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 1c2j_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 4.167 4.170 -0.004 0.000 0.288 16 I C 0.000 176.091 176.117 -0.043 0.000 1.063 16 I CA 0.000 61.277 61.300 -0.039 0.000 1.566 16 I CB 0.000 37.950 38.000 -0.084 0.000 1.214 17 V N 5.383 125.288 119.914 -0.016 0.000 2.459 17 V HA 0.280 4.505 4.120 -0.029 -0.123 0.295 17 V C 0.533 176.624 176.094 -0.005 0.000 1.029 17 V CA -1.743 60.548 62.300 -0.015 0.000 0.874 17 V CB 1.205 33.025 31.823 -0.004 0.000 0.985 17 V HN 0.801 8.995 8.190 0.007 0.000 0.438 18 G N 6.713 115.505 108.800 -0.012 0.000 2.176 18 G HA2 -0.397 3.556 3.960 -0.011 0.000 0.252 18 G HA3 -0.397 3.698 3.960 -0.025 -0.150 0.252 18 G C -0.698 174.207 174.900 0.009 0.000 1.024 18 G CA 0.496 45.589 45.100 -0.012 0.000 0.755 18 G HN 0.803 9.083 8.290 -0.017 0.000 0.507 19 G N -0.882 107.919 108.800 0.001 0.000 2.702 19 G HA2 0.565 4.576 3.960 0.086 0.000 0.254 19 G HA3 0.565 4.565 3.960 -0.097 -0.098 0.254 19 G C -1.596 173.339 174.900 0.059 0.000 1.380 19 G CA -1.079 44.023 45.100 0.003 0.000 1.042 19 G HN -0.642 7.607 8.290 -0.019 0.029 0.557 20 Y N -5.811 114.468 120.300 -0.035 0.000 2.634 20 Y HA 0.411 4.942 4.550 -0.031 0.000 0.340 20 Y C -1.866 174.006 175.900 -0.047 0.000 1.058 20 Y CA -2.856 55.223 58.100 -0.035 0.000 1.081 20 Y CB 1.438 39.881 38.460 -0.029 0.000 1.295 20 Y HN 0.266 8.210 8.280 -0.560 0.000 0.487 21 T N 2.993 117.597 114.554 0.083 0.000 2.834 21 T HA -0.008 4.421 4.350 -0.115 -0.148 0.298 21 T C 0.326 175.050 174.700 0.039 0.000 0.966 21 T CA 1.816 63.909 62.100 -0.011 0.000 1.141 21 T CB -0.020 68.870 68.868 0.037 0.000 0.905 21 T HN 0.197 8.540 8.240 0.171 0.000 0.535 22 c N 6.348 124.874 118.600 -0.123 0.000 2.436 22 c HA -0.096 4.491 4.570 0.030 0.000 0.277 22 c C 0.438 174.554 174.090 0.043 0.000 1.241 22 c CA 0.974 57.270 56.329 -0.055 0.000 1.721 22 c CB -0.386 42.018 42.510 -0.176 0.000 2.043 22 c HN 0.522 8.625 8.230 -0.212 0.000 0.472 23 G N -2.432 106.368 108.800 -0.001 0.000 2.627 23 G HA2 -0.186 3.788 3.960 0.023 0.000 0.680 23 G HA3 -0.186 3.791 3.960 0.027 0.000 0.680 23 G C -2.319 172.577 174.900 -0.007 0.000 1.341 23 G CA -0.844 44.265 45.100 0.015 0.000 0.835 23 G HN -0.513 7.753 8.290 -0.040 0.000 0.643 24 A N 2.845 125.670 122.820 0.008 0.000 2.548 24 A HA -0.200 4.359 4.320 0.018 -0.228 0.247 24 A C -0.089 177.495 177.584 -0.000 0.000 1.067 24 A CA 1.002 53.047 52.037 0.013 0.000 0.757 24 A CB 0.133 19.148 19.000 0.025 0.000 0.996 24 A HN 0.284 8.443 8.150 0.016 0.000 0.504 25 N N -2.132 116.564 118.700 -0.006 0.000 2.710 25 N HA -0.382 4.339 4.740 -0.031 0.000 0.249 25 N C 0.185 175.669 175.510 -0.044 0.000 1.059 25 N CA 1.480 54.517 53.050 -0.022 0.000 0.720 25 N CB -1.053 37.434 38.487 -0.001 0.000 0.983 25 N HN 0.529 8.913 8.380 0.007 0.000 0.544 26 T N -4.093 110.424 114.554 -0.060 0.000 3.081 26 T HA 0.015 4.348 4.350 -0.027 0.000 0.250 26 T C -0.487 174.148 174.700 -0.108 0.000 1.100 26 T CA 0.934 63.004 62.100 -0.050 0.000 1.038 26 T CB 0.759 69.616 68.868 -0.018 0.000 0.962 26 T HN -0.451 7.734 8.240 -0.067 0.015 0.516 27 V N 2.290 122.074 119.914 -0.216 0.000 2.320 27 V HA 0.345 4.169 4.120 -0.494 0.000 0.257 27 V C -1.163 174.600 176.094 -0.551 0.000 0.996 27 V CA -3.451 58.556 62.300 -0.488 0.000 0.928 27 V CB 1.044 32.576 31.823 -0.486 0.000 1.169 27 V HN -0.449 7.570 8.190 -0.187 0.058 0.475 28 P HA 0.064 4.507 4.420 -0.112 -0.091 0.226 28 P C 0.071 177.309 177.300 -0.104 0.000 1.153 28 P CA 1.583 64.591 63.100 -0.153 0.000 0.777 28 P CB 0.160 31.842 31.700 -0.030 0.000 0.794 29 Y N -5.575 114.750 120.300 0.042 0.000 2.466 29 Y HA 0.511 5.271 4.550 0.058 -0.176 0.272 29 Y C -0.578 175.361 175.900 0.065 0.000 1.169 29 Y CA -3.572 54.560 58.100 0.052 0.000 1.285 29 Y CB -1.430 37.056 38.460 0.044 0.000 1.078 29 Y HN -0.384 7.340 8.280 -0.832 0.056 0.523 30 Q N 2.723 122.424 119.800 -0.165 0.000 2.304 30 Q HA 0.199 4.747 4.340 0.128 -0.131 0.260 30 Q C -0.306 175.785 176.000 0.152 0.000 0.965 30 Q CA -0.009 55.794 55.803 0.000 0.000 0.898 30 Q CB 1.070 29.695 28.738 -0.188 0.000 1.196 30 Q HN -0.686 7.243 8.270 -0.453 0.069 0.402 31 V N 1.594 121.637 119.914 0.214 0.000 2.864 31 V HA 0.750 5.103 4.120 0.209 -0.107 0.314 31 V C -1.837 174.425 176.094 0.282 0.000 1.073 31 V CA -2.696 59.732 62.300 0.213 0.000 0.956 31 V CB 3.669 35.567 31.823 0.124 0.000 1.023 31 V HN 0.456 8.770 8.190 0.206 0.000 0.435 32 S N 1.558 117.337 115.700 0.133 0.000 2.473 32 S HA 0.464 5.177 4.470 0.220 -0.110 0.307 32 S C -1.131 173.386 174.600 -0.140 0.000 1.094 32 S CA -2.054 56.155 58.200 0.015 0.000 1.070 32 S CB 1.770 64.750 63.200 -0.366 0.000 1.019 32 S HN 0.266 8.621 8.310 0.076 0.000 0.480 33 L N 6.903 127.930 121.223 -0.327 0.000 2.282 33 L HA 0.568 4.874 4.340 -0.277 -0.132 0.288 33 L C -1.514 175.004 176.870 -0.588 0.000 1.033 33 L CA -0.916 53.627 54.840 -0.495 0.000 0.807 33 L CB 1.167 42.743 42.059 -0.804 0.000 1.209 33 L HN 0.870 8.870 8.230 -0.382 0.000 0.423 38 G N -0.117 108.438 108.800 -0.409 0.000 2.201 38 G HA2 -0.248 3.636 3.960 -0.127 0.000 0.212 38 G HA3 -0.248 3.665 3.960 -0.079 0.000 0.212 38 G C -1.707 173.164 174.900 -0.047 0.000 0.994 38 G CA 0.222 45.212 45.100 -0.183 0.000 0.644 38 G HN 0.249 8.635 8.290 -0.339 -0.299 0.508 39 Y N -7.241 113.036 120.300 -0.038 0.000 2.702 39 Y HA 0.219 4.734 4.550 -0.058 0.000 0.336 39 Y C -2.484 173.427 175.900 0.018 0.000 1.203 39 Y CA -3.426 54.658 58.100 -0.028 0.000 1.072 39 Y CB 0.829 39.273 38.460 -0.026 0.000 1.327 39 Y HN -1.267 6.554 8.280 -0.774 -0.006 0.456 40 H N 2.442 121.533 119.070 0.034 0.000 2.722 40 H HA 0.079 4.690 4.556 -0.220 -0.187 0.328 40 H C -0.357 175.064 175.328 0.155 0.000 1.067 40 H CA -0.338 55.663 56.048 -0.078 0.000 1.447 40 H CB 0.426 30.077 29.762 -0.184 0.000 1.469 40 H HN 0.264 8.680 8.280 0.226 0.000 0.544 41 F N 2.327 121.929 119.950 -0.580 0.000 2.876 41 F HA 0.316 4.777 4.527 -0.110 0.000 0.344 41 F C -1.594 173.978 175.800 -0.380 0.000 1.029 41 F CA -0.715 57.111 58.000 -0.290 0.000 1.154 41 F CB 1.615 40.584 39.000 -0.052 0.000 1.040 41 F HN 0.108 7.787 8.300 -1.036 0.000 0.576 42 c N -1.490 116.393 118.600 -1.195 0.000 3.312 42 c HA 0.290 4.717 4.570 -0.238 0.000 0.332 42 c C -1.799 172.085 174.090 -0.343 0.000 1.340 42 c CA -0.085 55.895 56.329 -0.581 0.000 1.265 42 c CB 4.100 46.316 42.510 -0.490 0.000 1.563 42 c HN -0.815 6.444 8.230 -1.618 0.000 0.471 43 G N -0.866 107.928 108.800 -0.010 0.000 2.601 43 G HA2 0.811 5.093 3.960 0.256 0.000 0.317 43 G HA3 0.811 4.917 3.960 0.243 0.000 0.317 43 G C -2.539 172.397 174.900 0.061 0.000 1.246 43 G CA -1.630 43.569 45.100 0.165 0.000 1.012 43 G HN 0.774 9.065 8.290 0.002 0.000 0.494 44 G N -3.857 105.013 108.800 0.116 0.000 2.550 44 G HA2 0.607 4.878 3.960 0.090 0.000 0.293 44 G HA3 0.607 4.610 3.960 0.072 0.000 0.293 44 G C -2.941 172.051 174.900 0.154 0.000 1.402 44 G CA 0.132 45.293 45.100 0.101 0.000 0.784 44 G HN -0.496 7.898 8.290 0.175 0.000 0.482 45 S N -0.668 115.126 115.700 0.157 0.000 2.521 45 S HA 0.847 5.683 4.470 0.275 -0.201 0.295 45 S C -1.442 173.263 174.600 0.175 0.000 1.098 45 S CA -0.896 57.428 58.200 0.206 0.000 0.999 45 S CB 3.849 67.151 63.200 0.170 0.000 1.034 45 S HN 0.422 8.812 8.310 0.133 0.000 0.483 46 L N 5.774 127.115 121.223 0.197 0.000 2.313 46 L HA 