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 2k4a_1_A DATA FIRST_RESID 1 DATA SEQUENCE EKLGKLQYSL DYDFQNNQLL VGIIQAAELP ALDMGGTSDP YVKVFLLPDK DATA SEQUENCE KKKFETKVHR KTLNPVFNEQ FTFKVPYSEL GGKTLVMAVY DFDRFSKHDI DATA SEQUENCE IGEFKVPMNT VDFGHVTEEW RDLQSAEK 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 E HA 0.000 4.356 4.350 0.010 0.000 0.291 1 E C 0.000 176.608 176.600 0.014 0.000 1.382 1 E CA 0.000 56.408 56.400 0.013 0.000 0.976 1 E CB 0.000 29.710 29.700 0.017 0.000 0.812 2 K N -1.733 118.675 120.400 0.012 0.000 2.589 2 K HA 0.317 4.645 4.320 0.014 0.000 0.253 2 K C -1.239 175.366 176.600 0.009 0.000 0.974 2 K CA -0.280 56.013 56.287 0.010 0.000 0.835 2 K CB 1.568 34.071 32.500 0.005 0.000 1.272 2 K HN 1.040 9.296 8.250 0.010 0.000 0.444 3 L N 3.221 124.452 121.223 0.013 0.000 2.966 3 L HA 0.428 4.773 4.340 0.007 0.000 0.262 3 L C -0.631 176.242 176.870 0.004 0.000 1.165 3 L CA -1.405 53.443 54.840 0.013 0.000 0.978 3 L CB 2.308 44.386 42.059 0.031 0.000 1.337 3 L HN 0.780 8.913 8.230 0.016 0.107 0.563 4 G N -1.311 107.486 108.800 -0.005 0.000 2.513 4 G HA2 -0.334 3.613 3.960 -0.021 0.000 0.227 4 G HA3 -0.334 3.924 3.960 -0.022 -0.312 0.227 4 G C -2.185 172.695 174.900 -0.034 0.000 1.176 4 G CA -0.371 44.717 45.100 -0.020 0.000 0.967 4 G HN -0.834 7.455 8.290 -0.002 0.000 0.587 5 K N -0.240 120.127 120.400 -0.055 0.000 2.508 5 K HA 0.608 5.032 4.320 -0.099 -0.163 0.260 5 K C -2.627 173.904 176.600 -0.116 0.000 0.949 5 K CA -0.645 55.589 56.287 -0.089 0.000 0.834 5 K CB 5.308 37.758 32.500 -0.083 0.000 1.365 5 K HN 0.386 8.499 8.250 -0.052 0.106 0.437 6 L N 2.682 123.789 121.223 -0.193 0.000 2.439 6 L HA 0.749 5.203 4.340 -0.119 -0.185 0.270 6 L C -2.880 173.838 176.870 -0.253 0.000 0.972 6 L CA -1.474 53.242 54.840 -0.207 0.000 0.836 6 L CB 4.142 46.074 42.059 -0.213 0.000 1.255 6 L HN 1.143 9.103 8.230 -0.247 0.122 0.404 7 Q N 4.630 124.384 119.800 -0.076 0.000 2.243 7 Q HA 0.488 5.187 4.340 0.382 -0.130 0.252 7 Q C -0.444 175.740 176.000 0.307 0.000 0.909 7 Q CA -2.407 53.504 55.803 0.180 0.000 0.922 7 Q CB 0.854 29.587 28.738 -0.009 0.000 1.215 7 Q HN 0.390 8.615 8.270 -0.074 0.000 0.427 8 Y N -0.712 119.760 120.300 0.287 0.000 2.609 8 Y HA 0.503 5.333 4.550 0.208 -0.156 0.336 8 Y C -2.715 173.283 175.900 0.164 0.000 1.129 8 Y CA -3.818 54.404 58.100 0.204 0.000 1.040 8 Y CB 3.201 41.768 38.460 0.178 0.000 1.310 8 Y HN 0.567 9.360 8.280 0.855 0.000 0.460 9 S N -0.307 115.520 115.700 0.212 0.000 2.745 9 S HA 0.374 4.978 4.470 -0.026 -0.150 0.283 9 S C -0.930 173.667 174.600 -0.005 0.000 1.170 9 S CA -0.846 57.385 58.200 0.052 0.000 1.119 9 S CB 0.399 63.658 63.200 0.098 0.000 1.035 9 S HN 1.035 9.370 8.310 0.261 0.131 0.483 10 L N 6.058 127.214 121.223 -0.111 0.000 2.282 10 L HA 0.895 5.463 4.340 -0.023 -0.241 0.288 10 L C -0.640 176.230 176.870 0.000 0.000 1.033 10 L CA -1.104 53.693 54.840 -0.071 0.000 0.807 10 L CB 0.985 42.950 42.059 -0.155 0.000 1.209 10 L HN 1.001 8.985 8.230 -0.204 0.124 0.423 11 D N 0.959 121.378 120.400 0.032 0.000 2.450 11 D HA 0.568 5.314 4.640 0.176 0.000 0.238 11 D C -1.361 175.013 176.300 0.124 0.000 1.020 11 D CA -1.920 52.134 54.000 0.091 0.000 1.010 11 D CB 3.848 44.658 40.800 0.017 0.000 1.342 11 D HN 0.550 8.925 8.370 0.009 0.000 0.530 12 Y N -4.400 115.928 120.300 0.046 0.000 2.468 12 Y HA 0.515 5.049 4.550 -0.027 0.000 0.342 12 Y C -2.017 173.903 175.900 0.034 0.000 1.021 12 Y CA -2.289 55.826 58.100 0.026 0.000 1.079 12 Y CB 2.533 41.021 38.460 0.046 0.000 1.226 12 Y HN -0.332 8.033 8.280 0.142 0.000 0.460 13 D N 2.767 123.166 120.400 -0.002 0.000 2.408 13 D HA 0.272 4.691 4.640 -0.369 0.000 0.243 13 D C -0.713 175.600 176.300 0.021 0.000 1.075 13 D CA -1.792 52.114 54.000 -0.156 0.000 0.832 13 D CB 2.721 43.429 40.800 -0.154 0.000 1.162 13 D HN 0.149 8.576 8.370 0.096 0.000 0.515 14 F N 2.485 122.456 119.950 0.036 0.000 2.641 14 F HA 0.386 5.046 4.527 0.223 0.000 0.302 14 F C -0.269 175.592 175.800 0.102 0.000 1.098 14 F CA -1.081 56.983 58.000 0.107 0.000 1.318 14 F CB -0.211 38.806 39.000 0.028 0.000 1.035 14 F HN 0.370 8.190 8.300 -0.800 0.000 0.551 15 Q N 2.585 122.268 119.800 -0.195 0.000 2.287 15 Q HA -0.052 4.307 4.340 0.030 0.000 0.201 15 Q C 1.120 177.110 176.000 -0.016 0.000 0.946 15 Q CA 1.314 57.055 55.803 -0.103 0.000 0.868 15 Q CB 0.802 29.393 28.738 -0.245 0.000 0.967 15 Q HN 0.404 8.832 8.270 -0.339 -0.361 0.516 16 N N -2.414 116.260 118.700 -0.042 0.000 2.322 16 N HA -0.032 4.702 4.740 -0.010 0.000 