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 1e3d_1_A DATA FIRST_RESID 5 DATA SEQUENCE SRPSVVYLHA AECTGCSEAL LRTYQPFIDT LILDTISLDY HETIMAAAGE DATA SEQUENCE AAEEALQAAV NGPDGFICLV EGAIPTGMDN KYGYIAGHTM YDICKNILPK DATA SEQUENCE AKAVVSIGTC ACYGGIQAAK PNPTAAKGIN DCYADLGVKA INVPGCPPNP DATA SEQUENCE LNMVGTLVAF LKGQKIELDE VGRPVMFFGQ SVHDLCERRK HFDAGEFAPS DATA SEQUENCE FNSEEARKGW CLYDVGCKGP ETYNNCPKVL FNETNWPVAA GHPCIGCSEP DATA SEQUENCE NFWDDMTPFY QN 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 5 S HA 0.000 4.487 4.470 0.029 0.000 0.327 5 S C 0.000 174.622 174.600 0.036 0.000 1.055 5 S CA 0.000 58.218 58.200 0.031 0.000 1.107 5 S CB 0.000 63.215 63.200 0.025 0.000 0.593 6 R N 2.936 123.461 120.500 0.041 0.000 2.543 6 R HA 0.201 4.568 4.340 0.045 0.000 0.277 6 R C -2.192 174.145 176.300 0.062 0.000 1.074 6 R CA -1.269 54.860 56.100 0.048 0.000 1.076 6 R CB 0.056 30.385 30.300 0.048 0.000 0.993 6 R HN -0.290 8.003 8.270 0.039 0.000 0.459 7 P HA 0.086 4.560 4.420 0.091 0.000 0.268 7 P C -1.568 175.799 177.300 0.111 0.000 1.204 7 P CA -0.293 62.862 63.100 0.093 0.000 0.768 7 P CB 0.776 32.538 31.700 0.102 0.000 0.842 8 S N 3.164 118.944 115.700 0.133 0.000 2.523 8 S HA 0.285 4.989 4.470 0.130 -0.157 0.275 8 S C -0.476 174.243 174.600 0.199 0.000 1.281 8 S CA -0.044 58.249 58.200 0.156 0.000 1.050 8 S CB 0.786 64.087 63.200 0.168 0.000 0.937 8 S HN 0.361 8.751 8.310 0.133 0.000 0.492 9 V N 8.753 128.778 119.914 0.184 0.000 2.531 9 V HA 0.625 5.079 4.120 0.225 -0.198 0.301 9 V C -1.690 174.536 176.094 0.220 0.000 1.034 9 V CA -1.085 61.338 62.300 0.205 0.000 0.865 9 V CB 3.084 35.013 31.823 0.176 0.000 0.995 9 V HN 0.354 8.640 8.190 0.159 0.000 0.424 10 V N 7.115 127.181 119.914 0.254 0.000 2.417 10 V HA 0.199 4.456 4.120 0.229 0.000 0.291 10 V C -2.309 173.931 176.094 0.244 0.000 1.024 10 V CA -1.477 60.951 62.300 0.213 0.000 0.861 10 V CB 1.872 33.712 31.823 0.028 0.000 0.985 10 V HN 0.637 9.014 8.190 0.311 0.000 0.436 11 Y N 9.261 129.653 120.300 0.154 0.000 2.334 11 Y HA 0.633 5.398 4.550 0.011 -0.209 0.336 11 Y C -1.917 173.982 175.900 -0.003 0.000 0.960 11 Y CA -2.505 55.616 58.100 0.034 0.000 1.164 11 Y CB 2.272 40.755 38.460 0.039 0.000 1.155 11 Y HN -0.030 8.505 8.280 0.425 0.000 0.478 12 L N 6.212 127.455 121.223 0.034 0.000 2.325 12 L HA 0.389 4.887 4.340 0.264 0.000 0.278 12 L C -1.758 175.072 176.870 -0.067 0.000 1.023 12 L CA -1.290 53.599 54.840 0.082 0.000 0.811 12 L CB 3.125 45.197 42.059 0.021 0.000 1.249 12 L HN 0.315 8.435 8.230 -0.182 0.000 0.431 13 H N 1.655 120.816 119.070 0.152 0.000 2.539 13 H HA 0.517 5.311 4.556 0.124 -0.163 0.332 13 H C -0.743 174.643 175.328 0.097 0.000 1.031 13 H CA -0.503 55.619 56.048 0.123 0.000 1.206 13 H CB 1.508 31.333 29.762 0.105 0.000 1.446 13 H HN 0.354 8.835 8.280 0.335 0.000 0.496 14 A N 5.361 128.289 122.820 0.181 0.000 3.515 14 A HA 0.252 4.658 4.320 0.143 0.000 0.195 14 A C -1.349 176.316 177.584 0.135 0.000 1.726 14 A CA -1.273 50.849 52.037 0.140 0.000 1.882 14 A CB 2.230 21.295 19.000 0.109 0.000 1.472 14 A HN 0.617 8.860 8.150 0.153 0.000 0.476 15 A N 1.637 124.522 122.820 0.108 0.000 2.391 15 A HA 0.209 4.584 4.320 0.092 0.000 0.316 15 A C -1.766 175.874 177.584 0.093 0.000 1.381 15 A CA -0.369 51.722 52.037 0.090 0.000 0.998 15 A CB -0.701 18.336 19.000 0.063 0.000 1.147 15 A HN -0.155 8.055 8.150 0.101 0.000 0.545 16 E N 1.577 121.843 120.200 0.110 0.000 2.454 16 E HA 0.253 4.673 4.350 0.116 0.000 0.279 16 E C -0.979 175.688 176.600 0.112 0.000 1.029 16 E CA -0.847 55.630 56.400 0.128 0.000 0.831 16 E CB 1.021 30.833 29.700 0.187 0.000 1.405 16 E HN -0.236 8.189 8.360 0.108 0.000 0.463 17 C N -1.863 117.509 119.300 0.119 0.000 3.038 17 C HA 0.626 5.129 4.460 0.072 0.000 0.279 17 C C 0.331 175.384 174.990 0.105 0.000 1.276 17 C CA -0.739 58.336 59.018 0.094 0.000 1.697 17 C CB 0.029 27.819 27.740 0.083 0.000 2.032 17 C HN 0.609 8.921 8.230 0.137 0.000 0.636 18 T N 0.146 114.793 114.554 0.156 0.000 5.658 18 T HA -0.334 4.335 4.350 0.272 -0.155 0.271 18 T C 0.548 175.347 174.700 0.165 0.000 2.170 18 T CA 1.733 63.941 62.100 0.180 0.000 3.657 18 T CB -2.557 66.366 68.868 0.090 0.000 0.929 18 T HN 0.099 8.544 8.240 0.184 -0.095 1.134 19 G N 0.651 109.541 108.800 0.150 0.000 2.442 19 G HA2 -0.361 3.678 3.960 0.130 0.000 0.219 19 G HA3 -0.361 3.666 3.960 0.112 0.000 0.219 19 G C 0.461 175.455 174.900 0.156 0.000 1.141 19 G CA 2.281 47.462 45.100 0.134 0.000 0.763 19 G HN -0.047 8.250 8.290 0.148 0.082 0.554 20 C N -0.505 118.913 119.300 0.196 0.000 2.457 20 C HA -0.174 4.397 4.460 0.185 0.000 0.278 20 C C 1.998 177.142 174.990 0.255 0.000 1.309 20 C CA 2.857 62.005 59.018 0.216 0.000 1.735 20 C CB -1.346 26.526 27.740 0.219 0.000 1.992 20 C HN -0.283 8.296 8.230 0.207 -0.225 0.493 21 S N 0.209 116.081 115.700 0.287 0.000 2.383 21 S HA -0.293 4.310 4.470 0.223 0.000 0.227 21 S C 1.841 176.522 174.600 0.136 0.000 1.026 21 S CA 4.392 62.729 58.200 0.228 0.000 0.981 21 S CB -0.424 62.954 63.200 0.296 0.000 0.818 21 S HN -0.066 8.522 8.310 0.303 -0.096 0.472 22 E N 0.950 121.229 120.200 0.131 0.000 2.047 22 E HA -0.304 4.089 4.350 0.071 0.000 0.191 22 E C 2.164 178.824 176.600 0.100 0.000 0.987 22 E CA 2.637 59.093 56.400 0.092 0.000 0.799 22 E CB -0.124 29.625 29.700 0.081 0.000 0.752 22 E HN -0.661 7.781 8.360 0.150 0.009 0.449 23 A N -0.924 121.970 122.820 0.122 0.000 1.892 23 A HA -0.236 4.163 4.320 0.133 0.000 0.218 23 A C 2.664 180.320 177.584 0.120 0.000 1.188 23 A CA 2.818 54.935 52.037 0.132 0.000 0.631 23 A CB -0.635 18.454 19.000 0.150 0.000 0.822 23 A HN -0.233 7.996 8.150 0.131 0.000 0.447 24 L N -1.177 120.120 121.223 0.123 0.000 2.043 24 L HA -0.312 4.084 4.340 0.094 0.000 0.212 24 L C 1.975 178.889 176.870 0.073 0.000 1.075 24 L CA 2.929 57.830 54.840 0.102 0.000 0.752 24 L CB -0.012 42.125 42.059 0.131 0.000 0.891 24 L HN -0.293 8.024 8.230 0.145 0.000 0.432 25 L N -4.651 116.609 121.223 0.063 0.000 2.362 25 L HA -0.257 4.107 4.340 0.041 0.000 0.219 25 L C 1.035 177.967 176.870 0.104 0.000 1.134 25 L CA 1.788 56.661 54.840 0.056 0.000 0.807 25 L CB -0.712 41.365 42.059 0.029 0.000 0.927 25 L HN -0.607 7.557 8.230 0.066 0.106 0.447 26 R N -4.990 115.583 120.500 0.121 0.000 2.334 26 R HA 0.108 4.551 4.340 0.172 0.000 0.220 26 R C 0.583 177.000 176.300 0.195 0.000 0.917 26 R CA -1.623 54.575 56.100 0.163 0.000 1.073 26 R CB -0.669 29.728 30.300 0.162 0.000 1.056 26 R HN -0.493 7.658 8.270 0.111 0.186 0.506 27 T N 0.263 114.893 114.554 0.127 0.000 2.928 27 T HA -0.141 4.205 4.350 -0.006 0.000 0.305 27 T C -0.200 174.502 174.700 0.002 0.000 1.035 27 T CA 0.590 62.710 62.100 0.033 0.000 1.145 27 T CB 1.185 70.044 68.868 -0.016 0.000 0.963 27 T HN -0.648 7.481 8.240 0.112 0.178 0.545 28 Y N 4.642 124.760 120.300 -0.303 0.000 2.610 28 Y HA 0.210 3.998 4.550 -1.269 0.000 0.254 28 Y C -1.609 173.925 175.900 -0.611 0.000 1.110 28 Y CA -1.417 56.226 58.100 -0.761 0.000 1.238 28 Y CB 0.319 38.395 38.460 -0.641 0.000 1.322 28 Y HN 0.476 8.512 8.280 -0.407 0.000 0.547 29 Q N 0.899 120.344 119.800 -0.593 0.000 3.122 29 Q HA 0.472 4.617 4.340 -0.326 0.000 0.282 29 Q C -2.381 173.478 176.000 -0.235 0.000 0.947 29 Q CA -1.975 53.588 55.803 -0.400 0.000 0.812 29 Q CB -0.090 28.376 28.738 -0.453 0.000 1.333 29 Q HN -0.448 7.474 8.270 -0.581 0.000 0.430 30 P HA 0.307 4.600 4.420 -0.212 0.000 0.310 30 P C -1.592 175.624 177.300 -0.141 0.000 1.309 30 P CA -1.867 61.145 63.100 -0.146 0.000 0.769 30 P CB 1.379 33.071 31.700 -0.014 0.000 1.327 31 F N -4.396 115.577 119.950 0.037 0.000 2.490 31 F HA -0.040 4.752 4.527 0.064 -0.226 0.336 31 F C 2.229 178.044 175.800 0.024 0.000 1.178 31 F CA 0.800 58.828 58.000 0.046 0.000 1.301 31 F CB 0.258 39.288 39.000 0.049 0.000 1.175 31 F HN -0.105 8.249 8.300 0.090 0.000 0.593 32 I N 1.841 122.554 120.570 0.238 0.000 2.361 32 I HA -0.410 3.811 4.170 0.086 0.000 0.251 32 I C 0.226 176.394 176.117 0.086 0.000 1.133 32 I CA 2.676 64.044 61.300 0.113 0.000 1.413 32 I CB -0.023 38.020 38.000 0.072 0.000 1.073 32 I HN 0.712 9.108 8.210 0.310 0.000 0.424 33 D N -2.364 118.094 120.400 0.096 0.000 2.117 33 D HA -0.273 4.387 4.640 0.033 0.000 0.198 33 D C 1.753 178.092 176.300 0.064 0.000 0.982 33 D CA 3.743 57.775 54.000 0.054 0.000 0.828 33 D CB -1.746 39.070 40.800 0.027 0.000 0.967 33 D HN 0.114 8.560 8.370 0.127 0.000 0.464 34 T N 2.752 117.367 114.554 0.101 0.000 2.684 34 T HA -0.287 4.105 4.350 0.070 0.000 0.267 34 T C 1.646 176.384 174.700 0.065 0.000 1.036 34 T CA 4.692 66.844 62.100 0.086 0.000 1.148 34 T CB -0.267 68.670 68.868 0.115 0.000 0.863 34 T HN -0.325 8.000 8.240 0.142 0.000 0.436 35 L N 1.068 122.331 121.223 0.066 0.000 2.012 35 L HA -0.243 4.126 4.340 0.048 0.000 0.210 35 L C 0.841 177.739 176.870 0.048 0.000 1.073 35 L CA 3.756 58.627 54.840 0.051 0.000 0.748 35 L CB 0.010 42.098 42.059 0.048 0.000 0.891 35 L HN -0.411 7.868 8.230 0.081 0.000 0.431 36 I N -6.677 113.917 120.570 0.041 0.000 3.603 36 I HA -0.111 4.085 4.170 0.043 0.000 0.297 36 I C 1.209 177.346 176.117 0.033 0.000 1.269 36 I CA 2.380 63.700 61.300 0.035 0.000 1.361 36 I CB -0.146 37.865 38.000 0.017 0.000 1.063 36 I HN -0.588 7.646 8.210 0.040 0.000 0.448 37 L N -0.996 120.246 