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 1ghz_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 4.178 4.170 0.013 0.000 0.288 16 I C 0.000 176.100 176.117 -0.028 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 16 I CB 0.000 37.961 38.000 -0.066 0.000 1.214 17 V N 5.127 125.039 119.914 -0.004 0.000 2.459 17 V HA 0.271 4.505 4.120 -0.022 -0.127 0.295 17 V C 0.460 176.555 176.094 0.002 0.000 1.029 17 V CA -1.730 60.566 62.300 -0.007 0.000 0.874 17 V CB 1.179 33.004 31.823 0.003 0.000 0.985 17 V HN 0.887 9.089 8.190 0.019 0.000 0.438 18 G N 6.905 115.701 108.800 -0.006 0.000 2.176 18 G HA2 -0.395 3.561 3.960 -0.007 0.000 0.252 18 G HA3 -0.395 3.706 3.960 -0.023 -0.155 0.252 18 G C -0.707 174.203 174.900 0.017 0.000 1.024 18 G CA 0.488 45.583 45.100 -0.007 0.000 0.755 18 G HN 0.771 9.055 8.290 -0.011 0.000 0.507 19 G N -1.395 107.414 108.800 0.015 0.000 2.828 19 G HA2 0.572 4.572 3.960 0.104 0.000 0.244 19 G HA3 0.572 4.583 3.960 -0.080 -0.099 0.244 19 G C -1.892 173.058 174.900 0.083 0.000 1.365 19 G CA -1.179 43.934 45.100 0.022 0.000 1.041 19 G HN -0.657 7.602 8.290 -0.006 0.027 0.560 20 Y N -6.314 113.968 120.300 -0.030 0.000 2.638 20 Y HA 0.406 4.939 4.550 -0.027 0.000 0.339 20 Y C -1.854 174.021 175.900 -0.042 0.000 1.084 20 Y CA -2.735 55.347 58.100 -0.031 0.000 1.068 20 Y CB 1.326 39.770 38.460 -0.026 0.000 1.294 20 Y HN 0.417 8.269 8.280 -0.534 0.107 0.480 21 T N 3.170 117.784 114.554 0.100 0.000 2.799 21 T HA -0.046 4.386 4.350 -0.094 -0.139 0.296 21 T C 0.353 175.080 174.700 0.046 0.000 0.947 21 T CA 1.884 63.986 62.100 0.005 0.000 1.141 21 T CB -0.266 68.630 68.868 0.047 0.000 0.891 21 T HN 0.212 8.562 8.240 0.183 0.000 0.533 22 c N 6.581 125.108 118.600 -0.123 0.000 2.413 22 c HA -0.110 4.446 4.570 -0.023 0.000 0.277 22 c C 0.506 174.619 174.090 0.039 0.000 1.228 22 c CA 0.872 57.160 56.329 -0.069 0.000 1.731 22 c CB -0.521 41.879 42.510 -0.184 0.000 2.042 22 c HN 0.530 8.635 8.230 -0.208 0.000 0.468 23 G N -2.651 106.150 108.800 0.002 0.000 2.592 23 G HA2 -0.175 3.801 3.960 0.026 0.000 0.685 23 G HA3 -0.175 3.804 3.960 0.031 0.000 0.685 23 G C -1.933 172.965 174.900 -0.003 0.000 1.278 23 G CA -0.971 44.141 45.100 0.019 0.000 0.822 23 G HN -0.393 7.875 8.290 -0.036 0.000 0.652 24 A N 3.129 125.956 122.820 0.012 0.000 2.566 24 A HA -0.216 4.347 4.320 0.024 -0.229 0.245 24 A C -0.197 177.389 177.584 0.003 0.000 1.056 24 A CA 1.033 53.080 52.037 0.016 0.000 0.757 24 A CB -0.004 19.011 19.000 0.026 0.000 0.979 24 A HN 0.305 8.466 8.150 0.019 0.000 0.508 25 N N -2.161 116.538 118.700 -0.002 0.000 2.710 25 N HA -0.386 4.339 4.740 -0.027 0.000 0.249 25 N C 0.315 175.801 175.510 -0.040 0.000 1.059 25 N CA 1.514 54.553 53.050 -0.019 0.000 0.720 25 N CB -1.082 37.406 38.487 0.002 0.000 0.983 25 N HN 0.511 8.898 8.380 0.012 0.000 0.544 26 T N -3.976 110.544 114.554 -0.056 0.000 3.081 26 T HA -0.007 4.330 4.350 -0.022 0.000 0.250 26 T C -0.392 174.247 174.700 -0.102 0.000 1.100 26 T CA 1.076 63.148 62.100 -0.046 0.000 1.038 26 T CB 0.719 69.577 68.868 -0.016 0.000 0.962 26 T HN -0.516 7.665 8.240 -0.063 0.021 0.516 27 V N 2.438 122.227 119.914 -0.208 0.000 2.271 27 V HA 0.354 4.198 4.120 -0.460 0.000 0.259 27 V C -1.118 174.654 176.094 -0.537 0.000 1.030 27 V CA -3.547 58.471 62.300 -0.470 0.000 0.957 27 V CB 0.889 32.419 31.823 -0.488 0.000 1.186 27 V HN -0.416 7.609 8.190 -0.179 0.058 0.471 28 P HA 0.043 4.488 4.420 -0.103 -0.086 0.226 28 P C 0.135 177.381 177.300 -0.089 0.000 1.153 28 P CA 1.633 64.650 63.100 -0.138 0.000 0.777 28 P CB 0.131 31.824 31.700 -0.012 0.000 0.794 29 Y N -5.547 114.777 120.300 0.039 0.000 2.466 29 Y HA 0.505 5.253 4.550 0.055 -0.165 0.272 29 Y C -0.600 175.336 175.900 0.061 0.000 1.169 29 Y CA -3.520 54.609 58.100 0.049 0.000 1.285 29 Y CB -1.474 37.011 38.460 0.042 0.000 1.078 29 Y HN -0.394 7.353 8.280 -0.795 0.055 0.523 30 Q N 2.624 122.310 119.800 -0.191 0.000 2.304 30 Q HA 0.235 4.765 4.340 0.097 -0.132 0.260 30 Q C -0.377 175.708 176.000 0.141 0.000 0.965 30 Q CA 0.029 55.818 55.803 -0.022 0.000 0.898 30 Q CB 1.306 29.919 28.738 -0.208 0.000 1.196 30 Q HN -0.636 7.298 8.270 -0.449 0.067 0.402 31 V N 1.716 121.754 119.914 0.207 0.000 3.001 31 V HA 0.811 5.179 4.120 0.220 -0.117 0.314 31 V C -2.176 174.090 176.094 0.287 0.000 1.099 31 V CA -2.863 59.564 62.300 0.212 0.000 0.989 31 V CB 3.982 35.878 31.823 0.121 0.000 1.040 31 V HN 0.447 8.755 8.190 0.196 0.000 0.434 32 S N 1.121 116.906 115.700 0.142 0.000 2.473 32 S HA 0.522 5.256 4.470 0.234 -0.124 0.307 32 S C -1.084 173.433 174.600 -0.137 0.000 1.094 32 S CA -2.052 56.170 58.200 0.036 0.000 1.070 32 S CB 1.775 64.775 63.200 -0.334 0.000 1.019 32 S HN 0.117 8.474 8.310 0.079 0.000 0.480 33 L N 6.821 127.837 121.223 -0.344 0.000 2.289 33 L HA 0.595 4.894 4.340 -0.291 -0.133 0.285 33 L C -1.473 175.034 176.870 -0.605 0.000 1.049 33 L CA -0.924 53.600 54.840 -0.527 0.000 0.804 33 L CB 1.059 42.576 42.059 -0.904 0.000 1.195 33 L HN 0.721 8.705 8.230 -0.410 0.000 0.428 38 G N -0.206 108.349 108.800 -0.408 0.000 2.195 38 G HA2 -0.271 3.607 3.960 -0.136 0.000 0.224 38 G HA3 -0.271 3.638 3.960 -0.084 0.000 0.224 38 G C -1.660 173.203 174.900 -0.061 0.000 0.990 38 G CA 0.245 45.232 45.100 -0.189 0.000 0.639 38 G HN 0.259 8.615 8.290 -0.340 -0.270 0.514 39 Y N -7.494 112.784 120.300 -0.038 0.000 2.702 39 Y HA 0.205 4.719 4.550 -0.060 0.000 0.336 39 Y C -2.501 173.415 175.900 0.026 0.000 1.203 39 Y CA -3.363 54.720 58.100 -0.028 0.000 1.072 39 Y CB 0.819 39.262 38.460 -0.028 0.000 1.327 39 Y HN -1.275 6.621 8.280 -0.729 -0.053 0.456 40 H N 2.390 121.479 119.070 0.031 0.000 2.722 40 H HA 0.110 4.725 4.556 -0.212 -0.187 0.328 40 H C -0.316 175.112 175.328 0.167 0.000 1.067 40 H CA -0.417 55.586 56.048 -0.074 0.000 1.447 40 H CB 0.498 30.150 29.762 -0.184 0.000 1.469 40 H HN 0.274 8.684 8.280 0.217 0.000 0.544 41 F N 2.526 122.149 119.950 -0.545 0.000 2.876 41 F HA 0.339 4.808 4.527 -0.096 0.000 0.344 41 F C -1.508 174.066 175.800 -0.377 0.000 1.029 41 F CA -0.736 57.098 58.000 -0.276 0.000 1.154 41 F CB 1.547 40.513 39.000 -0.055 0.000 1.040 41 F HN -0.036 7.679 8.300 -0.974 0.000 0.576 42 c N -1.391 116.521 118.600 -1.148 0.000 3.312 42 c HA 0.345 4.831 4.570 -0.229 -0.053 0.332 42 c C -1.667 172.211 174.090 -0.352 0.000 1.340 42 c CA -0.196 55.793 56.329 -0.567 0.000 1.265 42 c CB 4.044 46.282 42.510 -0.453 0.000 1.563 42 c HN -0.828 6.429 8.230 -1.622 0.000 0.471 43 G N -0.866 107.927 108.800 -0.012 0.000 2.552 43 G HA2 0.798 5.094 3.960 0.271 0.000 0.318 43 G HA3 0.798 4.893 3.960 0.225 0.000 0.318 43 G C -2.457 172.473 174.900 0.049 0.000 1.240 43 G CA -1.550 43.646 45.100 0.159 0.000 1.002 43 G HN 0.811 9.100 8.290 -0.002 0.000 0.493 44 G N -3.845 105.018 108.800 0.106 0.000 2.559 44 G HA2 0.561 4.831 3.960 0.080 0.000 0.291 44 G HA3 0.561 4.558 3.960 0.062 0.000 0.291 44 G C -2.932 172.056 174.900 0.146 0.000 1.424 44 G CA 0.264 45.418 45.100 0.091 0.000 0.786 44 G HN -0.547 7.842 8.290 0.165 0.000 0.485 45 S N -0.582 115.209 115.700 0.151 0.000 2.521 45 S HA 0.882 5.724 4.470 0.266 -0.213 0.295 45 S C -1.387 173.315 174.600 0.171 0.000 1.098 45 S CA -0.941 57.380 58.200 0.201 0.000 0.999 45 S CB 3.933 67.238 63.200 0.175 0.000 1.034 45 S HN 0.431 8.818 8.310 0.128 0.000 0.483 46 L N 5.902 127.242 121.223 0.195 0.000 2.313 46 L HA 0.223 