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 1g9l_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPLGSAAAAT PAVRTVPQYK YAAGVRNPQQ HLNAQPQVTM QQPAVHVQGQ DATA SEQUENCE EPLTASMLAS APPQEQKQML GERLFPLIQA MHPTLAGKIT GMLLEIDNSE DATA SEQUENCE LLHMLESPES LRSKVDEAVA VLQAHQAKEA AQKAVNSATG VPTV 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.973 3.960 0.022 0.000 0.244 1 G C 0.000 174.909 174.900 0.016 0.000 0.946 1 G CA 0.000 45.112 45.100 0.020 0.000 0.502 2 P HA -0.017 4.410 4.420 0.011 0.000 0.211 2 P C -0.168 177.139 177.300 0.011 0.000 1.179 2 P CA 0.442 63.549 63.100 0.012 0.000 0.910 2 P CB 0.463 32.170 31.700 0.011 0.000 0.785 3 L N -2.982 118.249 121.223 0.013 0.000 2.642 3 L HA 0.242 4.588 4.340 0.010 0.000 0.229 3 L C 1.064 177.942 176.870 0.013 0.000 1.179 3 L CA -0.829 54.018 54.840 0.012 0.000 0.834 3 L CB 0.259 42.325 42.059 0.012 0.000 1.515 3 L HN -0.622 7.616 8.230 0.014 0.000 0.512 4 G N -0.926 107.881 108.800 0.012 0.000 4.198 4 G HA2 0.152 4.119 3.960 0.012 0.000 0.282 4 G HA3 0.152 4.118 3.960 0.010 0.000 0.282 4 G C -0.926 173.982 174.900 0.014 0.000 1.262 4 G CA 0.125 45.232 45.100 0.012 0.000 1.473 4 G HN 0.377 8.673 8.290 0.011 0.000 0.624 5 S N 1.413 117.124 115.700 0.018 0.000 2.541 5 S HA -0.017 4.464 4.470 0.019 0.000 0.219 5 S C 0.441 175.056 174.600 0.025 0.000 1.025 5 S CA 0.518 58.731 58.200 0.021 0.000 0.917 5 S CB 0.833 64.048 63.200 0.025 0.000 0.859 5 S HN 0.152 8.408 8.310 0.018 0.065 0.584 6 A N 1.595 124.433 122.820 0.030 0.000 2.452 6 A HA 0.260 4.599 4.320 0.033 0.000 0.285 6 A C -1.720 175.881 177.584 0.029 0.000 1.209 6 A CA -0.411 51.647 52.037 0.036 0.000 0.940 6 A CB 1.093 20.125 19.000 0.053 0.000 1.440 6 A HN -0.082 8.086 8.150 0.030 0.000 0.480 7 A N -1.798 121.041 122.820 0.031 0.000 2.604 7 A HA 0.216 4.550 4.320 0.023 0.000 0.285 7 A C -1.281 176.320 177.584 0.028 0.000 1.095 7 A CA 0.571 52.622 52.037 0.024 0.000 0.842 7 A CB 0.453 19.462 19.000 0.015 0.000 1.385 7 A HN 0.256 8.429 8.150 0.038 0.000 0.404 8 A N 2.725 125.563 122.820 0.030 0.000 2.150 8 A HA 0.028 4.366 4.320 0.030 0.000 0.191 8 A C -0.333 177.267 177.584 0.027 0.000 1.591 8 A CA 0.246 52.303 52.037 0.033 0.000 1.142 8 A CB 0.591 19.619 19.000 0.047 0.000 1.326 8 A HN 0.174 8.342 8.150 0.029 0.000 0.470 9 A N -0.428 122.406 122.820 0.024 0.000 2.237 9 A HA -0.167 4.164 4.320 0.018 0.000 0.281 9 A C -0.251 177.345 177.584 0.020 0.000 1.414 9 A CA 1.903 53.952 52.037 0.019 0.000 0.733 9 A CB -1.999 17.011 19.000 0.016 0.000 1.168 9 A HN 0.225 8.390 8.150 0.025 0.000 0.347 10 T N 1.738 116.305 114.554 0.022 0.000 3.143 10 T HA 0.149 4.510 4.350 0.019 0.000 0.312 10 T C -1.546 173.165 174.700 0.019 0.000 0.986 10 T CA -2.806 59.307 62.100 0.021 0.000 1.024 10 T CB 1.297 70.182 68.868 0.027 0.000 1.030 10 T HN -0.437 7.817 8.240 0.023 0.000 0.448 11 P HA 0.068 4.496 4.420 0.013 0.000 0.242 11 P C -0.666 176.641 177.300 0.013 0.000 1.197 11 P CA 0.224 63.331 63.100 0.013 0.000 0.765 11 P CB 0.373 32.079 31.700 0.010 0.000 0.936 12 A N 1.000 123.829 122.820 0.015 0.000 3.056 12 A HA 0.185 4.512 4.320 0.012 0.000 0.274 12 A C -0.014 177.580 177.584 0.017 0.000 1.661 12 A CA -0.576 51.470 52.037 0.014 0.000 1.363 12 A CB -1.095 17.914 19.000 0.015 0.000 1.139 12 A HN -0.547 7.529 8.150 0.017 0.084 0.598 13 V N -0.918 119.005 119.914 0.015 0.000 3.490 13 V HA -0.120 4.012 4.120 0.019 0.000 0.315 13 V C 0.411 176.512 176.094 0.012 0.000 1.284 13 V CA 1.100 63.409 62.300 0.015 0.000 1.233 13 V CB -1.124 30.707 31.823 0.014 0.000 1.101 13 V HN -0.410 7.747 8.190 0.013 0.041 0.425 14 R N 0.595 121.101 120.500 0.011 0.000 2.087 14 R HA -0.021 4.323 4.340 0.006 0.000 0.213 14 R C 0.286 176.590 176.300 0.007 0.000 1.137 14 R CA 1.221 57.325 56.100 0.007 0.000 1.022 14 R CB 0.422 30.725 30.300 0.006 0.000 0.920 14 R HN -0.028 8.133 8.270 0.012 0.116 0.451 15 T N -0.682 113.878 114.554 0.010 0.000 2.927 15 T HA 0.110 4.464 4.350 0.006 0.000 0.281 15 T C -0.480 174.231 174.700 0.018 0.000 0.998 15 T CA -1.371 60.736 62.100 0.011 0.000 1.019 15 T CB 1.550 70.424 68.868 0.011 0.000 1.061 15 T HN -0.564 7.683 8.240 0.012 0.000 0.518 16 V N -1.619 118.306 119.914 0.018 0.000 2.686 16 V HA 0.333 4.472 4.120 0.031 0.000 0.295 16 V C -1.112 175.022 176.094 0.066 0.000 1.057 16 V CA -3.636 58.681 62.300 0.030 0.000 1.012 16 V CB -0.836 30.988 31.823 0.002 0.000 1.006 16 V HN -0.041 8.156 8.190 0.012 0.000 0.477 17 P HA 0.010 4.495 4.420 0.107 0.000 0.266 17 P C -0.831 176.587 177.300 0.196 0.000 1.193 17 P CA 0.076 63.273 63.100 0.162 0.000 0.770 17 P CB 0.677 32.525 31.700 0.247 0.000 0.836 18 Q N 1.615 121.490 119.800 0.125 0.000 2.613 18 Q HA -0.112 4.289 4.340 0.101 0.000 0.228 18 Q C -0.494 175.597 176.000 0.151 0.000 1.318 18 Q CA 0.437 56.298 55.803 0.098 0.000 0.907 18 Q CB -1.480 27.256 28.738 -0.003 0.000 1.593 18 Q HN 0.348 8.669 8.270 0.085 0.000 0.559 19 Y N 2.015 122.345 120.300 0.050 0.000 2.571 19 Y HA -0.218 4.395 4.550 