0.236 4.785 4.340 0.149 -0.119 0.282 46 L C -0.583 176.373 176.870 0.143 0.000 1.092 46 L CA -0.271 54.665 54.840 0.161 0.000 0.831 46 L CB 1.226 43.378 42.059 0.155 0.000 1.159 46 L HN 0.466 8.742 8.230 0.255 0.107 0.442 47 I N -0.079 120.572 120.570 0.136 0.000 3.854 47 I HA 0.415 4.779 4.170 0.071 -0.151 0.312 47 I C -0.899 175.278 176.117 0.100 0.000 1.273 47 I CA -0.388 60.971 61.300 0.098 0.000 1.298 47 I CB 0.816 38.864 38.000 0.081 0.000 1.071 47 I HN 0.415 8.723 8.210 0.164 0.000 0.428 48 N N -3.338 115.443 118.700 0.135 0.000 3.227 48 N HA 0.099 4.895 4.740 0.094 0.000 0.241 48 N C -0.290 175.296 175.510 0.126 0.000 1.480 48 N CA -0.457 52.668 53.050 0.124 0.000 0.886 48 N CB 1.074 39.642 38.487 0.135 0.000 1.406 48 N HN -0.984 7.491 8.380 0.158 0.000 0.514 49 S N -1.284 114.474 115.700 0.097 0.000 2.465 49 S HA -0.308 4.198 4.470 0.060 0.000 0.241 49 S C 0.711 175.335 174.600 0.040 0.000 1.000 49 S CA 3.042 61.282 58.200 0.066 0.000 0.964 49 S CB -0.023 63.206 63.200 0.048 0.000 0.763 49 S HN 0.560 8.924 8.310 0.089 0.000 0.512 50 Q N -2.539 117.298 119.800 0.063 0.000 2.189 50 Q HA 0.234 4.496 4.340 -0.130 0.000 0.223 50 Q C -1.322 174.516 176.000 -0.271 0.000 0.828 50 Q CA 0.003 55.744 55.803 -0.104 0.000 0.967 50 Q CB 1.251 29.917 28.738 -0.119 0.000 1.139 50 Q HN 0.052 8.362 8.270 0.148 0.049 0.497 51 W N -1.892 119.414 121.300 0.010 0.000 2.915 51 W HA 0.511 5.341 4.660 0.007 -0.166 0.337 51 W C -1.679 174.853 176.519 0.022 0.000 1.102 51 W CA -0.730 56.619 57.345 0.007 0.000 1.224 51 W CB 3.900 33.352 29.460 -0.013 0.000 1.416 51 W HN -0.460 7.865 8.180 0.241 0.000 0.503 52 V N 1.738 121.814 119.914 0.270 0.000 2.680 52 V HA 0.777 5.174 4.120 0.174 -0.172 0.309 52 V C -1.426 174.788 176.094 0.200 0.000 1.052 52 V CA -1.754 60.657 62.300 0.186 0.000 0.908 52 V CB 3.605 35.493 31.823 0.110 0.000 1.001 52 V HN 0.795 9.161 8.190 0.294 0.000 0.431 53 V N 2.250 122.258 119.914 0.157 0.000 2.513 53 V HA 0.962 5.342 4.120 0.164 -0.161 0.299 53 V C -1.625 174.537 176.094 0.113 0.000 1.035 53 V CA -2.665 59.720 62.300 0.142 0.000 0.889 53 V CB 1.958 33.855 31.823 0.123 0.000 0.988 53 V HN 0.481 8.757 8.190 0.144 0.000 0.440 54 S N 4.270 120.027 115.700 0.095 0.000 2.880 54 S HA 0.575 5.288 4.470 0.062 -0.206 0.308 54 S C -1.825 172.790 174.600 0.024 0.000 1.195 54 S CA -2.377 55.855 58.200 0.054 0.000 0.866 54 S CB 2.367 65.584 63.200 0.028 0.000 1.254 54 S HN 0.570 8.947 8.310 0.111 0.000 0.571 55 A N -0.653 122.148 122.820 -0.031 0.000 2.303 55 A HA 0.436 4.879 4.320 -0.042 -0.149 0.317 55 A C 0.373 177.868 177.584 -0.148 0.000 1.149 55 A CA -1.517 50.473 52.037 -0.077 0.000 0.822 55 A CB 1.500 20.438 19.000 -0.102 0.000 1.131 55 A HN 0.318 8.438 8.150 -0.050 0.000 0.493 56 A N 4.363 127.036 122.820 -0.245 0.000 2.015 56 A HA -0.193 3.997 4.320 -0.215 0.000 0.219 56 A C 1.171 178.558 177.584 -0.328 0.000 1.163 56 A CA 2.615 54.387 52.037 -0.442 0.000 0.646 56 A CB -0.148 18.192 19.000 -1.099 0.000 0.806 56 A HN 0.531 8.588 8.150 -0.233 -0.047 0.448 57 H N -5.083 113.866 119.070 -0.203 0.000 2.556 57 H HA -0.021 4.610 4.556 0.124 0.000 0.268 57 H C -0.086 175.312 175.328 0.116 0.000 0.996 57 H CA 0.993 57.076 56.048 0.058 0.000 1.157 57 H CB -1.515 28.336 29.762 0.148 0.000 1.355 57 H HN -0.012 8.498 8.280 -0.058 -0.265 0.597 58 c N -1.579 116.913 118.600 -0.180 0.000 2.791 58 c HA 0.022 4.639 4.570 0.078 0.000 0.270 58 c C -0.935 173.242 174.090 0.145 0.000 1.257 58 c CA 0.131 56.464 56.329 0.007 0.000 1.699 58 c CB -1.380 41.111 42.510 -0.031 0.000 1.904 58 c HN -0.683 7.209 8.230 -0.222 0.205 0.603 59 Y N 2.539 122.840 120.300 0.002 0.000 2.712 59 Y HA -0.243 4.328 4.550 0.036 0.000 0.333 59 Y C -1.101 174.781 175.900 -0.030 0.000 1.225 59 Y CA 1.515 59.621 58.100 0.010 0.000 1.499 59 Y CB 0.675 39.132 38.460 -0.004 0.000 1.288 59 Y HN -0.476 7.717 8.280 0.159 0.182 0.575 60 K N 6.937 126.708 120.400 -1.047 0.000 2.575 60 K HA 0.186 3.984 4.320 -0.869 0.000 0.279 60 K C -2.327 173.759 176.600 -0.857 0.000 0.969 60 K CA -1.495 54.252 56.287 -0.901 0.000 0.868 60 K CB 3.528 35.630 32.500 -0.663 0.000 1.457 60 K HN 0.195 7.879 8.250 -0.945 0.000 0.426 61 S N -0.538 114.831 115.700 -0.552 0.000 2.578 61 S HA 0.068 4.387 4.470 -0.252 0.000 0.283 61 S C 0.947 175.417 174.600 -0.216 0.000 1.195 61 S CA -0.159 57.869 58.200 -0.287 0.000 1.050 61 S CB 0.736 63.849 63.200 -0.146 0.000 1.012 61 S HN 0.026 8.052 8.310 -0.473 0.000 0.511 62 G N 3.753 112.470 108.800 -0.139 0.000 2.341 62 G HA2 -0.211 3.696 3.960 -0.088 0.000 0.278 62 G HA3 -0.211 3.672 3.960 -0.128 0.000 0.278 62 G C -1.757 173.072 174.900 -0.118 0.000 1.111 62 G CA -0.014 45.015 45.100 -0.119 0.000 0.982 62 G HN 0.305 8.531 8.290 -0.106 0.000 0.502 63 I N -0.995 119.526 120.570 -0.082 0.000 2.437 63 I HA 0.166 4.458 4.170 -0.011 -0.129 0.298 63 I C -1.998 174.087 176.117 -0.053 0.000 0.984 63 I CA -1.261 60.020 61.300 -0.031 0.000 1.214 63 I CB 1.795 39.810 38.000 0.025 0.000 1.365 63 I HN -0.460 7.704 8.210 -0.077 0.000 0.469 64 Q N 5.949 125.704 119.800 -0.074 0.000 2.340 64 Q HA 0.482 4.892 4.340 -0.065 -0.108 0.268 64 Q C -1.774 174.162 176.000 -0.106 0.000 1.031 64 Q CA -1.442 54.305 55.803 -0.093 0.000 0.804 64 Q CB 3.987 32.641 28.738 -0.139 0.000 1.286 64 Q HN 0.273 8.499 8.270 -0.073 0.000 0.448 65 V N 7.073 126.949 119.914 -0.063 0.000 2.439 65 V HA 0.319 4.525 4.120 -0.075 -0.131 0.282 65 V C -1.209 174.887 176.094 0.004 0.000 1.039 65 V CA -0.224 62.051 62.300 -0.042 0.000 0.913 65 V CB 1.214 33.030 31.823 -0.012 0.000 0.983 65 V HN 1.082 9.139 8.190 -0.040 0.109 0.460 66 R N 5.995 126.494 120.500 -0.002 0.000 2.409 66 R HA 0.802 5.562 4.340 0.337 -0.217 0.313 66 R C -1.085 175.297 176.300 0.136 0.000 0.953 66 R CA -1.390 54.786 56.100 0.128 0.000 0.849 66 R CB 1.827 32.081 30.300 -0.077 0.000 1.171 66 R HN 0.492 8.736 8.270 -0.043 0.000 0.458 70 E N -0.718 119.586 120.200 0.173 0.000 2.319 70 E HA 0.141 4.582 4.350 0.151 0.000 0.268 70 E C -1.807 174.985 176.600 0.320 0.000 1.050 70 E CA 0.064 56.594 56.400 0.215 0.000 0.878 70 E CB 1.460 31.250 29.700 0.150 0.000 1.066 70 E HN -0.633 7.805 8.360 0.197 0.040 0.406 71 D N 1.163 121.729 120.400 0.277 0.000 2.957 71 D HA 0.045 4.888 4.640 0.338 0.000 0.175 71 D C -1.105 175.398 176.300 0.338 0.000 1.502 71 D CA 1.015 55.184 54.000 0.280 0.000 1.524 71 D CB 2.460 43.339 40.800 0.132 0.000 1.300 71 D HN 0.069 8.556 8.370 0.194 0.000 0.241 72 N N 0.965 119.775 118.700 0.183 0.000 2.411 72 N HA 0.222 5.212 4.740 0.191 -0.136 0.259 72 N C 2.097 177.627 175.510 0.033 0.000 1.103 72 N CA -0.426 52.704 53.050 0.133 0.000 0.954 72 N CB 0.757 39.294 38.487 0.083 0.000 1.085 72 N HN -0.301 8.484 8.380 0.134 -0.324 0.485 73 I N 0.478 120.983 120.570 -0.108 0.000 3.564 73 I HA -0.036 4.145 4.170 -0.230 -0.148 0.294 73 I C -0.636 175.403 176.117 -0.131 0.000 1.289 73 I CA 1.061 62.199 61.300 -0.269 0.000 1.325 73 I CB -0.846 36.749 38.000 -0.675 0.000 1.039 73 I HN 0.691 8.851 8.210 -0.084 0.000 0.474 74 N N -1.707 116.962 118.700 -0.052 0.000 2.220 74 N HA 0.163 4.886 4.740 -0.028 0.000 0.195 74 N C -0.881 174.638 175.510 0.014 0.000 1.123 74 N CA -0.128 52.911 53.050 -0.017 0.000 0.874 74 N CB 2.318 40.803 38.487 -0.003 0.000 0.995 74 N HN -0.027 8.620 8.380 -0.029 -0.285 0.498 75 V N 0.022 119.951 119.914 0.026 0.000 2.588 