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 1gi7_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALKKP GVYTRVSHFL PWIRSHT 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 16 I HA 0.000 4.174 4.170 0.007 0.000 0.288 16 I C 0.000 176.106 176.117 -0.019 0.000 1.063 16 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 16 I CB 0.000 37.954 38.000 -0.077 0.000 1.214 17 I N 4.338 124.906 120.570 -0.003 0.000 2.331 17 I HA 0.403 4.718 4.170 -0.006 -0.148 0.292 17 I C 0.579 176.678 176.117 -0.031 0.000 0.998 17 I CA -2.674 58.625 61.300 -0.002 0.000 1.267 17 I CB -0.946 37.072 38.000 0.030 0.000 1.386 17 I HN 0.437 8.654 8.210 0.010 0.000 0.476 18 G N 4.906 113.671 108.800 -0.059 0.000 2.593 18 G HA2 -0.376 3.533 3.960 -0.085 0.000 0.237 18 G HA3 -0.376 3.552 3.960 -0.053 0.000 0.237 18 G C -1.103 173.715 174.900 -0.137 0.000 1.312 18 G CA -0.177 44.874 45.100 -0.081 0.000 0.896 18 G HN 0.264 8.520 8.290 -0.057 0.000 0.574 19 G N 1.213 109.937 108.800 -0.127 0.000 2.698 19 G HA2 -0.403 3.482 3.960 -0.117 0.000 0.225 19 G HA3 -0.403 3.519 3.960 -0.172 -0.066 0.225 19 G C -1.459 173.309 174.900 -0.219 0.000 1.345 19 G CA -0.336 44.670 45.100 -0.156 0.000 0.871 19 G HN -0.110 8.122 8.290 -0.096 0.000 0.540 20 E N -2.093 117.969 120.200 -0.230 0.000 2.359 20 E HA 0.401 4.574 4.350 -0.294 0.000 0.266 20 E C -0.958 175.464 176.600 -0.295 0.000 0.920 20 E CA -2.299 53.958 56.400 -0.239 0.000 0.788 20 E CB 2.960 32.598 29.700 -0.103 0.000 1.279 20 E HN 0.008 8.251 8.360 -0.195 0.000 0.438 21 F N 0.175 120.097 119.950 -0.046 0.000 2.389 21 F HA 0.517 5.135 4.527 -0.070 -0.133 0.337 21 F C 0.822 176.582 175.800 -0.067 0.000 1.112 21 F CA 1.075 59.042 58.000 -0.054 0.000 1.192 21 F CB 1.531 40.513 39.000 -0.030 0.000 1.185 21 F HN 0.310 8.566 8.300 -0.074 0.000 0.552 22 T N -0.213 114.407 114.554 0.110 0.000 2.618 22 T HA 0.363 4.728 4.350 0.025 0.000 0.286 22 T C -2.210 172.487 174.700 -0.005 0.000 1.027 22 T CA -2.467 59.639 62.100 0.010 0.000 1.063 22 T CB 1.895 70.719 68.868 -0.072 0.000 1.440 22 T HN 0.639 8.963 8.240 0.140 0.000 0.505 23 T N -2.599 111.930 114.554 -0.041 0.000 2.906 23 T HA 0.277 4.619 4.350 -0.012 0.000 0.295 23 T C 0.112 174.767 174.700 -0.074 0.000 1.075 23 T CA -1.635 60.445 62.100 -0.033 0.000 1.005 23 T CB 2.335 71.193 68.868 -0.017 0.000 1.136 23 T HN -0.465 7.740 8.240 -0.057 0.000 0.498 24 I N 2.718 123.259 120.570 -0.048 0.000 2.315 24 I HA -0.362 3.741 4.170 -0.111 0.000 0.251 24 I C 1.172 177.216 176.117 -0.121 0.000 1.125 24 I CA 1.779 63.039 61.300 -0.067 0.000 1.392 24 I CB 0.232 38.249 38.000 0.028 0.000 1.065 24 I HN 0.758 8.965 8.210 -0.005 0.000 0.424 25 E N -3.132 117.016 120.200 -0.087 0.000 2.273 25 E HA -0.301 4.133 4.350 -0.102 -0.145 0.198 25 E C 0.611 177.115 176.600 -0.159 0.000 1.002 25 E CA 2.483 58.822 56.400 -0.102 0.000 0.828 25 E CB -0.796 28.869 29.700 -0.058 0.000 0.747 25 E HN 0.504 8.804 8.360 -0.054 0.027 0.491 26 N N -3.677 114.924 118.700 -0.166 0.000 2.422 26 N HA -0.029 4.623 4.740 -0.146 0.000 0.181 26 N C -0.169 175.159 175.510 -0.304 0.000 1.080 26 N CA 1.205 54.148 53.050 -0.179 0.000 0.893 26 N CB 1.065 39.481 38.487 -0.118 0.000 0.973 26 N HN -0.386 7.750 8.380 -0.140 0.160 0.456 27 Q N -2.486 117.054 119.800 -0.433 0.000 2.903 27 Q HA 0.484 4.176 4.340 -1.080 0.000 0.342 27 Q C -2.021 173.449 176.000 -0.882 0.000 0.808 27 Q CA -1.995 53.370 55.803 -0.729 0.000 1.004 27 Q CB 0.249 28.771 28.738 -0.360 0.000 1.470 27 Q HN 0.010 7.884 8.270 -0.337 0.194 0.387 28 P HA 0.052 4.491 4.420 -0.232 -0.159 0.234 28 P C -0.266 176.900 177.300 -0.224 0.000 1.167 28 P CA 1.499 64.345 63.100 -0.423 0.000 0.763 28 P CB 0.035 31.559 31.700 -0.293 0.000 0.835 29 W N -4.559 116.814 121.300 0.123 0.000 3.220 29 W HA 0.375 5.225 4.660 0.081 -0.141 0.328 29 W C -1.301 175.296 176.519 0.130 0.000 1.205 29 W CA -3.585 53.822 57.345 0.103 0.000 1.773 29 W CB -0.925 28.581 29.460 0.076 0.000 1.086 29 W HN -0.686 6.463 8.180 -1.568 0.090 0.622 30 F N 4.090 124.071 119.950 0.052 0.000 2.456 30 F HA 0.349 5.160 4.527 0.224 -0.150 0.358 30 F C -2.097 173.793 175.800 0.150 0.000 1.095 30 F CA -0.360 57.716 58.000 0.125 0.000 1.216 30 F CB 1.947 40.945 39.000 -0.003 0.000 1.125 30 F HN -0.239 7.912 8.300 0.034 0.170 0.549 31 A N 6.500 128.913 122.820 -0.679 0.000 2.342 31 A HA 0.874 5.299 4.320 -0.083 -0.154 0.323 31 A C -2.416 174.833 177.584 -0.559 0.000 1.125 31 A CA -2.400 49.426 52.037 -0.351 0.000 0.785 31 A CB 3.513 22.426 19.000 -0.145 0.000 1.221 31 A HN 0.520 8.049 8.150 -0.869 0.099 0.463 32 A N 2.784 125.591 122.820 -0.022 0.000 2.288 32 A HA 0.533 4.995 4.320 0.236 0.000 0.320 32 A C -1.993 175.740 177.584 0.249 0.000 1.217 32 A CA -1.955 50.248 52.037 0.277 0.000 0.840 32 A CB 1.830 21.213 19.000 0.639 0.000 1.179 32 A HN 0.546 8.802 8.150 0.177 0.000 0.504 33 I N 3.275 123.827 120.570 -0.030 0.000 2.404 33 I HA 0.711 5.233 4.170 0.293 -0.175 0.293 33 I C -1.078 174.956 176.117 -0.138 0.000 0.992 33 I CA -1.219 60.109 61.300 0.047 0.000 1.149 33 I CB 1.832 39.842 38.000 0.017 0.000 1.315 33 I HN 0.309 8.385 8.210 -0.224 0.000 0.446 34 Y N 4.623 125.075 120.300 0.252 0.000 2.630 34 Y HA 0.654 5.411 4.550 0.160 -0.110 0.337 34 Y C -1.343 174.679 175.900 0.205 0.000 1.051 34 Y CA -2.123 56.114 58.100 0.230 0.000 1.121 34 Y CB 4.514 43.142 38.460 0.279 0.000 1.299 34 Y HN 0.973 9.621 8.280 0.613 0.000 0.498 35 R N -0.663 119.985 120.500 0.247 0.000 2.686 35 R HA 0.846 5.278 4.340 -0.154 -0.185 0.286 35 R C -1.462 174.850 176.300 0.021 0.000 0.969 35 R CA -1.911 54.165 56.100 -0.038 0.000 0.898 35 R CB 4.598 34.783 30.300 -0.191 0.000 1.183 35 R HN 0.840 9.284 8.270 0.290 0.000 0.456 36 R N 4.049 124.523 120.500 -0.043 0.000 2.474 36 R HA 0.425 4.783 4.340 0.030 0.000 0.295 36 R C -0.236 176.046 176.300 -0.030 0.000 0.980 36 R CA -0.990 55.106 56.100 -0.006 0.000 0.934 36 R CB 1.287 31.584 30.300 -0.004 0.000 1.101 36 R HN 0.716 8.910 8.270 -0.126 0.000 0.469 37 S N 1.615 117.325 115.700 0.018 0.000 3.626 37 S HA -0.389 4.096 4.470 0.025 0.000 0.710 37 S C -0.992 173.635 174.600 0.045 0.000 1.285 37 S CA 1.182 59.400 58.200 0.030 0.000 0.824 37 S CB 0.398 63.619 63.200 0.036 0.000 0.812 37 S HN 0.338 8.657 8.310 0.016 0.000 0.364 38 V N -2.540 117.413 119.914 0.066 0.000 2.487 38 V HA 0.550 4.939 4.120 0.104 -0.207 0.298 38 V C -0.844 175.367 176.094 0.196 0.000 1.028 38 V CA -1.835 60.533 62.300 0.113 0.000 0.860 38 V CB 2.437 34.301 31.823 0.069 0.000 0.991 38 V HN -0.231 7.994 8.190 0.059 0.000 0.427 39 T N 1.495 116.193 114.554 0.240 0.000 2.885 39 T HA 0.403 4.929 4.350 0.295 0.000 0.285 39 T C -0.552 174.380 174.700 0.386 0.000 1.019 39 T CA -2.075 60.194 62.100 0.283 0.000 1.010 39 T CB 3.202 72.175 68.868 0.175 0.000 1.022 39 T HN 0.530 8.890 8.240 0.200 0.000 0.466 40 Y N 4.318 124.757 120.300 0.231 0.000 2.397 40 Y HA -0.194 4.166 4.550 -0.318 0.000 0.335 40 Y C -1.105 174.829 175.900 0.056 0.000 1.213 40 Y CA 1.868 59.950 58.100 -0.030 0.000 1.391 40 Y CB 0.754 39.169 38.460 -0.075 0.000 1.293 40 Y HN 0.210 8.778 8.280 0.480 0.000 0.557 41 V N 5.123 124.665 119.914 -0.620 0.000 2.939 41 V HA 0.023 4.064 4.120 -0.132 0.000 0.228 41 V C -1.030 174.690 176.094 -0.624 0.000 1.162 41 V CA 0.978 63.047 62.300 -0.385 0.000 1.222 41 V CB 2.760 34.480 31.823 -0.172 0.000 1.053 41 V HN 0.462 7.982 8.190 -1.116 0.000 0.504 42 c N -6.493 111.581 118.600 -0.876 0.000 3.316 42 c HA 0.357 4.681 4.570 -0.411 0.000 0.360 42 c C -1.657 172.165 174.090 -0.448 0.000 1.560 42 c CA -1.080 54.910 56.329 -0.564 0.000 1.229 42 c CB 3.987 46.261 42.510 -0.394 0.000 1.823 42 c HN -0.737 6.954 8.230 -0.897 0.000 0.440 43 G N -1.370 107.385 108.800 -0.075 0.000 2.601 43 G HA2 0.812 4.816 3.960 -0.126 0.000 0.317 43 G HA3 0.812 4.892 3.960 0.199 0.000 0.317 43 G C -2.430 172.394 174.900 -0.126 0.000 1.246 43 G CA -1.537 43.540 45.100 -0.037 0.000 1.012 43 G HN 