 0.102 0.495 200 P HA 0.090 4.582 4.420 0.046 -0.044 0.290 200 P C -2.154 175.186 177.300 0.067 0.000 1.276 200 P CA -0.769 62.356 63.100 0.042 0.000 0.808 200 P CB 0.763 32.459 31.700 -0.006 0.000 0.966 201 A N 0.706 123.571 122.820 0.075 0.000 2.564 201 A HA 0.436 4.800 4.320 0.074 0.000 0.291 201 A C -2.431 175.188 177.584 0.058 0.000 1.102 201 A CA -0.503 51.596 52.037 0.103 0.000 0.660 201 A CB 3.367 22.507 19.000 0.233 0.000 1.283 201 A HN -0.355 7.900 8.150 0.055 -0.072 0.430 202 I N -3.511 117.093 120.570 0.057 0.000 2.994 202 I HA 0.345 4.529 4.170 0.023 0.000 0.306 202 I C -1.134 175.004 176.117 0.035 0.000 1.195 202 I CA -0.450 60.867 61.300 0.029 0.000 1.001 202 I CB 3.693 41.698 38.000 0.008 0.000 1.244 202 I HN -0.038 8.220 8.210 0.081 0.000 0.437 203 V N -1.934 117.992 119.914 0.021 0.000 3.245 203 V HA 0.289 4.563 4.120 0.028 -0.137 0.246 203 V C 0.402 176.503 176.094 0.012 0.000 1.487 203 V CA 0.810 63.122 62.300 0.019 0.000 1.154 203 V CB 1.085 32.916 31.823 0.014 0.000 0.971 203 V HN 0.240 8.437 8.190 0.013 0.000 0.443 204 G N -0.629 108.174 108.800 0.006 0.000 3.474 204 G HA2 0.034 3.996 3.960 0.003 0.000 0.269 204 G HA3 0.034 3.993 3.960 -0.001 0.000 0.269 204 G C 0.926 175.824 174.900 -0.003 0.000 1.339 204 G CA -0.412 44.689 45.100 0.001 0.000 1.258 204 G HN -0.062 8.232 8.290 0.005 0.000 0.560 205 T N -1.208 113.346 114.554 -0.001 0.000 2.915 205 T HA -0.349 3.993 4.350 -0.014 0.000 0.269 205 T C 1.151 175.847 174.700 -0.007 0.000 1.071 205 T CA 2.047 64.143 62.100 -0.007 0.000 1.132 205 T CB 0.038 68.904 68.868 -0.004 0.000 0.878 205 T HN -0.801 7.338 8.240 0.005 0.104 0.479 206 G N 1.871 110.670 108.800 -0.002 0.000 3.274 206 G HA2 -0.444 3.517 3.960 0.001 0.000 0.313 206 G HA3 -0.444 3.514 3.960 -0.004 0.000 0.313 206 G C -0.308 174.592 174.900 -0.000 0.000 1.295 206 G CA 1.317 46.416 45.100 -0.001 0.000 1.004 206 G HN -0.180 8.081 8.290 0.002 0.030 0.614 207 S N 3.609 119.307 115.700 -0.003 0.000 2.506 207 S HA 0.159 4.630 4.470 0.001 0.000 0.245 207 S C 0.482 175.080 174.600 -0.003 0.000 1.088 207 S CA -1.481 56.718 58.200 -0.002 0.000 1.099 207 S CB 0.398 63.596 63.200 -0.002 0.000 0.805 207 S HN -0.231 8.075 8.310 -0.006 0.000 0.461 208 V N 2.963 122.875 119.914 -0.004 0.000 2.667 208 V HA -0.274 3.841 4.120 -0.008 0.000 0.252 208 V C 0.758 176.852 176.094 0.001 0.000 1.065 208 V CA 2.838 65.135 62.300 -0.005 0.000 1.083 208 V CB 0.079 31.897 31.823 -0.008 0.000 0.692 208 V HN -0.004 8.127 8.190 -0.003 0.057 0.468 209 T N -4.363 110.194 114.554 0.005 0.000 3.051 209 T HA -0.248 4.107 4.350 0.009 0.000 0.269 209 T C 0.706 175.410 174.700 0.008 0.000 1.127 209 T CA 2.352 64.457 62.100 0.008 0.000 1.107 209 T CB -0.698 68.177 68.868 0.011 0.000 0.898 209 T HN -0.266 7.959 8.240 0.005 0.018 0.517 210 S N -2.055 113.648 115.700 0.005 0.000 