75 V HA 0.039 4.179 4.120 0.035 0.000 0.304 75 V C -1.336 174.788 176.094 0.050 0.000 1.042 75 V CA -1.143 61.179 62.300 0.037 0.000 0.877 75 V CB 3.068 34.911 31.823 0.034 0.000 0.996 75 V HN -0.801 7.449 8.190 0.021 -0.047 0.425 76 V N 7.651 127.594 119.914 0.049 0.000 2.405 76 V HA -0.188 4.189 4.120 0.054 -0.224 0.264 76 V C 0.277 176.376 176.094 0.009 0.000 1.048 76 V CA 0.576 62.896 62.300 0.033 0.000 0.966 76 V CB -0.242 31.592 31.823 0.017 0.000 1.015 76 V HN 0.300 8.515 8.190 0.042 0.000 0.477 77 E N 8.984 129.189 120.200 0.008 0.000 2.474 77 E HA 0.042 4.397 4.350 0.007 0.000 0.195 77 E C 0.490 177.083 176.600 -0.012 0.000 1.039 77 E CA -0.067 56.337 56.400 0.006 0.000 0.881 77 E CB 0.308 30.021 29.700 0.022 0.000 0.970 77 E HN 0.287 9.066 8.360 0.014 -0.410 0.486 78 G N -1.087 107.691 108.800 -0.036 0.000 2.259 78 G HA2 -0.352 3.569 3.960 -0.064 0.000 0.217 78 G HA3 -0.352 3.588 3.960 -0.033 0.000 0.217 78 G C 0.061 174.925 174.900 -0.060 0.000 1.001 78 G CA 0.405 45.476 45.100 -0.049 0.000 0.627 78 G HN 0.029 8.437 8.290 -0.047 -0.146 0.501 79 N N 0.598 119.271 118.700 -0.045 0.000 2.235 79 N HA 0.116 4.829 4.740 -0.045 0.000 0.209 79 N C -1.234 174.240 175.510 -0.061 0.000 1.122 79 N CA -0.355 52.671 53.050 -0.041 0.000 0.845 79 N CB 0.627 39.108 38.487 -0.009 0.000 1.004 79 N HN 0.417 8.726 8.380 -0.028 0.054 0.499 80 E N -0.156 119.968 120.200 -0.127 0.000 2.318 80 E HA 0.338 4.880 4.350 -0.056 -0.225 0.265 80 E C -0.269 176.163 176.600 -0.281 0.000 1.069 80 E CA -0.346 55.941 56.400 -0.188 0.000 0.893 80 E CB 0.875 30.362 29.700 -0.355 0.000 1.076 80 E HN -0.466 7.737 8.360 -0.146 0.070 0.414 81 Q N 0.116 119.811 119.800 -0.175 0.000 2.274 81 Q HA 0.305 4.520 4.340 -0.208 0.000 0.268 81 Q C -1.434 174.635 176.000 0.115 0.000 1.015 81 Q CA -1.094 54.643 55.803 -0.110 0.000 0.775 81 Q CB 3.176 31.902 28.738 -0.020 0.000 1.256 81 Q HN 0.379 8.632 8.270 -0.027 0.000 0.442 82 F N 3.843 123.776 119.950 -0.029 0.000 2.375 82 F HA 0.877 5.578 4.527 -0.044 -0.200 0.361 82 F C 0.136 175.913 175.800 -0.038 0.000 1.117 82 F CA -1.665 56.312 58.000 -0.039 0.000 1.037 82 F CB 1.772 40.747 39.000 -0.042 0.000 1.192 82 F HN 0.307 8.585 8.300 -0.038 0.000 0.452 83 I N 4.385 125.031 120.570 0.126 0.000 2.533 83 I HA 0.294 4.490 4.170 0.042 0.000 0.290 83 I C -0.882 175.237 176.117 0.002 0.000 1.056 83 I CA -1.303 60.023 61.300 0.043 0.000 1.057 83 I CB 4.158 42.169 38.000 0.018 0.000 1.240 83 I HN 0.962 9.243 8.210 0.119 0.000 0.423 84 S N 6.397 122.088 115.700 -0.015 0.000 2.592 84 S HA 0.151 4.714 4.470 -0.041 -0.117 0.271 84 S C -0.602 173.965 174.600 -0.054 0.000 1.326 84 S CA 0.598 58.776 58.200 -0.036 0.000 1.024 84 S CB 1.113 64.292 63.200 -0.035 0.000 0.921 84 S HN 0.509 8.814 8.310 -0.008 0.000 0.527 85 A N 2.958 125.744 122.820 -0.057 0.000 2.354 85 A HA 0.255 4.650 4.320 -0.100 -0.135 0.269 85 A C -0.242 177.297 177.584 -0.075 0.000 1.109 85 A CA -0.428 51.565 52.037 -0.073 0.000 0.800 85 A CB 0.787 19.758 19.000 -0.048 0.000 1.045 85 A HN -0.129 7.990 8.150 -0.051 0.000 0.489 86 S N 2.632 118.268 115.700 -0.106 0.000 2.475 86 S HA 0.060 4.494 4.470 -0.060 0.000 0.224 86 S C 0.370 174.936 174.600 -0.057 0.000 1.042 86 S CA 1.251 59.401 58.200 -0.084 0.000 0.935 86 S CB 1.524 64.657 63.200 -0.111 0.000 0.801 86 S HN 0.741 8.844 8.310 -0.155 0.114 0.509 87 K N 1.267 121.623 120.400 -0.073 0.000 2.562 87 K HA 0.278 4.616 4.320 0.030 0.000 0.267 87 K C -2.172 174.455 176.600 0.044 0.000 0.938 87 K CA -0.115 56.172 56.287 0.001 0.000 0.840 87 K CB 2.708 35.216 32.500 0.013 0.000 1.390 87 K HN -0.724 7.448 8.250 -0.130 0.000 0.428 88 S N 3.649 119.422 115.700 0.123 0.000 2.513 88 S HA 0.946 5.697 4.470 0.182 -0.172 0.299 88 S C -0.683 174.041 174.600 0.206 0.000 1.087 88 S CA -1.154 57.160 58.200 0.190 0.000 1.012 88 S CB 2.771 66.124 63.200 0.256 0.000 1.044 88 S HN 0.085 8.473 8.310 0.130 0.000 0.485 89 I N 4.122 124.834 120.570 0.237 0.000 2.503 89 I HA 0.180 4.456 4.170 0.177 0.000 0.282 89 I C -1.706 174.569 176.117 0.264 0.000 1.059 89 I CA -0.385 61.058 61.300 0.237 0.000 1.081 89 I CB 2.997 41.160 38.000 0.271 0.000 1.210 89 I HN 0.834 9.201 8.210 0.262 0.000 0.450 90 V N 7.227 127.229 119.914 0.147 0.000 2.607 90 V HA -0.101 4.076 4.120 0.094 0.000 0.289 90 V C -0.265 175.888 176.094 0.099 0.000 1.053 90 V CA -0.824 61.522 62.300 0.076 0.000 0.996 90 V CB 1.009 32.794 31.823 -0.065 0.000 0.995 90 V HN 0.245 8.484 8.190 0.083 0.000 0.476 91 H N 8.248 127.247 119.070 -0.119 0.000 3.115 91 H HA -0.107 4.014 4.556 -0.726 0.000 0.324 91 H C -0.007 175.207 175.328 -0.189 0.000 1.007 91 H CA 1.013 56.800 56.048 -0.435 0.000 1.385 91 H CB 1.663 31.070 29.762 -0.592 0.000 1.351 91 H HN -0.201 8.094 8.280 0.025 0.000 0.592 92 P HA -0.143 4.213 4.420 -0.106 0.000 0.217 92 P C -0.461 176.792 177.300 -0.078 0.000 1.148 92 P CA 1.940 64.891 63.100 -0.249 0.000 0.828 92 P CB 0.253 31.790 31.700 -0.272 0.000 0.783 93 S N -2.768 112.974 115.700 0.069 0.000 2.574 93 S HA 0.057 4.564 4.470 0.062 0.000 0.242 93 S C -1.420 173.288 174.600 0.182 0.000 0.982 93 S CA -0.435 57.861 58.200 0.160 0.000 0.977 93 S CB 0.497 63.805 63.200 0.180 0.000 0.814 93 S HN -0.551 7.732 8.310 0.011 0.034 0.464 94 Y N 3.659 124.000 120.300 0.068 0.000 2.526 94 Y HA -0.247 4.486 4.550 -0.025 -0.199 0.330 94 Y C -0.849 175.040 175.900 -0.018 0.000 1.156 94 Y CA 0.650 58.751 58.100 0.002 0.000 1.419 94 Y CB 0.959 39.416 38.460 -0.004 0.000 1.250 94 Y HN -0.865 7.522 8.280 0.286 0.064 0.540 95 N N 7.846 126.160 118.700 -0.643 0.000 2.518 95 N HA 0.238 4.695 4.740 -0.471 0.000 0.254 95 N C -0.187 174.775 175.510 -0.913 0.000 0.979 95 N CA -1.177 51.514 53.050 -0.598 0.000 0.930 95 N CB 1.444 39.753 38.487 -0.297 0.000 1.152 95 N HN -0.096 8.019 8.380 -0.442 0.000 0.505 96 S N 6.557 121.718 115.700 -0.899 0.000 2.507 96 S HA -0.141 3.954 4.470 -0.624 0.000 0.235 96 S C 0.806 175.227 174.600 -0.299 0.000 0.988 96 S CA 2.336 60.206 58.200 -0.550 0.000 0.944 96 S CB -0.355 62.720 63.200 -0.209 0.000 0.762 96 S HN 0.657 8.541 8.310 -0.711 0.000 0.526 97 N N 1.271 119.796 118.700 -0.292 0.000 2.387 97 N HA 0.001 4.622 4.740 -0.199 0.000 0.176 97 N C 0.835 176.177 175.510 -0.279 0.000 1.022 97 N CA 2.097 55.009 53.050 -0.229 0.000 0.883 97 N CB 0.763 39.144 38.487 -0.177 0.000 1.019 97 N HN 0.262 8.676 8.380 -0.324 -0.228 0.435 98 T N -3.566 110.811 114.554 -0.295 0.000 3.001 98 T HA 0.089 4.213 4.350 -0.377 0.000 0.251 98 T C 0.164 174.631 174.700 -0.388 0.000 1.040 98 T CA -0.131 61.774 62.100 -0.325 0.000 0.985 98 T CB 1.490 70.231 68.868 -0.212 0.000 1.011 98 T HN -0.410 7.918 8.240 -0.293 -0.264 0.509 99 L N -3.616 117.419 121.223 -0.312 0.000 4.351 99 L HA -0.497 3.909 4.340 -0.007 -0.071 0.410 99 L C -1.888 174.997 176.870 0.025 0.000 1.150 99 L CA 0.514 55.278 54.840 -0.128 0.000 0.961 99 L CB -2.699 39.204 42.059 -0.260 0.000 2.130 99 L HN -0.106 7.877 8.230 -0.336 0.046 0.787 100 N N -0.749 117.925 118.700 -0.044 0.000 2.513 100 N HA -0.141 4.647 4.740 0.081 0.000 0.268 100 N C -0.087 175.476 175.510 0.088 0.000 1.180 100 N CA 0.635 53.704 53.050 0.033 0.000 0.948 100 N CB 1.135 39.615 38.487 -0.010 0.000 1.083 100 N HN -0.772 7.475 8.380 -0.147 0.044 0.455 101 N N -0.761 117.987 118.700 0.080 0.000 2.756 101 N HA -0.472 4.193 4.740 -0.125 0.000 0.248 101 N C -1.416 