0.123 8.395 8.290 -0.031 0.000 0.494 44 G N -3.533 105.112 108.800 -0.259 0.000 2.663 44 G HA2 0.764 4.960 3.960 -0.030 0.000 0.299 44 G HA3 0.764 4.671 3.960 -0.089 0.000 0.299 44 G C -2.760 172.086 174.900 -0.090 0.000 1.372 44 G CA -0.199 44.837 45.100 -0.108 0.000 0.781 44 G HN 0.246 8.162 8.290 -0.622 0.000 0.491 45 S N -1.127 114.581 115.700 0.013 0.000 2.549 45 S HA 0.919 5.719 4.470 0.169 -0.229 0.280 45 S C -1.555 173.096 174.600 0.086 0.000 1.109 45 S CA -0.849 57.416 58.200 0.109 0.000 0.905 45 S CB 4.327 67.601 63.200 0.122 0.000 1.081 45 S HN 0.237 8.554 8.310 0.012 0.000 0.477 46 L N 3.913 125.219 121.223 0.140 0.000 2.281 46 L HA 0.239 4.733 4.340 0.052 -0.123 0.285 46 L C -0.938 175.987 176.870 0.092 0.000 1.074 46 L CA -0.174 54.724 54.840 0.097 0.000 0.817 46 L CB 0.945 43.074 42.059 0.116 0.000 1.168 46 L HN 0.442 8.717 8.230 0.244 0.101 0.434 47 M N 5.622 125.269 119.600 0.079 0.000 2.412 47 M HA 0.064 4.557 4.480 0.022 0.000 0.263 47 M C 0.189 176.529 176.300 0.067 0.000 1.122 47 M CA 2.573 57.907 55.300 0.056 0.000 1.179 47 M CB 1.435 34.066 32.600 0.051 0.000 1.335 47 M HN 0.688 9.035 8.290 0.094 0.000 0.465 48 S N -4.474 111.291 115.700 0.109 0.000 2.671 48 S HA 0.447 4.963 4.470 0.077 0.000 0.277 48 S C -1.774 172.875 174.600 0.082 0.000 1.165 48 S CA -1.766 56.498 58.200 0.106 0.000 0.822 48 S CB 1.113 64.402 63.200 0.148 0.000 1.150 48 S HN -0.791 7.604 8.310 0.141 0.000 0.479 49 P HA -0.167 4.250 4.420 -0.005 0.000 0.217 49 P C -0.030 177.210 177.300 -0.099 0.000 1.151 49 P CA 2.540 65.636 63.100 -0.006 0.000 0.849 49 P CB 0.046 31.753 31.700 0.012 0.000 0.787 50 c N -7.992 110.545 118.600 -0.105 0.000 3.038 50 c HA 0.279 4.638 4.570 -0.351 0.000 0.279 50 c C -1.079 172.733 174.090 -0.464 0.000 1.276 50 c CA -0.873 55.260 56.329 -0.327 0.000 1.697 50 c CB -0.599 41.670 42.510 -0.400 0.000 2.032 50 c HN -0.035 8.171 8.230 0.002 0.025 0.636 51 W N -1.065 120.161 121.300 -0.123 0.000 2.656 51 W HA 0.507 5.260 4.660 -0.134 -0.173 0.327 51 W C -1.610 174.841 176.519 -0.113 0.000 1.041 51 W CA -1.136 56.138 57.345 -0.118 0.000 1.229 51 W CB 2.793 32.200 29.460 -0.088 0.000 1.397 51 W HN -0.255 7.868 8.180 0.108 0.121 0.479 52 V N 3.024 123.015 119.914 0.129 0.000 2.628 52 V HA 0.858 5.206 4.120 0.049 -0.199 0.306 52 V C -1.776 174.364 176.094 0.077 0.000 1.045 52 V CA -1.636 60.691 62.300 0.045 0.000 0.905 52 V CB 3.499 35.292 31.823 -0.051 0.000 0.997 52 V HN 0.899 9.163 8.190 0.122 0.000 0.436 53 I N 5.984 126.586 120.570 0.053 0.000 2.530 53 I HA 0.823 5.197 4.170 0.057 -0.169 0.297 53 I C -2.085 174.047 176.117 0.025 0.000 1.011 53 I CA -2.476 58.852 61.300 0.047 0.000 1.107 53 I CB 2.816 40.844 38.000 0.046 0.000 1.285 53 I HN 0.509 8.746 8.210 0.044 0.000 0.436 54 S N 6.299 122.012 115.700 0.023 0.000 3.341 54 S HA 0.540 5.217 4.470 -0.002 -0.208 0.326 54 S C -2.177 172.404 174.600 -0.032 0.000 1.178 54 S CA -1.790 56.420 58.200 0.017 0.000 1.002 54 S CB 2.319 65.584 63.200 0.108 0.000 1.385 54 S HN 0.520 8.846 8.310 0.026 0.000 0.710 55 A N -0.602 122.159 122.820 -0.098 0.000 2.318 55 A HA 0.586 4.932 4.320 -0.207 -0.151 0.324 55 A C 0.449 177.878 177.584 -0.258 0.000 1.170 55 A CA -1.496 50.390 52.037 -0.251 0.000 0.810 55 A CB 1.990 20.709 19.000 -0.467 0.000 1.198 55 A HN 0.392 8.480 8.150 -0.103 0.000 0.484 56 T N 6.547 120.939 114.554 -0.271 0.000 2.759 56 T HA -0.428 3.920 4.350 -0.003 0.000 0.269 56 T C 1.288 175.696 174.700 -0.488 0.000 1.042 56 T CA 4.545 66.465 62.100 -0.300 0.000 1.140 56 T CB -0.207 68.386 68.868 -0.459 0.000 0.864 56 T HN 0.695 8.766 8.240 -0.274 0.005 0.455 57 H N -0.640 118.042 119.070 -0.645 0.000 2.518 57 H HA -0.219 3.988 4.556 -0.582 0.000 0.289 57 H C 1.029 176.103 175.328 -0.423 0.000 1.051 57 H CA 2.312 58.020 56.048 -0.565 0.000 1.280 57 H CB -0.787 28.571 29.762 -0.674 0.000 1.380 57 H HN -0.074 8.146 8.280 -0.614 -0.308 0.566 58 c N -1.591 116.590 118.600 -0.698 0.000 2.446 58 c HA -0.163 4.143 4.570 -0.439 0.000 0.279 58 c C -0.146 173.373 174.090 -0.952 0.000 1.366 58 c CA 2.065 57.878 56.329 -0.861 0.000 1.763 58 c CB -1.461 40.251 42.510 -1.330 0.000 1.929 58 c HN -0.635 6.942 8.230 -0.822 0.159 0.509 59 F N -2.047 117.795 119.950 -0.180 0.000 2.509 59 F HA 0.483 5.013 4.527 0.005 0.000 0.334 59 F C -1.176 174.605 175.800 -0.032 0.000 1.060 59 F CA -2.736 55.199 58.000 -0.108 0.000 0.997 59 F CB 0.824 39.676 39.000 -0.246 0.000 1.271 59 F HN -0.651 7.211 8.300 -0.503 0.136 0.488 60 P HA 0.330 4.905 4.420 0.257 0.000 0.394 60 P C -1.903 175.509 177.300 0.186 0.000 1.213 60 P CA -0.062 63.162 63.100 0.208 0.000 1.342 60 P CB 0.140 31.917 31.700 0.128 0.000 2.449 61 K N 0.645 121.203 120.400 0.264 0.000 2.306 61 K HA 0.325 4.719 4.320 0.123 0.000 0.236 61 K C 0.783 177.542 176.600 0.265 0.000 1.013 61 K CA -1.815 54.577 56.287 0.175 0.000 0.857 61 K CB 1.192 33.751 32.500 0.098 0.000 1.214 61 K HN -0.345 8.150 8.250 0.408 0.000 0.449 62 E N -1.858 118.412 120.200 0.117 0.000 3.520 62 E HA -0.374 4.012 4.350 0.060 0.000 0.263 62 E C 1.191 177.823 176.600 0.054 0.000 0.708 62 E CA 2.698 59.140 56.400 0.070 0.000 0.884 62 E CB -0.438 29.284 29.700 0.037 0.000 1.469 62 E HN 0.903 9.321 8.360 0.097 0.000 0.446 63 D N -2.128 118.292 120.400 0.034 0.000 2.363 63 D HA 0.178 4.789 4.640 -0.049 0.000 0.214 63 D C -1.702 174.496 176.300 -0.171 0.000 1.093 63 D CA -0.060 53.879 54.000 -0.101 0.000 0.837 63 D CB 1.157 41.835 40.800 -0.202 0.000 0.948 63 D HN 0.148 8.463 8.370 0.092 0.110 0.507 64 Y N -1.705 118.643 120.300 0.080 0.000 2.457 64 Y HA 0.567 5.389 4.550 0.150 -0.182 0.333 64 Y C -0.791 175.171 175.900 0.103 0.000 1.119 64 Y CA -0.486 57.685 58.100 0.118 0.000 1.143 64 Y CB 2.720 41.259 38.460 0.132 0.000 1.230 64 Y HN -0.507 7.885 8.280 0.278 0.054 0.469 65 I N -0.651 120.115 120.570 0.326 0.000 2.608 65 I HA 0.436 4.814 4.170 0.118 -0.137 0.295 65 I C -1.423 174.871 176.117 0.294 0.000 1.049 65 I CA -2.638 58.785 61.300 0.205 0.000 1.063 65 I CB 3.056 41.148 38.000 0.152 0.000 1.248 65 I HN 0.641 8.997 8.210 0.419 0.106 0.424 66 V N 5.137 125.154 119.914 0.173 0.000 2.680 66 V HA 0.680 5.218 4.120 0.381 -0.190 0.309 66 V C -1.661 174.570 176.094 0.228 0.000 1.052 66 V CA -1.705 60.752 62.300 0.261 0.000 0.908 66 V CB 3.279 35.192 31.823 0.150 0.000 1.001 66 V HN 0.225 8.458 8.190 0.070 0.000 0.431 67 Y N 3.184 123.704 120.300 0.367 0.000 2.462 67 Y HA 0.837 5.812 4.550 0.339 -0.222 0.346 67 Y C -0.999 175.084 175.900 0.304 0.000 0.976 67 Y CA -1.998 56.306 58.100 0.339 0.000 1.044 67 Y CB 4.482 43.130 38.460 0.313 0.000 1.230 67 Y HN 0.811 9.429 8.280 0.562 0.000 0.455 68 L N -1.184 120.321 121.223 0.470 0.000 2.341 68 L HA 0.556 5.063 4.340 0.279 0.000 0.267 68 L C 0.615 177.667 176.870 0.303 0.000 1.009 68 L CA -1.498 53.544 54.840 0.336 0.000 0.819 68 L CB 3.836 46.089 42.059 0.324 0.000 1.323 68 L HN 0.463 8.988 8.230 0.492 0.000 0.425 69 G N -1.077 107.862 108.800 0.233 0.000 2.225 69 G HA2 -0.458 3.715 3.960 0.133 0.000 0.264 69 G HA3 -0.458 3.597 3.960 0.159 0.000 0.264 69 G C -1.575 173.439 174.900 0.190 0.000 1.060 69 G CA 0.293 45.499 45.100 0.176 0.000 0.833 69 G HN 0.550 8.968 8.290 0.215 0.000 0.498 70 R N -1.790 118.863 120.500 0.256 0.000 2.343 70 R HA 0.073 4.520 4.340 0.179 0.000 0.320 70 R C -1.678 174.808 176.300 0.310 0.000 0.956 70 R CA -0.788 55.472 56.100 0.267 0.000 0.836 70 R CB 1.154 31.660 30.300 0.342 0.000 1.151 70 R HN -0.250 8.201 8.270 0.302 0.000 0.450 71 S N 3.521 119.355 115.700 0.222 0.000 2.492 71 S HA 0.010 4.585 4.470 0.174 0.000 0.218 71 S C -0.583 174.218 174.600 0.335 0.000 1.016 71 S CA 1.236 59.560 58.200 0.207 0.000 0.916 71 S CB 1.475 64.730 63.200 0.092 0.000 0.791 71 S HN 0.584 8.986 8.310 0.153 0.000 0.513 72 R N -0.601 120.037 120.500 0.230 0.000 2.711 72 R HA 0.578 5.213 4.340 0.174 -0.192 0.284 72 R C -0.335 175.813 176.300 -0.254 0.000 0.968 72 R CA -1.243 54.893 56.100 