0.105 0.000 0.294 19 Y C 0.389 176.343 175.900 0.090 0.000 1.141 19 Y CA 1.718 59.865 58.100 0.077 0.000 1.308 19 Y CB 0.525 39.017 38.460 0.054 0.000 1.002 19 Y HN -0.482 7.993 8.280 0.360 0.022 0.551 20 K N 0.640 121.148 120.400 0.180 0.000 2.231 20 K HA 0.085 4.492 4.320 0.145 0.000 0.255 20 K C -1.004 175.648 176.600 0.088 0.000 1.108 20 K CA -0.643 55.718 56.287 0.124 0.000 0.997 20 K CB -1.517 31.032 32.500 0.082 0.000 1.549 20 K HN -0.364 7.930 8.250 0.162 0.054 0.419 21 Y N 5.965 126.274 120.300 0.014 0.000 2.620 21 Y HA -0.128 4.422 4.550 -0.000 0.000 0.352 21 Y C -0.714 175.189 175.900 0.006 0.000 1.140 21 Y CA -0.058 58.041 58.100 -0.000 0.000 1.529 21 Y CB 0.002 38.450 38.460 -0.020 0.000 1.321 21 Y HN 0.153 8.581 8.280 0.246 0.000 0.501 22 A N 6.777 129.602 122.820 0.009 0.000 2.457 22 A HA 0.088 4.447 4.320 0.066 0.000 0.298 22 A C -0.868 176.749 177.584 0.056 0.000 1.288 22 A CA -0.199 51.858 52.037 0.032 0.000 0.956 22 A CB -0.340 18.654 19.000 -0.009 0.000 1.135 22 A HN 0.058 8.140 8.150 -0.113 0.000 0.535 23 A N 2.970 125.856 122.820 0.110 0.000 2.401 23 A HA 0.096 4.499 4.320 0.138 0.000 0.259 23 A C 1.176 178.795 177.584 0.059 0.000 1.103 23 A CA -0.284 51.818 52.037 0.109 0.000 0.789 23 A CB 0.725 19.789 19.000 0.107 0.000 1.035 23 A HN 0.048 8.266 8.150 0.112 0.000 0.491 24 G N 2.141 110.971 108.800 0.049 0.000 3.709 24 G HA2 0.115 4.091 3.960 0.027 0.000 0.272 24 G HA3 0.115 4.090 3.960 0.025 0.000 0.272 24 G C -0.224 174.694 174.900 0.030 0.000 1.259 24 G CA -0.281 44.838 45.100 0.031 0.000 1.512 24 G HN 0.426 8.751 8.290 0.059 0.000 0.625 25 V N -1.072 118.862 119.914 0.032 0.000 3.174 25 V HA 0.007 4.142 4.120 0.024 0.000 0.254 25 V C 0.555 176.663 176.094 0.022 0.000 1.120 25 V CA -0.029 62.287 62.300 0.026 0.000 1.114 25 V CB -0.137 31.702 31.823 0.026 0.000 0.756 25 V HN -0.570 7.553 8.190 0.038 0.090 0.467 26 R N 0.729 121.244 120.500 0.025 0.000 2.652 26 R HA 0.002 4.355 4.340 0.022 0.000 0.271 26 R C -0.625 175.688 176.300 0.022 0.000 1.129 26 R CA -0.253 55.861 56.100 0.024 0.000 1.200 26 R CB 0.688 31.005 30.300 0.027 0.000 1.146 26 R HN -0.368 7.885 8.270 0.027 0.033 0.581 27 N N 0.967 119.680 118.700 0.022 0.000 2.406 27 N HA 0.194 4.943 4.740 0.014 0.000 0.251 27 N C -1.797 173.726 175.510 0.022 0.000 1.069 27 N CA -0.982 52.079 53.050 0.018 0.000 0.947 27 N CB 0.509 39.005 38.487 0.016 0.000 1.111 27 N HN 0.171 8.566 8.380 0.025 0.000 0.497 28 P HA -0.036 4.400 4.420 0.027 0.000 0.263 28 P C -0.878 176.423 177.300 0.001 0.000 1.601 28 P CA -0.275 62.834 63.100 0.015 0.000 1.161 28 P CB -0.282 31.424 31.700 0.009 0.000 1.730 29 Q N 3.946 123.748 119.800 0.004 0.000 2.370 29 Q HA 0.012 4.312 4.340 -0.066 0.000 0.186 29 Q C 0.537 176.485 176.000 -0.087 0.000 1.093 29 Q CA -0.437 55.330 55.803 -0.061 0.000 1.142 29 Q CB 0.418 29.098 28.738 -0.098 0.000 1.175 29 Q HN -0.020 8.272 8.270 0.037 0.000 0.625 30 Q N -0.360 119.317 119.800 -0.204 0.000 1.638 30 Q HA -0.144 4.152 4.340 -0.073 0.000 0.436 30 Q C -0.473 175.481 176.000 -0.076 0.000 0.941 30 Q CA 1.105 56.818 55.803 -0.150 0.000 0.899 30 Q CB -0.006 28.630 28.738 -0.169 0.000 0.930 30 Q HN 0.082 8.176 8.270 -0.293 0.000 0.401 31 H N -3.504 115.566 119.070 0.001 0.000 2.776 31 H HA -0.188 4.369 4.556 0.000 0.000 0.300 31 H C 0.292 175.620 175.328 -0.000 0.000 1.161 31 H CA -0.030 56.019 56.048 0.000 0.000 1.147 31 H CB -1.207 28.555 29.762 0.001 0.000 1.366 31 H HN -0.036 8.063 8.280 -0.302 0.000 0.397 32 L N -0.994 120.276 121.223 0.079 0.000 2.939 32 L HA 0.049 4.422 4.340 0.054 0.000 0.239 32 L C -0.336 176.559 176.870 0.041 0.000 1.325 32 L CA 0.555 55.424 54.840 0.049 0.000 1.170 32 L CB -1.580 40.492 42.059 0.022 0.000 1.538 32 L HN 0.027 8.252 8.230 0.039 0.029 0.452 33 N N -0.554 118.179 118.700 0.054 0.000 2.230 33 N HA 0.026 4.783 4.740 0.028 0.000 0.202 33 N C -0.792 174.734 175.510 0.027 0.000 1.119 33 N CA -0.010 53.063 53.050 0.038 0.000 0.851 33 N CB 0.728 39.242 38.487 0.045 0.000 0.990 33 N HN -0.520 7.797 8.380 0.081 0.112 0.497 34 A N -0.420 122.416 122.820 0.027 0.000 3.078 34 A HA 0.205 4.532 4.320 0.012 0.000 0.279 34 A C -0.156 177.435 177.584 0.012 0.000 1.594 34 A CA -0.306 51.741 52.037 0.016 0.000 1.301 34 A CB -1.344 17.665 19.000 0.014 0.000 1.162 34 A HN -0.212 7.881 8.150 0.035 0.077 0.585 35 Q N 2.815 122.621 119.800 0.010 0.000 2.274 35 Q HA 0.213 4.557 4.340 0.007 0.000 0.198 35 Q C -1.081 174.922 176.000 0.005 0.000 0.955 35 Q CA 0.787 56.594 55.803 0.007 0.000 0.859 35 Q CB -0.960 27.782 28.738 0.007 0.000 0.956 35 Q HN -0.122 8.107 8.270 0.011 0.047 0.516 36 P HA -0.019 4.402 4.420 0.003 0.000 0.285 36 P C -0.932 176.368 177.300 0.001 0.000 1.282 36 P CA -0.573 62.529 63.100 0.003 0.000 0.778 36 P CB 0.469 32.170 31.700 0.003 0.000 1.222 37 Q N -0.652 119.148 119.800 0.000 0.000 2.288 37 Q HA -0.017 4.322 4.340 -0.002 0.000 0.258 37 Q C -0.212 175.786 176.000 -0.003 0.000 0.957 37 Q CA -0.256 55.546 55.803 -0.001 0.000 