4.771 4.340 0.146 -0.120 0.282 46 L C -0.603 176.351 176.870 0.140 0.000 1.092 46 L CA -0.286 54.649 54.840 0.159 0.000 0.831 46 L CB 1.164 43.315 42.059 0.154 0.000 1.159 46 L HN 0.436 8.714 8.230 0.255 0.106 0.442 47 I N -0.115 120.535 120.570 0.133 0.000 4.070 47 I HA 0.447 4.814 4.170 0.067 -0.157 0.328 47 I C -0.902 175.273 176.117 0.095 0.000 1.298 47 I CA -0.431 60.925 61.300 0.094 0.000 1.173 47 I CB 0.785 38.831 38.000 0.076 0.000 1.051 47 I HN 0.319 8.626 8.210 0.160 0.000 0.409 48 N N -2.962 115.816 118.700 0.130 0.000 3.348 48 N HA 0.115 4.909 4.740 0.091 0.000 0.233 48 N C -0.525 175.060 175.510 0.124 0.000 1.440 48 N CA -0.294 52.829 53.050 0.120 0.000 0.887 48 N CB 1.213 39.778 38.487 0.129 0.000 1.410 48 N HN -0.976 7.495 8.380 0.153 0.000 0.502 49 S N -1.551 114.206 115.700 0.096 0.000 2.440 49 S HA -0.375 4.130 4.470 0.058 0.000 0.240 49 S C 0.933 175.556 174.600 0.039 0.000 1.014 49 S CA 2.735 60.973 58.200 0.064 0.000 0.980 49 S CB 0.060 63.288 63.200 0.047 0.000 0.775 49 S HN 0.486 8.848 8.310 0.087 0.000 0.499 50 Q N -2.512 117.324 119.800 0.059 0.000 2.217 50 Q HA 0.233 4.492 4.340 -0.136 0.000 0.217 50 Q C -0.965 174.861 176.000 -0.290 0.000 0.844 50 Q CA 0.084 55.822 55.803 -0.108 0.000 0.957 50 Q CB 1.110 29.780 28.738 -0.114 0.000 1.127 50 Q HN 0.028 8.345 8.270 0.143 0.040 0.503 51 W N -2.254 119.050 121.300 0.006 0.000 2.936 51 W HA 0.592 5.432 4.660 0.003 -0.177 0.338 51 W C -1.605 174.925 176.519 0.018 0.000 1.121 51 W CA -0.759 56.589 57.345 0.003 0.000 1.209 51 W CB 3.902 33.351 29.460 -0.018 0.000 1.420 51 W HN -0.514 7.809 8.180 0.239 0.000 0.516 52 V N 0.794 120.871 119.914 0.272 0.000 2.823 52 V HA 0.834 5.239 4.120 0.172 -0.182 0.312 52 V C -2.078 174.133 176.094 0.196 0.000 1.072 52 V CA -1.533 60.877 62.300 0.183 0.000 0.937 52 V CB 4.111 35.997 31.823 0.106 0.000 1.013 52 V HN 0.834 9.206 8.190 0.303 0.000 0.430 53 V N 5.953 125.959 119.914 0.153 0.000 2.555 53 V HA 0.939 5.325 4.120 0.161 -0.170 0.302 53 V C -2.262 173.895 176.094 0.106 0.000 1.038 53 V CA -2.673 59.710 62.300 0.139 0.000 0.887 53 V CB 3.180 35.077 31.823 0.123 0.000 0.991 53 V HN 0.582 8.857 8.190 0.141 0.000 0.434 54 S N 6.939 122.690 115.700 0.086 0.000 2.880 54 S HA 0.574 5.253 4.470 0.043 -0.184 0.308 54 S C -2.136 172.465 174.600 0.000 0.000 1.195 54 S CA -2.387 55.835 58.200 0.036 0.000 0.866 54 S CB 2.385 65.591 63.200 0.010 0.000 1.254 54 S HN 0.679 9.052 8.310 0.104 0.000 0.571 55 A N -0.577 122.203 122.820 -0.067 0.000 2.306 55 A HA 0.455 4.882 4.320 -0.083 -0.157 0.314 55 A C 0.447 177.921 177.584 -0.182 0.000 1.164 55 A CA -1.616 50.344 52.037 -0.127 0.000 0.822 55 A CB 1.462 20.334 19.000 -0.214 0.000 1.130 55 A HN 0.333 8.431 8.150 -0.087 0.000 0.496 56 A N 4.663 127.318 122.820 -0.274 0.000 1.972 56 A HA -0.242 3.933 4.320 -0.241 0.000 0.219 56 A C 1.300 178.676 177.584 -0.348 0.000 1.169 56 A CA 2.829 54.584 52.037 -0.469 0.000 0.635 56 A CB -0.360 17.932 19.000 -1.180 0.000 0.810 56 A HN 0.597 8.625 8.150 -0.263 -0.036 0.446 57 H N -4.647 114.285 119.070 -0.229 0.000 2.563 57 H HA -0.069 4.539 4.556 0.086 0.000 0.272 57 H C 0.069 175.457 175.328 0.101 0.000 1.005 57 H CA 1.383 57.449 56.048 0.029 0.000 1.171 57 H CB -1.331 28.504 29.762 0.123 0.000 1.351 57 H HN 0.041 8.536 8.280 -0.131 -0.294 0.602 58 c N -1.564 116.952 118.600 -0.141 0.000 2.791 58 c HA 0.042 4.690 4.570 0.130 0.000 0.270 58 c C 0.280 174.467 174.090 0.162 0.000 1.257 58 c CA -0.167 56.190 56.329 0.045 0.000 1.699 58 c CB -1.582 40.919 42.510 -0.015 0.000 1.904 58 c HN -0.268 7.638 8.230 -0.211 0.197 0.603 59 Y N 2.270 122.578 120.300 0.013 0.000 2.717 59 Y HA -0.233 4.342 4.550 0.042 0.000 0.330 59 Y C -1.020 174.868 175.900 -0.019 0.000 1.217 59 Y CA 1.950 60.060 58.100 0.015 0.000 1.506 59 Y CB 0.541 38.997 38.460 -0.007 0.000 1.268 59 Y HN -0.565 7.621 8.280 0.161 0.191 0.561 60 K N 7.522 127.290 120.400 -1.052 0.000 2.579 60 K HA 0.177 3.968 4.320 -0.882 0.000 0.284 60 K C -2.058 174.036 176.600 -0.845 0.000 0.990 60 K CA -1.134 54.609 56.287 -0.907 0.000 0.880 60 K CB 4.063 36.173 32.500 -0.651 0.000 1.488 60 K HN 0.132 7.848 8.250 -0.890 0.000 0.425 61 S N -0.223 115.162 115.700 -0.525 0.000 2.565 61 S HA 0.179 4.512 4.470 -0.228 0.000 0.290 61 S C -0.090 174.385 174.600 -0.208 0.000 1.150 61 S CA -0.191 57.848 58.200 -0.269 0.000 1.058 61 S CB 0.648 63.765 63.200 -0.139 0.000 1.032 61 S HN 0.018 8.056 8.310 -0.454 0.000 0.510 62 G N 4.012 112.732 108.800 -0.133 0.000 2.368 62 G HA2 -0.224 3.685 3.960 -0.085 0.000 0.290 62 G HA3 -0.224 3.662 3.960 -0.124 0.000 0.290 62 G C -1.568 173.264 174.900 -0.113 0.000 1.098 62 G CA -0.014 45.018 45.100 -0.115 0.000 1.073 62 G HN 0.314 8.544 8.290 -0.100 0.000 0.511 63 I N -0.845 119.680 120.570 -0.075 0.000 2.392 63 I HA 0.175 4.477 4.170 0.002 -0.131 0.295 63 I C -2.040 174.049 176.117 -0.048 0.000 0.985 63 I CA -1.312 59.974 61.300 -0.023 0.000 1.221 63 I CB 1.892 39.910 38.000 0.031 0.000 1.366 63 I HN -0.462 7.705 8.210 -0.071 0.000 0.467 64 Q N 6.210 125.969 119.800 -0.068 0.000 2.333 64 Q HA 0.472 4.879 4.340 -0.062 -0.104 0.267 64 Q C -1.711 174.229 176.000 -0.100 0.000 1.012 64 Q CA -1.459 54.291 55.803 -0.088 0.000 0.824 64 Q CB 3.815 32.470 28.738 -0.138 0.000 1.290 64 Q HN 0.378 8.609 8.270 -0.064 0.000 0.449 65 V N 7.215 127.094 119.914 -0.059 0.000 2.439 65 V HA 0.262 4.462 4.120 -0.075 -0.124 0.282 65 V C -1.215 174.882 176.094 0.005 0.000 1.039 65 V CA -0.053 62.223 62.300 -0.040 0.000 0.913 65 V CB 1.010 32.826 31.823 -0.013 0.000 0.983 65 V HN 1.093 9.153 8.190 -0.036 0.108 0.460 66 R N 6.284 126.783 120.500 -0.002 0.000 2.409 66 R HA 0.732 5.456 4.340 0.312 -0.197 0.313 66 R C -0.983 175.396 176.300 0.132 0.000 0.953 66 R CA -1.336 54.834 56.100 0.118 0.000 0.849 66 R CB 1.590 31.848 30.300 -0.071 0.000 1.171 66 R HN 0.755 8.999 8.270 -0.043 0.000 0.458 70 E N -1.099 119.201 120.200 0.168 0.000 2.319 70 E HA 0.080 4.518 4.350 0.146 0.000 0.268 70 E C -1.855 174.932 176.600 0.311 0.000 1.050 70 E CA 0.262 56.788 56.400 0.210 0.000 0.878 70 E CB 1.531 31.322 29.700 0.152 0.000 1.066 70 E HN -0.645 7.795 8.360 0.192 0.035 0.406 71 D N 1.552 122.111 120.400 0.265 0.000 2.912 71 D HA 0.057 4.888 4.640 0.317 0.000 0.170 71 D C -1.056 175.443 176.300 0.331 0.000 1.484 71 D CA 0.809 54.970 54.000 0.269 0.000 1.542 71 D CB 2.418 43.296 40.800 0.129 0.000 1.344 71 D HN 0.079 8.559 8.370 0.184 0.000 0.222 72 N N 1.126 119.931 118.700 0.175 0.000 2.420 72 N HA 0.181 5.175 4.740 0.179 -0.147 0.262 72 N C 2.179 177.699 175.510 0.017 0.000 1.144 72 N CA -0.193 52.930 53.050 0.122 0.000 0.952 72 N CB 0.646 39.178 38.487 0.076 0.000 1.081 72 N HN -0.282 8.501 8.380 0.129 -0.326 0.480 73 I N 0.011 120.502 120.570 -0.133 0.000 3.444 73 I HA -0.034 4.145 4.170 -0.248 -0.158 0.287 73 I C -0.323 175.705 176.117 -0.148 0.000 1.302 73 I CA 1.111 62.236 61.300 -0.293 0.000 1.368 73 I CB -0.634 36.944 38.000 -0.703 0.000 1.048 73 I HN 0.727 8.868 8.210 -0.115 0.000 0.487 74 N N -1.828 116.832 118.700 -0.067 0.000 2.205 74 N HA 0.158 4.873 4.740 -0.041 0.000 0.201 74 N C -1.081 174.432 175.510 0.006 0.000 1.128 74 N CA -0.142 52.891 53.050 -0.028 0.000 0.867 74 N CB 1.978 40.458 38.487 -0.012 0.000 0.996 74 N HN 0.031 8.697 8.380 -0.045 -0.313 0.503 75 V N 0.170 120.096 119.914 0.019 0.000 2.638 75 V