0.060 0.000 0.924 72 R CB 2.769 33.056 30.300 -0.022 0.000 1.162 72 R HN -1.005 7.362 8.270 0.162 0.000 0.465 73 L N 1.715 122.551 121.223 -0.645 0.000 2.005 73 L HA -0.174 3.443 4.340 -1.204 0.000 0.207 73 L C 0.933 177.636 176.870 -0.278 0.000 1.072 73 L CA 2.502 56.847 54.840 -0.824 0.000 0.744 73 L CB 0.784 42.331 42.059 -0.852 0.000 0.895 73 L HN 0.731 8.559 8.230 -0.474 0.117 0.433 74 N N -3.404 115.175 118.700 -0.201 0.000 2.200 74 N HA 0.076 4.728 4.740 -0.146 0.000 0.224 74 N C -0.627 174.796 175.510 -0.144 0.000 1.179 74 N CA 0.417 53.385 53.050 -0.137 0.000 0.877 74 N CB 1.327 39.769 38.487 -0.075 0.000 1.072 74 N HN -0.064 8.481 8.380 -0.213 -0.293 0.519 75 S N 0.794 116.407 115.700 -0.145 0.000 2.677 75 S HA 0.309 4.714 4.470 -0.109 0.000 0.304 75 S C -1.219 173.305 174.600 -0.128 0.000 1.108 75 S CA -1.283 56.849 58.200 -0.114 0.000 0.944 75 S CB 2.032 65.183 63.200 -0.082 0.000 1.127 75 S HN -0.317 7.899 8.310 -0.157 0.000 0.511 76 N N 0.376 119.016 118.700 -0.100 0.000 2.495 76 N HA 0.097 4.893 4.740 -0.134 -0.136 0.280 76 N C -0.645 174.841 175.510 -0.040 0.000 1.168 76 N CA 0.154 53.151 53.050 -0.087 0.000 0.978 76 N CB 1.216 39.666 38.487 -0.061 0.000 1.191 76 N HN 0.143 8.475 8.380 -0.081 0.000 0.497 77 T N 1.879 116.425 114.554 -0.013 0.000 2.841 77 T HA 0.194 4.549 4.350 0.008 0.000 0.283 77 T C -1.331 173.383 174.700 0.025 0.000 1.000 77 T CA -0.583 61.527 62.100 0.017 0.000 0.977 77 T CB 1.938 70.836 68.868 0.050 0.000 0.979 77 T HN -0.001 8.538 8.240 -0.015 -0.307 0.446 78 Q N 5.166 124.978 119.800 0.020 0.000 2.332 78 Q HA -0.110 4.242 4.340 0.021 0.000 0.263 78 Q C 0.937 176.958 176.000 0.035 0.000 0.979 78 Q CA 1.023 56.839 55.803 0.022 0.000 0.885 78 Q CB 0.279 29.024 28.738 0.013 0.000 1.218 78 Q HN 0.322 8.601 8.270 0.015 0.000 0.405 79 G N 4.294 113.118 108.800 0.041 0.000 2.179 79 G HA2 -0.277 3.709 3.960 0.044 0.000 0.220 79 G HA3 -0.277 3.713 3.960 0.050 0.000 0.220 79 G C -0.723 174.225 174.900 0.080 0.000 0.990 79 G CA -0.451 44.681 45.100 0.052 0.000 0.646 79 G HN 0.326 8.636 8.290 0.035 0.000 0.517 80 E N 0.520 120.777 120.200 0.095 0.000 2.374 80 E HA 0.182 4.786 4.350 0.177 -0.147 0.260 80 E C -0.857 175.824 176.600 0.136 0.000 1.101 80 E CA -0.724 55.770 56.400 0.158 0.000 0.907 80 E CB 1.009 30.826 29.700 0.195 0.000 1.014 80 E HN -0.617 7.738 8.360 0.077 0.051 0.427 81 M N 0.657 120.356 119.600 0.164 0.000 2.395 81 M HA 0.297 4.691 4.480 -0.144 0.000 0.307 81 M C -1.788 174.375 176.300 -0.228 0.000 1.091 81 M CA -0.650 54.608 55.300 -0.071 0.000 0.919 81 M CB 4.620 37.214 32.600 -0.009 0.000 1.662 81 M HN 0.495 8.839 8.290 0.265 0.106 0.440 82 K N 3.929 123.966 120.400 -0.605 0.000 2.221 82 K HA 0.637 4.556 4.320 -0.916 -0.149 0.258 82 K C -1.441 174.609 176.600 -0.917 0.000 0.944 82 K CA -0.960 54.851 56.287 -0.793 0.000 0.823 82 K CB 2.398 34.502 32.500 -0.660 0.000 1.113 82 K HN 0.287 8.187 8.250 -0.585 0.000 0.431 83 F N 2.434 122.210 119.950 -0.290 0.000 2.650 83 F HA 0.323 4.858 4.527 -0.140 -0.092 0.320 83 F C -1.122 174.596 175.800 -0.137 0.000 1.091 83 F CA -1.122 56.780 58.000 -0.165 0.000 0.962 83 F CB 4.288 43.214 39.000 -0.122 0.000 1.363 83 F HN 0.635 8.792 8.300 -0.238 0.000 0.482 84 E N -1.685 118.585 120.200 0.116 0.000 2.264 84 E HA 0.487 4.867 4.350 0.050 0.000 0.260 84 E C -0.713 175.906 176.600 0.033 0.000 0.961 84 E CA -2.652 53.777 56.400 0.049 0.000 0.834 84 E CB 3.101 32.809 29.700 0.014 0.000 1.230 84 E HN 0.708 9.060 8.360 0.165 0.107 0.412 85 V N 1.508 121.427 119.914 0.008 0.000 2.318 85 V HA 0.096 4.285 4.120 -0.107 -0.133 0.271 85 V C -0.618 175.430 176.094 -0.078 0.000 1.030 85 V CA -0.264 61.998 62.300 -0.062 0.000 0.844 85 V CB -0.613 31.175 31.823 -0.058 0.000 1.015 85 V HN 0.662 8.874 8.190 0.036 0.000 0.460 86 E N 7.790 127.913 120.200 -0.129 0.000 2.076 86 E HA -0.283 4.020 4.350 -0.078 0.000 0.190 86 E C -1.087 175.440 176.600 -0.121 0.000 0.979 86 E CA 2.546 58.873 56.400 -0.122 0.000 0.807 86 E CB 1.285 30.884 29.700 -0.168 0.000 0.761 86 E HN 0.678 8.837 8.360 -0.172 0.098 0.454 87 N N -3.135 115.462 118.700 -0.171 0.000 2.225 87 N HA 0.232 4.929 4.740 -0.070 0.000 0.298 87 N C -2.291 173.145 175.510 -0.124 0.000 1.076 87 N CA -0.634 52.349 53.050 -0.111 0.000 0.792 87 N CB 3.289 41.738 38.487 -0.064 0.000 1.498 87 N HN -0.569 7.668 8.380 -0.239 0.000 0.474 88 L N 4.205 125.366 121.223 -0.105 0.000 2.388 88 L HA 0.486 4.806 4.340 -0.254 -0.132 0.267 88 L C -1.150 175.654 176.870 -0.109 0.000 0.995 88 L CA -0.355 54.370 54.840 -0.191 0.000 0.864 88 L CB 1.511 43.425 42.059 -0.242 0.000 1.216 88 L HN 0.408 8.599 8.230 -0.065 0.000 0.430 89 I N 7.502 128.025 120.570 -0.079 0.000 2.307 89 I HA 0.193 4.353 4.170 -0.018 0.000 0.289 89 I C -1.617 174.528 176.117 0.047 0.000 1.021 89 I CA -0.588 60.690 61.300 -0.038 0.000 1.224 89 I CB 0.223 38.119 38.000 -0.174 0.000 1.376 89 I HN 0.966 9.128 8.210 -0.080 0.000 0.470 90 L N 5.783 127.045 121.223 0.066 0.000 2.375 90 L HA 0.399 4.776 4.340 0.062 0.000 0.268 90 L C -0.595 176.387 176.870 0.187 0.000 1.058 90 L CA -1.661 53.229 54.840 0.083 0.000 0.803 90 L CB 1.857 43.934 42.059 0.031 0.000 1.212 90 L HN 0.412 8.670 8.230 0.047 0.000 0.451 91 H N 2.507 121.572 119.070 -0.010 0.000 2.582 91 H HA -0.003 4.609 4.556 0.094 0.000 0.345 91 H C -1.222 174.150 175.328 0.074 0.000 1.104 91 H CA 0.429 56.429 56.048 -0.081 0.000 1.390 91 H CB 1.771 31.279 29.762 -0.423 0.000 1.461 91 H HN -0.119 8.196 8.280 0.059 0.000 0.551 92 K N 5.644 126.035 120.400 -0.015 0.000 2.143 92 K HA 0.076 4.476 4.320 0.134 0.000 0.272 92 K C -1.452 175.242 176.600 0.157 0.000 1.001 92 K CA -0.346 55.993 56.287 0.087 0.000 0.915 92 K CB -0.095 32.443 32.500 0.063 0.000 1.047 92 K HN 0.172 8.240 8.250 -0.304 0.000 0.458 93 D N -4.680 115.824 120.400 0.173 0.000 2.914 93 D HA -0.388 4.316 4.640 0.107 0.000 0.226 93 D C -2.043 174.383 176.300 0.211 0.000 1.112 93 D CA 0.972 55.071 54.000 0.165 0.000 0.778 93 D CB -2.514 38.389 40.800 0.173 0.000 1.095 93 D HN 0.283 8.744 8.370 0.152 0.000 0.436 94 Y N -0.505 119.870 120.300 0.124 0.000 2.310 94 Y HA -0.002 4.763 4.550 0.099 -0.156 0.326 94 Y C -1.256 174.708 175.900 0.108 0.000 1.151 94 Y CA -0.363 57.801 58.100 0.107 0.000 1.195 94 Y CB 1.581 40.093 38.460 0.086 0.000 1.210 94 Y HN -0.508 7.942 8.280 0.284 0.000 0.483 95 S N 5.333 120.545 115.700 -0.813 0.000 2.536 95 S HA 0.263 4.415 4.470 -0.530 0.000 0.271 95 S C -2.078 172.128 174.600 -0.655 0.000 1.134 95 S CA -0.695 57.155 58.200 -0.583 0.000 0.897 95 S CB 3.663 66.745 63.200 -0.198 0.000 1.094 95 S HN -0.055 7.818 8.310 -0.728 0.000 0.473 96 A N 2.870 125.425 122.820 -0.442 0.000 2.380 96 A HA 0.646 4.967 4.320 -0.333 -0.201 0.315 96 A C 1.260 178.707 177.584 -0.229 0.000 1.101 96 A CA -1.380 50.495 52.037 -0.269 0.000 0.771 96 A CB 1.621 20.610 19.000 -0.017 0.000 1.287 96 A HN 0.186 8.134 8.150 -0.337 0.000 0.436 97 L N 1.313 122.241 121.223 -0.491 0.000 2.255 97 L HA -0.467 3.584 4.340 -0.482 0.000 0.236 97 L C 0.717 176.678 176.870 -1.515 0.000 1.129 97 L CA 2.253 56.644 54.840 -0.748 0.000 0.853 97 L CB -0.293 41.332 42.059 -0.722 0.000 0.942 97 L HN 0.565 8.530 8.230 -0.441 0.000 0.451 98 A N -4.389 117.402 122.820 -1.715 0.000 2.304 98 A HA 0.046 2.044 4.320 -3.870 0.000 0.271 98 A C -1.792 175.008 177.584 -1.306 0.000 1.091 98 A CA -0.609 50.151 52.037 -2.127 0.000 0.812 98 A CB 1.570 19.711 19.000 -1.432 0.000 1.056 98 A HN -0.331 7.111 8.150 -1.180 0.000 0.489 99 H N -0.029 118.555 119.070 -0.811 0.000 2.547 99 H HA 0.802 5.380 4.556 -0.319 -0.213 0.342 99 H C -0.478 174.676 175.328 -0.291 0.000 1.048 99 H CA -1.555 54.333 56.048 -0.266 0.000 1.204 99 H CB 2.098 31.970 29.762 0.183 0.000 1.493 99 H HN 0.116 7.789 8.280 -1.012 0.000 0.511 100 H N 3.379 122.450 119.070 0.003 0.000 2.499 100 H HA 0.261 4.888 4.556 0.117 0.000 0.340 100 H C 0.131 175.515 175.328 0.093 0.000 1.148 100 H CA -0.794 55.282 56.048 0.046 0.000 1.215 100 H CB 3.088 32.827 29.762 -0.039 0.000 1.529 100 H HN 0.657 8.764 8.280 -0.108 0.107 0.510 101 N N -1.201 117.594 118.700 0.159 0.000 2.699 101 N HA -0.371 4.215 4.740 -0.256 0.000 0.256 101 N C -1.293 174.086 175.510 -0.217 0.000 0.993 101 N CA 1.110 54.063 53.050 -0.161 0.000 0.759 101 N CB -0.765 37.616 38.487 -0.177 0.000 0.906 101 N HN 0.564 9.094 8.380 0.250 0.000 0.541 102 D N -1.299 119.026 120.400 -0.125 0.000 2.631 102 D HA 0.068 4.702 4.640 -0.009 0.000 0.227 102 D C -1.855 174.264 176.300 -0.302 0.000 1.146 102 D CA -0.434 53.520 54.000 -0.076 0.000 1.009 102 D CB -0.637 40.255 40.800 0.153 0.000 1.057 102 D HN 0.074 8.397 8.370 -0.084 -0.003 0.509 103 I N 0.564 120.864 120.570 -0.450 0.000 2.769 103 I HA 0.767 4.945 4.170 -0.267 -0.168 0.298 103 I C -2.851 173.133 176.117 -0.222 0.000 1.128 103 I CA -2.296 58.764 61.300 -0.399 0.000 1.031 103 I CB 3.991 41.569 38.000 -0.702 0.000 1.235 103 I HN -0.602 7.266 8.210 -0.491 0.047 0.423 104 A N 5.827 128.629 122.820 -0.029 0.000 2.587 104 A HA 0.938 5.505 4.320 0.201 -0.127 0.293 104 A C -2.418 175.223 177.584 0.094 0.000 1.087 104 A CA -1.595 50.486 52.037 0.074 0.000 0.692 104 A CB 4.097 23.093 19.000 -0.007 0.000 1.291 104 A HN 0.652 8.706 8.150 -0.029 0.079 0.407 105 L N -0.911 120.354 121.223 0.070 0.000 2.386 105 L HA 0.914 5.496 4.340 0.095 -0.186 0.271 105 L C -1.598 175.304 176.870 0.054 0.000 0.993 105 L CA -1.359 53.532 54.840 0.085 0.000 0.819 105 L CB 4.131 46.199 42.059 0.016 0.000 1.294 105 L HN 0.426 8.694 8.230 0.063 0.000 0.414 106 L N 1.502 122.761 121.223 0.061 0.000 2.381 106 L HA 0.746 5.187 4.340 -0.167 -0.201 0.274 106 L C -1.703 175.049 176.870 -0.197 0.000 0.988 106 L CA -0.918 53.845 54.840 -0.129 0.000 0.824 106 L CB 3.365 45.278 42.059 -0.243 0.000 1.263 106 L HN 0.940 9.251 8.230 0.134 0.000 0.410 107 K N 4.325 124.447 120.400 -0.464 0.000 2.183 107 K HA 0.863 4.678 4.320 -1.175 -0.200 0.274 107 K C -0.918 175.380 176.600 -0.502 0.000 1.009 107 K CA -1.518 54.204 56.287 -0.943 0.000 0.888 107 K CB 2.438 34.202 32.500 -1.226 0.000 1.078 107 K HN 0.680 8.615 8.250 -0.344 0.109 0.459 108 I N 0.981 121.271 120.570 -0.467 0.000 2.707 108 I HA 1.072 5.329 4.170 -0.191 -0.201 0.309 108 I C -1.218 174.794 176.117 -0.174 0.000 1.001 108 I CA -2.696 58.427 61.300 -0.296 0.000 1.129 108 I CB 3.149 40.865 38.000 -0.472 0.000 1.308 108 I HN 0.463 8.333 8.210 -0.566 0.000 0.466 109 R N 2.402 122.932 120.500 0.049 0.000 2.707 109 R HA 0.446 4.855 4.340 0.115 0.000 0.272 109 R C -0.287 176.150 176.300 0.227 0.000 1.011 109 R CA -1.642 54.527 56.100 0.115 0.000 0.893 109 R CB 4.149 34.444 30.300 -0.008 0.000 1.233 109 R HN 0.143 8.474 8.270 0.101 0.000 0.464 110 R N 0.529 121.052 120.500 0.038 0.000 2.316 110 R HA -0.320 4.040 4.340 0.034 0.000 0.318 110 R C -0.842 175.544 176.300 0.144 0.000 0.981 110 R CA 1.394 57.532 56.100 0.063 0.000 1.054 110 R CB -0.294 30.040 30.300 0.057 0.000 0.826 110 R HN 0.368 8.657 8.270 0.032 0.000 0.429 111 c N -1.519 117.145 118.600 0.107 0.000 2.589 111 c HA 0.104 4.706 4.570 0.054 0.000 0.409 111 c C 0.403 174.596 174.090 0.172 0.000 1.851 111 c CA -1.511 54.856 56.329 0.062 0.000 1.823 111 c CB 1.492 43.962 42.510 -0.067 0.000 1.985 111 c HN 0.119 8.388 8.230 0.065 0.000 0.472 112 A N 0.240 123.056 122.820 -0.007 0.000 2.466 112 A HA -0.122 4.439 4.320 0.401 0.000 0.238 112 A C -0.857 176.800 177.584 0.122 0.000 1.074 112 A CA 0.770 52.881 52.037 0.123 0.000 0.774 112 A CB 0.671 19.656 19.000 -0.025 0.000 1.015 112 A HN 0.262 8.206 8.150 -0.198 0.087 0.498 113 Q N 0.221 120.109 119.800 0.146 0.000 2.365 113 Q HA 0.378 4.765 4.340 0.079 0.000 0.269 113 Q C -2.569 173.485 176.000 0.090 0.000 1.061 113 Q CA -3.337 52.524 55.803 0.097 0.000 0.816 113 Q CB 1.101 29.890 28.738 0.085 0.000 1.325 113 Q HN 0.135 8.522 8.270 0.195 0.000 0.446 114 P HA 0.087 4.713 4.420 0.081 -0.157 0.276 114 P C -1.247 176.091 177.300 0.063 0.000 1.235 114 P CA -0.440 62.703 63.100 0.071 0.000 0.772 114 P CB 0.768 32.506 31.700 0.064 0.000 0.871 115 S N 5.648 121.385 115.700 0.062 0.000 2.840 115 S HA 0.420 4.916 4.470 0.043 0.000 0.307 115 S C -0.071 174.552 174.600 0.039 0.000 1.180 115 S CA -1.616 56.614 58.200 0.049 0.000 0.846 115 S CB 2.146 65.378 63.200 0.054 0.000 1.233 115 S HN 0.208 8.559 8.310 0.068 0.000 0.548 116 R N -3.137 117.379 120.500 0.028 0.000 2.313 116 R HA 0.068 4.416 4.340 0.014 0.000 0.199 116 R C -0.044 176.255 176.300 -0.001 0.000 0.958 116 R CA 1.813 57.921 56.100 0.013 0.000 1.047 116 R CB -0.195 30.110 30.300 0.009 0.000 0.955 116 R HN 0.468 8.755 8.270 0.028 0.000 0.481 117 T N -3.663 110.899 114.554 0.014 0.000 3.040 117 T HA 0.131 4.463 4.350 -0.029 0.000 0.266 117 T C -0.653 174.062 174.700 0.024 0.000 1.005 117 T CA -0.083 62.021 62.100 0.007 0.000 0.906 117 T CB 1.556 70.444 68.868 0.034 0.000 1.082 117 T HN -0.312 7.880 8.240 0.031 0.066 0.531 118 I N 2.065 122.663 120.570 0.047 0.000 2.468 118 I HA 0.512 4.949 4.170 0.079 -0.219 0.285 118 I C -2.505 173.666 176.117 0.090 0.000 1.039 118 I CA -0.922 60.426 61.300 0.080 0.000 1.074 118 I CB 2.111 40.179 38.000 0.113 0.000 1.228 118 I HN -0.518 7.595 8.210 0.046 0.125 0.436 119 Q N 7.638 127.513 119.800 0.125 0.000 2.565 119 Q HA 0.428 4.860 4.340 0.153 0.000 0.294 119 Q C -2.363 173.817 176.000 0.301 0.000 1.005 119 Q CA -1.635 54.285 55.803 0.196 0.000 0.771 119 Q CB 4.776 33.646 28.738 0.221 0.000 1.486 119 Q HN 0.384 8.626 8.270 0.124 0.103 0.422 120 T N -1.253 113.463 114.554 0.270 0.000 2.912 120 T HA 0.395 5.003 4.350 0.239 -0.114 0.280 120 T C -0.905 173.909 174.700 0.190 0.000 0.989 120 T CA -2.272 59.959 62.100 0.219 0.000 0.995 120 T CB 1.537 70.470 68.868 0.109 0.000 1.077 120 T HN 0.042 8.412 8.240 0.217 0.000 0.531 121 I N -0.543 120.008 120.570 -0.031 0.000 2.797 121 I HA 0.306 4.118 4.170 -0.598 0.000 0.307 121 I C -1.536 174.440 176.117 -0.236 0.000 1.033 121 I CA -2.184 58.857 61.300 -0.433 0.000 1.071 121 I CB 3.804 41.318 38.000 -0.809 0.000 1.255 121 I HN -0.060 8.155 8.210 0.007 0.000 0.445 122 C N 5.717 124.861 119.300 -0.261 0.000 2.459 122 C HA 0.240 4.642 4.460 -0.098 0.000 0.374 122 C C -0.905 174.010 174.990 -0.126 0.000 1.241 122 C CA -0.063 58.868 59.018 -0.145 0.000 2.352 122 C CB 0.731 28.398 27.740 -0.122 0.000 2.490 122 C HN -0.081 7.927 8.230 -0.370 0.000 0.583 123 L N 1.442 122.618 121.223 -0.079 0.000 2.360 123 L HA 0.354 4.656 4.340 -0.063 0.000 0.271 123 L C -0.660 176.181 176.870 -0.048 0.000 1.057 123 L CA -2.242 52.564 54.840 -0.058 0.000 0.803 123 L CB 0.311 42.346 42.059 -0.039 0.000 1.207 123 L HN 0.234 8.425 8.230 -0.065 0.000 0.445 124 P HA 0.109 4.511 4.420 -0.030 0.000 0.277 124 P C -1.233 176.052 177.300 -0.024 0.000 1.271 124 P CA -0.898 62.187 63.100 -0.025 0.000 0.795 124 P CB 0.915 32.610 31.700 -0.008 0.000 1.101 125 S N -1.904 113.787 115.700 -0.015 0.000 2.693 125 S HA 0.090 4.548 4.470 -0.020 0.000 0.276 125 S C 0.633 175.218 174.600 -0.024 0.000 1.192 125 S CA -1.103 57.089 58.200 -0.013 0.000 0.994 125 S CB 1.281 64.483 63.200 0.002 0.000 1.012 125 S HN 0.120 8.425 8.310 -0.007 0.000 0.550 126 M N 1.544 121.131 119.600 -0.022 0.000 2.323 126 M HA -0.443 3.885 4.480 -0.253 0.000 0.386 126 M C -0.492 175.845 176.300 0.062 0.000 1.525 126 M CA 1.319 56.591 55.300 -0.048 0.000 0.914 126 M CB -1.509 31.158 32.600 0.112 0.000 2.042 126 M HN 0.234 8.521 8.290 -0.005 0.000 0.483 127 Y N -2.609 117.632 120.300 -0.099 0.000 3.220 127 Y HA -0.494 4.025 4.550 -0.181 -0.077 0.214 127 Y C -1.105 174.799 175.900 0.006 0.000 1.166 127 Y CA 1.148 59.155 58.100 -0.155 0.000 1.264 127 Y CB -2.962 35.311 38.460 -0.312 0.000 1.324 127 Y HN 0.067 7.861 8.280 -0.810 0.000 0.586 128 N N -0.173 118.590 118.700 0.104 0.000 2.424 128 N HA 0.079 4.882 4.740 0.105 0.000 0.271 128 N C -1.578 173.984 175.510 0.086 0.000 0.985 128 N CA -0.538 52.566 53.050 0.090 