121.223 0.032 0.000 2.249 37 L HA -0.171 4.185 4.340 0.026 0.000 0.207 37 L C 1.304 178.193 176.870 0.032 0.000 1.090 37 L CA 2.389 57.247 54.840 0.029 0.000 0.802 37 L CB 0.309 42.383 42.059 0.025 0.000 0.947 37 L HN -0.401 7.850 8.230 0.035 0.000 0.453 38 D N -4.005 116.417 120.400 0.036 0.000 2.716 38 D HA 0.189 4.848 4.640 0.032 0.000 0.273 38 D C 1.168 177.491 176.300 0.037 0.000 1.024 38 D CA 2.064 56.085 54.000 0.035 0.000 0.944 38 D CB 1.264 42.085 40.800 0.035 0.000 1.186 38 D HN -0.177 8.216 8.370 0.039 0.000 0.485 39 T N -0.485 114.094 114.554 0.042 0.000 2.939 39 T HA 0.040 4.413 4.350 0.040 0.000 0.254 39 T C 0.149 174.881 174.700 0.054 0.000 1.041 39 T CA 2.649 64.776 62.100 0.044 0.000 1.142 39 T CB 1.882 70.775 68.868 0.043 0.000 0.874 39 T HN -0.539 7.727 8.240 0.043 0.000 0.452 40 I N -5.750 114.855 120.570 0.059 0.000 3.322 40 I HA 0.448 4.734 4.170 0.074 -0.072 0.313 40 I C -2.291 173.867 176.117 0.067 0.000 1.129 40 I CA -2.399 58.944 61.300 0.072 0.000 0.963 40 I CB 3.568 41.620 38.000 0.087 0.000 1.273 40 I HN -0.172 8.072 8.210 0.055 0.000 0.473 41 S N 0.843 116.590 115.700 0.078 0.000 2.594 41 S HA 0.353 4.860 4.470 0.062 0.000 0.322 41 S C -1.438 173.216 174.600 0.091 0.000 1.085 41 S CA -2.140 56.104 58.200 0.073 0.000 1.116 41 S CB 1.034 64.275 63.200 0.068 0.000 0.979 41 S HN 0.287 8.650 8.310 0.088 0.000 0.465 42 L N 8.625 129.899 121.223 0.084 0.000 2.334 42 L HA 0.225 4.779 4.340 0.138 -0.131 0.286 42 L C -0.486 176.450 176.870 0.110 0.000 1.108 42 L CA -0.198 54.707 54.840 0.108 0.000 0.875 42 L CB -0.091 42.016 42.059 0.080 0.000 1.246 42 L HN 0.679 8.949 8.230 0.067 0.000 0.439 43 D N 5.500 125.980 120.400 0.133 0.000 2.350 43 D HA 0.014 4.714 4.640 0.099 0.000 0.213 43 D C -0.724 175.697 176.300 0.202 0.000 1.031 43 D CA 1.049 55.123 54.000 0.123 0.000 0.861 43 D CB 1.002 41.852 40.800 0.083 0.000 0.926 43 D HN -0.020 8.437 8.370 0.146 0.000 0.520 44 Y N -2.050 118.297 120.300 0.078 0.000 2.376 44 Y HA 0.065 4.664 4.550 0.082 0.000 0.321 44 Y C -2.864 173.146 175.900 0.184 0.000 1.189 44 Y CA 0.203 58.357 58.100 0.090 0.000 1.069 44 Y CB 2.649 41.128 38.460 0.032 0.000 1.292 44 Y HN -0.824 7.555 8.280 0.251 0.052 0.430 45 H N 7.442 126.271 119.070 -0.402 0.000 3.289 45 H HA 0.411 4.906 4.556 -0.101 0.000 0.330 45 H C -0.989 174.128 175.328 -0.352 0.000 1.187 45 H CA 0.092 55.991 56.048 -0.247 0.000 1.601 45 H CB 2.255 31.922 29.762 -0.159 0.000 1.997 45 H HN 0.181 8.160 8.280 -0.501 0.000 0.489 46 E N 6.369 126.362 120.200 -0.345 0.000 2.265 46 E HA -0.253 3.891 4.350 -0.343 0.000 0.196 46 E C 0.738 177.264 176.600 -0.124 0.000 0.996 46 E CA 2.863 59.102 56.400 -0.269 0.000 0.832 46 E CB 0.081 29.665 29.700 -0.192 0.000 0.756 46 E HN 0.661 8.840 8.360 -0.302 0.000 0.491 47 T N -1.214 113.352 114.554 0.020 0.000 2.904 47 T HA -0.219 4.091 4.350 -0.066 0.000 0.267 47 T C 0.997 175.705 174.700 0.012 0.000 1.059 47 T CA 3.257 65.374 62.100 0.028 0.000 1.137 47 T CB 0.386 69.331 68.868 0.128 0.000 0.879 47 T HN 0.015 8.300 8.240 0.137 0.036 0.467 48 I N -5.831 114.751 120.570 0.020 0.000 4.403 48 I HA 0.328 4.467 4.170 -0.053 0.000 0.331 48 I C -0.467 175.618 176.117 -0.054 0.000 1.327 48 I CA -0.377 60.888 61.300 -0.059 0.000 1.175 48 I CB 1.102 39.019 38.000 -0.139 0.000 1.165 48 I HN -0.798 7.481 8.210 0.116 0.000 0.413 49 M N 0.677 120.244 119.600 -0.055 0.000 2.248 49 M HA 0.014 4.467 4.480 -0.044 0.000 0.337 49 M C 0.374 176.649 176.300 -0.041 0.000 1.121 49 M CA 0.747 56.012 55.300 -0.058 0.000 1.155 49 M CB 0.483 33.019 32.600 -0.106 0.000 1.514 49 M HN -0.589 7.672 8.290 -0.049 0.000 0.452 50 A N 3.254 126.061 122.820 -0.023 0.000 1.898 50 A HA -0.174 4.137 4.320 -0.015 0.000 0.216 50 A C -0.148 177.433 177.584 -0.004 0.000 1.181 50 A CA 1.741 53.771 52.037 -0.012 0.000 0.620 50 A CB -0.498 18.500 19.000 -0.003 0.000 0.819 50 A HN 0.247 8.386 8.150 -0.019 0.000 0.442 51 A N -2.265 120.558 122.820 0.005 0.000 2.351 51 A HA 0.089 4.420 4.320 0.018 0.000 0.257 51 A C -1.310 176.286 177.584 0.021 0.000 1.087 51 A CA -0.408 51.642 52.037 0.021 0.000 0.798 51 A CB 0.897 19.924 19.000 0.044 0.000 1.033 51 A HN -0.348 7.804 8.150 0.004 0.000 0.488 52 A N 0.479 123.316 122.820 0.029 0.000 2.435 52 A HA 0.462 4.804 4.320 0.037 0.000 0.296 52 A C 0.321 177.935 177.584 0.050 0.000 1.147 52 A CA -0.969 51.089 52.037 0.035 0.000 0.775 52 A CB 1.848 20.859 19.000 0.018 0.000 1.340 52 A HN -0.061 8.105 8.150 0.028 0.000 0.427 53 G N 0.061 108.894 108.800 0.055 0.000 2.614 53 G HA2 -0.406 3.577 3.960 0.038 0.000 0.303 53 G HA3 -0.406 3.587 3.960 0.055 0.000 0.303 53 G C 0.549 175.486 174.900 0.062 0.000 1.270 53 G CA 1.057 46.188 45.100 0.052 0.000 0.988 53 G HN 0.138 8.461 8.290 0.056 0.000 0.551 54 E N 3.234 123.461 120.200 0.045 0.000 2.118 54 E HA -0.417 3.962 4.350 0.048 0.000 0.195 54 E C 2.405 179.033 176.600 0.048 0.000 0.992 54 E CA 3.154 59.580 56.400 0.043 0.000 0.804 54 E CB -0.183 29.535 29.700 0.030 0.000 0.741 54 E HN 0.394 8.775 8.360 0.035 0.000 0.458 55 A N -1.839 121.008 122.820 0.046 0.000 1.972 55 A HA -0.193 4.152 4.320 0.041 0.000 0.219 55 A C 1.459 179.088 177.584 0.075 0.000 1.169 55 A CA 2.680 54.746 52.037 0.048 0.000 0.635 55 A CB -0.686 18.337 19.000 0.038 0.000 0.810 55 A HN -0.244 7.931 8.150 0.041 0.000 0.446 56 A N -1.254 121.627 122.820 0.102 0.000 1.898 56 A HA -0.353 4.076 4.320 0.183 0.000 0.214 56 A C 1.446 179.152 177.584 0.203 0.000 1.183 56 A CA 2.839 54.988 52.037 0.187 0.000 0.622 56 A CB -0.530 18.593 19.000 0.205 0.000 0.824 56 A HN -0.331 7.650 8.150 0.089 0.222 0.444 57 E N -0.707 119.565 120.200 0.120 0.000 2.085 57 E HA -0.421 3.930 4.350 0.002 0.000 0.194 57 E C 2.236 178.836 176.600 0.000 0.000 0.994 57 E CA 3.394 59.819 56.400 0.042 0.000 0.801 57 E CB -0.067 29.666 29.700 0.055 0.000 0.743 57 E HN -0.281 8.148 8.360 0.114 0.000 0.453 58 E N -0.973 119.242 120.200 0.025 0.000 2.077 58 E HA -0.327 4.018 4.350 -0.008 0.000 0.193 58 E C 2.310 178.912 176.600 0.003 0.000 0.989 58 E CA 2.788 59.193 56.400 0.008 0.000 0.800 58 E CB -0.215 29.496 29.700 0.018 0.000 0.746 58 E HN -0.279 8.106 8.360 0.042 0.000 0.452 59 A N -0.279 122.566 122.820 0.042 0.000 1.908 59 A HA -0.228 4.113 4.320 0.036 0.000 0.218 59 A C 2.126 179.714 177.584 0.006 0.000 1.181 59 A CA 2.991 55.062 52.037 0.057 0.000 0.627 59 A CB -0.593 18.485 19.000 0.128 0.000 0.818 59 A HN -0.492 7.697 8.150 0.065 0.000 0.445 60 L N -1.522 119.664 121.223 -0.062 0.000 2.046 60 L HA -0.353 3.812 4.340 -0.292 0.000 0.208 60 L C 1.986 178.699 176.870 -0.262 0.000 1.077 60 L CA 3.023 57.681 54.840 -0.304 0.000 0.747 60 L CB -0.271 41.385 42.059 -0.670 0.000 0.896 60 L HN -0.210 8.011 8.230 -0.016 0.000 0.432 61 Q N -1.965 117.731 119.800 -0.174 0.000 2.172 61 Q HA -0.371 3.857 4.340 -0.186 0.000 0.200 61 Q C 2.746 178.673 176.000 -0.121 0.000 0.964 61 Q CA 2.566 58.280 55.803 -0.149 0.000 0.855 61 Q CB -0.551 28.131 28.738 -0.094 0.000 0.918 61 Q HN -0.204 7.985 8.270 -0.135 0.000 0.444 62 A N -0.566 122.203 122.820 -0.085 0.000 1.902 62 A HA -0.296 3.997 4.320 -0.045 0.000 0.217 62 A C 0.935 178.472 177.584 -0.079 0.000 1.181 62 A CA 2.774 54.776 52.037 -0.057 0.000 0.623 62 A CB -0.745 18.240 19.000 -0.025 0.000 0.818 62 A HN -0.060 8.045 8.150 -0.074 0.000 0.443 63 A N -3.385 119.359 122.820 -0.128 0.000 1.898 63 A HA -0.253 4.013 4.320 -0.091 0.000 0.216 63 A C 2.554 179.945 177.584 -0.323 0.000 1.181 63 A CA 2.525 54.458 52.037 -0.174 0.000 0.620 63 A CB -0.207 18.680 19.000 -0.188 0.000 0.819 63 A HN -0.690 7.365 8.150 -0.130 0.017 0.442 64 V N -2.567 117.073 119.914 -0.457 0.000 2.548 64 V HA -0.313 3.086 4.120 -1.201 0.000 0.249 64 V C 0.585 176.611 176.094 -0.113 0.000 1.055 64 V CA 3.519 65.463 62.300 -0.593 0.000 1.065 64 V CB 0.167 31.681 31.823 -0.515 0.000 0.681 64 V HN -0.390 7.573 8.190 -0.379 0.000 0.462 65 N N -2.479 116.172 118.700 -0.081 0.000 2.295 65 N HA 0.093 4.851 4.740 0.031 0.000 0.221 65 N C 0.060 175.580 175.510 0.016 0.000 1.129 65 N CA -0.201 52.846 53.050 -0.004 0.000 0.836 65 N CB -0.189 38.285 38.487 -0.021 0.000 1.040 65 N HN -0.374 7.934 8.380 -0.119 0.000 0.494 66 G N 0.914 109.730 108.800 0.027 0.000 2.606 66 G HA2 0.188 4.176 3.960 0.047 0.000 0.252 66 G HA3 0.188 4.163 3.960 0.025 0.000 0.252 66 G C 0.210 175.150 174.900 0.067 0.000 1.206 66 G CA -1.457 43.669 45.100 0.043 0.000 0.861 66 G HN -0.768 7.334 8.290 0.012 0.195 0.561 67 P HA -0.094 4.351 4.420 0.042 0.000 0.212 67 P C -0.168 177.168 177.300 0.059 0.000 1.180 67 P CA 1.135 64.264 63.100 0.048 0.000 0.902 67 P CB 0.379 32.101 31.700 0.037 0.000 0.778 68 D N -0.999 119.441 120.400 0.066 0.000 2.392 68 D HA 0.020 4.692 4.640 0.052 0.000 0.228 68 D C -0.261 176.092 176.300 0.087 0.000 1.003 68 D CA -0.023 54.017 54.000 0.068 0.000 0.917 68 D CB 0.075 40.915 40.800 0.067 0.000 0.890 68 D HN 0.019 8.429 8.370 0.066 0.000 0.532 69 G N -1.820 107.053 108.800 0.122 0.000 2.760 69 G HA2 -0.401 3.599 3.960 0.067 0.000 0.246 69 G HA3 -0.401 3.666 3.960 0.179 0.000 0.246 69 G C -2.685 172.369 174.900 0.256 0.000 1.359 69 G CA -0.333 44.853 45.100 0.144 0.000 0.861 69 G HN -0.797 7.478 8.290 0.123 0.090 0.541 70 F N -6.277 113.687 119.950 