0.919 37 Q CB 0.567 29.305 28.738 -0.001 0.000 1.185 37 Q HN 0.103 8.374 8.270 0.001 0.000 0.408 38 V N 4.442 124.353 119.914 -0.005 0.000 2.432 38 V HA 0.068 4.184 4.120 -0.007 0.000 0.271 38 V C -0.362 175.726 176.094 -0.011 0.000 1.046 38 V CA 0.592 62.888 62.300 -0.008 0.000 0.945 38 V CB 0.959 32.777 31.823 -0.009 0.000 0.992 38 V HN 0.198 8.385 8.190 -0.005 0.000 0.471 39 T N 8.941 123.488 114.554 -0.011 0.000 3.054 39 T HA 0.079 4.419 4.350 -0.016 0.000 0.255 39 T C -0.281 174.409 174.700 -0.017 0.000 1.035 39 T CA -0.411 61.681 62.100 -0.013 0.000 0.941 39 T CB 0.262 69.124 68.868 -0.009 0.000 1.026 39 T HN 0.307 8.542 8.240 -0.009 0.000 0.533 40 M N 0.110 119.701 119.600 -0.016 0.000 2.219 40 M HA 0.117 4.587 4.480 -0.017 0.000 0.280 40 M C 0.055 176.344 176.300 -0.020 0.000 1.189 40 M CA 0.482 55.772 55.300 -0.017 0.000 1.010 40 M CB -0.004 32.586 32.600 -0.017 0.000 1.422 40 M HN -0.660 7.564 8.290 -0.014 0.058 0.504 41 Q N -2.066 117.723 119.800 -0.019 0.000 2.481 41 Q HA -0.280 4.050 4.340 -0.017 0.000 0.258 41 Q C -1.682 174.304 176.000 -0.023 0.000 0.961 41 Q CA 1.407 57.198 55.803 -0.019 0.000 1.121 41 Q CB -2.259 26.468 28.738 -0.017 0.000 1.503 41 Q HN 0.510 8.769 8.270 -0.018 0.000 0.544 42 Q N -3.499 116.285 119.800 -0.027 0.000 2.759 42 Q HA 0.377 4.696 4.340 -0.036 0.000 0.225 42 Q C -2.524 173.450 176.000 -0.042 0.000 0.823 42 Q CA -2.204 53.576 55.803 -0.038 0.000 0.828 42 Q CB 0.240 28.951 28.738 -0.045 0.000 1.425 42 Q HN -0.287 7.920 8.270 -0.025 0.048 0.449 43 P HA -0.063 4.342 4.420 -0.026 0.000 0.272 43 P C -0.208 177.061 177.300 -0.051 0.000 1.248 43 P CA -0.541 62.538 63.100 -0.034 0.000 0.799 43 P CB 0.731 32.415 31.700 -0.026 0.000 0.997 44 A N 0.745 123.544 122.820 -0.035 0.000 3.074 44 A HA 0.065 4.343 4.320 -0.070 0.000 0.251 44 A C -0.521 177.047 177.584 -0.028 0.000 1.695 44 A CA -0.238 51.779 52.037 -0.034 0.000 1.343 44 A CB -1.610 17.395 19.000 0.007 0.000 1.078 44 A HN 0.235 8.372 8.150 -0.020 0.000 0.644 45 V N -3.022 116.851 119.914 -0.069 0.000 2.270 45 V HA 0.263 4.384 4.120 0.001 0.000 0.263 45 V C -0.383 175.668 176.094 -0.071 0.000 1.066 45 V CA -0.380 61.896 62.300 -0.040 0.000 0.857 45 V CB 0.047 31.848 31.823 -0.035 0.000 1.099 45 V HN -0.441 7.609 8.190 -0.095 0.083 0.476 46 H N 7.436 126.499 119.070 -0.011 0.000 2.509 46 H HA 0.152 4.701 4.556 -0.011 0.000 0.360 46 H C -0.049 175.271 175.328 -0.014 0.000 1.398 46 H CA -0.039 56.002 56.048 -0.011 0.000 1.429 46 H CB 2.777 32.533 29.762 -0.010 0.000 1.611 46 H HN 0.326 8.687 8.280 0.136 0.000 0.606 47 V N 2.270 122.302 119.914 0.197 0.000 2.304 47 V HA 0.117 4.269 4.120 0.054 0.000 0.262 47 V C -0.392 175.733 176.094 0.051 0.000 1.061 47 V CA -0.156 62.195 62.300 0.085 0.000 0.872 47 V CB -0.064 31.798 31.823 0.066 0.000 1.077 47 V HN 0.105 8.495 8.190 0.334 0.000 0.480 48 Q N 8.348 128.168 119.800 0.033 0.000 2.349 48 Q HA 0.025 4.366 4.340 0.003 0.000 0.209 48 Q C 0.496 176.495 176.000 -0.001 0.000 0.920 48 Q CA 0.283 56.092 55.803 0.010 0.000 0.901 48 Q CB 0.953 29.697 28.738 0.010 0.000 1.021 48 Q HN 0.613 8.903 8.270 0.034 0.000 0.519 49 G N 0.145 108.944 108.800 -0.002 0.000 2.508 49 G HA2 -0.007 3.946 3.960 -0.013 0.000 0.278 49 G HA3 -0.007 3.945 3.960 -0.015 0.000 0.278 49 G C -0.810 174.084 174.900 -0.011 0.000 1.389 49 G CA -0.503 44.591 45.100 -0.011 0.000 1.050 49 G HN 0.056 8.347 8.290 0.003 0.000 0.522 50 Q N -0.769 119.022 119.800 -0.015 0.000 2.199 50 Q HA 0.113 4.446 4.340 -0.011 0.000 0.205 50 Q C -0.434 175.556 176.000 -0.016 0.000 1.001 50 Q CA -0.863 54.932 55.803 -0.015 0.000 1.019 50 Q CB 1.473 30.201 28.738 -0.016 0.000 1.132 50 Q HN 0.069 8.328 8.270 -0.019 0.000 0.530 51 E N 1.394 121.585 120.200 -0.015 0.000 2.417 51 E HA -0.004 4.337 4.350 -0.016 0.000 0.261 51 E C -1.070 175.517 176.600 -0.022 0.000 1.000 51 E CA -0.880 55.510 56.400 -0.017 0.000 0.919 51 E CB -0.691 29.001 29.700 -0.014 0.000 0.955 51 E HN 0.189 8.541 8.360 -0.013 0.000 0.455 52 P HA 0.015 4.414 4.420 -0.035 0.000 0.279 52 P C -1.707 175.576 177.300 -0.028 0.000 1.282 52 P CA -0.820 62.261 63.100 -0.032 0.000 0.788 52 P CB 0.949 32.626 31.700 -0.039 0.000 1.139 53 L N -0.901 120.305 121.223 -0.029 0.000 2.312 53 L HA 0.131 4.461 4.340 -0.017 0.000 0.281 53 L C -0.584 176.273 176.870 -0.022 0.000 1.070 53 L CA -0.103 54.724 54.840 -0.020 0.000 0.805 53 L CB -0.270 41.781 42.059 -0.013 0.000 1.174 53 L HN 0.147 8.355 8.230 -0.036 0.000 0.434 54 T N -4.000 110.543 114.554 -0.018 0.000 2.676 54 T HA 0.125 4.464 4.350 -0.019 0.000 0.299 54 T C -0.619 174.070 174.700 -0.018 0.000 1.657 54 T CA -1.173 60.913 62.100 -0.022 0.000 0.985 54 T CB 1.834 70.682 68.868 -0.033 0.000 1.926 54 T HN -0.548 7.684 8.240 -0.014 0.000 0.456 55 A N -0.035 122.769 122.820 -0.026 0.000 1.908 55 A HA -0.319 4.016 4.320 -0.011 -0.022 0.218 55 A C 1.951 179.525 177.584 -0.017 0.000 1.181 55 A CA 3.739 55.764 52.037 -0.021 0.000 0.627 55 A CB -0.800 18.180 19.000 -0.033 