0.000 0.921 128 N CB 1.603 40.118 38.487 0.048 0.000 1.149 128 N HN -0.505 7.875 8.380 0.042 0.025 0.492 129 D N 5.313 125.769 120.400 0.094 0.000 2.490 129 D HA 0.354 5.026 4.640 0.052 0.000 0.232 129 D C -2.201 174.117 176.300 0.031 0.000 1.053 129 D CA -1.815 52.228 54.000 0.072 0.000 0.914 129 D CB 2.180 43.050 40.800 0.117 0.000 1.431 129 D HN -0.109 8.321 8.370 0.101 0.000 0.483 130 P HA 0.024 4.420 4.420 -0.040 0.000 0.273 130 P C -1.877 175.399 177.300 -0.040 0.000 1.250 130 P CA -0.000 63.079 63.100 -0.034 0.000 0.793 130 P CB 1.069 32.737 31.700 -0.053 0.000 1.011 131 Q N -0.163 119.570 119.800 -0.112 0.000 2.221 131 Q HA 0.161 4.456 4.340 -0.074 0.000 0.242 131 Q C 0.376 176.231 176.000 -0.242 0.000 0.940 131 Q CA -1.074 54.602 55.803 -0.212 0.000 0.896 131 Q CB 2.250 30.752 28.738 -0.394 0.000 1.226 131 Q HN 0.264 8.457 8.270 -0.127 0.000 0.463 132 F N -0.580 119.350 119.950 -0.033 0.000 2.595 132 F HA -0.523 4.023 4.527 -0.071 -0.062 0.359 132 F C 0.536 176.305 175.800 -0.051 0.000 1.147 132 F CA 0.278 58.245 58.000 -0.055 0.000 1.341 132 F CB -0.181 38.784 39.000 -0.058 0.000 1.104 132 F HN 0.138 8.371 8.300 -0.113 0.000 0.603 133 G N 2.666 111.491 108.800 0.042 0.000 2.397 133 G HA2 -0.372 3.599 3.960 0.020 0.000 0.211 133 G HA3 -0.372 3.537 3.960 -0.084 0.000 0.211 133 G C -0.657 174.203 174.900 -0.067 0.000 1.077 133 G CA 0.022 45.106 45.100 -0.026 0.000 0.649 133 G HN 0.771 9.000 8.290 0.083 0.110 0.511 134 T N 5.683 120.180 114.554 -0.096 0.000 2.923 134 T HA -0.341 3.958 4.350 -0.085 0.000 0.304 134 T C -0.717 173.938 174.700 -0.075 0.000 1.044 134 T CA 2.453 64.502 62.100 -0.086 0.000 1.141 134 T CB 0.308 69.122 68.868 -0.090 0.000 1.023 134 T HN -0.507 7.573 8.240 -0.129 0.082 0.533 135 S N 5.251 120.910 115.700 -0.069 0.000 2.525 135 S HA 0.559 5.148 4.470 -0.075 -0.164 0.278 135 S C -0.618 173.940 174.600 -0.070 0.000 1.234 135 S CA 0.032 58.191 58.200 -0.068 0.000 1.058 135 S CB 0.921 64.087 63.200 -0.056 0.000 0.983 135 S HN 0.127 8.398 8.310 -0.064 0.000 0.495 136 c N 2.930 121.480 118.600 -0.083 0.000 2.971 136 c HA 0.584 5.182 4.570 -0.066 -0.067 0.310 136 c C -1.539 172.508 174.090 -0.072 0.000 1.285 136 c CA -1.540 54.738 56.329 -0.086 0.000 1.593 136 c CB 4.404 46.833 42.510 -0.135 0.000 2.076 136 c HN 0.993 9.169 8.230 -0.090 0.000 0.472 137 E N -0.721 119.453 120.200 -0.044 0.000 2.244 137 E HA 1.099 5.592 4.350 -0.035 -0.163 0.266 137 E C -1.082 175.514 176.600 -0.007 0.000 0.914 137 E CA -2.464 53.923 56.400 -0.021 0.000 0.794 137 E CB 2.952 32.658 29.700 0.011 0.000 1.210 137 E HN 0.652 8.990 8.360 -0.036 0.000 0.414 138 I N -5.631 114.939 120.570 0.000 0.000 2.785 138 I HA 1.114 5.561 4.170 0.069 -0.235 0.302 138 I C -1.320 174.792 176.117 -0.010 0.000 1.069 138 I CA -2.476 58.847 61.300 0.039 0.000 1.045 138 I CB 3.715 41.768 38.000 0.089 0.000 1.236 138 I HN 0.266 8.467 8.210 -0.015 0.000 0.429 139 T N 1.647 116.188 114.554 -0.022 0.000 2.900 139 T HA 0.756 5.125 4.350 -0.227 -0.156 0.303 139 T C -1.324 173.184 174.700 -0.321 0.000 1.142 139 T CA -2.050 59.922 62.100 -0.213 0.000 1.007 139 T CB 2.347 71.065 68.868 -0.251 0.000 1.156 139 T HN -0.198 8.077 8.240 0.059 0.000 0.490 140 G N 3.262 111.721 108.800 -0.568 0.000 2.321 140 G HA2 0.199 3.665 3.960 -0.824 0.000 0.298 140 G HA3 0.199 4.218 3.960 -0.145 -0.145 0.298 140 G C -2.372 172.225 174.900 -0.504 0.000 1.385 140 G CA 0.585 45.380 45.100 -0.509 0.000 0.856 140 G HN 0.131 8.065 8.290 -0.594 0.000 0.584 141 F N 0.145 119.994 119.950 -0.168 0.000 2.684 141 F HA 0.360 4.784 4.527 -0.171 0.000 0.298 141 F C 0.590 176.218 175.800 -0.286 0.000 1.120 141 F CA -1.544 56.305 58.000 -0.252 0.000 1.332 141 F CB 0.211 38.906 39.000 -0.508 0.000 0.986 141 F HN 0.523 8.836 8.300 0.023 0.000 0.524 142 G N -0.041 108.732 108.800 -0.045 0.000 2.621 142 G HA2 0.079 3.797 3.960 -0.402 0.000 0.271 142 G HA3 0.079 4.324 3.960 0.001 -0.285 0.271 142 G C -1.034 173.950 174.900 0.141 0.000 1.236 142 G CA -0.551 44.509 45.100 -0.066 0.000 0.958 142 G HN -0.471 7.949 8.290 -0.029 -0.147 0.512 143 K N -0.887 119.688 120.400 0.291 0.000 2.542 143 K HA -0.331 4.180 4.320 0.317 0.000 0.276 143 K C -0.576 176.107 176.600 0.139 0.000 0.963 143 K CA 1.817 58.262 56.287 0.263 0.000 0.975 143 K CB 0.340 32.975 32.500 0.225 0.000 0.901 143 K HN -0.042 8.407 8.250 0.332 0.000 0.506 144 E N -1.723 118.543 120.200 0.111 0.000 2.460 144 E HA 0.248 4.903 4.350 0.039 -0.282 0.200 144 E C -0.530 176.100 176.600 0.051 0.000 1.011 144 E CA 0.547 56.984 56.400 0.061 0.000 0.912 144 E CB 1.554 31.291 29.700 0.061 0.000 0.953 144 E HN -0.198 8.372 8.360 0.119 -0.139 0.494 145 A N -2.804 120.054 122.820 0.063 0.000 2.540 145 A HA 0.376 4.726 4.320 0.050 0.000 0.297 145 A C -0.897 176.728 177.584 0.068 0.000 1.056 145 A CA -0.592 51.478 52.037 0.055 0.000 0.700 145 A CB 1.863 20.890 19.000 0.046 0.000 1.280 145 A HN -0.677 7.547 8.150 0.078 -0.027 0.398 146 S N 2.135 117.875 115.700 0.066 0.000 2.469 146 S HA -0.305 4.219 4.470 0.089 0.000 0.238 146 S C 1.081 175.726 174.600 0.075 0.000 0.998 146 S CA 3.017 61.262 58.200 0.074 0.000 0.957 146 S CB 0.092 63.330 63.200 0.063 0.000 0.764 146 S HN 0.668 9.013 8.310 0.058 0.000 0.514 147 T N -4.780 109.815 114.554 0.069 0.000 3.100 147 T HA -0.065 4.334 4.350 0.081 0.000 0.253 147 T C -0.233 174.533 174.700 0.110 0.000 1.118 147 T CA -0.227 61.922 62.100 0.081 0.000 1.058 147 T CB -0.344 68.565 68.868 0.068 0.000 0.953 147 T HN -0.382 7.855 8.240 0.061 0.039 0.515 148 D N 2.258 122.704 120.400 0.077 0.000 2.362 148 D HA 0.008 4.663 4.640 0.026 0.000 0.242 148 D C -0.199 176.133 176.300 0.055 0.000 1.132 148 D CA 0.536 54.550 54.000 0.024 0.000 0.907 148 D CB 1.232 42.017 40.800 -0.026 0.000 1.195 148 D HN -0.331 7.900 8.370 0.069 0.181 0.429 149 Y N -4.050 116.230 120.300 -0.033 0.000 2.588 149 Y HA 0.254 4.757 4.550 -0.079 0.000 0.247 149 Y C -1.863 173.940 175.900 -0.162 0.000 1.157 149 Y CA -0.636 57.417 58.100 -0.078 0.000 1.215 149 Y CB 0.421 38.851 38.460 -0.051 0.000 1.245 149 Y HN -0.039 7.945 8.280 -0.494 0.000 0.534 150 L N -1.275 119.661 121.223 -0.478 0.000 2.327 150 L HA 0.224 4.304 4.340 -0.434 0.000 0.258 150 L C -0.929 175.786 176.870 -0.260 0.000 1.024 150 L CA -1.433 53.152 54.840 -0.425 0.000 0.825 150 L CB 3.179 45.011 42.059 -0.377 0.000 1.386 150 L HN -0.849 7.042 8.230 -0.458 0.065 0.417 151 Y N -0.990 119.289 120.300 -0.034 0.000 2.457 151 Y HA 0.384 4.952 4.550 0.029 0.000 0.333 151 Y C -1.625 174.272 175.900 -0.004 0.000 1.119 151 Y CA -3.356 54.748 58.100 0.007 0.000 1.143 151 Y CB 0.208 38.679 38.460 0.018 0.000 1.230 151 Y HN 0.060 8.257 8.280 -0.139 0.000 0.469 152 P HA 0.017 4.513 4.420 0.128 0.000 0.272 152 P C -1.424 175.949 177.300 0.122 0.000 1.230 152 P CA -0.588 62.624 63.100 0.187 0.000 0.788 152 P CB 1.284 33.163 31.700 0.298 0.000 0.949 153 E N -1.947 118.287 120.200 0.056 0.000 2.340 153 E HA -0.040 4.231 4.350 -0.133 0.000 0.194 153 E C -0.111 176.520 176.600 0.051 0.000 0.996 153 E CA 1.250 57.627 56.400 -0.038 0.000 0.869 153 E CB 0.605 30.264 29.700 -0.068 0.000 0.835 153 E HN 0.410 8.799 8.360 0.049 0.000 0.493 154 Q N -0.877 119.008 119.800 0.142 0.000 2.235 154 Q HA 0.259 4.863 4.340 0.229 -0.126 0.256 154 Q C -0.285 175.970 176.000 0.425 0.000 0.951 154 Q CA -1.138 54.797 55.803 0.220 0.000 0.890 154 Q CB 1.632 30.328 28.738 -0.071 0.000 1.279 154 Q HN -0.513 7.796 8.270 0.114 0.029 0.444 155 L N 5.708 127.091 121.223 0.266 0.000 2.439 155 L HA 0.053 3.923 4.340 -0.784 0.000 0.269 155 L C -1.371 175.418 176.870 -0.135 0.000 1.179 155 L CA 0.455 55.089 54.840 -0.342 0.000 0.828 155 L CB 1.190 42.905 42.059 -0.574 0.000 1.106 155 L HN 0.045 8.439 8.230 0.274 0.000 0.467 156 K N 3.091 123.317 120.400 -0.289 0.000 2.400 156 K HA 0.862 5.236 4.320 -0.170 -0.156 0.246 156 K C -1.613 174.826 176.600 -0.268 0.000 0.995 156 K CA -1.799 54.351 56.287 -0.227 0.000 