174.061 175.510 -0.056 0.000 1.062 101 N CA 1.330 54.322 53.050 -0.097 0.000 0.696 101 N CB -1.541 36.806 38.487 -0.233 0.000 0.946 101 N HN 0.659 9.105 8.380 0.111 0.000 0.548 102 D N -0.797 119.619 120.400 0.026 0.000 2.551 102 D HA 0.068 4.652 4.640 -0.093 0.000 0.223 102 D C -2.065 174.146 176.300 -0.148 0.000 1.144 102 D CA -0.345 53.658 54.000 0.005 0.000 1.025 102 D CB -0.701 40.217 40.800 0.196 0.000 1.085 102 D HN -0.100 8.304 8.370 0.057 0.000 0.506 103 I N 1.841 122.253 120.570 -0.263 0.000 2.827 103 I HA 0.730 5.014 4.170 -0.094 -0.171 0.298 103 I C -3.060 173.027 176.117 -0.049 0.000 1.235 103 I CA -1.625 59.570 61.300 -0.175 0.000 1.021 103 I CB 3.883 41.675 38.000 -0.348 0.000 1.259 103 I HN -0.317 7.672 8.210 -0.303 0.038 0.427 104 M N 4.671 124.323 119.600 0.086 0.000 2.465 104 M HA 0.766 5.561 4.480 0.306 -0.132 0.284 104 M C -2.877 173.570 176.300 0.245 0.000 1.212 104 M CA -0.892 54.526 55.300 0.197 0.000 0.910 104 M CB 4.739 37.404 32.600 0.107 0.000 1.725 104 M HN 0.570 8.906 8.290 0.077 0.000 0.477 105 L N 0.725 122.127 121.223 0.298 0.000 2.334 105 L HA 0.937 5.625 4.340 0.265 -0.189 0.276 105 L C -1.213 175.858 176.870 0.335 0.000 1.014 105 L CA -1.556 53.464 54.840 0.301 0.000 0.815 105 L CB 3.328 45.518 42.059 0.218 0.000 1.268 105 L HN 0.537 8.973 8.230 0.343 0.000 0.428 106 I N 0.859 121.612 120.570 0.304 0.000 2.466 106 I HA 0.575 4.990 4.170 0.112 -0.177 0.289 106 I C -1.691 174.369 176.117 -0.096 0.000 1.026 106 I CA -1.312 60.060 61.300 0.120 0.000 1.078 106 I CB 3.200 41.244 38.000 0.073 0.000 1.249 106 I HN 0.874 9.286 8.210 0.336 0.000 0.429 107 K N 6.512 126.659 120.400 -0.422 0.000 2.138 107 K HA 0.686 4.401 4.320 -1.281 -0.164 0.263 107 K C -1.102 175.220 176.600 -0.464 0.000 0.965 107 K CA -2.055 53.651 56.287 -0.968 0.000 0.868 107 K CB 3.289 35.024 32.500 -1.276 0.000 1.083 107 K HN 0.761 8.858 8.250 -0.255 0.000 0.443 108 L N 4.724 125.696 121.223 -0.419 0.000 2.375 108 L HA 0.217 4.582 4.340 -0.163 -0.123 0.271 108 L C 1.109 177.861 176.870 -0.197 0.000 1.107 108 L CA 0.076 54.784 54.840 -0.220 0.000 0.806 108 L CB 0.370 42.339 42.059 -0.151 0.000 1.146 108 L HN 0.345 8.240 8.230 -0.558 0.000 0.447 109 K N 1.582 121.907 120.400 -0.125 0.000 2.097 109 K HA -0.179 4.077 4.320 -0.107 0.000 0.205 109 K C 0.223 176.776 176.600 -0.078 0.000 1.050 109 K CA 2.624 58.854 56.287 -0.094 0.000 0.938 109 K CB 0.571 33.035 32.500 -0.061 0.000 0.718 109 K HN 0.358 8.547 8.250 -0.101 0.000 0.442 110 S N -1.915 113.744 115.700 -0.068 0.000 2.568 110 S HA 0.133 4.575 4.470 -0.047 0.000 0.293 110 S C -1.654 172.916 174.600 -0.051 0.000 1.089 110 S CA -0.846 57.325 58.200 -0.048 0.000 0.945 110 S CB 2.323 65.505 63.200 -0.030 0.000 1.077 110 S HN -0.250 8.002 8.310 -0.068 0.016 0.485 111 A N 2.105 124.903 122.820 -0.037 0.000 2.371 111 A HA 0.011 4.471 4.320 -0.038 -0.163 0.257 111 A C -0.828 176.749 177.584 -0.011 0.000 1.089 111 A CA -0.250 51.773 52.037 -0.024 0.000 0.794 111 A CB 0.882 19.878 19.000 -0.007 0.000 1.029 111 A HN 0.017 8.149 8.150 -0.030 0.000 0.488 112 A N 1.396 124.215 122.820 -0.001 0.000 2.286 112 A HA 0.161 4.548 4.320 0.002 -0.066 0.286 112 A C -0.651 176.941 177.584 0.012 0.000 1.097 112 A CA -1.088 50.954 52.037 0.008 0.000 0.821 112 A CB 1.586 20.599 19.000 0.022 0.000 1.076 112 A HN 0.215 8.253 8.150 0.002 0.113 0.490 113 S N 0.456 116.161 115.700 0.008 0.000 2.422 113 S HA 0.087 4.563 4.470 0.010 0.000 0.298 113 S C -0.960 173.649 174.600 0.016 0.000 1.118 113 S CA -0.286 57.919 58.200 0.008 0.000 1.083 113 S CB 0.644 63.843 63.200 -0.001 0.000 0.971 113 S HN 0.037 8.698 8.310 0.004 -0.348 0.478 114 L N 6.625 127.861 121.223 0.022 0.000 2.326 114 L HA 0.159 4.657 4.340 0.034 -0.138 0.278 114 L C -0.453 176.431 176.870 0.023 0.000 1.092 114 L CA -0.351 54.506 54.840 0.029 0.000 0.810 114 L CB 0.333 42.414 42.059 0.037 0.000 1.153 114 L HN 0.336 8.578 8.230 0.021 0.000 0.439 115 N N 3.966 122.680 118.700 0.024 0.000 3.439 115 N HA 0.209 4.959 4.740 0.017 0.000 0.313 115 N C -0.516 175.007 175.510 0.022 0.000 1.598 115 N CA -0.606 52.455 53.050 0.018 0.000 0.830 115 N CB 0.843 39.336 38.487 0.010 0.000 1.849 115 N HN 0.404 8.692 8.380 0.029 0.110 0.598 116 S N -1.155 114.555 115.700 0.017 0.000 2.383 116 S HA -0.258 4.226 4.470 0.023 0.000 0.229 116 S C 0.483 175.093 174.600 0.017 0.000 1.030 116 S CA 2.963 61.174 58.200 0.018 0.000 1.002 116 S CB -0.139 63.069 63.200 0.013 0.000 0.829 116 S HN 0.300 8.618 8.310 0.013 0.000 0.467 117 R N -1.801 118.707 120.500 0.013 0.000 2.210 117 R HA -0.090 4.252 4.340 0.003 0.000 0.203 117 R C -1.306 175.003 176.300 0.015 0.000 1.010 117 R CA 0.964 57.070 56.100 0.009 0.000 1.008 117 R CB 1.014 31.319 30.300 0.008 0.000 0.923 117 R HN -0.114 8.427 8.270 0.012 -0.265 0.469 118 V N -1.195 118.734 119.914 0.025 0.000 2.380 118 V HA 0.273 4.596 4.120 0.042 -0.178 0.286 118 V C -2.020 174.107 176.094 0.054 0.000 1.015 118 V CA -1.143 61.181 62.300 0.040 0.000 0.834 118 V CB 1.768 33.612 31.823 0.035 0.000 1.009 118 V HN -0.647 7.749 8.190 0.023 -0.192 0.428 119 A N 7.112 129.979 122.820 0.079 0.000 2.527 119 A HA 0.628 4.996 4.320 0.080 0.000 0.293 119 A C -2.897 174.775 177.584 0.147 0.000 1.117 119 A CA -1.614 50.484 52.037 0.100 0.000 0.723 119 A CB 2.904 21.966 19.000 0.102 0.000 1.313 119 A HN 0.105 8.187 8.150 0.082 0.117 0.411 120 S N -1.979 113.798 115.700 0.128 0.000 2.687 120 S HA 0.659 5.360 4.470 0.168 -0.130 0.283 120 S C -0.836 173.830 174.600 0.109 0.000 1.170 120 S CA -1.570 56.709 58.200 0.132 0.000 1.008 120 S CB 1.903 65.159 63.200 0.093 0.000 1.026 120 S HN -0.031 8.338 8.310 0.100 0.000 0.541 121 I N 0.783 121.378 120.570 0.041 0.000 2.562 121 I HA 0.201 4.318 4.170 -0.088 0.000 0.301 121 I C -1.064 175.011 176.117 -0.070 0.000 1.003 121 I CA -1.811 59.420 61.300 -0.114 0.000 1.127 121 I CB 3.496 41.216 38.000 -0.467 0.000 1.304 121 I HN 0.379 8.625 8.210 0.060 0.000 0.446 122 S N 6.697 122.352 115.700 -0.074 0.000 2.580 122 S HA 0.195 4.652 4.470 -0.023 0.000 0.274 122 S C -0.509 174.064 174.600 -0.044 0.000 1.329 122 S CA 0.304 58.478 58.200 -0.042 0.000 1.036 122 S CB 0.639 63.818 63.200 -0.034 0.000 0.919 122 S HN 0.428 8.683 8.310 -0.091 0.000 0.515 123 L N 3.102 124.312 121.223 -0.021 0.000 2.439 123 L HA 0.080 4.418 4.340 -0.004 0.000 0.261 123 L C -1.147 175.718 176.870 -0.009 0.000 1.153 123 L CA -2.284 52.553 54.840 -0.005 0.000 0.808 123 L CB -0.082 41.982 42.059 0.009 0.000 1.126 123 L HN 0.166 8.386 8.230 -0.016 0.000 0.460 124 P HA 0.144 4.552 4.420 -0.020 0.000 0.276 124 P C -1.063 176.234 177.300 -0.005 0.000 1.244 124 P CA -0.705 62.389 63.100 -0.009 0.000 0.801 124 P CB 0.768 32.462 31.700 -0.009 0.000 1.006 128 c N 0.589 119.161 118.600 -0.046 0.000 2.500 128 c HA 0.103 4.630 4.570 -0.072 0.000 0.367 128 c C 0.061 174.090 174.090 -0.102 0.000 1.283 128 c CA -0.393 55.892 56.329 -0.073 0.000 2.456 128 c CB 0.513 42.984 42.510 -0.065 0.000 2.457 128 c HN -0.043 8.163 8.230 -0.040 0.000 0.632 129 A N 1.221 123.943 122.820 -0.162 0.000 2.282 129 A HA 0.096 4.343 4.320 -0.123 0.000 0.319 129 A C -1.152 176.326 177.584 -0.177 0.000 1.121 129 A CA -0.316 51.618 52.037 -0.171 0.000 0.836 129 A CB 1.091 19.957 19.000 -0.222 0.000 1.146 129 A HN 0.135 8.161 8.150 -0.207 0.000 0.494 133 G N 1.417 110.177 108.800 -0.067 0.000 