0.000 0.818 55 A HN 0.755 8.883 8.150 -0.036 0.000 0.445 56 S N -1.336 114.350 115.700 -0.022 0.000 2.359 56 S HA -0.424 4.037 4.470 -0.015 0.000 0.224 56 S C 1.954 176.547 174.600 -0.012 0.000 1.035 56 S CA 3.493 61.682 58.200 -0.017 0.000 1.018 56 S CB -0.276 62.911 63.200 -0.021 0.000 0.876 56 S HN -0.098 8.195 8.310 -0.029 0.000 0.448 57 M N -0.284 119.309 119.600 -0.012 0.000 2.117 57 M HA -0.244 4.231 4.480 -0.008 0.000 0.262 57 M C 2.397 178.694 176.300 -0.004 0.000 1.065 57 M CA 1.837 57.132 55.300 -0.008 0.000 1.114 57 M CB -1.212 31.382 32.600 -0.009 0.000 1.361 57 M HN -0.296 7.985 8.290 -0.015 0.000 0.408 58 L N 0.380 121.601 121.223 -0.003 0.000 2.017 58 L HA -0.215 4.127 4.340 0.003 0.000 0.208 58 L C 2.647 179.518 176.870 0.001 0.000 1.073 58 L CA 2.115 56.956 54.840 0.001 0.000 0.745 58 L CB -1.949 40.112 42.059 0.003 0.000 0.894 58 L HN -0.041 8.091 8.230 -0.006 0.095 0.432 59 A N -3.390 119.429 122.820 -0.001 0.000 2.216 59 A HA -0.165 4.157 4.320 0.002 0.000 0.214 59 A C 1.015 178.599 177.584 -0.000 0.000 1.160 59 A CA 2.030 54.067 52.037 0.000 0.000 0.725 59 A CB -0.857 18.143 19.000 -0.001 0.000 0.784 59 A HN 0.180 8.328 8.150 -0.003 0.000 0.472 60 S N -1.770 113.929 115.700 -0.002 0.000 2.562 60 S HA -0.096 4.372 4.470 -0.002 0.000 0.221 60 S C -0.281 174.319 174.600 -0.000 0.000 0.975 60 S CA 0.371 58.570 58.200 -0.002 0.000 0.918 60 S CB 0.531 63.729 63.200 -0.003 0.000 0.772 60 S HN -0.397 7.695 8.310 -0.002 0.217 0.531 61 A N -0.789 122.032 122.820 0.001 0.000 3.253 61 A HA 0.539 4.860 4.320 0.002 0.000 0.290 61 A C -2.169 175.417 177.584 0.003 0.000 0.950 61 A CA -2.727 49.311 52.037 0.002 0.000 0.986 61 A CB -0.277 18.725 19.000 0.003 0.000 1.104 61 A HN -0.393 7.584 8.150 0.001 0.174 0.481 62 P HA -0.051 4.564 4.420 0.005 -0.192 0.214 62 P C -1.105 176.197 177.300 0.004 0.000 1.163 62 P CA 2.273 65.375 63.100 0.004 0.000 0.889 62 P CB -1.386 30.316 31.700 0.004 0.000 0.790 63 P HA 0.212 4.634 4.420 0.004 0.000 0.258 63 P C -1.022 176.280 177.300 0.003 0.000 1.416 63 P CA 0.045 63.147 63.100 0.003 0.000 0.927 63 P CB -0.397 31.305 31.700 0.003 0.000 1.444 64 Q N -0.373 119.429 119.800 0.004 0.000 2.175 64 Q HA 0.093 4.436 4.340 0.004 0.000 0.177 64 Q C -0.798 175.205 176.000 0.005 0.000 0.636 64 Q CA 0.275 56.081 55.803 0.004 0.000 0.657 64 Q CB 2.539 31.279 28.738 0.004 0.000 1.760 64 Q HN -0.478 7.584 8.270 0.004 0.210 0.417 65 E N -0.677 119.526 120.200 0.006 0.000 2.598 65 E HA 0.133 4.487 4.350 0.007 0.000 0.233 65 E C 0.181 176.786 176.600 0.007 0.000 1.173 65 E CA -0.134 56.270 56.400 0.007 0.000 1.473 65 E CB -1.302 28.403 29.700 0.008 0.000 1.398 65 E HN 0.309 8.672 8.360 0.005 0.000 0.431 66 Q N 0.983 120.787 119.800 0.006 0.000 2.291 66 Q HA -0.227 4.295 4.340 0.006 -0.178 0.205 66 Q C -0.458 175.547 176.000 0.009 0.000 0.970 66 Q CA 2.597 58.404 55.803 0.007 0.000 0.876 66 Q CB 0.403 29.145 28.738 0.007 0.000 0.935 66 Q HN -0.473 7.727 8.270 0.006 0.073 0.455 67 K N -5.562 114.843 120.400 0.008 0.000 2.896 67 K HA 0.237 4.563 4.320 0.010 0.000 0.210 67 K C -1.159 175.446 176.600 0.009 0.000 1.116 67 K CA -0.709 55.584 56.287 0.009 0.000 1.050 67 K CB -1.105 31.400 32.500 0.008 0.000 0.812 67 K HN 0.032 8.250 8.250 0.008 0.037 0.462 68 Q N -0.115 119.691 119.800 0.010 0.000 2.462 68 Q HA 0.110 4.457 4.340 0.010 0.000 0.194 68 Q C 0.251 176.261 176.000 0.017 0.000 0.694 68 Q CA 1.175 56.985 55.803 0.012 0.000 0.873 68 Q CB 2.134 30.879 28.738 0.011 0.000 1.261 68 Q HN -0.506 7.623 8.270 0.010 0.147 0.531 69 M N -0.271 119.339 119.600 0.017 0.000 2.623 69 M HA -0.373 4.204 4.480 0.027 -0.081 0.258 69 M C 1.708 178.022 176.300 0.023 0.000 1.067 69 M CA 3.512 58.825 55.300 0.021 0.000 1.068 69 M CB -0.096 32.513 32.600 0.014 0.000 1.409 69 M HN -0.713 7.585 8.290 0.013 0.000 0.504 70 L N -8.428 112.807 121.223 0.019 0.000 2.217 70 L HA -0.171 4.180 4.340 0.018 0.000 0.211 70 L C 0.671 177.557 176.870 0.027 0.000 1.107 70 L CA 0.978 55.830 54.840 0.020 0.000 0.783 70 L CB -0.734 41.335 42.059 0.018 0.000 0.919 70 L HN -0.422 7.725 8.230 0.017 0.093 0.442 71 G N -6.624 102.193 108.800 0.028 0.000 4.162 71 G HA2 0.175 4.217 3.960 0.042 0.000 0.252 71 G HA3 0.175 4.194 3.960 0.019 -0.048 0.252 71 G C -0.409 174.509 174.900 0.031 0.000 1.064 71 G CA 0.524 45.642 45.100 0.030 0.000 0.850 71 G HN -0.332 7.945 8.290 0.024 0.027 0.454 72 E N -1.460 118.763 120.200 0.038 0.000 2.606 72 E HA 0.273 4.643 4.350 0.033 0.000 0.224 72 E C -0.408 176.233 176.600 0.069 0.000 0.930 72 E CA 0.310 56.734 56.400 0.041 0.000 1.125 72 E CB 1.801 31.515 29.700 0.023 0.000 1.123 72 E HN -0.082 8.300 8.360 0.036 0.000 0.522 73 R N -1.797 118.744 120.500 0.068 0.000 2.517 73 R HA 0.133 4.521 4.340 0.081 0.000 0.265 73 R C 0.381 176.722 176.300 0.068 0.000 0.921 73 R CA -0.252 55.888 56.100 0.066 0.000 1.054 73 R CB 0.869 31.191 30.300 0.036 0.000 1.340 73 R HN -0.609 7.695 8.270 0.057 0.000 0.551 74 L N -1.092 120.178 121.223 