2.568 210 S HA 0.118 4.592 4.470 0.007 0.000 0.232 210 S C -0.447 174.156 174.600 0.005 0.000 0.975 210 S CA -0.171 58.032 58.200 0.005 0.000 0.949 210 S CB 0.425 63.627 63.200 0.004 0.000 0.829 210 S HN -0.627 7.488 8.310 0.004 0.197 0.479 211 Q N -1.695 118.108 119.800 0.005 0.000 2.143 211 Q HA 0.142 4.486 4.340 0.006 0.000 0.242 211 Q C -0.251 175.755 176.000 0.010 0.000 0.790 211 Q CA -0.062 55.744 55.803 0.005 0.000 0.954 211 Q CB 2.905 31.642 28.738 -0.001 0.000 1.155 211 Q HN -0.099 7.972 8.270 0.004 0.202 0.474 212 V N 0.181 120.101 119.914 0.010 0.000 2.769 212 V HA 0.051 4.183 4.120 0.019 0.000 0.312 212 V C -1.301 174.802 176.094 0.015 0.000 1.061 212 V CA -1.504 60.804 62.300 0.014 0.000 0.931 212 V CB 2.664 34.493 31.823 0.009 0.000 1.010 212 V HN -0.224 7.970 8.190 0.008 0.000 0.433 213 K N 3.077 123.489 120.400 0.019 0.000 2.303 213 K HA 0.393 4.723 4.320 0.016 0.000 0.233 213 K C -0.593 176.018 176.600 0.018 0.000 1.046 213 K CA -3.674 52.624 56.287 0.019 0.000 0.895 213 K CB 1.685 34.198 32.500 0.022 0.000 1.220 213 K HN -0.122 8.393 8.250 0.024 -0.251 0.470 214 N N -0.197 118.514 118.700 0.018 0.000 2.424 214 N HA -0.167 4.697 4.740 0.011 -0.117 0.257 214 N C -0.022 175.501 175.510 0.022 0.000 1.250 214 N CA 0.234 53.294 53.050 0.016 0.000 0.946 214 N CB 0.208 38.704 38.487 0.014 0.000 1.175 214 N HN -0.137 8.254 8.380 0.017 0.000 0.477 215 D N -4.063 116.350 120.400 0.021 0.000 2.705 215 D HA -0.477 4.182 4.640 0.032 0.000 0.187 215 D C -1.104 175.230 176.300 0.057 0.000 1.015 215 D CA 3.002 57.024 54.000 0.036 0.000 1.030 215 D CB 0.027 40.850 40.800 0.038 0.000 1.100 215 D HN 0.936 9.205 8.370 0.012 0.108 0.439 216 D N -1.315 119.114 120.400 0.050 0.000 2.472 216 D HA -0.084 4.614 4.640 0.096 0.000 0.237 216 D C -0.357 176.002 176.300 0.099 0.000 1.141 216 D CA 1.057 55.103 54.000 0.077 0.000 0.875 216 D CB 0.980 41.812 40.800 0.054 0.000 1.192 216 D HN -0.594 7.668 8.370 0.034 0.128 0.450 217 Y N 3.268 123.588 120.300 0.033 0.000 2.404 217 Y HA -0.084 4.493 4.550 0.045 0.000 0.344 217 Y C -1.695 174.238 175.900 0.055 0.000 0.995 217 Y CA 1.003 59.130 58.100 0.045 0.000 1.201 217 Y CB 0.508 38.996 38.460 0.047 0.000 1.151 217 Y HN 0.266 8.698 8.280 0.254 0.000 0.517 218 L N 5.237 126.338 121.223 -0.203 0.000 2.279 218 L HA 0.912 5.474 4.340 0.102 -0.160 0.262 218 L C -1.130 175.671 176.870 -0.114 0.000 1.019 218 L CA -2.184 52.626 54.840 -0.049 0.000 0.823 218 L CB 4.317 46.341 42.059 -0.059 0.000 1.358 218 L HN -0.228 7.733 8.230 -0.449 0.000 0.432 219 I N -2.192 118.379 120.570 0.001 0.000 2.534 219 I HA 0.337 4.497 4.170 -0.218 -0.120 0.286 219 I C -1.811 174.258 176.117 -0.080 0.000 1.094 219 I CA -0.894 60.356 61.300 -0.083 0.000 1.055 219 I CB 3.129 41.146 38.000 0.028 0.000 1.225 219 I HN -0.276 7.975 8.210 0.068 0.000 0.435 220 L