HA 0.053 4.192 4.120 0.032 0.000 0.306 75 V C -1.414 174.710 176.094 0.049 0.000 1.052 75 V CA -1.012 61.308 62.300 0.034 0.000 0.885 75 V CB 3.399 35.241 31.823 0.031 0.000 0.999 75 V HN -0.853 7.351 8.190 0.012 -0.007 0.424 76 V N 7.474 127.419 119.914 0.050 0.000 2.387 76 V HA -0.176 4.194 4.120 0.062 -0.213 0.260 76 V C 0.267 176.368 176.094 0.011 0.000 1.054 76 V CA 0.600 62.923 62.300 0.039 0.000 0.967 76 V CB -0.324 31.516 31.823 0.027 0.000 1.036 76 V HN 0.309 8.525 8.190 0.044 0.000 0.481 77 E N 8.974 129.180 120.200 0.010 0.000 2.472 77 E HA 0.038 4.392 4.350 0.008 0.000 0.196 77 E C 0.567 177.160 176.600 -0.012 0.000 1.033 77 E CA 0.026 56.429 56.400 0.006 0.000 0.886 77 E CB 0.362 30.076 29.700 0.022 0.000 0.944 77 E HN 0.436 9.237 8.360 0.017 -0.430 0.492 78 G N -1.318 107.461 108.800 -0.035 0.000 2.284 78 G HA2 -0.330 3.592 3.960 -0.063 0.000 0.201 78 G HA3 -0.330 3.611 3.960 -0.033 0.000 0.201 78 G C -0.081 174.784 174.900 -0.059 0.000 0.998 78 G CA 0.294 45.364 45.100 -0.049 0.000 0.651 78 G HN 0.141 8.602 8.290 -0.047 -0.199 0.489 79 N N 0.225 118.897 118.700 -0.046 0.000 2.214 79 N HA 0.081 4.793 4.740 -0.046 0.000 0.214 79 N C -1.526 173.949 175.510 -0.058 0.000 1.132 79 N CA -0.679 52.346 53.050 -0.041 0.000 0.856 79 N CB 0.711 39.192 38.487 -0.010 0.000 1.020 79 N HN 0.330 8.691 8.380 -0.030 0.000 0.509 80 E N -0.020 120.109 120.200 -0.118 0.000 2.318 80 E HA 0.316 4.876 4.350 -0.043 -0.237 0.265 80 E C -0.239 176.197 176.600 -0.274 0.000 1.069 80 E CA -0.243 56.055 56.400 -0.170 0.000 0.893 80 E CB 0.831 30.343 29.700 -0.313 0.000 1.076 80 E HN -0.468 7.743 8.360 -0.136 0.067 0.414 81 Q N 0.376 120.078 119.800 -0.164 0.000 2.285 81 Q HA 0.307 4.517 4.340 -0.218 0.000 0.269 81 Q C -1.416 174.639 176.000 0.093 0.000 1.030 81 Q CA -1.170 54.565 55.803 -0.115 0.000 0.788 81 Q CB 3.303 32.027 28.738 -0.023 0.000 1.266 81 Q HN 0.413 8.673 8.270 -0.017 0.000 0.438 82 F N 3.607 123.539 119.950 -0.030 0.000 2.375 82 F HA 0.825 5.508 4.527 -0.044 -0.182 0.361 82 F C 0.043 175.820 175.800 -0.039 0.000 1.117 82 F CA -1.650 56.326 58.000 -0.039 0.000 1.037 82 F CB 1.834 40.809 39.000 -0.042 0.000 1.192 82 F HN 0.306 8.582 8.300 -0.039 0.000 0.452 83 I N 4.573 125.221 120.570 0.130 0.000 2.545 83 I HA 0.315 4.512 4.170 0.045 0.000 0.292 83 I C -1.004 175.116 176.117 0.005 0.000 1.040 83 I CA -1.317 60.010 61.300 0.045 0.000 1.068 83 I CB 4.032 42.042 38.000 0.017 0.000 1.251 83 I HN 0.991 9.274 8.210 0.122 0.000 0.424 84 S N 6.382 122.074 115.700 -0.012 0.000 2.592 84 S HA 0.128 4.688 4.470 -0.038 -0.113 0.271 84 S C -0.663 173.905 174.600 -0.053 0.000 1.326 84 S CA 0.752 58.932 58.200 -0.034 0.000 1.024 84 S CB 0.980 64.159 63.200 -0.034 0.000 0.921 84 S HN 0.494 8.801 8.310 -0.006 0.000 0.527 85 A N 2.596 125.382 122.820 -0.057 0.000 2.354 85 A HA 0.384 4.779 4.320 -0.102 -0.136 0.269 85 A C -0.443 177.096 177.584 -0.075 0.000 1.109 85 A CA -0.738 51.254 52.037 -0.075 0.000 0.800 85 A CB 0.871 19.841 19.000 -0.050 0.000 1.045 85 A HN -0.228 7.892 8.150 -0.050 0.000 0.489 86 S N 2.105 117.740 115.700 -0.108 0.000 2.483 86 S HA 0.078 4.512 4.470 -0.060 0.000 0.221 86 S C 0.430 174.994 174.600 -0.060 0.000 1.030 86 S CA 1.204 59.352 58.200 -0.086 0.000 0.925 86 S CB 1.396 64.528 63.200 -0.113 0.000 0.795 86 S HN 0.694 8.798 8.310 -0.158 0.112 0.511 87 K N 0.842 121.198 120.400 -0.074 0.000 2.568 87 K HA 0.239 4.576 4.320 0.028 0.000 0.273 87 K C -2.442 174.179 176.600 0.036 0.000 0.951 87 K CA 0.357 56.642 56.287 -0.003 0.000 0.854 87 K CB 2.832 35.337 32.500 0.008 0.000 1.424 87 K HN -0.825 7.348 8.250 -0.128 0.000 0.427 88 S N 2.159 117.930 115.700 0.118 0.000 2.526 88 S HA 0.923 5.675 4.470 0.177 -0.175 0.293 88 S C -0.926 173.796 174.600 0.204 0.000 1.092 88 S CA -0.731 57.581 58.200 0.185 0.000 0.980 88 S CB 2.641 65.995 63.200 0.256 0.000 1.048 88 S HN 0.126 8.511 8.310 0.124 0.000 0.483 89 I N 6.537 127.248 120.570 0.236 0.000 2.468 89 I HA 0.190 4.463 4.170 0.172 0.000 0.284 89 I C -1.676 174.596 176.117 0.259 0.000 1.038 89 I CA -0.349 61.091 61.300 0.234 0.000 1.083 89 I CB 2.916 41.077 38.000 0.270 0.000 1.223 89 I HN 0.973 9.340 8.210 0.261 0.000 0.443 90 V N 7.065 127.063 119.914 0.141 0.000 2.686 90 V HA -0.097 4.079 4.120 0.092 0.000 0.295 90 V C -0.426 175.726 176.094 0.097 0.000 1.057 90 V CA -0.969 61.373 62.300 0.071 0.000 1.012 90 V CB 1.095 32.873 31.823 -0.075 0.000 1.006 90 V HN 0.237 8.471 8.190 0.073 0.000 0.477 91 H N 7.631 126.621 119.070 -0.132 0.000 3.001 91 H HA -0.062 4.079 4.556 -0.691 0.000 0.334 91 H C 0.699 175.912 175.328 -0.191 0.000 1.034 91 H CA 0.634 56.413 56.048 -0.448 0.000 1.420 91 H CB 1.220 30.587 29.762 -0.657 0.000 1.405 91 H HN -0.267 8.014 8.280 0.001 0.000 0.593 92 P HA -0.134 4.234 4.420 -0.087 0.000 0.218 92 P C -0.299 176.982 177.300 -0.032 0.000 1.146 92 P CA 1.763 64.737 63.100 -0.210 0.000 0.813 92 P CB 0.292 31.848 31.700 -0.241 0.000 0.778 93 S N -3.031 112.761 115.700 0.153 0.000 2.574 93 S HA 0.049 4.563 4.470 0.074 0.000 0.242 93 S C -0.850 173.855 174.600 0.175 0.000 0.982 93 S CA -0.452 57.854 58.200 0.177 0.000 0.977 93 S CB 0.661 63.970 63.200 0.181 0.000 0.814 93 S HN -0.395 8.069 8.310 0.318 0.037 0.464 94 Y N 4.836 125.178 120.300 0.069 0.000 2.610 94 Y HA -0.196 4.616 4.550 -0.040 -0.286 0.332 94 Y C -0.907 174.982 175.900 -0.018 0.000 1.201 94 Y CA 0.907 59.003 58.100 -0.006 0.000 1.465 94 Y CB 0.784 39.237 38.460 -0.011 0.000 1.283 94 Y HN -0.565 7.736 8.280 0.300 0.159 0.563 95 N N 7.123 125.436 118.700 -0.645 0.000 2.524 95 N HA 0.247 4.697 4.740 -0.483 0.000 0.261 95 N C -0.188 174.769 175.510 -0.921 0.000 0.998 95 N CA -1.165 51.525 53.050 -0.601 0.000 0.915 95 N CB 1.529 39.842 38.487 -0.291 0.000 1.187 95 N HN -0.168 7.940 8.380 -0.452 0.000 0.507 96 S N 6.837 121.987 115.700 -0.917 0.000 2.474 96 S HA -0.136 3.974 4.470 -0.600 0.000 0.235 96 S C 0.992 175.413 174.600 -0.298 0.000 0.997 96 S CA 2.385 60.255 58.200 -0.551 0.000 0.949 96 S CB -0.207 62.867 63.200 -0.210 0.000 0.766 96 S HN 0.759 8.633 8.310 -0.727 0.000 0.517 97 N N 1.542 120.071 118.700 -0.286 0.000 2.207 97 N HA -0.030 4.595 4.740 -0.191 0.000 0.182 97 N C 1.059 176.411 175.510 -0.263 0.000 1.020 97 N CA 2.575 55.492 53.050 -0.220 0.000 0.858 97 N CB 0.621 39.005 38.487 -0.172 0.000 0.991 97 N HN 0.156 8.553 8.380 -0.317 -0.208 0.427 98 T N -4.094 110.296 114.554 -0.273 0.000 3.022 98 T HA 0.071 4.210 4.350 -0.352 0.000 0.250 98 T C 0.092 174.587 174.700 -0.341 0.000 1.060 98 T CA -0.135 61.788 62.100 -0.296 0.000 1.013 98 T CB 1.414 70.168 68.868 -0.190 0.000 0.982 98 T HN -0.627 7.666 8.240 -0.268 -0.213 0.508 99 L N -3.738 117.325 121.223 -0.267 0.000 4.089 99 L HA -0.504 3.936 4.340 0.047 -0.072 0.408 99 L C -1.876 175.032 176.870 0.062 0.000 1.184 99 L CA 0.440 55.233 54.840 -0.078 0.000 0.947 99 L CB -2.730 39.214 42.059 -0.192 0.000 2.066 99 L HN -0.205 7.845 8.230 -0.301 0.000 0.851 100 N N -0.801 117.891 118.700 -0.014 0.000 2.520 100 N HA -0.138 4.662 4.740 0.100 0.000 0.273 100 N C -0.117 175.449 175.510 0.093 0.000 1.155 100 N CA 0.557 53.637 53.050 0.050 0.000 0.967 100 N CB 1.179 39.666 38.487 0.000 0.000 1.092 100 N HN -0.784 7.484 8.380 -0.116 0.042 0.457 101 N N -0.735 118.015 118.700 0.082 0.000 2.756 101 N HA -0.469 4.204 4.740 -0.111 0.000 0.248 101 N C -1.419 174.060 