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 2p03_1_A DATA FIRST_RESID 1 DATA SEQUENCE YSREKNQPKP SPKRESGEEF RMEKLNQLWE KAQRLHLPPV RLAELHADLK DATA SEQUENCE IQERDELAWK KLKLDGLDED GEKEARLIRN LNVILAKYGL DGKKDARQVT DATA SEQUENCE SNSLSGTQED GLDDPRLEKL WHKAKTSGKF SGEELDKLWR EFLHHKEKVH DATA SEQUENCE EYNVLLETLS RTEEIHENVI SPSDLSDIKG SVLHSRHTEL KEKLRSINQG DATA SEQUENCE LDRLRRVSHQ GYSTEAEFEE PRVIDLWDLA QSANLTDKEL EAFREELKHF DATA SEQUENCE EAKIEKHNHY QKQLEIAHEK LRHAESVGDG ERVSRSREKH ALLEGRTKEL DATA SEQUENCE GYTVKKHLQD LSGRISRARH NEL 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 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1 Y C 0.000 175.900 175.900 0.000 0.000 1.272 1 Y CA 0.000 58.100 58.100 0.000 0.000 1.940 1 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 2 S N 3.685 119.469 115.700 0.139 0.000 2.509 2 S HA -0.040 4.481 4.470 0.084 0.000 0.287 2 S C -0.341 174.284 174.600 0.042 0.000 1.248 2 S CA 0.844 59.092 58.200 0.079 0.000 1.089 2 S CB -0.033 63.203 63.200 0.060 0.000 0.900 2 S HN -0.279 8.119 8.310 0.147 0.000 0.496 3 R N 5.847 126.369 120.500 0.038 0.000 2.924 3 R HA 0.138 4.486 4.340 0.014 0.000 0.233 3 R C -0.645 175.667 176.300 0.020 0.000 1.685 3 R CA 0.308 56.421 56.100 0.021 0.000 1.462 3 R CB 0.592 30.902 30.300 0.016 0.000 1.542 3 R HN 0.303 8.601 8.270 0.047 0.000 0.667 4 E N 2.169 122.379 120.200 0.017 0.000 2.357 4 E HA -0.080 4.279 4.350 0.016 0.000 0.194 4 E C -0.897 175.709 176.600 0.010 0.000 1.177 4 E CA -0.105 56.304 56.400 0.014 0.000 0.998 4 E CB -0.802 28.906 29.700 0.013 0.000 1.106 4 E HN 0.374 8.745 8.360 0.017 0.000 0.470 5 K N 0.279 120.684 120.400 0.009 0.000 2.166 5 K HA -0.318 4.005 4.320 0.005 0.000 0.258 5 K C -0.623 175.981 176.600 0.006 0.000 1.207 5 K CA 0.300 56.591 56.287 0.006 0.000 1.227 5 K CB -1.161 31.342 32.500 0.005 0.000 0.872 5 K HN -0.714 7.383 8.250 0.011 0.159 0.426 6 N N 5.843 124.546 118.700 0.006 0.000 2.394 6 N HA -0.215 4.529 4.740 0.006 0.000 0.288 6 N C 0.200 175.713 175.510 0.005 0.000 1.272 6 N CA 0.727 53.780 53.050 0.005 0.000 1.004 6 N CB -0.242 38.248 38.487 0.005 0.000 1.393 6 N HN 0.145 8.528 8.380 0.005 0.000 0.488 7 Q N 4.179 123.982 119.800 0.005 0.000 2.049 7 Q HA -0.030 4.313 4.340 0.004 0.000 0.198 7 Q C -1.359 174.644 176.000 0.004 0.000 0.971 7 Q CA 2.226 58.032 55.803 0.004 0.000 0.833 7 Q CB -1.062 27.678 28.738 0.005 0.000 0.896 7 Q HN -0.103 8.170 8.270 0.006 0.000 0.434 8 P HA -0.143 4.280 4.420 0.004 0.000 0.269 8 P C -1.203 176.099 177.300 0.004 0.000 1.211 8 P CA 0.888 63.991 63.100 0.004 0.000 0.781 8 P CB 0.247 31.950 31.700 0.004 0.000 0.877 9 K N 0.847 121.249 120.400 0.003 0.000 3.050 9 K HA 0.298 4.621 4.320 0.003 0.000 0.185 9 K C -2.315 174.287 176.600 0.003 0.000 1.147 9 K CA -1.808 54.481 56.287 0.003 0.000 0.916 9 K CB 0.266 32.768 32.500 0.003 0.000 1.119 9 K HN -0.050 8.202 8.250 0.003 0.000 0.605 10 P HA -0.050 4.372 4.420 0.004 0.000 0.261 10 P C -1.479 175.823 177.300 0.004 0.000 1.173 10 P CA 0.649 63.751 63.100 0.004 0.000 0.760 10 P CB 0.432 32.134 31.700 0.003 0.000 0.783 11 S N 0.608 116.310 115.700 0.004 0.000 2.730 11 S HA 0.123 4.596 4.470 0.004 0.000 0.150 11 S C -2.085 172.517 174.600 0.005 0.000 1.139 11 S CA -1.092 57.111 58.200 0.004 0.000 1.155 11 S CB -0.435 62.767 63.200 0.004 0.000 1.682 11 S HN 0.027 8.340 8.310 0.004 0.000 0.452 12 P HA 0.431 4.854 4.420 0.005 0.000 0.274 12 P C -1.619 175.685 177.300 0.006 0.000 1.237 12 P CA -0.044 63.059 63.100 0.005 0.000 0.793 12 P CB 1.122 32.825 31.700 0.005 0.000 0.977 13 K N -0.798 119.606 120.400 0.007 0.000 2.480 13 K HA 0.567 4.892 4.320 0.008 0.000 0.258 13 K C -0.751 175.855 176.600 0.009 0.000 0.990 13 K CA -1.256 55.035 56.287 0.008 0.000 0.857 13 K CB 2.267 34.772 32.500 0.008 0.000 1.384 13 K HN -0.026 8.228 8.250 0.007 0.000 0.446 14 R N 0.342 120.849 120.500 0.011 0.000 2.517 14 R HA 0.177 4.525 4.340 0.012 0.000 0.250 14 R C -1.038 175.271 176.300 0.015 0.000 1.213 14 R CA -0.735 55.373 56.100 0.013 0.000 1.146 14 R CB 0.717 31.026 30.300 0.015 0.000 1.279 14 R HN 0.274 8.551 8.270 0.011 0.000 0.597 15 E N 0.579 120.789 120.200 0.017 0.000 2.260 15 E HA 0.187 4.547 4.350 0.017 0.000 0.266 15 E C -0.554 176.062 176.600 0.025 0.000 0.887 15 E CA -0.227 56.184 56.400 0.019 0.000 0.777 15 E CB 1.265 30.974 29.700 0.015 0.000 1.205 15 E HN 0.099 8.470 8.360 0.018 0.000 0.414 16 S N 4.426 120.143 115.700 0.028 0.000 2.598 16 S HA 0.201 4.698 4.470 0.044 0.000 0.267 16 S C 0.118 174.741 174.600 0.039 0.000 1.189 16 S CA -0.155 58.068 58.200 0.038 0.000 1.010 16 S CB 0.872 64.096 63.200 0.039 0.000 1.084 16 S HN 0.162 8.486 8.310 0.024 0.000 0.541 17 G N -0.000 108.830 108.800 0.051 0.000 2.287 17 G HA2 0.021 3.995 3.960 0.023 0.000 0.303 17 G HA3 0.021 4.006 3.960 0.042 0.000 0.303 17 G C -1.679 173.252 174.900 0.053 0.000 2.212 17 G CA 0.223 45.348 45.100 0.041 0.000 0.928 17 G HN -0.053 8.275 8.290 0.063 0.000 0.440 18 E N 4.818 125.039 120.200 0.034 0.000 1.791 18 E HA -0.102 4.304 4.350 0.094 0.000 0.263 18 E C -0.160 176.420 176.600 -0.033 0.000 1.213 18 E CA 0.122 56.548 56.400 0.044 0.000 0.991 18 E CB -0.780 28.944 29.700 0.040 0.000 1.068 18 E HN 0.314 8.688 8.360 0.023 0.000 0.417 19 E N 2.467 122.622 120.200 -0.074 0.000 2.268 19 E HA -0.222 3.921 4.350 -0.345 0.000 0.195 19 E C -0.500 175.625 176.600 -0.792 0.000 0.995 19 E CA 1.643 57.792 56.400 -0.418 0.000 0.836 19 E CB 0.387 29.766 29.700 -0.535 0.000 0.763 19 E HN 0.165 8.557 8.360 0.053 0.000 0.491 20 F N -3.896 116.022 119.950 -0.053 0.000 2.835 20 F HA 0.163 4.640 4.527 -0.083 0.000 0.373 20 F C -0.292 175.492 175.800 -0.027 0.000 1.209 20 F CA -1.252 56.711 58.000 -0.062 0.000 1.082 20 F CB 2.538 41.494 39.000 -0.073 0.000 1.472 20 F HN -0.871 7.447 8.300 0.105 0.045 0.519 21 R N -1.205 119.425 120.500 0.217 0.000 2.616 21 R HA 0.174 4.570 4.340 0.093 0.000 0.427 21 R C -1.634 174.721 176.300 0.092 0.000 1.030 21 R CA -0.166 56.001 56.100 0.111 0.000 1.133 21 R CB 0.971 31.314 30.300 0.071 0.000 1.444 21 R HN 0.234 8.678 8.270 0.290 0.000 0.578 22 M N -0.127 119.533 119.600 0.100 0.000 2.433 22 M HA 0.229 4.735 4.480 0.042 0.000 0.290 22 M C -0.038 176.280 176.300 0.030 0.000 1.173 22 M CA -1.038 54.289 55.300 0.045 0.000 0.905 22 M CB 3.253 35.860 32.600 0.013 0.000 1.692 22 M HN -0.589 7.795 8.290 0.157 0.000 0.462 23 E N 3.834 124.047 120.200 0.021 0.000 2.160 23 E HA -0.394 3.976 4.350 0.034 0.000 0.195 23 E C 0.745 177.339 176.600 -0.010 0.000 0.991 23 E CA 3.308 59.718 56.400 0.016 0.000 0.810 23 E CB -0.639 29.069 29.700 0.013 0.000 0.742 23 E HN 0.720 9.093 8.360 0.022 0.000 0.466 24 K N -1.444 118.934 120.400 -0.037 0.000 1.984 24 K HA -0.207 4.080 4.320 -0.055 0.000 0.209 24 K C 2.175 178.695 176.600 -0.133 0.000 1.046 24 K CA 2.865 59.109 56.287 -0.072 0.000 0.934 24 K CB -0.588 31.864 32.500 -0.080 0.000 0.717 24 K HN 0.082 8.292 8.250 -0.028 0.024 0.438 25 L N -2.272 118.815 121.223 -0.227 0.000 2.187 25 L HA -0.300 3.697 4.340 -0.572 0.000 0.213 25 L C 2.048 178.723 176.870 -0.324 0.000 1.100 25 L CA 2.990 57.505 54.840 -0.541 0.000 0.765 25 L CB -0.718 40.779 42.059 -0.936 0.000 0.904 25 L HN -0.203 7.922 8.230 -0.175 0.000 0.437 26 N N -0.052 118.624 118.700 -0.039 0.000 2.081 26 N HA -0.317 4.599 4.740 0.294 0.000 0.191 26 N C 1.795 177.370 175.510 0.107 0.000 1.053 26 N CA 3.178 56.310 53.050 0.138 0.000 0.846 26 N CB 0.210 38.773 38.487 0.127 0.000 1.032 26 N HN -0.014 8.226 8.380 -0.041 0.115 0.431 27 Q N 0.227 120.050 119.800 0.038 0.000 2.112 27 Q HA -0.357 3.997 4.340 0.024 0.000 0.206 27 Q C 2.798 178.797 176.000 -0.001 0.000 0.987 27 Q CA 2.785 58.597 55.803 0.015 0.000 0.858 27 Q CB -0.439 28.295 28.738 -0.006 0.000 0.905 27 Q HN 0.324 8.499 8.270 0.022 0.109 0.420 28 L N 0.618 121.829 121.223 -0.019 0.000 1.961 28 L HA -0.320 3.986 4.340 -0.057 0.000 0.210 28 L C 1.148 178.032 176.870 0.024 0.000 1.072 28 L CA 3.690 58.508 54.840 -0.037 0.000 0.749 28 L CB -0.306 41.700 42.059 -0.088 0.000 0.889 28 L HN 0.090 8.287 8.230 -0.039 0.009 0.432 29 W N -1.414 119.810 121.300 -0.127 0.000 2.290 29 W HA -0.651 4.003 4.660 -0.010 0.000 0.328 29 W C 1.748 178.275 176.519 0.013 0.000 1.272 29 W CA 2.912 60.255 57.345 -0.002 0.000 1.262 29 W CB -0.005 29.572 29.460 0.195 0.000 1.151 29 W HN -0.221 7.937 8.180 0.141 0.106 0.473 30 E N -0.928 119.303 120.200 0.053 0.000 2.097 30 E HA -0.492 3.955 4.350 -0.152 -0.188 0.196 30 E C 2.455 178.948 176.600 -0.178 0.000 1.000 30 E CA 3.210 59.560 56.400 -0.083 0.000 0.804 30 E CB -0.251 29.465 29.700 0.026 0.000 0.740 30 E HN 0.125 8.634 8.360 0.248 0.000 0.454 31 K N -1.055 119.265 120.400 -0.134 0.000 1.991 31 K HA -0.352 3.883 4.320 -0.142 0.000 0.212 31 K C 2.330 178.785 176.600 -0.243 0.000 1.049 31 K CA 3.033 59.226 56.287 -0.156 0.000 0.932 31 K CB -0.125 32.310 32.500 -0.109 0.000 0.717 31 K HN -0.307 7.703 8.250 -0.074 0.196 0.441 32 A N -1.414 121.241 122.820 -0.275 0.000 1.917 32 A HA -0.360 3.801 4.320 -0.265 0.000 0.219 32 A C 2.378 179.698 177.584 -0.440 0.000 1.182 32 A CA 3.116 54.951 52.037 -0.336 0.000 0.633 32 A CB -0.946 17.840 19.000 -0.356 0.000 0.819 32 A HN 0.133 8.147 8.150 -0.227 0.000 0.448 33 Q N -2.499 116.953 119.800 -0.580 0.000 2.135 33 Q HA -0.390 3.647 4.340 -0.505 0.000 0.204 33 Q C 2.807 178.542 176.000 -0.442 0.000 0.981 33 Q CA 2.908 58.394 55.803 -0.529 0.000 0.856 33 Q CB -0.099 28.294 28.738 -0.575 0.000 0.902 33 Q HN 0.208 8.086 8.270 -0.648 0.003 0.425 34 R N -1.480 118.754 120.500 -0.443 0.000 2.115 34 R HA -0.176 3.898 4.340 -0.442 0.000 0.226 34 R C 1.786 177.507 176.300 -0.965 0.000 1.100 34 R CA 1.241 57.025 56.100 -0.527 0.000 0.980 34 R CB -0.439 29.700 30.300 -0.269 0.000 0.875 34 R HN -0.338 7.600 8.270 -0.370 0.110 0.445 35 L N -3.985 116.851 121.223 -0.644 0.000 2.313 35 L HA -0.165 3.955 4.340 -0.367 0.000 0.214 35 L C -0.726 175.888 176.870 -0.426 0.000 1.119 35 L CA 0.955 55.520 54.840 -0.457 0.000 0.809 35 L CB 0.518 42.441 42.059 -0.228 0.000 0.933 35 L HN -0.285 7.527 8.230 -0.475 0.133 0.449 36 H N -4.507 114.499 119.070 -0.108 0.000 4.004 36 H HA -0.282 4.206 4.556 -0.114 0.000 0.291 36 H C -1.369 173.921 175.328 -0.063 0.000 0.724 36 H CA 0.549 56.543 56.048 -0.090 0.000 0.836 36 H CB -1.768 27.958 29.762 -0.061 0.000 1.308 36 H HN -0.253 7.528 8.280 -0.596 0.141 0.319 37 L N 3.318 124.563 121.223 0.037 0.000 2.376 37 L HA 0.346 4.716 4.340 0.049 0.000 0.258 37 L C -2.229 174.668 176.870 0.046 0.000 1.013 37 L CA -3.179 51.682 54.840 0.035 0.000 0.822 37 L CB 2.033 44.100 42.059 0.014 0.000 1.388 37 L HN -0.301 7.938 8.230 0.015 0.000 0.413 38 P HA 0.012 4.457 4.420 0.042 0.000 0.269 38 P C -0.912 176.423 177.300 0.059 0.000 1.200 38 P CA -0.739 62.392 63.100 0.051 0.000 0.779 38 P CB -0.593 31.140 31.700 0.055 0.000 0.841 39 P HA -0.176 4.281 4.420 0.063 0.000 0.216 39 P C 1.206 178.551 177.300 0.076 0.000 1.153 39 P CA 2.465 65.600 63.100 0.059 0.000 0.844 39 P CB -0.023 31.703 31.700 0.044 0.000 0.787 40 V N 0.888 120.844 119.914 0.070 0.000 2.358 40 V HA -0.286 3.879 4.120 0.075 0.000 0.246 40 V C 2.100 178.257 176.094 0.105 0.000 1.047 40 V CA 3.834 66.180 62.300 0.077 0.000 1.035 40 V CB -0.853 31.007 31.823 0.062 0.000 0.658 40 V HN -0.119 8.106 8.190 0.059 0.000 0.452 41 R N -0.922 119.646 120.500 0.112 0.000 2.092 41 R HA -0.194 4.248 4.340 0.170 0.000 0.231 41 R C 2.952 179.357 176.300 0.176 0.000 1.119 41 R CA 2.756 58.949 56.100 0.155 0.000 0.970 41 R CB -0.785 29.608 30.300 0.156 0.000 0.864 41 R HN 0.097 8.423 8.270 0.094 0.000 