0.181 16 N C 0.121 175.637 175.510 0.010 0.000 1.088 16 N CA -0.329 52.709 53.050 -0.020 0.000 0.885 16 N CB 1.212 39.670 38.487 -0.048 0.000 1.013 16 N HN 0.186 8.964 8.380 -0.094 -0.454 0.472 17 N N -1.573 117.163 118.700 0.059 0.000 2.765 17 N HA -0.429 4.572 4.740 0.225 -0.126 0.254 17 N C -2.360 173.173 175.510 0.039 0.000 1.094 17 N CA 1.147 54.259 53.050 0.103 0.000 0.680 17 N CB -1.575 36.944 38.487 0.054 0.000 0.902 17 N HN -0.337 8.229 8.380 0.054 -0.153 0.557 18 Q N -7.033 112.795 119.800 0.047 0.000 2.353 18 Q HA 0.616 5.156 4.340 0.037 -0.177 0.275 18 Q C -1.736 174.301 176.000 0.061 0.000 1.029 18 Q CA -1.516 54.302 55.803 0.024 0.000 0.848 18 Q CB 3.821 32.526 28.738 -0.055 0.000 1.390 18 Q HN -0.574 7.772 8.270 0.060 -0.040 0.401 19 L N 1.700 123.002 121.223 0.131 0.000 2.292 19 L HA 0.329 4.789 4.340 0.054 -0.087 0.284 19 L C -1.295 175.535 176.870 -0.066 0.000 1.065 19 L CA -0.649 54.216 54.840 0.042 0.000 0.806 19 L CB 1.613 43.631 42.059 -0.068 0.000 1.175 19 L HN 0.294 8.595 8.230 0.279 0.096 0.431 20 L N 5.620 126.809 121.223 -0.056 0.000 2.282 20 L HA 0.414 4.812 4.340 -0.121 -0.130 0.287 20 L C -1.378 175.469 176.870 -0.038 0.000 1.075 20 L CA -1.853 52.943 54.840 -0.072 0.000 0.839 20 L CB -0.246 41.785 42.059 -0.047 0.000 1.219 20 L HN 1.245 9.345 8.230 -0.015 0.121 0.434 21 V N 8.402 128.293 119.914 -0.038 0.000 2.229 21 V HA 0.001 4.167 4.120 0.077 0.000 0.245 21 V C -1.139 175.070 176.094 0.191 0.000 1.243 21 V CA 0.060 62.433 62.300 0.122 0.000 1.176 21 V CB -1.214 30.824 31.823 0.359 0.000 1.323 21 V HN 0.917 9.014 8.190 -0.155 0.000 0.499 22 G N 8.217 117.102 108.800 0.141 0.000 2.663 22 G HA2 0.291 4.352 3.960 0.170 0.000 0.320 22 G HA3 0.291 4.355 3.960 0.121 -0.032 0.320 22 G C -1.466 173.579 174.900 0.242 0.000 0.937 22 G CA -1.250 43.949 45.100 0.165 0.000 1.332 22 G HN -0.190 8.128 8.290 0.088 0.024 0.461 23 I N 3.509 124.265 120.570 0.310 0.000 2.662 23 I HA 0.149 4.645 4.170 0.453 -0.054 0.291 23 I C -1.303 174.974 176.117 0.266 0.000 1.046 23 I CA -2.240 59.276 61.300 0.360 0.000 1.361 23 I CB 1.042 39.273 38.000 0.384 0.000 1.429 23 I HN -0.652 7.739 8.210 0.302 0.000 0.558 24 I N 2.119 122.831 120.570 0.237 0.000 2.364 24 I HA -0.008 4.427 4.170 0.159 -0.170 0.241 24 I C -0.245 175.940 176.117 0.114 0.000 1.082 24 I CA 2.252 63.649 61.300 0.161 0.000 1.401 24 I CB 1.046 39.126 38.000 0.135 0.000 1.126 24 I HN 1.057 9.287 8.210 0.270 0.142 0.429 25 Q N -6.219 113.626 119.800 0.074 0.000 2.943 25 Q HA 0.171 4.542 4.340 0.051 0.000 0.305 25 Q C -2.723 173.270 176.000 -0.011 0.000 0.873 25 Q CA -0.815 55.003 55.803 0.026 0.000 0.773 25 Q CB 1.539 30.269 28.738 -0.013 0.000 1.501 25 Q HN -0.644 7.671 8.270 0.076 0.000 0.442 26 A N -1.624 121.177 122.820 -0.032 0.000 2.350 26 A HA 0.898 5.345 4.320 -0.049 -0.157 0.324 26 A C -2.346 175.204 177.584 -0.056 0.000 1.118 26 A CA -2.025 49.989 52.037 -0.038 0.000 0.783 26 A CB 3.255 22.252 19.000 -0.005 0.000 1.236 26 A HN -0.168 7.953 8.150 -0.048 0.000 0.457 27 A N 0.972 123.753 122.820 -0.064 0.000 2.386 27 A HA 0.475 4.891 4.320 -0.057 -0.130 0.311 27 A C -1.461 176.095 177.584 -0.046 0.000 1.068 27 A CA -1.898 50.101 52.037 -0.064 0.000 0.743 27 A CB 3.344 22.290 19.000 -0.090 0.000 1.258 27 A HN 1.188 9.175 8.150 -0.068 0.122 0.429 28 E N -0.859 119.319 120.200 -0.037 0.000 2.287 28 E HA -0.446 3.890 4.350 -0.023 0.000 0.229 28 E C -1.271 175.319 176.600 -0.017 0.000 1.194 28 E CA 0.828 57.212 56.400 -0.026 0.000 0.704 28 E CB -2.567 27.116 29.700 -0.028 0.000 1.216 28 E HN 0.458 9.200 8.360 -0.038 -0.405 0.381 29 L N -0.789 120.426 121.223 -0.014 0.000 2.395 29 L HA 0.222 4.728 4.340 -0.004 -0.168 0.269 29 L C -1.616 175.251 176.870 -0.006 0.000 1.133 29 L CA -1.777 53.060 54.840 -0.006 0.000 0.812 29 L CB 0.071 42.130 42.059 0.000 0.000 1.125 29 L HN -0.329 7.788 8.230 -0.016 0.104 0.452 30 P HA -0.025 4.390 4.420 -0.009 0.000 0.270 30 P C -1.491 175.803 177.300 -0.010 0.000 1.223 30 P CA -0.389 62.706 63.100 -0.009 0.000 0.785 30 P CB 0.629 32.322 31.700 -0.011 0.000 0.923 31 A N -0.307 122.507 122.820 -0.011 0.000 2.286 31 A HA 0.637 5.022 4.320 -0.006 -0.070 0.286 31 A C -1.006 176.569 177.584 -0.016 0.000 1.097 31 A CA -0.347 51.684 52.037 -0.011 0.000 0.821 31 A CB 2.381 21.375 19.000 -0.011 0.000 1.076 31 A HN 0.061 8.204 8.150 -0.011 0.000 0.490 32 L N -1.720 119.494 121.223 -0.014 0.000 1.998 32 L HA 0.280 4.609 4.340 -0.019 0.000 0.194 32 L C -0.713 176.149 176.870 -0.014 0.000 