N 7.235 128.340 121.223 -0.197 0.000 2.290 220 L HA 0.254 4.556 4.340 -0.063 0.000 0.284 220 L C -1.587 175.202 176.870 -0.136 0.000 1.078 220 L CA -0.145 54.618 54.840 -0.129 0.000 0.815 220 L CB 1.832 43.804 42.059 -0.144 0.000 1.162 220 L HN 0.166 8.219 8.230 -0.295 0.000 0.435 221 D N 7.963 128.343 120.400 -0.033 0.000 2.323 221 D HA 0.018 4.622 4.640 -0.060 0.000 0.218 221 D C 0.234 176.520 176.300 -0.023 0.000 0.973 221 D CA 1.302 55.297 54.000 -0.008 0.000 0.890 221 D CB 0.825 41.697 40.800 0.119 0.000 1.011 221 D HN -0.114 8.254 8.370 -0.003 0.000 0.499 222 A N -3.653 119.154 122.820 -0.021 0.000 2.739 222 A HA -0.409 3.903 4.320 -0.013 0.000 0.295 222 A C -1.085 176.496 177.584 -0.004 0.000 1.477 222 A CA 1.646 53.673 52.037 -0.016 0.000 0.931 222 A CB -1.242 17.744 19.000 -0.023 0.000 0.959 222 A HN 0.251 8.387 8.150 -0.022 0.000 0.555 223 V N -3.680 116.238 119.914 0.006 0.000 2.948 223 V HA -0.119 4.007 4.120 0.010 0.000 0.234 223 V C 1.040 177.145 176.094 0.019 0.000 1.205 223 V CA 1.906 64.215 62.300 0.014 0.000 1.234 223 V CB 0.590 32.424 31.823 0.019 0.000 1.020 223 V HN -0.098 8.024 8.190 0.013 0.076 0.491 224 N N 0.072 118.790 118.700 0.030 0.000 2.314 224 N HA 0.025 4.778 4.740 0.021 0.000 0.200 224 N C -1.088 174.424 175.510 0.004 0.000 1.135 224 N CA -0.345 52.721 53.050 0.027 0.000 0.835 224 N CB 0.111 38.631 38.487 0.055 0.000 0.989 224 N HN -0.080 8.327 8.380 0.044 0.000 0.478 225 N N -3.892 114.807 118.700 -0.002 0.000 2.671 225 N HA -0.323 4.407 4.740 -0.017 0.000 0.261 225 N C -2.340 173.143 175.510 -0.045 0.000 1.053 225 N CA 1.384 54.423 53.050 -0.019 0.000 0.732 225 N CB -0.806 37.672 38.487 -0.015 0.000 0.887 225 N HN 0.045 8.425 8.380 0.005 0.002 0.546 226 Q N -2.296 117.467 119.800 -0.061 0.000 2.391 226 Q HA 0.293 4.696 4.340 -0.150 -0.153 0.279 226 Q C -2.772 173.114 176.000 -0.189 0.000 1.028 226 Q CA -1.036 54.674 55.803 -0.155 0.000 0.836 226 Q CB 4.045 32.655 28.738 -0.213 0.000 1.414 226 Q HN -0.226 8.025 8.270 -0.032 0.000 0.397 227 V N 3.022 122.787 119.914 -0.249 0.000 2.513 227 V HA 0.384 4.595 4.120 -0.060 -0.127 0.299 227 V C -0.539 175.376 176.094 -0.298 0.000 1.035 227 V CA -2.284 59.916 62.300 -0.167 0.000 0.889 227 V CB 1.138 32.906 31.823 -0.090 0.000 0.988 227 V HN 0.263 8.301 8.190 -0.252 0.000 0.440 228 Y N 5.432 125.725 120.300 -0.011 0.000 2.331 228 Y HA -0.012 4.548 4.550 0.017 0.000 0.338 228 Y C -1.129 174.793 175.900 0.038 0.000 0.976 228 Y CA -0.690 57.420 58.100 0.018 0.000 1.137 228 Y CB 1.499 39.978 38.460 0.032 0.000 1.172 228 Y HN -0.086 8.323 8.280 0.216 0.000 0.478 229 V N 3.773 123.777 119.914 0.149 0.000 2.370 229 V HA 0.023 4.220 4.120 0.128 0.000 0.279 229 V C -0.274 175.908 176.094 0.147 0.000 1.029 229 V CA -1.253 61.121 62.300 0.123 0.000 0.870 229 V CB 0.369 32.229 31.823 0.063 0.000 0.984 