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 1utq_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 4.175 4.170 0.008 0.000 0.288 16 I C 0.000 176.100 176.117 -0.028 0.000 1.063 16 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 16 I CB 0.000 37.956 38.000 -0.073 0.000 1.214 17 V N 5.448 125.358 119.914 -0.005 0.000 2.427 17 V HA 0.231 4.465 4.120 -0.023 -0.127 0.286 17 V C 0.740 176.835 176.094 0.002 0.000 1.034 17 V CA -1.968 60.327 62.300 -0.009 0.000 0.893 17 V CB 0.717 32.540 31.823 -0.000 0.000 0.982 17 V HN 0.722 8.920 8.190 0.014 0.000 0.452 18 G N 6.763 115.559 108.800 -0.007 0.000 2.143 18 G HA2 -0.376 3.743 3.960 -0.014 0.000 0.248 18 G HA3 -0.376 3.579 3.960 -0.010 0.000 0.248 18 G C -0.853 174.057 174.900 0.016 0.000 0.991 18 G CA 0.467 45.563 45.100 -0.006 0.000 0.689 18 G HN 0.805 9.088 8.290 -0.012 0.000 0.522 19 G N -0.475 108.332 108.800 0.012 0.000 2.702 19 G HA2 0.562 4.600 3.960 -0.070 0.000 0.254 19 G HA3 0.562 4.579 3.960 0.094 0.000 0.254 19 G C -1.565 173.388 174.900 0.087 0.000 1.380 19 G CA -1.148 43.965 45.100 0.022 0.000 1.042 19 G HN -0.656 7.591 8.290 -0.009 0.037 0.557 20 Y N -5.947 114.331 120.300 -0.036 0.000 2.581 20 Y HA 0.394 4.924 4.550 -0.034 0.000 0.345 20 Y C -1.527 174.343 175.900 -0.050 0.000 1.036 20 Y CA -2.821 55.256 58.100 -0.037 0.000 1.042 20 Y CB 1.510 39.952 38.460 -0.031 0.000 1.289 20 Y HN 0.255 8.296 8.280 -0.398 0.000 0.471 21 T N 3.130 117.731 114.554 0.078 0.000 2.817 21 T HA -0.024 4.400 4.350 -0.097 -0.133 0.295 21 T C 0.117 174.837 174.700 0.034 0.000 0.958 21 T CA 1.708 63.804 62.100 -0.006 0.000 1.157 21 T CB -0.007 68.883 68.868 0.037 0.000 0.898 21 T HN 0.149 8.475 8.240 0.143 0.000 0.536 22 c N 5.903 124.424 118.600 -0.131 0.000 2.429 22 c HA -0.176 4.372 4.570 -0.037 0.000 0.277 22 c C 0.207 174.316 174.090 0.032 0.000 1.262 22 c CA 1.291 57.571 56.329 -0.081 0.000 1.733 22 c CB -0.147 42.241 42.510 -0.203 0.000 2.010 22 c HN 0.326 8.433 8.230 -0.205 0.000 0.483 23 G N -2.204 106.596 108.800 0.001 0.000 2.784 23 G HA2 -0.284 3.693 3.960 0.027 0.000 0.686 23 G HA3 -0.284 3.688 3.960 0.020 0.000 0.686 23 G C -1.928 172.970 174.900 -0.004 0.000 1.156 23 G CA -0.725 44.383 45.100 0.014 0.000 0.757 23 G HN -0.508 7.739 8.290 -0.024 0.029 0.642 24 A N 3.550 126.377 122.820 0.011 0.000 2.546 24 A HA -0.206 4.275 4.320 0.023 -0.147 0.243 24 A C -0.087 177.500 177.584 0.005 0.000 1.063 24 A CA 1.181 53.228 52.037 0.017 0.000 0.757 24 A CB 0.138 19.155 19.000 0.028 0.000 0.991 24 A HN 0.290 8.450 8.150 0.018 0.000 0.503 25 N N -2.748 115.951 118.700 -0.001 0.000 2.741 25 N HA -0.349 4.380 4.740 -0.018 0.000 0.251 25 N C 0.730 176.220 175.510 -0.034 0.000 1.112 25 N CA 1.604 54.646 53.050 -0.012 0.000 0.750 25 N CB -0.841 37.651 38.487 0.008 0.000 1.119 25 N HN 0.399 8.782 8.380 0.005 0.000 0.561 26 T N -3.768 110.757 114.554 -0.048 0.000 3.085 26 T HA -0.055 4.283 4.350 -0.020 0.000 0.263 26 T C 0.171 174.812 174.700 -0.097 0.000 1.127 26 T CA 2.130 64.204 62.100 -0.044 0.000 1.103 26 T CB 0.523 69.381 68.868 -0.018 0.000 0.921 26 T HN -0.500 7.654 8.240 -0.049 0.058 0.510 27 V N 2.049 121.839 119.914 -0.206 0.000 2.271 27 V HA 0.410 4.261 4.120 -0.448 0.000 0.259 27 V C -1.488 174.291 176.094 -0.525 0.000 1.030 27 V CA -3.607 58.419 62.300 -0.456 0.000 0.957 27 V CB -0.179 31.343 31.823 -0.501 0.000 1.186 27 V HN -0.366 7.663 8.190 -0.183 0.051 0.471 28 P HA 0.130 4.498 4.420 -0.087 0.000 0.237 28 P C 0.118 177.384 177.300 -0.056 0.000 1.178 28 P CA 1.385 64.418 63.100 -0.112 0.000 0.766 28 P CB -0.147 31.555 31.700 0.004 0.000 0.876 29 Y N -5.426 114.901 120.300 0.045 0.000 2.500 29 Y HA 0.455 5.195 4.550 0.060 -0.154 0.270 29 Y C -0.380 175.561 175.900 0.068 0.000 1.134 29 Y CA -3.120 55.013 58.100 0.055 0.000 1.293 29 Y CB -1.208 37.280 38.460 0.046 0.000 1.063 29 Y HN -0.444 7.383 8.280 -0.656 0.059 0.534 30 Q N 2.855 122.512 119.800 -0.238 0.000 2.297 30 Q HA 0.039 4.544 4.340 0.070 -0.123 0.267 30 Q C -0.156 175.933 176.000 0.148 0.000 1.006 30 Q CA 0.293 56.075 55.803 -0.036 0.000 0.896 30 Q CB 0.665 29.280 28.738 -0.205 0.000 1.186 30 Q HN -0.636 7.269 8.270 -0.531 0.046 0.392 31 V N 2.492 122.532 119.914 0.211 0.000 2.815 31 V HA 0.623 4.979 4.120 0.220 -0.104 0.314 31 V C -1.925 174.342 176.094 0.287 0.000 1.064 31 V CA -2.888 59.538 62.300 0.211 0.000 0.952 31 V CB 3.201 35.096 31.823 0.121 0.000 1.020 31 V HN 0.113 8.423 8.190 0.199 0.000 0.439 32 S N 2.775 118.553 115.700 0.130 0.000 2.437 32 S HA 0.460 5.034 4.470 0.174 0.000 0.305 32 S C -0.774 173.724 174.600 -0.170 0.000 1.109 32 S CA -1.837 56.363 58.200 -0.001 0.000 1.099 32 S CB 1.083 64.075 63.200 -0.346 0.000 1.004 32 S HN -0.057 8.300 8.310 0.079 0.000 0.475 33 L N 7.936 128.931 121.223 -0.381 0.000 2.276 33 L HA 0.543 4.796 4.340 -0.359 -0.129 0.286 33 L C -1.108 175.343 176.870 -0.700 0.000 1.061 33 L CA -0.614 53.866 54.840 -0.601 0.000 0.807 33 L CB 0.478 41.986 42.059 -0.919 0.000 1.177 33 L HN 0.470 8.454 8.230 -0.409 0.000 0.429 38 G N 0.672 109.179 108.800 -0.488 0.000 2.218 38 G HA2 -0.204 3.675 3.960 -0.134 0.000 0.216 38 G HA3 -0.204 3.665 3.960 -0.151 0.000 0.216 38 G C -1.915 172.925 174.900 -0.101 0.000 0.994 38 G CA 0.272 45.228 45.100 -0.241 0.000 0.637 38 G HN 0.164 8.521 8.290 -0.397 -0.304 0.505 39 Y N -6.844 113.429 120.300 -0.046 0.000 2.620 39 Y HA 0.216 4.731 4.550 -0.059 0.000 0.331 39 Y C -2.374 173.531 175.900 0.008 0.000 1.173 39 Y CA -3.308 54.772 58.100 -0.034 0.000 1.076 39 Y CB 0.742 39.183 38.460 -0.032 0.000 1.336 39 Y HN -1.274 6.632 8.280 -0.734 -0.066 0.459 40 H N 2.859 121.935 119.070 0.010 0.000 2.886 40 H HA -0.135 4.457 4.556 -0.207 -0.160 0.329 40 H C -0.256 175.173 175.328 0.167 0.000 1.044 40 H CA 0.506 56.507 56.048 -0.078 0.000 1.456 40 H CB 0.295 29.941 29.762 -0.193 0.000 1.464 40 H HN 0.370 8.759 8.280 0.182 0.000 0.573 41 F N 1.994 121.560 119.950 -0.640 0.000 2.876 41 F HA 0.325 4.751 4.527 -0.169 0.000 0.344 41 F C -1.466 174.084 175.800 -0.417 0.000 1.029 41 F CA -0.681 57.120 58.000 -0.332 0.000 1.154 41 F CB 1.595 40.559 39.000 -0.060 0.000 1.040 41 F HN 0.031 7.724 8.300 -1.011 0.000 0.576 42 c N -1.104 116.810 118.600 -1.143 0.000 3.307 42 c HA 0.322 4.815 4.570 -0.218 -0.054 0.333 42 c C -1.510 172.381 174.090 -0.332 0.000 1.291 42 c CA -0.091 55.917 56.329 -0.534 0.000 1.273 42 c CB 3.998 46.242 42.510 -0.444 0.000 1.580 42 c HN -0.814 6.467 8.230 -1.582 0.000 0.481 43 G N -0.660 108.156 108.800 0.027 0.000 2.535 43 G HA2 0.710 4.810 3.960 0.232 0.000 0.303 43 G HA3 0.710 4.983 3.960 0.256 -0.159 0.303 43 G C -2.093 172.834 174.900 0.044 0.000 1.237 43 G CA -1.353 43.845 45.100 0.163 0.000 0.986 43 G HN 0.540 8.861 8.290 0.052 0.000 0.494 44 G N -3.663 