1.198 32 L CA 0.890 55.720 54.840 -0.017 0.000 1.134 32 L CB 2.581 44.625 42.059 -0.025 0.000 2.366 32 L HN 0.757 8.851 8.230 -0.010 0.130 0.504 33 D N -0.593 119.802 120.400 -0.009 0.000 2.361 33 D HA -0.161 4.469 4.640 -0.017 0.000 0.239 33 D C -0.124 176.155 176.300 -0.034 0.000 1.200 33 D CA 0.622 54.612 54.000 -0.016 0.000 0.915 33 D CB 1.631 42.431 40.800 -0.001 0.000 1.170 33 D HN -0.234 8.045 8.370 -0.003 0.089 0.444 34 M N 3.205 122.769 119.600 -0.059 0.000 3.268 34 M HA -0.150 4.291 4.480 -0.065 0.000 0.249 34 M C -0.508 175.764 176.300 -0.046 0.000 1.527 34 M CA -0.342 54.917 55.300 -0.069 0.000 1.645 34 M CB -1.835 30.698 32.600 -0.112 0.000 1.193 34 M HN 0.342 8.590 8.290 -0.070 0.000 0.534 35 G N 3.240 112.021 108.800 -0.032 0.000 3.669 35 G HA2 -0.114 3.832 3.960 -0.024 0.000 0.230 35 G HA3 -0.114 3.835 3.960 -0.019 0.000 0.230 35 G C -0.489 174.403 174.900 -0.014 0.000 2.671 35 G CA 0.319 45.406 45.100 -0.022 0.000 0.975 35 G HN 0.295 8.535 8.290 -0.031 0.032 0.448 36 G N 0.118 108.908 108.800 -0.016 0.000 2.416 36 G HA2 -0.439 3.513 3.960 -0.013 0.000 0.301 36 G HA3 -0.439 3.514 3.960 -0.011 0.000 0.301 36 G C -0.932 173.964 174.900 -0.006 0.000 0.985 36 G CA 1.091 46.184 45.100 -0.011 0.000 0.934 36 G HN 0.405 8.683 8.290 -0.020 0.000 0.513 37 T N -6.774 107.778 114.554 -0.004 0.000 2.754 37 T HA 0.303 4.656 4.350 0.005 0.000 0.296 37 T C -1.776 172.929 174.700 0.008 0.000 1.205 37 T CA -2.376 59.727 62.100 0.005 0.000 1.009 37 T CB 2.641 71.516 68.868 0.011 0.000 1.368 37 T HN -0.871 7.345 8.240 -0.008 0.019 0.509 38 S N -1.180 114.534 115.700 0.022 0.000 2.661 38 S HA 0.191 4.734 4.470 0.021 -0.061 0.268 38 S C -2.415 172.222 174.600 0.062 0.000 1.162 38 S CA 0.008 58.225 58.200 0.027 0.000 0.817 38 S CB 3.697 66.902 63.200 0.009 0.000 1.141 38 S HN 0.063 8.390 8.310 0.029 0.000 0.477 39 D N 1.638 122.085 120.400 0.079 0.000 2.930 39 D HA 0.820 5.843 4.640 0.147 -0.295 0.304 39 D C -1.560 174.838 176.300 0.164 0.000 1.298 39 D CA -2.629 51.455 54.000 0.140 0.000 0.949 39 D CB 0.757 41.675 40.800 0.197 0.000 1.013 39 D HN 0.572 9.448 8.370 0.050 -0.476 0.510 40 P HA 0.158 4.811 4.420 0.050 -0.203 0.276 40 P C -1.717 175.772 177.300 0.315 0.000 1.243 40 P CA -0.504 62.680 63.100 0.141 0.000 0.768 40 P CB -0.027 31.726 31.700 0.088 0.000 0.856 41 Y N 3.129 123.513 120.300 0.140 0.000 2.406 41 Y HA 0.357 5.059 4.550 0.253 0.000 0.340 41 Y C -2.583 173.387 175.900 0.116 0.000 0.975 41 Y CA -2.581 55.580 58.100 0.101 0.000 1.056 41 Y CB 3.040 41.421 38.460 -0.131 0.000 1.210 41 Y HN 1.337 9.464 8.280 -0.035 0.131 0.448 42 V N 1.177 121.212 119.914 0.201 0.000 2.470 42 V HA 0.230 4.479 4.120 -0.042 -0.154 0.276 42 V C -0.365 175.818 176.094 0.149 0.000 1.040 42 V CA -1.140 61.215 62.300 0.091 0.000 1.008 42 V CB -0.479 31.440 31.823 0.161 0.000 0.990 42 V HN 0.275 8.670 8.190 0.341 0.000 0.477 43 K N 6.213 126.617 120.400 0.008 0.000 2.347 43 K HA 0.510 5.154 4.320 0.286 -0.152 0.262 43 K C -0.132 176.576 176.600 0.179 0.000 1.052 43 K CA -2.258 54.134 56.287 0.176 0.000 0.946 43 K CB 0.209 32.804 32.500 0.160 0.000 1.220 43 K HN 1.301 9.350 8.250 -0.130 0.123 0.450 44 V N 1.171 121.097 119.914 0.021 0.000 2.450 44 V HA 0.012 4.122 4.120 -0.192 -0.105 0.281 44 V C -1.568 174.496 176.094 -0.050 0.000 1.019 44 V CA 0.691 62.825 62.300 -0.276 0.000 1.062 44 V CB -0.700 30.345 31.823 -1.296 0.000 0.979 44 V HN -0.312 7.898 8.190 0.033 0.000 0.477 45 F N 7.167 127.006 119.950 -0.185 0.000 2.618 45 F HA 0.497 4.996 4.527 -0.047 0.000 0.332 45 F C -1.281 174.543 175.800 0.041 0.000 1.061 45 F CA -1.902 56.061 58.000 -0.062 0.000 0.974 45 F CB 4.807 43.768 39.000 -0.064 0.000 1.310 45 F HN 0.941 9.222 8.300 0.149 0.108 0.491 46 L N -1.796 119.552 121.223 0.208 0.000 2.376 46 L HA 0.498 4.984 4.340 0.243 0.000 0.258 46 L C -0.429 176.537 176.870 0.160 0.000 1.013 46 L CA -1.621 53.341 54.840 0.202 0.000 0.822 46 L CB 4.365 46.532 42.059 0.178 0.000 1.388 46 L HN 0.146 8.465 8.230 0.148 0.000 0.413 47 L N 0.082 121.394 121.223 0.147 0.000 2.367 47 L HA 0.333 4.737 4.340 0.106 0.000 0.215 47 L C -0.882 176.038 176.870 0.082 0.000 1.197 47 L CA -0.222 54.684 54.840 0.109 0.000 0.836 47 L CB -1.694 40.426 42.059 0.102 0.000 1.242 47 L HN 0.046 8.380 8.230 0.173 0.000 0.553 48 P HA -0.379 4.065 4.420 0.040 0.000 0.229 48 P C 0.775 178.092 177.300 0.028 0.000 1.152 48 P CA 2.755 65.880 63.100 0.042 0.000 0.915 48 P CB -0.366 31.356 31.700 0.037 0.000 0.784 49 D N -3.031 