2.279 133 G HA2 -0.219 3.708 3.960 -0.054 0.000 0.223 133 G HA3 -0.219 3.713 3.960 -0.046 0.000 0.223 133 G C -0.052 174.810 174.900 -0.063 0.000 1.015 133 G CA 0.116 45.182 45.100 -0.057 0.000 0.621 133 G HN 0.662 8.788 8.290 -0.073 0.120 0.506 134 T N 4.319 118.825 114.554 -0.080 0.000 2.928 134 T HA -0.154 4.160 4.350 -0.060 0.000 0.305 134 T C -0.787 173.868 174.700 -0.074 0.000 1.035 134 T CA 2.348 64.401 62.100 -0.079 0.000 1.145 134 T CB 0.428 69.233 68.868 -0.106 0.000 0.963 134 T HN -0.403 7.695 8.240 -0.093 0.086 0.545 135 Q N 4.316 124.086 119.800 -0.050 0.000 2.243 135 Q HA 0.130 4.561 4.340 -0.046 -0.119 0.252 135 Q C -0.938 175.043 176.000 -0.032 0.000 0.909 135 Q CA -0.019 55.764 55.803 -0.034 0.000 0.922 135 Q CB 1.503 30.238 28.738 -0.004 0.000 1.215 135 Q HN 0.232 8.477 8.270 -0.041 0.000 0.427 136 c N 0.965 119.547 118.600 -0.029 0.000 2.973 136 c HA 0.628 5.299 4.570 -0.019 -0.112 0.329 136 c C -1.667 172.428 174.090 0.009 0.000 1.327 136 c CA -1.448 54.867 56.329 -0.024 0.000 1.632 136 c CB 4.315 46.791 42.510 -0.057 0.000 2.098 136 c HN 0.909 8.998 8.230 -0.031 0.122 0.469 137 L N 0.668 121.903 121.223 0.020 0.000 2.356 137 L HA 0.889 5.447 4.340 0.054 -0.185 0.277 137 L C -2.287 174.600 176.870 0.028 0.000 0.996 137 L CA -1.339 53.529 54.840 0.047 0.000 0.822 137 L CB 3.386 45.496 42.059 0.085 0.000 1.256 137 L HN 0.526 8.658 8.230 0.012 0.105 0.413 138 I N 7.382 127.954 120.570 0.003 0.000 2.474 138 I HA 0.889 5.307 4.170 0.020 -0.236 0.294 138 I C -1.380 174.710 176.117 -0.045 0.000 1.005 138 I CA -1.608 59.690 61.300 -0.003 0.000 1.113 138 I CB 2.804 40.801 38.000 -0.005 0.000 1.289 138 I HN 0.993 9.205 8.210 0.004 0.000 0.436 139 S N 2.326 117.996 115.700 -0.050 0.000 2.618 139 S HA 0.979 5.471 4.470 -0.214 -0.150 0.277 139 S C -1.162 173.332 174.600 -0.176 0.000 1.138 139 S CA -1.754 56.344 58.200 -0.170 0.000 0.844 139 S CB 3.768 66.836 63.200 -0.220 0.000 1.127 139 S HN -0.194 8.119 8.310 0.005 0.000 0.474 140 G N -1.328 107.275 108.800 -0.329 0.000 2.321 140 G HA2 0.126 3.864 3.960 -0.370 0.000 0.298 140 G HA3 0.126 4.193 3.960 -0.041 -0.131 0.298 140 G C -2.346 172.356 174.900 -0.330 0.000 1.385 140 G CA 0.546 45.484 45.100 -0.269 0.000 0.856 140 G HN 0.255 8.287 8.290 -0.431 0.000 0.584 141 W N 1.085 122.349 121.300 -0.060 0.000 3.015 141 W HA 0.377 4.981 4.660 -0.093 0.000 0.429 141 W C -0.300 176.238 176.519 0.033 0.000 0.976 141 W CA -0.988 56.286 57.345 -0.117 0.000 2.086 141 W CB 0.113 29.322 29.460 -0.418 0.000 1.125 141 W HN 0.580 8.962 8.180 0.337 0.000 0.721 142 G N 0.765 109.694 108.800 0.216 0.000 2.588 142 G HA2 0.007 4.189 3.960 0.371 0.000 0.281 142 G HA3 0.007 4.244 3.960 0.158 -0.182 0.281 142 G C -0.964 173.835 174.900 -0.170 0.000 1.236 142 G CA -0.901 44.296 45.100 0.161 0.000 0.969 142 G HN -0.398 8.163 8.290 0.138 -0.188 0.504 143 N N -0.574 117.836 118.700 -0.484 0.000 2.294 143 N HA -0.318 3.927 4.740 -1.104 -0.167 0.248 143 N C 0.799 176.141 175.510 -0.280 0.000 1.242 143 N CA 1.314 53.957 53.050 -0.678 0.000 0.848 143 N CB 0.589 38.773 38.487 -0.505 0.000 1.084 143 N HN -0.078 8.114 8.380 -0.313 0.000 0.457 144 T N -0.606 113.812 114.554 -0.227 0.000 3.044 144 T HA 0.165 4.573 4.350 -0.090 -0.112 0.260 144 T C -0.059 174.598 174.700 -0.071 0.000 1.019 144 T CA 0.386 62.421 62.100 -0.109 0.000 0.921 144 T CB 1.554 70.376 68.868 -0.078 0.000 1.053 144 T HN 0.296 8.370 8.240 -0.277 0.000 0.533 145 K N 2.097 122.450 120.400 -0.078 0.000 2.221 145 K HA 0.362 4.667 4.320 -0.025 0.000 0.258 145 K C 0.106 176.692 176.600 -0.022 0.000 0.944 145 K CA -2.121 54.145 56.287 -0.036 0.000 0.823 145 K CB 2.167 34.653 32.500 -0.022 0.000 1.113 145 K HN -0.638 7.828 8.250 -0.122 -0.289 0.431 146 S N 2.941 118.637 115.700 -0.006 0.000 2.345 146 S HA -0.180 4.296 4.470 0.009 0.000 0.219 146 S C 0.291 174.899 174.600 0.014 0.000 1.031 146 S CA 2.261 60.465 58.200 0.007 0.000 0.984 146 S CB 0.275 63.482 63.200 0.011 0.000 0.874 146 S HN 0.348 8.654 8.310 -0.006 0.000 0.451 147 S N 1.962 117.669 115.700 0.012 0.000 2.514 147 S HA 0.136 4.619 4.470 0.021 0.000 0.179 147 S C -0.984 173.626 174.600 0.017 0.000 1.409 147 S CA -0.203 58.007 58.200 0.017 0.000 1.138 147 S CB -0.476 62.733 63.200 0.015 0.000 1.217 147 S HN -0.267 8.048 8.310 0.008 0.000 0.493 148 G N 1.594 110.406 108.800 0.019 0.000 2.324 148 G HA2 -0.090 3.889 3.960 0.031 0.000 0.293 148 G HA3 -0.090 3.882 3.960 0.019 0.000 0.293 148 G C -2.793 172.124 174.900 0.028 0.000 1.297 148 G CA 0.249 45.363 45.100 0.024 0.000 0.853 148 G HN -0.708 7.554 8.290 0.020 0.040 0.535 149 T N -0.170 114.411 114.554 0.045 0.000 2.881 149 T HA 0.194 4.736 4.350 0.016 -0.183 0.291 149 T C -1.543 173.204 174.700 0.077 0.000 0.990 149 T CA -0.288 61.855 62.100 0.072 0.000 0.976 149 T CB 2.407 71.369 68.868 0.157 0.000 0.970 149 T HN -0.095 8.173 8.240 0.047 0.000 0.438 150 S N 5.859 121.563 115.700 0.006 0.000 2.653 150 S HA 0.200 4.750 4.470 0.134 0.000 0.268 150 S C -2.280 172.294 174.600 -0.043 0.000 1.153 150 S CA 0.225 58.454 58.200 0.047 0.000 1.036 150 S CB 1.267 64.474 63.200 0.011 0.000 1.103 150 S HN 0.588 9.171 8.310 -0.147 -0.361 0.466 151 Y N 5.943 126.276 120.300 0.055 0.000 2.328 151 Y HA 0.250 4.850 4.550 0.083 0.000 0.337 151 Y C -1.131 174.812 175.900 0.072 0.000 1.008 151 Y CA -2.774 55.370 58.100 0.074 0.000 1.129 151 Y CB 1.049 39.559 38.460 0.082 0.000 1.185 151 Y HN 0.144 8.635 8.280 0.351 0.000 0.476 152 P HA 0.367 4.857 4.420 0.116 0.000 0.278 152 P C -1.657 175.767 177.300 0.206 0.000 1.258 152 P CA -0.692 62.495 63.100 0.145 0.000 0.811 152 P CB 2.097 33.847 31.700 0.084 0.000 1.063 153 D N -1.616 118.887 120.400 0.172 0.000 2.388 153 D HA -0.055 4.662 4.640 0.128 0.000 0.208 153 D C -1.452 175.014 176.300 0.277 0.000 1.035 153 D CA 0.950 55.048 54.000 0.162 0.000 0.875 153 D CB 0.960 41.816 40.800 0.092 0.000 0.984 153 D HN 0.412 8.861 8.370 0.132 0.000 0.508 154 V N -6.817 113.252 119.914 0.259 0.000 2.850 154 V HA 0.671 5.276 4.120 0.398 -0.247 0.315 154 V C -0.722 175.402 176.094 0.050 0.000 1.064 154 V CA -2.660 59.788 62.300 0.246 0.000 0.979 154 V CB 2.252 34.139 31.823 0.106 0.000 1.039 154 V HN -1.007 7.290 8.190 0.177 0.000 0.452 155 L N 2.497 123.597 121.223 -0.204 0.000 2.453 155 L HA -0.044 3.538 4.340 -1.263 0.000 0.272 155 L C -0.516 176.099 176.870 -0.425 0.000 1.182 155 L CA 0.797 55.207 54.840 -0.717 0.000 0.858 155 L CB 0.556 42.162 42.059 -0.755 0.000 1.120 155 L HN -0.247 8.155 8.230 -0.001 -0.173 0.474 156 K N 5.182 125.306 120.400 -0.459 0.000 2.203 156 K HA 0.657 4.924 4.320 -0.345 -0.154 0.251 156 K C -1.300 175.038 176.600 -0.436 0.000 0.944 156 K CA -2.505 53.564 56.287 -0.363 0.000 0.829 156 K CB 2.595 34.947 32.500 -0.246 0.000 1.125 156 K HN -0.141 7.763 8.250 -0.577 0.000 0.430 157 c N -0.422 117.814 118.600 -0.607 0.000 2.707 157 c HA 0.953 5.451 4.570 -0.400 -0.168 0.313 157 c C -1.869 171.859 174.090 -0.604 0.000 1.209 157 c CA -0.729 55.203 56.329 -0.661 0.000 1.635 157 c CB 3.608 45.560 42.510 -0.931 0.000 2.206 157 c HN 0.768 8.555 8.230 -0.737 0.000 0.485 158 L N 0.998 122.075 121.223 -0.242 0.000 2.493 158 L HA 0.459 4.831 4.340 0.053 0.000 0.265 158 L C -2.573 174.359 176.870 0.104 0.000 0.954 158 L CA 0.015 54.850 54.840 -0.008 0.000 0.844 158 L CB 4.466 46.535 42.059 0.015 0.000 1.302 158 L HN 