105.200 108.800 0.105 0.000 2.550 44 G HA2 0.333 4.332 3.960 0.066 0.000 0.293 44 G HA3 0.333 4.788 3.960 0.085 -0.444 0.293 44 G C -2.592 172.400 174.900 0.153 0.000 1.402 44 G CA 0.276 45.433 45.100 0.095 0.000 0.784 44 G HN -0.624 7.762 8.290 0.160 0.000 0.482 45 S N -1.006 114.789 115.700 0.158 0.000 2.557 45 S HA 0.800 5.635 4.470 0.275 -0.200 0.291 45 S C -1.414 173.293 174.600 0.178 0.000 1.116 45 S CA -0.264 58.063 58.200 0.211 0.000 0.992 45 S CB 3.277 66.589 63.200 0.187 0.000 1.028 45 S HN 0.216 8.607 8.310 0.135 0.000 0.484 46 L N 5.798 127.142 121.223 0.202 0.000 2.361 46 L HA 0.192 4.744 4.340 0.154 -0.119 0.278 46 L C -0.396 176.561 176.870 0.145 0.000 1.113 46 L CA 0.122 55.062 54.840 0.167 0.000 0.849 46 L CB 1.184 43.340 42.059 0.163 0.000 1.155 46 L HN 0.193 8.573 8.230 0.250 0.000 0.452 47 I N 0.175 120.827 120.570 0.137 0.000 4.181 47 I HA 0.428 4.640 4.170 0.071 0.000 0.331 47 I C -1.205 174.971 176.117 0.099 0.000 1.312 47 I CA -0.526 60.832 61.300 0.095 0.000 1.146 47 I CB 1.062 39.104 38.000 0.069 0.000 1.074 47 I HN 0.247 8.555 8.210 0.163 0.000 0.402 48 N N -1.889 116.898 118.700 0.144 0.000 3.364 48 N HA 0.054 4.852 4.740 0.098 0.000 0.294 48 N C 0.039 175.626 175.510 0.128 0.000 1.562 48 N CA -0.531 52.596 53.050 0.128 0.000 0.862 48 N CB 1.032 39.596 38.487 0.128 0.000 1.691 48 N HN -0.840 7.646 8.380 0.177 0.000 0.572 49 S N -2.468 113.293 115.700 0.101 0.000 2.474 49 S HA -0.170 4.339 4.470 0.064 0.000 0.235 49 S C 0.901 175.525 174.600 0.040 0.000 0.997 49 S CA 2.431 60.672 58.200 0.068 0.000 0.949 49 S CB -0.200 63.029 63.200 0.049 0.000 0.766 49 S HN 0.483 8.851 8.310 0.097 0.000 0.517 50 Q N -2.570 117.255 119.800 0.043 0.000 2.246 50 Q HA 0.220 4.471 4.340 -0.148 0.000 0.222 50 Q C -0.854 174.969 176.000 -0.296 0.000 0.851 50 Q CA -0.043 55.682 55.803 -0.130 0.000 0.945 50 Q CB 1.201 29.851 28.738 -0.146 0.000 1.122 50 Q HN 0.135 8.434 8.270 0.122 0.044 0.508 51 W N -1.931 119.373 121.300 0.006 0.000 2.998 51 W HA 0.558 5.412 4.660 -0.000 -0.193 0.335 51 W C -1.923 174.606 176.519 0.017 0.000 1.110 51 W CA -0.779 56.566 57.345 0.001 0.000 1.230 51 W CB 3.844 33.292 29.460 -0.020 0.000 1.405 51 W HN -0.595 7.712 8.180 0.212 0.000 0.493 52 V N 2.345 122.414 119.914 0.258 0.000 2.628 52 V HA 0.758 5.162 4.120 0.173 -0.180 0.306 52 V C -1.366 174.845 176.094 0.196 0.000 1.045 52 V CA -2.328 60.082 62.300 0.183 0.000 0.905 52 V CB 3.568 35.457 31.823 0.110 0.000 0.997 52 V HN 0.591 8.935 8.190 0.256 0.000 0.436 53 V N 1.675 121.682 119.914 0.155 0.000 2.435 53 V HA 0.770 nan 4.120 nan 0.000 0.290 53 V C -2.166 173.994 176.094 0.109 0.000 1.030 53 V CA -2.938 59.446 62.300 0.139 0.000 0.881 53 V CB 0.849 32.748 31.823 0.127 0.000 0.983 53 V HN 0.396 8.674 8.190 0.147 0.000 0.445 54 S N 5.860 121.613 115.700 0.088 0.000 2.903 54 S HA 0.616 5.305 4.470 0.045 -0.192 0.314 54 S C -1.495 173.105 174.600 -0.000 0.000 1.177 54 S CA -1.504 56.718 58.200 0.037 0.000 0.859 54 S CB 3.564 66.768 63.200 0.007 0.000 1.265 54 S HN 0.373 8.746 8.310 0.105 0.000 0.584 55 A N 0.066 122.841 122.820 -0.075 0.000 2.331 55 A HA 0.415 4.838 4.320 -0.092 -0.158 0.283 55 A C 1.050 178.507 177.584 -0.210 0.000 1.142 55 A CA -0.988 50.962 52.037 -0.145 0.000 0.812 55 A CB 1.085 19.936 19.000 -0.249 0.000 1.074 55 A HN 0.400 8.495 8.150 -0.092 0.000 0.497 56 A N 5.588 128.226 122.820 -0.304 0.000 1.978 56 A HA -0.286 3.858 4.320 -0.294 0.000 0.220 56 A C 1.329 178.667 177.584 -0.410 0.000 1.170 56 A CA 2.898 54.623 52.037 -0.520 0.000 0.636 56 A CB -0.536 17.705 19.000 -1.266 0.000 0.810 56 A HN 0.622 8.621 8.150 -0.291 -0.023 0.448 57 H N -4.514 114.417 119.070 -0.232 0.000 2.559 57 H HA -0.084 4.533 4.556 0.102 0.000 0.273 57 H C 0.358 175.750 175.328 0.106 0.000 1.000 57 H CA 1.691 57.766 56.048 0.045 0.000 1.195 57 H CB -1.164 28.689 29.762 0.152 0.000 1.368 57 H HN -0.062 8.374 8.280 -0.185 -0.267 0.592 58 c N -1.540 116.920 118.600 -0.232 0.000 2.562 58 c HA -0.042 4.570 4.570 0.071 0.000 0.266 58 c C 0.575 174.743 174.090 0.131 0.000 1.382 58 c CA 0.347 56.671 56.329 -0.008 0.000 1.742 58 c CB -1.763 40.705 42.510 -0.069 0.000 1.812 58 c HN -0.349 7.503 8.230 -0.343 0.172 0.559 59 Y N 3.029 123.332 120.300 0.006 0.000 2.810 59 Y HA -0.308 4.264 4.550 0.037 0.000 0.332 59 Y C -1.208 174.688 175.900 -0.006 0.000 1.243 59 Y CA 1.896 60.006 58.100 0.017 0.000 1.537 59 Y CB 0.518 38.977 38.460 -0.002 0.000 1.265 59 Y HN -0.581 7.627 8.280 0.162 0.170 0.572 60 K N 5.514 125.256 120.400 -1.097 0.000 2.607 60 K HA 0.195 3.687 4.320 -1.380 0.000 0.287 60 K C -2.154 173.943 176.600 -0.838 0.000 0.996 60 K CA -1.356 54.276 56.287 -1.092 0.000 0.876 60 K CB 2.675 34.775 32.500 -0.666 0.000 1.496 60 K HN -0.110 7.659 8.250 -0.801 0.000 0.415 61 S N -0.138 115.237 115.700 -0.542 0.000 2.603 61 S HA 0.062 4.419 4.470 -0.189 0.000 0.268 61 S C 1.027 175.503 174.600 -0.207 0.000 1.317 61 S CA 0.137 58.190 58.200 -0.245 0.000 1.012 61 S CB 0.065 63.194 63.200 -0.118 0.000 0.926 61 S HN 0.304 8.302 8.310 -0.519 0.000 0.539 62 G N 2.167 110.890 108.800 -0.129 0.000 2.182 62 G HA2 -0.215 3.661 3.960 -0.140 0.000 0.248 62 G HA3 -0.215 3.688 3.960 -0.094 0.000 0.248 62 G C -1.072 173.757 174.900 -0.118 0.000 1.042 62 G CA 0.165 45.192 45.100 -0.122 0.000 0.775 62 G HN 0.280 8.512 8.290 -0.095 0.000 0.501 63 I N -0.640 119.883 120.570 -0.078 0.000 2.395 63 I HA -0.011 4.163 4.170 0.007 0.000 0.289 63 I C -1.843 174.243 176.117 -0.050 0.000 1.023 63 I CA -0.490 60.797 61.300 -0.021 0.000 1.350 63 I CB 0.743 38.767 38.000 0.040 0.000 1.409 63 I HN -0.451 7.714 8.210 -0.074 0.000 0.507 64 Q N 7.175 126.929 119.800 -0.076 0.000 2.322 64 Q HA 0.381 4.677 4.340 -0.074 0.000 0.265 64 Q C -1.447 174.483 176.000 -0.116 0.000 0.985 64 Q CA -1.432 54.310 55.803 -0.101 0.000 0.849 64 Q CB 3.284 31.927 28.738 -0.158 0.000 1.274 64 Q HN 0.503 8.727 8.270 -0.077 0.000 0.449 65 V N 7.623 127.494 119.914 -0.072 0.000 2.461 65 V HA 0.044 4.114 4.120 -0.084 0.000 0.275 65 V C -1.114 174.970 176.094 -0.016 0.000 1.047 65 V CA 0.582 62.850 62.300 -0.053 0.000 0.955 65 V CB 0.435 32.247 31.823 -0.018 0.000 0.988 65 V HN 0.716 8.876 8.190 -0.050 0.000 0.471 66 R N 6.959 127.438 120.500 -0.034 0.000 2.288 66 R HA 0.554 5.202 4.340 0.235 -0.167 0.326 66 R C -0.883 175.486 176.300 0.115 0.000 0.959 66 R CA -1.378 54.764 56.100 0.071 0.000 0.834 66 R CB 1.033 31.254 30.300 -0.131 0.000 1.157 66 R HN 0.483 8.710 8.270 -0.072 0.000 0.470 70 E N -0.399 119.908 120.200 0.179 0.000 2.301 70 E HA 0.054 4.498 4.350 0.156 0.000 0.275 70 E C -1.653 175.134 176.600 0.312 0.000 1.030 70 E CA 0.489 57.017 56.400 0.214 0.000 0.852 70 E CB 1.092 30.876 29.700 0.141 0.000 1.060 70 E HN -0.603 7.814 8.360 0.202 0.063 