117.388 120.400 0.030 0.000 2.192 49 D HA -0.272 4.364 4.640 -0.007 0.000 0.189 49 D C 1.202 177.491 176.300 -0.019 0.000 1.007 49 D CA 2.319 56.320 54.000 0.003 0.000 0.859 49 D CB 0.262 41.066 40.800 0.008 0.000 0.936 49 D HN 0.157 8.541 8.370 0.047 0.015 0.447 50 K N -6.776 113.621 120.400 -0.006 0.000 2.914 50 K HA -0.417 3.882 4.320 -0.036 0.000 0.253 50 K C -0.500 176.055 176.600 -0.074 0.000 0.986 50 K CA 1.294 57.559 56.287 -0.036 0.000 0.730 50 K CB -3.008 29.477 32.500 -0.025 0.000 1.228 50 K HN 0.450 8.621 8.250 0.027 0.095 0.483 51 K N -0.107 120.238 120.400 -0.091 0.000 2.997 51 K HA -0.084 4.181 4.320 -0.093 0.000 0.249 51 K C -1.722 174.805 176.600 -0.122 0.000 1.284 51 K CA -0.095 56.123 56.287 -0.115 0.000 1.245 51 K CB -1.207 31.207 32.500 -0.143 0.000 1.670 51 K HN -0.128 8.373 8.250 -0.091 -0.306 0.385 52 K N -3.945 116.409 120.400 -0.078 0.000 2.806 52 K HA 0.041 4.374 4.320 0.022 0.000 0.293 52 K C -2.699 173.862 176.600 -0.066 0.000 1.135 52 K CA 0.054 56.349 56.287 0.013 0.000 0.960 52 K CB 1.334 33.927 32.500 0.154 0.000 1.374 52 K HN -0.602 7.511 8.250 -0.102 0.075 0.400 53 K N 4.084 124.460 120.400 -0.041 0.000 2.690 53 K HA 0.466 4.724 4.320 -0.390 -0.172 0.264 53 K C -2.155 174.440 176.600 -0.009 0.000 1.040 53 K CA 0.142 56.301 56.287 -0.213 0.000 0.946 53 K CB 1.943 34.241 32.500 -0.336 0.000 1.268 53 K HN 0.080 8.372 8.250 0.070 0.000 0.473 54 F N 6.129 125.978 119.950 -0.167 0.000 2.540 54 F HA 0.264 4.768 4.527 -0.038 0.000 0.317 54 F C -2.371 173.406 175.800 -0.038 0.000 1.104 54 F CA -0.779 57.181 58.000 -0.068 0.000 0.913 54 F CB 4.140 43.149 39.000 0.015 0.000 1.170 54 F HN -0.135 8.124 8.300 -0.068 0.000 0.450 55 E N 7.341 127.042 120.200 -0.832 0.000 2.145 55 E HA 0.249 4.538 4.350 -0.102 0.000 0.270 55 E C -0.616 175.467 176.600 -0.862 0.000 0.906 55 E CA -1.763 54.293 56.400 -0.574 0.000 0.761 55 E CB 2.210 31.598 29.700 -0.520 0.000 1.116 55 E HN 0.212 7.853 8.360 -1.199 0.000 0.408 56 T N 2.393 116.787 114.554 -0.267 0.000 2.726 56 T HA 0.019 4.343 4.350 -0.042 0.000 0.294 56 T C -0.086 174.323 174.700 -0.486 0.000 1.013 56 T CA -0.701 61.304 62.100 -0.159 0.000 0.996 56 T CB 1.167 70.126 68.868 0.152 0.000 1.016 56 T HN -0.195 8.114 8.240 0.116 0.000 0.529 57 K N 1.866 121.896 120.400 -0.617 0.000 2.349 57 K HA -0.102 3.861 4.320 -0.595 0.000 0.288 57 K C -0.235 175.802 176.600 -0.939 0.000 1.058 57 K CA -0.601 55.254 56.287 -0.719 0.000 0.953 57 K CB 0.619 32.688 32.500 -0.718 0.000 0.997 57 K HN 0.461 8.843 8.250 -0.654 -0.524 0.477 58 V N 4.819 124.287 119.914 -0.743 0.000 2.644 58 V HA -0.228 3.587 4.120 -0.508 0.000 0.305 58 V C -1.377 174.402 176.094 -0.524 0.000 1.053 58 V CA 0.705 62.635 62.300 -0.617 0.000 1.186 58 V CB 0.666 32.113 31.823 -0.627 0.000 0.895 58 V HN 0.251 8.021 8.190 -0.701 0.000 0.490 59 H N 7.897 126.961 119.070 -0.009 0.000 2.643 59 H HA 0.266 4.841 4.556 0.031 0.000 0.259 59 H C -1.249 174.112 175.328 0.056 0.000 1.298 59 H CA -2.220 53.848 56.048 0.033 0.000 1.301 59 H CB -0.400 29.393 29.762 0.051 0.000 1.422 59 H HN 0.270 8.460 8.280 -0.149 0.000 0.521 60 R N 3.517 124.091 120.500 0.123 0.000 2.504 60 R HA -0.302 4.513 4.340 0.123 -0.401 0.291 60 R C -0.331 176.030 176.300 0.102 0.000 0.974 60 R CA 0.083 56.250 56.100 0.111 0.000 1.077 60 R CB -0.694 29.661 30.300 0.090 0.000 0.926 60 R HN 0.376 8.699 8.270 0.088 0.000 0.407 61 K N 2.440 122.892 120.400 0.087 0.000 4.814 61 K HA -0.543 3.917 4.320 0.053 -0.108 0.295 61 K C -0.803 175.833 176.600 0.061 0.000 0.828 61 K CA 0.768 57.091 56.287 0.061 0.000 0.895 61 K CB -2.814 29.713 32.500 0.044 0.000 1.810 61 K HN 0.908 9.702 8.250 0.092 -0.489 0.418 62 T N -0.728 113.866 114.554 0.066 0.000 3.295 62 T HA 0.076 4.447 4.350 0.036 0.000 0.331 62 T C -1.709 173.012 174.700 0.034 0.000 1.142 62 T CA -0.903 61.228 62.100 0.051 0.000 1.078 62 T CB 1.180 70.089 68.868 0.069 0.000 1.150 62 T HN 0.258 8.543 8.240 0.074 0.000 0.465 63 L N 3.823 125.054 121.223 0.013 0.000 2.640 63 L HA 0.179 4.523 4.340 0.007 0.000 0.230 63 L C -1.010 175.851 176.870 -0.015 0.000 1.123 63 L CA -0.462 54.379 54.840 0.001 0.000 0.900 63 L CB 0.040 42.098 42.059 -0.002 0.000 1.146 63 L HN 0.152 8.389 8.230 0.011 0.000 0.484 64 N N -2.287 116.401 118.700 -0.020 0.000 2.639 64 N HA 0.484 5.407 4.740 -0.045 -0.210 0.265 64 N C -2.746 172.738 175.510 -0.043 0.000 1.689 64 N CA -1.303 51.725 53.050 -0.037 0.000 0.813 64 N CB 2.361 40.828 38.487 -0.034 0.000 1.353 64 N HN -0.798 7.514 8.380 -0.010 0.062 0.510 65 P HA 0.221 4.620 4.420 -0.035 0.000 0.284 65 P C -1.575 175.663 177.300 -0.104 0.000 1.258 65 P CA -0.706 62.335 63.100 -0.097 0.000 0.824 65 P CB 1.363 32.936 31.700 -0.212 0.000 1.038 66 V N -5.557 114.342 119.914 -0.025 0.000 2.715 66 V HA 0.272 4.403 4.120 0.018 0.000 0.310 66 V C -1.415 174.775 176.094 0.161 0.000 1.054 66 V CA -1.880 60.439 62.300 0.032 0.000 0.928 66 V CB 2.637 34.469 31.823 0.015 0.000 1.007 66 V HN -0.371 7.824 8.190 0.009 0.000 0.437 67 F N 5.645 125.606 119.950 0.017 0.000 1.982 67 F HA 0.038 4.617 4.527 0.085 0.000 0.353 67 F C -1.060 174.802 175.800 0.103 0.000 0.954 67 F CA 0.644 58.698 58.000 0.089 0.000 1.114 67 F CB 2.113 41.226 39.000 0.188 0.000 1.407 67 F HN -0.199 8.216 8.300 0.192 0.000 0.526 68 N N 0.630 119.566 118.700 0.394 0.000 2.643 68 N HA -0.343 4.846 4.740 0.271 -0.286 0.267 68 N C -2.022 173.720 175.510 0.387 0.000 1.158 68 N CA 0.298 53.524 53.050 0.293 0.000 0.684 68 N CB -0.533 38.047 38.487 0.154 0.000 0.879 68 N HN -0.075 8.536 8.380 0.385 0.000 0.553 69 E N -0.791 119.681 120.200 0.453 0.000 2.373 69 E HA -0.108 4.540 4.350 0.497 0.000 0.263 69 E C -0.877 175.839 176.600 0.193 0.000 1.073 69 E CA -0.116 56.519 56.400 0.392 0.000 0.894 69 E CB 1.123 31.051 29.700 0.380 0.000 1.008 69 E HN -0.140 8.473 8.360 0.422 0.000 0.420 70 Q N 3.133 122.967 119.800 0.056 0.000 2.398 70 Q HA 0.057 4.426 4.340 0.048 0.000 0.251 70 Q C -1.337 174.542 176.000 -0.202 0.000 0.999 70 Q CA -0.650 55.136 55.803 -0.029 0.000 0.874 70 Q CB 0.280 29.005 28.738 -0.021 0.000 1.215 70 Q HN 0.240 8.552 8.270 0.071 0.000 0.470 71 F N 9.406 129.217 119.950 -0.231 0.000 2.405 71 F HA 0.289 4.478 4.527 -0.563 0.000 0.355 71 F C -2.107 173.640 175.800 -0.088 0.000 1.121 71 F CA -2.430 55.417 58.000 -0.255 0.000 1.112 71 F CB 1.498 40.466 39.000 -0.053 0.000 1.126 71 F HN 0.032 8.416 8.300 0.140 0.000 0.481 72 T N 11.697 126.053 114.554 -0.330 0.000 2.747 72 T HA 0.103 4.434 4.350 -0.339 -0.184 0.301 72 T C -1.066 173.252 174.700 -0.637 0.000 0.952 72 T CA 0.378 62.245 62.100 -0.388 0.000 0.983 72 T CB -0.234 68.541 68.868 -0.155 0.000 0.930 72 T HN 0.590 8.812 8.240 -0.030 0.000 0.494 73 F N 9.539 128.974 119.950 -0.860 0.000 2.662 73 F HA -0.114 3.957 4.527 -0.760 0.000 0.343 73 F C -1.090 174.551 175.800 -0.265 0.000 1.302 73 F CA -1.180 56.439 58.000 -0.636 0.000 1.142 73 F CB 0.123 38.849 39.000 -0.456 0.000 1.524 73 F HN 1.128 9.051 8.300 -0.450 0.107 0.668 74 K N 8.437 128.576 120.400 -0.434 0.000 2.163 74 K HA -0.099 4.084 4.320 -0.229 0.000 0.267 74 K C -1.216 175.089 176.600 -0.492 0.000 1.098 74 K CA 0.147 56.233 56.287 -0.335 0.000 1.062 74 K CB -1.919 30.462 32.500 -0.198 0.000 1.033 74 K HN 0.208 8.228 8.250 -0.338 0.027 0.396 75 V N 3.165 122.834 119.914 -0.409 0.000 2.915 75 V HA 0.161 4.131 4.120 -0.251 0.000 0.273 75 V C -3.035 172.990 176.094 -0.114 0.000 1.538 75 V CA -2.440 59.660 62.300 -0.333 0.000 0.946 75 V CB 4.625 36.100 31.823 -0.580 0.000 1.183 75 V HN -0.226 7.809 8.190 -0.258 0.000 0.446 76 P HA 0.044 4.642 4.420 -0.099 -0.237 0.265 76 P C 0.831 178.021 177.300 -0.184 0.000 1.193 76 P CA -0.201 62.801 63.100 -0.163 0.000 0.765 76 P CB 0.051 31.603 31.700 -0.246 0.000 0.823 77 Y N 4.067 124.312 120.300 -0.091 0.000 2.139 77 Y HA -0.487 3.823 4.550 -0.400 0.000 0.282 77 Y C 1.035 176.851 175.900 -0.140 0.000 1.179 77 Y CA 3.172 61.079 58.100 -0.323 0.000 1.161 77 Y CB -1.396 36.704 38.460 -0.600 0.000 0.970 77 Y HN 0.374 8.970 8.280 0.026 -0.301 0.511 78 S N -1.158 114.186 115.700 -0.593 0.000 2.442 78 S HA -0.353 4.143 4.470 0.043 0.000 0.236 78 S C 1.321 175.864 174.600 -0.096 0.000 1.007 78 S CA 2.070 60.124 58.200 -0.244 0.000 0.965 78 S CB -0.513 62.444 63.200 -0.405 0.000 0.773 78 S HN 0.084 7.505 8.310 -1.464 0.010 0.504 79 E N 0.584 120.716 120.200 -0.113 0.000 2.276 79 E HA -0.011 4.324 4.350 -0.024 0.000 0.193 79 E C 1.937 178.569 176.600 0.053 0.000 0.983 79 E CA 0.846 57.227 56.400 -0.032 0.000 0.861 79 E CB 0.645 30.310 29.700 -0.059 0.000 0.817 79 E HN -0.258 7.798 8.360 -0.190 0.189 0.485 80 L N -0.044 121.237 121.223 0.097 0.000 2.103 80 L HA -0.400 4.158 4.340 0.363 0.000 0.215 80 L C 1.765 178.709 176.870 0.124 0.000 1.080 80 L CA 3.410 58.360 54.840 0.184 0.000 0.764 80 L CB -0.507 41.597 42.059 0.075 0.000 0.890 80 L HN 0.164 8.319 8.230 0.042 0.100 0.435 81 G N -1.744 107.117 108.800 0.101 0.000 2.507 81 G HA2 -0.422 3.680 3.960 0.093 0.000 0.221 81 G HA3 -0.422 3.610 3.960 0.085 -0.020 0.221 81 G C 0.615 175.561 174.900 0.078 0.000 1.119 81 G CA 1.735 46.889 45.100 0.090 0.000 0.751 81 G HN -0.066 8.258 8.290 0.097 0.025 0.574 82 G N -2.056 106.791 108.800 0.079 0.000 3.707 82 G HA2 0.112 4.111 3.960 0.065 0.000 0.286 82 G HA3 0.112 4.106 3.960 0.056 0.000 0.286 82 G C -1.395 173.563 174.900 0.096 0.000 1.112 82 G CA -0.442 44.701 45.100 0.072 0.000 0.861 82 G HN -0.168 8.037 8.290 0.079 0.132 0.534 83 K N 1.343 121.828 120.400 0.142 0.000 2.579 83 K HA 0.350 4.766 4.320 0.159 0.000 0.250 83 K C -1.673 175.048 176.600 0.202 0.000 0.952 83 K CA -1.390 55.021 56.287 0.207 0.000 0.857 83 K CB 2.484 35.197 32.500 0.354 0.000 1.123 83 K HN -0.205 7.962 8.250 0.137 0.164 0.433 84 T N 5.372 120.025 114.554 0.164 0.000 2.727 84 T HA 0.116 4.534 4.350 0.113 0.000 0.298 84 T C -0.311 174.497 174.700 0.181 0.000 0.942 84 T CA -0.040 62.143 62.100 0.139 0.000 0.997 84 T CB 0.102 69.034 68.868 0.108 0.000 0.917 84 T HN 0.281 8.609 8.240 0.147 0.000 0.487 85 L N 5.494 126.828 121.223 0.185 0.000 2.417 85 L HA 0.348 4.882 4.340 0.324 0.000 0.268 85 L C -1.912 175.042 176.870 0.139 0.000 1.158 85 L CA -0.175 54.810 54.840 0.241 0.000 0.819 85 L CB 0.630 42.841 42.059 0.253 0.000 1.112 85 L HN 0.045 8.346 8.230 0.117 0.000 0.458 86 V N -4.584 115.392 119.914 0.104 0.000 2.525 86 V HA 0.647 4.846 4.120 -0.086 -0.131 0.299 86 V C -2.159 173.840 176.094 -0.157 0.000 1.034 86 V CA -2.627 59.655 62.300 -0.031 0.000 0.863 86 V CB 2.588 34.426 31.823 0.024 0.000 0.999 86 V HN 0.994 9.181 8.190 0.174 0.107 0.423 87 M N 8.180 127.478 119.600 -0.502 0.000 2.047 87 M HA 0.421 4.721 4.480 -0.300 0.000 0.342 87 M C -2.569 173.490 176.300 -0.401 0.000 1.058 87 M CA -1.610 53.345 55.300 -0.576 0.000 0.991 87 M CB 2.167 34.063 32.600 -1.173 0.000 1.474 87 M HN 1.219 8.976 8.290 -0.700 0.113 0.419 88 A N 7.439 130.124 122.820 -0.224 0.000 2.304 88 A HA 0.571 4.912 4.320 -0.137 -0.103 0.323 88 A C -2.643 174.854 177.584 -0.144 0.000 1.195 88 A CA -2.157 49.774 52.037 -0.177 0.000 0.826 88 A CB 2.613 21.467 19.000 -0.244 0.000 1.184 88 A HN 0.573 8.615 8.150 -0.180 0.000 0.496 89 V N 5.188 125.051 119.914 -0.085 0.000 2.368 89 V HA 0.253 4.440 4.120 -0.137 -0.149 0.266 89 V C -2.205 173.815 176.094 -0.124 0.000 1.045 89 V CA -1.509 60.734 62.300 -0.094 0.000 0.899 89 V CB 1.035 32.852 31.823 -0.010 0.000 1.006 89 V HN 0.669 8.714 8.190 -0.051 0.114 0.470 90 Y N 10.127 130.105 120.300 -0.537 0.000 2.361 90 Y HA 0.302 4.688 4.550 -0.274 0.000 0.332 90 Y C -1.819 173.903 175.900 -0.297 0.000 1.101 90 Y CA -1.533 56.265 58.100 -0.503 0.000 1.137 90 Y CB 3.584 41.571 38.460 -0.789 0.000 1.207 90 Y HN 1.236 9.063 8.280 -0.579 0.106 0.463 91 D N 5.225 125.357 120.400 -0.447 0.000 2.348 91 D HA 0.047 4.714 4.640 -0.047 -0.055 0.249 91 D C -1.850 174.365 176.300 -0.142 0.000 1.110 91 D CA -0.907 52.972 54.000 -0.201 0.000 0.967 91 D CB 2.481 43.167 40.800 -0.191 0.000 1.139 91 D HN -0.220 7.672 8.370 -0.797 0.000 0.466 92 F N 2.945 122.742 119.950 -0.255 0.000 2.677 92 F HA 0.166 4.011 4.527 -1.136 0.000 0.388 92 F C -0.162 175.496 175.800 -0.235 0.000 1.400 92 F CA -1.573 56.152 58.000 -0.458 0.000 1.162 92 F CB 1.626 40.502 39.000 -0.207 0.000 1.135 92 F HN 0.070 8.332 8.300 0.067 0.079 0.516 93 D N 1.235 121.554 120.400 -0.135 0.000 2.191 93 D HA -0.352 4.295 4.640 0.012 0.000 0.195 93 D C 0.714 176.993 176.300 -0.034 0.000 1.003 93 D CA 3.286 57.279 54.000 -0.012 0.000 0.867 93 D CB 0.165 41.003 40.800 0.063 0.000 0.926 93 D HN 0.248 9.061 8.370 -0.103 -0.505 0.450 94 R N -6.626 113.810 120.500 -0.106 0.000 3.822 94 R HA -0.349 3.856 4.340 -0.225 0.000 0.366 94 R C -1.586 174.758 176.300 0.075 0.000 1.137 94 R CA 1.293 57.317 56.100 -0.126 0.000 0.933 94 R CB -2.022 28.178 30.300 -0.167 0.000 1.522 94 R HN 0.439 8.663 8.270 -0.050 0.016 0.519 95 F N -2.504 117.422 119.950 -0.039 0.000 2.083 95 F HA 0.179 4.670 4.527 -0.061 0.000 0.259 95 F C -0.672 175.078 175.800 -0.082 0.000 0.953 95 F CA -0.208 57.758 58.000 -0.056 0.000 1.156 95 F CB 1.822 40.799 39.000 -0.039 0.000 1.297 95 F HN -0.272 8.539 8.300 0.211 -0.384 0.733 96 S N 0.259 116.085 115.700 0.211 0.000 2.694 96 S HA 0.135 4.612 4.470 0.012 0.000 0.278 96 S C -1.228 173.305 174.600 -0.112 0.000 1.152 96 S CA -0.592 57.649 58.200 0.068 0.000 1.010 96 S CB 1.015 64.298 63.200 0.138 0.000 1.104 96 S HN 0.212 9.332 8.310 0.294 -0.634 0.547 97 K N 1.134 121.470 120.400 -0.106 0.000 2.294 97 K HA -0.081 4.070 4.320 -0.283 0.000 0.288 97 K