0.859 8.983 8.230 -0.177 0.000 0.405 159 K N 6.490 127.014 120.400 0.207 0.000 2.213 159 K HA 0.886 5.502 4.320 0.121 -0.223 0.270 159 K C -1.094 175.629 176.600 0.205 0.000 1.002 159 K CA -0.823 55.569 56.287 0.175 0.000 0.868 159 K CB 1.339 33.949 32.500 0.185 0.000 1.093 159 K HN 0.260 8.668 8.250 0.264 0.000 0.454 160 A N 4.607 127.486 122.820 0.099 0.000 2.549 160 A HA 0.506 4.838 4.320 0.020 0.000 0.297 160 A C -3.320 174.201 177.584 -0.105 0.000 1.061 160 A CA -2.929 49.104 52.037 -0.007 0.000 0.690 160 A CB 3.009 22.003 19.000 -0.010 0.000 1.287 160 A HN 0.692 8.873 8.150 0.050 0.000 0.402 161 P HA 0.824 5.404 4.420 -0.102 -0.221 0.285 161 P C -1.096 176.129 177.300 -0.125 0.000 1.269 161 P CA -1.541 61.470 63.100 -0.149 0.000 0.844 161 P CB 1.718 33.329 31.700 -0.149 0.000 1.094 162 I N -0.290 120.226 120.570 -0.090 0.000 2.529 162 I HA -0.050 4.270 4.170 0.059 -0.114 0.284 162 I C 0.238 176.336 176.117 -0.032 0.000 1.082 162 I CA 0.575 61.851 61.300 -0.040 0.000 1.406 162 I CB 0.421 38.326 38.000 -0.159 0.000 1.405 162 I HN 0.112 8.260 8.210 -0.102 0.000 0.548 163 L N 6.674 127.913 121.223 0.028 0.000 2.387 163 L HA 0.260 4.587 4.340 -0.021 0.000 0.266 163 L C -0.296 176.592 176.870 0.030 0.000 1.059 163 L CA -1.023 53.824 54.840 0.013 0.000 0.801 163 L CB 0.874 42.949 42.059 0.026 0.000 1.223 163 L HN 0.315 8.610 8.230 0.107 0.000 0.456 164 S N -0.028 115.683 115.700 0.017 0.000 2.576 164 S HA -0.092 4.386 4.470 0.012 0.000 0.276 164 S C 0.410 175.036 174.600 0.044 0.000 1.339 164 S CA -0.705 57.507 58.200 0.020 0.000 1.039 164 S CB 0.866 64.072 63.200 0.011 0.000 0.902 164 S HN 0.263 8.578 8.310 0.008 0.000 0.516 165 D N 2.983 123.412 120.400 0.048 0.000 2.264 165 D HA -0.219 4.474 4.640 0.089 0.000 0.208 165 D C 1.855 178.189 176.300 0.057 0.000 0.966 165 D CA 3.774 57.814 54.000 0.066 0.000 0.864 165 D CB -0.151 40.686 40.800 0.063 0.000 0.933 165 D HN 0.582 8.973 8.370 0.035 0.000 0.499 166 S N -0.937 114.787 115.700 0.040 0.000 2.406 166 S HA -0.248 4.245 4.470 0.039 0.000 0.228 166 S C 1.601 176.220 174.600 0.031 0.000 1.020 166 S CA 3.247 61.468 58.200 0.034 0.000 0.965 166 S CB 0.115 63.328 63.200 0.022 0.000 0.798 166 S HN 0.022 8.326 8.310 0.032 0.026 0.488 167 S N 2.589 118.306 115.700 0.028 0.000 2.436 167 S HA -0.025 4.450 4.470 0.008 0.000 0.228 167 S C 1.690 176.308 174.600 0.029 0.000 1.014 167 S CA 2.429 60.639 58.200 0.018 0.000 0.950 167 S CB -0.133 63.075 63.200 0.013 0.000 0.784 167 S HN -0.557 7.684 8.310 0.029 0.087 0.504 168 c N 4.058 122.695 118.600 0.061 0.000 2.462 168 c HA -0.242 4.399 4.570 0.119 0.000 0.278 168 c C 1.767 175.942 174.090 0.142 0.000 1.253 168 c CA 2.933 59.329 56.329 0.111 0.000 1.713 168 c CB -1.733 40.848 42.510 0.117 0.000 2.049 168 c HN -0.175 7.986 8.230 0.060 0.105 0.477 169 K N -0.855 119.612 120.400 0.113 0.000 2.097 169 K HA -0.337 4.084 4.320 0.169 0.000 0.206 169 K C 2.338 178.985 176.600 0.078 0.000 1.049 169 K CA 3.165 59.522 56.287 0.117 0.000 0.933 169 K CB -0.081 32.471 32.500 0.087 0.000 0.717 169 K HN 0.099 8.404 8.250 0.092 0.000 0.442 170 S N -1.120 114.602 115.700 0.036 0.000 2.423 170 S HA -0.242 4.236 4.470 0.014 0.000 0.231 170 S C 0.405 174.978 174.600 -0.046 0.000 1.014 170 S CA 2.642 60.844 58.200 0.003 0.000 0.965 170 S CB -0.084 63.113 63.200 -0.006 0.000 0.785 170 S HN -0.267 8.065 8.310 0.035 0.000 0.495 171 A N -0.859 121.901 122.820 -0.099 0.000 1.930 171 A HA -0.075 4.077 4.320 -0.280 0.000 0.215 171 A C -0.912 176.395 177.584 -0.461 0.000 1.176 171 A CA 1.710 53.545 52.037 -0.337 0.000 0.632 171 A CB 0.788 19.492 19.000 -0.494 0.000 0.819 171 A HN -0.792 7.212 8.150 -0.044 0.120 0.445 172 Y N -5.342 114.995 120.300 0.061 0.000 2.658 172 Y HA 0.487 5.108 4.550 0.119 0.000 0.362 172 Y C -2.530 173.431 175.900 0.101 0.000 1.017 172 Y CA -3.208 54.963 58.100 0.117 0.000 1.134 172 Y CB 0.020 38.602 38.460 0.204 0.000 1.144 172 Y HN -0.569 7.678 8.280 0.096 0.090 0.655 173 P HA 0.036 4.616 4.420 0.103 -0.098 0.264 173 P C 0.470 177.836 177.300 0.109 0.000 1.193 173 P CA 0.392 63.557 63.100 0.108 0.000 0.763 173 P CB 0.245 31.983 31.700 0.063 0.000 0.810 174 G N 4.750 113.605 108.800 0.091 0.000 2.175 174 G HA2 -0.242 3.752 3.960 0.058 0.000 0.265 174 G HA3 -0.242 3.748 3.960 0.050 0.000 0.265 174 G C 0.066 175.011 174.900 0.075 0.000 0.979 174 G CA 0.935 46.076 45.100 0.068 0.000 0.663 174 G HN 0.446 8.788 8.290 0.087 0.000 0.533 175 Q N -2.283 117.597 119.800 0.133 0.000 2.280 175 Q HA 0.077 4.443 4.340 0.043 0.000 0.228 175 Q C -0.366 175.751 176.000 0.194 0.000 0.857 175 Q CA -0.157 55.726 55.803 0.134 0.000 0.939 175 Q CB 1.552 30.414 28.738 0.207 0.000 1.114 175 Q HN -0.336 7.969 8.270 0.174 0.069 0.514 176 I N -0.108 120.580 120.570 0.196 0.000 2.353 176 I HA 0.061 4.370 4.170 0.232 0.000 0.293 176 I C -0.084 176.107 176.117 0.123 0.000 0.992 176 I CA -2.210 59.199 61.300 0.182 0.000 1.268 176 I CB -0.469 37.631 38.000 0.167 0.000 1.387 176 I HN -0.568 7.749 8.210 0.179 0.000 0.478 177 T N 2.342 116.966 114.554 0.117 0.000 2.919 177 T HA 0.391 4.782 4.350 0.068 0.000 0.282 177 T C 1.034 175.786 174.700 0.087 0.000 1.020 177 T CA -2.224 59.926 62.100 0.083 0.000 0.994 177 T CB 2.813 71.722 68.868 0.068 0.000 1.180 177 T HN -0.365 7.961 8.240 0.143 0.000 0.566 178 S N -1.385 114.353 115.700 0.063 0.000 2.500 178 S HA -0.280 4.229 4.470 0.065 0.000 0.239 178 S C 0.086 174.728 174.600 0.070 0.000 0.989 178 S CA 2.708 60.941 58.200 0.056 0.000 0.951 178 S CB -0.344 62.870 63.200 0.023 0.000 0.759 178 S HN 0.310 8.649 8.310 0.048 0.000 0.523 179 N N 0.553 119.307 118.700 0.089 0.000 2.276 179 N HA 0.186 4.990 4.740 0.107 0.000 0.212 179 N C -1.700 173.929 175.510 0.199 0.000 1.127 179 N CA -0.399 52.734 53.050 0.140 0.000 0.834 179 N CB 0.788 39.380 38.487 0.174 0.000 1.014 179 N HN -0.661 7.705 8.380 0.085 0.065 0.491 180 M N -1.146 118.557 119.600 0.171 0.000 2.550 180 M HA 0.804 5.557 4.480 0.094 -0.217 0.292 180 M C -2.102 174.311 176.300 0.187 0.000 1.221 180 M CA -0.321 55.056 55.300 0.127 0.000 0.873 180 M CB 5.127 37.777 32.600 0.083 0.000 1.727 180 M HN -0.691 7.599 8.290 0.152 0.092 0.459 181 F N -4.997 114.994 119.950 0.069 0.000 2.662 181 F HA 0.640 5.194 4.527 0.044 0.000 0.312 181 F C -2.547 173.303 175.800 0.083 0.000 1.113 181 F CA -2.215 55.823 58.000 0.062 0.000 0.951 181 F CB 2.360 41.394 39.000 0.057 0.000 1.344 181 F HN 0.151 8.299 8.300 -0.253 0.000 0.462 182 c N -0.398 118.354 118.600 0.253 0.000 2.397 182 c HA 1.021 5.820 4.570 0.055 -0.196 0.343 182 c C -1.105 173.168 174.090 0.305 0.000 1.188 182 c CA -1.113 55.316 56.329 0.166 0.000 1.992 182 c CB 3.024 45.598 42.510 0.107 0.000 2.358 182 c HN 0.854 9.280 8.230 0.325 0.000 0.518 183 A N 2.846 125.830 122.820 0.273 0.000 2.530 183 A HA 0.688 5.203 4.320 0.075 -0.150 0.279 183 A C -2.317 175.319 177.584 0.087 0.000 1.109 183 A CA -0.388 51.725 52.037 0.128 0.000 0.763 183 A CB 2.597 21.574 19.000 -0.038 0.000 1.257 183 A HN 0.391 8.737 8.150 0.327 0.000 0.424 184 Y N 2.902 123.233 120.300 0.052 0.000 2.313 184 Y HA -0.049 4.520 4.550 0.033 0.000 0.332 184 Y C 0.414 176.330 175.900 0.027 0.000 1.071 184 Y CA -0.797 57.325 58.100 0.035 0.000 1.169 184 Y CB 1.269 39.747 38.460 0.030 0.000 1.192 184 Y HN 0.071 8.499 8.280 0.246 0.000 0.487 185 L N 1.642 122.943 121.223 0.131 0.000 