175.510 -0.052 0.000 1.062 101 N CA 1.349 54.344 53.050 -0.091 0.000 0.696 101 N CB -1.482 36.860 38.487 -0.241 0.000 0.946 101 N HN 0.625 9.075 8.380 0.117 0.000 0.548 102 D N -0.740 119.674 120.400 0.024 0.000 2.551 102 D HA 0.075 4.676 4.640 -0.065 0.000 0.223 102 D C -2.060 174.146 176.300 -0.157 0.000 1.144 102 D CA -0.338 53.666 54.000 0.007 0.000 1.025 102 D CB -0.698 40.216 40.800 0.191 0.000 1.085 102 D HN -0.044 8.359 8.370 0.056 0.000 0.506 103 I N 1.699 122.107 120.570 -0.271 0.000 2.827 103 I HA 0.761 5.044 4.170 -0.114 -0.181 0.298 103 I C -3.068 173.010 176.117 -0.066 0.000 1.235 103 I CA -1.573 59.610 61.300 -0.195 0.000 1.021 103 I CB 3.806 41.579 38.000 -0.379 0.000 1.259 103 I HN -0.274 7.715 8.210 -0.303 0.039 0.427 104 M N 3.894 123.541 119.600 0.079 0.000 2.520 104 M HA 0.792 5.591 4.480 0.322 -0.127 0.283 104 M C -2.755 173.697 176.300 0.252 0.000 1.237 104 M CA -1.003 54.419 55.300 0.202 0.000 0.885 104 M CB 4.668 37.334 32.600 0.110 0.000 1.727 104 M HN 0.519 8.848 8.290 0.066 0.000 0.468 105 L N 0.038 121.443 121.223 0.303 0.000 2.346 105 L HA 0.920 5.602 4.340 0.264 -0.183 0.274 105 L C -1.293 175.777 176.870 0.333 0.000 1.007 105 L CA -1.477 53.543 54.840 0.300 0.000 0.818 105 L CB 3.561 45.747 42.059 0.211 0.000 1.284 105 L HN 0.454 8.893 8.230 0.349 0.000 0.424 106 I N 1.015 121.766 120.570 0.300 0.000 2.466 106 I HA 0.512 4.905 4.170 0.104 -0.160 0.289 106 I C -1.771 174.283 176.117 -0.106 0.000 1.026 106 I CA -1.251 60.116 61.300 0.113 0.000 1.078 106 I CB 3.212 41.253 38.000 0.068 0.000 1.249 106 I HN 0.879 9.290 8.210 0.336 0.000 0.429 107 K N 6.576 126.720 120.400 -0.428 0.000 2.159 107 K HA 0.663 4.381 4.320 -1.274 -0.163 0.266 107 K C -1.082 175.239 176.600 -0.464 0.000 0.975 107 K CA -2.042 53.663 56.287 -0.970 0.000 0.865 107 K CB 3.255 34.970 32.500 -1.308 0.000 1.087 107 K HN 0.705 8.798 8.250 -0.262 0.000 0.446 108 L N 4.535 125.507 121.223 -0.419 0.000 2.375 108 L HA 0.172 4.521 4.340 -0.165 -0.108 0.271 108 L C 1.764 178.514 176.870 -0.200 0.000 1.107 108 L CA 0.066 54.773 54.840 -0.221 0.000 0.806 108 L CB 0.360 42.327 42.059 -0.152 0.000 1.146 108 L HN 0.543 8.442 8.230 -0.551 0.000 0.447 109 K N 2.311 122.636 120.400 -0.126 0.000 2.211 109 K HA -0.229 4.025 4.320 -0.110 0.000 0.203 109 K C 0.137 176.689 176.600 -0.080 0.000 1.050 109 K CA 2.394 58.623 56.287 -0.096 0.000 0.945 109 K CB 0.343 32.806 32.500 -0.062 0.000 0.732 109 K HN 0.610 8.799 8.250 -0.102 0.000 0.451 110 S N -3.465 112.193 115.700 -0.071 0.000 2.570 110 S HA 0.141 4.582 4.470 -0.048 0.000 0.286 110 S C -1.861 172.707 174.600 -0.052 0.000 1.099 110 S CA -1.034 57.136 58.200 -0.050 0.000 0.913 110 S CB 2.131 65.312 63.200 -0.032 0.000 1.085 110 S HN -0.409 7.832 8.310 -0.073 0.025 0.480 111 A N 1.831 124.629 122.820 -0.037 0.000 2.371 111 A HA 0.011 4.448 4.320 -0.038 -0.141 0.257 111 A C -0.780 176.796 177.584 -0.012 0.000 1.089 111 A CA 0.034 52.056 52.037 -0.025 0.000 0.794 111 A CB 0.742 19.738 19.000 -0.008 0.000 1.029 111 A HN 0.183 8.314 8.150 -0.030 0.000 0.488 112 A N 1.812 124.631 122.820 -0.002 0.000 2.313 112 A HA 0.182 4.579 4.320 0.001 -0.076 0.261 112 A C -0.478 177.112 177.584 0.010 0.000 1.090 112 A CA -0.972 51.069 52.037 0.007 0.000 0.807 112 A CB 1.165 20.178 19.000 0.021 0.000 1.055 112 A HN 0.322 8.358 8.150 -0.001 0.114 0.492 113 S N 0.242 115.946 115.700 0.007 0.000 2.422 113 S HA 0.130 4.605 4.470 0.009 0.000 0.308 113 S C -1.014 173.595 174.600 0.015 0.000 1.097 113 S CA -0.484 57.720 58.200 0.007 0.000 1.099 113 S CB 0.529 63.728 63.200 -0.003 0.000 0.976 113 S HN 0.113 8.802 8.310 0.004 -0.377 0.471 114 L N 6.700 127.936 121.223 0.021 0.000 2.350 114 L HA 0.104 4.586 4.340 0.033 -0.122 0.275 114 L C -0.447 176.436 176.870 0.023 0.000 1.099 114 L CA -0.193 54.664 54.840 0.029 0.000 0.808 114 L CB 0.450 42.531 42.059 0.036 0.000 1.149 114 L HN 0.335 8.578 8.230 0.021 0.000 0.442 115 N N 3.169 121.884 118.700 0.024 0.000 3.449 115 N HA 0.192 4.942 4.740 0.018 0.000 0.312 115 N C -0.494 175.030 175.510 0.023 0.000 1.582 115 N CA -0.561 52.500 53.050 0.019 0.000 0.850 115 N CB 0.943 39.436 38.487 0.010 0.000 1.822 115 N HN 0.436 8.723 8.380 0.030 0.111 0.577 116 S N -1.955 113.756 115.700 0.018 0.000 2.419 116 S HA -0.334 4.151 4.470 0.026 0.000 0.233 116 S C 0.667 175.279 174.600 0.019 0.000 1.016 116 S CA 3.020 61.232 58.200 0.020 0.000 0.974 116 S CB -0.384 62.825 63.200 0.015 0.000 0.786 116 S HN 0.291 8.610 8.310 0.014 0.000 0.492 117 R N -0.855 119.654 120.500 0.015 0.000 2.254 117 R HA 0.050 4.394 4.340 0.007 0.000 0.195 117 R C -1.301 175.010 176.300 0.018 0.000 0.957 117 R CA 0.806 56.913 56.100 0.012 0.000 1.024 117 R CB 1.211 31.517 30.300 0.009 0.000 0.952 117 R HN -0.086 8.447 8.270 0.013 -0.255 0.484 118 V N -1.358 118.572 119.914 0.027 0.000 2.447 118 V HA 0.253 4.584 4.120 0.043 -0.185 0.292 118 V C -2.024 174.104 176.094 0.057 0.000 1.021 118 V CA -1.193 61.132 62.300 0.041 0.000 0.850 118 V CB 2.227 34.072 31.823 0.036 0.000 1.005 118 V HN -0.509 7.734 8.190 0.025 -0.037 0.426 119 A N 7.091 129.961 122.820 0.084 0.000 2.527 119 A HA 0.638 5.007 4.320 0.082 0.000 0.293 119 A C -2.818 174.858 177.584 0.152 0.000 1.117 119 A CA -1.728 50.372 52.037 0.105 0.000 0.723 119 A CB 2.930 21.995 19.000 0.109 0.000 1.313 119 A HN 0.018 8.100 8.150 0.088 0.121 0.411 120 S N -1.878 113.898 115.700 0.127 0.000 2.713 120 S HA 0.712 5.419 4.470 0.166 -0.137 0.283 120 S C -0.910 173.746 174.600 0.093 0.000 1.161 120 S CA -1.158 57.118 58.200 0.127 0.000 0.999 120 S CB 1.983 65.236 63.200 0.088 0.000 1.039 120 S HN -0.038 8.331 8.310 0.098 0.000 0.548 121 I N 0.366 120.947 120.570 0.019 0.000 2.562 121 I HA 0.239 4.335 4.170 -0.122 0.000 0.301 121 I C -1.514 174.555 176.117 -0.080 0.000 1.003 121 I CA -1.907 59.307 61.300 -0.143 0.000 1.127 121 I CB 3.782 41.492 38.000 -0.484 0.000 1.304 121 I HN 0.323 8.560 8.210 0.045 0.000 0.446 122 S N 6.069 121.718 115.700 -0.084 0.000 2.584 122 S HA 0.218 4.672 4.470 -0.027 0.000 0.273 122 S C -0.754 173.818 174.600 -0.046 0.000 1.311 122 S CA 0.174 58.346 58.200 -0.047 0.000 1.034 122 S CB 0.767 63.944 63.200 -0.038 0.000 0.939 122 S HN 0.368 8.613 8.310 -0.109 0.000 0.513 123 L N 2.489 123.699 121.223 -0.022 0.000 2.399 123 L HA 0.231 4.570 4.340 -0.001 0.000 0.266 123 L C -1.350 175.516 176.870 -0.006 0.000 1.114 123 L CA -2.564 52.274 54.840 -0.004 0.000 0.804 123 L CB 0.463 42.527 42.059 0.008 0.000 1.146 123 L HN 0.246 8.466 8.230 -0.017 0.000 0.451 124 P HA 0.117 4.527 4.420 -0.016 0.000 0.276 124 P C -1.122 176.178 177.300 -0.001 0.000 1.244 124 P CA -0.541 62.556 63.100 -0.004 0.000 0.801 124 P CB 0.475 32.175 31.700 -0.001 0.000 1.006 128 c N 1.115 119.691 118.600 -0.039 0.000 2.459 128 c HA 0.124 4.658 4.570 -0.059 0.000 0.374 128 c C 0.204 174.238 174.090 -0.093 0.000 1.241 128 c CA -0.176 56.115 56.329 -0.063 0.000 2.352 128 c CB 0.327 42.804 42.510 -0.054 0.000 2.490 128 c HN -0.035 8.174 8.230 -0.035 0.000 0.583 129 A N 2.464 125.196 122.820 -0.147 0.000 2.302 129 A HA 0.046 4.296 4.320 -0.117 0.000 0.285 129 A C -0.857 176.623 177.584 -0.173 0.000 1.105 129 A CA -0.211 51.728 52.037 -0.162 0.000 0.816 129 A CB 0.940 19.813 19.000 -0.211 0.000 1.067 129 A HN 0.079 8.121 8.150 -0.180 0.000 0.489 133 G N 0.805 109.557 108.800 -0.080 0.000 2.234 133 