229 V HN 0.258 8.512 8.190 0.107 0.000 0.451 230 N N 6.473 125.280 118.700 0.177 0.000 2.608 230 N HA -0.273 4.564 4.740 0.162 0.000 0.273 230 N C -2.389 173.194 175.510 0.123 0.000 1.133 230 N CA 0.316 53.452 53.050 0.143 0.000 0.726 230 N CB -0.319 38.223 38.487 0.092 0.000 0.890 230 N HN -0.077 8.431 8.380 0.213 0.000 0.548 231 P HA 0.189 4.677 4.420 0.112 0.000 0.284 231 P C -0.752 176.565 177.300 0.028 0.000 1.258 231 P CA -0.629 62.530 63.100 0.098 0.000 0.824 231 P CB 0.952 32.715 31.700 0.104 0.000 1.038 232 T N -1.497 113.064 114.554 0.012 0.000 2.860 232 T HA -0.033 4.304 4.350 -0.020 0.000 0.299 232 T C 1.100 175.781 174.700 -0.031 0.000 1.045 232 T CA -1.435 60.657 62.100 -0.013 0.000 1.071 232 T CB 1.322 70.186 68.868 -0.006 0.000 0.985 232 T HN -0.105 8.149 8.240 0.023 0.000 0.537 233 N N 2.926 121.599 118.700 -0.044 0.000 2.094 233 N HA -0.398 4.305 4.740 -0.061 0.000 0.191 233 N C 1.967 177.456 175.510 -0.036 0.000 1.023 233 N CA 3.427 56.447 53.050 -0.050 0.000 0.857 233 N CB -0.659 37.796 38.487 -0.053 0.000 1.013 233 N HN 0.483 8.836 8.380 -0.044 0.000 0.426 234 E N -1.379 118.803 120.200 -0.029 0.000 2.114 234 E HA -0.305 4.031 4.350 -0.024 0.000 0.199 234 E C 2.392 178.973 176.600 -0.031 0.000 1.008 234 E CA 3.111 59.496 56.400 -0.025 0.000 0.810 234 E CB -0.470 29.218 29.700 -0.019 0.000 0.739 234 E HN 0.494 8.831 8.360 -0.028 0.006 0.456 235 V N -0.616 119.274 119.914 -0.040 0.000 2.488 235 V HA -0.311 3.766 4.120 -0.071 0.000 0.246 235 V C 1.743 177.805 176.094 -0.053 0.000 1.046 235 V CA 3.387 65.644 62.300 -0.071 0.000 1.053 235 V CB -0.104 31.650 31.823 -0.116 0.000 0.679 235 V HN -0.504 7.562 8.190 -0.034 0.103 0.458 236 I N 1.629 122.187 120.570 -0.020 0.000 2.110 236 I HA -0.614 3.608 4.170 0.086 0.000 0.236 236 I C 1.404 177.527 176.117 0.010 0.000 1.068 236 I CA 4.899 66.217 61.300 0.031 0.000 1.333 236 I CB -0.563 37.451 38.000 0.023 0.000 1.054 236 I HN -0.218 7.892 8.210 -0.026 0.085 0.402 237 D N -0.575 119.814 120.400 -0.019 0.000 2.133 237 D HA -0.398 4.221 4.640 -0.035 0.000 0.195 237 D C 2.441 178.732 176.300 -0.015 0.000 0.997 237 D CA 4.068 58.053 54.000 -0.026 0.000 0.840 237 D CB -0.200 40.582 40.800 -0.030 0.000 0.947 237 D HN 0.211 8.462 8.370 -0.026 0.103 0.452 238 K N -1.352 119.039 120.400 -0.015 0.000 2.097 238 K HA -0.267 4.047 4.320 -0.011 0.000 0.206 238 K C 2.461 179.060 176.600 -0.002 0.000 1.049 238 K CA 2.871 59.151 56.287 -0.012 0.000 0.933 238 K CB -0.021 32.466 32.500 -0.021 0.000 0.717 238 K HN -0.622 7.610 8.250 -0.020 0.006 0.442 239 M N -1.006 118.599 119.600 0.007 0.000 2.248 239 M HA -0.282 4.212 4.480 0.022 0.000 0.265 239 M C 2.367 178.715 176.300 0.080 0.000 1.079 239 M CA 3.516 58.840 55.300 0.040 0.000 1.150 239 M CB 0.233 32.862 32.600 0.049 0.000 1.366 239 M HN -0.317 7.879 8.290 0.001 0.094 