0.440 42 L N -0.438 120.876 121.223 0.152 0.000 2.056 42 L HA -0.268 4.201 4.340 0.215 0.000 0.207 42 L C 1.234 178.278 176.870 0.290 0.000 1.078 42 L CA 3.122 58.087 54.840 0.208 0.000 0.749 42 L CB -0.322 41.827 42.059 0.150 0.000 0.901 42 L HN -0.006 8.296 8.230 0.120 0.000 0.433 43 A N -0.408 122.532 122.820 0.200 0.000 1.835 43 A HA -0.423 4.011 4.320 0.190 0.000 0.215 43 A C 1.491 179.189 177.584 0.189 0.000 1.199 43 A CA 3.344 55.488 52.037 0.179 0.000 0.615 43 A CB -1.016 18.053 19.000 0.115 0.000 0.838 43 A HN 0.103 8.346 8.150 0.156 0.000 0.444 44 E N -0.906 119.391 120.200 0.161 0.000 2.160 44 E HA -0.320 4.105 4.350 0.125 0.000 0.195 44 E C 2.197 178.908 176.600 0.186 0.000 0.991 44 E CA 2.761 59.252 56.400 0.151 0.000 0.810 44 E CB 0.147 29.928 29.700 0.134 0.000 0.742 44 E HN -0.358 8.090 8.360 0.147 0.000 0.466 45 L N 0.617 121.980 121.223 0.233 0.000 1.973 45 L HA -0.359 4.117 4.340 0.227 0.000 0.208 45 L C 1.207 178.216 176.870 0.232 0.000 1.073 45 L CA 3.002 57.981 54.840 0.231 0.000 0.746 45 L CB -0.654 41.521 42.059 0.193 0.000 0.891 45 L HN 0.053 8.301 8.230 0.235 0.123 0.433 46 H N 0.310 119.521 119.070 0.235 0.000 2.321 46 H HA -0.561 3.994 4.556 -0.003 0.000 0.295 46 H C 1.970 177.313 175.328 0.025 0.000 1.102 46 H CA 4.396 60.477 56.048 0.056 0.000 1.266 46 H CB 0.563 30.286 29.762 -0.065 0.000 1.363 46 H HN 0.264 8.731 8.280 0.501 0.114 0.492 47 A N -1.811 121.079 122.820 0.117 0.000 1.859 47 A HA -0.461 3.876 4.320 0.028 0.000 0.217 47 A C 2.079 179.668 177.584 0.008 0.000 1.198 47 A CA 3.473 55.540 52.037 0.051 0.000 0.629 47 A CB -0.886 18.165 19.000 0.085 0.000 0.830 47 A HN 0.041 8.320 8.150 0.212 -0.002 0.446 48 D N -0.557 119.871 120.400 0.047 0.000 2.133 48 D HA -0.345 4.317 4.640 0.036 0.000 0.192 48 D C 2.484 178.780 176.300 -0.008 0.000 1.001 48 D CA 3.312 57.336 54.000 0.040 0.000 0.844 48 D CB -0.559 40.296 40.800 0.093 0.000 0.944 48 D HN -0.388 8.034 8.370 0.086 0.000 0.447 49 L N -1.331 119.863 121.223 -0.047 0.000 2.013 49 L HA -0.483 3.786 4.340 -0.119 0.000 0.212 49 L C 2.370 179.182 176.870 -0.096 0.000 1.073 49 L CA 3.234 57.998 54.840 -0.127 0.000 0.753 49 L CB -0.502 41.417 42.059 -0.233 0.000 0.890 49 L HN 0.337 8.555 8.230 -0.022 -0.000 0.432 50 K N -0.984 119.368 120.400 -0.081 0.000 2.009 50 K HA -0.345 4.012 4.320 0.062 0.000 0.210 50 K C 2.824 179.418 176.600 -0.010 0.000 1.049 50 K CA 3.198 59.471 56.287 -0.024 0.000 0.929 50 K CB -0.191 32.262 32.500 -0.077 0.000 0.714 50 K HN -0.249 7.832 8.250 -0.150 0.079 0.440 51 I N -1.289 119.274 120.570 -0.013 0.000 2.194 51 I HA -0.490 3.683 4.170 0.005 0.000 0.246 51 I C 2.160 178.275 176.117 -0.002 0.000 1.093 51 I CA 1.717 63.017 61.300 -0.000 0.000 1.355 51 I CB -1.730 36.274 38.000 0.006 0.000 1.046 51 I HN -0.088 8.110 8.210 -0.019 0.000 0.413 52 Q N 0.861 120.650 119.800 -0.018 0.000 2.061 52 Q HA -0.379 4.127 4.340 -0.023 -0.180 0.204 52 Q C 2.361 178.349 176.000 -0.020 0.000 0.984 52 Q CA 3.573 59.358 55.803 -0.030 0.000 0.846 52 Q CB -0.139 28.565 28.738 -0.058 0.000 0.902 52 Q HN 0.106 8.274 8.270 -0.026 0.086 0.421 53 E N -0.417 119.772 120.200 -0.018 0.000 2.118 53 E HA -0.401 4.113 4.350 -0.001 -0.164 0.195 53 E C 2.552 179.172 176.600 0.033 0.000 0.992 53 E CA 3.033 59.441 56.400 0.012 0.000 0.804 53 E CB -0.205 29.530 29.700 0.059 0.000 0.741 53 E HN -0.191 8.084 8.360 -0.029 0.068 0.458 54 R N -2.442 118.074 120.500 0.028 0.000 2.092 54 R HA -0.328 4.035 4.340 0.037 0.000 0.231 54 R C 2.344 178.674 176.300 0.050 0.000 1.119 54 R CA 3.369 59.490 56.100 0.035 0.000 0.970 54 R CB -0.075 30.240 30.300 0.024 0.000 0.864 54 R HN -0.121 8.065 8.270 0.019 0.096 0.440 55 D N -0.673 119.753 120.400 0.044 0.000 2.077 55 D HA -0.272 4.415 4.640 0.079 0.000 0.196 55 D C 1.851 178.220 176.300 0.115 0.000 0.986 55 D CA 3.412 57.451 54.000 0.065 0.000 0.829 55 D CB -0.521 40.295 40.800 0.027 0.000 0.983 55 D HN -0.045 8.245 8.370 0.026 0.096 0.453 56 E N 0.324 120.568 120.200 0.074 0.000 2.070 56 E HA -0.444 3.976 4.350 0.117 0.000 0.197 56 E C 2.290 179.016 176.600 0.209 0.000 1.004 56 E CA 2.661 59.130 56.400 0.116 0.000 0.805 56 E CB -0.186 29.534 29.700 0.033 0.000 0.744 56 E HN 0.062 8.440 8.360 0.030 0.000 0.451 57 L N 0.409 121.710 121.223 0.129 0.000 1.955 57 L HA -0.318 4.088 4.340 0.111 0.000 0.213 57 L C 1.949 178.887 176.870 0.115 0.000 1.072 57 L CA 2.743 57.648 54.840 0.109 0.000 0.755 57 L CB -1.228 40.872 42.059 0.068 0.000 0.888 57 L HN -0.097 8.188 8.230 0.091 0.000 0.432 58 A N -1.753 121.129 122.820 0.105 0.000 2.032 58 A HA -0.334 4.013 4.320 0.045 0.000 0.221 58 A C 1.935 179.583 177.584 0.106 0.000 1.165 58 A CA 2.903 54.989 52.037 0.083 0.000 0.645 58 A CB -0.968 18.078 19.000 0.076 0.000 0.807 58 A HN -0.211 7.996 8.150 0.096 0.000 0.453 59 W N -0.426 120.872 121.300 -0.003 0.000 2.381 59 W HA -0.424 4.234 4.660 -0.002 0.000 0.321 59 W C 1.198 177.716 176.519 -0.002 0.000 1.196 59 W CA 4.100 61.443 57.345 -0.003 0.000 1.304 59 W CB 0.290 29.748 29.460 -0.004 0.000 1.166 59 W HN 0.112 8.257 8.180 0.317 0.225 0.473 60 K N -2.110 118.389 120.400 0.165 0.000 2.077 60 K HA -0.590 3.476 4.320 -0.424 0.000 0.213 60 K C 2.292 178.757 176.600 -0.225 0.000 1.051 60 K CA 3.447 59.673 56.287 -0.102 0.000 0.929 60 K CB -0.798 31.779 32.500 0.129 0.000 0.715 60 K HN 0.247 8.799 8.250 0.505 0.000 0.451 61 K N -0.859 119.477 120.400 -0.106 0.000 1.991 61 K HA -0.325 3.942 4.320 -0.088 0.000 0.212 61 K C 2.453 178.953 176.600 -0.166 0.000 1.049 61 K CA 3.434 59.660 56.287 -0.103 0.000 0.932 61 K CB -0.030 32.443 32.500 -0.045 0.000 0.717 61 K HN -0.321 7.915 8.250 -0.023 0.001 0.441 62 L N -2.341 118.764 121.223 -0.196 0.000 2.127 62 L HA -0.309 3.946 4.340 -0.143 0.000 0.211 62 L C 1.637 178.319 176.870 -0.314 0.000 1.089 62 L CA 3.329 58.041 54.840 -0.213 0.000 0.757 62 L CB -0.652 41.298 42.059 -0.181 0.000 0.899 62 L HN -0.186 7.947 8.230 -0.161 0.000 0.434 63 K N -0.657 119.423 120.400 -0.533 0.000 2.057 63 K HA -0.314 3.695 4.320 -0.518 0.000 0.207 63 K C 2.702 179.111 176.600 -0.318 0.000 1.049 63 K CA 3.209 59.147 56.287 -0.582 0.000 0.931 63 K CB 0.001 31.892 32.500 -1.014 0.000 0.714 63 K HN 0.107 7.762 8.250 -0.629 0.218 0.440 64 L N -1.776 119.297 121.223 -0.251 0.000 2.093 64 L HA -0.298 3.960 4.340 -0.136 0.000 0.208 64 L C 2.190 178.989 176.870 -0.118 0.000 1.085 64 L CA 2.490 57.240 54.840 -0.150 0.000 0.755 64 L CB -0.084 41.908 42.059 -0.112 0.000 0.904 64 L HN -0.071 7.906 8.230 -0.278 0.086 0.435 65 D N -2.358 117.968 120.400 -0.122 0.000 2.277 65 D HA -0.010 4.587 4.640 -0.071 0.000 0.208 65 D C 0.760 177.007 176.300 -0.088 0.000 0.962 65 D CA 0.663 54.609 54.000 -0.090 0.000 0.865 65 D CB 0.308 41.060 40.800 -0.080 0.000 0.939 65 D HN -0.392 7.799 8.370 -0.148 0.091 0.510 66 G N -1.971 106.758 108.800 -0.118 0.000 2.689 66 G HA2 -0.380 3.508 3.960 -0.121 0.000 0.273 66 G HA3 -0.380 3.534 3.960 -0.077 0.000 0.273 66 G C -1.130 173.721 174.900 -0.082 0.000 1.062 66 G CA 0.383 45.423 45.100 -0.100 0.000 1.279 66 G HN -0.262 7.774 8.290 -0.158 0.159 0.547 67 L N -0.185 120.980 121.223 -0.098 0.000 3.066 67 L HA 0.149 4.462 4.340 -0.046 0.000 0.272 67 L C -0.686 176.156 176.870 -0.047 0.000 1.101 67 L CA -0.446 54.356 54.840 -0.064 0.000 1.022 67 L CB 2.176 44.198 42.059 -0.062 0.000 1.600 67 L HN -0.567 7.579 8.230 -0.141 0.000 0.559 68 D N -0.215 120.141 120.400 -0.072 0.000 2.357 68 D HA -0.189 4.466 4.640 0.025 0.000 0.265 68 D C 0.416 176.727 176.300 0.018 0.000 1.334 68 D CA 1.162 55.157 54.000 -0.008 0.000 0.984 68 D CB 0.006 40.804 40.800 -0.003 0.000 1.077 68 D HN -0.130 8.159 8.370 -0.135 0.000 0.514 69 E N 4.631 124.845 120.200 0.024 0.000 2.062 69 E HA -0.043 4.317 4.350 0.018 0.000 0.196 69 E C 1.046 177.668 176.600 0.038 0.000 0.949 69 E CA 0.919 57.333 56.400 0.023 0.000 0.889 69 E CB 0.354 30.062 29.700 0.013 0.000 0.928 69 E HN -0.119 8.255 8.360 0.024 0.000 0.476 70 D N -1.530 118.891 120.400 0.036 0.000 2.401 70 D HA -0.194 4.464 4.640 0.030 0.000 0.217 70 D C 0.495 176.826 176.300 0.051 0.000 0.978 70 D CA 1.218 55.240 54.000 0.037 0.000 0.951 70 D CB -0.596 40.223 40.800 0.033 0.000 0.879 70 D HN 0.099 8.487 8.370 0.031 0.000 0.497 71 G N -2.337 106.509 108.800 0.075 0.000 2.205 71 G HA2 -0.434 4.029 3.960 0.156 0.000 0.269 71 G HA3 -0.434 3.578 3.960 0.088 0.000 0.269 71 G C 0.895 175.854 174.900 0.098 0.000 0.977 71 G CA 1.130 46.295 45.100 0.107 0.000 0.652 71 G HN -0.017 8.268 8.290 0.074 0.049 0.539 72 E N 0.266 120.511 120.200 0.074 0.000 2.209 72 E HA -0.344 4.028 4.350 0.035 0.000 0.196 72 E C 1.726 178.366 176.600 0.067 0.000 0.993 72 E CA 2.133 58.565 56.400 0.054 0.000 0.819 72 E CB -0.198 29.527 29.700 0.042 0.000 0.745 72 E HN 0.420 8.691 8.360 0.067 0.129 0.477 73 K N -0.731 119.748 120.400 0.132 0.000 1.973 73 K HA -0.325 4.074 4.320 0.130 0.000 0.212 73 K C 1.943 178.592 176.600 0.083 0.000 1.047 73 K CA 3.260 59.662 56.287 0.191 0.000 0.937 73 K CB -0.310 32.410 32.500 0.367 0.000 0.721 73 K HN -0.534 7.777 8.250 0.145 0.026 0.440 74 E N -0.617 119.688 120.200 0.176 0.000 2.118 74 E HA -0.423 3.249 4.350 -1.131 0.000 0.195 74 E C 2.090 178.543 176.600 -0.244 0.000 0.992 74 E CA 3.064 59.285 56.400 -0.299 0.000 0.804 74 E CB -0.097 29.661 29.700 0.097 0.000 0.741 74 E HN -0.717 8.129 8.360 0.464 -0.207 0.458 75 A N -1.170 121.605 122.820 -0.075 0.000 1.969 75 A HA -0.186 4.082 4.320 -0.086 0.000 0.218 75 A C 2.233 179.769 177.584 -0.081 0.000 1.169 75 A CA 2.952 54.948 52.037 -0.068 0.000 0.635 75 A CB -0.758 18.231 19.000 -0.018 0.000 0.810 75 A HN 0.137 8.275 8.150 0.007 0.016 0.445 76 R N -0.668 119.789 120.500 -0.071 0.000 2.073 76 R HA -0.194 4.119 4.340 -0.044 0.000 0.229 76 R C 2.173 178.413 176.300 -0.099 0.000 1.120 76 R CA 2.211 58.276 56.100 -0.059 0.000 0.967 76 R CB -0.528 29.759 30.300 -0.023 0.000 0.862 76 R HN -0.043 7.966 8.270 -0.051 0.230 0.436 77 L N 0.073 121.191 121.223 -0.176 0.000 2.056 77 L HA -0.166 4.088 4.340 -0.144 0.000 0.207 77 L C 1.874 178.625 176.870 -0.200 0.000 1.078 77 L CA 2.868 57.578 54.840 -0.217 0.000 0.749 77 L CB -0.274 41.549 42.059 -0.393 0.000 0.901 77 L HN -0.127 7.975 8.230 -0.212 0.000 0.433 78 I N -1.404 119.032 120.570 -0.223 0.000 2.286 78 I HA -0.546 3.523 4.170 -0.169 0.000 0.245 78 I C 1.669 177.723 176.117 -0.104 0.000 1.104 78 I CA 4.353 65.553 61.300 -0.168 0.000 1.397 78 I CB -0.370 37.529 38.000 -0.167 0.000 1.072 78 I HN 0.030 8.082 8.210 -0.264 0.000 0.417 79 R N -0.098 120.349 120.500 -0.088 0.000 2.081 79 R HA -0.439 3.870 4.340 -0.051 0.000 0.235 79 R C 2.351 178.622 176.300 -0.048 0.000 1.131 79 R CA 4.068 60.134 56.100 -0.057 0.000 0.960 79 R CB -0.297 29.976 30.300 -0.046 0.000 0.856 79 R HN 0.421 8.508 8.270 -0.101 0.122 0.436 80 N N -0.237 118.431 118.700 -0.053 0.000 2.216 80 N HA -0.201 4.524 4.740 -0.024 0.000 0.183 80 N C 2.277 177.768 175.510 -0.031 0.000 1.017 80 N CA 2.860 55.889 53.050 -0.036 0.000 0.861 80 N CB -0.584 37.882 38.487 -0.036 0.000 0.986 80 N HN 0.014 8.244 8.380 -0.068 0.109 0.428 81 L N 1.224 122.414 121.223 -0.055 0.000 1.970 81 L HA -0.344 3.972 4.340 -0.040 0.000 0.212 81 L C 1.720 178.573 176.870 -0.028 0.000 1.071 81 L CA 3.648 58.458 54.840 -0.050 0.000 0.751 81 L CB -0.931 41.080 42.059 -0.080 0.000 0.889 81 L HN 0.145 8.146 8.230 -0.077 0.183 0.432 82 N N -1.144 117.534 118.700 -0.035 0.000 2.120 82 N HA -0.266 4.462 4.740 -0.019 0.000 0.188 82 N C 2.563 178.066 175.510 -0.012 0.000 1.024 82 N CA 3.151 56.187 53.050 -0.024 0.000 0.852 82 N CB -0.435 38.034 38.487 -0.031 0.000 1.003 82 N HN -0.143 8.207 8.380 -0.050 0.000 0.424 83 V N 1.077 120.982 119.914 -0.016 0.000 2.233 83 V HA -0.486 3.623 4.120 -0.019 0.000 0.247 83 V C 1.851 177.945 176.094 0.000 0.000 1.050 83 V CA 4.612 66.903 62.300 -0.014 0.000 1.010 83 V CB -0.388 31.424 31.823 -0.019 0.000 0.637 83 V HN -0.063 8.112 8.190 -0.023 0.000 0.444 84 I N -1.071 119.516 120.570 0.028 0.000 2.208 84 I HA -0.573 3.642 4.170 0.074 0.000 0.245 84 I C 2.063 178.275 176.117 0.159 0.000 1.097 84 I CA 3.978 65.340 61.300 0.103 0.000 1.363 84 I CB -0.403 37.677 38.000 0.134 0.000 1.051 84 I HN 0.160 8.266 8.210 0.017 0.114 0.413 85 L N -0.271 121.006 121.223 0.090 0.000 1.961 85 L HA -0.427 3.984 4.340 0.118 0.000 0.210 85 L C 2.089 179.000 176.870 0.068 0.000 1.072 85 L CA 3.455 58.344 54.840 0.082 0.000 0.749 85 L CB -0.993 41.082 42.059 0.028 0.000 0.889 85 L HN -0.177 8.083 8.230 0.050 0.000 0.432 86 A N -2.844 119.991 122.820 0.025 0.000 1.986 86 A HA -0.395 3.930 4.320 0.009 0.000 0.220 86 A C 2.321 179.899 177.584 -0.010 0.000 1.171 86 A CA 2.929 54.969 52.037 0.005 0.000 0.640 86 A CB -0.893 18.101 19.000 -0.010 0.000 0.811 86 A HN 0.265 8.319 8.150 0.015 0.105 0.451 87 K N -0.932 119.450 120.400 -0.031 0.000 1.967 87 K HA -0.308 3.941 4.320 -0.118 0.000 0.212 87 K C 2.575 179.085 176.600 -0.151 0.000 1.044 87 K CA 2.573 58.782 56.287 -0.130 0.000 0.942 87 K CB 0.062 32.424 32.500 -0.229 0.000 0.726 87 K HN -0.352 7.774 8.250 -0.008 0.119 0.440 88 Y N -4.278 116.017 120.300 -0.007 0.000 2.569 88 Y HA -0.268 4.280 4.550 -0.003 0.000 0.293 88 Y C 0.872 176.764 175.900 -0.012 0.000 1.144 88 Y CA 1.654 59.750 58.100 -0.007 0.000 1.321 88 Y CB 0.382 38.839 38.460 -0.005 0.000 0.982 88 Y HN -0.263 8.051 8.280 0.058 0.000 0.558 89 G N -3.581 105.282 108.800 0.105 0.000 2.132 89 G HA2 -0.373 3.605 3.960 0.030 0.000 0.234 89 G HA3 -0.373 3.616 3.960 0.049 0.000 0.234 89 G C 0.000 174.933 174.900 0.054 0.000 0.989 89 G CA 0.328 45.462 45.100 0.056 0.000 0.676 89 G HN -0.079 8.166 8.290 0.085 0.096 0.522 90 L N -1.116 120.151 121.223 0.075 0.000 2.612 90 L HA 0.106 4.458 4.340 0.021 0.000 0.230 90 L C 0.216 177.097 176.870 0.019 0.000 1.140 90 L CA -0.105 54.757 54.840 0.037 0.000 0.896 90 L CB -0.577 41.501 42.059 0.031 0.000 1.065 90 L HN -0.180 8.081 8.230 0.121 0.042 0.447 91 D N -1.037 119.375 120.400 0.021 0.000 2.129 91 D HA -0.124 4.517 4.640 0.003 0.000 0.220 91 D C 1.503 177.803 176.300 -0.000 0.000 0.988 91 D CA 1.386 55.389 54.000 0.007 0.000 0.904 91 D CB 1.307 42.109 40.800 0.005 0.000 1.018 91 D HN -0.598 7.697 8.370 0.030 0.093 0.444 92 G N -0.366 108.433 108.800 -0.000 0.000 3.299 92 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.251 92 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.251 92 G C -1.099 173.798 174.900 -0.005 0.000 1.741 92 G CA -0.055 45.044 45.100 -0.003 0.000 1.151 92 G HN -0.126 8.165 8.290 0.001 0.000 0.561 93 K N 0.784 121.180 120.400 -0.006 0.000 2.582 93 K HA 0.150 4.465 4.320 -0.008 0.000 0.259 93 K C -1.318 175.277 176.600 -0.007 0.000 0.973 93 K CA 0.073 56.355 56.287 -0.007 0.000 0.880 93 K CB 1.302 33.798 32.500 -0.006 0.000 1.310 93 K HN 0.005 8.251 8.250 -0.007 0.000 0.443 94 K N 3.866 124.261 120.400 -0.009 0.000 2.144 94 K HA 0.141 4.455 4.320 -0.009 0.000 0.270 94 K C -0.728 175.868 176.600 -0.006 0.000 1.005 94 K CA -0.139 56.143 56.287 -0.009 0.000 0.932 94 K CB 0.450 32.943 32.500 -0.011 0.000 1.021 94 K HN 0.122 8.366 8.250 -0.009 0.000 0.462 95 D N 1.519 121.916 120.400 -0.005 0.000 2.423 95 D HA 0.103 4.742 4.640 -0.001 0.000 0.255 95 D C -0.982 175.316 176.300 -0.003 0.000 1.174 95 D CA -0.257 53.742 54.000 -0.003 0.000 1.008 95 D CB 1.160 41.959 40.800 -0.002 0.000 1.101 95 D HN 0.189 8.555 8.370 -0.006 0.000 0.516 96 A N -0.130 122.690 122.820 -0.000 0.000 2.429 96 A HA 0.258 4.578 4.320 -0.001 0.000 0.289 96 A C -0.973 176.612 177.584 0.002 0.000 1.043 96 A CA -0.181 51.856 52.037 0.000 0.000 0.722 96 A CB 1.826 20.827 19.000 0.001 0.000 1.243 96 A HN 0.136 8.287 8.150 0.001 0.000 0.415 97 R N 2.089 122.589 120.500 0.000 0.000 2.428 97 R HA 0.225 4.565 4.340 0.000 0.000 0.294 97 R C -0.731 175.570 176.300 0.001 0.000 1.000 97 R CA 0.132 56.232 56.100 0.000 0.000 0.960 97 R CB 0.657 30.956 30.300 -0.001 0.000 1.076 97 R HN 0.292 8.562 8.270 -0.000 0.000 0.475 98 Q N 2.314 122.115 119.800 0.001 0.000 2.378 98 Q HA 0.243 4.584 4.340 0.002 0.000 0.262 98 Q C -2.053 173.948 176.000 0.001 0.000 0.978 98 Q CA -0.098 55.706 55.803 0.002 0.000 0.918 98 Q CB 1.257 29.997 28.738 0.004 0.000 1.415 98 Q HN 0.277 8.547 8.270 0.000 0.000 0.409 99 V N 3.885 123.800 119.914 0.001 0.000 3.225 99 V HA 0.555 4.676 4.120 0.001 0.000 0.293 99 V C -2.020 174.075 176.094 0.001 0.000 1.405 99 V CA -0.497 61.803 62.300 0.001 0.000 1.038 99 V CB 2.818 34.641 31.823 -0.000 0.000 1.123 99 V HN 0.683 8.874 8.190 0.001 0.000 0.447 100 T N 0.736 115.291 114.554 0.002 0.000 3.073 100 T HA 0.182 4.531 4.350 -0.000 0.000 0.264 100 T C -0.788 173.912 174.700 0.000 0.000 0.893 100 T CA -0.379 61.721 62.100 0.001 0.000 0.863 100 T CB 0.693 69.561 68.868 0.000 0.000 1.247 100 T HN 0.068 8.310 8.240 0.003 0.000 0.546 101 S N 0.418 116.120 115.700 0.004 0.000 3.548 101 S HA -0.273 4.205 4.470 0.014 0.000 0.698 101 S C -1.438 173.161 174.600 -0.001 0.000 2.212 101 S CA 0.709 58.913 58.200 0.006 0.000 2.310 101 S CB 0.260 63.462 63.200 0.004 0.000 0.322 101 S HN -0.084 8.229 8.310 0.005 0.000 1.416 102 N N 1.131 119.828 118.700 -0.004 0.000 2.935 102 N HA -0.055 4.672 4.740 -0.022 0.000 0.248 102 N C -2.228 173.261 175.510 -0.036 0.000 1.276 102 N CA 0.028 53.064 53.050 -0.022 0.000 0.906 102 N CB 1.451 39.920 38.487 -0.030 0.000 1.564 102 N HN 0.060 8.442 8.380 0.003 0.000 0.500 103 S N 2.159 117.831 115.700 -0.047 0.000 2.441 103 S HA 0.270 4.692 4.470 -0.079 0.000 0.187 103 S C -1.871 172.695 174.600 -0.058 0.000 0.917 103 S CA 0.487 58.653 58.200 -0.057 0.000 1.078 103 S CB 0.702 63.880 63.200 -0.038 0.000 1.379 103 S HN 0.282 8.566 8.310 -0.043 0.000 0.399 104 L N 5.156 126.334 121.223 -0.075 0.000 2.905 104 L HA 0.234 4.543 4.340 -0.052 0.000 0.260 104 L C -1.839 174.986 176.870 -0.074 0.000 0.933 104 L CA 1.152 55.955 54.840 -0.062 0.000 1.034 104 L CB 1.407 43.438 42.059 -0.048 0.000 1.550 104 L HN 0.199 8.369 8.230 -0.100 0.000 0.480 105 S N 3.881 119.546 115.700 -0.060 0.000 4.948 105 S HA 0.127 4.642 4.470 -0.059 -0.080 0.154 105 S C 1.128 175.721 174.600 -0.011 0.000 1.026 105 S CA -0.163 58.009 58.200 -0.046 0.000 1.308 105 S CB 0.761 63.931 63.200 -0.051 0.000 1.915 105 S HN 0.291 8.571 8.310 -0.050 0.000 0.680 106 G N 2.065 110.862 108.800 -0.005 0.000 4.526 106 G HA2 -0.303 3.661 3.960 0.006 0.000 0.217 106 G HA3 -0.303 3.663 3.960 0.009 0.000 0.217 106 G C -0.396 174.523 174.900 0.032 0.000 1.428 106 G CA 0.383 45.490 45.100 0.010 0.000 0.928 106 G HN 0.067 8.345 8.290 -0.020 0.000 0.639 107 T N 0.663 115.245 114.554 0.048 0.000 0.541 107 T HA -0.335 4.060 4.350 0.075 0.000 0.774 107 T C -1.570 173.150 174.700 0.034 0.000 0.992 107 T CA 1.691 63.828 62.100 0.062 0.000 4.077 107 T CB -0.084 68.831 68.868 0.080 0.000 2.303 107 T HN -0.277 7.932 8.240 0.040 0.055 0.398 108 Q N -2.109 117.703 119.800 0.020 0.000 3.405 108 Q HA 0.020 4.372 4.340 0.019 0.000 0.184 108 Q C -1.633 174.367 176.000 0.001 0.000 0.784 108 Q CA -0.227 55.585 55.803 0.015 0.000 0.963 108 Q CB 1.018 29.770 28.738 0.023 0.000 1.539 108 Q HN 0.137 8.417 8.270 0.018 0.000 0.486 109 E N 3.263 123.451 120.200 -0.021 0.000 2.369 109 E HA 0.146 4.480 4.350 -0.026 0.000 0.255 109 E C 0.028 176.624 176.600 -0.007 0.000 1.172 109 E CA 0.201 56.582 56.400 -0.031 0.000 0.932 109 E CB 0.493 30.148 29.700 -0.075 0.000 1.040 109 E HN -0.113 8.229 8.360 -0.029 0.000 0.454 110 D N 0.589 120.987 120.400 -0.004 0.000 2.098 110 D HA -0.215 4.431 4.640 0.010 0.000 0.207 110 D C 0.465 176.779 176.300 0.024 0.000 0.979 110 D CA 2.321 56.326 54.000 0.009 0.000 0.878 110 D CB 0.559 41.363 40.800 0.006 0.000 1.028 110 D HN 0.296 8.659 8.370 -0.011 0.000 0.452 111 G N -1.276 107.547 108.800 0.038 0.000 2.440 111 G HA2 -0.048 4.009 3.960 0.162 0.000 0.114 111 G HA3 -0.048 3.939 3.960 0.045 0.000 0.114 111 G C -0.854 174.128 174.900 0.136 0.000 0.940 111 G CA -0.184 44.973 45.100 0.095 0.000 1.305 111 G HN -0.083 8.224 8.290 0.028 0.000 0.525 112 L N 1.896 123.132 121.223 0.022 0.000 2.701 112 L HA 0.321 4.768 4.340 0.180 0.000 0.237 112 L C -1.616 175.279 176.870 0.041 0.000 1.204 112 L CA -1.429 53.434 54.840 0.039 0.000 1.109 112 L CB -2.988 38.986 42.059 -0.141 0.000 1.409 112 L HN 0.246 8.449 8.230 -0.045 0.000 0.428 113 D N 0.462 120.893 120.400 0.052 0.000 2.999 113 D HA 0.075 4.726 4.640 0.018 0.000 0.273 113 D C -0.861 175.457 176.300 0.030 0.000 1.485 113 D CA -0.022 53.995 54.000 0.028 0.000 1.101 113 D CB 1.204 42.014 40.800 0.017 0.000 1.109 113 D HN -0.388 7.975 8.370 0.072 0.050 0.368 114 D N 0.343 120.762 120.400 0.033 0.000 2.520 114 D HA -0.014 4.636 4.640 0.018 0.000 0.243 114 D C -0.358 175.971 176.300 0.049 0.000 1.160 114 D CA -0.367 53.650 54.000 0.030 0.000 0.877 114 D CB -0.650 40.161 40.800 0.018 0.000 1.150 114 D HN -0.015 8.372 8.370 0.029 0.000 0.494 115 P HA -0.320 4.093 4.420 -0.011 0.000 0.218 115 P C 0.592 177.937 177.300 0.074 0.000 1.150 115 P CA 2.726 65.839 63.100 0.022 0.000 0.841 115 P CB 0.088 31.793 31.700 0.010 0.000 0.784 116 R N -3.687 116.863 120.500 0.084 0.000 2.127 116 R HA -0.220 4.195 4.340 0.124 0.000 0.238 116 R C 2.182 178.642 176.300 0.266 0.000 1.134 116 R CA 2.706 58.882 56.100 0.126 0.000 0.975 116 R CB -1.092 29.243 30.300 0.058 0.000 0.865 116 R HN 0.436 8.711 8.270 0.055 0.028 0.447 117 L N -0.783 120.606 121.223 0.276 0.000 2.121 117 L HA -0.171 4.610 4.340 0.736 0.000 0.200 117 L C 1.835 179.070 176.870 0.607 0.000 1.077 117 L CA 2.683 57.827 54.840 0.508 0.000 0.766 117 L CB 0.016 42.284 42.059 0.348 0.000 0.931 117 L HN 0.397 8.578 8.230 0.175 0.154 0.452 118 E N -1.226 119.174 120.200 0.332 0.000 2.267 118 E HA -0.390 4.232 4.350 0.454 0.000 0.197 118 E C 2.855 179.495 176.600 0.067 0.000 0.998 118 E CA 2.807 59.301 56.400 0.156 0.000 0.830 118 E CB -0.762 28.798 29.700 -0.234 0.000 0.751 118 E HN -0.471 8.023 8.360 0.223 0.000 0.491 119 K N -1.352 119.127 120.400 0.132 0.000 2.002 119 K HA -0.260 4.082 4.320 0.036 0.000 0.209 119 K C 2.206 178.944 176.600 0.229 0.000 1.048 119 K CA 2.840 59.206 56.287 0.131 0.000 0.930 119 K CB -0.407 32.179 32.500 0.143 0.000 0.714 119 K HN 0.330 8.545 8.250 0.171 0.137 0.438 120 L N 0.353 121.763 121.223 0.311 0.000 2.044 120 L HA -0.253 4.185 4.340 0.164 0.000 0.205 120 L C 1.686 178.646 176.870 0.150 0.000 1.075 120 L CA 3.331 58.295 54.840 0.206 0.000 0.747 120 L CB 0.006 42.120 42.059 0.093 0.000 0.903 120 L HN -0.662 7.807 8.230 0.399 0.000 0.435 121 W N -0.937 120.392 121.300 0.049 0.000 2.318 121 W HA -0.549 3.792 4.660 -0.532 0.000 0.313 121 W C 1.567 178.056 176.519 -0.050 0.000 1.221 121 W CA 4.571 61.777 57.345 -0.230 0.000 1.266 121 W CB -0.297 28.982 29.460 -0.301 0.000 1.150 121 W HN 0.071 8.615 8.180 0.607 0.000 0.496 122 H N -3.048 116.165 119.070 0.238 0.000 2.436 122 H HA -0.280 4.370 4.556 0.156 0.000 0.294 122 H C 2.487 177.817 175.328 0.003 0.000 1.048 122 H CA 2.881 59.013 56.048 0.141 0.000 1.353 122 H CB -0.016 29.840 29.762 0.158 0.000 1.414 122 H HN -0.029 8.646 8.280 0.846 0.112 0.536 123 K N 0.440 120.927 120.400 0.144 0.000 2.020 123 K HA -0.372 3.960 4.320 0.020 0.000 0.212 123 K C 2.100 178.646 176.600 -0.090 0.000 1.050 