G HA2 -0.308 3.613 3.960 -0.064 0.000 0.235 133 G HA3 -0.308 3.620 3.960 -0.053 0.000 0.235 133 G C -0.287 174.569 174.900 -0.072 0.000 0.997 133 G CA -0.047 45.013 45.100 -0.066 0.000 0.623 133 G HN 0.672 8.788 8.290 -0.088 0.121 0.514 134 T N 4.155 118.654 114.554 -0.092 0.000 2.916 134 T HA -0.098 4.212 4.350 -0.067 0.000 0.303 134 T C -0.706 173.942 174.700 -0.087 0.000 1.025 134 T CA 2.053 64.100 62.100 -0.088 0.000 1.142 134 T CB 0.491 69.290 68.868 -0.115 0.000 0.947 134 T HN -0.492 7.604 8.240 -0.109 0.079 0.544 135 Q N 4.509 124.274 119.800 -0.058 0.000 2.235 135 Q HA 0.141 4.573 4.340 -0.057 -0.125 0.250 135 Q C -0.845 175.132 176.000 -0.040 0.000 0.909 135 Q CA 0.076 55.853 55.803 -0.042 0.000 0.910 135 Q CB 1.588 30.321 28.738 -0.008 0.000 1.223 135 Q HN 0.240 8.482 8.270 -0.047 0.000 0.432 136 c N 0.526 119.104 118.600 -0.037 0.000 3.108 136 c HA 0.597 5.258 4.570 -0.022 -0.105 0.321 136 c C -1.716 172.377 174.090 0.006 0.000 1.357 136 c CA -1.400 54.911 56.329 -0.029 0.000 1.562 136 c CB 4.336 46.808 42.510 -0.062 0.000 2.003 136 c HN 0.810 8.902 8.230 -0.039 0.114 0.460 137 L N 0.648 121.883 121.223 0.020 0.000 2.325 137 L HA 0.749 5.277 4.340 0.051 -0.158 0.281 137 L C -2.252 174.634 176.870 0.027 0.000 1.004 137 L CA -1.219 53.647 54.840 0.044 0.000 0.823 137 L CB 3.172 45.280 42.059 0.082 0.000 1.236 137 L HN 0.658 8.786 8.230 0.013 0.110 0.415 138 I N 7.726 128.297 120.570 0.002 0.000 2.474 138 I HA 0.828 5.230 4.170 0.021 -0.220 0.294 138 I C -1.392 174.697 176.117 -0.047 0.000 1.005 138 I CA -1.497 59.802 61.300 -0.001 0.000 1.113 138 I CB 2.497 40.499 38.000 0.003 0.000 1.289 138 I HN 1.015 9.226 8.210 0.003 0.000 0.436 139 S N 2.996 118.665 115.700 -0.052 0.000 2.588 139 S HA 1.033 5.545 4.470 -0.213 -0.169 0.275 139 S C -1.129 173.363 174.600 -0.181 0.000 1.130 139 S CA -1.801 56.295 58.200 -0.173 0.000 0.855 139 S CB 3.770 66.827 63.200 -0.238 0.000 1.116 139 S HN -0.207 8.105 8.310 0.004 0.000 0.472 140 G N -0.970 107.638 108.800 -0.321 0.000 2.316 140 G HA2 0.177 3.928 3.960 -0.349 0.000 0.296 140 G HA3 0.177 4.261 3.960 -0.034 -0.144 0.296 140 G C -2.364 172.348 174.900 -0.312 0.000 1.399 140 G CA 0.604 45.550 45.100 -0.256 0.000 0.833 140 G HN 0.366 8.413 8.290 -0.404 0.000 0.565 141 W N 1.305 122.586 121.300 -0.032 0.000 3.015 141 W HA 0.399 5.021 4.660 -0.063 0.000 0.429 141 W C -0.330 176.241 176.519 0.086 0.000 0.976 141 W CA -0.956 56.342 57.345 -0.079 0.000 2.086 141 W CB -0.010 29.230 29.460 -0.367 0.000 1.125 141 W HN 0.583 8.973 8.180 0.351 0.000 0.721 142 G N 0.666 109.624 108.800 0.262 0.000 2.557 142 G HA2 0.009 4.261 3.960 0.478 0.000 0.292 142 G HA3 0.009 4.270 3.960 0.214 -0.173 0.292 142 G C -0.934 173.943 174.900 -0.038 0.000 1.237 142 G CA -0.964 44.285 45.100 0.248 0.000 0.978 142 G HN -0.392 8.150 8.290 0.162 -0.155 0.498 143 N N -0.367 118.131 118.700 -0.336 0.000 2.294 143 N HA -0.313 3.972 4.740 -1.048 -0.174 0.248 143 N C 0.749 176.109 175.510 -0.250 0.000 1.242 143 N CA 1.309 53.982 53.050 -0.629 0.000 0.848 143 N CB 0.579 38.739 38.487 -0.544 0.000 1.084 143 N HN 0.035 8.323 8.380 -0.154 0.000 0.457 144 T N -0.150 114.275 114.554 -0.215 0.000 3.092 144 T HA 0.172 4.592 4.350 -0.078 -0.116 0.258 144 T C -0.023 174.633 174.700 -0.073 0.000 1.031 144 T CA 0.201 62.240 62.100 -0.102 0.000 0.925 144 T CB 1.245 70.072 68.868 -0.069 0.000 1.036 144 T HN 0.293 8.367 8.240 -0.276 0.000 0.544 145 K N 1.711 122.058 120.400 -0.088 0.000 2.270 145 K HA 0.364 4.665 4.320 -0.031 0.000 0.255 145 K C -0.330 176.252 176.600 -0.031 0.000 0.936 145 K CA -2.165 54.094 56.287 -0.046 0.000 0.809 145 K CB 2.303 34.779 32.500 -0.040 0.000 1.131 145 K HN -0.711 7.656 8.250 -0.138 -0.199 0.427 146 S N 2.131 117.825 115.700 -0.011 0.000 2.371 146 S HA -0.195 4.348 4.470 0.007 -0.069 0.224 146 S C 0.009 174.614 174.600 0.008 0.000 1.029 146 S CA 2.332 60.535 58.200 0.004 0.000 0.978 146 S CB 0.509 63.715 63.200 0.011 0.000 0.833 146 S HN 0.287 8.592 8.310 -0.009 0.000 0.466 147 S N 0.927 116.631 115.700 0.006 0.000 2.406 147 S HA 0.141 4.621 4.470 0.016 0.000 0.224 147 S C -0.961 173.643 174.600 0.008 0.000 1.426 147 S CA -0.561 57.645 58.200 0.011 0.000 1.179 147 S CB 0.242 63.449 63.200 0.012 0.000 1.042 147 S HN -0.400 7.911 8.310 0.002 0.000 0.479 148 G N 2.924 111.729 108.800 0.009 0.000 2.369 148 G HA2 -0.151 3.821 3.960 0.021 0.000 0.293 148 G HA3 -0.151 3.813 3.960 0.007 0.000 0.293 148 G C -2.738 172.165 174.900 0.004 0.000 1.301 148 G CA -0.170 44.937 45.100 0.011 0.000 0.913 148 G HN -0.343 7.953 8.290 0.011 0.000 0.540 149 T N -0.250 114.314 114.554 0.016 0.000 2.881 149 T HA 0.162 4.647 4.350 -0.056 -0.168 0.291 149 T C -1.536 173.174 174.700 0.017 0.000 0.990 149 T CA -0.214 61.897 62.100 0.019 0.000 0.976 149 T CB 2.199 71.141 68.868 0.122 0.000 0.970 149 T HN -0.098 8.157 8.240 0.026 0.000 0.438 150 S N 5.801 121.450 115.700 -0.085 0.000 2.706 150 S HA 0.214 4.733 4.470 0.081 0.000 0.270 150 S C -2.251 172.276 174.600 -0.121 0.000 1.163 150 S CA 0.361 58.551 58.200 -0.016 0.000 1.042 150 S CB 1.174 64.362 63.200 -0.021 0.000 1.079 150 S HN 0.626 9.160 8.310 -0.258 -0.380 0.474 151 Y N 5.883 126.217 120.300 0.056 0.000 2.328 151 Y HA 0.248 4.848 4.550 0.084 0.000 0.337 151 Y C -1.212 174.732 175.900 0.074 0.000 1.008 151 Y CA -2.697 55.448 58.100 0.074 0.000 1.129 151 Y CB 0.836 39.344 38.460 0.081 0.000 1.185 151 Y HN 0.154 8.619 8.280 0.309 0.000 0.476 152 P HA 0.243 4.739 4.420 0.126 0.000 0.278 152 P C -1.811 175.619 177.300 0.216 0.000 1.266 152 P CA -1.101 62.096 63.100 0.162 0.000 0.807 152 P CB 2.288 34.054 31.700 0.109 0.000 1.094 153 D N -2.861 117.648 120.400 0.182 0.000 2.423 153 D HA 0.046 4.758 4.640 0.121 0.000 0.212 153 D C -0.954 175.515 176.300 0.282 0.000 1.060 153 D CA 0.785 54.882 54.000 0.163 0.000 0.872 153 D CB 1.027 41.880 40.800 0.088 0.000 1.012 153 D HN 0.363 8.819 8.370 0.144 0.000 0.503 154 V N -7.091 112.985 119.914 0.270 0.000 2.850 154 V HA 0.554 5.143 4.120 0.403 -0.228 0.315 154 V C -0.906 175.248 176.094 0.099 0.000 1.064 154 V CA -2.846 59.611 62.300 0.262 0.000 0.979 154 V CB 2.142 34.034 31.823 0.115 0.000 1.039 154 V HN -0.950 7.354 8.190 0.190 0.000 0.452 155 L N 2.008 123.148 121.223 -0.139 0.000 2.455 155 L HA -0.031 3.550 4.340 -1.264 0.000 0.272 155 L C -0.326 176.298 176.870 -0.409 0.000 1.174 155 L CA 0.704 55.132 54.840 -0.687 0.000 0.869 155 L CB 0.685 42.308 42.059 -0.726 0.000 1.130 155 L HN -0.141 8.302 8.230 0.049 -0.184 0.474 156 K N 5.644 125.780 120.400 -0.441 0.000 2.203 156 K HA 0.652 4.937 4.320 -0.324 -0.159 0.251 156 K C -1.210 175.140 176.600 -0.416 0.000 0.944 156 K CA -2.522 53.559 56.287 -0.344 0.000 0.829 156 K CB 2.427 34.792 32.500 -0.225 0.000 1.125 156 K HN -0.165 7.750 8.250 -0.559 0.000 0.430 157 c N -0.033 118.221 118.600 -0.576 0.000 2.614 157 c HA 0.987 5.498 4.570 -0.395 -0.178 0.320 157 c C -1.747 171.990 174.090 -0.590 0.000 1.200 157 c CA -0.858 55.082 56.329 -0.649 0.000 1.700 157 c CB 3.618 45.572 42.510 -0.928 0.000 2.275 157 c HN 0.848 8.560 8.230 -0.684 0.108 0.492 158 L N 0.950 122.025 121.223 -0.245 0.000 2.543 158 L HA 0.440 4.825 4.340 0.074 0.000 0.265 158 L C -2.605 174.327 176.870 0.103 0.000 0.945 158 L CA 0.279 55.118 54.840 -0.000 0.000 0.869 158 L CB 4.337 46.414 42.059 0.030 0.000 1.294 158 L HN 0.774 