0.433 240 R N -1.476 119.066 120.500 0.070 0.000 2.140 240 R HA -0.395 3.973 4.340 0.046 0.000 0.250 240 R C 2.469 178.778 176.300 0.014 0.000 1.150 240 R CA 3.418 59.529 56.100 0.019 0.000 0.966 240 R CB -0.847 29.413 30.300 -0.067 0.000 0.869 240 R HN 0.737 8.922 8.270 0.057 0.119 0.445 241 A N -1.695 121.130 122.820 0.008 0.000 1.832 241 A HA -0.195 4.124 4.320 -0.002 0.000 0.214 241 A C 1.677 179.273 177.584 0.019 0.000 1.204 241 A CA 2.739 54.779 52.037 0.005 0.000 0.606 241 A CB -0.419 18.580 19.000 -0.002 0.000 0.849 241 A HN -0.705 7.440 8.150 0.005 0.007 0.445 242 V N -0.072 119.854 119.914 0.021 0.000 2.231 242 V HA -0.519 3.612 4.120 0.019 0.000 0.248 242 V C 2.020 178.138 176.094 0.040 0.000 1.054 242 V CA 4.409 66.723 62.300 0.024 0.000 1.015 242 V CB -0.559 31.275 31.823 0.019 0.000 0.638 242 V HN -0.689 7.511 8.190 0.016 0.000 0.444 243 Q N -1.257 118.580 119.800 0.062 0.000 2.012 243 Q HA -0.429 3.954 4.340 0.072 0.000 0.211 243 Q C 2.826 178.879 176.000 0.087 0.000 1.009 243 Q CA 3.449 59.309 55.803 0.094 0.000 0.866 243 Q CB -0.505 28.346 28.738 0.189 0.000 0.945 243 Q HN 0.516 8.707 8.270 0.062 0.116 0.414 244 E N -1.445 118.807 120.200 0.085 0.000 2.267 244 E HA -0.317 4.077 4.350 0.075 0.000 0.197 244 E C 2.029 178.651 176.600 0.038 0.000 0.998 244 E CA 2.380 58.815 56.400 0.059 0.000 0.830 244 E CB -0.627 29.091 29.700 0.029 0.000 0.751 244 E HN -0.423 7.990 8.360 0.088 0.000 0.491 245 Q N -0.694 119.126 119.800 0.033 0.000 2.224 245 Q HA -0.247 4.104 4.340 0.018 0.000 0.203 245 Q C 2.313 178.328 176.000 0.025 0.000 0.970 245 Q CA 2.886 58.703 55.803 0.023 0.000 0.865 245 Q CB -0.200 28.549 28.738 0.019 0.000 0.922 245 Q HN -0.181 7.931 8.270 0.037 0.180 0.445 246 V N 0.932 120.865 119.914 0.032 0.000 2.283 246 V HA -0.343 3.791 4.120 0.023 0.000 0.243 246 V C 1.800 177.911 176.094 0.029 0.000 1.039 246 V CA 3.154 65.472 62.300 0.029 0.000 1.016 246 V CB -0.527 31.315 31.823 0.032 0.000 0.650 246 V HN 0.253 8.294 8.190 0.040 0.173 0.449 247 A N -1.326 121.516 122.820 0.037 0.000 1.940 247 A HA -0.369 3.970 4.320 0.031 0.000 0.219 247 A C 2.282 179.881 177.584 0.025 0.000 1.176 247 A CA 3.380 55.438 52.037 0.033 0.000 0.631 247 A CB -1.099 17.927 19.000 0.043 0.000 0.814 247 A HN -0.513 7.665 8.150 0.046 0.000 0.446 248 S N -1.878 113.835 115.700 0.023 0.000 2.395 248 S HA -0.250 4.229 4.470 0.015 0.000 0.225 248 S C 1.985 176.593 174.600 0.015 0.000 1.027 248 S CA 2.925 61.135 58.200 0.016 0.000 0.965 248 S CB 0.067 63.275 63.200 0.013 0.000 0.812 248 S HN -0.025 8.214 8.310 0.026 0.086 0.482 249 E N 0.886 121.096 120.200 0.016 0.000 2.347 249 E HA -0.204 4.306 4.350 0.012 -0.153 0.196 249 E C 1.625 178.233 176.600 0.014 0.000 1.008 249 E CA 1.615 58.023 56.400 0.014 0.000 0.852 249 E CB -0.048 29.660 29.700 0.015 0.000 0.783 249 E HN 0.187 