0.023 0.000 2.693 70 F HA 0.544 5.216 4.527 0.042 -0.119 0.309 70 F C -2.452 173.352 175.800 0.006 0.000 1.129 70 F CA -2.306 55.709 58.000 0.024 0.000 0.948 70 F CB 2.169 41.176 39.000 0.012 0.000 1.315 70 F HN -0.134 8.044 8.300 -0.203 0.000 0.447 71 I N -0.806 119.786 120.570 0.037 0.000 2.353 71 I HA 0.370 4.519 4.170 -0.269 -0.140 0.293 71 I C -1.594 174.553 176.117 0.051 0.000 0.992 71 I CA -1.331 59.912 61.300 -0.095 0.000 1.268 71 I CB 1.901 39.867 38.000 -0.058 0.000 1.387 71 I HN 0.111 8.433 8.210 0.186 0.000 0.478 72 C N 8.052 127.311 119.300 -0.067 0.000 2.322 72 C HA 0.857 5.621 4.460 0.150 -0.213 0.324 72 C C -1.677 173.252 174.990 -0.102 0.000 1.284 72 C CA -2.322 56.716 59.018 0.033 0.000 1.606 72 C CB 1.340 29.119 27.740 0.065 0.000 2.251 72 C HN 0.576 8.684 8.230 -0.202 0.000 0.502 73 L N 8.932 130.076 121.223 -0.132 0.000 2.287 73 L HA 0.851 5.228 4.340 -0.253 -0.189 0.287 73 L C -1.718 174.873 176.870 -0.465 0.000 1.022 73 L CA -1.082 53.575 54.840 -0.305 0.000 0.814 73 L CB 1.748 43.597 42.059 -0.351 0.000 1.217 73 L HN 0.610 8.800 8.230 -0.066 0.000 0.420 74 V N 4.160 123.847 119.914 -0.380 0.000 2.487 74 V HA 0.667 4.707 4.120 -0.397 -0.158 0.298 74 V C -2.384 173.523 176.094 -0.312 0.000 1.028 74 V CA -2.973 59.129 62.300 -0.330 0.000 0.860 74 V CB 3.436 35.159 31.823 -0.166 0.000 0.991 74 V HN 0.696 8.701 8.190 -0.308 0.000 0.427 75 E N 9.448 129.460 120.200 -0.313 0.000 2.171 75 E HA 0.707 5.169 4.350 -0.109 -0.178 0.271 75 E C -0.980 175.620 176.600 0.000 0.000 0.916 75 E CA -2.449 53.870 56.400 -0.134 0.000 0.774 75 E CB 2.966 32.636 29.700 -0.051 0.000 1.128 75 E HN 0.514 8.655 8.360 -0.365 0.000 0.403 76 G N 3.793 112.617 108.800 0.040 0.000 2.662 76 G HA2 -0.326 3.713 3.960 0.096 0.000 0.686 76 G HA3 -0.326 3.760 3.960 0.090 -0.071 0.686 76 G C -2.197 172.740 174.900 0.062 0.000 1.271 76 G CA -0.832 44.314 45.100 0.077 0.000 0.816 76 G HN -0.195 8.112 8.290 0.029 0.000 0.608 77 A N -0.832 122.030 122.820 0.071 0.000 2.264 77 A HA 0.419 4.777 4.320 0.063 0.000 0.304 77 A C -1.119 176.513 177.584 0.079 0.000 1.100 77 A CA -1.456 50.621 52.037 0.067 0.000 0.839 77 A CB 2.635 21.670 19.000 0.058 0.000 1.121 77 A HN 0.083 8.278 8.150 0.076 0.000 0.496 78 I N -1.752 118.866 120.570 0.081 0.000 2.315 78 I HA 0.383 4.625 4.170 0.120 0.000 0.291 78 I C -2.093 174.068 176.117 0.075 0.000 1.006 78 I CA -4.321 57.042 61.300 0.105 0.000 1.265 78 I CB 0.250 38.334 38.000 0.140 0.000 1.387 78 I HN 0.131 8.381 8.210 0.068 0.000 0.475 79 P HA 0.295 4.741 4.420 0.044 0.000 0.287 79 P C -0.853 176.496 177.300 0.081 0.000 1.294 79 P CA -0.610 62.536 63.100 0.077 0.000 0.776 79 P CB -0.221 31.545 31.700 0.111 0.000 0.889 80 T N 0.989 115.566 114.554 0.039 0.000 3.010 80 T HA 0.297 4.823 4.350 -0.063 -0.214 0.257 80 T C 1.361 176.060 174.700 -0.002 0.000 1.020 80 T CA -1.063 61.015 62.100 -0.036 0.000 0.938 80 T CB 1.092 69.891 68.868 -0.114 0.000 1.049 80 T HN -0.161 8.098 8.240 0.031 0.000 0.522 81 G N 1.966 110.832 108.800 0.111 0.000 2.594 81 G HA2 -0.157 4.024 3.960 0.281 0.000 0.243 81 G HA3 -0.157 3.858 3.960 0.092 0.000 0.243 81 G C -0.425 174.562 174.900 0.145 0.000 1.229 81 G CA -0.914 44.293 45.100 0.179 0.000 0.843 81 G HN -0.196 8.172 8.290 0.131 0.000 0.578 82 M N 0.214 119.846 119.600 0.053 0.000 2.249 82 M HA -0.443 3.999 4.480 -0.063 0.000 0.198 82 M C -1.028 175.212 176.300 -0.101 0.000 0.394 82 M CA 1.264 56.511 55.300 -0.089 0.000 0.427 82 M CB -0.527 31.864 32.600 -0.348 0.000 1.307 82 M HN 0.382 8.717 8.290 0.074 0.000 0.924 83 D N -3.192 117.165 120.400 -0.072 0.000 2.751 83 D HA -0.338 4.241 4.640 -0.101 0.000 0.233 83 D C -0.961 175.280 176.300 -0.097 0.000 1.149 83 D CA 1.843 55.792 54.000 -0.084 0.000 0.682 83 D CB -1.801 38.966 40.800 -0.056 0.000 1.068 83 D HN 0.511 8.846 8.370 -0.059 0.000 0.429 84 N N -10.017 108.627 118.700 -0.093 0.000 2.878 84 N HA -0.474 4.414 4.740 -0.025 -0.163 0.247 84 N C 0.269 175.708 175.510 -0.118 0.000 1.021 84 N CA 1.919 54.924 53.050 -0.074 0.000 0.873 84 N CB -1.658 36.784 38.487 -0.074 0.000 1.128 84 N HN -0.071 8.223 8.380 -0.072 0.042 0.571 85 K N -1.566 118.755 120.400 -0.132 0.000 2.487 85 K HA -0.071 4.115 4.320 -0.224 0.000 0.192 85 K C 0.156 176.736 176.600 -0.033 0.000 1.027 85 K CA 0.855 57.083 56.287 -0.099 0.000 1.054 85 K CB -0.473 32.028 32.500 0.001 0.000 0.824 85 K HN -0.660 7.461 8.250 -0.130 0.052 0.510 86 Y N -3.383 116.940 120.300 0.038 0.000 2.561 86 Y HA -0.129 4.471 4.550 0.083 0.000 0.291 86 Y C 0.381 176.326 175.900 0.075 0.000 1.141 86 Y CA 1.192 59.328 58.100 0.060 0.000 1.303 86 Y CB 0.393 38.870 38.460 0.029 0.000 1.015 86 Y HN -0.363 7.900 8.280 0.072 0.060 0.547 87 G N -1.844 107.053 108.800 0.163 0.000 2.744 87 G HA2 0.274 4.303 3.960 0.116 0.000 0.286 87 G HA3 0.274 4.341 3.960 0.180 0.000 0.286 87 G C -3.008 171.906 174.900 0.024 0.000 1.497 87 G CA 0.128 45.306 45.100 0.130 0.000 1.070 87 G HN -0.898 7.376 8.290 0.083 0.066 0.539 88 Y N 2.728 123.083 120.300 0.092 0.000 2.536 88 Y HA 0.804 5.601 4.550 0.100 -0.187 0.347 88 Y C -0.561 175.390 175.900 0.085 0.000 1.000 88 Y CA -1.407 56.743 58.100 0.084 0.000 1.051 88 Y CB 4.277 42.766 38.460 0.049 0.000 1.259 88 Y HN 0.072 8.533 8.280 0.302 0.000 0.468 89 I N 0.920 121.658 120.570 0.280 0.000 2.534 89 I HA 0.247 4.527 4.170 0.183 0.000 0.288 89 I C -0.495 175.742 176.117 0.199 0.000 1.077 89 I CA -0.666 60.760 61.300 0.209 0.000 1.051 89 I CB 3.461 41.570 38.000 0.182 0.000 1.234 89 I HN 0.404 8.789 8.210 0.290 0.000 0.425 90 A N 5.587 128.483 122.820 0.127 0.000 2.832 90 A HA -0.265 4.077 4.320 0.037 0.000 0.280 90 A C 0.410 177.958 177.584 -0.060 0.000 1.464 90 A CA 1.293 53.368 52.037 0.064 0.000 0.804 90 A CB -2.121 16.951 19.000 0.120 0.000 1.020 90 A HN 0.815 9.033 8.150 0.113 0.000 0.563 91 G N -5.182 103.610 108.800 -0.014 0.000 2.162 91 G HA2 -0.299 3.543 3.960 -0.197 0.000 0.260 91 G HA3 -0.299 3.604 3.960 -0.094 0.000 0.260 91 G C -0.673 174.256 174.900 0.048 0.000 0.976 91 G CA -0.069 44.984 45.100 -0.078 0.000 0.655 91 G HN 0.204 8.497 8.290 0.062 0.033 0.533 92 H N 0.693 119.962 119.070 0.331 0.000 2.457 92 H HA 0.401 5.081 4.556 0.206 0.000 0.335 92 H C -0.445 174.896 175.328 0.022 0.000 1.115 92 H CA -1.692 54.476 56.048 0.200 0.000 1.219 92 H CB 1.804 31.618 29.762 0.087 0.000 1.471 92 H HN -0.424 7.797 8.280 0.196 0.178 0.491 93 T N -1.004 113.465 114.554 -0.141 0.000 2.900 93 T HA 0.013 4.098 4.350 -0.712 -0.162 0.307 93 T C 1.311 175.983 174.700 -0.046 0.000 1.065 93 T CA -0.260 61.614 62.100 -0.377 0.000 1.105 93 T CB 0.952 69.617 68.868 -0.338 0.000 0.979 93 T HN 0.523 8.742 8.240 -0.035 0.000 0.544 94 M N 3.654 123.245 119.600 -0.015 0.000 2.108 94 M HA -0.436 4.085 4.480 0.069 0.000 0.261 94 M C 1.505 177.878 176.300 0.121 0.000 1.066 94 M CA 5.079 60.423 55.300 0.073 0.000 1.107 94 M CB -0.275 32.383 32.600 0.096 0.000 1.356 94 M HN -0.054 8.193 8.290 -0.071 0.000 0.406 95 Y N -0.880 119.448 120.300 0.047 0.000 2.114 95 Y HA -0.403 4.286 4.550 0.231 0.000 0.282 95 Y C 2.199 178.183 175.900 0.140 0.000 1.165 95 Y CA 3.047 61.223 58.100 0.127 0.000 1.148 95 Y CB -0.257 38.228 38.460 0.041 0.000 0.972 95 Y HN 0.006 8.421 8.280 0.225 0.000 0.504 96 D N -0.468 119.973 120.400 0.070 0.000 2.178 96 D HA -0.242 4.357 4.640 -0.068 0.000 0.202 96 D C 2.283 178.506 176.300 -0.129 0.000 0.974 96 D CA 3.102 57.090 54.000 -0.020 0.000 0.841 96 D CB -0.403 40.442 40.800 0.076 0.000 0.953 96 D HN -0.647 7.807 8.370 0.168 0.017 0.478 97 I N 0.294 120.810 120.570 -0.091 0.000 2.286 97 I HA -0.438 3.624 4.170 -0.181 0.000 0.245 97 I C 1.686 177.690 176.117 -0.187 0.000 1.104 97 I CA 4.129 65.348 61.300 -0.134 0.000 1.397 97 I CB 0.164 38.128 38.000 -0.059 0.000 1.072 97 I HN -0.493 7.588 8.210 -0.030 0.111 0.417 98 C N -1.401 117.777 119.300 -0.204 0.000 2.467 98 C HA -0.301 3.981 4.460 -0.296 0.000 0.279 98 C C 1.879 176.484 174.990 -0.641 0.000 1.347 98 C CA 3.619 62.417 59.018 -0.367 0.000 1.748 98 C CB -1.968 25.593 27.740 -0.297 0.000 1.977 98 C HN -0.196 7.953 8.230 -0.135 0.000 0.501 99 K N 1.264 121.320 120.400 -0.573 0.000 2.147 99 K HA -0.343 3.586 4.320 -0.651 0.000 0.205 99 K C 1.291 177.708 176.600 -0.305 0.000 1.049 99 K CA 2.847 58.840 56.287 -0.490 0.000 0.936 99 K CB -0.304 31.960 32.500 -0.393 0.000 0.722 99 K HN -0.042 7.937 8.250 -0.452 0.000 0.446 100 N N -1.743 116.809 118.700 -0.247 0.000 2.135 100 N HA -0.182 4.473 4.740 -0.142 0.000 0.186 100 N C 1.504 176.925 175.510 -0.148 0.000 1.027 100 N CA 2.934 55.881 53.050 -0.172 0.000 0.849 100 N CB 1.013 39.398 38.487 -0.170 0.000 1.002 100 N HN -0.652 7.552 8.380 -0.261 0.019 0.425 101 I N -1.617 118.854 120.570 -0.164 0.000 2.494 101 I HA -0.266 3.893 4.170 -0.018 0.000 0.250 101 I C 1.688 177.786 176.117 -0.031 0.000 1.112 101 I CA 2.486 63.746 61.300 -0.066 0.000 1.438 101 I CB 0.704 38.649 38.000 -0.091 0.000 1.111 101 I HN -0.576 7.508 8.210 -0.210 0.000 0.431 102 L N -0.063 121.052 121.223 -0.180 0.000 2.012 102 L HA -0.191 4.064 4.340 -0.141 0.000 0.210 102 L C -0.383 176.378 176.870 -0.181 0.000 1.073 102 L CA 5.441 60.156 54.840 -0.208 0.000 0.748 102 L CB -3.342 38.489 42.059 -0.379 0.000 0.891 102 L HN -0.403 