0.078 0.000 2.395 74 L HA -0.168 4.188 4.340 0.026 0.000 0.218 74 L C 0.890 177.823 176.870 0.105 0.000 1.130 74 L CA 1.629 56.507 54.840 0.062 0.000 0.826 74 L CB -0.136 41.954 42.059 0.053 0.000 0.941 74 L HN -0.674 7.602 8.230 0.077 0.000 0.451 75 F N 0.624 120.569 119.950 -0.008 0.000 2.063 75 F HA -0.363 4.163 4.527 -0.001 0.000 0.298 75 F C -1.837 173.956 175.800 -0.012 0.000 1.109 75 F CA 3.798 61.795 58.000 -0.005 0.000 1.212 75 F CB -2.494 36.507 39.000 0.001 0.000 0.973 75 F HN -0.070 8.342 8.300 0.263 0.046 0.480 76 P HA -0.145 3.894 4.420 -0.635 0.000 0.234 76 P C -0.391 176.773 177.300 -0.227 0.000 1.167 76 P CA 2.169 65.036 63.100 -0.389 0.000 0.763 76 P CB -0.424 31.149 31.700 -0.212 0.000 0.835 77 L N -4.332 116.808 121.223 -0.138 0.000 2.316 77 L HA -0.000 4.274 4.340 -0.109 0.000 0.207 77 L C 2.325 179.120 176.870 -0.125 0.000 1.070 77 L CA 1.325 56.102 54.840 -0.105 0.000 0.820 77 L CB 0.070 42.091 42.059 -0.063 0.000 0.992 77 L HN -0.209 7.745 8.230 -0.094 0.219 0.466 78 I N 0.281 120.789 120.570 -0.102 0.000 2.226 78 I HA -0.565 3.457 4.170 -0.246 0.000 0.245 78 I C 1.907 177.917 176.117 -0.177 0.000 1.100 78 I CA 2.479 63.689 61.300 -0.150 0.000 1.374 78 I CB -2.316 35.684 38.000 0.000 0.000 1.057 78 I HN 0.484 8.662 8.210 -0.052 0.000 0.413 79 Q N -1.115 118.610 119.800 -0.125 0.000 2.325 79 Q HA -0.368 4.042 4.340 -0.025 -0.085 0.211 79 Q C 2.451 178.394 176.000 -0.095 0.000 0.988 79 Q CA 3.120 58.863 55.803 -0.100 0.000 0.887 79 Q CB -0.449 28.182 28.738 -0.178 0.000 0.915 79 Q HN -0.424 7.744 8.270 -0.156 0.008 0.440 80 A N -1.024 121.719 122.820 -0.128 0.000 1.903 80 A HA -0.109 4.165 4.320 -0.076 0.000 0.213 80 A C 1.170 178.683 177.584 -0.118 0.000 1.185 80 A CA 2.431 54.406 52.037 -0.105 0.000 0.628 80 A CB -0.474 18.467 19.000 -0.100 0.000 0.830 80 A HN -0.199 7.663 8.150 -0.150 0.197 0.446 81 M N -2.790 116.672 119.600 -0.230 0.000 2.132 81 M HA -0.213 4.178 4.480 -0.148 0.000 0.263 81 M C 0.912 177.116 176.300 -0.160 0.000 1.065 81 M CA 2.049 57.167 55.300 -0.303 0.000 1.122 81 M CB 0.582 32.809 32.600 -0.621 0.000 1.365 81 M HN -0.370 7.659 8.290 -0.271 0.098 0.411 82 H N -3.118 115.956 119.070 0.006 0.000 2.572 82 H HA 0.331 4.893 4.556 0.010 0.000 0.359 82 H C -2.121 173.213 175.328 0.010 0.000 1.134 82 H CA -3.530 52.526 56.048 0.013 0.000 1.187 82 H CB 0.754 30.531 29.762 0.025 0.000 1.597 82 H HN -0.033 8.046 8.280 -0.335 0.000 0.524 83 P HA -0.168 4.280 4.420 0.046 0.000 0.254 83 P C -0.909 176.435 177.300 0.074 0.000 1.467 83 P CA 0.810 63.953 63.100 0.072 0.000 1.281 83 P CB -1.356 30.378 31.700 0.056 0.000 1.754 84 T N -1.473 113.117 114.554 0.060 0.000 3.830 84 T HA -0.463 3.913 4.350 0.043 0.000 0.351 84 T C -0.510 174.259 174.700 0.115 0.000 0.758 84 T CA 0.752 62.891 62.100 0.065 0.000 1.857 84 T CB -0.418 68.477 68.868 0.044 0.000 1.864 84 T HN 0.186 8.430 8.240 0.037 0.018 0.772 85 L N -2.360 118.950 121.223 0.145 0.000 2.599 85 L HA -0.054 4.350 4.340 0.107 0.000 0.230 85 L C 0.360 177.340 176.870 0.184 0.000 1.141 85 L CA 0.421 55.346 54.840 0.143 0.000 0.877 85 L CB -0.229 41.901 42.059 0.118 0.000 1.009 85 L HN -0.740 7.432 8.230 0.163 0.156 0.447 86 A N -0.955 122.009 122.820 0.240 0.000 2.847 86 A HA -0.146 4.335 4.320 0.267 0.000 0.194 86 A C 0.555 178.298 177.584 0.266 0.000 1.893 86 A CA 1.073 53.294 52.037 0.307 0.000 0.983 86 A CB -0.024 19.228 19.000 0.420 0.000 1.762 86 A HN -0.566 7.623 8.150 0.214 0.089 0.802 87 G N -3.877 105.094 108.800 0.286 0.000 2.212 87 G HA2 -0.309 3.171 3.960 -0.800 0.000 0.266 87 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.266 87 G C 0.034 174.819 174.900 -0.192 0.000 0.978 87 G CA 1.069 46.067 45.100 -0.170 0.000 0.632 87 G HN 0.536 9.185 8.290 0.599 0.000 0.537 88 K N -2.491 117.876 120.400 -0.055 0.000 2.532 88 K HA 0.030 4.294 4.320 -0.093 0.000 0.169 88 K C 0.025 176.630 176.600 0.007 0.000 1.870 88 K CA 0.489 56.749 56.287 -0.044 0.000 1.217 88 K CB 0.489 32.976 32.500 -0.020 0.000 1.863 88 K HN -0.043 8.120 8.250 0.041 0.112 0.566 89 I N 1.021 121.631 120.570 0.067 0.000 2.053 89 I HA -0.534 3.676 4.170 0.066 0.000 0.227 89 I C 1.530 177.691 176.117 0.073 0.000 1.017 89 I CA 4.956 66.312 61.300 0.093 0.000 1.315 89 I CB -0.667 37.443 38.000 0.183 0.000 1.036 89 I HN 0.086 8.354 8.210 0.097 0.000 0.386 90 T N 0.411 115.023 114.554 0.096 0.000 2.759 90 T HA -0.272 4.117 4.350 0.064 0.000 0.269 90 T C 1.775 176.497 174.700 0.036 0.000 1.042 90 T CA 4.734 66.878 62.100 0.072 0.000 1.140 90 T CB -0.246 68.680 68.868 0.095 0.000 0.864 90 T HN -0.101 8.221 8.240 0.137 0.000 0.455 91 G N -1.577 107.229 108.800 0.011 0.000 2.462 91 G HA2 -0.217 3.929 3.960 -0.020 0.000 0.220 91 G HA3 -0.217 3.704 3.960 -0.065 0.000 0.220 91 G C 1.160 176.047 174.900 -0.023 0.000 1.121 91 G CA 1.761 46.845 45.100 -0.027 0.000 0.758 91 G HN 0.072 8.359 8.290 0.018 0.013 0.559 92 M N 1.417 121.009 119.600 -0.014 0.000 2.288 92 M HA -0.136 4.321 4.480 -0.037 0.000 