8.334 8.360 0.019 0.224 0.505 250 K N -1.427 118.983 120.400 0.016 0.000 2.137 250 K HA -0.090 4.238 4.320 0.015 0.000 0.202 250 K C 1.803 178.411 176.600 0.014 0.000 1.052 250 K CA 1.866 58.162 56.287 0.016 0.000 0.961 250 K CB 0.502 33.013 32.500 0.019 0.000 0.741 250 K HN 0.214 8.285 8.250 0.018 0.191 0.452 251 A N -0.181 122.647 122.820 0.014 0.000 2.216 251 A HA -0.148 4.179 4.320 0.012 0.000 0.214 251 A C 1.427 179.017 177.584 0.010 0.000 1.160 251 A CA 2.536 54.580 52.037 0.012 0.000 0.725 251 A CB -1.143 17.864 19.000 0.011 0.000 0.784 251 A HN 0.449 8.403 8.150 0.015 0.205 0.472 252 E N -1.810 118.396 120.200 0.010 0.000 2.347 252 E HA -0.217 4.138 4.350 0.008 0.000 0.196 252 E C 0.923 177.528 176.600 0.009 0.000 1.008 252 E CA 1.526 57.931 56.400 0.009 0.000 0.852 252 E CB -0.076 29.629 29.700 0.009 0.000 0.783 252 E HN -0.469 7.768 8.360 0.012 0.129 0.505 253 L N -3.038 118.190 121.223 0.010 0.000 2.240 253 L HA -0.124 4.221 4.340 0.009 0.000 0.211 253 L C 2.155 179.030 176.870 0.009 0.000 1.106 253 L CA 1.853 56.699 54.840 0.009 0.000 0.793 253 L CB -0.059 42.006 42.059 0.010 0.000 0.927 253 L HN 0.343 8.426 8.230 0.011 0.154 0.446 254 A N 0.501 123.326 122.820 0.009 0.000 1.930 254 A HA -0.214 4.111 4.320 0.008 0.000 0.217 254 A C 1.632 179.220 177.584 0.007 0.000 1.175 254 A CA 2.902 54.944 52.037 0.008 0.000 0.627 254 A CB -0.592 18.413 19.000 0.008 0.000 0.815 254 A HN -0.597 7.433 8.150 0.009 0.126 0.443 255 K N -1.618 118.786 120.400 0.007 0.000 2.632 255 K HA -0.151 4.172 4.320 0.005 0.000 0.196 255 K C -0.149 176.455 176.600 0.006 0.000 1.023 255 K CA 0.356 56.646 56.287 0.006 0.000 1.098 255 K CB -1.308 31.196 32.500 0.006 0.000 0.862 255 K HN -0.010 8.034 8.250 0.007 0.211 0.504 256 L N 0.018 121.245 121.223 0.006 0.000 2.933 256 L HA -0.062 4.282 4.340 0.006 0.000 0.258 256 L C -0.557 176.316 176.870 0.005 0.000 1.253 256 L CA 1.285 56.128 54.840 0.006 0.000 1.096 256 L CB -1.821 40.242 42.059 0.006 0.000 1.432 256 L HN 0.146 8.141 8.230 0.007 0.238 0.418 257 K N -1.634 118.769 120.400 0.005 0.000 2.367 257 K HA -0.010 4.313 4.320 0.004 0.000 0.195 257 K C 0.479 177.081 176.600 0.004 0.000 1.060 257 K CA 0.642 56.932 56.287 0.004 0.000 1.022 257 K CB 0.920 33.423 32.500 0.004 0.000 0.894 257 K HN 0.326 8.389 8.250 0.005 0.189 0.540 258 D N -0.532 119.871 120.400 0.004 0.000 2.371 258 D HA -0.142 4.500 4.640 0.003 0.000 0.221 258 D C -0.036 176.266 176.300 0.004 0.000 0.986 258 D CA 1.770 55.772 54.000 0.004 0.000 0.899 258 D CB -0.045 40.757 40.800 0.004 0.000 0.902 258 D HN -0.379 7.993 8.370 0.004 0.000 0.530 259 R N 0.000 120.502 120.500 0.004 0.000 2.786 259 R HA 0.000 4.342 4.340 0.004 0.000 0.208 259 R CA 0.000 56.102 56.100 0.004 0.000 0.921 259 R CB 0.000 30.302 30.300 0.004 0.000 0.687 259 R HN 0.000 8.261 8.270 0.004 0.012 0.535