123 K CA 2.834 59.135 56.287 0.024 0.000 0.929 123 K CB -0.437 32.099 32.500 0.061 0.000 0.714 123 K HN -0.082 8.104 8.250 0.212 0.191 0.443 124 A N -1.706 121.032 122.820 -0.138 0.000 1.878 124 A HA -0.150 4.010 4.320 -0.267 0.000 0.213 124 A C 1.420 178.890 177.584 -0.191 0.000 1.192 124 A CA 2.984 54.886 52.037 -0.226 0.000 0.619 124 A CB -0.406 18.462 19.000 -0.221 0.000 0.837 124 A HN -0.077 8.002 8.150 -0.119 0.000 0.446 125 K N -2.220 118.027 120.400 -0.256 0.000 2.173 125 K HA -0.381 3.793 4.320 -0.242 0.000 0.207 125 K C 1.714 178.242 176.600 -0.120 0.000 1.046 125 K CA 3.369 59.505 56.287 -0.252 0.000 0.929 125 K CB -0.210 32.062 32.500 -0.380 0.000 0.720 125 K HN -0.281 7.767 8.250 -0.336 0.000 0.453 126 T N -2.080 112.422 114.554 -0.088 0.000 3.045 126 T HA 0.012 4.335 4.350 -0.044 0.000 0.239 126 T C 1.044 175.702 174.700 -0.070 0.000 1.008 126 T CA 2.836 64.903 62.100 -0.054 0.000 1.143 126 T CB 0.656 69.510 68.868 -0.023 0.000 0.894 126 T HN -0.218 7.941 8.240 -0.090 0.027 0.451 127 S N 0.416 116.045 115.700 -0.117 0.000 2.444 127 S HA -0.283 4.022 4.470 -0.275 0.000 0.244 127 S C 0.596 175.182 174.600 -0.023 0.000 1.025 127 S CA 2.061 60.136 58.200 -0.208 0.000 0.995 127 S CB 0.294 63.313 63.200 -0.302 0.000 0.781 127 S HN -0.035 8.088 8.310 -0.117 0.116 0.496 128 G N -0.879 107.970 108.800 0.082 0.000 2.916 128 G HA2 0.232 4.341 3.960 0.249 0.000 0.144 128 G HA3 0.232 4.293 3.960 0.169 0.000 0.144 128 G C -1.945 172.993 174.900 0.063 0.000 1.484 128 G CA 0.716 45.919 45.100 0.171 0.000 0.984 128 G HN -0.338 7.885 8.290 -0.019 0.056 0.720 129 K N -3.096 117.351 120.400 0.080 0.000 2.829 129 K HA 0.072 4.526 4.320 0.001 -0.134 0.136 129 K C 0.133 176.801 176.600 0.114 0.000 1.130 129 K CA -0.161 56.161 56.287 0.059 0.000 1.121 129 K CB -0.031 32.491 32.500 0.038 0.000 0.891 129 K HN -0.468 7.846 8.250 0.106 0.000 0.398 130 F N 4.190 124.019 119.950 -0.202 0.000 2.463 130 F HA -0.100 4.397 4.527 -0.234 -0.110 0.381 130 F C -0.941 174.622 175.800 -0.395 0.000 1.161 130 F CA -0.235 57.601 58.000 -0.274 0.000 1.388 130 F CB -2.007 36.825 39.000 -0.280 0.000 1.701 130 F HN -0.449 8.003 8.300 0.254 0.000 0.651 131 S N -1.066 114.518 115.700 -0.193 0.000 2.461 131 S HA 0.183 4.361 4.470 -0.486 0.000 0.322 131 S C -0.324 174.137 174.600 -0.231 0.000 1.063 131 S CA -0.637 57.390 58.200 -0.288 0.000 1.120 131 S CB 1.065 64.157 63.200 -0.180 0.000 0.968 131 S HN 0.153 8.224 8.310 -0.107 0.175 0.467 132 G N 7.058 115.694 108.800 -0.275 0.000 1.829 132 G HA2 -0.265 3.627 3.960 -0.112 0.000 0.214 132 G HA3 -0.265 3.606 3.960 -0.148 0.000 0.214 132 G C -0.129 174.655 174.900 -0.193 0.000 1.627 132 G CA 0.737 45.732 45.100 -0.175 0.000 1.390 132 G HN -0.057 7.988 8.290 -0.408 0.000 0.458 133 E N 3.606 123.680 120.200 -0.210 0.000 2.076 133 E HA -0.152 4.112 4.350 -0.145 0.000 0.190 133 E C 1.714 178.142 176.600 -0.286 0.000 0.979 133 E CA 3.072 59.348 56.400 -0.205 0.000 0.807 133 E CB -0.079 29.504 29.700 -0.195 0.000 0.761 133 E HN 0.471 8.703 8.360 -0.212 0.000 0.454 134 E N -0.792 119.141 120.200 -0.445 0.000 2.047 134 E HA -0.284 3.722 4.350 -0.574 0.000 0.191 134 E C 2.181 178.543 176.600 -0.397 0.000 0.987 134 E CA 3.331 59.353 56.400 -0.629 0.000 0.799 134 E CB -1.123 27.732 29.700 -1.408 0.000 0.752 134 E HN 0.463 8.554 8.360 -0.448 0.000 0.449 135 L N -1.362 119.588 121.223 -0.455 0.000 2.056 135 L HA -0.326 3.645 4.340 -0.615 0.000 0.207 135 L C 1.730 178.337 176.870 -0.438 0.000 1.078 135 L CA 3.102 57.539 54.840 -0.671 0.000 0.749 135 L CB -0.222 41.084 42.059 -1.254 0.000 0.901 135 L HN -0.409 7.543 8.230 -0.463 0.000 0.433 136 D N -0.492 119.752 120.400 -0.261 0.000 2.116 136 D HA -0.346 4.341 4.640 0.077 0.000 0.193 136 D C 2.510 178.839 176.300 0.048 0.000 0.998 136 D CA 3.602 57.584 54.000 -0.030 0.000 0.836 136 D CB -0.645 40.139 40.800 -0.026 0.000 0.951 136 D HN -0.285 7.796 8.370 -0.296 0.111 0.449 137 K N -0.079 120.303 120.400 -0.030 0.000 2.032 137 K HA -0.315 4.025 4.320 0.033 0.000 0.209 137 K C 2.460 179.116 176.600 0.094 0.000 1.048 137 K CA 3.176 59.471 56.287 0.013 0.000 0.927 137 K CB -0.040 32.434 32.500 -0.044 0.000 0.712 137 K HN -0.329 7.855 8.250 -0.111 0.000 0.441 138 L N 0.129 121.397 121.223 0.075 0.000 2.021 138 L HA -0.392 4.250 4.340 0.142 -0.217 0.215 138 L C 2.648 179.809 176.870 0.485 0.000 1.074 138 L CA 3.021 57.965 54.840 0.174 0.000 0.760 138 L CB -0.155 41.911 42.059 0.012 0.000 0.889 138 L HN -0.197 7.949 8.230 -0.034 0.063 0.433 139 W N -2.724 118.595 121.300 0.032 0.000 2.358 139 W HA -0.478 4.346 4.660 0.273 0.000 0.303 139 W C 2.235 178.765 176.519 0.018 0.000 1.208 139 W CA 2.033 59.466 57.345 0.147 0.000 1.274 139 W CB -0.039 29.554 29.460 0.222 0.000 1.138 139 W HN 0.172 8.587 8.180 0.505 0.068 0.515 140 R N -1.288 119.287 120.500 0.125 0.000 2.112 140 R HA -0.510 3.481 4.340 -0.581 0.000 0.242 140 R C 2.397 178.480 176.300 -0.362 0.000 1.137 140 R CA 4.017 59.943 56.100 -0.290 0.000 0.944 140 R CB -0.146 30.100 30.300 -0.089 0.000 0.857 140 R HN 0.338 8.543 8.270 0.210 0.192 0.435 141 E N -2.337 117.908 120.200 0.074 0.000 2.158 141 E HA -0.167 4.405 4.350 0.369 0.000 0.191 141 E C 2.353 179.140 176.600 0.312 0.000 0.982 141 E CA 2.204 58.766 56.400 0.271 0.000 0.823 141 E CB -0.369 29.486 29.700 0.258 0.000 0.766 141 E HN -0.320 8.120 8.360 0.132 0.000 0.468 142 F N 1.507 121.446 119.950 -0.018 0.000 2.060 142 F HA -0.311 4.136 4.527 -0.135 0.000 0.295 142 F C 1.752 177.423 175.800 -0.216 0.000 1.120 142 F CA 3.420 61.314 58.000 -0.178 0.000 1.205 142 F CB 0.192 38.925 39.000 -0.445 0.000 0.986 142 F HN 0.205 8.540 8.300 0.388 0.198 0.470 143 L N -4.076 117.052 121.223 -0.159 0.000 2.093 143 L HA -0.368 3.822 4.340 -0.249 0.000 0.208 143 L C 1.732 178.631 176.870 0.047 0.000 1.085 143 L CA 4.001 58.743 54.840 -0.164 0.000 0.755 143 L CB -1.127 40.831 42.059 -0.168 0.000 0.904 143 L HN 0.392 8.413 8.230 -0.165 0.110 0.435 144 H N -1.008 118.085 119.070 0.039 0.000 2.421 144 H HA -0.380 4.252 4.556 0.011 -0.070 0.298 144 H C 2.657 177.997 175.328 0.019 0.000 1.087 144 H CA 3.114 59.190 56.048 0.047 0.000 1.330 144 H CB -0.071 29.755 29.762 0.105 0.000 1.388 144 H HN -0.428 7.879 8.280 0.045 0.000 0.526 145 H N -0.626 118.486 119.070 0.069 0.000 2.363 145 H HA -0.212 4.375 4.556 0.051 0.000 0.301 145 H C 2.106 177.384 175.328 -0.084 0.000 1.074 145 H CA 4.131 60.173 56.048 -0.010 0.000 1.354 145 H CB 0.252 29.965 29.762 -0.083 0.000 1.397 145 H HN 0.014 8.278 8.280 0.332 0.215 0.516 146 K N -1.258 119.100 120.400 -0.070 0.000 2.057 146 K HA -0.344 3.861 4.320 -0.191 0.000 0.207 146 K C 2.478 178.869 176.600 -0.348 0.000 1.049 146 K CA 3.597 59.751 56.287 -0.222 0.000 0.931 146 K CB -0.252 32.071 32.500 -0.296 0.000 0.714 146 K HN -0.129 7.994 8.250 -0.069 0.086 0.440 147 E N -1.957 118.098 120.200 -0.241 0.000 2.072 147 E HA -0.126 3.864 4.350 -0.600 0.000 0.190 147 E C 2.539 179.231 176.600 0.153 0.000 0.982 147 E CA 2.326 58.640 56.400 -0.143 0.000 0.803 147 E CB -0.691 29.006 29.700 -0.005 0.000 0.755 147 E HN -0.045 8.239 8.360 -0.126 0.000 0.453 148 K N -0.662 119.758 120.400 0.034 0.000 2.103 148 K HA -0.213 4.037 4.320 -0.116 0.000 0.204 148 K C 2.373 179.056 176.600 0.139 0.000 1.052 148 K CA 2.866 59.157 56.287 0.006 0.000 0.945 148 K CB 0.202 32.696 32.500 -0.011 0.000 0.722 148 K HN -0.173 8.076 8.250 -0.001 0.000 0.443 149 V N -1.874 118.119 119.914 0.132 0.000 2.283 149 V HA -0.334 3.905 4.120 0.198 0.000 0.243 149 V C 1.237 177.460 176.094 0.215 0.000 1.039 149 V CA 3.698 66.094 62.300 0.161 0.000 1.016 149 V CB -0.586 31.288 31.823 0.085 0.000 0.650 149 V HN 0.300 8.413 8.190 0.060 0.113 0.449 150 H N -2.328 116.741 119.070 -0.001 0.000 2.495 150 H HA -0.127 4.432 4.556 0.004 0.000 0.287 150 H C 1.936 177.248 175.328 -0.026 0.000 1.033 150 H CA 2.228 58.270 56.048 -0.010 0.000 1.307 150 H CB -0.257 29.490 29.762 -0.025 0.000 1.401 150 H HN -0.287 8.163 8.280 0.285 0.000 0.555 151 E N 0.762 120.950 120.200 -0.020 0.000 2.028 151 E HA -0.306 3.731 4.350 -0.523 0.000 0.190 151 E C 2.193 178.672 176.600 -0.202 0.000 0.984 151 E CA 2.919 59.136 56.400 -0.305 0.000 0.800 151 E CB -0.290 29.252 29.700 -0.265 0.000 0.758 151 E HN -0.311 8.171 8.360 0.419 0.129 0.448 152 Y N -0.450 119.832 120.300 -0.030 0.000 2.165 152 Y HA -0.375 4.154 4.550 -0.034 0.000 0.286 152 Y C 2.302 178.186 175.900 -0.026 0.000 1.155 152 Y CA 3.717 61.801 58.100 -0.027 0.000 1.164 152 Y CB -0.571 37.879 38.460 -0.017 0.000 0.978 152 Y HN -0.145 8.117 8.280 -0.029 0.000 0.513 153 N N -0.391 118.394 118.700 0.142 0.000 2.120 153 N HA -0.377 4.414 4.740 0.084 0.000 0.188 153 N C 2.141 177.664 175.510 0.022 0.000 1.024 153 N CA 3.182 56.278 53.050 0.075 0.000 0.852 153 N CB -0.082 38.445 38.487 0.066 0.000 1.003 153 N HN -0.114 8.354 8.380 0.157 0.005 0.424 154 V N 0.650 120.540 119.914 -0.041 0.000 2.407 154 V HA -0.377 3.710 4.120 -0.055 0.000 0.248 154 V C 1.916 177.987 176.094 -0.039 0.000 1.055 154 V CA 4.078 66.333 62.300 -0.075 0.000 1.049 154 V CB -0.459 31.259 31.823 -0.174 0.000 0.662 154 V HN -0.176 7.785 8.190 -0.072 0.186 0.455 155 L N -1.802 119.410 121.223 -0.019 0.000 2.005 155 L HA -0.353 3.980 4.340 -0.012 0.000 0.207 155 L C 2.255 179.150 176.870 0.040 0.000 1.072 155 L CA 3.169 58.016 54.840 0.011 0.000 0.744 155 L CB -0.060 42.027 42.059 0.047 0.000 0.895 155 L HN -0.350 7.757 8.230 -0.023 0.110 0.433 156 L N -2.298 118.965 121.223 0.067 0.000 2.083 156 L HA -0.352 4.035 4.340 0.078 0.000 0.209 156 L C 1.949 178.850 176.870 0.051 0.000 1.083 156 L CA 3.733 58.616 54.840 0.072 0.000 0.752 156 L CB -0.821 41.288 42.059 0.083 0.000 0.899 156 L HN 0.292 8.573 8.230 0.086 0.000 0.433 157 E N -1.801 118.417 120.200 0.031 0.000 2.274 157 E HA -0.199 4.163 4.350 0.020 0.000 0.194 157 E C 2.207 178.815 176.600 0.013 0.000 0.996 157 E CA 2.526 58.937 56.400 0.017 0.000 0.840 157 E CB -0.267 29.436 29.700 0.005 0.000 0.772 157 E HN 0.447 8.706 8.360 0.028 0.118 0.491 158 T N 2.107 116.667 114.554 0.010 0.000 2.809 158 T HA -0.190 4.161 4.350 0.001 0.000 0.260 158 T C 1.881 176.591 174.700 0.017 0.000 1.039 158 T CA 4.366 66.469 62.100 0.005 0.000 1.141 158 T CB -0.131 68.733 68.868 -0.007 0.000 0.869 158 T HN -0.173 7.828 8.240 0.011 0.246 0.437 159 L N -1.197 120.042 121.223 0.028 0.000 2.093 159 L HA 0.142 4.499 4.340 0.028 0.000 0.208 159 L C 2.505 179.402 176.870 0.045 0.000 1.085 159 L CA 2.592 57.453 54.840 0.036 0.000 0.755 159 L CB -1.157 40.928 42.059 0.043 0.000 0.904 159 L HN 0.141 8.389 8.230 0.030 0.000 0.435 160 S N 0.713 116.444 115.700 0.051 0.000 2.380 160 S HA -0.441 4.074 4.470 0.074 0.000 0.229 160 S C 1.684 176.307 174.600 0.039 0.000 1.043 160 S CA 3.708 61.939 58.200 0.053 0.000 1.038 160 S CB -0.725 62.498 63.200 0.038 0.000 0.872 160 S HN 0.035 8.375 8.310 0.049 0.000 0.456 161 R N -2.372 118.146 120.500 0.029 0.000 2.153 161 R HA -0.078 4.277 4.340 0.026 0.000 0.218 161 R C 1.913 178.232 176.300 0.030 0.000 1.072 161 R CA 2.061 58.177 56.100 0.026 0.000 0.990 161 R CB -0.131 30.181 30.300 0.020 0.000 0.889 161 R HN -0.695 7.584 8.270 0.026 0.007 0.452 162 T N 3.018 117.590 114.554 0.030 0.000 4.210 162 T HA -0.213 4.152 4.350 0.025 0.000 0.247 162 T C -0.546 174.174 174.700 0.033 0.000 0.883 162 T CA 2.944 65.061 62.100 0.029 0.000 0.927 162 T CB -1.189 67.694 68.868 0.026 0.000 1.271 162 T HN -0.324 7.768 8.240 0.030 0.166 0.692 163 E N 0.298 120.520 120.200 0.037 0.000 2.629 163 E HA 0.054 4.425 4.350 0.035 0.000 0.196 163 E C -0.419 176.207 176.600 