0.266 92 M C 1.243 177.537 176.300 -0.010 0.000 1.072 92 M CA 2.572 57.859 55.300 -0.022 0.000 1.132 92 M CB 0.363 32.949 32.600 -0.024 0.000 1.386 92 M HN -0.380 7.663 8.290 -0.001 0.246 0.432 93 L N -3.506 117.723 121.223 0.009 0.000 2.551 93 L HA -0.209 4.141 4.340 0.018 0.000 0.230 93 L C -0.223 176.654 176.870 0.011 0.000 1.163 93 L CA 1.501 56.352 54.840 0.018 0.000 0.826 93 L CB -1.255 40.823 42.059 0.032 0.000 0.943 93 L HN -0.288 7.835 8.230 0.018 0.118 0.452 94 L N -4.153 117.071 121.223 0.002 0.000 2.928 94 L HA 0.120 4.463 4.340 0.005 0.000 0.246 94 L C -0.359 176.505 176.870 -0.009 0.000 1.239 94 L CA 0.262 55.102 54.840 -0.000 0.000 1.035 94 L CB -0.284 41.774 42.059 -0.001 0.000 1.360 94 L HN -0.741 7.387 8.230 -0.002 0.101 0.529 95 E N -4.495 115.697 120.200 -0.013 0.000 2.321 95 E HA -0.011 4.328 4.350 -0.018 0.000 0.158 95 E C -0.721 175.861 176.600 -0.030 0.000 0.877 95 E CA -0.290 56.096 56.400 -0.023 0.000 1.344 95 E CB 1.301 30.981 29.700 -0.032 0.000 1.630 95 E HN 0.094 8.289 8.360 -0.010 0.160 0.669 96 I N -0.827 119.730 120.570 -0.022 0.000 2.425 96 I HA -0.022 4.122 4.170 -0.043 0.000 0.171 96 I C 0.374 176.479 176.117 -0.019 0.000 1.405 96 I CA 0.362 61.647 61.300 -0.024 0.000 0.589 96 I CB -0.247 37.749 38.000 -0.006 0.000 1.869 96 I HN -0.326 7.876 8.210 -0.012 0.000 1.105 97 D N -0.296 120.098 120.400 -0.011 0.000 2.411 97 D HA -0.271 4.361 4.640 -0.013 0.000 0.226 97 D C 0.342 176.639 176.300 -0.005 0.000 0.988 97 D CA 2.146 56.141 54.000 -0.008 0.000 0.938 97 D CB -0.010 40.789 40.800 -0.002 0.000 0.883 97 D HN 0.075 8.440 8.370 -0.007 0.000 0.525 98 N N -6.861 111.838 118.700 -0.001 0.000 2.811 98 N HA -0.432 4.311 4.740 0.004 0.000 0.211 98 N C -0.166 175.348 175.510 0.007 0.000 0.990 98 N CA 2.873 55.924 53.050 0.002 0.000 1.362 98 N CB -1.087 37.398 38.487 -0.003 0.000 0.940 98 N HN 0.546 8.798 8.380 -0.001 0.128 0.572 99 S N -0.771 114.930 115.700 0.002 0.000 2.406 99 S HA -0.129 4.333 4.470 -0.014 0.000 0.228 99 S C 1.201 175.819 174.600 0.031 0.000 1.020 99 S CA 3.663 61.860 58.200 -0.005 0.000 0.965 99 S CB -0.439 62.745 63.200 -0.028 0.000 0.798 99 S HN -0.519 7.650 8.310 -0.001 0.141 0.488 100 E N 0.531 120.759 120.200 0.046 0.000 2.285 100 E HA -0.177 4.250 4.350 0.128 0.000 0.194 100 E C 2.643 179.287 176.600 0.073 0.000 0.997 100 E CA 2.514 58.962 56.400 0.080 0.000 0.845 100 E CB -0.508 29.229 29.700 0.060 0.000 0.782 100 E HN 0.584 8.941 8.360 0.029 0.020 0.491 101 L N -1.177 120.074 121.223 0.048 0.000 2.313 101 L HA -0.116 4.247 4.340 0.038 0.000 0.214 101 L C 0.734 177.633 176.870 0.049 0.000 1.119 101 L CA 2.489 57.352 54.840 0.039 0.000 0.809 101 L CB -0.127 41.946 42.059 0.022 0.000 0.933 101 L HN -0.195 7.899 8.230 0.036 0.158 0.449 102 L N -2.739 118.520 121.223 0.061 0.000 2.200 102 L HA -0.157 4.215 4.340 0.054 0.000 0.200 102 L C 1.743 178.693 176.870 0.133 0.000 1.072 102 L CA 2.637 57.519 54.840 0.069 0.000 0.787 102 L CB 0.095 42.179 42.059 0.042 0.000 0.957 102 L HN -0.738 7.371 8.230 0.056 0.155 0.459 103 H N -0.012 119.070 119.070 0.019 0.000 2.389 103 H HA -0.351 4.220 4.556 0.024 0.000 0.299 103 H C 2.181 177.513 175.328 0.008 0.000 1.081 103 H CA 3.115 59.176 56.048 0.021 0.000 1.345 103 H CB 0.936 30.719 29.762 0.035 0.000 1.393 103 H HN -0.059 8.338 8.280 0.195 0.000 0.520 104 M N -2.672 116.988 119.600 0.100 0.000 2.202 104 M HA -0.235 4.239 4.480 -0.021 -0.007 0.262 104 M C 1.413 177.717 176.300 0.007 0.000 1.063 104 M CA 3.572 58.885 55.300 0.021 0.000 1.097 104 M CB 0.023 32.643 32.600 0.033 0.000 1.382 104 M HN -0.632 7.739 8.290 0.134 0.000 0.413 105 L N -5.941 115.299 121.223 0.030 0.000 2.509 105 L HA -0.158 4.186 4.340 0.008 0.000 0.222 105 L C 0.564 177.444 176.870 0.016 0.000 1.123 105 L CA 0.622 55.473 54.840 0.019 0.000 0.856 105 L CB -0.396 41.679 42.059 0.026 0.000 0.985 105 L HN -0.805 7.336 8.230 0.054 0.121 0.456 106 E N -4.219 115.997 120.200 0.026 0.000 2.489 106 E HA 0.004 4.366 4.350 0.021 0.000 0.204 106 E C -0.099 176.480 176.600 -0.034 0.000 1.006 106 E CA 0.149 56.565 56.400 0.025 0.000 0.936 106 E CB 1.380 31.138 29.700 0.097 0.000 1.002 106 E HN -0.520 7.678 8.360 0.043 0.188 0.488 107 S N -0.922 114.722 115.700 -0.092 0.000 2.575 107 S HA 0.406 4.801 4.470 -0.125 0.000 0.278 107 S C -1.987 172.536 174.600 -0.128 0.000 1.139 107 S CA -3.526 54.580 58.200 -0.157 0.000 0.954 107 S CB 1.979 64.983 63.200 -0.326 0.000 1.054 107 S HN -0.553 7.712 8.310 -0.075 0.000 0.483 108 P HA 0.029 4.411 4.420 -0.063 0.000 0.239 108 P C -1.027 176.217 177.300 -0.092 0.000 1.184 108 P CA 0.930 63.981 63.100 -0.081 0.000 0.760 108 P CB 0.216 31.876 31.700 -0.066 0.000 0.884 109 E N -3.450 116.670 120.200 -0.134 0.000 2.441 109 E HA -0.170 4.124 4.350 -0.093 0.000 0.212 109 E C 0.543 177.060 176.600 -0.139 0.000 0.840 109 E CA 1.557 57.878 56.400 -0.132 0.000 1.143 109 E CB -0.023 29.577 29.700 -0.167 0.000 1.153 109 E HN 0.263 8.407 8.360 -0.171 0.113 0.539 110 S N 