7.662 8.230 -0.275 0.000 0.431 103 P HA -0.150 4.198 4.420 -0.120 0.000 0.221 103 P C 0.243 177.482 177.300 -0.101 0.000 1.145 103 P CA 1.705 64.732 63.100 -0.122 0.000 0.795 103 P CB -0.553 31.088 31.700 -0.098 0.000 0.775 104 K N -5.105 115.257 120.400 -0.062 0.000 2.418 104 K HA -0.061 4.240 4.320 -0.032 0.000 0.195 104 K C -0.234 176.216 176.600 -0.250 0.000 1.035 104 K CA -0.071 56.202 56.287 -0.022 0.000 1.003 104 K CB 0.149 32.751 32.500 0.170 0.000 0.793 104 K HN -0.269 7.796 8.250 -0.037 0.162 0.494 105 A N -0.990 121.533 122.820 -0.496 0.000 2.388 105 A HA -0.026 3.288 4.320 -1.834 -0.094 0.257 105 A C 0.235 177.503 177.584 -0.527 0.000 1.095 105 A CA -0.275 51.170 52.037 -0.987 0.000 0.791 105 A CB 1.266 19.806 19.000 -0.767 0.000 1.029 105 A HN -0.774 7.128 8.150 -0.320 0.056 0.489 106 K N 2.117 122.231 120.400 -0.476 0.000 2.365 106 K HA -0.185 4.044 4.320 -0.152 0.000 0.199 106 K C -0.220 176.279 176.600 -0.168 0.000 1.045 106 K CA 1.555 57.727 56.287 -0.191 0.000 0.962 106 K CB 0.512 32.983 32.500 -0.049 0.000 0.759 106 K HN 0.355 8.232 8.250 -0.622 0.000 0.469 107 A N -2.927 119.698 122.820 -0.326 0.000 2.599 107 A HA 0.190 4.335 4.320 -0.292 0.000 0.294 107 A C -2.876 174.482 177.584 -0.376 0.000 1.055 107 A CA -0.054 51.746 52.037 -0.395 0.000 0.683 107 A CB 2.724 21.238 19.000 -0.810 0.000 1.278 107 A HN -0.770 7.095 8.150 -0.402 0.043 0.412 108 V N 1.034 120.768 119.914 -0.299 0.000 2.540 108 V HA 0.804 4.997 4.120 -0.231 -0.212 0.302 108 V C -0.932 175.034 176.094 -0.214 0.000 1.035 108 V CA -0.877 61.284 62.300 -0.232 0.000 0.873 108 V CB 2.978 34.694 31.823 -0.178 0.000 0.992 108 V HN 0.284 8.309 8.190 -0.275 0.000 0.428 109 V N 6.913 126.709 119.914 -0.197 0.000 2.384 109 V HA 0.400 4.574 4.120 -0.146 -0.142 0.287 109 V C -1.115 174.884 176.094 -0.158 0.000 1.020 109 V CA -1.927 60.276 62.300 -0.161 0.000 0.850 109 V CB 1.184 32.922 31.823 -0.142 0.000 0.987 109 V HN 0.960 9.030 8.190 -0.200 0.000 0.436 110 S N 8.672 124.288 115.700 -0.140 0.000 2.416 110 S HA 0.307 4.818 4.470 -0.150 -0.132 0.287 110 S C -0.854 173.666 174.600 -0.133 0.000 1.139 110 S CA 0.169 58.282 58.200 -0.146 0.000 1.058 110 S CB 0.096 63.202 63.200 -0.157 0.000 0.967 110 S HN 0.629 8.861 8.310 -0.130 0.000 0.495 111 I N 0.431 120.921 120.570 -0.134 0.000 2.354 111 I HA 0.623 4.911 4.170 -0.048 -0.147 0.292 111 I C -0.404 175.699 176.117 -0.024 0.000 0.989 111 I CA -2.250 59.008 61.300 -0.070 0.000 1.188 111 I CB 1.448 39.409 38.000 -0.065 0.000 1.342 111 I HN 0.265 8.374 8.210 -0.168 0.000 0.457 112 G N 5.997 114.808 108.800 0.019 0.000 2.692 112 G HA2 -0.366 3.649 3.960 0.092 0.000 0.686 112 G HA3 -0.366 3.834 3.960 0.104 -0.177 0.686 112 G C 0.072 174.996 174.900 0.040 0.000 1.243 112 G CA -0.360 44.782 45.100 0.070 0.000 0.782 112 G HN 0.321 8.624 8.290 0.021 0.000 0.625 113 T N 2.450 117.082 114.554 0.130 0.000 2.849 113 T HA -0.313 4.090 4.350 0.089 0.000 0.270 113 T C 1.544 176.344 174.700 0.167 0.000 1.066 113 T CA 4.864 67.075 62.100 0.184 0.000 1.130 113 T CB -0.003 69.103 68.868 0.397 0.000 0.864 113 T HN -0.047 8.297 8.240 0.173 0.000 0.481 114 C N -1.049 118.352 119.300 0.168 0.000 2.489 114 C HA -0.118 4.435 4.460 0.178 0.014 0.279 114 C C 2.230 177.250 174.990 0.050 0.000 1.266 114 C CA 3.589 62.690 59.018 0.138 0.000 1.707 114 C CB -1.567 26.255 27.740 0.136 0.000 2.059 114 C HN 0.247 8.551 8.230 0.178 0.033 0.481 115 A N 0.536 123.357 122.820 0.002 0.000 2.015 115 A HA -0.164 4.284 4.320 -0.006 -0.132 0.219 115 A C 1.780 179.290 177.584 -0.123 0.000 1.163 115 A CA 2.843 54.855 52.037 -0.042 0.000 0.646 115 A CB -1.131 17.831 19.000 -0.064 0.000 0.806 115 A HN -0.048 8.110 8.150 0.012 0.000 0.448 116 C N -2.681 116.463 119.300 -0.260 0.000 2.489 116 C HA -0.025 4.279 4.460 -0.477 -0.131 0.279 116 C C 2.070 176.730 174.990 -0.550 0.000 1.266 116 C CA 3.242 61.888 59.018 -0.621 0.000 1.707 116 C CB -0.668 26.364 27.740 -1.180 0.000 2.059 116 C HN -0.435 7.645 8.230 -0.211 0.024 0.481 117 Y N -5.311 115.030 120.300 0.068 0.000 2.610 117 Y HA 0.095 4.675 4.550 0.049 0.000 0.254 117 Y C 0.312 176.261 175.900 0.083 0.000 1.110 117 Y CA -1.265 56.878 58.100 0.071 0.000 1.238 117 Y CB 1.831 40.343 38.460 0.087 0.000 1.322 117 Y HN -0.076 8.145 8.280 -0.099 0.000 0.547 118 G N -2.265 106.645 108.800 0.183 0.000 2.612 118 G HA2 -0.202 3.844 3.960 0.142 0.000 0.200 118 G HA3 -0.202 3.819 3.960 0.100 0.000 0.200 118 G C -0.233 174.763 174.900 0.160 0.000 1.053 118 G CA -0.332 44.854 45.100 0.143 0.000 0.707 118 G HN -0.303 7.967 8.290 0.138 0.103 0.497 119 G N 0.637 109.597 108.800 0.266 0.000 2.575 119 G HA2 -0.413 3.734 3.960 0.312 0.000 0.267 119 G HA3 -0.413 3.869 3.960 0.536 0.000 0.267 119 G C 0.703 175.708 174.900 0.175 0.000 1.264 119 G CA 0.187 45.499 45.100 0.355 0.000 0.935 119 G HN -0.576 7.902 8.290 0.313 0.000 0.568 120 I N 2.678 123.247 120.570 -0.001 0.000 2.286 120 I HA -0.294 3.070 4.170 -1.343 0.000 0.248 120 I C 1.341 177.227 176.117 -0.385 0.000 1.115 120 I CA 2.136 63.072 61.300 -0.607 0.000 1.392 120 I CB 0.077 37.734 38.000 -0.571 0.000 1.065 120 I HN 0.016 8.317 8.210 0.151 0.000 0.418 121 Q N -1.193 118.502 119.800 -0.174 0.000 2.435 121 Q HA -0.184 4.043 4.340 -0.188 0.000 0.207 121 Q C 1.255 177.184 176.000 -0.118 0.000 0.956 121 Q CA 2.232 57.947 55.803 -0.148 0.000 0.917 121 Q CB -1.275 27.407 28.738 -0.094 0.000 0.997 121 Q HN 0.384 8.592 8.270 -0.102 0.000 0.497 122 A N -1.184 121.592 122.820 -0.073 0.000 2.178 122 A HA 0.025 4.503 4.320 -0.041 -0.182 0.211 122 A C -0.699 176.863 177.584 -0.037 0.000 1.157 122 A CA -0.697 51.322 52.037 -0.030 0.000 0.780 122 A CB 0.041 19.062 19.000 0.035 0.000 0.828 122 A HN -0.488 7.461 8.150 -0.061 0.165 0.476 123 A N -0.836 121.932 122.820 -0.087 0.000 2.547 123 A HA -0.197 4.272 4.320 -0.007 -0.154 0.233 123 A C -0.019 177.520 177.584 -0.075 0.000 1.067 123 A CA -0.073 51.918 52.037 -0.078 0.000 0.763 123 A CB 0.583 19.472 19.000 -0.185 0.000 1.007 123 A HN -0.836 7.185 8.150 -0.144 0.043 0.506 124 K N 2.044 122.417 120.400 -0.044 0.000 2.524 124 K HA -0.149 4.147 4.320 -0.041 0.000 0.279 124 K C -0.729 175.834 176.600 -0.062 0.000 0.993 124 K CA -0.032 56.228 56.287 -0.044 0.000 1.030 124 K CB -0.730 31.753 32.500 -0.030 0.000 0.891 124 K HN -0.281 8.396 8.250 -0.025 -0.442 0.488 125 P HA 0.129 4.525 4.420 -0.041 0.000 0.254 125 P C -1.130 176.134 177.300 -0.061 0.000 1.494 125 P CA -0.803 62.266 63.100 -0.051 0.000 0.961 125 P CB -0.087 31.586 31.700 -0.044 0.000 1.493 126 N N 0.967 119.620 118.700 -0.078 0.000 2.667 126 N HA -0.366 4.522 4.740 -0.105 -0.211 0.263 126 N C -0.918 174.524 175.510 -0.113 0.000 1.038 126 N CA 0.377 53.373 53.050 -0.089 0.000 0.749 126 N CB -1.053 37.399 38.487 -0.058 0.000 0.892 126 N HN 0.150 8.313 8.380 -0.084 0.167 0.546 127 P HA -0.230 4.106 4.420 -0.140 0.000 0.217 127 P C -0.662 176.434 177.300 -0.339 0.000 1.148 127 P CA 2.023 65.001 63.100 -0.203 0.000 0.828 127 P CB 0.083 31.642 31.700 -0.235 0.000 0.783 128 T N -8.668 105.663 114.554 -0.372 0.000 3.092 128 T HA 0.093 3.980 4.350 -0.772 0.000 0.258 128 T C -0.406 174.224 174.700 -0.116 0.000 1.031 128 T CA -1.856 59.956 62.100 -0.481 0.000 0.925 128 T CB 0.501 69.055 68.868 -0.524 0.000 1.036 128 T HN -0.657 7.376 8.240 -0.280 0.039 0.544 129 A N 1.136 123.907 122.820 -0.082 0.000 2.739 129 A HA -0.465 3.866 4.320 -0.035 -0.033 0.296 129 A C -1.349 176.221 177.584 -0.023 0.000 1.488 129 A CA 0.782 52.800 52.037 -0.032 0.000 0.746 129 A CB -1.964 17.034 19.000 -0.004 0.000 1.047 129 A HN -0.330 7.753 8.150 -0.109 0.002 0.477 130 A N -1.403 121.397 122.820 -0.033 0.000 2.425 130 A HA 0.216 4.775 4.320 0.003 -0.238 0.249 130 A C -0.411 177.176 177.584 0.004 0.000 1.084 130 A CA -0.029 52.003 52.037 -0.009 0.000 0.781 130 A CB 0.984 19.975 19.000 -0.014 0.000 1.019 130 A HN -0.259 8.188 8.150 -0.055 -0.330 0.490 131 K N 3.351 123.759 120.400 0.012 0.000 2.422 131 K HA 0.328 4.662 4.320 0.024 0.000 0.251 131 K C -0.306 176.311 176.600 0.028 0.000 0.933 131 K CA -1.732 54.563 56.287 0.013 0.000 0.798 131 K CB 4.636 37.121 32.500 -0.025 0.000 1.238 131 K HN -0.145 8.115 8.250 0.017 0.000 0.428 132 G N 1.280 110.107 108.800 0.046 0.000 2.667 132 G HA2 0.127 4.111 3.960 0.041 0.000 0.250 132 G HA3 0.127 4.243 3.960 0.035 -0.135 0.250 132 G C 0.852 175.769 174.900 0.029 0.000 1.212 132 G CA -0.613 44.510 45.100 0.037 0.000 0.874 132 G HN 0.467 8.794 8.290 0.061 0.000 0.561 133 I N 0.518 121.113 120.570 0.042 0.000 2.142 133 I HA -0.415 3.878 4.170 0.204 0.000 0.240 133 I C 1.902 178.091 176.117 0.121 0.000 1.078 133 I CA 2.988 64.365 61.300 0.128 0.000 1.343 133 I CB -0.869 37.185 38.000 0.091 0.000 1.046 133 I HN 0.364 8.581 8.210 0.012 0.000 0.405 134 N N -1.208 117.526 118.700 0.055 0.000 2.166 134 N HA -0.321 4.464 4.740 0.075 0.000 0.186 134 N C 1.823 177.360 175.510 0.045 0.000 1.019 134 N CA 2.829 55.912 53.050 0.055 0.000 0.856 134 N CB -0.901 37.606 38.487 0.033 0.000 0.993 134 N HN 0.046 8.439 8.380 0.022 0.000 0.426 135 D N -0.139 120.280 120.400 0.032 0.000 2.104 135 D HA -0.156 4.497 4.640 0.021 0.000 0.194 135 D C 1.950 178.225 176.300 -0.042 0.000 0.994 135 D CA 2.666 56.672 54.000 