0.401 71 D N 3.009 123.559 120.400 0.250 0.000 3.061 71 D HA 0.094 4.941 4.640 0.345 0.000 0.243 71 D C -0.803 175.703 176.300 0.344 0.000 1.572 71 D CA 1.028 55.197 54.000 0.281 0.000 1.269 71 D CB 2.409 43.291 40.800 0.136 0.000 1.023 71 D HN 0.125 8.602 8.370 0.179 0.000 0.280 72 N N 0.818 119.630 118.700 0.187 0.000 2.405 72 N HA 0.066 5.055 4.740 0.195 -0.132 0.260 72 N C 2.223 177.757 175.510 0.040 0.000 1.152 72 N CA -0.106 53.028 53.050 0.140 0.000 0.948 72 N CB 0.423 38.962 38.487 0.088 0.000 1.111 72 N HN -0.473 8.300 8.380 0.142 -0.308 0.485 73 I N 0.381 120.890 120.570 -0.103 0.000 3.176 73 I HA -0.103 4.068 4.170 -0.246 -0.148 0.275 73 I C -0.208 175.831 176.117 -0.130 0.000 1.298 73 I CA 1.508 62.641 61.300 -0.277 0.000 1.445 73 I CB -0.619 36.962 38.000 -0.699 0.000 1.075 73 I HN 0.220 8.384 8.210 -0.077 0.000 0.482 74 N N -2.675 115.996 118.700 -0.049 0.000 2.205 74 N HA 0.155 4.881 4.740 -0.023 0.000 0.201 74 N C -0.943 174.577 175.510 0.017 0.000 1.128 74 N CA -0.038 53.004 53.050 -0.013 0.000 0.867 74 N CB 1.868 40.355 38.487 0.000 0.000 0.996 74 N HN -0.403 8.199 8.380 -0.030 -0.240 0.503 75 V N 0.544 120.475 119.914 0.029 0.000 2.638 75 V HA 0.048 4.189 4.120 0.036 0.000 0.306 75 V C -1.366 174.758 176.094 0.049 0.000 1.052 75 V CA -1.939 60.384 62.300 0.038 0.000 0.885 75 V CB 3.148 34.992 31.823 0.035 0.000 0.999 75 V HN -0.780 7.490 8.190 0.026 -0.064 0.424 76 V N 6.829 126.770 119.914 0.044 0.000 2.405 76 V HA -0.168 4.173 4.120 0.038 -0.198 0.264 76 V C 0.187 176.285 176.094 0.006 0.000 1.048 76 V CA 0.217 62.532 62.300 0.026 0.000 0.966 76 V CB -0.883 30.944 31.823 0.006 0.000 1.015 76 V HN 0.302 8.516 8.190 0.040 0.000 0.477 77 E N 8.618 128.820 120.200 0.005 0.000 2.447 77 E HA 0.100 4.454 4.350 0.007 0.000 0.204 77 E C 0.510 177.104 176.600 -0.010 0.000 0.977 77 E CA -0.005 56.398 56.400 0.006 0.000 0.950 77 E CB 0.954 30.669 29.700 0.025 0.000 0.975 77 E HN 0.391 9.233 8.360 0.005 -0.479 0.496 78 G N -1.462 107.319 108.800 -0.032 0.000 2.421 78 G HA2 -0.264 3.678 3.960 -0.029 0.000 0.188 78 G HA3 -0.264 3.662 3.960 -0.056 0.000 0.188 78 G C -0.121 174.749 174.900 -0.049 0.000 1.001 78 G CA 0.273 45.347 45.100 -0.043 0.000 0.693 78 G HN 0.026 8.587 8.290 -0.041 -0.295 0.479 79 N N 0.134 118.811 118.700 -0.037 0.000 2.187 79 N HA 0.139 4.857 4.740 -0.036 0.000 0.212 79 N C -1.100 174.382 175.510 -0.046 0.000 1.152 79 N CA -0.523 52.508 53.050 -0.031 0.000 0.872 79 N CB 0.874 39.360 38.487 -0.002 0.000 1.025 79 N HN 0.391 8.755 8.380 -0.026 0.000 0.514 80 E N 0.313 120.454 120.200 -0.099 0.000 2.390 80 E HA 0.235 4.995 4.350 -0.028 -0.427 0.261 80 E C -0.115 176.357 176.600 -0.212 0.000 1.076 80 E CA 0.643 56.959 56.400 -0.142 0.000 0.905 80 E CB 0.539 30.036 29.700 -0.338 0.000 0.984 80 E HN -0.219 8.015 8.360 -0.115 0.057 0.427 81 Q N 1.297 121.038 119.800 -0.099 0.000 2.292 81 Q HA 0.247 4.483 4.340 -0.173 0.000 0.270 81 Q C -1.626 174.463 176.000 0.148 0.000 1.024 81 Q CA -1.044 54.718 55.803 -0.068 0.000 0.768 81 Q CB 3.217 31.952 28.738 -0.005 0.000 1.250 81 Q HN 0.219 8.495 8.270 0.010 0.000 0.447 82 F N 3.432 123.364 119.950 -0.030 0.000 2.411 82 F HA 0.741 5.411 4.527 -0.043 -0.168 0.352 82 F C 0.285 176.062 175.800 -0.039 0.000 1.123 82 F CA -1.616 56.360 58.000 -0.039 0.000 1.044 82 F CB 1.813 40.787 39.000 -0.043 0.000 1.135 82 F HN 0.258 8.548 8.300 -0.016 0.000 0.461 83 I N 3.433 124.082 120.570 0.131 0.000 2.512 83 I HA 0.291 4.488 4.170 0.045 0.000 0.287 83 I C -1.026 175.093 176.117 0.002 0.000 1.069 83 I CA -1.403 59.924 61.300 0.045 0.000 1.056 83 I CB 3.988 41.999 38.000 0.018 0.000 1.229 83 I HN 0.634 8.916 8.210 0.119 0.000 0.429 84 S N 7.817 123.509 115.700 -0.013 0.000 2.572 84 S HA 0.059 4.505 4.470 -0.041 0.000 0.279 84 S C 0.153 174.722 174.600 -0.052 0.000 1.341 84 S CA 0.814 58.993 58.200 -0.036 0.000 1.043 84 S CB 0.509 63.689 63.200 -0.034 0.000 0.887 84 S HN 0.531 8.838 8.310 -0.005 0.000 0.516 85 A N 3.627 126.414 122.820 -0.055 0.000 2.440 85 A HA 0.276 4.673 4.320 -0.090 -0.131 0.251 85 A C 0.342 177.885 177.584 -0.069 0.000 1.089 85 A CA -0.056 51.941 52.037 -0.067 0.000 0.779 85 A CB 0.785 19.761 19.000 -0.040 0.000 1.022 85 A HN -0.091 8.030 8.150 -0.050 0.000 0.492 86 S N 2.016 117.656 115.700 -0.101 0.000 2.483 86 S HA 0.139 4.572 4.470 -0.060 0.000 0.221 86 S C 0.383 174.946 174.600 -0.060 0.000 1.030 86 S CA 0.807 58.957 58.200 -0.084 0.000 0.925 86 S CB 1.158 64.290 63.200 -0.112 0.000 0.795 86 S HN 0.511 8.738 8.310 -0.140 0.000 0.511 87 K N 0.752 121.107 120.400 -0.075 0.000 2.543 87 K HA 0.278 4.612 4.320 0.023 0.000 0.255 87 K C -2.611 174.011 176.600 0.038 0.000 0.934 87 K CA 0.113 56.395 56.287 -0.009 0.000 0.810 87 K CB 2.817 35.312 32.500 -0.009 0.000 1.315 87 K HN -0.736 7.444 8.250 -0.116 0.000 0.433 88 S N 3.746 119.516 115.700 0.116 0.000 2.503 88 S HA 0.820 5.558 4.470 0.175 -0.162 0.301 88 S C -0.395 174.320 174.600 0.191 0.000 1.087 88 S CA -0.769 57.540 58.200 0.181 0.000 1.042 88 S CB 1.759 65.115 63.200 0.260 0.000 1.043 88 S HN 0.109 8.491 8.310 0.120 0.000 0.489 89 I N 5.633 126.339 120.570 0.226 0.000 2.493 89 I HA 0.244 4.517 4.170 0.172 0.000 0.279 89 I C -1.328 174.950 176.117 0.268 0.000 1.045 89 I CA -0.672 60.764 61.300 0.227 0.000 1.106 89 I CB 2.450 40.597 38.000 0.245 0.000 1.216 89 I HN 0.951 9.311 8.210 0.251 0.000 0.459 90 V N 7.262 127.263 119.914 0.145 0.000 2.715 90 V HA -0.219 3.957 4.120 0.092 0.000 0.299 90 V C 0.150 176.322 176.094 0.130 0.000 1.054 90 V CA -0.061 62.290 62.300 0.085 0.000 1.077 90 V CB 0.225 32.015 31.823 -0.054 0.000 0.972 90 V HN 0.249 8.487 8.190 0.080 0.000 0.484 91 H N 8.796 127.815 119.070 -0.085 0.000 3.064 91 H HA -0.086 4.109 4.556 -0.601 0.000 0.329 91 H C 0.027 175.268 175.328 -0.147 0.000 1.020 91 H CA 1.124 56.944 56.048 -0.379 0.000 1.402 91 H CB 1.514 30.924 29.762 -0.587 0.000 1.379 91 H HN -0.209 8.098 8.280 0.045 0.000 0.594 92 P HA -0.120 4.255 4.420 -0.074 0.000 0.218 92 P C -0.475 176.836 177.300 0.017 0.000 1.148 92 P CA 1.890 64.882 63.100 -0.180 0.000 0.822 92 P CB 0.275 31.829 31.700 -0.242 0.000 0.784 93 S N -3.222 112.625 115.700 0.246 0.000 2.575 93 S HA 0.126 4.660 4.470 0.106 0.000 0.237 93 S C -0.491 174.220 174.600 0.185 0.000 0.975 93 S CA -0.554 57.772 58.200 0.210 0.000 0.960 93 S CB -0.174 63.146 63.200 0.201 0.000 0.822 93 S HN -0.402 8.203 8.310 0.554 0.037 0.472 94 Y N 4.539 124.885 120.300 0.077 0.000 2.717 94 Y HA -0.281 4.435 4.550 -0.033 -0.186 0.330 94 Y C -0.590 175.303 175.900 -0.011 0.000 1.217 94 Y CA 1.121 59.221 58.100 -0.000 0.000 1.506 94 Y CB 0.627 39.087 38.460 0.001 0.000 1.268 94 Y HN -0.731 7.587 8.280 0.337 0.165 0.561 95 N N 8.078 126.426 118.700 -0.587 0.000 2.479 95 N HA 