2.978 118.558 115.700 -0.200 0.000 2.356 110 S HA -0.264 4.102 4.470 -0.174 0.000 0.223 110 S C 1.647 176.209 174.600 -0.064 0.000 1.032 110 S CA 4.326 62.413 58.200 -0.188 0.000 1.005 110 S CB -0.240 62.754 63.200 -0.343 0.000 0.867 110 S HN 0.021 8.084 8.310 -0.235 0.106 0.449 111 L N 0.033 121.225 121.223 -0.052 0.000 2.187 111 L HA -0.258 4.087 4.340 0.009 0.000 0.213 111 L C 1.013 177.884 176.870 0.002 0.000 1.100 111 L CA 3.054 57.888 54.840 -0.012 0.000 0.765 111 L CB 0.069 42.119 42.059 -0.016 0.000 0.904 111 L HN -0.754 7.430 8.230 -0.077 0.000 0.437 112 R N -2.990 117.502 120.500 -0.013 0.000 2.075 112 R HA -0.192 4.154 4.340 0.011 0.000 0.220 112 R C 1.812 178.137 176.300 0.042 0.000 1.118 112 R CA 2.799 58.902 56.100 0.005 0.000 0.986 112 R CB 0.215 30.504 30.300 -0.019 0.000 0.884 112 R HN -0.934 7.162 8.270 -0.038 0.151 0.439 113 S N 0.577 116.288 115.700 0.019 0.000 2.402 113 S HA -0.154 4.348 4.470 0.053 0.000 0.229 113 S C 2.127 176.763 174.600 0.059 0.000 1.021 113 S CA 2.907 61.130 58.200 0.039 0.000 0.974 113 S CB -0.442 62.770 63.200 0.019 0.000 0.800 113 S HN 0.364 8.559 8.310 -0.015 0.106 0.484 114 K N 0.358 120.791 120.400 0.056 0.000 2.228 114 K HA -0.082 4.330 4.320 0.072 -0.048 0.202 114 K C 2.290 178.932 176.600 0.071 0.000 1.051 114 K CA 1.461 57.789 56.287 0.068 0.000 0.960 114 K CB -0.421 32.124 32.500 0.075 0.000 0.743 114 K HN 0.335 8.474 8.250 0.036 0.132 0.458 115 V N 2.019 121.985 119.914 0.087 0.000 2.255 115 V HA -0.381 3.802 4.120 0.105 0.000 0.243 115 V C 1.313 177.516 176.094 0.183 0.000 1.038 115 V CA 4.108 66.487 62.300 0.132 0.000 1.008 115 V CB -0.120 31.783 31.823 0.134 0.000 0.645 115 V HN -0.711 7.391 8.190 0.075 0.133 0.449 116 D N -1.688 118.845 120.400 0.222 0.000 2.158 116 D HA -0.358 4.218 4.640 -0.107 0.000 0.197 116 D C 2.597 178.882 176.300 -0.025 0.000 0.995 116 D CA 3.661 57.725 54.000 0.107 0.000 0.846 116 D CB -0.072 40.840 40.800 0.187 0.000 0.941 116 D HN -0.011 8.485 8.370 0.211 0.000 0.456 117 E N -1.472 118.744 120.200 0.027 0.000 2.107 117 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 117 E C 2.241 178.845 176.600 0.006 0.000 0.982 117 E CA 2.019 58.427 56.400 0.014 0.000 0.809 117 E CB -0.531 29.191 29.700 0.036 0.000 0.756 117 E HN -0.569 7.814 8.360 0.059 0.012 0.459 118 A N -0.838 121.995 122.820 0.021 0.000 2.070 118 A HA -0.191 4.135 4.320 0.010 0.000 0.220 118 A C 2.202 179.786 177.584 0.000 0.000 1.159 118 A CA 2.644 54.691 52.037 0.016 0.000 0.656 118 A CB -0.902 18.117 19.000 0.031 0.000 0.800 118 A HN -0.136 7.842 8.150 0.041 0.197 0.453 119 V N -0.369 119.526 119.914 -0.032 0.000 2.358 119 V HA -0.515 3.583 4.120 -0.036 0.000 0.246 119 V C 1.650 177.707 176.094 -0.061 0.000 1.047 119 V CA 4.301 66.551 62.300 -0.084 0.000 1.035 119 V CB -0.624 31.020 31.823 -0.298 0.000 0.658 119 V HN -0.070 7.932 8.190 -0.034 0.168 0.452 120 A N -1.678 121.108 122.820 -0.057 0.000 2.019 120 A HA -0.201 4.098 4.320 -0.035 0.000 0.219 120 A C 2.527 180.111 177.584 0.000 0.000 1.164 120 A CA 2.974 54.994 52.037 -0.029 0.000 0.644 120 A CB -0.992 17.995 19.000 -0.022 0.000 0.805 120 A HN -0.510 7.511 8.150 -0.065 0.090 0.449 121 V N -2.008 117.910 119.914 0.006 0.000 2.725 121 V HA -0.281 3.864 4.120 0.042 0.000 0.247 121 V C 1.313 177.436 176.094 0.048 0.000 1.058 121 V CA 3.484 65.800 62.300 0.027 0.000 1.080 121 V CB 0.262 32.090 31.823 0.009 0.000 0.713 121 V HN -0.671 7.350 8.190 -0.004 0.167 0.465 122 L N -0.660 120.580 121.223 0.028 0.000 2.072 122 L HA -0.152 4.221 4.340 0.055 0.000 0.205 122 L C 1.914 178.821 176.870 0.061 0.000 1.079 122 L CA 2.762 57.629 54.840 0.044 0.000 0.752 122 L CB 0.044 42.119 42.059 0.027 0.000 0.906 122 L HN -0.054 7.968 8.230 0.010 0.214 0.436 123 Q N -2.720 117.099 119.800 0.033 0.000 2.167 123 Q HA -0.303 4.053 4.340 0.027 0.000 0.202 123 Q C 2.172 178.192 176.000 0.032 0.000 0.970 123 Q CA 2.458 58.276 55.803 0.025 0.000 0.855 123 Q CB -0.496 28.244 28.738 0.003 0.000 0.911 123 Q HN 0.382 8.661 8.270 0.015 0.000 0.438 124 A N -4.163 118.685 122.820 0.047 0.000 2.167 124 A HA -0.094 4.236 4.320 0.017 0.000 0.214 124 A C 0.248 177.867 177.584 0.058 0.000 1.151 124 A CA 1.547 53.611 52.037 0.044 0.000 0.735 124 A CB -0.058 18.972 19.000 0.051 0.000 0.802 124 A HN -0.599 7.469 8.150 0.048 0.111 0.467 125 H N -4.122 114.945 119.070 -0.005 0.000 2.893 125 H HA 0.235 4.788 4.556 -0.004 0.000 0.270 125 H C 0.681 176.007 175.328 -0.005 0.000 1.095 125 H CA 0.314 56.359 56.048 -0.005 0.000 1.186 125 H CB 1.396 31.155 29.762 -0.004 0.000 1.562 125 H HN -0.610 7.564 8.280 0.153 0.198 0.536 126 Q N 0.038 119.882 119.800 0.073 0.000 1.714 126 Q HA -0.173 4.203 4.340 0.060 0.000 0.383 126 Q C 0.664 176.666 176.000 0.003 0.000 0.936 126 Q CA 2.104 57.932 55.803 0.042 0.000 0.888 126 Q CB 0.620 29.380 28.738 0.036 0.000 0.973 126 Q HN -0.519 7.670 8.270 0.069 0.122 0.420 127 A N -3.114 119.705 122.820 -0.001 0.000 2.462 127 A HA 0.076 4.388 4.320 -0.014 