0.010 0.000 0.830 135 D CB 0.062 40.874 40.800 0.019 0.000 0.959 135 D HN -0.101 8.293 8.370 0.040 0.000 0.452 136 C N -0.195 119.036 119.300 -0.116 0.000 2.457 136 C HA -0.112 4.215 4.460 -0.220 0.000 0.278 136 C C 1.086 175.816 174.990 -0.434 0.000 1.309 136 C CA 1.745 60.567 59.018 -0.327 0.000 1.735 136 C CB -0.323 27.118 27.740 -0.498 0.000 1.992 136 C HN -0.431 7.751 8.230 -0.081 0.000 0.493 137 Y N -2.992 117.333 120.300 0.042 0.000 2.636 137 Y HA 0.337 5.018 4.550 0.030 -0.113 0.260 137 Y C 1.367 177.271 175.900 0.005 0.000 1.177 137 Y CA -1.225 56.883 58.100 0.012 0.000 1.209 137 Y CB -0.885 37.553 38.460 -0.038 0.000 1.166 137 Y HN -0.284 7.990 8.280 -0.011 0.000 0.531 138 A N 2.335 125.214 122.820 0.097 0.000 1.881 138 A HA -0.388 3.969 4.320 0.062 0.000 0.219 138 A C 1.184 178.806 177.584 0.062 0.000 1.215 138 A CA 3.571 55.647 52.037 0.064 0.000 0.648 138 A CB -0.602 18.420 19.000 0.037 0.000 0.832 138 A HN -0.505 7.617 8.150 0.060 0.064 0.455 139 D N -2.908 117.530 120.400 0.063 0.000 2.354 139 D HA -0.239 4.428 4.640 0.045 0.000 0.216 139 D C 0.611 176.953 176.300 0.070 0.000 0.970 139 D CA 2.163 56.198 54.000 0.060 0.000 0.905 139 D CB -0.981 39.856 40.800 0.061 0.000 0.903 139 D HN 0.363 8.769 8.370 0.059 0.000 0.508 140 L N -3.016 118.262 121.223 0.092 0.000 2.640 140 L HA 0.211 4.584 4.340 0.055 0.000 0.230 140 L C 0.311 177.200 176.870 0.033 0.000 1.123 140 L CA -0.341 54.540 54.840 0.068 0.000 0.900 140 L CB 0.467 42.577 42.059 0.085 0.000 1.146 140 L HN -0.560 7.532 8.230 0.114 0.206 0.484 141 G N -2.004 106.818 108.800 0.036 0.000 2.143 141 G HA2 -0.348 3.616 3.960 0.005 0.000 0.249 141 G HA3 -0.348 3.622 3.960 0.016 0.000 0.249 141 G C -0.076 174.825 174.900 0.002 0.000 0.981 141 G CA 0.125 45.234 45.100 0.014 0.000 0.665 141 G HN -0.199 7.936 8.290 0.049 0.183 0.528 142 V N 2.489 122.413 119.914 0.017 0.000 2.521 142 V HA -0.185 3.910 4.120 -0.042 0.000 0.286 142 V C -1.009 175.086 176.094 0.001 0.000 1.034 142 V CA 0.601 62.896 62.300 -0.008 0.000 1.045 142 V CB -0.185 31.637 31.823 -0.000 0.000 0.974 142 V HN -0.596 7.560 8.190 0.044 0.061 0.480 143 K N 7.155 127.539 120.400 -0.027 0.000 2.752 143 K HA 0.336 4.786 4.320 -0.007 -0.135 0.199 143 K C -1.460 175.112 176.600 -0.046 0.000 1.069 143 K CA -2.247 54.027 56.287 -0.022 0.000 1.033 143 K CB -0.613 31.879 32.500 -0.014 0.000 1.229 143 K HN 0.130 8.353 8.250 -0.046 0.000 0.572 144 A N 2.707 125.496 122.820 -0.052 0.000 2.407 144 A HA 0.052 4.480 4.320 -0.106 -0.171 0.248 144 A C 0.334 177.875 177.584 -0.072 0.000 1.082 144 A CA -0.397 51.590 52.037 -0.082 0.000 0.785 144 A CB 1.156 20.104 19.000 -0.087 0.000 1.020 144 A HN -0.060 8.321 8.150 -0.035 -0.252 0.489 145 I N 1.291 121.810 120.570 -0.084 0.000 2.471 145 I HA -0.239 3.904 4.170 -0.046 0.000 0.286 145 I C -0.565 175.501 176.117 -0.085 0.000 1.079 145 I CA 0.754 62.017 61.300 -0.063 0.000 1.398 145 I CB 0.373 38.349 38.000 -0.041 0.000 1.403 145 I HN -0.313 7.834 8.210 -0.106 0.000 0.530 146 N N 8.596 127.236 118.700 -0.101 0.000 2.426 146 N HA 0.194 4.814 4.740 -0.200 0.000 0.257 146 N C -1.375 174.024 175.510 -0.185 0.000 1.002 146 N CA -0.339 52.600 53.050 -0.184 0.000 0.942 146 N CB 0.645 38.988 38.487 -0.240 0.000 1.112 146 N HN 0.140 8.473 8.380 -0.079 0.000 0.499 147 V N 5.042 124.877 119.914 -0.132 0.000 2.266 147 V HA 0.517 4.599 4.120 -0.063 0.000 0.266 147 V C -2.723 173.369 176.094 -0.004 0.000 1.036 147 V CA -4.324 57.968 62.300 -0.014 0.000 0.828 147 V CB -0.359 31.537 31.823 0.121 0.000 1.081 147 V HN 0.753 8.864 8.190 -0.132 0.000 0.449 148 P HA 0.050 4.367 4.420 0.007 0.107 0.293 148 P C -0.955 176.480 177.300 0.226 0.000 1.304 148 P CA -1.363 61.745 63.100 0.013 0.000 0.767 148 P CB 1.235 32.934 31.700 -0.001 0.000 1.247 149 G N -2.980 105.932 108.800 0.188 0.000 2.515 149 G HA2 -0.291 3.793 3.960 0.207 0.000 0.686 149 G HA3 -0.291 3.843 3.960 0.082 -0.125 0.686 149 G C -2.234 172.746 174.900 0.133 0.000 1.274 149 G CA -0.635 44.558 45.100 0.154 0.000 0.874 149 G HN -0.461 7.923 8.290 0.156 0.000 0.631 150 C N 1.737 121.087 119.300 0.083 0.000 3.414 150 C HA 0.551 5.127 4.460 0.192 0.000 0.208 150 C C -1.685 173.360 174.990 0.092 0.000 1.422 150 C CA -2.741 56.365 59.018 0.147 0.000 1.437 150 C CB -2.085 25.803 27.740 0.247 0.000 1.850 150 C HN 0.023 8.267 8.230 0.025 0.000 0.481 151 P HA 0.499 5.125 4.420 0.149 -0.117 0.284 151 P C -2.486 174.913 177.300 0.166 0.000 1.287 151 P CA -1.880 61.299 63.100 0.132 0.000 0.824 151 P CB -0.384 31.395 31.700 0.130 0.000 1.180 152 P HA -0.047 4.520 4.420 0.247 0.000 0.272 152 P C -0.977 176.459 177.300 0.227 0.000 1.230 152 P CA -0.722 62.505 63.100 0.212 0.000 0.788 152 P CB 0.824 32.629 31.700 0.176 0.000 0.949 153 N N -0.118 118.691 118.700 0.181 0.000 2.454 153 N HA -0.059 4.822 4.740 0.235 0.000 0.260 153 N C 0.544 176.033 175.510 -0.036 0.000 1.218 153 N CA -1.378 51.705 53.050 0.055 0.000 0.904 153 N CB 1.102 39.421 38.487 -0.281 0.000 1.065 153 N HN 0.303 8.770 8.380 0.145 0.000 0.462 154 P HA -0.141 4.275 4.420 -0.008 0.000 0.219 154 P C 1.112 178.304 177.300 -0.179 0.000 1.146 154 P CA 2.169 65.245 63.100 -0.040 0.000 0.808 154 P CB 0.460 32.167 31.700 0.011 0.000 0.779 155 L N -3.443 117.615 121.223 -0.274 0.000 2.131 155 L HA -0.386 3.727 4.340 -0.378 0.000 0.210 155 L C 1.591 178.087 176.870 -0.623 0.000 1.092 155 L CA 2.947 57.544 54.840 -0.405 0.000 0.759 155 L CB -0.564 41.253 42.059 -0.403 0.000 0.903 155 L HN 0.151 8.556 8.230 -0.236 -0.316 0.435 156 N N -1.828 116.451 118.700 -0.702 0.000 2.250 156 N HA -0.208 3.228 4.740 -2.173 0.000 0.181 156 N C 1.957 177.185 175.510 -0.469 0.000 1.017 156 N CA 2.409 54.825 53.050 -1.056 0.000 0.866 156 N CB -0.237 37.847 38.487 -0.672 0.000 0.985 156 N HN -0.604 7.348 8.380 -0.508 0.122 0.429 157 M N 0.277 119.753 119.600 -0.205 0.000 2.064 157 M HA -0.317 4.157 4.480 -0.010 0.000 0.260 157 M C 2.034 178.309 176.300 -0.041 0.000 1.073 157 M CA 4.669 59.937 55.300 -0.054 0.000 1.124 157 M CB 0.310 32.915 32.600 0.008 0.000 1.326 157 M HN -0.631 7.538 8.290 -0.202 0.000 0.410 158 V N -2.695 117.175 119.914 -0.074 0.000 2.427 158 V HA -0.376 3.747 4.120 0.004 0.000 0.248 158 V C 2.113 178.196 176.094 -0.019 0.000 1.051 158 V CA 4.190 66.467 62.300 -0.038 0.000 1.048 158 V CB -1.199 30.581 31.823 -0.072 0.000 0.666 158 V HN -0.039 8.087 8.190 -0.106 0.000 0.456 159 G N -1.363 107.389 108.800 -0.080 0.000 2.440 159 G HA2 -0.331 3.781 3.960 0.076 0.000 0.218 159 G HA3 -0.331 3.681 3.960 0.087 0.000 0.218 159 G C 1.171 176.229 174.900 0.263 0.000 1.154 159 G CA 2.504 47.654 45.100 0.084 0.000 0.767 159 G HN -0.427 7.732 8.290 -0.195 0.014 0.552 160 T N 4.868 119.585 114.554 0.271 0.000 2.746 160 T HA -0.361 4.202 4.350 0.356 0.000 0.267 160 T C 1.526 176.340 174.700 0.189 0.000 1.039 160 T CA 5.372 67.645 62.100 0.289 0.000 1.142 160 T CB -0.188 68.829 68.868 0.248 0.000 0.866 160 T HN -0.575 7.754 8.240 0.148 0.000 0.444 161 L N 0.949 122.250 121.223 0.130 0.000 2.046 161 L HA -0.241 4.173 4.340 0.125 0.000 0.208 161 L C 1.249 178.226 176.870 0.177 0.000 1.077 161 L CA 3.368 58.286 54.840 0.131 0.000 0.747 161 L CB -0.299 41.812 42.059 0.087 0.000 0.896 161 L HN -0.619 7.672 8.230 0.102 0.000 0.432 162 V N -1.198 118.794 119.914 0.128 0.000 2.427 162 V HA -0.500 3.676 4.120 0.094 0.000 0.248 162 V C 1.961 178.116 176.094 0.101 0.000 1.051 162 V CA 3.731 66.090 62.300 0.099 0.000 1.048 162 V CB -1.072 30.788 31.823 0.062 0.000 0.666 162 V HN -0.109 8.150 8.190 0.114 0.000 0.456 163 A N 0.130 123.027 122.820 0.128 0.000 1.930 163 A HA -0.220 4.135 4.320 0.058 0.000 0.217 163 A C 1.610 179.256 177.584 0.103 0.000 1.175 163 A CA 2.841 54.937 52.037 0.097 0.000 0.627 163 A CB -0.782 18.279 19.000 0.101 0.000 0.815 163 A HN -0.461 7.765 8.150 0.151 0.014 0.443 164 F N 0.246 120.211 119.950 0.026 0.000 2.134 164 F HA -0.300 4.230 4.527 0.006 0.000 0.299 164 F C 2.225 178.029 175.800 0.007 0.000 1.097 164 F CA 3.444 61.452 58.000 0.012 0.000 1.264 164 F CB 0.388 39.395 39.000 0.011 0.000 1.001 164 F HN -0.612 7.869 8.300 0.303 0.000 0.479 165 L N -1.709 119.577 121.223 0.105 0.000 2.191 165 L HA -0.378 3.934 4.340 -0.046 0.000 0.212 165 L C 1.360 178.177 176.870 -0.089 0.000 1.103 165 L CA 2.413 57.252 54.840 -0.002 0.000 0.769 165 L CB -0.284 41.822 42.059 0.078 0.000 0.908 165 L HN -0.019 8.342 8.230 0.218 0.000 0.438 166 K N -3.470 116.890 120.400 -0.067 0.000 2.458 166 K HA 0.013 4.297 4.320 -0.061 0.000 0.194 166 K C 0.359 176.892 176.600 -0.111 0.000 1.024 166 K CA -0.291 55.956 56.287 -0.068 0.000 1.108 166 K CB 0.004 32.487 32.500 -0.029 0.000 0.846 166 K HN -0.545 7.550 8.250 -0.030 0.137 0.518 167 G N -0.646 108.033 108.800 -0.202 0.000 2.203 167 G HA2 -0.439 3.407 3.960 -0.190 0.000 0.263 167 G HA3 -0.439 3.317 3.960 -0.339 0.000 0.263 167 G C 0.036 174.858 174.900 -0.131 0.000 1.012 167 G CA 0.778 45.743 45.100 -0.225 0.000 0.749 167 G HN -0.376 7.561 8.290 -0.261 0.197 0.512 168 Q N -1.247 118.500 119.800 -0.089 0.000 2.417 168 Q HA -0.093 4.219 4.340 -0.046 0.000 0.241 168 Q C -0.155 175.830 176.000 -0.025 0.000 1.008 168 Q CA -0.086 55.691 55.803 -0.044 0.000 0.901 168 Q CB 1.523 30.249 28.738 -0.019 0.000 1.259 168 Q HN -0.556 7.613 8.270 -0.093 0.046 0.489 169 K N 1.553 121.940 120.400 -0.022 0.000 2.378 169 K HA -0.101 4.215 4.320 -0.007 0.000 0.288 169 K C -0.216 176.380 176.600 -0.007 0.000 1.057 169 K CA 0.380 56.659 56.287 -0.014 0.000 0.971 169 K CB -0.523 31.963 32.500 -0.024 0.000 0.975 169 K HN 0.256 8.489 8.250 -0.029 0.000 0.475 170 I N 5.721 126.301 120.570 0.016 0.000 2.555 170 I HA 0.097 4.261 4.170 -0.010 0.000 0.275 170 I C -1.028 175.095 176.117 0.011 0.000 1.082 170 I CA -1.109 60.202 61.300 0.018 0.000 1.167 170 I CB 0.082 38.123 38.000 0.069 0.000 1.312 170 I HN 0.226 8.452 8.210 0.026 0.000 0.493 171 E N 7.530 127.723 120.200 -0.012 0.000 2.376 171 E HA -0.104 4.244 4.350 -0.004 0.000 0.266 171 E C -1.351 175.250 176.600 0.001 0.000 1.009 171 E CA 0.038 56.433 56.400 -0.010 0.000 0.902 171 E CB 0.873 30.560 29.700 -0.022 0.000 0.972 171 E HN 0.046 8.390 8.360 -0.027 0.000 0.439 172 L N 4.290 125.517 121.223 0.006 0.000 2.334 172 L HA 0.323 4.858 4.340 0.022 -0.182 0.272 172 L C 0.186 177.056 176.870 -0.001 0.000 1.020 172 L CA -1.699 53.147 54.840 0.010 0.000 0.812 172 L CB 1.954 44.018 42.059 0.008 0.000 1.264 172 L HN 0.154 8.386 8.230 0.003 0.000 0.439 173 D N 0.994 121.392 120.400 -0.004 0.000 2.469 173 D HA 0.056 4.679 4.640 -0.029 0.000 0.278 173 D C 0.973 177.254 176.300 -0.032 0.000 1.231 173 D CA -1.690 52.294 54.000 -0.027 0.000 1.075 173 D CB 0.519 41.291 40.800 -0.047 0.000 1.121 173 D HN 0.023 8.395 8.370 0.004 0.000 0.571 174 E N -2.642 117.526 120.200 -0.053 0.000 2.418 174 E HA -0.089 4.243 4.350 -0.030 0.000 0.197 174 E C -0.185 176.398 176.600 -0.028 0.000 1.026 174 E CA 1.848 58.223 56.400 -0.042 0.000 0.862 174 E CB -0.123 29.542 29.700 -0.059 0.000 0.799 174 E HN 0.251 8.566 8.360 -0.075 0.000 0.518 175 V N -7.628 112.272 119.914 -0.023 0.000 2.909 175 V HA 0.497 4.644 4.120 0.045 0.000 0.362 175 V C -0.628 175.528 176.094 0.103 0.000 1.356 175 V CA -1.853 60.468 62.300 0.036 0.000 1.195 175 V CB -0.868 30.933 31.823 -0.036 0.000 1.256 175 V HN -0.160 8.286 8.190 -0.039 -0.279 0.567 176 G N 1.497 110.317 108.800 0.032 0.000 2.143 176 G HA2 -0.458 3.512 3.960 0.017 0.000 0.249 176 G HA3 -0.458 3.505 3.960 0.005 0.000 0.249 176 G C -1.320 173.563 174.900 -0.029 0.000 0.981 176 G CA 0.528 45.633 45.100 0.009 0.000 0.665 176 G HN -0.238 8.036 8.290 0.011 0.023 0.528 177 R N 0.272 120.740 120.500 -0.053 0.000 2.312 177 R HA 0.659 5.122 4.340 -0.165 -0.222 0.311 177 R C -2.098 174.243 176.300 0.068 0.000 1.004 177 R CA -3.474 52.555 56.100 -0.119 0.000 0.902 177 R CB 0.500 30.585 30.300 -0.357 0.000 1.073 177 R HN -0.555 7.971 8.270 -0.037 -0.278 0.457 178 P HA -0.181 4.483 4.420 0.100 -0.184 0.257 178 P C 0.309 177.740 177.300 0.218 0.000 1.189 178 P CA 0.415 63.640 63.100 0.207 0.000 0.780 178 P CB -0.030 31.855 31.700 0.308 0.000 0.772 179 V N 5.817 125.776 119.914 0.075 0.000 2.568 179 V HA -0.433 3.758 4.120 0.119 0.000 0.253 179 V C 1.563 177.627 176.094 -0.050 0.000 1.072 179 V CA 3.885 66.215 62.300 0.049 0.000 1.084 179 V CB -0.468 31.356 31.823 0.003 0.000 0.676 179 V HN -0.005 8.211 8.190 0.043 0.000 0.469 180 M N -3.495 115.969 119.600 -0.228 0.000 2.358 180 M HA -0.338 3.970 4.480 -0.285 0.000 0.264 180 M C 0.574 176.566 176.300 -0.513 0.000 1.064 180 M CA 3.202 58.234 55.300 -0.447 0.000 1.093 180 M CB -0.375 31.804 32.600 -0.701 0.000 1.401 180 M HN -0.243 7.891 8.290 -0.221 0.023 0.440 181 F N -5.751 114.172 119.950 -0.045 0.000 2.711 181 F HA 0.071 4.435 4.527 -0.272 0.000 0.296 181 F C 0.218 175.752 175.800 -0.442 0.000 1.096 181 F CA 0.183 58.000 58.000 -0.304 0.000 1.280 181 F CB 2.009 40.714 39.000 -0.492 0.000 1.060 181 F HN -0.662 7.406 8.300 -0.149 0.142 0.608 182 F N -4.910 115.148 119.950 0.180 0.000 2.668 182 F HA 0.310 4.947 4.527 0.183 0.000 0.301 182 F C 0.470 176.365 175.800 0.159 0.000 1.106 182 F CA -0.390 57.714 58.000 0.173 0.000 1.289 182 F CB 0.152 39.256 39.000 0.174 0.000 1.006 182 F HN -0.265 8.245 8.300 0.350 0.000 0.535 183 G N -2.421 106.504 108.800 0.210 0.000 2.712 183 G HA2 -0.117 3.981 3.960 0.087 0.000 0.212 183 G HA3 -0.117 3.929 3.960 0.144 0.000 0.212 183 G C -0.803 174.221 174.900 0.207 0.000 1.142 183 G CA 0.275 45.468 45.100 0.154 0.000 0.789 183 G HN -0.618 7.693 8.290 0.136 0.060 0.535 184 Q N -1.229 118.698 119.800 0.212 0.000 2.387 184 Q HA 0.269 4.753 4.340 0.241 0.000 0.273 184 Q C -1.132 174.923 176.000 0.092 0.000 1.089 184 Q CA -2.061 53.847 55.803 0.176 0.000 0.824 184 Q CB 3.615 32.373 28.738 0.033 0.000 1.367 184 Q HN -0.593 7.739 8.270 0.169 0.039 0.443 185 S N 0.593 116.203 115.700 -0.149 0.000 2.576 185 S HA -0.009 4.087 4.470 -0.860 -0.142 0.276 185 S C 1.465 175.925 174.600 -0.234 0.000 1.339 185 S CA -0.606 57.275 58.200 -0.531 0.000 1.039 185 S CB 1.051 63.894 63.200 -0.594 0.000 0.902 185 S HN 0.483 8.772 8.310 -0.036 0.000 0.516 186 V N 2.782 122.576 119.914 -0.200 0.000 2.278 186 V HA -0.441 3.572 4.120 -0.178 0.000 0.251 186 V C 2.173 178.235 176.094 -0.053 0.000 1.062 186 V CA 4.114 66.347 62.300 -0.113 0.000 1.038 186 V CB -0.632 31.200 31.823 0.014 0.000 0.646 186 V HN 0.416 8.458 8.190 -0.246 0.000 0.447 187 H N 0.119 119.117 119.070 -0.120 0.000 2.353 187 H HA -0.299 4.235 4.556 -0.038 0.000 0.300 187 H C 2.191 177.437 175.328 -0.136 0.000 1.090 187 H CA 3.416 59.395 56.048 -0.115 0.000 1.327 187 H CB 0.131 29.773 29.762 -0.200 0.000 1.383 187 H HN -0.671 7.615 8.280 0.029 0.011 0.508 188 D N -1.388 118.917 120.400 -0.158 0.000 2.218 188 D HA -0.174 4.307 4.640 -0.265 0.000 0.204 188 D C 1.461 177.647 176.300 -0.189 0.000 0.976 188 D CA 2.937 56.822 54.000 -0.192 0.000 0.853 188 D CB -0.252 40.493 40.800 -0.092 0.000 0.939 188 D HN -0.281 8.036 8.370 -0.087 0.000 0.481 189 L N -3.808 117.307 121.223 -0.180 0.000 2.558 189 L HA -0.013 4.230 4.340 -0.163 0.000 0.225 189 L C -0.326 176.435 176.870 -0.182 0.000 1.128 189 L CA -0.249 54.477 54.840 -0.190 0.000 0.868 189 L CB 0.399 42.313 42.059 -0.241 0.000 1.006 189 L HN -0.924 7.061 8.230 -0.174 0.140 0.454 190 C N 1.074 120.294 119.300 -0.133 0.000 2.632 190 C HA 0.044 4.559 4.460 0.092 0.000 0.415 190 C C 1.938 176.963 174.990 0.057 0.000 1.332 190 C CA -0.818 58.230 59.018 0.049 0.000 1.874 190 C CB 1.349 29.204 27.740 0.191 0.000 2.596 190 C HN -0.513 7.426 8.230 -0.171 0.189 0.590 191 E N 8.829 129.130 120.200 0.170 0.000 2.409 191 E HA -0.238 4.148 4.350 0.060 0.000 0.198 191 E C -0.043 176.642 176.600 0.142 0.000 1.024 191 E CA 2.008 58.488 56.400 0.134 0.000 0.861 191 E CB -0.847 28.964 29.700 0.184 0.000 0.788 191 E HN 0.612 9.136 8.360 0.272 0.000 0.521 192 R N -2.005 118.618 120.500 0.205 0.000 2.359 192 R HA 0.282 4.799 4.340 0.295 0.000 0.231 192 R C 0.376 176.767 176.300 0.152 0.000 0.913 192 R CA -0.647 55.608 56.100 0.257 0.000 1.075 192 R CB 0.167 30.669 30.300 0.336 0.000 1.087 192 R HN -0.802 7.569 8.270 0.245 0.046 0.515 193 R N 0.801 121.309 120.500 0.013 0.000 2.105 193 R HA -0.402 3.894 4.340 -0.073 0.000 0.239 193 R C 1.027 177.309 176.300 -0.030 0.000 1.135 193 R CA 3.989 60.033 56.100 -0.094 0.000 0.967 193 R CB -0.064 30.057 30.300 -0.298 0.000 0.861 193 R HN -0.505 7.691 8.270 0.000 0.074 0.442 194 K N -3.358 116.970 120.400 -0.120 0.000 2.103 194 K HA -0.288 3.950 4.320 -0.138 0.000 0.207 194 K C 1.781 178.228 176.600 -0.255 0.000 1.048 194 K CA 2.943 59.108 56.287 -0.203 0.000 0.930 194 K CB -0.907 31.412 32.500 -0.301 0.000 0.716 194 K HN 0.247 8.405 8.250 -0.126 0.016 0.444 195 H N 0.356 119.345 119.070 -0.134 0.000 2.363 195 H HA -0.025 4.413 4.556 -0.458 -0.157 0.301 195 H C 2.369 177.466 175.328 -0.385 0.000 1.074 195 H CA 2.790 58.631 56.048 -0.345 0.000 1.354 195 H CB 0.045 29.589 29.762 -0.364 0.000 1.397 195 H HN -0.643 7.401 8.280 -0.183 0.126 0.516 196 F N 1.859 121.704 119.950 -0.175 0.000 2.065 196 F HA -0.496 3.830 4.527 -0.334 0.000 0.298 196 F C 2.224 177.921 175.800 -0.172 0.000 1.112 196 F CA 3.725 61.636 58.000 -0.147 0.000 1.212 196 F CB 0.065 39.180 39.000 0.192 0.000 0.975 196 F HN -0.494 7.942 8.300 0.227 0.000 0.476 197 D N -0.007 120.475 120.400 0.136 0.000 2.219 197 D HA -0.210 4.500 4.640 0.116 0.000 0.205 197 D C 1.074 177.305 176.300 -0.116 0.000 0.970 197 D CA 2.884 56.920 54.000 0.059 0.000 0.851 197 D CB -0.485 40.360 40.800 0.075 0.000 0.943 197 D HN -0.286 8.201 8.370 0.196 0.000 0.488 198 A N -3.244 119.450 122.820 -0.209 0.000 2.251 198 A HA 0.102 4.310 4.320 -0.186 0.000 0.209 198 A C 0.271 177.647 177.584 -0.346 0.000 1.187 198 A CA 0.004 51.889 52.037 -0.253 0.000 0.823 198 A CB 0.001 18.833 19.000 -0.280 0.000 0.846 198 A HN -0.558 7.330 8.150 -0.213 0.134 0.486 199 G N -1.096 107.420 108.800 -0.474 0.000 2.221 199 G HA2 -0.434 3.356 3.960 -0.284 0.000 0.265 199 G HA3 -0.434 3.189 3.960 -0.684 -0.073 0.265 199 G C -0.712 173.661 174.900 -0.878 0.000 1.041 199 G CA 0.072 44.823 45.100 -0.582 0.000 0.807 199 G HN -0.444 7.356 8.290 -0.462 0.212 0.502 200 E N 0.973 120.512 120.200 -1.102 0.000 2.035 200 E HA 0.211 4.048 4.350 -0.856 0.000 0.271 200 E C -1.523 174.614 176.600 -0.771 0.000 0.953 200 E CA -1.493 54.239 56.400 -1.113 0.000 0.777 200 E CB 0.778 29.408 29.700 -1.783 0.000 1.104 200 E HN 0.292 