0.840 156 K CB 4.021 36.380 32.500 -0.236 0.000 1.293 156 K HN -0.040 7.919 8.250 -0.485 0.000 0.445 157 M N 0.112 119.589 119.600 -0.205 0.000 2.569 157 M HA 0.911 5.481 4.480 -0.159 -0.186 0.279 157 M C -2.396 173.831 176.300 -0.122 0.000 1.253 157 M CA -0.550 54.656 55.300 -0.157 0.000 0.867 157 M CB 4.890 37.407 32.600 -0.138 0.000 1.727 157 M HN 0.495 8.662 8.290 -0.205 0.000 0.467 158 T N 1.253 115.756 114.554 -0.084 0.000 2.739 158 T HA 0.430 4.735 4.350 -0.076 0.000 0.303 158 T C -2.393 172.278 174.700 -0.049 0.000 1.389 158 T CA -1.151 60.908 62.100 -0.069 0.000 1.001 158 T CB 2.704 71.533 68.868 -0.066 0.000 1.436 158 T HN 0.170 8.368 8.240 -0.070 0.000 0.500 159 V N 2.741 122.626 119.914 -0.048 0.000 2.604 159 V HA 0.801 5.071 4.120 -0.047 -0.178 0.305 159 V C -1.528 174.533 176.094 -0.055 0.000 1.043 159 V CA -0.919 61.351 62.300 -0.049 0.000 0.888 159 V CB 2.736 34.531 31.823 -0.047 0.000 0.995 159 V HN 0.357 8.516 8.190 -0.051 0.000 0.429 160 V N 5.747 125.622 119.914 -0.065 0.000 3.141 160 V HA 0.395 4.466 4.120 -0.082 0.000 0.312 160 V C -2.480 173.557 176.094 -0.095 0.000 1.157 160 V CA -2.670 59.585 62.300 -0.076 0.000 1.041 160 V CB 5.151 36.946 31.823 -0.047 0.000 1.071 160 V HN 0.999 9.147 8.190 -0.070 0.000 0.441 161 K N 1.431 121.768 120.400 -0.104 0.000 2.267 161 K HA 0.722 5.170 4.320 -0.088 -0.181 0.246 161 K C -0.971 175.578 176.600 -0.085 0.000 0.954 161 K CA -2.358 53.874 56.287 -0.093 0.000 0.824 161 K CB 3.736 36.183 32.500 -0.087 0.000 1.167 161 K HN 0.384 8.450 8.250 -0.118 0.113 0.431 162 L N 0.402 121.586 121.223 -0.066 0.000 2.371 162 L HA 0.292 4.728 4.340 -0.073 -0.141 0.272 162 L C 0.217 177.092 176.870 0.009 0.000 1.124 162 L CA -0.171 54.641 54.840 -0.047 0.000 0.816 162 L CB 0.458 42.496 42.059 -0.035 0.000 1.129 162 L HN 0.087 8.279 8.230 -0.064 0.000 0.448 163 I N -3.522 117.039 120.570 -0.014 0.000 3.067 163 I HA 0.471 4.663 4.170 0.037 0.000 0.312 163 I C -1.210 174.852 176.117 -0.091 0.000 1.073 163 I CA -1.963 59.325 61.300 -0.022 0.000 1.016 163 I CB 2.859 40.834 38.000 -0.042 0.000 1.227 163 I HN 0.113 8.297 8.210 -0.042 0.000 0.456 164 S N -0.935 114.645 115.700 -0.199 0.000 2.624 164 S HA 0.051 4.404 4.470 -0.195 0.000 0.263 164 S C 0.955 175.395 174.600 -0.266 0.000 1.287 164 S CA -0.447 57.591 58.200 -0.271 0.000 0.990 164 S CB 1.388 64.315 63.200 -0.455 0.000 0.950 164 S HN 0.350 8.516 8.310 -0.240 0.000 0.561 165 H N 2.240 121.269 119.070 -0.068 0.000 2.403 165 H HA -0.121 4.431 4.556 -0.007 0.000 0.298 165 H C 2.285 177.565 175.328 -0.080 0.000 1.059 165 H CA 4.339 60.367 56.048 -0.033 0.000 1.363 165 H CB -0.182 29.581 29.762 0.002 0.000 1.410 165 H HN 0.684 8.957 8.280 -0.012 0.000 0.528 166 R N -0.385 120.117 120.500 0.002 0.000 2.113 166 R HA -0.361 3.963 4.340 -0.028 0.000 0.244 166 R C 1.683 177.883 176.300 -0.167 0.000 1.142 166 R CA 3.334 59.392 56.100 -0.072 0.000 0.953 166 R CB -0.742 29.493 30.300 -0.108 0.000 0.860 166 R HN 0.358 8.640 8.270 0.028 0.005 0.438 167 E N -2.304 117.747 120.200 -0.248 0.000 2.107 167 E HA -0.247 3.856 4.350 -0.411 0.000 0.191 167 E C 1.994 178.210 176.600 -0.640 0.000 0.982 167 E CA 2.554 58.703 56.400 -0.420 0.000 0.809 167 E CB -0.054 29.425 29.700 -0.370 0.000 0.756 167 E HN -0.638 7.503 8.360 -0.236 0.078 0.459 168 c N -1.274 117.123 118.600 -0.338 0.000 2.468 168 c HA -0.165 4.284 4.570 -0.201 0.000 0.277 168 c C -0.473 173.603 174.090 -0.022 0.000 1.400 168 c CA 1.018 57.257 56.329 -0.150 0.000 1.770 168 c CB -0.974 41.566 42.510 0.050 0.000 1.905 168 c HN -0.287 7.728 8.230 -0.222 0.081 0.519 169 Q N -0.227 119.551 119.800 -0.036 0.000 2.566 169 Q HA 0.253 4.855 4.340 0.136 -0.180 0.221 169 Q C 0.396 176.388 176.000 -0.012 0.000 1.195 169 Q CA -1.200 54.633 55.803 0.050 0.000 0.967 169 Q CB -1.502 27.280 28.738 0.074 0.000 1.337 169 Q HN 0.119 8.215 8.270 -0.080 0.126 0.553 170 H N 0.652 119.790 119.070 0.114 0.000 2.480 170 H HA -0.409 4.167 4.556 0.032 0.000 0.342 170 H C -0.636 174.717 175.328 0.042 0.000 0.895 170 H CA 1.660 57.750 56.048 0.071 0.000 1.149 170 H CB -1.215 28.574 29.762 0.044 0.000 1.467 170 H HN 0.386 8.876 8.280 0.351 0.000 0.369 171 Y N -2.017 118.049 120.300 -0.389 0.000 2.844 171 Y HA -0.022 4.437 4.550 -0.543 -0.234 0.130 171 Y C -0.023 175.649 175.900 -0.381 0.000 0.874 171 Y CA 0.056 57.860 58.100 -0.493 0.000 1.804 171 Y CB 1.687 39.889 38.460 -0.430 0.000 1.191 171 Y HN -0.496 7.780 8.280 -0.007 0.000 0.336 172 Y N -5.378 115.048 120.300 0.209 0.000 2.527 172 Y HA 0.071 4.724 4.550 0.173 0.000 0.247 172 Y C -0.031 175.963 175.900 0.156 0.000 1.138 172 Y CA -0.770 57.447 58.100 0.196 0.000 1.228 172 Y CB 1.625 40.262 38.460 0.295 0.000 1.252 172 Y HN -0.168 8.233 8.280 0.202 0.000 0.531 173 G N 0.323 109.266 108.800 0.239 0.000 2.564 173 G HA2 -0.436 3.729 3.960 0.121 0.000 0.273 173 G HA3 -0.436 3.613 3.960 0.149 0.000 0.273 173 G C -0.027 174.978 174.900 0.175 0.000 1.242 173 G CA 0.693 45.891 45.100 0.164 0.000 0.951 173 G HN -0.719 7.684 8.290 0.189 0.000 0.564 174 S N 1.944 117.724 115.700 0.135 0.000 2.768 174 S HA 0.006 4.558 4.470 0.137 0.000 0.246 174 S C -0.366 174.323 174.600 0.148 0.000 1.006 174 S CA 0.550 58.826 58.200 0.127 0.000 1.075 174 S CB -1.212 62.037 63.200 0.081 0.000 0.786 174 S HN 0.175 8.551 8.310 0.110 0.000 0.468 175 E N 0.295 120.609 120.200 0.190 0.000 2.385 175 E HA 0.015 4.428 4.350 0.105 0.000 0.194 175 E C -0.790 175.971 176.600 0.269 0.000 1.013 175 E CA 0.370 56.863 56.400 0.156 0.000 0.866 175 E CB 0.524 30.278 29.700 0.090 0.000 0.832 175 E HN -0.516 7.862 8.360 0.231 0.121 0.500 176 V N 0.304 120.414 119.914 0.326 0.000 2.427 176 V HA 0.078 4.437 4.120 0.398 0.000 0.286 176 V C -0.711 175.535 176.094 0.254 0.000 1.034 176 V CA -0.322 62.181 62.300 0.339 0.000 0.893 176 V CB 0.957 32.980 31.823 0.333 0.000 0.982 176 V HN -0.911 7.411 8.190 0.299 0.048 0.452 177 T N 2.388 117.085 114.554 0.238 0.000 2.905 177 T HA 0.419 4.841 4.350 0.120 0.000 0.283 177 T C 0.666 175.415 174.700 0.081 0.000 1.031 177 T CA -2.240 59.953 62.100 0.155 0.000 1.002 177 T CB 2.403 71.384 68.868 0.187 0.000 1.200 177 T HN -0.251 8.147 8.240 0.262 0.000 0.560 178 T N -5.053 109.483 114.554 -0.031 0.000 3.051 178 T HA -0.230 3.844 4.350 -0.461 0.000 0.269 178 T C 0.757 175.370 174.700 -0.146 0.000 1.127 178 T CA 2.248 64.239 62.100 -0.181 0.000 1.107 178 T CB -0.487 68.319 68.868 -0.104 0.000 0.898 178 T HN 0.237 8.473 8.240 -0.006 0.000 0.517 179 K N 0.047 120.439 120.400 -0.012 0.000 2.410 179 K HA 0.134 4.333 4.320 -0.203 0.000 0.200 179 K C -1.378 175.301 176.600 0.132 0.000 1.023 179 K CA -0.408 55.880 56.287 0.002 0.000 1.149 179 K CB -0.102 32.461 32.500 0.106 0.000 0.859 179 K HN -0.650 7.553 8.250 0.058 0.082 0.514 180 M N -2.004 117.679 119.600 0.138 0.000 2.690 180 M HA 0.733 5.470 4.480 0.173 -0.153 0.302 180 M C -1.973 174.449 176.300 0.204 0.000 1.234 180 M CA -0.909 54.498 55.300 0.179 0.000 0.853 180 M CB 5.580 38.296 32.600 0.193 0.000 1.748 180 M HN -0.324 7.857 8.290 0.121 0.182 0.469 181 L N -3.474 117.831 121.223 0.136 0.000 2.409 181 L HA 0.518 4.823 4.340 -0.058 0.000 0.262 181 L C -1.933 174.983 176.870 0.076 0.000 0.992 181 L CA -1.300 53.570 54.840 0.050 0.000 0.817 181 L CB 4.854 46.934 42.059 0.033 0.000 1.350 181 L HN 0.093 8.405 8.230 0.137 0.000 0.411 182 c N 0.504 119.105 118.600 0.002 0.000 2.456 182 c HA 1.018 5.884 4.570 0.159 -0.201 0.325 182 c C -1.283 172.850 174.090 0.071 0.000 1.217 182 c CA -1.254 55.127 56.329 0.086 0.000 1.687 182 c CB 2.482 45.031 42.510 0.065 0.000 2.270 182 c HN 0.871 9.031 8.230 -0.117 0.000 0.499 183 A N 2.489 125.403 122.820 0.157 0.000 2.398 183 A HA 1.118 5.577 4.320 -0.026 -0.154 0.301 183 A C -2.491 175.133 177.584 0.067 0.000 1.041 183 A CA -1.179 50.880 52.037 0.037 0.000 0.711 183 A CB 3.425 22.355 19.000 -0.116 0.000 1.240 183 A HN 0.531 8.853 8.150 0.286 0.000 0.420 184 A N 