0.199 4.636 4.740 -0.505 0.000 0.261 95 N C -0.232 174.744 175.510 -0.891 0.000 0.979 95 N CA -1.101 51.596 53.050 -0.589 0.000 0.930 95 N CB 1.983 40.302 38.487 -0.279 0.000 1.172 95 N HN -0.279 7.860 8.380 -0.402 0.000 0.499 96 S N 5.871 121.041 115.700 -0.884 0.000 2.481 96 S HA -0.007 4.048 4.470 -0.692 0.000 0.231 96 S C 1.076 175.493 174.600 -0.304 0.000 0.996 96 S CA 1.721 59.571 58.200 -0.583 0.000 0.942 96 S CB -0.253 62.810 63.200 -0.228 0.000 0.768 96 S HN 0.663 8.547 8.310 -0.709 0.000 0.520 97 N N 2.318 120.852 118.700 -0.277 0.000 2.135 97 N HA -0.036 4.592 4.740 -0.187 0.000 0.186 97 N C 1.537 176.889 175.510 -0.262 0.000 1.027 97 N CA 2.267 55.188 53.050 -0.215 0.000 0.849 97 N CB 0.023 38.408 38.487 -0.170 0.000 1.002 97 N HN 0.075 8.430 8.380 -0.300 -0.155 0.425 98 T N -4.090 110.298 114.554 -0.277 0.000 3.022 98 T HA 0.084 4.229 4.350 -0.342 0.000 0.250 98 T C 0.415 174.908 174.700 -0.346 0.000 1.060 98 T CA -0.280 61.642 62.100 -0.298 0.000 1.013 98 T CB 1.283 70.034 68.868 -0.194 0.000 0.982 98 T HN -0.578 7.737 8.240 -0.274 -0.239 0.508 99 L N -3.869 117.191 121.223 -0.272 0.000 4.429 99 L HA -0.505 3.931 4.340 0.059 -0.060 0.422 99 L C -1.698 175.203 176.870 0.051 0.000 1.149 99 L CA 1.092 55.886 54.840 -0.077 0.000 0.972 99 L CB -2.786 39.163 42.059 -0.183 0.000 2.059 99 L HN -0.209 7.842 8.230 -0.299 0.000 0.870 100 N N -0.853 117.833 118.700 -0.024 0.000 2.492 100 N HA -0.212 4.583 4.740 0.091 0.000 0.262 100 N C 0.033 175.595 175.510 0.088 0.000 1.202 100 N CA 0.894 53.971 53.050 0.045 0.000 0.926 100 N CB 0.841 39.328 38.487 -0.000 0.000 1.078 100 N HN -0.663 7.585 8.380 -0.105 0.069 0.454 101 N N -1.349 117.397 118.700 0.076 0.000 2.756 101 N HA -0.478 4.174 4.740 -0.146 0.000 0.248 101 N C -1.429 174.046 175.510 -0.057 0.000 1.062 101 N CA 1.364 54.357 53.050 -0.095 0.000 0.696 101 N CB -1.553 36.798 38.487 -0.225 0.000 0.946 101 N HN 0.643 9.088 8.380 0.107 0.000 0.548 102 D N -1.036 119.377 120.400 0.023 0.000 2.551 102 D HA 0.060 4.686 4.640 -0.024 0.000 0.223 102 D C -1.750 174.455 176.300 -0.159 0.000 1.144 102 D CA -0.430 53.581 54.000 0.019 0.000 1.025 102 D CB -0.605 40.322 40.800 0.213 0.000 1.085 102 D HN -0.181 8.218 8.370 0.047 0.000 0.506 103 I N 2.632 123.036 120.570 -0.277 0.000 2.775 103 I HA 0.597 4.876 4.170 -0.123 -0.183 0.295 103 I C -3.062 173.018 176.117 -0.062 0.000 1.287 103 I CA -1.233 59.944 61.300 -0.204 0.000 1.029 103 I CB 3.792 41.562 38.000 -0.384 0.000 1.282 103 I HN -0.430 7.559 8.210 -0.309 0.035 0.426 104 M N 5.000 124.654 119.600 0.089 0.000 2.470 104 M HA 0.751 5.579 4.480 0.349 -0.139 0.285 104 M C -2.845 173.610 176.300 0.259 0.000 1.213 104 M CA -0.993 54.438 55.300 0.218 0.000 0.901 104 M CB 4.726 37.394 32.600 0.113 0.000 1.718 104 M HN 0.409 8.741 8.290 0.071 0.000 0.469 105 L N 0.690 122.097 121.223 0.306 0.000 2.325 105 L HA 0.833 5.499 4.340 0.259 -0.170 0.278 105 L C -1.100 175.965 176.870 0.325 0.000 1.023 105 L CA -1.472 53.540 54.840 0.285 0.000 0.811 105 L CB 3.119 45.272 42.059 0.157 0.000 1.249 105 L HN 0.290 8.736 8.230 0.359 0.000 0.431 106 I N 0.901 121.655 120.570 0.306 0.000 2.447 106 I HA 0.491 4.896 4.170 0.118 -0.163 0.287 106 I C -1.597 174.480 176.117 -0.067 0.000 1.023 106 I CA -1.235 60.143 61.300 0.130 0.000 1.083 106 I CB 2.606 40.651 38.000 0.074 0.000 1.245 106 I HN 0.695 9.108 8.210 0.339 0.000 0.434 107 K N 7.058 127.199 120.400 -0.432 0.000 2.172 107 K HA 0.603 4.358 4.320 -1.250 -0.185 0.276 107 K C -0.878 175.444 176.600 -0.463 0.000 1.013 107 K CA -1.716 53.999 56.287 -0.953 0.000 0.913 107 K CB 2.668 34.371 32.500 -1.328 0.000 1.055 107 K HN 0.365 8.441 8.250 -0.289 0.000 0.461 108 L N 5.439 126.411 121.223 -0.419 0.000 2.397 108 L HA -0.090 4.149 4.340 -0.168 0.000 0.271 108 L C 0.247 176.998 176.870 -0.198 0.000 1.148 108 L CA 0.552 55.258 54.840 -0.223 0.000 0.825 108 L CB 0.184 42.148 42.059 -0.159 0.000 1.117 108 L HN 0.457 8.262 8.230 -0.528 0.108 0.456 109 K N 2.907 123.231 120.400 -0.126 0.000 2.152 109 K HA -0.305 3.951 4.320 -0.107 0.000 0.206 109 K C -0.403 176.148 176.600 -0.082 0.000 1.048 109 K CA 2.135 58.364 56.287 -0.096 0.000 0.933 109 K CB 0.514 32.976 32.500 -0.062 0.000 0.721 109 K HN 0.468 8.655 8.250 -0.106 0.000 0.447 110 S N -4.790 110.866 115.700 -0.073 0.000 2.564 110 S HA 0.088 4.525 4.470 -0.055 0.000 0.274 110 S C -1.901 172.666 174.600 -0.054 0.000 1.124 110 S CA -1.342 56.826 58.200 -0.053 0.000 0.869 110 S CB 2.723 65.903 63.200 -0.033 0.000 1.105 110 S HN -0.614 7.623 8.310 -0.074 0.029 0.472 111 A N 1.747 124.543 122.820 -0.040 0.000 2.488 111 A HA -0.118 4.317 4.320 -0.037 -0.138 0.249 111 A C 0.169 177.746 177.584 -0.012 0.000 1.083 111 A CA 0.172 52.194 52.037 -0.026 0.000 0.768 111 A CB 0.409 19.403 19.000 -0.009 0.000 1.017 111 A HN 0.265 8.394 8.150 -0.035 0.000 0.496 112 A N 3.566 126.385 122.820 -0.002 0.000 2.483 112 A HA -0.120 4.296 4.320 0.008 -0.091 0.238 112 A C -0.334 177.258 177.584 0.013 0.000 1.070 112 A CA 0.211 52.255 52.037 0.011 0.000 0.770 112 A CB 0.821 19.837 19.000 0.027 0.000 1.008 112 A HN 0.102 8.250 8.150 -0.004 0.000 0.497 113 S N 1.345 117.051 115.700 0.009 0.000 2.416 113 S HA 0.097 4.573 4.470 0.010 0.000 0.287 113 S C -0.639 173.971 174.600 0.017 0.000 1.139 113 S CA -0.386 57.819 58.200 0.009 0.000 1.058 113 S CB -0.159 63.041 63.200 -0.001 0.000 0.967 113 S HN 0.010 8.692 8.310 0.006 -0.369 0.495 114 L N 8.713 129.950 121.223 0.023 0.000 2.331 114 L HA 0.195 4.670 4.340 0.036 -0.113 0.278 114 L C -0.103 176.782 176.870 0.025 0.000 1.106 114 L CA -0.013 54.845 54.840 0.031 0.000 0.824 114 L CB 0.548 42.629 42.059 0.037 0.000 1.142 114 L HN 0.361 8.603 8.230 0.021 0.000 0.443 115 N N 2.904 121.621 118.700 0.028 0.000 3.439 115 N HA 0.187 4.939 4.740 0.021 0.000 0.313 115 N C -0.123 175.403 175.510 0.028 0.000 1.598 115 N CA -0.649 52.414 53.050 0.022 0.000 0.830 115 N CB 0.862 39.357 38.487 0.014 0.000 1.849 115 N HN -0.057 8.343 8.380 0.033 0.000 0.598 116 S N -3.072 112.642 115.700 0.023 0.000 2.402 116 S HA -0.083 4.406 4.470 0.032 0.000 0.229 116 S C 0.916 175.532 174.600 0.027 0.000 1.021 116 S CA 2.276 60.492 58.200 0.026 0.000 0.974 116 S CB -0.133 63.079 63.200 0.021 0.000 0.800 116 S HN 0.246 8.567 8.310 0.018 0.000 0.484 117 R N -0.006 120.507 120.500 0.022 0.000 2.240 117 R HA 0.009 4.358 4.340 0.016 0.000 0.203 117 R C -1.085 175.231 176.300 0.027 0.000 1.011 117 R CA 1.407 57.519 56.100 0.020 0.000 1.007 117 R CB 1.042 31.351 30.300 0.015 0.000 0.911 117 R HN -0.405 8.054 8.270 0.020 -0.177 0.468 118 V N -1.950 117.986 119.914 0.036 0.000 2.488 118 V HA 0.383 4.709 4.120 0.055 -0.173 0.293 118 V C -2.178 173.955 176.094 0.065 0.000 1.027 118 V CA -1.818 60.513 62.300 0.051 0.000 