0.043 0.000 0.977 163 E CA 1.296 57.718 56.400 0.037 0.000 1.663 163 E CB 1.803 31.525 29.700 0.037 0.000 2.258 163 E HN 0.693 8.943 8.360 0.037 0.132 1.079 164 E N -0.166 120.062 120.200 0.046 0.000 2.685 164 E HA 0.207 4.594 4.350 0.061 0.000 0.208 164 E C -0.878 175.776 176.600 0.090 0.000 0.996 164 E CA -1.688 54.745 56.400 0.055 0.000 1.054 164 E CB 0.821 30.537 29.700 0.026 0.000 1.075 164 E HN -0.278 8.106 8.360 0.041 0.000 0.460 165 I N -0.257 120.367 120.570 0.090 0.000 3.045 165 I HA -0.248 3.969 4.170 0.078 0.000 0.288 165 I C -0.795 175.437 176.117 0.192 0.000 1.238 165 I CA 1.732 63.088 61.300 0.093 0.000 1.396 165 I CB 0.588 38.613 38.000 0.042 0.000 1.355 165 I HN -0.402 7.776 8.210 0.069 0.072 0.601 166 H N 5.144 124.214 119.070 -0.000 0.000 3.951 166 H HA -0.020 4.536 4.556 -0.001 0.000 0.280 166 H C -1.239 174.088 175.328 -0.001 0.000 1.039 166 H CA 0.100 56.147 56.048 -0.001 0.000 1.125 166 H CB 0.423 30.185 29.762 -0.001 0.000 3.611 166 H HN 0.113 8.455 8.280 0.103 0.000 0.772 167 E N -0.268 119.954 120.200 0.036 0.000 2.294 167 E HA -0.336 4.022 4.350 0.014 0.000 0.228 167 E C -1.435 175.191 176.600 0.044 0.000 1.253 167 E CA 1.098 57.509 56.400 0.019 0.000 0.716 167 E CB -1.774 27.917 29.700 -0.015 0.000 1.184 167 E HN 0.419 8.795 8.360 0.027 0.000 0.374 168 N N -3.126 115.613 118.700 0.066 0.000 3.085 168 N HA 0.052 4.815 4.740 0.039 0.000 0.270 168 N C -1.330 174.203 175.510 0.037 0.000 1.319 168 N CA 0.512 53.594 53.050 0.054 0.000 1.379 168 N CB 0.772 39.303 38.487 0.073 0.000 0.903 168 N HN 0.030 8.445 8.380 0.078 0.012 1.080 169 V N -0.109 119.828 119.914 0.038 0.000 2.950 169 V HA 0.209 4.342 4.120 0.021 0.000 0.295 169 V C -1.551 174.553 176.094 0.017 0.000 1.297 169 V CA -0.867 61.445 62.300 0.021 0.000 0.962 169 V CB 2.739 34.569 31.823 0.011 0.000 1.081 169 V HN -0.363 7.857 8.190 0.051 0.000 0.432 170 I N 3.644 124.222 120.570 0.015 0.000 2.948 170 I HA -0.149 4.030 4.170 0.015 0.000 0.290 170 I C -0.441 175.674 176.117 -0.004 0.000 1.226 170 I CA 0.947 62.252 61.300 0.009 0.000 1.413 170 I CB 0.758 38.764 38.000 0.010 0.000 1.352 170 I HN 0.009 8.228 8.210 0.015 0.000 0.597 171 S N 7.266 122.959 115.700 -0.011 0.000 2.690 171 S HA 0.297 4.755 4.470 -0.020 0.000 0.291 171 S C -1.882 172.710 174.600 -0.014 0.000 1.138 171 S CA -1.808 56.380 58.200 -0.020 0.000 1.013 171 S CB 1.077 64.256 63.200 -0.034 0.000 1.053 171 S HN 0.175 8.480 8.310 -0.008 0.000 0.539 172 P HA -0.059 4.355 4.420 -0.011 0.000 0.255 172 P C -1.726 175.567 177.300 -0.011 0.000 1.173 172 P CA 0.888 63.981 63.100 -0.013 0.000 0.780 172 P CB -0.080 31.612 31.700 -0.014 0.000 0.758 173 S N 2.260 117.954 115.700 -0.010 0.000 2.484 173 S HA 0.008 4.472 4.470 -0.010 0.000 0.330 173 S C -0.372 174.222 174.600 -0.011 0.000 0.882 173 S CA 0.329 58.524 58.200 -0.009 0.000 0.851 173 S CB 1.501 64.698 63.200 -0.005 0.000 1.146 173 S HN -0.365 7.939 8.310 -0.010 0.000 0.466 174 D N 5.456 125.846 120.400 -0.017 0.000 2.203 174 D HA -0.214 4.412 4.640 -0.024 0.000 0.199 174 D C -0.406 175.876 176.300 -0.030 0.000 0.997 174 D CA 2.081 56.065 54.000 -0.026 0.000 0.863 174 D CB 0.241 41.020 40.800 -0.035 0.000 0.928 174 D HN 0.261 8.621 8.370 -0.016 0.000 0.458 175 L N -3.047 118.165 121.223 -0.019 0.000 2.685 175 L HA 0.139 4.479 4.340 0.000 0.000 0.297 175 L C -2.142 174.740 176.870 0.020 0.000 1.367 175 L CA -0.596 54.242 54.840 -0.003 0.000 0.703 175 L CB 0.296 42.341 42.059 -0.023 0.000 1.039 175 L HN -0.616 7.585 8.230 -0.014 0.020 0.529 176 S N 1.129 116.838 115.700 0.014 0.000 3.697 176 S HA -0.444 4.032 4.470 0.009 0.000 0.569 176 S C -1.277 173.332 174.600 0.014 0.000 0.803 176 S CA 0.813 59.022 58.200 0.016 0.000 1.299 176 S CB 0.265 63.480 63.200 0.026 0.000 1.561 176 S HN -0.363 7.951 8.310 0.007 0.000 0.611 177 D N 5.126 125.529 120.400 0.005 0.000 2.612 177 D HA -0.253 4.388 4.640 0.003 0.000 0.260 177 D C -0.553 175.749 176.300 0.004 0.000 1.315 177 D CA 1.047 55.048 54.000 0.002 0.000 1.376 177 D CB 0.015 40.813 40.800 -0.003 0.000 1.147 177 D HN -0.306 8.065 8.370 0.001 0.000 0.521 178 I N 2.631 123.207 120.570 0.009 0.000 2.934 178 I HA 0.067 4.238 4.170 0.001 0.000 0.315 178 I C 0.847 176.958 176.117 -0.009 0.000 0.997 178 I CA -0.864 60.437 61.300 0.003 0.000 1.184 178 I CB 1.607 39.614 38.000 0.012 0.000 1.400 178 I HN 0.076 8.282 8.210 0.015 0.013 0.549 179 K N 2.920 123.306 120.400 -0.023 0.000 2.520 179 K HA 0.025 4.332 4.320 -0.022 0.000 0.205 179 K C 0.059 176.628 176.600 -0.053 0.000 1.035 179 K CA 0.061 56.330 56.287 -0.031 0.000 1.188 179 K CB -0.828 31.653 32.500 -0.031 0.000 0.894 179 K HN 0.387 8.622 8.250 -0.025 0.000 0.497 180 G N -0.674 108.089 108.800 -0.062 0.000 2.547 180 G HA2 -0.347 3.557 3.960 -0.093 0.000 0.226 180 G HA3 -0.347 3.570 3.960 -0.072 0.000 0.226 180 G C -0.805 173.959 174.900 -0.228 0.000 0.871 180 G CA 0.149 45.185 45.100 -0.108 0.000 1.142 180 G HN -0.106 8.053 8.290 -0.039 0.108 0.362 181 S N 1.791 117.238 115.700 -0.422 0.000 3.327 181 S HA -0.037 4.073 4.470 -0.600 0.000 0.175 181 S C -1.380 172.797 174.600 -0.705 0.000 0.888 181 S CA 0.184 58.063 58.200 -0.535 0.000 1.332 181 S CB 0.357 63.426 63.200 -0.219 0.000 1.191 181 S HN 0.194 8.268 8.310 -0.394 0.000 0.367 182 V N 0.176 119.929 119.914 -0.269 0.000 3.103 182 V HA 0.306 4.550 4.120 0.208 0.000 0.318 182 V C -0.096 176.116 176.094 0.198 0.000 1.114 182 V CA -1.956 60.377 62.300 0.055 0.000 1.020 182 V CB 2.450 34.293 31.823 0.032 0.000 1.085 182 V HN -0.544 7.531 8.190 -0.192 0.000 0.446 183 L N -2.775 118.572 121.223 0.208 0.000 5.259 183 L HA -0.387 4.007 4.340 0.090 0.000 0.412 183 L C 0.373 177.318 176.870 0.126 0.000 0.876 183 L CA 2.160 57.088 54.840 0.146 0.000 1.762 183 L CB -0.307 41.834 42.059 0.138 0.000 1.441 183 L HN 0.549 8.882 8.230 0.173 0.000 0.615 184 H N -4.434 114.575 119.070 -0.101 0.000 2.326 184 H HA -0.162 4.232 4.556 -0.271 0.000 0.301 184 H C 2.015 176.926 175.328 -0.694 0.000 1.081 184 H CA 2.131 57.988 56.048 -0.319 0.000 1.334 184 H CB -0.320 29.391 29.762 -0.086 0.000 1.385 184 H HN 0.104 8.532 8.280 0.562 0.189 0.504 185 S N -0.639 114.391 115.700 -1.118 0.000 2.406 185 S HA -0.237 3.786 4.470 -0.744 0.000 0.228 185 S C 1.972 176.304 174.600 -0.447 0.000 1.020 185 S CA 2.917 60.629 58.200 -0.813 0.000 0.965 185 S CB -0.726 62.034 63.200 -0.734 0.000 0.798 185 S HN 0.465 7.950 8.310 -1.374 0.000 0.488 186 R N 2.441 122.757 120.500 -0.306 0.000 2.062 186 R HA -0.170 4.098 4.340 -0.120 0.000 0.229 186 R C 2.460 178.701 176.300 -0.098 0.000 1.128 186 R CA 2.245 58.260 56.100 -0.141 0.000 0.960 186 R CB -1.126 29.150 30.300 -0.040 0.000 0.855 186 R HN 0.031 8.035 8.270 -0.270 0.104 0.432 187 H N -1.312 117.745 119.070 -0.021 0.000 2.395 187 H HA -0.065 4.488 4.556 -0.005 0.000 0.299 187 H C 2.013 177.322 175.328 -0.032 0.000 1.070 187 H CA 2.626 58.667 56.048 -0.012 0.000 1.356 187 H CB -1.202 28.566 29.762 0.010 0.000 1.401 187 H HN 0.125 8.270 8.280 -0.226 0.000 0.524 188 T N 2.287 116.683 114.554 -0.264 0.000 2.708 188 T HA -0.406 4.140 4.350 0.325 0.000 0.266 188 T C 2.164 176.839 174.700 -0.041 0.000 1.037 188 T CA 5.003 67.095 62.100 -0.014 0.000 1.146 188 T CB -0.502 68.212 68.868 -0.257 0.000 0.865 188 T HN -0.001 7.550 8.240 -1.150 0.000 0.435 189 E N 2.289 122.415 120.200 -0.125 0.000 2.077 189 E HA -0.262 4.024 4.350 -0.107 0.000 0.193 189 E C 2.315 178.856 176.600 -0.100 0.000 0.989 189 E CA 2.877 59.211 56.400 -0.111 0.000 0.800 189 E CB -0.415 29.212 29.700 -0.122 0.000 0.746 189 E HN -0.320 7.810 8.360 -0.203 0.108 0.452 190 L N -1.296 119.893 121.223 -0.057 0.000 2.042 190 L HA -0.329 3.932 4.340 -0.131 0.000 0.210 190 L C 2.346 179.184 176.870 -0.053 0.000 1.076 190 L CA 3.278 58.087 54.840 -0.052 0.000 0.749 190 L CB -0.745 41.340 42.059 0.042 0.000 0.893 190 L HN -0.032 8.177 8.230 -0.036 0.000 0.432 191 K N -1.952 118.451 120.400 0.006 0.000 2.217 191 K HA -0.305 4.017 4.320 0.003 0.000 0.202 191 K C 2.556 179.139 176.600 -0.029 0.000 1.051 191 K CA 3.514 59.805 56.287 0.007 0.000 0.952 191 K CB -0.371 32.160 32.500 0.051 0.000 0.736 191 K HN -0.004 8.181 8.250 0.049 0.095 0.453 192 E N 0.705 120.874 120.200 -0.050 0.000 2.047 192 E HA -0.384 3.942 4.350 -0.040 0.000 0.191 192 E C 2.085 178.626 176.600 -0.098 0.000 0.987 192 E CA 3.482 59.843 56.400 -0.064 0.000 0.799 192 E CB -0.019 29.638 29.700 -0.071 0.000 0.752 192 E HN -0.073 8.120 8.360 -0.048 0.138 0.449 193 K N -1.591 118.705 120.400 -0.173 0.000 2.062 193 K HA -0.220 3.991 4.320 -0.182 0.000 0.205 193 K C 2.545 179.015 176.600 -0.216 0.000 1.051 193 K CA 2.915 59.051 56.287 -0.251 0.000 0.941 193 K CB -0.047 32.163 32.500 -0.483 0.000 0.719 193 K HN -0.055 8.083 8.250 -0.187 0.000 0.440 194 L N -0.993 120.116 121.223 -0.189 0.000 2.056 194 L HA -0.237 4.068 4.340 -0.059 0.000 0.207 194 L C 1.610 178.468 176.870 -0.021 0.000 1.078 194 L CA 3.123 57.920 54.840 -0.072 0.000 0.749 194 L CB -0.630 41.423 42.059 -0.010 0.000 0.901 194 L HN 0.055 8.164 8.230 -0.203 0.000 0.433 195 R N -1.086 119.399 120.500 -0.024 0.000 2.092 195 R HA -0.315 4.032 4.340 0.011 0.000 0.231 195 R C 2.188 178.492 176.300 0.007 0.000 1.119 195 R CA 2.793 58.892 56.100 -0.002 0.000 0.970 195 R CB -1.370 28.927 30.300 -0.004 0.000 0.864 195 R HN 0.223 8.349 8.270 -0.041 0.120 0.440 196 S N 1.685 117.378 115.700 -0.012 0.000 2.368 196 S HA -0.299 4.178 4.470 0.013 0.000 0.225 196 S C 2.305 176.931 174.600 0.043 0.000 1.030 196 S CA 3.302 61.505 58.200 0.004 0.000 0.999 196 S CB -0.286 62.901 63.200 -0.022 0.000 0.844 196 S HN -0.358 7.930 8.310 -0.038 0.000 0.459 197 I N 1.740 122.330 120.570 0.034 0.000 2.315 197 I HA -0.529 3.739 4.170 0.163 0.000 0.248 197 I C 1.243 177.487 176.117 0.212 0.000 1.117 197 I CA 3.790 65.153 61.300 0.106 0.000 1.404 197 I CB -0.315 37.665 38.000 -0.033 0.000 1.071 197 I HN -0.054 8.058 8.210 -0.013 0.089 0.419 198 N N -0.096 118.672 118.700 0.113 0.000 2.069 198 N HA -0.410 4.395 4.740 0.109 0.000 0.191 198 N C 2.116 177.671 175.510 0.075 0.000 1.031 198 N CA 3.658 56.762 53.050 0.090 0.000 0.852 198 N CB 0.081 38.596 38.487 0.047 0.000 1.018 198 N HN 0.060 8.271 8.380 0.066 0.209 0.423 199 Q N -0.482 119.357 119.800 0.064 0.000 2.096 199 Q HA -0.353 4.135 4.340 0.040 -0.123 0.204 199 Q C 2.698 178.737 176.000 0.066 0.000 0.982 199 Q CA 3.006 58.841 55.803 0.052 0.000 0.850 199 Q CB 0.042 28.805 28.738 0.042 0.000 0.901 199 Q HN 0.168 8.472 8.270 0.058 0.000 0.422 200 G N -0.522 108.342 108.800 0.107 0.000 2.459 200 G HA2 -0.310 3.706 3.960 0.093 0.000 0.217 200 G HA3 -0.310 3.776 3.960 0.211 0.000 0.217 200 G C 1.074 175.989 174.900 0.025 0.000 1.183 200 G CA 2.118 47.290 45.100 0.119 0.000 0.776 200 G HN -0.079 8.201 8.290 0.127 0.086 0.552 201 L N 0.530 121.725 121.223 -0.046 0.000 2.083 201 L HA -0.319 3.836 4.340 -0.310 0.000 0.209 201 L C 1.241 178.108 176.870 -0.005 0.000 1.083 201 L CA 2.797 57.529 54.840 -0.179 0.000 0.752 201 L CB -0.562 41.367 42.059 -0.216 0.000 0.899 201 L HN -0.090 8.194 8.230 0.090 0.000 0.433 202 D N -0.572 119.841 120.400 0.021 0.000 2.123 202 D HA -0.428 4.240 4.640 0.047 0.000 0.196 202 D C 1.921 178.255 176.300 0.056 0.000 0.992 202 D CA 3.336 57.361 54.000 0.041 0.000 0.833 202 D CB -0.610 40.209 40.800 0.033 0.000 0.954 202 D HN -0.010 8.273 8.370 0.025 0.102 0.455 203 R N -0.241 120.291 120.500 0.053 0.000 2.081 203 R HA -0.258 4.116 4.340 0.058 0.000 0.235 203 R C 2.067 178.415 176.300 0.079 0.000 1.131 203 R CA 2.684 58.821 56.100 0.061 0.000 0.960 203 R CB -0.339 29.996 