1.807 124.594 122.820 -0.055 0.000 4.015 184 A HA 0.397 4.700 4.320 -0.028 0.000 0.233 184 A C -0.487 176.935 177.584 -0.270 0.000 0.909 184 A CA -0.404 51.536 52.037 -0.162 0.000 0.683 184 A CB 2.244 20.994 19.000 -0.417 0.000 1.540 184 A HN 0.722 8.817 8.150 -0.092 0.000 0.809 185 Q N -0.464 119.188 119.800 -0.247 0.000 2.065 185 Q HA -0.431 3.915 4.340 0.010 0.000 0.304 185 Q C -0.648 175.396 176.000 0.072 0.000 1.022 185 Q CA 0.645 56.413 55.803 -0.059 0.000 1.010 185 Q CB -1.884 26.850 28.738 -0.006 0.000 1.344 185 Q HN 0.542 8.686 8.270 -0.211 0.000 0.543 186 W N -7.751 113.545 121.300 -0.007 0.000 7.375 186 W HA -0.333 4.320 4.660 -0.012 0.000 0.411 186 W C -0.929 175.582 176.519 -0.013 0.000 1.571 186 W CA 0.135 57.471 57.345 -0.014 0.000 1.190 186 W CB -2.815 26.628 29.460 -0.029 0.000 2.764 186 W HN 0.002 7.798 8.180 -0.640 0.000 1.663 187 K N -3.661 116.811 120.400 0.120 0.000 2.262 187 K HA 0.166 4.542 4.320 0.093 0.000 0.200 187 K C 0.562 177.193 176.600 0.053 0.000 1.058 187 K CA 0.409 56.742 56.287 0.076 0.000 0.974 187 K CB 1.531 34.051 32.500 0.033 0.000 0.910 187 K HN -0.352 8.221 8.250 0.048 -0.294 0.484 188 T N -2.044 112.529 114.554 0.032 0.000 2.950 188 T HA 0.361 4.793 4.350 0.018 -0.071 0.288 188 T C -1.466 173.261 174.700 0.045 0.000 1.035 188 T CA -1.495 60.616 62.100 0.018 0.000 1.028 188 T CB 1.832 70.690 68.868 -0.017 0.000 1.109 188 T HN -0.463 7.787 8.240 0.017 0.000 0.514 189 D N 2.234 122.662 120.400 0.046 0.000 2.890 189 D HA 0.158 4.851 4.640 0.088 0.000 0.306 189 D C -2.100 174.241 176.300 0.068 0.000 1.280 189 D CA -0.514 53.534 54.000 0.079 0.000 0.742 189 D CB 2.043 42.910 40.800 0.110 0.000 1.266 189 D HN -0.071 8.315 8.370 0.025 0.000 0.433 190 S N -1.663 114.089 115.700 0.086 0.000 2.669 190 S HA 0.206 4.792 4.470 0.057 -0.081 0.270 190 S C -1.551 173.082 174.600 0.055 0.000 1.225 190 S CA -0.202 58.038 58.200 0.066 0.000 0.991 190 S CB 1.529 64.771 63.200 0.069 0.000 0.987 190 S HN 0.287 8.661 8.310 0.108 0.000 0.552 191 c N -1.982 116.654 118.600 0.060 0.000 3.292 191 c HA 0.175 4.790 4.570 0.074 0.000 0.369 191 c C -1.313 172.838 174.090 0.101 0.000 1.664 191 c CA -0.853 55.525 56.329 0.081 0.000 1.204 191 c CB 2.987 45.552 42.510 0.092 0.000 1.978 191 c HN 0.380 8.920 8.230 0.060 -0.274 0.435 192 Q N 1.938 121.818 119.800 0.134 0.000 2.286 192 Q HA -0.266 4.164 4.340 0.150 0.000 0.290 192 Q C 0.909 177.039 176.000 0.217 0.000 1.049 192 Q CA 2.041 57.950 55.803 0.177 0.000 0.923 192 Q CB 0.618 29.470 28.738 0.191 0.000 1.183 192 Q HN 0.539 8.886 8.270 0.128 0.000 0.383 193 G N 6.005 114.898 108.800 0.155 0.000 2.232 193 G HA2 -0.350 3.599 3.960 -0.019 0.000 0.226 193 G HA3 -0.350 3.396 3.960 -0.357 0.000 0.226 193 G C 0.508 175.427 174.900 0.031 0.000 0.996 193 G CA 0.765 45.837 45.100 -0.047 0.000 0.626 193 G HN 0.866 9.251 8.290 0.157 0.000 0.509 194 D N 1.064 121.507 120.400 0.073 0.000 2.354 194 D HA 0.082 4.810 4.640 0.148 0.000 0.209 194 D C 0.085 176.446 176.300 0.103 0.000 1.015 194 D CA 0.771 54.834 54.000 0.104 0.000 0.867 194 D CB 0.576 41.421 40.800 0.076 0.000 0.933 194 D HN 0.035 8.361 8.370 0.082 0.093 0.520 195 S N -0.801 114.945 115.700 0.077 0.000 2.561 195 S HA -0.496 4.156 4.470 0.052 -0.150 0.294 195 S C 0.915 175.486 174.600 -0.049 0.000 1.294 195 S CA 3.150 61.373 58.200 0.039 0.000 1.055 195 S CB 0.084 63.347 63.200 0.104 0.000 0.819 195 S HN -0.452 7.866 8.310 0.092 0.048 0.503 196 G N 4.164 112.918 108.800 -0.077 0.000 2.336 196 G HA2 -0.442 3.533 3.960 -0.100 0.000 0.233 196 G HA3 -0.442 3.592 3.960 -0.111 -0.140 0.233 196 G C 0.102 175.026 174.900 0.040 0.000 1.053 196 G CA 0.185 45.244 45.100 -0.070 0.000 0.625 196 G HN 0.661 8.912 8.290 -0.064 0.000 0.511 197 G N 1.306 110.183 108.800 0.128 0.000 2.653 197 G HA2 0.305 4.405 3.960 0.234 0.000 0.265 197 G HA3 0.305 4.485 3.960 0.367 0.000 0.265 197 G C -2.739 172.294 174.900 0.223 0.000 1.237 197 G CA -1.669 43.582 45.100 0.251 0.000 0.946 197 G HN -0.407 7.853 8.290 0.121 0.103 0.522 198 P HA 0.548 5.194 4.420 0.142 -0.141 0.287 198 P C -2.009 175.374 177.300 0.139 0.000 1.279 198 P CA -1.572 61.637 63.100 0.182 0.000 0.867 198 P CB 2.586 34.401 31.700 0.191 0.000 1.127 199 L N 2.764 124.010 121.223 0.039 0.000 2.345 199 L HA 0.607 5.072 4.340 -0.089 -0.179 0.274 199 L C -2.053 174.762 176.870 -0.092 0.000 0.999 199 L CA -1.019 53.753 54.840 -0.113 0.000 0.849 199 L CB 1.771 43.598 42.059 -0.386 0.000 1.220 199 L HN 0.007 8.257 8.230 0.033 0.000 0.422 200 V N 8.068 127.948 119.914 -0.058 0.000 2.435 200 V HA 0.882 5.159 4.120 -0.119 -0.229 0.290 200 V C -1.010 175.039 176.094 -0.075 0.000 1.030 200 V CA -1.455 60.797 62.300 -0.079 0.000 0.881 200 V CB 2.203 34.002 31.823 -0.039 0.000 0.983 200 V HN 0.671 8.846 8.190 -0.024 0.000 0.445 201 c N 5.016 123.562 118.600 -0.090 0.000 3.154 201 c HA 0.463 4.996 4.570 -0.061 0.000 0.312 201 c C -1.605 172.444 174.090 -0.067 0.000 1.349 201 c CA -1.599 54.686 56.329 -0.074 0.000 1.518 201 c CB 4.320 46.781 42.510 -0.081 0.000 1.934 201 c HN 0.671 8.836 8.230 -0.108 0.000 0.462 202 S N 0.611 116.279 115.700 -0.053 0.000 2.499 202 S HA 0.823 5.489 4.470 -0.052 -0.227 0.279 202 S C -0.774 173.798 174.600 -0.048 0.000 1.219 202 S CA -0.684 57.488 58.200 -0.047 0.000 1.062 202 S CB 0.590 63.771 63.200 -0.033 0.000 0.978 202 S HN 0.408 8.687 8.310 -0.051 0.000 0.489 203 L N 5.071 126.266 121.223 -0.046 0.000 2.464 203 L HA 0.352 4.670 4.340 -0.037 0.000 0.266 203 L C -0.440 176.411 176.870 -0.032 0.000 0.965 203 L CA -0.270 54.547 54.840 -0.038 0.000 0.833 203 L CB 2.989 45.027 42.059 -0.036 0.000 1.296 203 L HN 0.415 8.510 8.230 -0.049 0.106 0.405 204 Q N 3.915 123.699 119.800 -0.026 0.000 2.435 204 Q HA -0.382 3.947 4.340 -0.018 0.000 0.286 204 Q C -0.123 175.866 176.000 -0.019 0.000 1.229 204 Q CA 1.031 56.822 55.803 -0.020 0.000 0.884 204 Q CB -1.844 26.884 28.738 -0.017 0.000 1.245 204 Q HN 0.892 9.146 8.270 -0.026 0.000 0.488 205 G N -6.685 102.102 108.800 -0.021 0.000 2.162 205 G HA2 -0.437 3.514 3.960 -0.015 0.000 0.260 205 G HA3 -0.437 3.515 3.960 -0.012 0.000 0.260 205 G C -0.823 174.067 174.900 -0.016 0.000 0.976 205 G CA -0.121 44.969 45.100 -0.016 0.000 0.655 205 G HN 0.446 8.702 8.290 -0.024 0.019 0.533 206 R N -1.269 119.215 120.500 -0.027 0.000 2.943 206 R HA 0.342 4.669 4.340 -0.022 0.000 0.246 206 R C -1.777 174.490 176.300 -0.055 0.000 1.201 206 R CA -2.648 53.430 56.100 -0.036 0.000 1.056 206 R CB 2.633 32.905 30.300 -0.047 0.000 1.243 206 R HN 0.038 8.108 8.270 -0.031 0.181 0.498 207 M N 0.138 119.687 119.600 -0.086 0.000 2.101 207 M HA 0.520 5.107 4.480 -0.093 -0.162 0.340 207 M C -0.698 175.472 176.300 -0.217 0.000 1.057 207 M CA -1.990 53.231 55.300 -0.131 0.000 0.984 207 M CB 0.256 32.776 32.600 -0.133 0.000 1.560 207 M HN 0.660 8.898 8.290 -0.086 0.000 0.435 208 T N 4.219 118.664 114.554 -0.183 0.000 2.932 208 T HA 0.475 4.842 4.350 -0.215 -0.146 0.289 208 T C -1.519 173.065 174.700 -0.193 0.000 1.039 208 T CA -1.101 60.889 62.100 -0.182 0.000 1.024 208 T CB 2.851 71.655 68.868 -0.106 0.000 1.090 208 T HN 1.062 9.219 8.240 -0.139 0.000 0.496 209 L N 4.216 125.331 121.223 -0.180 0.000 2.295 209 L HA 0.122 4.477 4.340 -0.154 -0.106 0.288 209 L C -0.581 176.246 176.870 -0.073 0.000 1.079 209 L CA -0.171 54.586 54.840 -0.138 0.000 0.830 209 L CB 0.046 42.037 42.059 -0.114 0.000 1.200 209 L HN 0.413 8.541 8.230 -0.170 0.000 0.438 210 T N 6.827 121.338 114.554 -0.071 0.000 3.010 210 T HA 0.121 4.460 4.350 -0.018 0.000 0.252 210 T C -0.053 174.639 174.700 -0.014 0.000 1.047 210 T CA 3.243 65.317 62.100 -0.042 0.000 1.140 210 T CB 1.091 69.916 68.868 -0.072 0.000 0.885 210 T HN 0.594 8.779 8.240 -0.092 0.000 0.464 211 G N -2.154 106.630 108.800 -0.027 0.000 2.695 211 G HA2 0.649 4.844 3.960 0.084 0.000 0.290 211 G HA3 0.649 4.639 3.960 0.050 0.000 0.290 211 G C -3.345 171.632 174.900 0.129 0.000 1.410 211 G CA -0.550 44.585 