0.862 118 V CB 1.866 33.716 31.823 0.045 0.000 1.008 118 V HN -0.611 7.590 8.190 0.034 0.009 0.428 119 A N 6.184 129.060 122.820 0.094 0.000 2.572 119 A HA 0.462 4.835 4.320 0.089 0.000 0.295 119 A C -2.242 175.436 177.584 0.157 0.000 1.072 119 A CA -1.229 50.875 52.037 0.111 0.000 0.691 119 A CB 3.422 22.491 19.000 0.115 0.000 1.291 119 A HN -0.088 8.028 8.150 0.102 0.095 0.404 120 S N -0.430 115.345 115.700 0.124 0.000 2.617 120 S HA 0.386 5.123 4.470 0.151 -0.176 0.269 120 S C -0.289 174.362 174.600 0.086 0.000 1.292 120 S CA -0.545 57.727 58.200 0.119 0.000 1.010 120 S CB 0.879 64.129 63.200 0.083 0.000 0.944 120 S HN 0.110 8.480 8.310 0.099 0.000 0.536 121 I N 1.806 122.379 120.570 0.006 0.000 2.412 121 I HA 0.232 4.310 4.170 -0.153 0.000 0.296 121 I C -0.655 175.403 176.117 -0.099 0.000 0.987 121 I CA -1.747 59.453 61.300 -0.167 0.000 1.180 121 I CB 3.510 41.175 38.000 -0.559 0.000 1.340 121 I HN 0.171 8.404 8.210 0.039 0.000 0.455 122 S N 8.655 124.300 115.700 -0.092 0.000 2.562 122 S HA 0.112 4.561 4.470 -0.034 0.000 0.281 122 S C -0.157 174.411 174.600 -0.054 0.000 1.333 122 S CA 0.590 58.758 58.200 -0.055 0.000 1.052 122 S CB 0.368 63.541 63.200 -0.045 0.000 0.884 122 S HN 0.462 8.709 8.310 -0.106 0.000 0.506 123 L N 3.107 124.314 121.223 -0.026 0.000 2.436 123 L HA 0.193 4.530 4.340 -0.004 0.000 0.265 123 L C -1.071 175.794 176.870 -0.009 0.000 1.168 123 L CA -2.008 52.827 54.840 -0.008 0.000 0.815 123 L CB 0.310 42.372 42.059 0.005 0.000 1.109 123 L HN 0.105 8.322 8.230 -0.022 0.000 0.462 124 P HA 0.010 4.419 4.420 -0.018 0.000 0.272 124 P C -0.991 176.307 177.300 -0.003 0.000 1.223 124 P CA -0.172 62.924 63.100 -0.006 0.000 0.784 124 P CB 0.164 31.865 31.700 0.001 0.000 0.923 128 c N 0.743 119.314 118.600 -0.048 0.000 2.649 128 c HA 0.063 4.589 4.570 -0.074 0.000 0.377 128 c C 0.010 174.039 174.090 -0.101 0.000 1.321 128 c CA -0.491 55.794 56.329 -0.075 0.000 2.368 128 c CB 0.527 42.993 42.510 -0.073 0.000 2.597 128 c HN 0.024 8.228 8.230 -0.043 0.000 0.678 129 A N 1.618 124.342 122.820 -0.161 0.000 2.282 129 A HA 0.059 4.302 4.320 -0.129 0.000 0.319 129 A C -1.066 176.408 177.584 -0.183 0.000 1.121 129 A CA -0.333 51.599 52.037 -0.175 0.000 0.836 129 A CB 1.463 20.328 19.000 -0.226 0.000 1.146 129 A HN 0.159 8.190 8.150 -0.198 0.000 0.494 133 G N 1.996 110.760 108.800 -0.061 0.000 2.217 133 G HA2 -0.328 3.607 3.960 -0.042 0.000 0.246 133 G HA3 -0.328 3.601 3.960 -0.052 0.000 0.246 133 G C -0.247 174.620 174.900 -0.056 0.000 0.990 133 G CA -0.039 45.029 45.100 -0.052 0.000 0.627 133 G HN 0.536 8.679 8.290 -0.065 0.108 0.522 134 T N 4.355 118.866 114.554 -0.073 0.000 2.888 134 T HA -0.161 4.156 4.350 -0.054 0.000 0.301 134 T C -0.669 173.993 174.700 -0.064 0.000 1.001 134 T CA 2.004 64.062 62.100 -0.070 0.000 1.147 134 T CB 0.463 69.275 68.868 -0.094 0.000 0.931 134 T HN -0.431 7.674 8.240 -0.085 0.084 0.541 135 Q N 4.073 123.849 119.800 -0.040 0.000 2.259 135 Q HA 0.102 4.543 4.340 -0.032 -0.120 0.249 135 Q C -0.668 175.319 176.000 -0.022 0.000 0.914 135 Q CA 0.163 55.952 55.803 -0.024 0.000 0.904 135 Q CB 1.372 30.113 28.738 0.004 0.000 1.213 135 Q HN 0.166 8.416 8.270 -0.033 0.000 0.428 136 c N 0.323 118.914 118.600 -0.016 0.000 3.080 136 c HA 0.600 5.296 4.570 -0.009 -0.131 0.307 136 c C -1.721 172.378 174.090 0.015 0.000 1.311 136 c CA -1.041 55.280 56.329 -0.013 0.000 1.533 136 c CB 4.333 46.818 42.510 -0.041 0.000 1.970 136 c HN 0.369 8.591 8.230 -0.014 0.000 0.467 137 L N 1.472 122.712 121.223 0.029 0.000 2.287 137 L HA 0.756 5.293 4.340 0.053 -0.165 0.287 137 L C -2.100 174.785 176.870 0.024 0.000 1.022 137 L CA -1.250 53.618 54.840 0.048 0.000 0.814 137 L CB 2.692 44.802 42.059 0.085 0.000 1.217 137 L HN 0.504 8.750 8.230 0.026 0.000 0.420 138 I N 7.529 128.095 120.570 -0.006 0.000 2.441 138 I HA 0.768 5.154 4.170 0.002 -0.214 0.295 138 I C -1.478 174.607 176.117 -0.054 0.000 0.994 138 I CA -1.709 59.582 61.300 -0.016 0.000 1.144 138 I CB 2.180 40.167 38.000 -0.022 0.000 1.314 138 I HN 0.655 8.863 8.210 -0.004 0.000 0.445 139 S N 3.298 118.962 115.700 -0.059 0.000 2.564 139 S HA 0.980 5.477 4.470 -0.217 -0.157 0.274 139 S C -1.213 173.282 174.600 -0.174 0.000 1.124 139 S CA -1.546 56.548 58.200 -0.177 0.000 0.869 139 S CB 4.013 67.068 63.200 -0.240 0.000 1.105 139 S HN -0.204 8.101 8.310 -0.009 0.000 0.472 140 G N -0.144 108.462 108.800 -0.323 0.000 2.313 140 G HA2 0.231 4.284 3.960 -0.060 0.000 0.296 140 G HA3 0.231 3.954 3.960 -0.395 0.000 0.296 140 G C -2.142 172.537 174.900 -0.368 0.000 1.356 140 G CA 0.692 45.617 45.100 -0.291 0.000 0.833 140 G HN 0.147 8.200 8.290 -0.395 0.000 0.552 141 W N 0.818 122.069 121.300 -0.081 0.000 3.067 141 W HA 0.372 4.972 4.660 -0.100 0.000 0.417 141 W C -0.016 176.527 176.519 0.040 0.000 1.029 141 W CA -0.957 56.305 57.345 -0.139 0.000 1.992 141 W CB 0.198 29.372 29.460 -0.476 0.000 1.122 141 W HN 0.521 8.864 8.180 0.271 0.000 0.681 142 G N 0.859 109.819 108.800 0.267 0.000 2.621 142 G HA2 -0.079 4.112 3.960 0.238 0.000 0.271 142 G HA3 -0.079 4.226 3.960 0.473 -0.061 0.271 142 G C -0.962 173.977 174.900 0.065 0.000 1.236 142 G CA -0.697 44.577 45.100 0.289 0.000 0.958 142 G HN -0.388 8.238 8.290 0.188 -0.223 0.512 143 N N -0.352 118.250 118.700 -0.164 0.000 2.356 143 N HA -0.311 4.043 4.740 -0.921 -0.166 0.252 143 N C 0.825 176.200 175.510 -0.225 0.000 1.241 143 N CA 1.156 53.878 53.050 -0.547 0.000 0.861 143 N CB 0.563 38.726 38.487 -0.542 0.000 1.075 143 N HN 0.019 8.402 8.380 0.005 0.000 0.461 144 T N -0.061 114.367 114.554 -0.210 0.000 3.069 144 T HA 0.134 4.554 4.350 -0.081 -0.119 0.252 144 T C 0.200 174.849 174.700 -0.086 0.000 1.053 144 T CA 0.307 62.343 62.100 -0.106 0.000 0.964 144 T CB 1.241 70.065 68.868 -0.073 0.000 1.005 144 T HN 0.318 8.391 8.240 -0.278 0.000 0.532 145 K N 1.902 122.236 120.400 -0.111 0.000 2.182 145 K HA 0.326 4.617 4.320 -0.047 0.000 0.262 145 K C -0.294 176.279 176.600 -0.045 0.000 0.957 145 K CA -2.195 54.053 56.287 -0.065 0.000 0.842 145 K CB 1.059 33.521 32.500 -0.064 0.000 1.099 145 K HN -0.355 8.085 8.250 -0.164 -0.288 0.438 146 S N 2.345 118.033 115.700 -0.021 0.000 2.496 146 S HA 0.028 4.497 4.470 -0.001 0.000 0.224 146 S C 1.126 175.726 174.600 0.001 0.000 0.996 146 S CA 1.943 60.141 58.200 -0.004 0.000 0.927 146 S CB 0.262 63.464 63.200 0.003 0.000 0.774 146 S HN 0.437 8.735 8.310 -0.019 0.000 0.524 147 S N -1.033 114.666 115.700 -0.002 0.000 2.655 147 S HA 0.348 4.823 4.470 0.010 0.000 0.231 147 S C 1.173 175.776 174.600 0.006 0.000 1.044 147 S CA 0.119 58.322 58.200 0.005 0.000 0.910 147 S CB -0.015 63.188 63.200 0.005 0.000 0.833 147 S HN 0.071 8.377 8.310 -0.007 0.000 0.581 148 G N 1.238 110.037 108.800 -0.001 0.000 2.975 148 G HA2 0.209 4.171 3.960 0.004 