30.300 0.058 0.000 0.856 203 R HN -0.274 7.919 8.270 0.046 0.104 0.436 204 L N -1.002 120.273 121.223 0.086 0.000 2.042 204 L HA -0.419 3.987 4.340 0.110 0.000 0.210 204 L C 2.194 179.156 176.870 0.152 0.000 1.076 204 L CA 3.316 58.232 54.840 0.127 0.000 0.749 204 L CB -0.417 41.749 42.059 0.179 0.000 0.893 204 L HN -0.046 8.122 8.230 0.059 0.097 0.432 205 R N -1.786 118.814 120.500 0.166 0.000 2.070 205 R HA -0.390 4.070 4.340 0.200 0.000 0.233 205 R C 2.641 179.022 176.300 0.135 0.000 1.137 205 R CA 3.911 60.109 56.100 0.165 0.000 0.945 205 R CB -0.311 30.070 30.300 0.136 0.000 0.845 205 R HN -0.154 8.100 8.270 0.147 0.104 0.430 206 R N -1.240 119.322 120.500 0.103 0.000 2.152 206 R HA -0.294 4.113 4.340 0.112 0.000 0.232 206 R C 2.669 179.033 176.300 0.107 0.000 1.117 206 R CA 3.261 59.421 56.100 0.099 0.000 0.981 206 R CB -0.384 29.957 30.300 0.069 0.000 0.870 206 R HN -0.211 8.112 8.270 0.089 0.000 0.451 207 V N 0.424 120.396 119.914 0.096 0.000 2.307 207 V HA -0.353 3.866 4.120 0.077 -0.052 0.245 207 V C 1.471 177.603 176.094 0.064 0.000 1.045 207 V CA 3.633 65.983 62.300 0.083 0.000 1.024 207 V CB -0.234 31.643 31.823 0.089 0.000 0.651 207 V HN 0.096 8.116 8.190 0.099 0.229 0.449 208 S N -1.143 114.597 115.700 0.066 0.000 2.428 208 S HA -0.251 4.178 4.470 -0.069 0.000 0.230 208 S C 1.551 176.151 174.600 0.001 0.000 1.014 208 S CA 2.831 61.034 58.200 0.006 0.000 0.957 208 S CB 0.465 63.676 63.200 0.019 0.000 0.784 208 S HN -0.202 8.164 8.310 0.093 0.000 0.499 209 H N -0.973 118.091 119.070 -0.011 0.000 2.592 209 H HA 0.170 4.692 4.556 -0.057 0.000 0.265 209 H C 0.693 176.009 175.328 -0.020 0.000 0.955 209 H CA 1.656 57.688 56.048 -0.026 0.000 1.175 209 H CB 1.302 31.060 29.762 -0.006 0.000 1.433 209 H HN -0.080 8.191 8.280 0.189 0.122 0.537 210 Q N -3.108 116.749 119.800 0.096 0.000 2.330 210 Q HA 0.112 4.485 4.340 0.055 0.000 0.254 210 Q C 1.076 177.123 176.000 0.078 0.000 0.777 210 Q CA 0.149 55.998 55.803 0.077 0.000 0.972 210 Q CB 2.256 31.045 28.738 0.086 0.000 1.236 210 Q HN 0.269 8.360 8.270 0.104 0.242 0.508 211 G N 0.492 109.334 108.800 0.070 0.000 3.135 211 G HA2 -0.218 3.779 3.960 0.062 0.000 0.208 211 G HA3 -0.218 3.747 3.960 0.062 0.031 0.208 211 G C -0.963 173.956 174.900 0.032 0.000 1.212 211 G CA 0.185 45.320 45.100 0.059 0.000 0.928 211 G HN -0.536 7.656 8.290 0.072 0.141 0.500 212 Y N -0.966 119.260 120.300 -0.123 0.000 2.652 212 Y HA -0.246 4.096 4.550 -0.347 0.000 0.344 212 Y C -0.153 175.685 175.900 -0.104 0.000 1.254 212 Y CA 0.165 58.147 58.100 -0.197 0.000 1.480 212 Y CB 0.631 38.980 38.460 -0.184 0.000 1.345 212 Y HN -0.533 7.652 8.280 0.146 0.183 0.617 213 S N 3.475 118.677 115.700 -0.831 0.000 2.554 213 S HA -0.201 4.143 4.470 -0.210 0.000 0.290 213 S C -0.248 174.233 174.600 -0.198 0.000 1.309 213 S CA 1.876 59.810 58.200 -0.443 0.000 1.047 213 S CB 0.349 63.225 63.200 -0.541 0.000 0.828 213 S HN 0.361 7.676 8.310 -1.659 0.000 0.509 214 T N 3.059 117.565 114.554 -0.079 0.000 3.824 214 T HA -0.013 4.336 4.350 -0.002 0.000 0.274 214 T C -1.348 173.358 174.700 0.009 0.000 0.906 214 T CA 0.215 62.310 62.100 -0.009 0.000 1.170 214 T CB 0.345 69.228 68.868 0.025 0.000 1.047 214 T HN 0.106 8.304 8.240 -0.070 0.000 0.421 215 E N 1.445 121.662 120.200 0.028 0.000 2.375 215 E HA 0.114 4.479 4.350 0.026 0.000 0.280 215 E C -2.420 174.229 176.600 0.081 0.000 0.972 215 E CA 0.110 56.544 56.400 0.055 0.000 0.782 215 E CB 1.771 31.531 29.700 0.100 0.000 1.229 215 E HN -0.118 8.260 8.360 0.029 0.000 0.439 216 A N 4.406 127.259 122.820 0.054 0.000 2.401 216 A HA 0.201 4.651 4.320 0.216 0.000 0.313 216 A C -1.940 175.577 177.584 -0.112 0.000 1.013 216 A CA 0.393 52.466 52.037 0.060 0.000 1.034 216 A CB 1.069 20.090 19.000 0.035 0.000 1.324 216 A HN 0.180 8.332 8.150 0.003 0.000 0.366 217 E N 0.002 120.002 120.200 -0.333 0.000 3.303 217 E HA 0.236 4.404 4.350 -0.302 0.000 0.142 217 E C -1.445 174.693 176.600 -0.769 0.000 0.921 217 E CA 0.324 56.404 56.400 -0.532 0.000 1.460 217 E CB 0.775 30.144 29.700 -0.551 0.000 1.036 217 E HN 0.155 8.355 8.360 -0.266 0.000 0.407 218 F N -1.567 118.407 119.950 0.040 0.000 2.423 218 F HA 0.154 4.740 4.527 0.098 0.000 0.269 218 F C 0.199 176.060 175.800 0.101 0.000 0.880 218 F CA 1.031 59.079 58.000 0.080 0.000 1.134 218 F CB 0.312 39.359 39.000 0.078 0.000 1.143 218 F HN -0.083 8.253 8.300 0.060 0.000 0.802 219 E N -0.352 120.024 120.200 0.292 0.000 4.211 219 E HA -0.174 4.307 4.350 0.219 0.000 0.578 219 E C -0.614 176.032 176.600 0.076 0.000 0.293 219 E CA 0.629 57.138 56.400 0.182 0.000 3.768 219 E CB 0.304 30.086 29.700 0.137 0.000 2.346 219 E HN -0.349 8.223 8.360 0.353 0.000 0.307 220 E N -3.003 117.205 120.200 0.013 0.000 3.896 220 E HA 0.282 4.530 4.350 -0.170 0.000 0.217 220 E C -1.771 174.758 176.600 -0.117 0.000 1.150 220 E CA -1.867 54.481 56.400 -0.087 0.000 1.338 220 E CB -1.691 27.978 29.700 -0.052 0.000 1.242 220 E HN 0.096 8.477 8.360 0.035 0.000 0.435 221 P HA -0.109 4.255 4.420 -0.093 0.000 0.213 221 P C 0.384 177.577 177.300 -0.179 0.000 1.169 221 P CA 1.670 64.699 63.100 -0.119 0.000 0.885 221 P CB 0.686 32.336 31.700 -0.084 0.000 0.779 222 R N -6.033 114.326 120.500 -0.235 0.000 2.702 222 R HA -0.003 4.195 4.340 -0.237 0.000 0.223 222 R C 1.023 177.075 176.300 -0.413 0.000 0.953 222 R CA 0.893 56.836 56.100 -0.262 0.000 1.068 222 R CB 0.628 30.811 30.300 -0.195 0.000 1.600 222 R HN -0.171 7.948 8.270 -0.251 0.000 0.602 223 V N -1.050 118.527 119.914 -0.561 0.000 2.245 223 V HA -0.363 3.219 4.120 -0.896 0.000 0.233 223 V C 0.997 175.999 176.094 -1.819 0.000 1.028 223 V CA 3.059 64.689 62.300 -1.116 0.000 0.991 223 V CB -0.669 30.541 31.823 -1.020 0.000 0.640 223 V HN -0.437 7.493 8.190 -0.433 0.000 0.461 224 I N -0.527 119.086 120.570 -1.594 0.000 2.367 224 I HA -0.537 3.058 4.170 -0.958 0.000 0.256 224 I C 1.889 177.715 176.117 -0.485 0.000 1.132 224 I CA 3.915 64.653 61.300 -0.936 0.000 1.397 224 I CB -1.049 36.740 38.000 -0.352 0.000 1.074 224 I HN 0.289 7.751 8.210 -1.247 0.000 0.435 225 D N -0.772 119.348 120.400 -0.465 0.000 2.103 225 D HA -0.175 4.377 4.640 -0.147 0.000 0.199 225 D C 2.115 178.299 176.300 -0.193 0.000 0.978 225 D CA 3.655 57.508 54.000 -0.245 0.000 0.829 225 D CB -0.193 40.475 40.800 -0.220 0.000 0.981 225 D HN -0.123 7.858 8.370 -0.561 0.053 0.464 226 L N -0.314 120.730 121.223 -0.298 0.000 2.131 226 L HA -0.382 3.920 4.340 -0.063 0.000 0.210 226 L C 2.479 179.430 176.870 0.134 0.000 1.092 226 L CA 2.937 57.712 54.840 -0.107 0.000 0.759 226 L CB -0.128 41.871 42.059 -0.100 0.000 0.903 226 L HN 0.159 7.913 8.230 -0.466 0.196 0.435 227 W N -2.893 118.429 121.300 0.036 0.000 2.409 227 W HA -0.235 4.583 4.660 0.264 0.000 0.299 227 W C 2.220 178.934 176.519 0.325 0.000 1.203 227 W CA 0.501 57.972 57.345 0.209 0.000 1.298 227 W CB -1.287 28.224 29.460 0.084 0.000 1.127 227 W HN 0.099 7.988 8.180 -0.457 0.016 0.528 228 D N -0.612 120.001 120.400 0.354 0.000 2.104 228 D HA -0.246 4.622 4.640 0.380 0.000 0.194 228 D C 2.938 179.349 176.300 0.184 0.000 0.994 228 D CA 3.662 57.825 54.000 0.271 0.000 0.830 228 D CB 0.300 41.170 40.800 0.117 0.000 0.959 228 D HN -0.418 7.896 8.370 0.198 0.175 0.452 229 L N -3.147 118.130 121.223 0.090 0.000 2.240 229 L HA 0.083 4.435 4.340 0.020 0.000 0.211 229 L C 1.240 178.094 176.870 -0.026 0.000 1.106 229 L CA 2.727 57.580 54.840 0.022 0.000 0.793 229 L CB -0.673 41.381 42.059 -0.008 0.000 0.927 229 L HN -0.096 8.178 8.230 0.075 0.000 0.446 230 A N -0.390 122.418 122.820 -0.021 0.000 2.038 230 A HA -0.532 3.729 4.320 -0.099 0.000 0.224 230 A C 2.410 179.809 177.584 -0.309 0.000 1.190 230 A CA 3.176 55.112 52.037 -0.167 0.000 0.668 230 A CB -1.432 17.422 19.000 -0.244 0.000 0.820 230 A HN 0.188 8.175 8.150 0.085 0.214 0.474 231 Q N -1.739 117.873 119.800 -0.314 0.000 2.197 231 Q HA -0.327 3.781 4.340 -0.386 0.000 0.207 231 Q C 2.163 178.077 176.000 -0.144 0.000 0.984 231 Q CA 2.765 58.416 55.803 -0.253 0.000 0.869 231 Q CB 0.010 28.695 28.738 -0.088 0.000 0.906 231 Q HN -0.304 7.806 8.270 -0.209 0.034 0.426 232 S N -1.769 113.872 115.700 -0.098 0.000 2.524 232 S HA -0.008 4.428 4.470 -0.057 0.000 0.216 232 S C 0.193 174.752 174.600 -0.069 0.000 0.987 232 S CA 1.043 59.204 58.200 -0.065 0.000 0.909 232 S CB 0.096 63.272 63.200 -0.040 0.000 0.781 232 S HN 0.714 8.810 8.310 -0.091 0.159 0.521 233 A N 2.288 125.054 122.820 -0.091 0.000 2.863 233 A HA -0.080 4.207 4.320 -0.055 0.000 0.246 233 A C -1.425 176.114 177.584 -0.075 0.000 1.772 233 A CA -0.446 51.546 52.037 -0.076 0.000 1.456 233 A CB -1.843 17.109 19.000 -0.081 0.000 0.930 233 A HN -0.349 7.520 8.150 -0.118 0.209 0.630 234 N N -1.403 117.260 118.700 -0.061 0.000 2.650 234 N HA -0.416 4.298 4.740 -0.044 0.000 0.300 234 N C -1.213 174.263 175.510 -0.057 0.000 1.197 234 N CA 1.220 54.241 53.050 -0.048 0.000 0.746 234 N CB -1.958 36.510 38.487 -0.031 0.000 0.976 234 N HN 0.369 8.605 8.380 -0.056 0.110 0.558 235 L N 2.494 123.672 121.223 -0.075 0.000 2.422 235 L HA 0.277 4.576 4.340 -0.068 0.000 0.263 235 L C -0.559 176.282 176.870 -0.048 0.000 1.110 235 L CA -1.806 52.984 54.840 -0.083 0.000 1.065 235 L CB 2.282 44.246 42.059 -0.159 0.000 1.701 235 L HN 0.174 8.358 8.230 -0.077 0.000 0.548 236 T N -3.056 111.468 114.554 -0.050 0.000 2.916 236 T HA 0.289 4.632 4.350 -0.012 0.000 0.305 236 T C -0.467 174.212 174.700 -0.035 0.000 1.119 236 T CA -1.085 60.999 62.100 -0.027 0.000 1.008 236 T CB 2.754 71.616 68.868 -0.009 0.000 1.129 236 T HN -0.273 7.924 8.240 -0.072 0.000 0.480 237 D N 4.408 124.798 120.400 -0.017 0.000 2.421 237 D HA -0.600 4.041 4.640 0.001 0.000 0.195 237 D C 1.461 177.752 176.300 -0.016 0.000 1.022 237 D CA 4.832 58.827 54.000 -0.008 0.000 0.871 237 D CB 0.299 41.099 40.800 -0.001 0.000 1.026 237 D HN 0.509 8.875 8.370 -0.007 0.000 0.462 238 K N -1.874 118.502 120.400 -0.040 0.000 1.990 238 K HA -0.532 3.767 4.320 -0.035 0.000 0.225 238 K C 2.037 178.607 176.600 -0.050 0.000 1.053 238 K CA 3.546 59.799 56.287 -0.058 0.000 0.982 238 K CB -0.377 32.053 32.500 -0.117 0.000 0.734 238 K HN -0.053 8.173 8.250 -0.041 0.000 0.448 239 E N -1.548 118.598 120.200 -0.090 0.000 2.136 239 E HA -0.385 3.930 4.350 -0.057 0.000 0.202 239 E C 2.581 179.189 176.600 0.012 0.000 1.019 239 E CA 2.509 58.873 56.400 -0.059 0.000 0.819 239 E CB -1.117 28.531 29.700 -0.087 0.000 0.739 239 E HN 0.011 8.285 8.360 -0.143 0.000 0.458 240 L N -0.244 120.982 121.223 0.005 0.000 1.925 240 L HA -0.420 3.950 4.340 0.050 0.000 0.215 240 L C 1.943 178.919 176.870 0.176 0.000 1.082 240 L CA 3.127 58.010 54.840 0.072 0.000 0.764 240 L CB -0.243 41.827 42.059 0.019 0.000 0.887 240 L HN 0.762 8.764 8.230 -0.027 0.212 0.432 241 E N -1.091 119.169 120.200 0.099 0.000 2.217 241 E HA -0.553 3.854 4.350 0.095 0.000 0.219 241 E C 2.092 178.739 176.600 0.078 0.000 1.070 241 E CA 3.161 59.611 56.400 0.082 0.000 0.889 241 E CB -0.485 29.238 29.700 0.038 0.000 0.768 241 E HN 0.154 8.551 8.360 0.061 0.000 0.465 242 A N -2.180 120.678 122.820 0.064 0.000 1.877 242 A HA -0.168 4.410 4.320 0.000 -0.258 0.216 242 A C 1.895 179.511 177.584 0.054 0.000 1.186 242 A CA 2.744 54.800 52.037 0.033 0.000 0.620 242 A CB -0.529 18.477 19.000 0.011 0.000 0.822 242 A HN -0.041 8.133 8.150 0.053 0.008 0.443 243 F N 0.151 120.071 119.950 -0.051 0.000 2.293 243 F HA -0.351 4.124 4.527 -0.088 0.000 0.300 243 F C 1.431 177.219 175.800 -0.019 0.000 1.086 243 F CA 1.942 59.907 58.000 -0.058 0.000 1.375 243 F CB -0.177 38.788 39.000 -0.058 0.000 1.045 243 F HN 0.063 8.439 8.300 0.268 0.085 0.516 244 R N 0.423 