2.313 185 L HA -0.243 4.129 4.340 0.054 0.000 0.214 185 L C 1.404 178.318 176.870 0.073 0.000 1.119 185 L CA 1.894 56.777 54.840 0.071 0.000 0.809 185 L CB -0.246 41.835 42.059 0.036 0.000 0.933 185 L HN 0.336 8.634 8.230 0.114 0.000 0.449 186 E N -1.746 118.515 120.200 0.102 0.000 2.274 186 E HA -0.168 4.209 4.350 0.044 0.000 0.194 186 E C 0.360 176.992 176.600 0.054 0.000 0.996 186 E CA 0.289 56.728 56.400 0.064 0.000 0.840 186 E CB -0.127 29.608 29.700 0.058 0.000 0.772 186 E HN 0.179 8.594 8.360 0.152 0.037 0.491 187 G N 0.359 109.209 108.800 0.083 0.000 3.439 187 G HA2 -0.364 3.646 3.960 0.083 0.000 0.686 187 G HA3 -0.364 3.621 3.960 0.041 0.000 0.686 187 G C -0.866 174.056 174.900 0.036 0.000 1.075 187 G CA -0.564 44.574 45.100 0.063 0.000 0.926 187 G HN -0.770 7.455 8.290 0.135 0.146 0.485 188 K N 1.873 122.276 120.400 0.005 0.000 6.706 188 K HA -0.595 4.007 4.320 0.021 -0.269 0.669 188 K C -1.286 175.408 176.600 0.157 0.000 2.465 188 K CA 0.774 57.089 56.287 0.047 0.000 1.801 188 K CB 0.075 32.543 32.500 -0.053 0.000 1.883 188 K HN 0.173 8.445 8.250 0.037 0.000 0.285 189 D N 0.541 121.013 120.400 0.120 0.000 2.725 189 D HA 0.277 5.028 4.640 0.186 0.000 0.292 189 D C -1.858 174.504 176.300 0.104 0.000 1.288 189 D CA -0.697 53.384 54.000 0.135 0.000 0.784 189 D CB 3.823 44.684 40.800 0.102 0.000 1.308 189 D HN 0.037 8.455 8.370 0.079 0.000 0.429 190 S N -1.586 114.188 115.700 0.124 0.000 2.707 190 S HA 0.279 4.852 4.470 0.077 -0.056 0.276 190 S C -1.474 173.161 174.600 0.058 0.000 1.179 190 S CA -0.445 57.817 58.200 0.103 0.000 0.992 190 S CB 1.810 65.116 63.200 0.177 0.000 1.030 190 S HN 0.247 8.647 8.310 0.150 0.000 0.554 191 c N -1.812 116.822 118.600 0.057 0.000 3.293 191 c HA 0.212 4.811 4.570 0.048 0.000 0.362 191 c C -1.539 172.609 174.090 0.097 0.000 1.539 191 c CA -0.464 55.896 56.329 0.052 0.000 1.201 191 c CB 3.086 45.604 42.510 0.013 0.000 1.770 191 c HN 0.393 8.928 8.230 0.073 -0.260 0.440 192 Q N 1.827 121.696 119.800 0.115 0.000 2.304 192 Q HA -0.346 4.115 4.340 0.202 0.000 0.301 192 Q C 0.971 177.122 176.000 0.252 0.000 1.063 192 Q CA 2.098 58.016 55.803 0.191 0.000 0.947 192 Q CB 0.574 29.435 28.738 0.205 0.000 1.201 192 Q HN 0.519 8.842 8.270 0.088 0.000 0.389 193 G N 6.375 115.352 108.800 0.294 0.000 2.254 193 G HA2 -0.413 3.764 3.960 0.363 0.000 0.225 193 G HA3 -0.413 3.863 3.960 0.528 0.000 0.225 193 G C 0.586 175.710 174.900 0.372 0.000 1.003 193 G CA 0.926 46.267 45.100 0.401 0.000 0.622 193 G HN 0.359 8.806 8.290 0.262 0.000 0.507 194 D N 2.331 122.881 120.400 0.249 0.000 2.346 194 D HA 0.091 4.871 4.640 0.233 0.000 0.206 194 D C -0.049 176.356 176.300 0.175 0.000 1.001 194 D CA 0.951 55.071 54.000 0.200 0.000 0.871 194 D CB 0.576 41.457 40.800 0.135 0.000 0.943 194 D HN 0.197 8.595 8.370 0.213 0.100 0.518 195 S N -0.306 115.499 115.700 0.176 0.000 2.642 195 S HA -0.355 4.378 4.470 0.202 -0.142 0.308 195 S C 1.148 175.783 174.600 0.057 0.000 1.255 195 S CA 1.960 60.253 58.200 0.156 0.000 1.057 195 S CB -0.856 62.452 63.200 0.180 0.000 0.785 195 S HN -0.469 7.904 8.310 0.198 0.056 0.500 196 G N 5.132 113.967 108.800 0.058 0.000 2.253 196 G HA2 -0.452 3.592 3.960 0.025 0.000 0.251 196 G HA3 -0.452 3.607 3.960 -0.026 -0.115 0.251 196 G C -0.054 174.898 174.900 0.086 0.000 0.998 196 G CA 0.406 45.523 45.100 0.028 0.000 0.621 196 G HN 0.614 8.976 8.290 0.121 0.000 0.524 197 G N 0.992 109.864 108.800 0.119 0.000 2.651 197 G HA2 0.308 4.353 3.960 0.141 0.000 0.260 197 G HA3 0.308 4.350 3.960 0.137 0.000 0.260 197 G C -2.609 172.381 174.900 0.150 0.000 1.216 197 G CA -1.887 43.296 45.100 0.139 0.000 0.913 197 G HN -0.146 8.125 8.290 0.125 0.094 0.535 198 P HA 0.328 4.952 4.420 0.130 -0.126 0.281 198 P C -1.571 175.796 177.300 0.111 0.000 1.249 198 P CA -0.836 62.355 63.100 0.152 0.000 0.810 198 P CB 1.666 33.507 31.700 0.236 0.000 1.008 199 V N 1.872 121.828 119.914 0.070 0.000 2.419 199 V HA 0.322 4.614 4.120 -0.011 -0.179 0.287 199 V C -1.290 174.810 176.094 0.010 0.000 1.017 199 V CA -0.451 61.853 62.300 0.007 0.000 0.844 199 V CB 1.950 33.749 31.823 -0.040 0.000 1.011 199 V HN -0.257 7.978 8.190 0.075 0.000 0.429 200 V N 7.994 127.905 119.914 -0.005 0.000 2.417 200 V HA 0.619 4.886 4.120 -0.077 -0.194 0.291 200 V C -1.283 174.789 176.094 -0.036 0.000 1.024 200 V CA -1.279 60.989 62.300 -0.053 0.000 0.861 200 V CB 2.813 34.578 31.823 -0.098 0.000 0.985 200 V HN 0.749 8.952 8.190 0.021 0.000 0.436 201 c N 6.535 125.101 118.600 -0.055 0.000 2.431 201 c HA 0.610 5.156 4.570 -0.039 0.000 0.321 201 c C 0.620 174.678 174.090 -0.053 0.000 1.202 201 c CA -1.749 54.547 56.329 -0.056 0.000 1.398 201 c CB 1.885 44.341 42.510 -0.090 0.000 2.047 201 c HN 0.627 8.817 8.230 -0.067 0.000 0.465 202 S N 4.118 119.795 115.700 -0.037 0.000 3.549 202 S HA -0.462 3.995 4.470 -0.021 0.000 0.366 202 S C 0.116 174.696 174.600 -0.033 0.000 1.012 202 S CA 1.017 59.199 58.200 -0.031 0.000 1.141 202 S CB -1.248 61.929 63.200 -0.038 0.000 0.910 202 S HN 1.142 9.435 8.310 -0.029 0.000 0.471 203 G N -4.876 103.903 108.800 -0.034 0.000 2.153 203 G HA2 -0.445 3.491 3.960 -0.041 0.000 0.252 203 G HA3 -0.445 3.498 3.960 -0.028 0.000 0.252 203 G C -0.832 174.023 174.900 -0.075 0.000 0.994 203 G CA 0.505 45.578 45.100 -0.044 0.000 0.698 203 G HN 0.372 8.627 8.290 -0.027 0.019 0.521 210 Q N 1.120 120.936 119.800 0.027 0.000 2.392 210 Q HA 0.197 4.571 4.340 0.057 0.000 0.219 210 Q C -0.234 175.927 176.000 0.268 0.000 0.895 210 Q CA 0.145 55.986 55.803 0.064 0.000 0.929 210 Q CB 2.552 31.242 28.738 -0.079 0.000 1.077 210 Q HN 0.341 8.616 8.270 0.008 0.000 0.532 211 G N -3.053 105.918 108.800 0.285 0.000 2.695 211 G HA2 0.586 5.046 3.960 0.413 0.000 0.290 211 G HA3 0.586 4.811 3.960 0.442 0.000 0.290 211 G C -3.280 171.746 174.900 0.211 0.000 1.410 211 G CA -0.552 44.764 45.100 0.360 0.000 0.844 211 G HN -0.411 7.981 8.290 0.170 0.000 0.478 212 I N -1.390 119.304 120.570 0.207 0.000 2.498 212 I HA 0.536 5.018 4.170 0.174 -0.207 0.290 212 I C -0.539 175.720 176.117 0.236 0.000 1.032 212 I CA -1.399 60.010 61.300 0.181 0.000 1.073 212 I CB 4.349 42.420 38.000 0.120 0.000 1.251 212 I HN -0.441 7.886 8.210 0.195 0.000 0.426 213 V N 7.214 127.276 119.914 0.248 0.000 2.458 213 V HA -0.226 3.977 4.120 0.138 0.000 0.287 213 V C -1.032 175.114 176.094 0.086 0.000 1.009 213 V CA 1.992 64.394 62.300 0.170 0.000 1.091 213 V CB -0.972 30.966 31.823 0.192 0.000 0.960 213 V HN 0.402 8.721 8.190 0.216 0.000 0.476 214 S N 7.788 123.422 115.700 -0.111 0.000 3.066 214 S HA 0.321 5.086 4.470 0.362 -0.078 0.235 214 S C -0.637 173.967 174.600 0.006 0.000 0.995 214 S CA 0.949 59.191 58.200 0.071 0.000 0.835 214 S CB 1.968 65.212 63.200 0.073 0.000 0.814 214 S HN -0.040 7.993 8.310 -0.462 0.000 0.594 215 W N -3.582 117.508 121.300 -0.351 0.000 2.871 215 W HA 0.292 4.799 4.660 -0.255 0.000 0.416 215 W C -3.150 173.172 176.519 -0.328 0.000 1.108 215 W CA -0.298 56.857 57.345 -0.318 0.000 1.179 215 W CB 0.375 29.642 29.460 -0.323 0.000 1.479 215 W HN 0.016 7.834 8.180 -0.604 0.000 0.598 216 G N -2.540 106.252 108.800 -0.013 0.000 2.321 216 G HA2 0.151 3.751 3.960 -0.600 0.000 0.296 216 G HA3 0.151 4.011 3.960 -0.167 0.000 0.296 216 G C -2.315 172.697 174.900 0.188 0.000 1.287 216 G CA 0.143 45.144 45.100 -0.165 0.000 0.846 216 G HN -0.018 8.480 8.290 0.346 0.000 0.508 220 c N 1.537 