8.891 8.230 -0.188 0.000 0.405 159 K N 6.455 126.978 120.400 0.205 0.000 2.183 159 K HA 0.947 5.569 4.320 0.115 -0.233 0.274 159 K C -0.927 175.796 176.600 0.206 0.000 1.009 159 K CA -0.960 55.429 56.287 0.170 0.000 0.888 159 K CB 1.786 34.392 32.500 0.177 0.000 1.078 159 K HN 0.316 8.728 8.250 0.270 0.000 0.459 160 A N 3.418 126.294 122.820 0.094 0.000 2.574 160 A HA 0.637 4.941 4.320 -0.027 0.000 0.297 160 A C -3.460 174.048 177.584 -0.127 0.000 1.062 160 A CA -2.401 49.617 52.037 -0.031 0.000 0.686 160 A CB 2.965 21.952 19.000 -0.022 0.000 1.285 160 A HN 0.768 8.945 8.150 0.044 0.000 0.403 161 P HA 0.743 5.297 4.420 -0.119 -0.205 0.285 161 P C -1.105 176.109 177.300 -0.144 0.000 1.269 161 P CA -1.499 61.502 63.100 -0.164 0.000 0.844 161 P CB 1.716 33.320 31.700 -0.159 0.000 1.094 162 I N -0.436 120.061 120.570 -0.121 0.000 2.529 162 I HA -0.059 4.216 4.170 0.002 -0.104 0.284 162 I C 0.234 176.316 176.117 -0.059 0.000 1.082 162 I CA 0.582 61.828 61.300 -0.090 0.000 1.406 162 I CB 0.392 38.254 38.000 -0.231 0.000 1.405 162 I HN 0.120 8.252 8.210 -0.130 0.000 0.548 163 L N 6.203 127.429 121.223 0.006 0.000 2.387 163 L HA 0.274 4.596 4.340 -0.029 0.000 0.266 163 L C -0.463 176.417 176.870 0.018 0.000 1.059 163 L CA -1.023 53.819 54.840 0.002 0.000 0.801 163 L CB 0.751 42.825 42.059 0.025 0.000 1.223 163 L HN 0.206 8.486 8.230 0.084 0.000 0.456 164 S N -0.456 115.250 115.700 0.009 0.000 2.579 164 S HA -0.048 4.424 4.470 0.003 0.000 0.275 164 S C 0.599 175.222 174.600 0.038 0.000 1.345 164 S CA -0.645 57.563 58.200 0.013 0.000 1.031 164 S CB 1.158 64.362 63.200 0.006 0.000 0.892 164 S HN 0.128 8.439 8.310 0.002 0.000 0.529 165 D N 2.585 123.010 120.400 0.041 0.000 2.178 165 D HA -0.248 4.442 4.640 0.083 0.000 0.202 165 D C 1.906 178.238 176.300 0.053 0.000 0.974 165 D CA 3.620 57.656 54.000 0.060 0.000 0.841 165 D CB -0.373 40.460 40.800 0.055 0.000 0.953 165 D HN 0.528 8.915 8.370 0.028 0.000 0.478 166 S N -0.539 115.182 115.700 0.036 0.000 2.368 166 S HA -0.333 4.158 4.470 0.035 0.000 0.225 166 S C 1.935 176.553 174.600 0.030 0.000 1.030 166 S CA 3.475 61.694 58.200 0.031 0.000 0.999 166 S CB -0.287 62.925 63.200 0.019 0.000 0.844 166 S HN 0.160 8.472 8.310 0.029 0.015 0.459 167 S N 2.250 117.966 115.700 0.026 0.000 2.406 167 S HA -0.168 4.307 4.470 0.008 0.000 0.228 167 S C 2.024 176.641 174.600 0.029 0.000 1.020 167 S CA 3.032 61.243 58.200 0.018 0.000 0.965 167 S CB -0.275 62.933 63.200 0.013 0.000 0.798 167 S HN -0.466 7.860 8.310 0.026 0.000 0.488 168 c N 3.765 122.402 118.600 0.061 0.000 2.453 168 c HA -0.236 4.404 4.570 0.117 0.000 0.277 168 c C 1.971 176.143 174.090 0.136 0.000 1.262 168 c CA 2.828 59.223 56.329 0.109 0.000 1.718 168 c CB -1.826 40.754 42.510 0.118 0.000 2.031 168 c HN -0.347 7.815 8.230 0.059 0.103 0.480 169 K N -0.935 119.528 120.400 0.105 0.000 2.148 169 K HA -0.304 4.111 4.320 0.159 0.000 0.204 169 K C 2.147 178.792 176.600 0.074 0.000 1.050 169 K CA 3.103 59.456 56.287 0.110 0.000 0.942 169 K CB -0.053 32.497 32.500 0.082 0.000 0.724 169 K HN 0.266 8.460 8.250 0.085 0.107 0.446 170 S N -1.073 114.647 115.700 0.033 0.000 2.428 170 S HA -0.231 4.247 4.470 0.013 0.000 0.230 170 S C 0.792 175.363 174.600 -0.049 0.000 1.014 170 S CA 2.816 61.017 58.200 0.001 0.000 0.957 170 S CB -0.068 63.128 63.200 -0.006 0.000 0.784 170 S HN -0.259 8.070 8.310 0.032 0.000 0.499 171 A N -0.682 122.075 122.820 -0.105 0.000 1.929 171 A HA -0.089 4.064 4.320 -0.278 0.000 0.216 171 A C -0.933 176.364 177.584 -0.479 0.000 1.176 171 A CA 1.772 53.603 52.037 -0.342 0.000 0.628 171 A CB 0.860 19.562 19.000 -0.495 0.000 0.816 171 A HN -0.766 7.332 8.150 -0.051 0.021 0.444 172 Y N -5.144 115.194 120.300 0.065 0.000 2.747 172 Y HA 0.443 5.068 4.550 0.126 0.000 0.362 172 Y C -2.542 173.421 175.900 0.106 0.000 1.026 172 Y CA -3.091 55.082 58.100 0.122 0.000 1.135 172 Y CB -0.127 38.458 38.460 0.208 0.000 1.175 172 Y HN -0.591 7.736 8.280 0.078 0.000 0.643 173 P HA 0.021 4.612 4.420 0.103 -0.110 0.264 173 P C 0.491 177.860 177.300 0.115 0.000 1.193 173 P CA 0.380 63.546 63.100 0.110 0.000 0.763 173 P CB 0.217 31.956 31.700 0.063 0.000 0.810 174 G N 5.111 113.969 108.800 0.097 0.000 2.166 174 G HA2 -0.244 3.754 3.960 0.063 0.000 0.260 174 G HA3 -0.244 3.750 3.960 0.056 0.000 0.260 174 G C 0.046 174.997 174.900 0.086 0.000 0.986 174 G CA 0.896 46.040 45.100 0.075 0.000 0.683 174 G HN 0.456 8.801 8.290 0.092 0.000 0.527 175 Q N -2.436 117.453 119.800 0.147 0.000 2.245 175 Q HA 0.085 4.464 4.340 0.064 0.000 0.236 175 Q C -0.372 175.760 176.000 0.219 0.000 0.842 175 Q CA -0.266 55.629 55.803 0.154 0.000 0.945 175 Q CB 1.647 30.518 28.738 0.221 0.000 1.122 175 Q HN -0.326 8.007 8.270 0.189 0.051 0.506 176 I N 0.277 120.972 120.570 0.209 0.000 2.353 176 I HA 0.034 4.342 4.170 0.230 0.000 0.293 176 I C -0.045 176.147 176.117 0.125 0.000 0.992 176 I CA -2.040 59.370 61.300 0.185 0.000 1.268 176 I CB -0.648 37.450 38.000 0.163 0.000 1.387 176 I HN -0.538 7.786 8.210 0.191 0.000 0.478 177 T N 2.313 116.937 114.554 0.118 0.000 2.919 177 T HA 0.373 4.764 4.350 0.069 0.000 0.282 177 T C 0.694 175.443 174.700 0.082 0.000 1.020 177 T CA -2.088 60.062 62.100 0.083 0.000 0.994 177 T CB 2.505 71.416 68.868 0.071 0.000 1.180 177 T HN -0.395 7.930 8.240 0.142 0.000 0.566 178 S N -2.114 113.621 115.700 0.059 0.000 2.555 178 S HA -0.178 4.330 4.470 0.063 0.000 0.230 178 S C 0.187 174.825 174.600 0.062 0.000 0.978 178 S CA 1.949 60.180 58.200 0.052 0.000 0.934 178 S CB -0.227 62.985 63.200 0.020 0.000 0.766 178 S HN 0.265 8.602 8.310 0.045 0.000 0.533 179 N N 0.026 118.775 118.700 0.082 0.000 2.276 179 N HA 0.169 4.962 4.740 0.088 0.000 0.212 179 N C -1.729 173.888 175.510 0.179 0.000 1.127 179 N CA -0.304 52.822 53.050 0.126 0.000 0.834 179 N CB 0.791 39.375 38.487 0.162 0.000 1.014 179 N HN -0.547 7.807 8.380 0.082 0.075 0.491 180 M N -1.349 118.341 119.600 0.150 0.000 2.593 180 M HA 0.781 5.497 4.480 0.054 -0.203 0.290 180 M C -2.281 174.116 176.300 0.162 0.000 1.244 180 M CA -0.336 55.023 55.300 0.098 0.000 0.857 180 M CB 5.106 37.740 32.600 0.056 0.000 1.738 180 M HN -0.754 7.527 8.290 0.136 0.090 0.461 181 F N -5.249 114.736 119.950 0.059 0.000 2.645 181 F HA 0.630 5.179 4.527 0.038 0.000 0.310 181 F C -2.582 173.264 175.800 0.077 0.000 1.102 181 F CA -2.108 55.925 58.000 0.055 0.000 0.952 181 F CB 2.301 41.332 39.000 0.052 0.000 1.326 181 F HN 0.075 8.219 8.300 -0.260 0.000 0.456 182 c N -0.084 118.690 118.600 0.290 0.000 2.391 182 c HA 1.004 5.830 4.570 0.104 -0.194 0.339 182 c C -1.130 173.168 174.090 0.347 0.000 1.205 182 c CA -1.073 55.379 56.329 0.206 0.000 1.937 182 c CB 2.885 45.472 42.510 0.128 0.000 2.341 182 c HN 0.853 9.287 8.230 0.339 0.000 0.516 183 A N 2.774 125.782 122.820 0.313 0.000 2.446 183 A HA 0.652 5.152 4.320 0.083 -0.131 0.282 183 A C -2.306 175.329 177.584 0.086 0.000 1.102 183 A CA -0.568 51.554 52.037 0.141 0.000 0.737 183 A CB 2.734 21.717 19.000 -0.029 0.000 1.212 183 A HN 0.352 8.734 8.150 0.387 0.000 0.434 184 Y N 2.746 123.080 120.300 0.056 0.000 2.404 184 Y HA -0.103 4.468 4.550 0.034 0.000 0.344 184 Y C 1.139 177.058 175.900 0.031 0.000 0.995 184 Y CA -0.831 57.292 58.100 0.038 0.000 1.201 184 Y CB 0.357 38.837 38.460 0.033 0.000 1.151 184 Y HN 0.205 8.618 8.280 0.223 0.000 0.517 185 L N 4.524 125.820 121.223 0.121 0.000 