0.000 0.159 148 G HA3 0.209 4.176 3.960 0.013 0.000 0.159 148 G C -1.523 173.370 174.900 -0.012 0.000 1.525 148 G CA -0.138 44.963 45.100 0.002 0.000 1.075 148 G HN -0.093 8.194 8.290 -0.005 0.000 0.574 149 T N -4.397 110.152 114.554 -0.008 0.000 2.921 149 T HA -0.024 4.431 4.350 -0.131 -0.183 0.297 149 T C -1.469 173.206 174.700 -0.041 0.000 1.013 149 T CA -0.842 61.233 62.100 -0.041 0.000 0.990 149 T CB 2.102 71.031 68.868 0.102 0.000 1.023 149 T HN -0.436 7.809 8.240 0.008 0.000 0.447 150 S N 4.834 120.430 115.700 -0.173 0.000 2.626 150 S HA 0.276 4.770 4.470 0.040 0.000 0.275 150 S C -2.585 171.892 174.600 -0.205 0.000 1.175 150 S CA 0.529 58.683 58.200 -0.077 0.000 0.982 150 S CB 1.701 64.879 63.200 -0.038 0.000 1.093 150 S HN 0.335 8.751 8.310 -0.333 -0.305 0.472 151 Y N 4.959 125.291 120.300 0.053 0.000 2.331 151 Y HA 0.268 4.864 4.550 0.077 0.000 0.338 151 Y C -1.376 174.566 175.900 0.070 0.000 0.992 151 Y CA -2.930 55.212 58.100 0.071 0.000 1.121 151 Y CB 1.197 39.706 38.460 0.081 0.000 1.184 151 Y HN 0.166 8.603 8.280 0.262 0.000 0.469 152 P HA 0.186 4.677 4.420 0.120 0.000 0.279 152 P C -1.364 176.064 177.300 0.213 0.000 1.252 152 P CA -0.773 62.420 63.100 0.156 0.000 0.811 152 P CB 1.625 33.386 31.700 0.102 0.000 1.035 153 D N -1.925 118.579 120.400 0.173 0.000 2.324 153 D HA -0.042 4.684 4.640 0.144 0.000 0.212 153 D C -1.159 175.318 176.300 0.296 0.000 0.984 153 D CA 1.039 55.143 54.000 0.173 0.000 0.885 153 D CB 1.166 42.026 40.800 0.101 0.000 0.996 153 D HN 0.355 8.807 8.370 0.137 0.000 0.505 154 V N -7.457 112.604 119.914 0.245 0.000 2.973 154 V HA 0.381 4.923 4.120 0.363 -0.204 0.314 154 V C -1.054 175.066 176.094 0.043 0.000 1.066 154 V CA -2.868 59.571 62.300 0.232 0.000 1.021 154 V CB 1.666 33.548 31.823 0.098 0.000 1.076 154 V HN -0.864 7.429 8.190 0.172 0.000 0.462 155 L N 1.375 122.493 121.223 -0.175 0.000 2.416 155 L HA 0.000 3.549 4.340 -1.318 0.000 0.272 155 L C -0.625 175.969 176.870 -0.460 0.000 1.161 155 L CA 0.523 54.915 54.840 -0.746 0.000 0.845 155 L CB 0.987 42.567 42.059 -0.799 0.000 1.119 155 L HN -0.196 8.234 8.230 -0.016 -0.210 0.464 156 K N 4.723 124.828 120.400 -0.491 0.000 2.208 156 K HA 0.617 4.875 4.320 -0.350 -0.148 0.247 156 K C -1.188 175.150 176.600 -0.436 0.000 0.953 156 K CA -2.397 53.666 56.287 -0.373 0.000 0.837 156 K CB 2.609 34.961 32.500 -0.247 0.000 1.131 156 K HN -0.224 7.662 8.250 -0.608 0.000 0.431 157 c N -0.374 117.877 118.600 -0.582 0.000 2.707 157 c HA 0.910 5.387 4.570 -0.428 -0.164 0.313 157 c C -1.937 171.800 174.090 -0.588 0.000 1.209 157 c CA -0.655 55.276 56.329 -0.664 0.000 1.635 157 c CB 3.631 45.549 42.510 -0.987 0.000 2.206 157 c HN 0.474 8.313 8.230 -0.652 0.000 0.485 158 L N 1.207 122.288 121.223 -0.237 0.000 2.493 158 L HA 0.452 4.832 4.340 0.066 0.000 0.265 158 L C -2.463 174.471 176.870 0.106 0.000 0.954 158 L CA -0.022 54.818 54.840 -0.000 0.000 0.844 158 L CB 4.458 46.536 42.059 0.031 0.000 1.302 158 L HN 0.684 8.799 8.230 -0.191 0.000 0.405 159 K N 7.110 127.641 120.400 0.218 0.000 2.227 159 K HA 0.705 5.316 4.320 0.136 -0.209 0.280 159 K C -1.156 175.577 176.600 0.222 0.000 1.041 159 K CA -0.447 55.952 56.287 0.186 0.000 0.905 159 K CB 1.027 33.640 32.500 0.188 0.000 1.068 159 K HN 0.330 8.751 8.250 0.285 0.000 0.470 160 A N 3.554 126.443 122.820 0.114 0.000 2.547 160 A HA 0.633 4.970 4.320 0.029 0.000 0.297 160 A C -3.455 174.066 177.584 -0.105 0.000 1.056 160 A CA -2.369 49.673 52.037 0.008 0.000 0.688 160 A CB 2.882 21.884 19.000 0.003 0.000 1.282 160 A HN 0.429 8.620 8.150 0.067 0.000 0.400 161 P HA 0.501 5.062 4.420 -0.098 -0.200 0.286 161 P C -0.792 176.435 177.300 -0.121 0.000 1.261 161 P CA -1.380 61.630 63.100 -0.150 0.000 0.821 161 P CB 1.232 32.832 31.700 -0.166 0.000 1.013 162 I N 0.906 121.432 120.570 -0.073 0.000 2.683 162 I HA -0.209 4.126 4.170 0.079 -0.117 0.286 162 I C 0.426 176.532 176.117 -0.019 0.000 1.175 162 I CA 1.327 62.616 61.300 -0.019 0.000 1.429 162 I CB -0.311 37.609 38.000 -0.133 0.000 1.371 162 I HN -0.125 8.034 8.210 -0.085 0.000 0.569 163 L N 7.025 128.271 121.223 0.039 0.000 2.439 163 L HA 0.150 4.483 4.340 -0.012 0.000 0.259 163 L C -0.327 176.564 176.870 0.035 0.000 1.129 163 L CA -0.738 54.116 54.840 0.022 0.000 0.803 163 L CB 0.649 42.728 42.059 0.034 0.000 1.161 163 L HN 0.025 8.318 8.230 0.106 0.000 0.462 164 S N -0.697 115.015 115.700 0.020 0.000 2.568 164 S HA -0.074 4.404 4.470 0.013 0.000 0.282 164 S C 0.755 175.382 174.600 0.045 0.000 1.338 164 S CA -0.393 57.820 58.200 0.022 0.000 1.045 164 S CB 0.985 64.193 63.200 0.013 0.000 0.873 164 S HN 0.238 8.554 8.310 0.011 0.000 0.516 165 D N 2.887 123.315 120.400 0.046 0.000 2.178 165 D HA -0.242 4.450 4.640 0.087 0.000 0.202 165 D C 1.912 178.247 176.300 0.058 0.000 0.974 165 D CA 3.595 57.634 54.000 0.066 0.000 0.841 165 D CB -0.401 40.436 40.800 0.061 0.000 0.953 165 D HN 0.466 8.855 8.370 0.033 0.000 0.478 166 S N -1.325 114.399 115.700 0.040 0.000 2.383 166 S HA -0.128 4.366 4.470 0.041 0.000 0.227 166 S C 2.485 177.107 174.600 0.035 0.000 1.026 166 S CA 3.054 61.275 58.200 0.036 0.000 0.981 166 S CB -0.615 62.600 63.200 0.024 0.000 0.818 166 S HN 0.138 8.455 8.310 0.033 0.013 0.472 167 S N 4.058 119.777 115.700 0.032 0.000 2.382 167 S HA -0.221 4.258 4.470 0.014 0.000 0.228 167 S C 1.571 176.193 174.600 0.036 0.000 1.027 167 S CA 3.829 62.044 58.200 0.024 0.000 0.991 167 S CB -0.643 62.569 63.200 0.019 0.000 0.823 167 S HN -0.416 7.913 8.310 0.031 0.000 0.469 168 c N 3.374 122.016 118.600 0.068 0.000 2.462 168 c HA -0.319 4.325 4.570 0.123 0.000 0.278 168 c C 1.598 175.775 174.090 0.144 0.000 1.253 168 c CA 2.584 58.982 56.329 0.116 0.000 1.713 168 c CB -1.679 40.903 42.510 0.121 0.000 2.049 168 c HN -0.233 8.024 8.230 0.067 0.013 0.477 169 K N -1.002 119.465 120.400 0.113 0.000 2.148 169 K HA -0.325 4.091 4.320 0.160 0.000 0.204 169 K C 2.235 178.887 176.600 0.086 0.000 1.050 169 K CA 3.287 59.645 56.287 0.118 0.000 0.942 169 K CB -0.263 32.290 32.500 0.089 0.000 0.724 169 K HN -0.113 8.194 8.250 0.094 0.000 0.446 170 S N -0.464 115.264 115.700 0.046 0.000 2.402 170 S HA -0.111 4.371 4.470 0.019 0.000 0.229 170 S C 1.923 176.501 174.600 -0.036 0.000 1.021 170 S CA 2.648 60.855 58.200 0.011 0.000 0.974 170 S CB -0.658 62.542 63.200 0.001 0.000 0.800 170 S HN -0.224 8.100 8.310 0.045 0.014 0.484 171 A N 0.261 123.031 122.820 -0.082 0.000 1.929 171 A HA -0.181 3.982 4.320 -0.261 0.000 0.216 171 A C 0.319 177.629 177.584 -0.456 0.000 1.176 171 A CA 2.275 54.130 52.037 -0.303 0.000 0.628 171 A CB 0.690 19.465 19.000 -0.375 0.000 0.816 171 A HN -0.380 7.659 8.150 -0.033 0.092 0.444 172 Y N -4.333 116.004 120.300 0.063 0.000 2.562 172 Y HA 0.425 5.050 4.550 0.125 0.000 0.363 172 Y C -2.495 