7.932 8.360 -1.015 0.111 0.408 201 F N 3.084 123.113 119.950 0.133 0.000 2.532 201 F HA 0.343 5.133 4.527 0.207 -0.138 0.321 201 F C 0.021 175.991 175.800 0.283 0.000 1.089 201 F CA -1.919 56.206 58.000 0.210 0.000 0.926 201 F CB 3.187 42.256 39.000 0.114 0.000 1.168 201 F HN -0.196 8.172 8.300 0.113 0.000 0.459 202 A N 3.564 126.604 122.820 0.365 0.000 2.409 202 A HA 0.304 4.703 4.320 0.132 0.000 0.267 202 A C -1.540 176.080 177.584 0.061 0.000 1.127 202 A CA -2.323 49.800 52.037 0.142 0.000 0.795 202 A CB -0.148 18.865 19.000 0.021 0.000 1.061 202 A HN 0.351 8.726 8.150 0.374 0.000 0.502 203 P HA 0.063 4.482 4.420 -0.003 0.000 0.235 203 P C -1.156 176.079 177.300 -0.110 0.000 1.177 203 P CA 0.279 63.366 63.100 -0.021 0.000 0.785 203 P CB 0.733 32.438 31.700 0.007 0.000 0.885 204 S N -2.612 112.983 115.700 -0.176 0.000 2.611 204 S HA 0.037 4.313 4.470 -0.323 0.000 0.268 204 S C -1.324 173.099 174.600 -0.295 0.000 1.156 204 S CA -0.483 57.576 58.200 -0.235 0.000 0.817 204 S CB 1.237 64.380 63.200 -0.094 0.000 1.122 204 S HN -0.930 7.238 8.310 -0.156 0.048 0.466 205 F N -1.937 117.990 119.950 -0.039 0.000 2.293 205 F HA -0.149 4.359 4.527 -0.032 0.000 0.297 205 F C 1.169 176.944 175.800 -0.042 0.000 1.089 205 F CA 2.079 60.054 58.000 -0.042 0.000 1.377 205 F CB 0.335 39.298 39.000 -0.061 0.000 1.051 205 F HN -0.058 8.203 8.300 -0.065 0.000 0.511 206 N N 0.698 119.459 118.700 0.103 0.000 3.188 206 N HA 0.031 4.798 4.740 0.044 0.000 0.279 206 N C -1.541 173.964 175.510 -0.007 0.000 1.213 206 N CA -0.382 52.693 53.050 0.041 0.000 1.138 206 N CB -1.006 37.499 38.487 0.029 0.000 1.417 206 N HN -0.145 8.296 8.380 0.101 0.000 0.526 207 S N 1.336 117.018 115.700 -0.030 0.000 2.579 207 S HA 0.254 4.687 4.470 -0.060 0.000 0.272 207 S C 0.090 174.623 174.600 -0.111 0.000 1.141 207 S CA -1.063 57.096 58.200 -0.068 0.000 0.843 207 S CB 2.858 66.012 63.200 -0.075 0.000 1.122 207 S HN -0.549 7.703 8.310 -0.019 0.046 0.468 208 E N 2.023 122.133 120.200 -0.151 0.000 2.110 208 E HA -0.375 3.867 4.350 -0.180 0.000 0.193 208 E C 1.407 177.783 176.600 -0.374 0.000 0.988 208 E CA 3.939 60.206 56.400 -0.222 0.000 0.804 208 E CB 0.022 29.590 29.700 -0.220 0.000 0.745 208 E HN 0.596 8.876 8.360 -0.133 0.000 0.458 209 E N -1.018 118.922 120.200 -0.433 0.000 2.077 209 E HA -0.298 3.278 4.350 -1.290 0.000 0.193 209 E C 1.770 178.128 176.600 -0.403 0.000 0.989 209 E CA 3.272 59.258 56.400 -0.690 0.000 0.800 209 E CB -1.009 28.500 29.700 -0.319 0.000 0.746 209 E HN 0.039 8.185 8.360 -0.316 0.024 0.452 210 A N -0.792 121.918 122.820 -0.182 0.000 1.898 210 A HA -0.209 4.096 4.320 -0.025 0.000 0.216 210 A C 2.213 179.752 177.584 -0.077 0.000 1.181 210 A CA 2.768 54.764 52.037 -0.068 0.000 0.620 210 A CB -0.555 18.437 19.000 -0.014 0.000 0.819 210 A HN -0.622 7.427 8.150 -0.168 0.000 0.442 211 R N -0.586 119.844 120.500 -0.118 0.000 2.105 211 R HA -0.259 4.050 4.340 -0.052 0.000 0.239 211 R C 1.831 178.056 176.300 -0.126 0.000 1.135 211 R CA 2.588 58.629 56.100 -0.099 0.000 0.967 211 R CB 0.139 30.378 30.300 -0.102 0.000 0.861 211 R HN -0.485 7.703 8.270 -0.137 0.000 0.442 212 K N -4.624 115.630 120.400 -0.245 0.000 2.487 212 K HA 0.001 4.244 4.320 -0.128 0.000 0.192 212 K C -0.515 176.015 176.600 -0.117 0.000 1.027 212 K CA -0.136 56.015 56.287 -0.227 0.000 1.054 212 K CB 0.086 32.333 32.500 -0.422 0.000 0.824 212 K HN -0.444 7.601 8.250 -0.342 0.000 0.510 213 G N -1.625 107.125 108.800 -0.082 0.000 2.149 213 G HA2 -0.262 3.747 3.960 0.080 0.000 0.235 213 G HA3 -0.262 3.726 3.960 0.046 0.000 0.235 213 G C 0.064 175.019 174.900 0.091 0.000 1.018 213 G CA -0.015 45.109 45.100 0.040 0.000 0.728 213 G HN -0.548 7.468 8.290 -0.117 0.204 0.508 214 W N -1.766 119.373 121.300 -0.268 0.000 1.966 214 W HA -0.036 4.150 4.660 -0.790 0.000 0.367 214 W C -0.485 175.991 176.519 -0.071 0.000 1.451 214 W CA -2.076 55.040 57.345 -0.381 0.000 1.538 214 W CB 0.387 29.664 29.460 -0.305 0.000 1.251 214 W HN -0.160 8.033 8.180 0.022 0.000 0.671 215 C N -1.431 118.013 119.300 0.241 0.000 2.676 215 C HA -0.005 4.654 4.460 0.332 0.000 0.416 215 C C 0.263 175.495 174.990 0.403 0.000 1.299 215 C CA 0.316 59.544 59.018 0.350 0.000 2.048 215 C CB 0.324 28.311 27.740 0.412 0.000 2.713 215 C HN -0.051 8.258 8.230 0.132 0.000 0.624 216 L N 4.177 125.618 121.223 0.363 0.000 2.700 216 L HA 0.176 4.624 4.340 0.180 0.000 0.234 216 L C 0.993 178.015 176.870 0.253 0.000 1.156 216 L CA -0.358 54.628 54.840 0.243 0.000 0.946 216 L CB -0.631 41.530 42.059 0.170 0.000 1.216 216 L HN 0.280 8.735 8.230 0.376 0.000 0.493 217 Y N 2.168 122.641 120.300 0.288 0.000 2.165 217 Y HA -0.452 4.204 4.550 0.176 0.000 0.286 217 Y C 1.041 176.947 175.900 0.010 0.000 1.155 217 Y CA 4.060 62.269 58.100 0.182 0.000 1.164 217 Y CB 0.108 38.728 38.460 0.267 0.000 0.978 217 Y HN -0.854 7.751 8.280 0.664 0.074 0.513 218 D N -3.926 116.492 120.400 0.031 0.000 2.347 218 D HA -0.100 4.435 4.640 -0.174 0.000 0.215 218 D C 0.776 177.009 176.300 -0.111 0.000 0.976 218 D CA 2.439 56.374 54.000 -0.108 0.000 0.884 218 D CB -0.243 40.503 40.800 -0.091 0.000 0.915 218 D HN 0.282 8.735 8.370 0.171 0.020 0.526 219 V N -8.778 111.080 119.914 -0.093 0.000 3.177 219 V HA 0.376 4.450 4.120 -0.077 0.000 0.342 219 V C -0.211 175.908 176.094 0.042 0.000 1.379 219 V CA -1.972 60.272 62.300 -0.094 0.000 1.191 219 V CB -1.544 30.044 31.823 -0.392 0.000 1.167 219 V HN -0.585 7.417 8.190 -0.048 0.160 0.471 220 G N -1.032 107.730 108.800 -0.063 0.000 2.192 220 G HA2 -0.326 3.846 3.960 -0.010 0.000 0.193 220 G HA3 -0.326 3.586 3.960 -0.141 -0.036 0.193 220 G C -1.213 173.635 174.900 -0.087 0.000 0.999 220 G CA -0.165 44.887 45.100 -0.080 0.000 0.659 220 G HN -0.510 7.514 8.290 -0.140 0.182 0.503 221 C N 1.880 121.157 119.300 -0.039 0.000 2.596 221 C HA -0.142 4.505 4.460 0.069 -0.146 0.414 221 C C 1.031 176.052 174.990 0.051 0.000 1.396 221 C CA 0.331 59.384 59.018 0.060 0.000 1.698 221 C CB -0.927 26.918 27.740 0.176 0.000 2.572 221 C HN -0.466 7.747 8.230 -0.028 0.000 0.604 222 K N 7.165 127.611 120.400 0.077 0.000 2.372 222 K HA 0.261 4.620 4.320 0.065 0.000 0.200 222 K C 1.581 178.228 176.600 0.078 0.000 1.022 222 K CA -1.103 55.228 56.287 0.073 0.000 1.125 222 K CB -0.683 31.861 32.500 0.072 0.000 0.855 222 K HN -0.214 8.087 8.250 0.084 0.000 0.524 223 G N 1.489 110.361 108.800 0.121 0.000 2.606 223 G HA2 -0.252 3.831 3.960 0.204 0.000 0.221 223 G HA3 -0.252 3.781 3.960 0.122 0.000 0.221 223 G C -0.934 173.979 174.900 0.022 0.000 1.152 223 G CA 3.118 48.294 45.100 0.127 0.000 0.765 223 G HN -0.421 7.886 8.290 0.151 0.073 0.595 224 P HA -0.107 4.183 4.420 -0.217 0.000 0.225 224 P C -0.221 177.022 177.300 -0.095 0.000 1.148 224 P CA 1.369 64.350 63.100 -0.198 0.000 0.779 224 P CB -0.188 31.306 31.700 -0.344 0.000 0.780 225 E N -6.126 114.058 120.200 -0.026 0.000 2.498 225 E HA 0.158 4.558 4.350 0.084 0.000 0.203 225 E C -0.800 175.822 176.600 0.036 0.000 1.013 225 E CA -0.785 55.642 56.400 0.044 0.000 0.927 225 E CB 0.919 30.670 29.700 0.084 0.000 1.012 225 E HN -0.263 7.947 8.360 -0.002 0.149 0.482 226 T N 3.132 117.608 114.554 -0.129 0.000 2.812 226 T HA 0.288 4.836 4.350 0.092 -0.144 0.282 226 T C -2.249 172.287 174.700 -0.274 0.000 0.990 226 T CA -0.162 61.901 62.100 -0.062 0.000 0.960 226 T CB 1.769 70.631 68.868 -0.009 0.000 0.948 226 T HN -0.627 7.436 8.240 -0.187 0.065 0.438 227 Y N 6.317 126.686 120.300 0.114 0.000 2.342 227 Y HA 0.179 4.935 4.550 0.124 -0.131 0.338 227 Y C -0.993 175.075 175.900 0.280 0.000 0.965 227 Y CA -0.517 57.684 58.100 0.168 0.000 1.159 227 Y CB 1.080 39.645 38.460 0.175 0.000 1.157 227 Y HN 0.266 9.056 8.280 0.372 -0.287 0.486 228 N N 1.779 120.601 118.700 0.203 0.000 3.501 228 N HA 0.042 4.752 4.740 -0.049 0.000 0.235 228 N C -2.409 173.021 175.510 -0.133 0.000 1.442 228 N CA 0.187 53.260 53.050 0.039 0.000 0.872 228 N CB 3.842 42.390 38.487 0.101 0.000 1.414 228 N HN -0.510 7.928 8.380 0.097 0.000 0.485 229 N N -1.580 116.966 118.700 -0.256 0.000 2.234 229 N HA 0.300 4.900 4.740 -0.234 0.000 0.227 229 N C 0.780 176.073 175.510 -0.362 0.000 1.151 229 N CA -0.329 52.557 53.050 -0.273 0.000 0.865 229 N CB -0.899 37.440 38.487 -0.247 0.000 1.066 229 N HN 0.237 8.429 8.380 -0.313 0.000 0.515 230 C N -0.377 118.711 119.300 -0.355 0.000 2.385 230 C HA -0.181 3.971 4.460 -0.512 0.000 0.275 230 C C 0.137 174.679 174.990 -0.747 0.000 1.207 230 C CA 4.149 62.920 59.018 -0.412 0.000 1.760 230 C CB -2.295 25.472 27.740 0.046 0.000 2.051 230 C HN 0.481 8.493 8.230 -0.250 0.068 0.467 231 P HA -0.118 2.944 4.420 -2.264 0.000 0.225 231 P C -0.105 176.806 177.300 -0.648 0.000 1.156 231 P CA 1.200 63.412 63.100 -1.479 0.000 0.787 231 P CB -0.574 30.318 31.700 -1.347 0.000 0.802 232 K N -2.668 117.455 120.400 -0.462 0.000 2.044 232 K HA -0.158 4.023 4.320 -0.231 0.000 0.204 232 K C 1.207 177.669 176.600 -0.230 0.000 1.045 232 K CA 2.181 58.302 56.287 -0.277 0.000 0.951 232 K CB 0.941 33.308 32.500 -0.221 0.000 0.738 232 K HN -0.539 7.377 8.250 -0.493 0.038 0.443 233 V N -6.594 113.156 119.914 -0.275 0.000 3.471 233 V HA 0.115 4.144 4.120 -0.150 0.000 0.258 233 V C -0.327 175.642 176.094 -0.209 0.000 1.192 233 V CA 0.132 62.302 62.300 -0.217 0.000 1.116 