120.962 120.500 0.066 0.000 2.061 244 R HA -0.417 3.783 4.340 -0.233 0.000 0.230 244 R C 1.612 177.839 176.300 -0.122 0.000 1.140 244 R CA 3.961 60.028 56.100 -0.055 0.000 0.940 244 R CB -0.018 30.368 30.300 0.144 0.000 0.839 244 R HN 0.567 8.766 8.270 0.284 0.241 0.429 245 E N -1.390 118.791 120.200 -0.032 0.000 2.038 245 E HA -0.428 3.970 4.350 0.080 0.000 0.195 245 E C 2.329 178.923 176.600 -0.010 0.000 1.000 245 E CA 3.131 59.539 56.400 0.013 0.000 0.803 245 E CB -0.766 28.928 29.700 -0.011 0.000 0.750 245 E HN 0.005 8.366 8.360 0.002 0.000 0.448 246 E N 0.434 120.563 120.200 -0.118 0.000 2.049 246 E HA -0.310 3.969 4.350 -0.117 0.000 0.198 246 E C 2.312 178.862 176.600 -0.083 0.000 1.007 246 E CA 2.719 59.046 56.400 -0.122 0.000 0.809 246 E CB -0.387 29.218 29.700 -0.158 0.000 0.749 246 E HN -0.363 7.924 8.360 -0.122 0.000 0.450 247 L N -0.734 120.311 121.223 -0.296 0.000 1.970 247 L HA -0.396 3.843 4.340 -0.168 0.000 0.212 247 L C 2.098 178.974 176.870 0.010 0.000 1.071 247 L CA 2.990 57.679 54.840 -0.252 0.000 0.751 247 L CB -0.842 40.835 42.059 -0.636 0.000 0.889 247 L HN -0.159 7.668 8.230 -0.488 0.110 0.432 248 K N -0.917 119.477 120.400 -0.010 0.000 2.052 248 K HA -0.520 3.931 4.320 0.036 -0.110 0.215 248 K C 2.595 179.241 176.600 0.077 0.000 1.053 248 K CA 3.411 59.728 56.287 0.050 0.000 0.934 248 K CB -0.224 32.312 32.500 0.059 0.000 0.717 248 K HN 0.205 8.400 8.250 -0.092 0.000 0.450 249 H N -2.539 116.527 119.070 -0.006 0.000 2.352 249 H HA -0.258 4.282 4.556 -0.026 0.000 0.299 249 H C 2.229 177.545 175.328 -0.020 0.000 1.097 249 H CA 3.877 59.913 56.048 -0.020 0.000 1.311 249 H CB 0.288 30.026 29.762 -0.039 0.000 1.377 249 H HN -0.209 8.285 8.280 0.349 -0.005 0.504 250 F N 0.551 120.513 119.950 0.019 0.000 2.009 250 F HA -0.353 4.127 4.527 -0.078 0.000 0.293 250 F C 1.051 176.876 175.800 0.042 0.000 1.156 250 F CA 3.470 61.464 58.000 -0.010 0.000 1.168 250 F CB 0.021 39.029 39.000 0.012 0.000 0.981 250 F HN -0.595 7.773 8.300 0.291 0.106 0.475 251 E N -0.648 119.871 120.200 0.532 0.000 2.164 251 E HA -0.562 4.074 4.350 0.476 0.000 0.206 251 E C 2.369 179.064 176.600 0.159 0.000 1.032 251 E CA 3.082 59.691 56.400 0.350 0.000 0.832 251 E CB -1.459 28.369 29.700 0.213 0.000 0.742 251 E HN 0.240 8.904 8.360 0.508 0.000 0.460 252 A N -1.358 121.508 122.820 0.077 0.000 1.898 252 A HA -0.273 4.058 4.320 0.018 0.000 0.216 252 A C 2.191 179.768 177.584 -0.012 0.000 1.181 252 A CA 2.612 54.653 52.037 0.006 0.000 0.620 252 A CB -0.657 18.306 19.000 -0.063 0.000 0.819 252 A HN 0.083 8.273 8.150 0.088 0.013 0.442 253 K N -0.552 119.802 120.400 -0.076 0.000 1.985 253 K HA -0.257 4.019 4.320 -0.073 0.000 0.210 253 K C 2.004 178.562 176.600 -0.069 0.000 1.047 253 K CA 2.684 58.892 56.287 -0.132 0.000 0.932 253 K CB -0.339 31.965 32.500 -0.326 0.000 0.716 253 K HN -0.315 7.683 8.250 -0.082 0.202 0.439 254 I N 0.977 121.468 120.570 -0.131 0.000 2.118 254 I HA -0.530 3.673 4.170 0.054 0.000 0.241 254 I C 1.294 177.503 176.117 0.154 0.000 1.070 254 I CA 4.001 65.327 61.300 0.043 0.000 1.327 254 I CB 0.121 38.209 38.000 0.147 0.000 1.034 254 I HN 0.082 8.128 8.210 -0.274 0.000 0.405 255 E N -0.776 119.497 120.200 0.122 0.000 2.065 255 E HA -0.501 3.912 4.350 0.106 0.000 0.201 255 E C 2.343 179.011 176.600 0.113 0.000 1.016 255 E CA 3.704 60.167 56.400 0.105 0.000 0.818 255 E CB -0.454 29.291 29.700 0.076 0.000 0.749 255 E HN -0.254 8.174 8.360 0.114 0.000 0.453 256 K N -1.685 118.791 120.400 0.126 0.000 2.032 256 K HA -0.425 3.974 4.320 0.132 0.000 0.209 256 K C 2.072 178.878 176.600 0.344 0.000 1.048 256 K CA 3.558 59.972 56.287 0.211 0.000 0.927 256 K CB -0.279 32.363 32.500 0.236 0.000 0.712 256 K HN -0.166 8.141 8.250 0.094 0.000 0.441 257 H N -0.082 119.100 119.070 0.186 0.000 2.353 257 H HA -0.461 4.220 4.556 0.207 0.000 0.298 257 H C 1.789 177.214 175.328 0.161 0.000 1.103 257 H CA 3.865 60.012 56.048 0.166 0.000 1.293 257 H CB 0.206 30.010 29.762 0.070 0.000 1.372 257 H HN 0.105 8.482 8.280 0.281 0.071 0.501 258 N N -1.012 117.578 118.700 -0.183 0.000 2.084 258 N HA -0.360 4.092 4.740 -0.479 0.000 0.190 258 N C 2.122 177.550 175.510 -0.137 0.000 1.030 258 N CA 2.934 55.838 53.050 -0.243 0.000 0.849 258 N CB -0.407 38.048 38.487 -0.054 0.000 1.012 258 N HN -0.122 8.194 8.380 0.050 0.094 0.423 259 H N 1.888 120.884 119.070 -0.124 0.000 2.321 259 H HA -0.341 4.124 4.556 -0.152 0.000 0.300 259 H C 2.578 177.777 175.328 -0.214 0.000 1.087 259 H CA 4.770 60.708 56.048 -0.184 0.000 1.319 259 H CB 0.376 29.984 29.762 -0.257 0.000 1.379 259 H HN -0.197 8.078 8.280 0.107 0.069 0.501 260 Y N -1.862 118.479 120.300 0.069 0.000 2.352 260 Y HA -0.326 4.265 4.550 0.067 0.000 0.292 260 Y C 2.884 178.744 175.900 -0.066 0.000 1.136 260 Y CA 3.753 61.871 58.100 0.029 0.000 1.227 260 Y CB -0.501 37.999 38.460 0.067 0.000 0.991 260 Y HN 0.635 8.930 8.280 0.204 0.107 0.545 261 Q N -0.735 119.044 119.800 -0.034 0.000 2.016 261 Q HA -0.412 3.908 4.340 -0.033 0.000 0.200 261 Q C 1.990 177.932 176.000 -0.096 0.000 0.978 261 Q CA 3.587 59.322 55.803 -0.114 0.000 0.833 261 Q CB -0.468 28.073 28.738 -0.329 0.000 0.895 261 Q HN 0.215 8.195 8.270 -0.095 0.232 0.427 262 K N 0.070 120.378 120.400 -0.153 0.000 2.026 262 K HA -0.402 3.853 4.320 -0.107 0.000 0.208 262 K C 2.217 178.737 176.600 -0.134 0.000 1.048 262 K CA 3.446 59.643 56.287 -0.149 0.000 0.929 262 K CB -0.109 32.272 32.500 -0.199 0.000 0.713 262 K HN -0.164 7.971 8.250 -0.192 0.000 0.439 263 Q N -1.196 118.486 119.800 -0.196 0.000 2.170 263 Q HA -0.266 3.996 4.340 -0.130 0.000 0.203 263 Q C 2.427 178.429 176.000 0.003 0.000 0.976 263 Q CA 2.845 58.570 55.803 -0.130 0.000 0.858 263 Q CB -0.409 28.220 28.738 -0.183 0.000 0.907 263 Q HN -0.244 7.850 8.270 -0.293 0.000 0.433 264 L N -0.107 121.140 121.223 0.040 0.000 2.027 264 L HA -0.280 4.147 4.340 0.145 0.000 0.206 264 L C 1.741 178.686 176.870 0.126 0.000 1.074 264 L CA 3.345 58.247 54.840 0.104 0.000 0.745 264 L CB -0.542 41.567 42.059 0.084 0.000 0.898 264 L HN -0.055 7.961 8.230 0.008 0.220 0.433 265 E N -0.489 119.744 120.200 0.055 0.000 2.031 265 E HA -0.377 4.013 4.350 0.067 0.000 0.193 265 E C 2.817 179.469 176.600 0.086 0.000 0.994 265 E CA 3.344 59.777 56.400 0.055 0.000 0.800 265 E CB -0.262 29.431 29.700 -0.011 0.000 0.752 265 E HN -0.297 8.070 8.360 0.011 0.000 0.447 266 I N -0.160 120.427 120.570 0.028 0.000 2.127 266 I HA -0.468 3.695 4.170 -0.012 0.000 0.241 266 I C 2.149 178.281 176.117 0.026 0.000 1.075 266 I CA 4.373 65.676 61.300 0.004 0.000 1.334 266 I CB -0.247 37.735 38.000 -0.030 0.000 1.040 266 I HN 0.079 8.288 8.210 -0.001 0.000 0.405 267 A N -1.113 121.745 122.820 0.063 0.000 1.933 267 A HA -0.413 3.924 4.320 0.028 0.000 0.218 267 A C 1.467 179.101 177.584 0.084 0.000 1.175 267 A CA 3.121 55.204 52.037 0.077 0.000 0.628 267 A CB -0.898 18.179 19.000 0.129 0.000 0.814 267 A HN 0.145 8.226 8.150 0.065 0.108 0.444 268 H N 1.148 120.269 119.070 0.085 0.000 2.319 268 H HA -0.347 4.169 4.556 -0.066 0.000 0.299 268 H C 2.015 177.322 175.328 -0.034 0.000 1.092 268 H CA 4.072 60.154 56.048 0.057 0.000 1.302 268 H CB 0.212 30.085 29.762 0.186 0.000 1.373 268 H HN 0.325 8.577 8.280 0.288 0.200 0.497 269 E N -0.857 119.398 120.200 0.091 0.000 2.031 269 E HA -0.414 3.954 4.350 0.030 0.000 0.193 269 E C 2.303 178.756 176.600 -0.245 0.000 0.994 269 E CA 3.100 59.454 56.400 -0.077 0.000 0.800 269 E CB -0.027 29.596 29.700 -0.129 0.000 0.752 269 E HN -0.141 8.328 8.360 0.181 0.000 0.447 270 K N -1.078 119.216 120.400 -0.177 0.000 2.103 270 K HA -0.266 3.948 4.320 -0.176 0.000 0.207 270 K C 2.622 179.171 176.600 -0.085 0.000 1.048 270 K CA 2.500 58.706 56.287 -0.135 0.000 0.930 270 K CB -0.301 32.153 32.500 -0.077 0.000 0.716 270 K HN -0.316 7.866 8.250 -0.114 0.000 0.444 271 L N 0.125 121.267 121.223 -0.134 0.000 1.993 271 L HA -0.225 4.046 4.340 -0.115 0.000 0.206 271 L C 1.217 177.990 176.870 -0.161 0.000 1.074 271 L CA 2.776 57.509 54.840 -0.178 0.000 0.746 271 L CB -0.493 41.362 42.059 -0.340 0.000 0.896 271 L HN 0.214 8.149 8.230 -0.150 0.205 0.435 272 R N -2.389 117.965 120.500 -0.243 0.000 2.140 272 R HA -0.507 3.710 4.340 -0.206 0.000 0.250 272 R C 2.745 179.054 176.300 0.016 0.000 1.150 272 R CA 3.466 59.481 56.100 -0.141 0.000 0.966 272 R CB -0.653 29.567 30.300 -0.134 0.000 0.869 272 R HN 0.283 8.307 8.270 -0.411 0.000 0.445 273 H N -2.564 116.432 119.070 -0.122 0.000 2.403 273 H HA -0.024 4.496 4.556 -0.061 0.000 0.298 273 H C 2.470 177.758 175.328 -0.066 0.000 1.059 273 H CA 2.201 58.205 56.048 -0.073 0.000 1.363 273 H CB -0.395 29.336 29.762 -0.051 0.000 1.410 273 H HN -0.043 8.438 8.280 0.351 0.010 0.528 274 A N -0.032 122.822 122.820 0.057 0.000 2.019 274 A HA -0.220 4.111 4.320 0.018 0.000 0.219 274 A C 2.424 179.997 177.584 -0.018 0.000 1.164 274 A CA 2.784 54.825 52.037 0.007 0.000 0.644 274 A CB -1.026 17.963 19.000 -0.017 0.000 0.805 274 A HN 0.075 8.049 8.150 0.049 0.206 0.449 275 E N -2.163 118.014 120.200 -0.039 0.000 2.274 275 E HA -0.193 4.132 4.350 -0.041 0.000 0.194 275 E C 1.915 178.489 176.600 -0.043 0.000 0.996 275 E CA 2.394 58.766 56.400 -0.048 0.000 0.840 275 E CB -0.225 29.434 29.700 -0.068 0.000 0.772 275 E HN 0.112 8.311 8.360 -0.044 0.134 0.491 276 S N -1.272 114.399 115.700 -0.049 0.000 2.603 276 S HA -0.100 4.338 4.470 -0.052 0.000 0.220 276 S C 0.868 175.448 174.600 -0.033 0.000 0.967 276 S CA 1.383 59.551 58.200 -0.053 0.000 0.920 276 S CB -0.206 62.941 63.200 -0.088 0.000 0.773 276 S HN -0.384 7.736 8.310 -0.047 0.162 0.529 277 V N 1.523 121.424 119.914 -0.021 0.000 2.278 277 V HA -0.305 3.810 4.120 -0.008 0.000 0.251 277 V C 0.338 176.423 176.094 -0.014 0.000 1.062 277 V CA 1.695 63.988 62.300 -0.012 0.000 1.038 277 V CB 0.112 31.930 31.823 -0.008 0.000 0.646 277 V HN -0.745 7.234 8.190 -0.020 0.198 0.447 278 G N -0.642 108.148 108.800 -0.016 0.000 2.520 278 G HA2 -0.364 3.586 3.960 -0.016 0.000 0.264 278 G HA3 -0.364 3.587 3.960 -0.014 0.000 0.264 278 G C -0.878 174.016 174.900 -0.011 0.000 1.140 278 G CA 0.045 45.137 45.100 -0.015 0.000 1.012 278 G HN 0.027 8.304 8.290 -0.019 0.001 0.511 279 D N -0.906 119.488 120.400 -0.010 0.000 1.671 279 D HA -0.036 4.600 4.640 -0.007 0.000 0.578 279 D C -0.591 175.705 176.300 -0.007 0.000 1.050 279 D CA 0.944 54.940 54.000 -0.007 0.000 1.185 279 D CB 0.640 41.436 40.800 -0.006 0.000 2.086 279 D HN -0.186 8.176 8.370 -0.012 0.000 0.429 280 G N 0.312 109.107 108.800 -0.008 0.000 3.405 280 G HA2 -0.340 3.614 3.960 -0.010 0.000 0.676 280 G HA3 -0.340 3.616 3.960 -0.007 0.000 0.676 280 G C -1.397 173.500 174.900 -0.005 0.000 1.039 280 G CA 0.267 45.363 45.100 -0.008 0.000 0.855 280 G HN 0.018 8.303 8.290 -0.010 0.000 0.443 281 E N 2.782 122.979 120.200 -0.005 0.000 3.777 281 E HA -0.084 4.265 4.350 -0.001 0.000 0.247 281 E C 0.467 177.066 176.600 -0.001 0.000 1.256 281 E CA 0.524 56.923 56.400 -0.002 0.000 1.786 281 E CB 1.831 31.530 29.700 -0.002 0.000 1.722 281 E HN 0.181 8.537 8.360 -0.007 0.000 0.810 282 R N -0.459 120.039 120.500 -0.003 0.000 2.393 282 R HA 0.130 4.472 4.340 0.003 0.000 0.244 282 R C 1.181 177.478 176.300 -0.005 0.000 0.920 282 R CA 0.396 56.495 56.100 -0.001 0.000 1.076 282 R CB -0.816 29.484 30.300 -0.001 0.000 1.119 282 R HN 0.272 8.539 8.270 -0.005 0.000 0.524 283 V N 0.880 120.789 119.914 -0.009 0.000 2.343 283 V HA -0.330 3.774 4.120 -0.028 0.000 0.247 283 V C 1.641 177.732 176.094 -0.006 0.000 1.051 283 V CA 3.595 65.886 62.300 -0.017 0.000 1.036 283 V CB -0.698 31.113 31.823 -0.019 0.000 0.654 283 V HN -0.333 7.780 8.190 -0.009 0.071 0.451 284 S N -0.654 115.047 115.700 0.002 0.000 2.404 284 S HA -0.421 4.055 4.470 0.010 0.000 0.216 284 S C 1.609 176.220 174.600 0.018 0.000 1.039 284 S CA 3.916 62.122 58.200 0.009 0.000 1.062 284 S CB -0.052 63.153 63.200 0.009 0.000 1.046 284 S HN 0.117 8.427 8.310 -0.000 0.000 0.415 285 R N -0.086 120.425 120.500 0.018 0.000 2.119 285 R HA -0.342 4.015 4.340 0.028 0.000 0.246 285 R C 2.232 178.555 176.300 0.037 0.000 1.146 285 R CA 2.896 59.011 56.100 0.026 0.000 0.962 285 R CB -1.036 29.277 30.300 0.023 0.000 0.863 285 R HN 0.344 8.622 8.270 0.014 0.000 0.442 286 S N 1.305 117.021 115.700 0.027 0.000 2.359 286 S HA -0.399 4.097 4.470 0.043 0.000 0.222 286 S C 2.141 176.779 174.600 0.064 0.000 1.038 286 S CA 3.637 61.855 58.200 0.030 0.000 1.051 286 S CB -0.357 62.837 63.200 -0.011 0.000 0.944 286 S HN 0.018 8.332 8.310 0.015 0.006 0.433 287 R N 0.952 121.477 120.500 0.042 0.000 2.127 287 R HA -0.318 4.086 4.340 0.107 0.000 0.238 287 R C 2.229 178.604 176.300 0.126 0.000 1.134 287 R CA 3.225 59.377 56.100 0.086 0.000 0.975 287 R CB -0.095 30.232 30.300 0.045 0.000 0.865 287 R HN 0.288 8.453 8.270 0.016 0.114 0.447 288 E N 0.174 120.422 120.200 0.080 0.000 1.998 288 E HA -0.297 4.085 4.350 0.054 0.000 0.196 288 E C 2.357 179.000 176.600 0.072 0.000 1.003 288 E CA 3.049 59.486 56.400 0.063 0.000 0.829 288 E CB -0.504 29.222 29.700 0.042 0.000 0.777 288 E HN -0.106 8.176 8.360 0.060 0.114 0.460 289 K N -1.334 119.114 120.400 0.079 0.000 2.211 289 K HA -0.317 4.037 4.320 0.056 0.000 0.204 289 K C 2.391 179.055 176.600 0.107 0.000 1.047 289 K CA 2.209 58.545 56.287 0.081 0.000 0.935 289 K CB -0.442 32.111 32.500 0.088 0.000 0.728 289 K HN -0.326 7.967 8.250 0.072 0.000 0.452 290 H N 0.251 119.345 119.070 0.040 0.000 2.253 290 H HA -0.320 4.276 4.556 0.067 0.000 0.299 290 H C 1.627 176.987 175.328 0.054 0.000 1.064 290 H CA 3.964 60.043 56.048 0.052 0.000 1.264 290 H CB 0.554 30.340 29.762 0.039 0.000 1.371 290 H HN -0.062 8.235 8.280 0.215 0.112 0.493 291 A N -1.381 121.395 122.820 -0.072 0.000 1.908 291 A HA -0.370 3.800 4.320 -0.249 0.000 0.218 291 A C 2.144 179.667 177.584 -0.102 0.000 1.181 291 A CA 3.028 54.991 52.037 -0.123 0.000 0.627 291 A CB -0.765 18.238 19.000 0.006 0.000 0.818 291 A HN -0.041 8.194 8.150 0.142 0.000 0.445 292 L N -0.829 120.366 121.223 -0.047 0.000 1.971 292 L HA -0.355 3.956 4.340 -0.048 0.000 0.215 292 L C 1.664 178.488 176.870 -0.078 0.000 1.072 292 L CA 3.241 58.053 54.840 -0.047 0.000 0.758 292 L CB -0.800 41.248 42.059 -0.019 0.000 0.889 292 L HN -0.156 8.065 8.230 -0.009 0.004 0.433 293 L N -1.286 119.900 121.223 -0.061 0.000 2.013 293 L HA -0.503 3.762 4.340 -0.126 0.000 0.212 293 L C 2.130 178.950 176.870 -0.084 0.000 1.073 293 L CA 3.864 58.667 54.840 -0.062 0.000 0.753 293 L CB -0.682 41.409 42.059 0.053 0.000 0.890 293 L HN 0.164 8.265 8.230 -0.027 0.113 0.432 294 E N -1.579 118.546 120.200 -0.126 0.000 2.085 294 E HA -0.333 3.975 4.350 -0.070 0.000 0.194 294 E C 2.559 179.114 176.600 -0.076 0.000 0.994 294 E CA 2.459 58.790 56.400 -0.116 0.000 0.801 294 E CB -0.640 28.937 29.700 -0.205 0.000 0.743 294 E HN -0.096 8.154 8.360 -0.183 0.000 0.453 295 G N -1.162 107.588 108.800 -0.084 0.000 2.480 295 G HA2 -0.392 3.534 3.960 -0.056 0.000 0.216 295 G HA3 -0.392 3.528 3.960 -0.067 0.000 0.216 295 G C 1.184 176.042 174.900 -0.069 0.000 1.200 295 G CA 2.164 47.224 45.100 -0.068 0.000 0.782 295 G HN 0.441 8.475 8.290 -0.098 0.197 0.554 296 R N 1.322 121.761 120.500 -0.101 0.000 2.159 296 R HA -0.142 4.308 4.340 -0.100 -0.170 0.237 296 R C 2.698 178.947 176.300 -0.085 0.000 1.131 296 R CA 2.227 58.251 56.100 -0.127 0.000 0.982 296 R CB -1.191 28.964 30.300 -0.240 0.000 0.868 296 R HN 0.012 8.214 8.270 -0.114 0.000 0.453 297 T N 3.128 117.656 114.554 -0.043 0.000 2.643 297 T HA -0.360 4.087 4.350 0.160 0.000 0.264 297 T C 1.535 176.259 174.700 0.038 0.000 1.045 297 T CA 4.855 67.000 62.100 0.076 0.000 1.155 297 T CB -0.765 68.166 68.868 0.105 0.000 0.863 297 T HN 0.062 8.140 8.240 -0.064 0.123 0.420 298 K N 2.147 122.552 120.400 0.007 0.000 2.032 298 K HA -0.473 3.849 4.320 0.003 0.000 0.209 298 K C 2.177 178.783 176.600 0.009 0.000 1.048 298 K CA 3.723 60.011 56.287 0.000 0.000 0.927 298 K CB -0.058 32.438 32.500 -0.007 0.000 0.712 298 K HN -0.086 8.162 8.250 -0.004 0.000 0.441 299 E N -0.424 119.774 120.200 -0.004 0.000 2.070 299 E HA -0.395 3.974 4.350 0.032 0.000 0.197 299 E C 2.585 179.223 176.600 0.064 0.000 1.004 299 E CA 2.973 59.387 56.400 0.024 0.000 0.805 299 E CB -0.196 29.494 29.700 -0.017 0.000 0.744 299 E HN -0.267 8.079 8.360 -0.024 0.000 0.451 300 L N -0.265 120.950 121.223 -0.015 0.000 1.989 300 L HA -0.279 4.026 4.340 -0.058 0.000 0.211 300 L C 2.061 178.847 176.870 -0.140 0.000 1.071 300 L CA 2.796 57.594 54.840 -0.069 0.000 0.749 300 L CB -0.970 41.060 42.059 -0.049 0.000 0.890 300 L HN 0.030 8.139 8.230 -0.025 0.106 0.431 301 G N -1.875 106.792 108.800 -0.223 0.000 2.476 301 G HA2 -0.461 3.275 3.960 -0.374 0.000 0.218 301 G HA3 -0.461 3.374 3.960 -0.209 0.000 0.218 301 G C 0.982 175.864 174.900 -0.030 0.000 1.164 301 G CA 2.353 47.315 45.100 -0.230 0.000 0.768 301 G HN 0.042 8.208 8.290 -0.207 0.000 0.560 302 Y N 2.247 122.514 120.300 -0.055 0.000 2.165 302 Y HA -0.418 4.146 4.550 0.024 0.000 0.286 302 Y C 1.623 177.541 175.900 0.030 0.000 1.155 302 Y CA 3.438 61.539 58.100 0.001 0.000 1.164 302 Y CB 0.112 38.571 38.460 -0.002 0.000 0.978 302 Y HN -0.032 8.347 8.280 0.163 0.000 0.513 303 T N 2.233 116.770 114.554 -0.030 0.000 2.674 303 T HA -0.470 3.815 4.350 -0.108 0.000 0.265 303 T C 2.064 176.717 174.700 -0.078 0.000 1.039 303 T CA 5.045 67.105 62.100 -0.068 0.000 1.150 303 T CB -0.528 68.326 68.868 -0.023 0.000 0.864 303 T HN -0.080 8.171 8.240 0.162 0.087 0.427 304 V N 1.418 121.232 119.914 -0.167 0.000 2.392 304 V HA -0.542 3.374 4.120 -0.339 0.000 0.249 304 V C 2.068 178.235 176.094 0.121 0.000 1.059 304 V CA 4.535 66.760 62.300 -0.125 0.000 1.051 304 V CB -0.573 31.173 31.823 -0.128 0.000 0.658 304 V HN 0.440 8.523 8.190 -0.177 0.000 0.455 305 K N -0.263 120.136 120.400 -0.001 0.000 1.985 305 K HA -0.413 3.942 4.320 0.057 0.000 0.210 305 K C 2.506 179.078 176.600 -0.046 0.000 1.047 305 K CA 3.930 60.212 56.287 -0.009 0.000 0.932 305 K CB -0.265 32.201 32.500 -0.057 0.000 0.716 305 K HN -0.029 8.081 8.250 -0.071 0.097 0.439 306 K N -1.139 119.128 120.400 -0.221 0.000 2.009 306 K HA -0.271 3.934 4.320 -0.192 0.000 0.210 306 K C 2.852 179.393 176.600 -0.098 0.000 1.049 306 K CA 3.032 59.183 56.287 -0.227 0.000 0.929 306 K CB -0.292 31.960 32.500 -0.413 0.000 0.714 306 K HN -0.160 7.841 8.250 -0.416 0.000 0.440 307 H N -0.752 118.301 119.070 -0.028 0.000 2.422 307 H HA -0.193 4.363 4.556 0.000 0.000 0.298 307 H C 2.831 178.237 175.328 0.130 0.000 1.098 307 H CA 3.908 60.009 56.048 0.088 0.000 1.315 307 H CB -0.318 29.600 29.762 0.260 0.000 1.382 307 H HN 0.080 8.510 8.280 0.251 0.000 0.523 308 L N -0.511 120.929 121.223 0.362 0.000 1.976 308 L HA -0.470 4.194 4.340 0.539 0.000 0.209 308 L C 1.715 178.684 176.870 0.166 0.000 1.071 308 L CA 3.495 58.548 54.840 0.356 0.000 0.746 308 L CB -0.242 41.997 42.059 0.301 0.000 0.890 308 L HN 0.230 8.439 8.230 0.341 0.226 0.432 309 Q N -1.117 118.723 119.800 0.068 0.000 2.135 309 Q HA -0.453 3.905 4.340 0.031 0.000 0.204 309 Q C 2.366 178.357 176.000 -0.016 0.000 0.981 309 Q CA 3.492 59.305 55.803 0.017 0.000 0.856 309 Q CB -0.195 28.534 28.738 -0.016 0.000 0.902 309 Q HN -0.058 8.245 8.270 0.055 0.000 0.425 310 D N 0.680 121.044 120.400 -0.059 0.000 2.083 310 D HA -0.247 4.340 4.640 -0.088 0.000 0.199 310 D C 2.430 178.648 176.300 -0.137 0.000 0.980 310 D CA 3.149 57.084 54.000 -0.107 0.000 0.851 310 D CB -0.386 40.311 40.800 -0.171 0.000 0.997 310 D HN -0.166 8.161 8.370 -0.057 0.009 0.449 311 L N -1.107 119.974 121.223 -0.238 0.000 2.103 311 L HA -0.487 3.609 4.340 -0.407 0.000 0.215 311 L C 2.260 178.958 176.870 -0.287 0.000 1.080 311 L CA 2.882 57.439 54.840 -0.470 0.000 0.764 311 L CB -0.267 41.112 42.059 -1.133 0.000 0.890 311 L HN 0.096 8.105 8.230 -0.210 0.095 0.435 312 S N -0.701 114.980 115.700 -0.032 0.000 2.336 312 S HA -0.309 4.342 4.470 0.301 0.000 0.214 312 S C 1.993 176.621 174.600 0.048 0.000 1.032 312 S CA 3.657 61.943 58.200 0.144 0.000 1.001 312 S CB -0.304 63.001 63.200 0.175 0.000 0.953 312 S HN 0.100 8.380 8.310 -0.017 0.020 0.430 313 G N -0.109 108.698 108.800 0.013 0.000 2.564 313 G HA2 -0.219 3.745 3.960 0.007 0.000 0.216 313 G HA3 -0.219 3.734 3.960 -0.012 0.000 0.216 313 G C 0.491 175.379 174.900 -0.020 0.000 1.124 313 G CA 1.518 46.616 45.100 -0.004 0.000 0.764 313 G HN -0.158 8.139 8.290 0.012 0.000 0.550 314 R N -1.177 119.297 120.500 -0.042 0.000 2.038 314 R HA -0.025 4.289 4.340 -0.043 0.000 0.214 314 R C 1.640 177.916 176.300 -0.039 0.000 1.249 314 R CA 1.641 57.708 56.100 -0.056 0.000 1.025 314 R CB 0.867 31.108 30.300 -0.097 0.000 0.911 314 R HN -0.586 7.523 8.270 -0.053 0.129 0.456 315 I N 0.069 120.607 120.570 -0.054 0.000 2.253 315 I HA -0.402 3.757 4.170 -0.020 0.000 0.234 315 I C 1.086 177.208 176.117 0.007 0.000 0.978 315 I CA 2.824 64.118 61.300 -0.011 0.000 1.271 315 I CB -0.674 37.361 38.000 0.058 0.000 0.978 315 I HN 0.136 8.169 8.210 -0.109 0.111 0.394 316 S N -1.803 113.913 115.700 0.026 0.000 2.605 316 S HA -0.270 4.211 4.470 0.019 0.000 0.309 316 S C -0.312 174.288 174.600 0.001 0.000 1.257 316 S CA 1.851 60.061 58.200 0.016 0.000 1.033 316 S CB 0.457 63.666 63.200 0.016 0.000 0.742 316 S HN -0.429 7.909 8.310 0.047 0.000 0.487 317 R N 3.711 124.210 120.500 -0.002 0.000 1.227 317 R HA -0.538 3.798 4.340 -0.005 0.000 0.022 317 R C -1.150 175.146 176.300 -0.008 0.000 0.961 317 R CA 1.656 57.753 56.100 -0.005 0.000 1.953 317 R CB -1.097 29.201 30.300 -0.003 0.000 0.169 317 R HN 0.512 8.781 8.270 -0.001 0.000 0.722 318 A N -0.163 122.651 122.820 -0.009 0.000 2.381 318 A HA -0.272 4.037 4.320 -0.018 0.000 0.283 318 A C -0.694 176.892 177.584 0.003 0.000 1.419 318 A CA 0.651 52.680 52.037 -0.014 0.000 0.727 318 A CB -1.178 17.804 19.000 -0.030 0.000 1.152 318 A HN 0.398 8.497 8.150 -0.009 0.046 0.366 319 R N 0.997 121.503 120.500 0.011 0.000 3.372 319 R HA -0.203 4.164 4.340 0.046 0.000 0.245 319 R C -0.350 175.996 176.300 0.077 0.000 1.061 319 R CA -0.139 55.986 56.100 0.042 0.000 1.113 319 R CB 0.490 30.811 30.300 0.034 0.000 0.921 319 R HN 0.035 8.306 8.270 0.002 0.000 0.485 320 H N -1.631 117.428 119.070 -0.017 0.000 2.520 320 H HA -0.006 4.599 4.556 -0.017 -0.058 0.279 320 H C 1.289 176.609 175.328 -0.013 0.000 0.990 320 H CA 2.044 58.083 56.048 -0.015 0.000 1.288 320 H CB 0.835 30.589 29.762 -0.013 0.000 1.446 320 H HN 0.209 8.590 8.280 0.169 0.000 0.538 321 N N 1.411 120.127 118.700 0.026 0.000 2.747 321 N HA -0.181 4.540 4.740 -0.031 0.000 0.252 321 N C -0.304 175.172 175.510 -0.057 0.000 1.352 321 N CA 0.725 53.762 53.050 -0.021 0.000 0.960 321 N CB -2.122 36.367 38.487 0.004 0.000 1.303 321 N HN 0.310 8.733 8.380 0.072 0.000 0.518 322 E N -1.038 119.099 120.200 -0.106 0.000 4.088 322 E HA -0.584 3.922 4.350 -0.104 -0.218 0.202 322 E C -0.878 175.692 176.600 -0.050 0.000 1.260 322 E CA 2.579 58.928 56.400 -0.084 0.000 2.208 322 E CB -0.464 29.195 29.700 -0.068 0.000 1.870 322 E HN 0.526 8.884 8.360 -0.176 -0.104 0.304 323 L N 0.000 121.197 121.223 -0.043 0.000 2.949 323 L HA 0.000 4.314 4.340 -0.043 0.000 0.249 323 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 323 L CB 0.000 42.040 42.059 -0.032 0.000 0.961 323 L HN 0.000 8.175 8.230 -0.044 0.029 0.502