173.473 175.900 0.113 0.000 0.991 172 Y CA -3.075 55.098 58.100 0.123 0.000 1.121 172 Y CB 0.422 39.009 38.460 0.212 0.000 1.159 172 Y HN -0.574 7.762 8.280 0.093 0.000 0.651 173 P HA -0.093 4.509 4.420 0.111 -0.116 0.265 173 P C 0.920 178.293 177.300 0.123 0.000 1.193 173 P CA 0.916 64.086 63.100 0.117 0.000 0.765 173 P CB 0.095 31.835 31.700 0.067 0.000 0.823 174 G N 3.505 112.366 108.800 0.101 0.000 2.184 174 G HA2 -0.358 3.637 3.960 0.059 0.000 0.264 174 G HA3 -0.358 3.637 3.960 0.059 0.000 0.264 174 G C 0.004 174.952 174.900 0.081 0.000 0.975 174 G CA 0.578 45.722 45.100 0.074 0.000 0.642 174 G HN 0.549 8.897 8.290 0.097 0.000 0.536 175 Q N -2.385 117.501 119.800 0.143 0.000 2.179 175 Q HA 0.125 4.496 4.340 0.053 0.000 0.244 175 Q C -0.605 175.536 176.000 0.234 0.000 0.808 175 Q CA -0.408 55.484 55.803 0.149 0.000 0.955 175 Q CB 2.047 30.910 28.738 0.210 0.000 1.141 175 Q HN -0.517 7.815 8.270 0.182 0.047 0.485 176 I N 0.305 121.010 120.570 0.226 0.000 2.331 176 I HA 0.026 4.351 4.170 0.258 0.000 0.292 176 I C -0.037 176.165 176.117 0.141 0.000 0.998 176 I CA -1.826 59.598 61.300 0.207 0.000 1.267 176 I CB -0.629 37.478 38.000 0.178 0.000 1.386 176 I HN -0.393 7.937 8.210 0.202 0.000 0.476 177 T N 2.599 117.235 114.554 0.136 0.000 2.922 177 T HA 0.283 4.681 4.350 0.081 0.000 0.281 177 T C 1.103 175.861 174.700 0.097 0.000 1.005 177 T CA -2.073 60.085 62.100 0.097 0.000 0.982 177 T CB 2.898 71.815 68.868 0.082 0.000 1.158 177 T HN -0.454 7.884 8.240 0.163 0.000 0.566 178 S N -2.582 113.160 115.700 0.070 0.000 2.547 178 S HA -0.149 4.362 4.470 0.068 0.000 0.235 178 S C 0.410 175.056 174.600 0.078 0.000 0.980 178 S CA 2.003 60.239 58.200 0.061 0.000 0.941 178 S CB -0.714 62.501 63.200 0.025 0.000 0.763 178 S HN 0.235 8.579 8.310 0.056 0.000 0.532 179 N N 0.464 119.227 118.700 0.105 0.000 2.268 179 N HA 0.227 5.049 4.740 0.137 0.000 0.204 179 N C -1.449 174.194 175.510 0.222 0.000 1.124 179 N CA -0.243 52.906 53.050 0.163 0.000 0.838 179 N CB 0.976 39.579 38.487 0.193 0.000 0.994 179 N HN -0.511 7.849 8.380 0.101 0.081 0.489 180 M N -1.071 118.646 119.600 0.195 0.000 2.572 180 M HA 0.693 5.451 4.480 0.134 -0.198 0.299 180 M C -2.188 174.254 176.300 0.236 0.000 1.205 180 M CA -0.269 55.127 55.300 0.159 0.000 0.876 180 M CB 5.024 37.689 32.600 0.110 0.000 1.728 180 M HN -0.758 7.551 8.290 0.174 0.086 0.458 181 F N -4.514 115.477 119.950 0.069 0.000 2.626 181 F HA 0.623 5.176 4.527 0.044 0.000 0.311 181 F C -2.481 173.365 175.800 0.077 0.000 1.088 181 F CA -2.421 55.615 58.000 0.061 0.000 0.949 181 F CB 2.439 41.474 39.000 0.059 0.000 1.322 181 F HN 0.167 8.386 8.300 -0.135 0.000 0.461 182 c N -0.616 118.121 118.600 0.228 0.000 2.366 182 c HA 0.958 5.754 4.570 0.047 -0.197 0.345 182 c C -0.897 173.373 174.090 0.301 0.000 1.209 182 c CA -1.051 55.369 56.329 0.152 0.000 2.050 182 c CB 2.239 44.813 42.510 0.107 0.000 2.359 182 c HN 0.845 9.250 8.230 0.293 0.000 0.527 183 A N 2.751 125.732 122.820 0.269 0.000 2.446 183 A HA 0.612 5.115 4.320 0.083 -0.133 0.282 183 A C -2.444 175.183 177.584 0.071 0.000 1.102 183 A CA -0.514 51.598 52.037 0.125 0.000 0.737 183 A CB 2.625 21.622 19.000 -0.006 0.000 1.212 183 A HN 0.212 8.563 8.150 0.335 0.000 0.434 184 Y N 2.450 122.782 120.300 0.054 0.000 2.383 184 Y HA 0.084 4.655 4.550 0.034 0.000 0.344 184 Y C 0.900 176.817 175.900 0.028 0.000 0.986 184 Y CA -0.336 57.786 58.100 0.037 0.000 1.175 184 Y CB 0.855 39.334 38.460 0.031 0.000 1.152 184 Y HN 0.128 8.506 8.280 0.162 0.000 0.511 185 L N 4.370 125.663 121.223 0.117 0.000 2.275 185 L HA -0.352 4.019 4.340 0.052 0.000 0.215 185 L C 1.149 178.063 176.870 0.073 0.000 1.119 185 L CA 2.326 57.206 54.840 0.067 0.000 0.790 185 L CB -0.413 41.665 42.059 0.032 0.000 0.919 185 L HN 0.497 8.784 8.230 0.095 0.000 0.443 186 E N -2.208 118.054 120.200 0.104 0.000 2.478 186 E HA -0.144 4.234 4.350 0.047 0.000 0.198 186 E C 0.483 177.118 176.600 0.058 0.000 1.046 186 E CA 0.062 56.502 56.400 0.067 0.000 0.870 186 E CB -0.388 29.349 29.700 0.061 0.000 0.818 186 E HN 0.029 8.445 8.360 0.143 0.029 0.527 187 G N 0.668 109.521 108.800 0.088 0.000 3.391 187 G HA2 -0.372 3.636 3.960 0.043 0.000 0.683 187 G HA3 -0.372 3.673 3.960 0.078 -0.038 0.683 187 G C -0.886 174.038 174.900 0.040 0.000 1.071 187 G CA -0.228 44.911 45.100 0.064 0.000 0.904 187 G HN -0.518 7.686 8.290 0.129 0.163 0.452 188 K N 1.319 121.737 120.400 0.029 0.000 7.076 188 K HA -0.588 3.991 4.320 0.034 -0.239 0.747 188 K C -1.532 175.169 176.600 0.168 0.000 2.505 188 K CA 0.347 56.672 56.287 0.062 0.000 1.814 188 K CB 0.117 32.587 32.500 -0.050 0.000 2.142 188 K HN 0.165 8.455 8.250 0.067 0.000 0.274 189 D N 0.638 121.114 120.400 0.128 0.000 2.725 189 D HA 0.244 4.993 4.640 0.183 0.000 0.292 189 D C -1.833 174.533 176.300 0.111 0.000 1.288 189 D CA -0.678 53.406 54.000 0.140 0.000 0.784 189 D CB 4.072 44.938 40.800 0.111 0.000 1.308 189 D HN -0.048 8.377 8.370 0.091 0.000 0.429 190 S N -1.383 114.398 115.700 0.135 0.000 2.632 190 S HA 0.312 4.928 4.470 0.093 -0.090 0.267 190 S C -1.271 173.370 174.600 0.069 0.000 1.276 190 S CA -0.412 57.854 58.200 0.111 0.000 0.998 190 S CB 0.965 64.266 63.200 0.168 0.000 0.953 190 S HN 0.256 8.669 8.310 0.172 0.000 0.547 191 c N -0.104 118.541 118.600 0.074 0.000 3.336 191 c HA 0.369 4.976 4.570 0.062 0.000 0.339 191 c C -1.418 172.744 174.090 0.120 0.000 1.468 191 c CA -0.557 55.814 56.329 0.069 0.000 1.287 191 c CB 3.506 46.032 42.510 0.027 0.000 1.682 191 c HN 0.323 8.928 8.230 0.088 -0.323 0.451 192 Q N 2.081 121.965 119.800 0.140 0.000 2.308 192 Q HA -0.353 4.114 4.340 0.212 0.000 0.313 192 Q C 0.801 177.004 176.000 0.338 0.000 1.075 192 Q CA 2.205 58.143 55.803 0.225 0.000 0.995 192 Q CB 0.441 29.327 28.738 0.246 0.000 1.107 192 Q HN 0.683 9.018 8.270 0.108 0.000 0.380 193 G N 6.411 115.412 108.800 0.334 0.000 2.232 193 G HA2 -0.372 3.902 3.960 0.524 0.000 0.226 193 G HA3 -0.372 3.807 3.960 0.366 0.000 0.226 193 G C 0.405 175.554 174.900 0.416 0.000 0.996 193 G CA 0.696 46.046 45.100 0.417 0.000 0.626 193 G HN 0.876 9.341 8.290 0.291 0.000 0.509 194 D N 1.440 122.015 120.400 0.292 0.000 2.323 194 D HA -0.001 4.793 4.640 0.257 0.000 0.209 194 D C 0.131 176.552 176.300 0.202 0.000 0.973 194 D CA 1.411 55.550 54.000 0.231 0.000 0.874 194 D CB 0.320 41.216 40.800 0.161 0.000 0.930 194 D HN -0.071 8.371 8.370 0.260 0.083 0.521 195 S N -0.916 114.908 115.700 0.206 0.000 2.642 195 S HA -0.360 4.374 4.470 0.217 -0.135 0.308 195 S C 1.151 175.793 174.600 0.071 0.000 1.255 195 S CA 2.518 60.834 58.200 0.192 0.000 1.057 195 S CB -0.434 62.953 63.200 0.311 0.000 0.785 195 S HN -0.159 8.239 8.310 0.231 0.051 0.500 196 G N 4.965 113.793 108.800 0.047 0.000 2.241 196 G HA2 -0.428 3.619 3.960 -0.048 0.000 