233 V CB 1.203 32.880 31.823 -0.245 0.000 0.792 233 V HN -0.406 7.583 8.190 -0.334 0.000 0.459 234 L N -4.139 116.914 121.223 -0.284 0.000 0.587 234 L HA -0.490 3.894 4.340 -0.105 -0.107 0.356 234 L C -0.618 176.071 176.870 -0.302 0.000 0.981 234 L CA 0.932 55.673 54.840 -0.164 0.000 1.223 234 L CB -0.893 41.166 42.059 0.001 0.000 0.020 234 L HN -0.703 7.312 8.230 -0.357 0.000 0.091 235 F N -0.281 119.723 119.950 0.090 0.000 2.450 235 F HA 0.195 4.770 4.527 0.079 0.000 0.332 235 F C 0.317 176.156 175.800 0.064 0.000 1.093 235 F CA -0.248 57.802 58.000 0.083 0.000 1.003 235 F CB 2.121 41.175 39.000 0.090 0.000 1.151 235 F HN 0.181 8.671 8.300 0.316 0.000 0.474 236 N N 0.709 119.544 118.700 0.225 0.000 2.721 236 N HA -0.378 4.398 4.740 0.061 0.000 0.249 236 N C -1.111 174.380 175.510 -0.031 0.000 1.072 236 N CA 0.717 53.820 53.050 0.088 0.000 0.710 236 N CB -1.375 37.176 38.487 0.108 0.000 0.993 236 N HN 0.705 9.245 8.380 0.266 0.000 0.547 237 E N -8.408 111.751 120.200 -0.069 0.000 2.971 237 E HA -0.505 3.811 4.350 -0.056 0.000 0.271 237 E C -0.588 176.001 176.600 -0.018 0.000 1.053 237 E CA 1.682 58.017 56.400 -0.109 0.000 0.817 237 E CB -1.591 27.926 29.700 -0.306 0.000 1.410 237 E HN 0.314 8.658 8.360 0.001 0.017 0.445 238 T N -4.308 110.278 114.554 0.052 0.000 3.207 238 T HA 0.120 4.503 4.350 0.055 0.000 0.277 238 T C -0.931 173.849 174.700 0.132 0.000 0.865 238 T CA 0.419 62.561 62.100 0.070 0.000 0.857 238 T CB 1.453 70.346 68.868 0.041 0.000 1.240 238 T HN 0.222 8.376 8.240 0.087 0.138 0.618 239 N N 0.528 119.351 118.700 0.205 0.000 3.116 239 N HA 0.165 5.076 4.740 0.285 0.000 0.244 239 N C -2.604 173.193 175.510 0.478 0.000 1.485 239 N CA -0.442 52.773 53.050 0.275 0.000 0.884 239 N CB 1.975 40.561 38.487 0.165 0.000 1.415 239 N HN -0.515 7.995 8.380 0.217 0.000 0.524 240 W N -2.250 119.146 121.300 0.160 0.000 3.025 240 W HA 0.574 5.411 4.660 0.296 0.000 0.343 240 W C -2.669 173.925 176.519 0.126 0.000 1.246 240 W CA -1.755 55.722 57.345 0.220 0.000 1.178 240 W CB -0.457 29.154 29.460 0.251 0.000 1.463 240 W HN -0.174 8.197 8.180 0.318 0.000 0.578 241 P HA -0.345 3.991 4.420 -0.141 0.000 0.215 241 P C 0.963 177.990 177.300 -0.454 0.000 1.157 241 P CA 2.757 65.736 63.100 -0.203 0.000 0.874 241 P CB 0.111 31.764 31.700 -0.078 0.000 0.790 242 V N -3.556 115.726 119.914 -1.053 0.000 2.515 242 V HA -0.283 3.768 4.120 -0.403 -0.173 0.250 242 V C 2.690 178.414 176.094 -0.616 0.000 1.058 242 V CA 3.296 65.100 62.300 -0.828 0.000 1.064 242 V CB -0.646 30.563 31.823 -1.024 0.000 0.675 242 V HN 0.031 7.273 8.190 -1.579 0.000 0.461 243 A N -1.190 121.093 122.820 -0.895 0.000 2.067 243 A HA -0.174 4.034 4.320 -0.187 0.000 0.219 243 A C 0.054 177.543 177.584 -0.158 0.000 1.158 243 A CA 2.056 53.895 52.037 -0.330 0.000 0.661 243 A CB -0.594 18.319 19.000 -0.147 0.000 0.801 243 A HN -0.472 6.713 8.150 -1.586 0.014 0.452 244 A N -3.875 118.836 122.820 -0.183 0.000 2.337 244 A HA 0.044 4.338 4.320 -0.043 0.000 0.227 244 A C 0.278 177.845 177.584 -0.028 0.000 1.259 244 A CA -0.239 51.755 52.037 -0.072 0.000 0.870 244 A CB -0.140 18.824 19.000 -0.060 0.000 0.927 244 A HN -0.660 7.168 8.150 -0.289 0.149 0.497 245 G N -1.120 107.661 108.800 -0.032 0.000 2.162 245 G HA2 -0.410 3.598 3.960 0.079 0.000 0.260 245 G HA3 -0.410 3.633 3.960 0.063 -0.045 0.260 245 G C -1.239 173.758 174.900 0.162 0.000 0.976 245 G CA 0.187 45.326 45.100 0.064 0.000 0.655 245 G HN -0.319 7.693 8.290 -0.097 0.220 0.533 246 H N 1.347 120.420 119.070 0.006 0.000 2.469 246 H HA 0.479 5.158 4.556 0.205 0.000 0.342 246 H C -2.050 173.307 175.328 0.049 0.000 1.115 246 H CA -2.569 53.517 56.048 0.063 0.000 1.204 246 H CB 2.905 32.634 29.762 -0.056 0.000 1.492 246 H HN -0.578 7.701 8.280 0.079 0.049 0.499 247 P HA -0.103 4.379 4.420 0.105 0.000 0.269 247 P C -1.382 176.020 177.300 0.170 0.000 1.215 247 P CA -0.247 62.928 63.100 0.125 0.000 0.780 247 P CB 0.657 32.401 31.700 0.072 0.000 0.898 248 C N 1.097 120.461 119.300 0.106 0.000 2.653 248 C HA -0.020 4.479 4.460 0.064 0.000 0.421 248 C C 1.660 176.661 174.990 0.019 0.000 1.334 248 C CA 0.335 59.402 59.018 0.082 0.000 1.885 248 C CB 0.747 28.579 27.740 0.154 0.000 2.645 248 C HN -0.027 8.270 8.230 0.112 0.000 0.601 249 I N 2.132 122.645 120.570 -0.095 0.000 3.976 249 I HA 0.201 4.371 4.170 0.001 0.000 0.337 249 I C -0.206 175.863 176.117 -0.080 0.000 1.359 249 I CA -1.014 60.197 61.300 -0.148 0.000 1.098 249 I CB 0.201 37.834 38.000 -0.612 0.000 1.027 249 I HN 0.129 8.262 8.210 -0.128 0.000 0.394 250 G N 0.876 109.580 108.800 -0.160 0.000 2.272 250 G HA2 -0.337 3.575 3.960 -0.080 0.000 0.280 250 G HA3 -0.337 3.549 3.960 -0.124 0.000 0.280 250 G C 0.519 175.038 174.900 -0.635 0.000 1.067 250 G CA 0.856 45.833 45.100 -0.205 0.000 0.902 250 G HN -0.521 7.620 8.290 -0.120 0.077 0.500 251 C N -4.531 114.232 119.300 -0.896 0.000 2.539 251 C HA -0.068 2.169 4.460 -3.705 0.000 0.271 251 C C 0.306 174.837 174.990 -0.764 0.000 1.412 251 C CA -1.061 56.973 59.018 -1.641 0.000 1.729 251 C CB -1.888 25.292 27.740 -0.933 0.000 1.739 251 C HN 0.317 8.205 8.230 -0.570 0.000 0.570 252 S N -2.952 112.577 115.700 -0.284 0.000 2.572 252 S HA 0.079 4.660 4.470 0.068 -0.070 0.228 252 S C -0.489 174.179 174.600 0.113 0.000 0.963 252 S CA -0.752 57.469 58.200 0.036 0.000 0.939 252 S CB 0.366 63.711 63.200 0.241 0.000 0.804 252 S HN -0.355 7.741 8.310 -0.257 0.060 0.480 253 E N 2.885 123.102 120.200 0.028 0.000 2.191 253 E HA 0.459 4.833 4.350 0.041 0.000 0.278 253 E C -2.377 174.286 176.600 0.104 0.000 0.972 253 E CA -3.057 53.383 56.400 0.067 0.000 0.804 253 E CB 0.523 30.268 29.700 0.075 0.000 1.110 253 E HN -0.711 7.491 8.360 -0.135 0.078 0.394 254 P HA -0.072 4.246 4.420 -0.169 0.000 0.264 254 P C -0.691 176.624 177.300 0.025 0.000 1.183 254 P CA 0.636 63.579 63.100 -0.262 0.000 0.763 254 P CB 0.247 31.597 31.700 -0.583 0.000 0.807 255 N N -2.286 116.487 118.700 0.122 0.000 2.725 255 N HA -0.410 4.406 4.740 0.128 0.000 0.249 255 N C 0.586 176.145 175.510 0.081 0.000 1.103 255 N CA 1.380 54.491 53.050 0.102 0.000 0.707 255 N CB -1.211 37.306 38.487 0.051 0.000 1.043 255 N HN 0.466 8.953 8.380 0.178 0.000 0.553 256 F N -2.925 117.006 119.950 -0.031 0.000 2.293 256 F HA -0.172 4.329 4.527 -0.043 0.000 0.300 256 F C 1.126 176.882 175.800 -0.073 0.000 1.086 256 F CA 2.868 60.810 58.000 -0.097 0.000 1.375 256 F CB -0.814 38.078 39.000 -0.181 0.000 1.045 256 F HN -0.885 7.576 8.300 0.298 0.017 0.516 257 W N -1.762 119.177 121.300 -0.602 0.000 2.338 257 W HA -0.400 4.029 4.660 -0.384 0.000 0.304 257 W C 1.573 177.952 176.519 -0.235 0.000 1.212 257 W CA 3.088 60.169 57.345 -0.441 0.000 1.264 257 W CB -0.134 29.077 29.460 -0.416 0.000 1.142 257 W HN -0.126 7.477 8.180 -0.917 0.028 0.512 258 D N -4.162 116.268 120.400 0.050 0.000 2.324 258 D HA 0.100 4.730 4.640 -0.017 0.000 0.212 258 D C 0.850 177.134 176.300 -0.026 0.000 0.984 258 D CA 1.650 55.651 54.000 0.002 0.000 0.885 258 D CB 0.398 41.209 40.800 0.019 0.000 0.996 258 D HN -0.692 7.698 8.370 0.058 0.015 0.505 259 D N -1.732 118.669 120.400 0.001 0.000 2.333 259 D HA 0.010 4.647 4.640 -0.005 0.000 0.208 259 D C 0.624 176.925 176.300 0.002 0.000 0.984 259 D CA 1.727 55.731 54.000 0.008 0.000 0.873 259 D CB 0.616 41.438 40.800 0.036 0.000 0.935 259 D HN 0.065 8.446 8.370 0.019 0.000 0.521 260 M N -3.547 116.056 119.600 0.005 0.000 2.333 260 M HA 0.264 4.760 4.480 0.027 0.000 0.257 260 M C -0.967 175.216 176.300 -0.195 0.000 1.078 260 M CA -0.944 54.369 55.300 0.022 0.000 1.005 260 M CB 0.603 33.348 32.600 0.242 0.000 1.444 260 M HN -0.136 8.061 8.290 0.006 0.097 0.496 261 T N 1.587 115.917 114.554 -0.373 0.000 2.909 261 T HA 0.296 4.243 4.350 -0.825 -0.092 0.289 261 T C -1.591 172.960 174.700 -0.247 0.000 1.005 261 T CA -2.620 59.149 62.100 -0.551 0.000 1.084 261 T CB -0.060 68.484 68.868 -0.539 0.000 0.975 261 T HN -0.529 7.496 8.240 -0.266 0.055 0.509 262 P HA 0.150 4.383 4.420 -0.312 0.000 0.275 262 P C 0.008 177.199 177.300 -0.181 0.000 1.227 262 P CA -0.933 62.045 63.100 -0.203 0.000 0.781 262 P CB 0.678 32.358 31.700 -0.035 0.000 0.906 263 F N 0.158 120.074 119.950 -0.057 0.000 2.269 263 F HA -0.199 4.371 4.527 -0.143 -0.129 0.301 263 F C 1.471 177.077 175.800 -0.323 0.000 1.082 263 F CA 2.366 60.234 58.000 -0.220 0.000 1.360 263 F CB -0.393 38.397 39.000 -0.350 0.000 1.041 263 F HN 0.313 8.434 8.300 -0.300 0.000 0.512 264 Y N -4.649 115.777 120.300 0.209 0.000 2.583 264 Y HA 0.228 5.042 4.550 0.143 -0.179 0.294 264 Y C -0.892 175.025 175.900 0.028 0.000 1.170 264 Y CA -0.905 57.275 58.100 0.133 0.000 1.265 264 Y CB -1.586 36.971 38.460 0.162 0.000 1.119 264 Y HN -0.418 7.936 8.280 0.180 0.034 0.522 265 Q N -3.622 116.218 119.800 0.068 0.000 2.421 265 Q HA 0.287 4.607 4.340 -0.033 0.000 0.280 265 Q C -2.068 173.862 176.000 -0.118 0.000 1.085 265 Q CA -1.253 54.536 55.803 -0.023 0.000 0.807 265 Q CB 4.650 33.384 28.738 -0.007 0.000 1.405 265 Q HN -0.904 7.301 8.270 0.047 0.093 0.419 266 N N 0.000 118.578 118.700 -0.203 0.000 1.763 266 N HA 0.000 4.611 4.740 -0.215 0.000 0.220 266 N CA 0.000 52.884 53.050 -0.276 0.000 0.885 266 N CB 0.000 38.035 38.487 -0.753 0.000 1.341 266 N HN 0.000 8.266 8.380 -0.190 0.000 0.667