C -0.874 175.659 176.600 -0.111 0.000 1.072 97 K CA -0.594 55.598 56.287 -0.158 0.000 0.960 97 K CB -1.537 30.919 32.500 -0.074 0.000 1.043 97 K HN 0.105 8.325 8.250 -0.050 0.000 0.455 98 H N 4.112 123.130 119.070 -0.087 0.000 3.214 98 H HA -0.196 4.197 4.556 -0.272 0.000 0.291 98 H C -0.592 174.475 175.328 -0.435 0.000 0.926 98 H CA 0.154 56.024 56.048 -0.296 0.000 1.409 98 H CB -0.202 29.363 29.762 -0.328 0.000 1.406 98 H HN 0.209 8.041 8.280 -0.747 0.000 0.561 99 D N 2.387 122.609 120.400 -0.297 0.000 2.268 99 D HA 0.281 4.872 4.640 -0.081 0.000 0.249 99 D C -0.952 175.169 176.300 -0.298 0.000 1.008 99 D CA -1.245 52.633 54.000 -0.203 0.000 0.939 99 D CB 2.635 43.381 40.800 -0.089 0.000 1.170 99 D HN 0.145 8.378 8.370 -0.228 0.000 0.468 100 I N 2.479 123.017 120.570 -0.054 0.000 2.256 100 I HA 0.109 4.401 4.170 0.015 -0.113 0.294 100 I C 0.617 176.716 176.117 -0.030 0.000 1.127 100 I CA -0.830 60.480 61.300 0.016 0.000 1.247 100 I CB -0.828 37.225 38.000 0.088 0.000 1.460 100 I HN 0.222 8.440 8.210 0.012 0.000 0.511 101 I N -0.851 119.683 120.570 -0.061 0.000 2.399 101 I HA -0.246 3.902 4.170 -0.035 0.000 0.254 101 I C 0.134 176.243 176.117 -0.013 0.000 1.146 101 I CA 0.993 62.271 61.300 -0.037 0.000 1.412 101 I CB -0.223 37.754 38.000 -0.038 0.000 1.076 101 I HN -0.326 7.822 8.210 -0.103 0.000 0.432 102 G N -3.088 105.708 108.800 -0.008 0.000 2.322 102 G HA2 0.186 4.270 3.960 0.010 0.000 0.295 102 G HA3 0.186 4.181 3.960 0.023 -0.021 0.295 102 G C -3.283 171.623 174.900 0.010 0.000 1.369 102 G CA 0.356 45.462 45.100 0.011 0.000 0.821 102 G HN -0.868 7.380 8.290 -0.017 0.032 0.536 103 E N -3.606 116.617 120.200 0.039 0.000 2.439 103 E HA 0.996 5.459 4.350 0.004 -0.110 0.279 103 E C -2.609 174.075 176.600 0.140 0.000 1.077 103 E CA -1.244 55.169 56.400 0.022 0.000 0.849 103 E CB 4.456 34.123 29.700 -0.056 0.000 1.408 103 E HN 1.050 9.336 8.360 0.057 0.108 0.457 104 F N -3.367 116.598 119.950 0.025 0.000 2.678 104 F HA 0.539 5.087 4.527 0.036 0.000 0.308 104 F C -3.136 172.712 175.800 0.080 0.000 1.118 104 F CA -0.874 57.151 58.000 0.042 0.000 0.959 104 F CB 3.596 42.610 39.000 0.023 0.000 1.305 104 F HN 0.999 9.034 8.300 -0.246 0.118 0.443 105 K N 1.393 121.999 120.400 0.343 0.000 2.579 105 K HA 0.523 5.021 4.320 0.167 -0.078 0.284 105 K C -2.839 173.937 176.600 0.293 0.000 0.990 105 K CA -1.435 54.990 56.287 0.230 0.000 0.880 105 K CB 3.264 35.827 32.500 0.104 0.000 1.488 105 K HN -0.070 8.424 8.250 0.407 0.000 0.425 106 V N -0.967 119.085 119.914 0.230 0.000 2.891 106 V HA 0.396 4.611 4.120 0.158 0.000 0.304 106 V C -2.652 173.510 176.094 0.113 0.000 1.171 106 V CA -3.774 58.633 62.300 0.178 0.000 0.943 106 V CB 3.336 35.284 31.823 0.209 0.000 1.037 106 V HN -0.087 8.222 8.190 0.198 0.000 0.427 107 P HA 0.162 4.625 4.420 0.071 0.000 0.263 107 P C -0.042 177.286 177.300 0.047 0.000 1.247 107 P CA -0.018 63.121 63.100 0.066 0.000 0.876 107 P CB -0.049 31.686 31.700 0.058 0.000 0.928 108 M N 4.814 124.432 119.600 0.029 0.000 2.143 108 M HA -0.457 4.003 4.480 -0.033 0.000 0.258 108 M C 2.344 178.665 176.300 0.035 0.000 1.071 108 M CA 2.790 58.084 55.300 -0.011 0.000 1.088 108 M CB -1.688 30.865 32.600 -0.079 0.000 1.360 108 M HN 0.101 8.415 8.290 0.040 0.000 0.404 109 N N -1.999 116.733 118.700 0.053 0.000 2.192 109 N HA -0.247 4.545 4.740 0.086 0.000 0.188 109 N C 1.044 176.582 175.510 0.047 0.000 1.013 109 N CA 2.542 55.630 53.050 0.063 0.000 0.863 109 N CB -0.346 38.174 38.487 0.055 0.000 0.990 109 N HN 0.287 8.688 8.380 0.054 0.012 0.430 110 T N -1.498 113.077 114.554 0.035 0.000 3.113 110 T HA -0.088 4.269 4.350 0.011 0.000 0.256 110 T C 0.125 174.831 174.700 0.011 0.000 1.131 110 T CA 1.579 63.691 62.100 0.020 0.000 1.074 110 T CB 0.456 69.338 68.868 0.022 0.000 0.944 110 T HN -0.254 7.883 8.240 0.039 0.127 0.516 111 V N 4.689 124.617 119.914 0.023 0.000 2.267 111 V HA -0.086 4.032 4.120 -0.003 0.000 0.254 111 V C -1.610 174.504 176.094 0.034 0.000 1.144 111 V CA -0.806 61.503 62.300 0.015 0.000 0.992 111 V CB -0.811 31.014 31.823 0.003 0.000 1.199 111 V HN 0.002 7.986 8.190 0.035 0.227 0.493 112 D N 6.382 126.759 120.400 -0.039 0.000 2.359 112 D HA -0.159 4.370 4.640 -0.184 0.000 0.273 112 D C 0.422 176.607 176.300 -0.191 0.000 1.362 112 D CA -0.230 53.677 54.000 -0.155 0.000 1.010 112 D CB -0.751 39.938 40.800 -0.187 0.000 1.090 112 D HN -0.231 8.112 8.370 -0.045 0.000 0.521 113 F N 1.466 121.274 119.950 -0.236 0.000 2.626 113 F HA 0.202 4.619 4.527 -0.185 0.000 0.368 