2.265 185 L HA -0.370 4.003 4.340 0.056 0.000 0.215 185 L C 1.275 178.192 176.870 0.077 0.000 1.117 185 L CA 2.564 57.447 54.840 0.071 0.000 0.782 185 L CB -0.378 41.703 42.059 0.037 0.000 0.914 185 L HN 0.631 8.915 8.230 0.090 0.000 0.441 186 E N -2.656 117.609 120.200 0.108 0.000 2.204 186 E HA -0.131 4.249 4.350 0.049 0.000 0.194 186 E C 0.707 177.345 176.600 0.063 0.000 0.989 186 E CA 0.904 57.347 56.400 0.072 0.000 0.824 186 E CB 0.077 29.819 29.700 0.070 0.000 0.756 186 E HN 0.260 8.679 8.360 0.154 0.033 0.477 187 G N -0.842 108.016 108.800 0.096 0.000 3.439 187 G HA2 -0.338 3.753 3.960 0.096 0.000 0.686 187 G HA3 -0.338 3.690 3.960 0.050 -0.038 0.686 187 G C -0.995 173.931 174.900 0.044 0.000 1.075 187 G CA -0.314 44.831 45.100 0.074 0.000 0.926 187 G HN -0.556 7.675 8.290 0.153 0.150 0.485 188 K N 2.150 122.551 120.400 0.002 0.000 6.706 188 K HA -0.590 4.002 4.320 0.019 -0.260 0.669 188 K C -1.322 175.381 176.600 0.171 0.000 2.465 188 K CA 0.839 57.151 56.287 0.042 0.000 1.801 188 K CB 0.147 32.586 32.500 -0.102 0.000 1.883 188 K HN 0.290 8.564 8.250 0.040 0.000 0.285 189 D N 0.603 121.083 120.400 0.133 0.000 2.764 189 D HA 0.258 5.020 4.640 0.203 0.000 0.293 189 D C -1.875 174.495 176.300 0.117 0.000 1.287 189 D CA -0.604 53.487 54.000 0.152 0.000 0.768 189 D CB 3.707 44.580 40.800 0.121 0.000 1.288 189 D HN 0.137 8.560 8.370 0.089 0.000 0.426 190 S N -1.408 114.376 115.700 0.141 0.000 2.686 190 S HA 0.278 4.861 4.470 0.089 -0.060 0.270 190 S C -1.404 173.240 174.600 0.074 0.000 1.194 190 S CA -0.214 58.056 58.200 0.116 0.000 0.990 190 S CB 1.648 64.958 63.200 0.183 0.000 1.029 190 S HN 0.214 8.631 8.310 0.178 0.000 0.560 191 c N -1.971 116.672 118.600 0.073 0.000 3.272 191 c HA 0.219 4.826 4.570 0.061 0.000 0.363 191 c C -1.544 172.613 174.090 0.112 0.000 1.514 191 c CA -0.402 55.967 56.329 0.067 0.000 1.185 191 c CB 3.040 45.566 42.510 0.027 0.000 1.716 191 c HN 0.252 8.781 8.230 0.089 -0.245 0.440 192 Q N 2.139 122.016 119.800 0.128 0.000 2.283 192 Q HA -0.292 4.172 4.340 0.206 0.000 0.301 192 Q C 0.661 176.836 176.000 0.292 0.000 1.063 192 Q CA 2.123 58.049 55.803 0.205 0.000 0.952 192 Q CB 0.472 29.336 28.738 0.210 0.000 1.166 192 Q HN 0.569 8.898 8.270 0.098 0.000 0.381 193 G N 6.609 115.603 108.800 0.324 0.000 2.259 193 G HA2 -0.402 3.785 3.960 0.378 0.000 0.217 193 G HA3 -0.402 3.902 3.960 0.572 0.000 0.217 193 G C 0.625 175.759 174.900 0.390 0.000 1.001 193 G CA 1.022 46.378 45.100 0.426 0.000 0.627 193 G HN 0.796 9.254 8.290 0.281 0.000 0.501 194 D N 1.557 122.121 120.400 0.272 0.000 2.346 194 D HA 0.079 4.870 4.640 0.251 0.000 0.206 194 D C 0.151 176.560 176.300 0.182 0.000 1.001 194 D CA 0.809 54.939 54.000 0.216 0.000 0.871 194 D CB 0.468 41.358 40.800 0.151 0.000 0.943 194 D HN 0.130 8.542 8.370 0.238 0.101 0.518 195 S N -0.433 115.378 115.700 0.185 0.000 2.599 195 S HA -0.542 4.187 4.470 0.187 -0.146 0.303 195 S C 0.921 175.547 174.600 0.044 0.000 1.267 195 S CA 3.219 61.515 58.200 0.159 0.000 1.055 195 S CB -0.074 63.273 63.200 0.246 0.000 0.790 195 S HN -0.474 7.924 8.310 0.214 0.041 0.500 196 G N 4.590 113.404 108.800 0.024 0.000 2.225 196 G HA2 -0.468 3.544 3.960 -0.015 0.000 0.254 196 G HA3 -0.468 3.572 3.960 -0.055 -0.113 0.254 196 G C -0.142 174.798 174.900 0.067 0.000 0.988 196 G CA 0.240 45.339 45.100 -0.002 0.000 0.625 196 G HN 0.762 8.989 8.290 0.074 0.107 0.527 197 G N 0.852 109.716 108.800 0.107 0.000 2.616 197 G HA2 0.314 4.421 3.960 0.131 0.000 0.268 197 G HA3 0.314 4.351 3.960 0.128 0.000 0.268 197 G C -2.617 172.370 174.900 0.145 0.000 1.213 197 G CA -1.956 43.222 45.100 0.130 0.000 0.926 197 G HN -0.278 7.993 8.290 0.115 0.088 0.523 198 P HA 0.322 4.953 4.420 0.140 -0.128 0.281 198 P C -1.582 175.792 177.300 0.124 0.000 1.249 198 P CA -0.858 62.338 63.100 0.160 0.000 0.810 198 P CB 1.592 33.442 31.700 0.250 0.000 1.008 199 V N 2.158 122.126 119.914 0.089 0.000 2.419 199 V HA 0.302 4.596 4.120 0.003 -0.173 0.287 199 V C -1.285 174.825 176.094 0.027 0.000 1.017 199 V CA -0.467 61.848 62.300 0.026 0.000 0.844 199 V CB 1.884 33.699 31.823 -0.012 0.000 1.011 199 V HN -0.229 8.018 8.190 0.095 0.000 0.429 200 V N 8.105 128.024 119.914 0.009 0.000 2.417 200 V HA 0.649 4.924 4.120 -0.063 -0.193 0.291 200 V C -1.297 174.778 176.094 -0.031 0.000 1.024 200 V CA -1.224 61.052 62.300 -0.040 0.000 0.861 200 V CB 2.806 34.581 31.823 -0.081 0.000 0.985 200 V HN 0.557 8.766 8.190 0.031 0.000 0.436 201 c N 6.705 125.274 118.600 -0.052 0.000 2.482 201 c HA 0.594 5.139 4.570 -0.042 0.000 0.317 201 c C 0.614 174.671 174.090 -0.054 0.000 1.197 201 c CA -1.681 54.614 56.329 -0.058 0.000 1.432 201 c CB 1.922 44.376 42.510 -0.094 0.000 2.062 201 c HN 0.652 8.845 8.230 -0.061 0.000 0.471 202 S N 5.466 121.142 115.700 -0.040 0.000 3.549 202 S HA -0.391 4.066 4.470 -0.023 0.000 0.366 202 S C 0.137 174.716 174.600 -0.035 0.000 1.012 202 S CA 1.261 59.441 58.200 -0.033 0.000 1.141 202 S CB -0.997 62.179 63.200 -0.039 0.000 0.910 202 S HN 1.202 9.492 8.310 -0.032 0.000 0.471 203 G N -4.843 103.936 108.800 -0.036 0.000 2.155 203 G HA2 -0.362 3.569 3.960 -0.048 0.000 0.257 203 G HA3 -0.362 3.578 3.960 -0.033 0.000 0.257 203 G C -0.762 174.091 174.900 -0.078 0.000 0.983 203 G CA 0.393 45.464 45.100 -0.048 0.000 0.676 203 G HN 0.414 8.670 8.290 -0.030 0.017 0.528 210 Q N 1.114 120.942 119.800 0.047 0.000 2.378 210 Q HA 0.218 4.610 4.340 0.088 0.000 0.229 210 Q C -0.280 175.906 176.000 0.310 0.000 0.882 210 Q CA 0.057 55.920 55.803 0.100 0.000 0.936 210 Q CB 2.746 31.462 28.738 -0.037 0.000 1.092 210 Q HN 0.382 8.669 8.270 0.028 0.000 0.535 211 G N -2.887 106.094 108.800 0.302 0.000 2.695 211 G HA2 0.586 5.030 3.960 0.367 0.000 0.290 211 G HA3 0.586 4.784 3.960 0.395 0.000 0.290 211 G C -3.255 171.765 174.900 0.200 0.000 1.410 211 G CA -0.524 44.776 45.100 0.334 0.000 0.844 211 G HN -0.401 8.002 8.290 0.188 0.000 0.478 212 I N -1.472 119.209 120.570 0.185 0.000 2.533 212 I HA 0.571 5.066 4.170 0.166 -0.225 0.290 212 I C -0.504 175.734 176.117 0.203 0.000 1.056 212 I CA -1.405 59.993 61.300 0.163 0.000 1.057 212 I CB 4.457 42.514 38.000 0.096 0.000 1.240 212 I HN -0.424 7.954 8.210 0.154 -0.076 0.423 213 V N 7.179 127.228 119.914 0.225 0.000 2.458 213 V HA -0.224 3.912 4.120 0.025 0.000 0.287 213 V C -1.148 174.976 176.094 0.050 0.000 1.009 213 V CA 2.100 64.476 62.300 0.127 0.000 1.091 213 V CB -1.163 30.764 31.823 0.174 0.000 0.960 213 V HN 0.367 8.680 8.190 0.205 0.000 0.476 214 S N 8.120 123.747 115.700 -0.122 0.000 2.942 214 S HA 0.296 4.980 4.470 0.357 0.000 0.220 214 S C -0.653 174.015 174.600 0.113 0.000 0.945 214 S CA 1.022 59.287 58.200 0.109 0.000 0.851 214 S CB 2.097 65.349 63.200 0.087 0.000 0.820 214 S HN -0.004 8.020 8.310 -0.476 0.000 0.624 215 W N -4.247 116.877 121.300 -0.293 0.000 2.962 215 W HA 0.281 4.809 4.660 -0.220 0.000 0.405 215 W C -2.880 173.461 176.519 -0.297 0.000 1.121 215 W CA -0.694 56.486 57.345 -0.275 0.000 1.164 215 W CB 0.512 29.804 29.460 -0.280 0.000 1.489 215 W HN -0.065 7.799 8.180 -0.528 0.000 0.599 216 G N -2.781 106.084 108.800 0.108 0.000 2.320 216 G HA2 0.141 3.843 3.960 -0.430 0.000 0.296 216 G HA3 0.141 4.046 3.960 -0.091 0.000 0.296 216 G C -2.291 172.746 174.900 0.228 0.000 1.306 216 G CA 0.187 45.249 45.100 -0.064 0.000 0.836 216 G HN -0.023 8.516 8.290 0.416 0.000 0.517 220 c N 2.061 