45.100 0.058 0.000 0.844 211 G HN -0.594 7.660 8.290 -0.060 0.000 0.478 212 I N -1.229 119.456 120.570 0.191 0.000 2.433 212 I HA 0.512 4.959 4.170 0.163 -0.179 0.292 212 I C -0.156 176.088 176.117 0.213 0.000 1.001 212 I CA -1.357 60.038 61.300 0.159 0.000 1.119 212 I CB 3.411 41.431 38.000 0.032 0.000 1.289 212 I HN -0.305 8.097 8.210 0.188 -0.079 0.438 213 V N 7.598 127.630 119.914 0.196 0.000 2.475 213 V HA -0.288 3.534 4.120 -0.496 0.000 0.292 213 V C -1.154 174.893 176.094 -0.080 0.000 1.003 213 V CA 2.323 64.581 62.300 -0.070 0.000 1.120 213 V CB -1.312 30.534 31.823 0.038 0.000 0.937 213 V HN 0.568 8.886 8.190 0.214 0.000 0.476 214 S N 7.677 123.277 115.700 -0.166 0.000 3.066 214 S HA 0.392 4.983 4.470 0.201 0.000 0.235 214 S C -1.375 173.408 174.600 0.304 0.000 0.995 214 S CA 1.184 59.460 58.200 0.126 0.000 0.835 214 S CB 2.265 65.569 63.200 0.173 0.000 0.814 214 S HN 0.081 8.113 8.310 -0.463 0.000 0.594 215 W N -3.942 117.332 121.300 -0.043 0.000 2.940 215 W HA 0.277 4.927 4.660 -0.017 0.000 0.394 215 W C -2.621 173.815 176.519 -0.139 0.000 1.155 215 W CA -1.307 56.001 57.345 -0.062 0.000 1.165 215 W CB 1.170 30.562 29.460 -0.114 0.000 1.492 215 W HN -0.552 7.360 8.180 -0.446 0.000 0.593 216 G N -3.506 105.410 108.800 0.195 0.000 2.377 216 G HA2 0.058 3.944 3.960 -0.124 0.000 0.297 216 G HA3 0.058 4.022 3.960 0.006 0.000 0.297 216 G C -2.488 172.551 174.900 0.231 0.000 1.547 216 G CA 0.359 45.503 45.100 0.073 0.000 0.833 216 G HN -0.146 8.381 8.290 0.395 0.000 0.583 220 c N 0.941 119.579 118.600 0.064 0.000 2.481 220 c HA 0.154 4.772 4.570 0.080 0.000 0.324 220 c C -0.313 173.820 174.090 0.072 0.000 1.170 220 c CA -0.800 55.572 56.329 0.072 0.000 1.361 220 c CB 0.950 43.503 42.510 0.071 0.000 1.977 220 c HN 0.158 8.418 8.230 0.051 0.000 0.459 221 A N 4.677 127.557 122.820 0.100 0.000 2.739 221 A HA -0.397 4.048 4.320 0.208 0.000 0.296 221 A C -1.619 176.026 177.584 0.101 0.000 1.488 221 A CA 0.825 52.945 52.037 0.139 0.000 0.746 221 A CB -1.546 17.518 19.000 0.106 0.000 1.047 221 A HN 0.607 9.159 8.150 0.110 -0.335 0.477 222 L N -3.055 118.186 121.223 0.029 0.000 2.344 222 L HA 0.106 4.383 4.340 -0.106 0.000 0.272 222 L C 0.696 177.304 176.870 -0.436 0.000 1.035 222 L CA -1.433 53.325 54.840 -0.137 0.000 0.807 222 L CB 1.785 43.755 42.059 -0.147 0.000 1.237 222 L HN -0.563 7.700 8.230 0.055 0.000 0.442 223 K N 2.659 122.649 120.400 -0.683 0.000 2.408 223 K HA -0.245 2.318 4.320 -2.870 0.035 0.231 223 K C -0.896 174.835 176.600 -1.450 0.000 1.261 223 K CA 0.755 56.110 56.287 -1.554 0.000 1.193 223 K CB -2.069 29.857 32.500 -0.957 0.000 1.431 223 K HN 0.419 8.405 8.250 -0.440 0.000 0.243 224 K N -2.506 117.341 120.400 -0.921 0.000 2.200 224 K HA -0.159 3.719 4.320 -0.885 -0.089 0.983 224 K C -3.341 173.233 176.600 -0.043 0.000 0.818 224 K CA -0.841 55.142 56.287 -0.507 0.000 1.005 224 K CB -2.743 29.606 32.500 -0.252 0.000 3.207 224 K HN -0.487 7.328 8.250 -1.128 -0.241 0.189 225 P HA -0.025 4.656 4.420 0.435 0.000 0.275 225 P C -1.159 176.280 177.300 0.233 0.000 1.270 225 P CA -0.390 62.899 63.100 0.316 0.000 0.791 225 P CB 1.161 33.045 31.700 0.308 0.000 1.089 226 G N -2.731 106.165 108.800 0.160 0.000 2.389 226 G HA2 0.570 4.447 3.960 -0.138 0.000 0.317 226 G HA3 0.570 4.494 3.960 -0.060 0.000 0.317 226 G C -2.069 172.709 174.900 -0.204 0.000 1.137 226 G CA -1.080 43.976 45.100 -0.074 0.000 0.870 226 G HN -0.245 8.179 8.290 0.224 0.000 0.496 227 V N 2.886 122.406 119.914 -0.657 0.000 2.513 227 V HA 0.713 4.854 4.120 -0.236 -0.162 0.299 227 V C -1.110 174.572 176.094 -0.687 0.000 1.035 227 V CA -1.139 60.757 62.300 -0.673 0.000 0.889 227 V CB 2.343 33.238 31.823 -1.546 0.000 0.988 227 V HN 0.374 8.091 8.190 -0.788 0.000 0.440 228 Y N 4.335 124.522 120.300 -0.188 0.000 2.570 228 Y HA 0.670 5.331 4.550 -0.063 -0.148 0.345 228 Y C 0.259 176.150 175.900 -0.016 0.000 1.014 228 Y CA -2.280 55.775 58.100 -0.074 0.000 1.063 228 Y CB 3.707 42.142 38.460 -0.043 0.000 1.272 228 Y HN 1.050 9.411 8.280 0.135 0.000 0.477 229 T N 3.668 118.308 114.554 0.142 0.000 2.884 229 T HA -0.016 4.425 4.350 0.152 0.000 0.298 229 T C -0.755 174.045 174.700 0.167 0.000 0.998 229 T CA 1.761 63.926 62.100 0.109 0.000 1.124 229 T CB 0.589 69.416 68.868 -0.068 0.000 0.931 229 T HN 0.497 8.815 8.240 0.129 0.000 0.531 230 R N 8.066 128.713 120.500 0.245 0.000 2.608 230 R HA 0.072 4.491 4.340 0.131 0.000 0.277 230 R C 1.014 177.511 176.300 0.327 0.000 1.341 230 R CA -0.704 55.507 56.100 0.186 0.000 1.199 230 R CB -0.623 29.681 30.300 0.005 0.000 1.156 230 R HN 0.135 8.596 8.270 0.317 0.000 0.558 231 V N 7.643 127.704 119.914 0.245 0.000 2.277 231 V HA -0.634 3.680 4.120 0.323 0.000 0.253 231 V C 1.364 177.600 176.094 0.237 0.000 1.067 231 V CA 4.250 66.699 62.300 0.249 0.000 1.047 231 V CB -0.205 31.683 31.823 0.107 0.000 0.649 231 V HN 0.077 8.337 8.190 0.160 0.026 0.447 232 S N -0.453 115.348 115.700 0.169 0.000 2.440 232 S HA -0.391 4.077 4.470 -0.003 0.000 0.240 232 S C 1.143 175.686 174.600 -0.095 0.000 1.014 232 S CA 3.419 61.668 58.200 0.082 0.000 0.980 232 S CB -0.185 63.117 63.200 0.171 0.000 0.775 232 S HN 0.234 8.628 8.310 0.161 0.013 0.499 233 H N -0.212 118.726 119.070 -0.220 0.000 2.529 233 H HA 0.168 4.224 4.556 -0.833 0.000 0.277 233 H C 1.181 176.135 175.328 -0.624 0.000 1.004 233 H CA 0.818 56.571 56.048 -0.491 0.000 1.167 233 H CB -0.501 29.066 29.762 -0.326 0.000 1.445 233 H HN -0.168 8.126 8.280 0.306 0.170 0.554 234 F N -0.617 119.334 119.950 0.002 0.000 2.688 234 F HA 0.195 4.796 4.527 0.124 0.000 0.310 234 F C -0.154 175.716 175.800 0.116 0.000 1.098 234 F CA 0.209 58.263 58.000 0.090 0.000 1.228 234 F CB 0.228 39.284 39.000 0.093 0.000 1.042 234 F HN 0.459 8.664 8.300 0.155 0.188 0.557 235 L N 2.360 123.632 121.223 0.082 0.000 1.997 235 L HA -0.403 3.984 4.340 0.079 0.000 0.216 235 L C -0.666 176.248 176.870 0.073 0.000 1.074 235 L CA 5.998 60.861 54.840 0.038 0.000 0.763 235 L CB -2.877 39.123 42.059 -0.098 0.000 0.890 235 L HN -0.118 8.015 8.230 -0.063 0.059 0.434 236 P HA -0.266 4.175 4.420 0.035 0.000 0.215 236 P C 1.076 178.472 177.300 0.160 0.000 1.157 236 P CA 3.249 66.403 63.100 0.090 0.000 0.874 236 P CB -0.547 31.214 31.700 0.101 0.000 0.790 237 W N -2.249 119.127 121.300 0.128 0.000 2.335 237 W HA -0.230 4.547 4.660 0.195 0.000 0.311 237 W C 2.010 178.656 176.519 0.212 0.000 1.213 237 W CA 3.207 60.689 57.345 0.229 0.000 1.274 237 W CB -0.074 29.641 29.460 0.425 0.000 1.148 237 W HN -0.410 8.030 8.180 0.433 0.000 0.498 238 I N -0.781 119.952 120.570 0.271 0.000 2.099 238 I HA -0.731 3.296 4.170 -0.238 0.000 0.239 238 I C 2.573 178.565 176.117 -0.208 0.000 1.066 238 I CA 4.669 65.943 61.300 -0.044 0.000 1.324 238 I CB -0.391 37.639 38.000 0.049 0.000 1.037 238 I HN 0.314 8.797 8.210 0.455 0.000 0.401 239 R N -0.291 120.134 120.500 -0.124 0.000 2.112 239 R HA -0.461 3.768 4.340 -0.186 0.000 0.242 239 R C 2.663 178.817 176.300 -0.244 0.000 1.137 239 R CA 3.770 59.772 56.100 -0.164 0.000 0.944 239 R CB -0.279 29.966 30.300 -0.092 0.000 0.857 239 R HN 0.403 8.653 8.270 -0.034 0.000 0.435 240 S N -1.930 113.597 115.700 -0.287 0.000 2.528 240 S HA -0.107 4.180 4.470 -0.305 0.000 0.244 240 S C 0.803 175.008 174.600 -0.659 0.000 0.982 240 S CA 2.242 60.177 58.200 -0.441 0.000 0.953 240 S CB -0.406 62.501 63.200 -0.487 0.000 0.754 240 S HN -0.020 8.163 8.310 -0.212 0.000 0.529 241 H N -1.776 117.005 119.070 -0.480 0.000 2.510 241 H HA 0.382 4.727 4.556 -0.351 0.000 0.266 241 H C -1.152 173.757 175.328 -0.699 0.000 1.146 241 H CA -0.474 55.248 56.048 -0.543 0.000 0.993 241 H CB 0.321 29.635 29.762 -0.746 0.000 1.727 241 H HN 0.102 7.922 8.280 -0.442 0.195 0.590 242 T N 0.000 114.293 114.554 -0.436 0.000 3.816 242 T HA 0.000 3.973 4.350 -0.628 0.000 0.228 242 T CA 0.000 61.831 62.100 -0.449 0.000 1.349 242 T CB 0.000 68.577 68.868 -0.484 0.000 0.612 242 T HN 0.000 7.985 8.240 -0.336 0.054 0.658