120.170 118.600 0.054 0.000 3.471 220 c HA 0.278 5.033 4.570 0.048 -0.156 0.191 220 c C -1.291 172.825 174.090 0.043 0.000 1.480 220 c CA -1.216 55.140 56.329 0.045 0.000 1.281 220 c CB -1.447 41.081 42.510 0.031 0.000 1.898 220 c HN 0.336 8.596 8.230 0.050 0.000 0.533 221 Q N -1.396 118.433 119.800 0.048 0.000 2.920 221 Q HA 0.077 4.435 4.340 0.030 0.000 0.255 221 Q C -1.514 174.505 176.000 0.032 0.000 0.976 221 Q CA -0.408 55.416 55.803 0.036 0.000 0.862 221 Q CB 2.954 31.713 28.738 0.035 0.000 1.952 221 Q HN 0.095 8.399 8.270 0.056 0.000 0.489 222 K N 3.341 123.754 120.400 0.021 0.000 2.401 222 K HA -0.327 4.149 4.320 0.029 -0.138 0.278 222 K C -0.040 176.556 176.600 -0.007 0.000 1.018 222 K CA 1.111 57.408 56.287 0.016 0.000 0.981 222 K CB 0.161 32.668 32.500 0.011 0.000 0.933 222 K HN 0.291 8.552 8.250 0.018 0.000 0.477 223 N N 2.560 121.253 118.700 -0.011 0.000 2.708 223 N HA -0.478 4.239 4.740 -0.039 0.000 0.251 223 N C -1.619 173.818 175.510 -0.121 0.000 1.123 223 N CA 1.933 54.951 53.050 -0.053 0.000 0.739 223 N CB -0.779 37.671 38.487 -0.062 0.000 1.113 223 N HN 0.849 9.107 8.380 0.011 0.128 0.561 224 K N -1.375 118.982 120.400 -0.071 0.000 2.842 224 K HA 0.536 4.664 4.320 -0.320 0.000 0.176 224 K C -2.454 174.183 176.600 0.062 0.000 1.080 224 K CA -3.723 52.514 56.287 -0.084 0.000 0.954 224 K CB 0.497 33.000 32.500 0.004 0.000 1.203 224 K HN -0.751 7.435 8.250 -0.015 0.055 0.611 225 P HA -0.019 4.458 4.420 0.095 0.000 0.275 225 P C -0.609 176.727 177.300 0.061 0.000 1.266 225 P CA -0.521 62.637 63.100 0.097 0.000 0.793 225 P CB 1.208 32.957 31.700 0.082 0.000 1.074 226 G N -2.414 106.393 108.800 0.012 0.000 2.503 226 G HA2 0.301 4.066 3.960 -0.324 0.000 0.257 226 G HA3 0.301 4.211 3.960 -0.219 -0.081 0.257 226 G C -1.784 172.786 174.900 -0.550 0.000 1.214 226 G CA -0.672 44.267 45.100 -0.267 0.000 0.839 226 G HN -0.385 7.972 8.290 0.111 0.000 0.559 227 V N 2.036 121.301 119.914 -1.082 0.000 2.459 227 V HA 0.623 4.482 4.120 -0.713 -0.167 0.295 227 V C -0.989 174.329 176.094 -1.294 0.000 1.029 227 V CA -0.970 60.641 62.300 -1.148 0.000 0.874 227 V CB 2.080 32.782 31.823 -1.869 0.000 0.985 227 V HN 0.559 8.075 8.190 -1.124 0.000 0.438 228 Y N 5.222 125.107 120.300 -0.691 0.000 2.485 228 Y HA 0.566 5.021 4.550 -0.382 -0.135 0.345 228 Y C 0.313 175.925 175.900 -0.480 0.000 0.998 228 Y CA -2.262 55.447 58.100 -0.652 0.000 1.059 228 Y CB 3.651 41.448 38.460 -1.105 0.000 1.234 228 Y HN 1.027 8.917 8.280 -0.650 0.000 0.461 229 T N 5.032 119.557 114.554 -0.048 0.000 2.870 229 T HA -0.010 4.556 4.350 0.111 -0.149 0.300 229 T C -0.596 174.249 174.700 0.242 0.000 0.989 229 T CA 1.631 63.789 62.100 0.097 0.000 1.139 229 T CB 0.426 69.339 68.868 0.076 0.000 0.920 229 T HN 0.326 8.569 8.240 0.005 0.000 0.537 230 K N 8.466 129.089 120.400 0.370 0.000 2.127 230 K HA 0.146 4.899 4.320 0.721 0.000 0.261 230 K C 0.933 177.786 176.600 0.421 0.000 1.129 230 K CA -0.763 55.818 56.287 0.491 0.000 0.993 230 K CB -0.368 32.366 32.500 0.391 0.000 1.410 230 K HN 0.163 8.505 8.250 0.332 0.108 0.380 231 V N 5.503 125.649 119.914 0.387 0.000 2.453 231 V HA -0.528 3.889 4.120 0.495 0.000 0.252 231 V C 1.363 177.622 176.094 0.275 0.000 1.068 231 V CA 3.668 66.183 62.300 0.359 0.000 1.070 231 V CB -0.307 31.656 31.823 0.233 0.000 0.664 231 V HN 0.148 8.580 8.190 0.403 0.000 0.461 232 c N -4.100 114.596 118.600 0.159 0.000 2.409 232 c HA -0.195 4.420 4.570 0.075 0.000 0.288 232 c C 1.519 175.628 174.090 0.032 0.000 1.395 232 c CA 1.368 57.741 56.329 0.074 0.000 1.792 232 c CB -2.129 40.393 42.510 0.020 0.000 1.847 232 c HN 0.476 8.775 8.230 0.155 0.023 0.534 233 N N 0.287 118.975 118.700 -0.020 0.000 2.463 233 N HA -0.065 4.577 4.740 -0.164 0.000 0.181 233 N C -0.104 175.162 175.510 -0.406 0.000 1.078 233 N CA 1.097 53.988 53.050 -0.264 0.000 0.902 233 N CB 0.051 38.238 38.487 -0.500 0.000 0.970 233 N HN -0.360 8.011 8.380 0.069 0.050 0.451 234 Y N -4.718 115.663 120.300 0.135 0.000 2.612 234 Y HA 0.142 4.855 4.550 0.272 0.000 0.250 234 Y C 0.214 176.259 175.900 0.242 0.000 1.175 234 Y CA -0.684 57.562 58.100 0.243 0.000 1.205 234 Y CB -0.322 38.319 38.460 0.302 0.000 1.201 234 Y HN -0.208 8.021 8.280 0.209 0.177 0.532 235 V N 1.059 121.112 119.914 0.233 0.000 2.295 235 V HA -0.561 3.644 4.120 0.142 0.000 0.246 235 V C 1.314 177.471 176.094 0.106 0.000 1.049 235 V CA 4.966 67.350 62.300 0.141 0.000 1.024 235 V CB -0.510 31.359 31.823 0.076 0.000 0.648 235 V HN -0.617 7.670 8.190 0.163 0.000 0.447 236 S N 0.026 115.794 115.700 0.114 0.000 2.368 236 S HA -0.340 4.149 4.470 0.031 0.000 0.225 236 S C 1.638 176.299 174.600 0.102 0.000 1.030 236 S CA 3.659 61.908 58.200 0.082 0.000 0.999 236 S CB -0.515 62.734 63.200 0.083 0.000 0.844 236 S HN 0.139 8.518 8.310 0.115 0.000 0.459 237 W N 3.519 124.860 121.300 0.068 0.000 2.358 237 W HA -0.187 4.494 4.660 0.035 0.000 0.303 237 W C 1.216 177.749 176.519 0.022 0.000 1.208 237 W CA 3.045 60.435 57.345 0.075 0.000 1.274 237 W CB 0.021 29.610 29.460 0.214 0.000 1.138 237 W HN -0.447 7.960 8.180 0.380 0.000 0.515 238 I N -0.477 120.013 120.570 -0.133 0.000 2.142 238 I HA -0.770 2.872 4.170 -0.879 0.000 0.240 238 I C 1.864 177.717 176.117 -0.440 0.000 1.078 238 I CA 4.604 65.644 61.300 -0.434 0.000 1.343 238 I CB -0.203 37.732 38.000 -0.108 0.000 1.046 238 I HN 0.385 8.735 8.210 0.234 0.000 0.405 239 K N -1.676 118.577 120.400 -0.244 0.000 2.032 239 K HA -0.505 3.664 4.320 -0.253 0.000 0.209 239 K C 2.543 178.988 176.600 -0.259 0.000 1.048 239 K CA 3.848 60.001 56.287 -0.223 0.000 0.927 239 K CB -0.410 32.021 32.500 -0.115 0.000 0.712 239 K HN 0.033 8.202 8.250 -0.134 0.000 0.441 240 Q N -1.347 118.315 119.800 -0.230 0.000 2.084 240 Q HA -0.311 3.940 4.340 -0.148 0.000 0.202 240 Q C 2.360 178.184 176.000 -0.293 0.000 0.978 240 Q CA 3.550 59.234 55.803 -0.199 0.000 0.844 240 Q CB -0.129 28.540 28.738 -0.115 0.000 0.898 240 Q HN -0.049 8.107 8.270 -0.191 0.000 0.426 241 T N 2.134 116.395 114.554 -0.487 0.000 2.737 241 T HA -0.296 3.840 4.350 -0.356 0.000 0.265 241 T C 2.506 176.851 174.700 -0.592 0.000 1.038 241 T CA 5.164 66.933 62.100 -0.552 0.000 1.144 241 T CB -0.235 68.082 68.868 -0.918 0.000 0.866 241 T HN -0.023 7.863 8.240 -0.590 0.000 0.434 242 I N -2.252 117.827 120.570 -0.818 0.000 2.493 242 I HA -0.164 3.089 4.170 -1.529 0.000 0.254 242 I C 1.298 177.156 176.117 -0.432 0.000 1.160 242 I CA 2.891 63.533 61.300 -1.095 0.000 1.445 242 I CB -0.675 36.455 38.000 -1.450 0.000 1.086 242 I HN 0.059 7.801 8.210 -0.780 0.000 0.433 243 A N -0.381 122.261 122.820 -0.297 0.000 2.119 243 A HA -0.087 4.183 4.320 -0.083 0.000 0.216 243 A C 0.444 177.987 177.584 -0.068 0.000 1.152 243 A CA 1.662 53.621 52.037 -0.129 0.000 0.708 243 A CB -0.223 18.710 19.000 -0.112 0.000 0.805 243 A HN -0.199 7.721 8.150 -0.347 0.022 0.460 244 S N -3.096 112.549 115.700 -0.091 0.000 2.554 244 S HA 0.144 4.608 4.470 -0.011 0.000 0.226 244 S C -0.856 173.759 174.600 0.025 0.000 0.980 244 S CA 0.232 58.413 58.200 -0.031 0.000 0.939 244 S CB 0.738 63.909 63.200 -0.048 0.000 0.832 244 S HN -0.519 7.535 8.310 -0.168 0.155 0.486 245 N N 0.000 118.749 118.700 0.082 0.000 1.763 245 N HA 0.000 4.831 4.740 0.151 0.000 0.220 245 N CA 0.000 53.185 53.050 0.225 0.000 0.885 245 N CB 0.000 38.686 38.487 0.331 0.000 1.341 245 N HN 0.000 8.243 8.380 0.047 0.166 0.667