120.697 118.600 0.060 0.000 3.471 220 c HA 0.301 5.052 4.570 0.061 -0.145 0.191 220 c C -1.501 172.619 174.090 0.050 0.000 1.480 220 c CA -0.778 55.583 56.329 0.053 0.000 1.281 220 c CB -1.255 41.277 42.510 0.038 0.000 1.898 220 c HN 0.310 8.572 8.230 0.053 0.000 0.533 221 Q N -1.411 118.422 119.800 0.055 0.000 2.939 221 Q HA 0.127 4.488 4.340 0.034 0.000 0.274 221 Q C -1.620 174.403 176.000 0.038 0.000 0.941 221 Q CA -0.465 55.363 55.803 0.042 0.000 0.824 221 Q CB 2.495 31.258 28.738 0.042 0.000 1.779 221 Q HN 0.218 8.527 8.270 0.064 0.000 0.470 222 K N 2.348 122.763 120.400 0.026 0.000 2.382 222 K HA -0.221 4.248 4.320 0.034 -0.128 0.275 222 K C 0.167 176.768 176.600 0.000 0.000 1.009 222 K CA 1.028 57.328 56.287 0.021 0.000 0.970 222 K CB 0.255 32.763 32.500 0.014 0.000 0.934 222 K HN 0.241 8.505 8.250 0.022 0.000 0.479 223 N N 2.162 120.860 118.700 -0.005 0.000 2.693 223 N HA -0.363 4.357 4.740 -0.033 0.000 0.249 223 N C -1.353 174.093 175.510 -0.108 0.000 1.119 223 N CA 1.876 54.898 53.050 -0.046 0.000 0.717 223 N CB -0.940 37.515 38.487 -0.055 0.000 1.071 223 N HN 0.669 8.940 8.380 0.016 0.118 0.555 224 K N -1.822 118.545 120.400 -0.055 0.000 2.920 224 K HA 0.523 4.688 4.320 -0.259 0.000 0.175 224 K C -2.504 174.145 176.600 0.082 0.000 1.099 224 K CA -3.601 52.654 56.287 -0.052 0.000 0.939 224 K CB 0.616 33.130 32.500 0.022 0.000 1.148 224 K HN -0.786 7.417 8.250 -0.003 0.045 0.613 225 P HA -0.010 4.477 4.420 0.112 0.000 0.274 225 P C -0.628 176.724 177.300 0.087 0.000 1.256 225 P CA -0.478 62.691 63.100 0.114 0.000 0.795 225 P CB 1.208 32.966 31.700 0.097 0.000 1.038 226 G N -2.118 106.710 108.800 0.046 0.000 2.503 226 G HA2 0.266 4.056 3.960 -0.285 0.000 0.257 226 G HA3 0.266 4.180 3.960 -0.188 -0.067 0.257 226 G C -1.756 172.856 174.900 -0.480 0.000 1.214 226 G CA -0.563 44.402 45.100 -0.224 0.000 0.839 226 G HN -0.350 8.023 8.290 0.139 0.000 0.559 227 V N 1.638 120.941 119.914 -1.018 0.000 2.495 227 V HA 0.628 4.518 4.120 -0.672 -0.172 0.298 227 V C -0.998 174.339 176.094 -1.261 0.000 1.031 227 V CA -0.987 60.651 62.300 -1.103 0.000 0.871 227 V CB 2.133 32.843 31.823 -1.854 0.000 0.988 227 V HN 0.487 8.046 8.190 -1.052 0.000 0.432 228 Y N 5.447 125.339 120.300 -0.680 0.000 2.446 228 Y HA 0.607 5.076 4.550 -0.385 -0.150 0.345 228 Y C 0.365 175.951 175.900 -0.523 0.000 0.984 228 Y CA -2.330 55.374 58.100 -0.660 0.000 1.058 228 Y CB 3.486 41.295 38.460 -1.085 0.000 1.220 228 Y HN 1.067 8.969 8.280 -0.630 0.000 0.455 229 T N 5.131 119.629 114.554 -0.093 0.000 2.916 229 T HA -0.061 4.469 4.350 0.073 -0.136 0.303 229 T C -0.591 174.212 174.700 0.172 0.000 1.025 229 T CA 1.937 64.068 62.100 0.053 0.000 1.142 229 T CB 0.471 69.370 68.868 0.052 0.000 0.947 229 T HN 0.472 8.690 8.240 -0.036 0.000 0.544 230 K N 7.992 128.582 120.400 0.316 0.000 2.150 230 K HA 0.189 4.909 4.320 0.665 0.000 0.261 230 K C 1.030 177.880 176.600 0.417 0.000 1.127 230 K CA -0.740 55.820 56.287 0.456 0.000 0.989 230 K CB -0.439 32.290 32.500 0.382 0.000 1.475 230 K HN 0.181 8.512 8.250 0.300 0.098 0.391 231 V N 5.686 125.835 119.914 0.390 0.000 2.453 231 V HA -0.548 3.887 4.120 0.526 0.000 0.252 231 V C 1.348 177.609 176.094 0.279 0.000 1.068 231 V CA 3.900 66.421 62.300 0.369 0.000 1.070 231 V CB -0.302 31.667 31.823 0.243 0.000 0.664 231 V HN 0.184 8.611 8.190 0.395 0.000 0.461 232 c N -3.969 114.731 118.600 0.166 0.000 2.409 232 c HA -0.195 4.423 4.570 0.080 0.000 0.284 232 c C 1.475 175.581 174.090 0.027 0.000 1.354 232 c CA 1.406 57.782 56.329 0.078 0.000 1.787 232 c CB -2.137 40.391 42.510 0.030 0.000 1.900 232 c HN 0.455 8.769 8.230 0.171 0.019 0.520 233 N N 0.769 119.444 118.700 -0.041 0.000 2.463 233 N HA -0.059 4.583 4.740 -0.165 0.000 0.181 233 N C 0.301 175.571 175.510 -0.400 0.000 1.078 233 N CA 1.113 54.001 53.050 -0.271 0.000 0.902 233 N CB 0.016 38.209 38.487 -0.490 0.000 0.970 233 N HN -0.367 7.988 8.380 0.038 0.048 0.451 234 Y N -4.502 115.878 120.300 0.133 0.000 2.531 234 Y HA 0.153 4.860 4.550 0.261 0.000 0.249 234 Y C 0.292 176.338 175.900 0.244 0.000 1.168 234 Y CA -0.745 57.498 58.100 0.237 0.000 1.226 234 Y CB -0.142 38.495 38.460 0.296 0.000 1.177 234 Y HN -0.143 8.067 8.280 0.181 0.179 0.527 235 V N 1.294 121.349 119.914 0.235 0.000 2.332 235 V HA -0.565 3.641 4.120 0.143 0.000 0.248 235 V C 1.640 177.799 176.094 0.109 0.000 1.055 235 V CA 5.078 67.464 62.300 0.143 0.000 1.038 235 V CB -0.475 31.395 31.823 0.077 0.000 0.651 235 V HN -0.625 7.666 8.190 0.167 0.000 0.450 236 S N -0.714 115.056 115.700 0.118 0.000 2.368 236 S HA -0.339 4.152 4.470 0.035 0.000 0.225 236 S C 1.856 176.523 174.600 0.112 0.000 1.030 236 S CA 3.100 61.351 58.200 0.085 0.000 0.999 236 S CB -0.455 62.794 63.200 0.083 0.000 0.844 236 S HN 0.085 8.466 8.310 0.118 0.000 0.459 237 W N 2.069 123.409 121.300 0.067 0.000 2.355 237 W HA -0.172 4.506 4.660 0.030 0.000 0.309 237 W C 1.862 178.390 176.519 0.015 0.000 1.206 237 W CA 2.996 60.383 57.345 0.070 0.000 1.284 237 W CB -0.185 29.397 29.460 0.204 0.000 1.145 237 W HN -0.210 8.201 8.180 0.386 0.000 0.502 238 I N -0.418 120.080 120.570 -0.119 0.000 2.127 238 I HA -0.771 2.854 4.170 -0.909 0.000 0.241 238 I C 1.809 177.658 176.117 -0.446 0.000 1.075 238 I CA 4.622 65.655 61.300 -0.445 0.000 1.334 238 I CB -0.246 37.681 38.000 -0.123 0.000 1.040 238 I HN 0.429 8.789 8.210 0.249 0.000 0.405 239 K N -1.476 118.777 120.400 -0.246 0.000 2.063 239 K HA -0.474 3.691 4.320 -0.258 0.000 0.208 239 K C 2.875 179.323 176.600 -0.254 0.000 1.048 239 K CA 3.771 59.923 56.287 -0.224 0.000 0.928 239 K CB -0.290 32.141 32.500 -0.114 0.000 0.713 239 K HN -0.045 8.125 8.250 -0.133 0.000 0.442 240 Q N -1.920 117.740 119.800 -0.233 0.000 2.083 240 Q HA -0.249 4.001 4.340 -0.151 0.000 0.198 240 Q C 2.529 178.352 176.000 -0.296 0.000 0.969 240 Q CA 3.480 59.163 55.803 -0.200 0.000 0.838 240 Q CB 0.064 28.735 28.738 -0.111 0.000 0.900 240 Q HN 0.035 8.178 8.270 -0.200 0.008 0.436 241 T N 2.827 117.088 114.554 -0.488 0.000 2.737 241 T HA -0.284 3.847 4.350 -0.364 0.000 0.265 241 T C 2.449 176.784 174.700 -0.608 0.000 1.038 241 T CA 4.963 66.725 62.100 -0.563 0.000 1.144 241 T CB -0.221 68.072 68.868 -0.957 0.000 0.866 241 T HN 0.060 7.950 8.240 -0.583 0.000 0.434 242 I N -2.379 117.693 120.570 -0.831 0.000 2.493 242 I HA -0.173 3.058 4.170 -1.564 0.000 0.254 242 I C 1.275 177.133 176.117 -0.431 0.000 1.160 242 I CA 2.957 63.592 61.300 -1.109 0.000 1.445 242 I CB -0.661 36.459 38.000 -1.468 0.000 1.086 242 I HN 0.183 7.920 8.210 -0.787 0.000 0.433 243 A N -0.399 122.241 122.820 -0.300 0.000 2.119 243 A HA -0.098 4.172 4.320 -0.082 0.000 0.217 243 A C 0.565 178.108 177.584 -0.068 0.000 1.153 243 A CA 1.778 53.737 52.037 -0.130 0.000 0.692 243 A CB -0.246 18.686 19.000 -0.113 0.000 0.799 243 A HN -0.276 7.649 8.150 -0.348 0.017 0.458 244 S N -3.398 112.248 115.700 -0.090 0.000 2.557 244 S HA 0.152 4.616 4.470 -0.011 0.000 0.223 244 S C -0.847 173.769 174.600 0.027 0.000 0.969 244 S CA 0.434 58.616 58.200 -0.029 0.000 0.927 244 S CB 0.691 63.865 63.200 -0.044 0.000 0.806 244 S HN -0.511 7.549 8.310 -0.167 0.150 0.489 245 N N 0.000 118.752 118.700 0.086 0.000 1.763 245 N HA 0.000 4.829 4.740 0.149 0.000 0.220 245 N CA 0.000 53.184 53.050 0.223 0.000 0.885 245 N CB 0.000 38.685 38.487 0.329 0.000 1.341 245 N HN 0.000 8.248 8.380 0.055 0.165 0.667