0.000 0.261 127 A C -0.062 177.508 177.584 -0.024 0.000 1.323 127 A CA -0.031 51.999 52.037 -0.011 0.000 0.913 127 A CB -0.354 18.644 19.000 -0.003 0.000 1.028 127 A HN 0.156 8.310 8.150 0.006 0.000 0.511 128 K N -0.766 119.610 120.400 -0.039 0.000 2.918 128 K HA 0.098 4.398 4.320 -0.034 0.000 0.318 128 K C 0.861 177.419 176.600 -0.071 0.000 0.995 128 K CA -0.495 55.762 56.287 -0.049 0.000 1.187 128 K CB 0.595 33.065 32.500 -0.051 0.000 1.413 128 K HN -0.507 7.621 8.250 -0.040 0.098 0.556 129 E N -0.828 119.325 120.200 -0.079 0.000 2.489 129 E HA -0.080 4.229 4.350 -0.068 0.000 0.193 129 E C 0.180 176.699 176.600 -0.135 0.000 1.057 129 E CA 0.446 56.796 56.400 -0.082 0.000 0.866 129 E CB -0.197 29.468 29.700 -0.058 0.000 0.916 129 E HN 0.417 8.735 8.360 -0.070 0.000 0.500 130 A N -1.413 121.271 122.820 -0.227 0.000 2.359 130 A HA 0.070 4.182 4.320 -0.347 0.000 0.240 130 A C -0.619 176.712 177.584 -0.422 0.000 1.306 130 A CA -0.291 51.470 52.037 -0.460 0.000 0.898 130 A CB -0.060 18.403 19.000 -0.894 0.000 0.956 130 A HN -0.235 7.716 8.150 -0.197 0.081 0.497 131 A N 0.102 122.804 122.820 -0.197 0.000 2.522 131 A HA -0.114 4.152 4.320 -0.091 0.000 0.256 131 A C 0.009 177.552 177.584 -0.068 0.000 1.086 131 A CA 0.368 52.342 52.037 -0.105 0.000 0.763 131 A CB 0.291 19.254 19.000 -0.061 0.000 1.024 131 A HN -0.431 7.507 8.150 -0.156 0.118 0.502 132 Q N 2.280 122.068 119.800 -0.020 0.000 2.261 132 Q HA 0.043 4.388 4.340 0.008 0.000 0.252 132 Q C -0.165 175.838 176.000 0.006 0.000 0.915 132 Q CA -0.450 55.361 55.803 0.014 0.000 0.915 132 Q CB 0.763 29.536 28.738 0.060 0.000 1.204 132 Q HN 0.033 8.300 8.270 -0.004 0.000 0.421 133 K N 2.499 122.902 120.400 0.005 0.000 2.262 133 K HA -0.019 4.300 4.320 -0.001 0.000 0.200 133 K C 0.041 176.644 176.600 0.005 0.000 1.049 133 K CA 0.064 56.352 56.287 0.002 0.000 0.979 133 K CB -0.403 32.097 32.500 -0.001 0.000 0.773 133 K HN 0.498 8.752 8.250 0.007 0.000 0.474 134 A N 2.154 124.980 122.820 0.010 0.000 2.473 134 A HA 0.073 4.397 4.320 0.006 0.000 0.282 134 A C -0.199 177.390 177.584 0.008 0.000 1.163 134 A CA 0.440 52.483 52.037 0.009 0.000 0.827 134 A CB -0.249 18.758 19.000 0.012 0.000 1.098 134 A HN -0.204 7.954 8.150 0.014 0.000 0.515 135 V N 0.809 120.726 119.914 0.005 0.000 3.621 135 V HA 0.115 4.237 4.120 0.004 0.000 0.285 135 V C -0.179 175.915 176.094 0.001 0.000 1.346 135 V CA 0.006 62.308 62.300 0.003 0.000 1.104 135 V CB 0.211 32.035 31.823 0.001 0.000 0.913 135 V HN 0.265 8.457 8.190 0.003 0.000 0.432 136 N N 0.277 118.978 118.700 0.001 0.000 2.422 136 N HA 0.124 4.864 4.740 -0.001 0.000 0.181 136 N C 0.576 176.085 175.510 -0.001 0.000 1.080 136 N CA 1.276 54.326 53.050 -0.000 0.000 0.893 136 N CB -0.601 37.886 38.487 0.000 0.000 0.973 136 N HN -0.056 8.265 8.380 0.002 0.060 0.456 137 S N -1.677 114.023 115.700 -0.000 0.000 2.562 137 S HA -0.046 4.422 4.470 -0.003 0.000 0.221 137 S C -0.129 174.468 174.600 -0.005 0.000 0.975 137 S CA 0.369 58.568 58.200 -0.002 0.000 0.918 137 S CB -0.060 63.140 63.200 0.001 0.000 0.772 137 S HN -0.306 7.960 8.310 0.002 0.045 0.531 138 A N 2.730 125.547 122.820 -0.006 0.000 2.275 138 A HA 0.115 4.427 4.320 -0.013 0.000 0.282 138 A C -0.395 177.181 177.584 -0.013 0.000 1.275 138 A CA -0.273 51.758 52.037 -0.010 0.000 0.842 138 A CB 0.299 19.293 19.000 -0.009 0.000 1.280 138 A HN -0.548 7.533 8.150 -0.003 0.067 0.508 139 T N -3.820 110.723 114.554 -0.017 0.000 2.922 139 T HA 0.150 4.491 4.350 -0.014 0.000 0.285 139 T C 0.461 175.153 174.700 -0.013 0.000 1.005 139 T CA -1.155 60.935 62.100 -0.017 0.000 1.061 139 T CB 0.812 69.665 68.868 -0.024 0.000 1.007 139 T HN -0.337 7.890 8.240 -0.021 0.000 0.502 140 G N 3.402 112.196 108.800 -0.010 0.000 2.651 140 G HA2 0.094 4.050 3.960 -0.007 0.000 0.226 140 G HA3 0.094 4.051 3.960 -0.005 0.000 0.226 140 G C -0.392 174.504 174.900 -0.006 0.000 1.542 140 G CA -0.055 45.041 45.100 -0.007 0.000 0.868 140 G HN 0.385 8.669 8.290 -0.010 0.000 0.588 141 V N 1.950 121.861 119.914 -0.005 0.000 2.334 141 V HA 0.241 4.360 4.120 -0.002 0.000 0.267 141 V C -1.980 174.112 176.094 -0.004 0.000 1.040 141 V CA -1.644 60.654 62.300 -0.003 0.000 0.866 141 V CB -0.031 31.791 31.823 -0.001 0.000 1.019 141 V HN -0.153 8.035 8.190 -0.005 0.000 0.468 142 P HA 0.054 4.468 4.420 -0.009 0.000 0.263 142 P C -0.457 176.844 177.300 0.002 0.000 1.195 142 P CA 0.552 63.650 63.100 -0.004 0.000 0.762 142 P CB 0.396 32.094 31.700 -0.002 0.000 0.799 143 T N 0.263 114.818 114.554 0.002 0.000 2.788 143 T HA 0.299 4.653 4.350 0.005 0.000 0.280 143 T C -0.953 173.754 174.700 0.012 0.000 0.984 143 T CA -0.658 61.446 62.100 0.006 0.000 0.972 143 T CB 1.376 70.247 68.868 0.004 0.000 1.039 143 T HN -0.063 8.176 8.240 -0.002 0.000 0.530 144 V N 0.000 119.922 119.914 0.013 0.000 2.409 144 V HA 0.000 4.134 4.120 0.023 0.000 0.244 144 V CA 0.000 62.310 62.300 0.017 0.000 1.235 144 V CB 0.000 31.833 31.823 0.017 0.000 1.184 144 V HN 0.000 8.196 8.190 0.010 0.000 0.556