113 F C -0.559 174.932 175.800 -0.516 0.000 1.227 113 F CA -2.005 55.782 58.000 -0.355 0.000 1.302 113 F CB -2.527 36.175 39.000 -0.496 0.000 1.733 113 F HN -0.327 7.965 8.300 -0.014 0.000 0.672 114 G N 0.615 109.201 108.800 -0.357 0.000 2.394 114 G HA2 -0.200 3.423 3.960 -0.562 0.000 0.215 114 G HA3 -0.200 3.535 3.960 -0.375 0.000 0.215 114 G C -0.417 174.335 174.900 -0.246 0.000 1.165 114 G CA 1.005 45.858 45.100 -0.412 0.000 0.784 114 G HN 0.452 8.544 8.290 -0.225 0.063 0.535 115 H N -3.604 115.598 119.070 0.220 0.000 3.541 115 H HA 0.076 4.921 4.556 0.481 0.000 0.121 115 H C -2.211 173.281 175.328 0.272 0.000 1.206 115 H CA 0.076 56.307 56.048 0.305 0.000 1.090 115 H CB 2.874 32.708 29.762 0.120 0.000 0.943 115 H HN -0.188 8.176 8.280 0.141 0.000 0.220 116 V N -4.674 115.409 119.914 0.282 0.000 2.733 116 V HA 0.668 5.022 4.120 0.174 -0.131 0.306 116 V C -1.221 174.908 176.094 0.059 0.000 1.084 116 V CA -1.210 61.179 62.300 0.147 0.000 0.905 116 V CB 2.997 34.868 31.823 0.081 0.000 1.010 116 V HN -0.397 7.957 8.190 0.273 0.000 0.424 117 T N 9.474 124.030 114.554 0.004 0.000 3.005 117 T HA 0.166 4.478 4.350 -0.064 0.000 0.323 117 T C -0.890 173.711 174.700 -0.164 0.000 1.131 117 T CA 0.428 62.477 62.100 -0.085 0.000 0.977 117 T CB -0.699 68.099 68.868 -0.118 0.000 1.055 117 T HN 1.280 9.410 8.240 0.020 0.122 0.562 118 E N 7.167 127.289 120.200 -0.129 0.000 2.166 118 E HA 0.738 5.239 4.350 -0.102 -0.212 0.275 118 E C -0.884 175.584 176.600 -0.220 0.000 0.941 118 E CA -0.965 55.353 56.400 -0.137 0.000 0.784 118 E CB 2.369 32.005 29.700 -0.105 0.000 1.115 118 E HN 0.047 8.345 8.360 -0.103 0.000 0.399 119 E N 1.489 121.609 120.200 -0.132 0.000 2.409 119 E HA 0.183 4.104 4.350 -0.714 0.000 0.280 119 E C -1.818 174.854 176.600 0.120 0.000 1.079 119 E CA -1.500 54.757 56.400 -0.238 0.000 0.840 119 E CB 2.305 31.997 29.700 -0.015 0.000 1.309 119 E HN 0.462 8.898 8.360 0.127 0.000 0.447 120 W N -0.683 120.655 121.300 0.065 0.000 2.085 120 W HA 0.155 4.770 4.660 -0.076 0.000 0.392 120 W C -0.326 176.094 176.519 -0.165 0.000 0.862 120 W CA -2.088 55.225 57.345 -0.053 0.000 1.542 120 W CB -0.090 29.348 29.460 -0.037 0.000 1.672 120 W HN 0.559 8.570 8.180 -0.282 0.000 0.309 121 R N 3.714 124.102 120.500 -0.185 0.000 2.570 121 R HA -0.175 4.017 4.340 -0.247 0.000 0.277 121 R C -1.420 174.680 176.300 -0.333 0.000 1.039 121 R CA -0.271 55.542 56.100 -0.478 0.000 1.065 121 R CB 1.004 30.458 30.300 -1.411 0.000 0.964 121 R HN -0.507 7.576 8.270 -0.311 0.000 0.428 122 D N 3.728 124.007 120.400 -0.202 0.000 2.256 122 D HA -0.011 4.575 4.640 -0.091 0.000 0.250 122 D C -1.472 174.768 176.300 -0.099 0.000 1.093 122 D CA -0.531 53.405 54.000 -0.107 0.000 0.882 122 D CB 0.659 41.439 40.800 -0.034 0.000 1.185 122 D HN 0.044 8.315 8.370 -0.164 0.000 0.437 123 L N 0.424 121.620 121.223 -0.045 0.000 2.309 123 L HA 0.213 4.606 4.340 0.088 0.000 0.282 123 L C -0.538 176.357 176.870 0.043 0.000 1.036 123 L CA -0.984 53.874 54.840 0.030 0.000 0.806 123 L CB 1.486 43.565 42.059 0.032 0.000 1.220 123 L HN 0.649 8.745 8.230 -0.046 0.105 0.429 124 Q N 1.388 121.232 119.800 0.072 0.000 2.375 124 Q HA 0.424 4.845 4.340 0.034 -0.060 0.271 124 Q C -1.340 174.686 176.000 0.043 0.000 1.074 124 Q CA -2.080 53.753 55.803 0.050 0.000 0.808 124 Q CB 3.285 32.056 28.738 0.055 0.000 1.327 124 Q HN 0.306 8.645 8.270 0.115 0.000 0.441 125 S N 4.040 119.756 115.700 0.025 0.000 3.072 125 S HA 0.099 4.701 4.470 0.015 -0.123 0.306 125 S C -0.542 174.066 174.600 0.013 0.000 1.207 125 S CA -0.325 57.884 58.200 0.015 0.000 1.008 125 S CB -0.910 62.294 63.200 0.007 0.000 1.390 125 S HN 0.500 8.882 8.310 0.022 -0.059 0.523 126 A N 5.453 128.280 122.820 0.013 0.000 2.410 126 A HA -0.017 4.311 4.320 0.012 0.000 0.292 126 A C -0.781 176.804 177.584 0.002 0.000 1.232 126 A CA -0.734 51.308 52.037 0.008 0.000 0.893 126 A CB 0.002 19.005 19.000 0.004 0.000 1.131 126 A HN -0.137 8.021 8.150 0.015 0.000 0.530 127 E N 4.327 124.529 120.200 0.004 0.000 2.491 127 E HA -0.278 4.073 4.350 0.002 0.000 0.250 127 E C -0.397 176.204 176.600 0.002 0.000 1.061 127 E CA 0.548 56.950 56.400 0.003 0.000 0.942 127 E CB 0.007 29.710 29.700 0.004 0.000 0.957 127 E HN 0.112 8.475 8.360 0.006 0.000 0.480 128 K N 0.000 120.402 120.400 0.004 0.000 2.780 128 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 128 K CA 0.000 56.289 56.287 0.004 0.000 0.838 128 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 128 K HN 0.000 8.254 8.250 0.006 0.000 0.543