0.244 196 G HA3 -0.428 3.594 3.960 -0.016 -0.071 0.244 196 G C -0.305 174.639 174.900 0.073 0.000 0.998 196 G CA 0.342 45.444 45.100 0.004 0.000 0.621 196 G HN 0.565 8.912 8.290 0.095 0.000 0.519 197 G N 0.867 109.737 108.800 0.117 0.000 2.621 197 G HA2 0.374 4.418 3.960 0.140 0.000 0.271 197 G HA3 0.374 4.484 3.960 0.139 -0.066 0.271 197 G C -2.658 172.333 174.900 0.151 0.000 1.236 197 G CA -2.033 43.150 45.100 0.139 0.000 0.958 197 G HN -0.406 7.868 8.290 0.126 0.092 0.512 198 P HA 0.255 4.765 4.420 0.149 0.000 0.282 198 P C -1.613 175.759 177.300 0.119 0.000 1.249 198 P CA -0.881 62.320 63.100 0.168 0.000 0.806 198 P CB 1.553 33.432 31.700 0.298 0.000 0.984 199 V N 2.359 122.323 119.914 0.083 0.000 2.349 199 V HA 0.282 4.566 4.120 -0.006 -0.168 0.284 199 V C -0.923 175.188 176.094 0.030 0.000 1.014 199 V CA -0.534 61.776 62.300 0.017 0.000 0.826 199 V CB 1.165 32.950 31.823 -0.063 0.000 1.009 199 V HN -0.114 8.136 8.190 0.099 0.000 0.431 200 V N 8.501 128.426 119.914 0.018 0.000 2.417 200 V HA 0.565 4.856 4.120 -0.051 -0.202 0.291 200 V C -1.301 174.783 176.094 -0.017 0.000 1.024 200 V CA -1.079 61.206 62.300 -0.024 0.000 0.861 200 V CB 2.641 34.434 31.823 -0.050 0.000 0.985 200 V HN 0.274 8.486 8.190 0.036 0.000 0.436 201 c N 6.720 125.296 118.600 -0.039 0.000 2.397 201 c HA 0.523 5.076 4.570 -0.028 0.000 0.325 201 c C 0.697 174.761 174.090 -0.044 0.000 1.201 201 c CA -1.402 54.901 56.329 -0.043 0.000 1.377 201 c CB 0.981 43.447 42.510 -0.073 0.000 2.038 201 c HN 0.459 8.659 8.230 -0.050 0.000 0.457 202 S N 3.469 119.151 115.700 -0.029 0.000 3.614 202 S HA -0.312 4.148 4.470 -0.017 0.000 0.360 202 S C 0.208 174.790 174.600 -0.030 0.000 1.023 202 S CA 0.980 59.164 58.200 -0.026 0.000 1.114 202 S CB -1.878 61.302 63.200 -0.033 0.000 0.907 202 S HN 1.179 9.477 8.310 -0.021 0.000 0.470 203 G N -3.094 105.686 108.800 -0.032 0.000 2.155 203 G HA2 -0.448 3.492 3.960 -0.033 0.000 0.257 203 G HA3 -0.448 3.484 3.960 -0.046 0.000 0.257 203 G C -1.359 173.493 174.900 -0.081 0.000 0.983 203 G CA 0.262 45.334 45.100 -0.047 0.000 0.676 203 G HN 0.307 8.562 8.290 -0.025 0.020 0.528 210 Q N 0.761 120.586 119.800 0.042 0.000 2.391 210 Q HA 0.212 4.593 4.340 0.068 0.000 0.211 210 Q C -0.296 175.868 176.000 0.273 0.000 0.908 210 Q CA 0.429 56.279 55.803 0.079 0.000 0.920 210 Q CB 2.407 31.111 28.738 -0.056 0.000 1.056 210 Q HN 0.247 8.532 8.270 0.024 0.000 0.523 211 G N -3.121 105.855 108.800 0.294 0.000 2.672 211 G HA2 0.631 4.849 3.960 0.429 0.000 0.292 211 G HA3 0.631 5.116 3.960 0.442 -0.259 0.292 211 G C -3.205 171.820 174.900 0.209 0.000 1.375 211 G CA -0.687 44.633 45.100 0.367 0.000 0.890 211 G HN -0.402 8.004 8.290 0.193 0.000 0.476 212 I N -0.869 119.822 120.570 0.202 0.000 2.498 212 I HA 0.628 5.114 4.170 0.175 -0.211 0.290 212 I C -0.299 175.958 176.117 0.234 0.000 1.032 212 I CA -1.642 59.766 61.300 0.180 0.000 1.073 212 I CB 4.185 42.255 38.000 0.115 0.000 1.251 212 I HN -0.398 7.930 8.210 0.197 0.000 0.426 213 V N 6.409 126.477 119.914 0.257 0.000 2.458 213 V HA -0.237 3.979 4.120 0.160 0.000 0.287 213 V C -0.845 175.301 176.094 0.087 0.000 1.009 213 V CA 1.658 64.066 62.300 0.181 0.000 1.091 213 V CB -1.766 30.178 31.823 0.201 0.000 0.960 213 V HN 0.156 8.483 8.190 0.229 0.000 0.476 214 S N 9.198 124.839 115.700 -0.098 0.000 3.066 214 S HA 0.356 5.028 4.470 0.337 0.000 0.235 214 S C -1.347 173.318 174.600 0.109 0.000 0.995 214 S CA 0.096 58.361 58.200 0.109 0.000 0.835 214 S CB 2.713 65.960 63.200 0.079 0.000 0.814 214 S HN 0.079 8.148 8.310 -0.402 0.000 0.594 215 W N -3.734 117.380 121.300 -0.310 0.000 2.895 215 W HA 0.253 4.761 4.660 -0.253 0.000 0.377 215 W C -2.867 173.452 176.519 -0.333 0.000 1.191 215 W CA -0.701 56.465 57.345 -0.299 0.000 1.179 215 W CB 1.170 30.449 29.460 -0.301 0.000 1.469 215 W HN -0.175 7.678 8.180 -0.544 0.000 0.577 216 G N -2.773 106.051 108.800 0.041 0.000 2.427 216 G HA2 0.089 3.966 3.960 -0.139 0.000 0.306 216 G HA3 0.089 3.740 3.960 -0.515 0.000 0.306 216 G C -2.325 172.710 174.900 0.226 0.000 1.280 216 G CA 0.170 45.203 45.100 -0.111 0.000 0.837 216 G HN -0.109 8.357 8.290 0.294 0.000 0.482 220 c N 1.558 120.191 118.600 0.055 0.000 3.206 220 c HA 0.275 5.012 4.570 0.053 -0.135 0.206 220 c C -1.428 172.689 174.090 0.045 0.000 1.836 220 c CA -0.949 55.409 56.329 0.048 0.000 1.382 220 c CB -1.375 41.155 42.510 0.033 0.000 2.405 220 c HN 0.349 8.608 8.230 0.050 0.000 0.516 221 Q N -1.744 118.083 119.800 0.046 0.000 2.967 221 Q HA 0.064 4.421 4.340 0.028 0.000 0.237 221 Q C -1.362 174.656 176.000 0.029 0.000 0.993 221 Q CA -0.553 55.270 55.803 0.033 0.000 0.888 221 Q CB 2.041 30.798 28.738 0.032 0.000 2.137 221 Q HN 0.179 8.481 8.270 0.053 0.000 0.539 222 K N 2.711 123.122 120.400 0.018 0.000 2.484 222 K HA -0.257 4.216 4.320 0.023 -0.139 0.280 222 K C 0.625 177.218 176.600 -0.012 0.000 1.013 222 K CA 1.229 57.523 56.287 0.012 0.000 1.029 222 K CB 0.145 32.649 32.500 0.007 0.000 0.902 222 K HN 0.395 8.655 8.250 0.017 0.000 0.481 223 N N 3.708 122.397 118.700 -0.019 0.000 2.753 223 N HA -0.408 4.299 4.740 -0.055 0.000 0.251 223 N C -1.375 174.048 175.510 -0.144 0.000 1.097 223 N CA 1.572 54.582 53.050 -0.067 0.000 0.786 223 N CB -0.520 37.925 38.487 -0.070 0.000 1.137 223 N HN 0.532 8.807 8.380 0.002 0.106 0.566 224 K N -2.628 117.723 120.400 -0.081 0.000 2.842 224 K HA 0.543 4.672 4.320 -0.318 0.000 0.176 224 K C -2.538 174.109 176.600 0.078 0.000 1.080 224 K CA -3.324 52.908 56.287 -0.091 0.000 0.954 224 K CB 0.231 32.724 32.500 -0.012 0.000 1.203 224 K HN -0.743 7.432 8.250 -0.027 0.059 0.611 225 P HA 0.021 4.502 4.420 0.102 0.000 0.276 225 P C -0.574 176.774 177.300 0.080 0.000 1.261 225 P CA -0.810 62.356 63.100 0.111 0.000 0.800 225 P CB 1.184 32.940 31.700 0.093 0.000 1.066 226 G N -2.704 106.103 108.800 0.011 0.000 2.491 226 G HA2 0.076 3.875 3.960 -0.269 0.000 0.242 226 G HA3 0.076 3.816 3.960 -0.366 0.000 0.242 226 G C -1.045 173.519 174.900 -0.559 0.000 1.266 226 G CA -0.338 44.588 45.100 -0.289 0.000 0.844 226 G HN -0.328 8.096 8.290 0.094 -0.078 0.571 227 V N 1.748 120.995 119.914 -1.111 0.000 2.513 227 V HA 0.602 4.402 4.120 -0.811 -0.167 0.299 227 V C -0.902 174.397 176.094 -1.325 0.000 1.035 227 V CA -2.278 59.302 62.300 -1.200 0.000 0.889 227 V CB 1.728 32.445 31.823 -1.844 0.000 0.988 227 V HN 0.201 7.714 8.190 -1.128 0.000 0.440 228 Y N 4.497 124.379 120.300 -0.697 0.000 2.477 228 Y HA 0.476 4.939 4.550 -0.405 -0.157 0.347 228 Y C 0.129 175.748 175.900 -0.469 0.000 0.981 228 Y CA -1.913 55.793 58.100 -0.656 0.000 1.033 228 Y CB 4.027 41.807 38.460 -1.134 0.000 1.245 228 Y HN 0.797 8.664 8.280 -0.689 0.000 0.455 229 T N 5.459 119.997 114.554 -0.027 0.000 2.888 229 T HA -0.047 4.518 4.350 0.123 -0.142 0.301 229 T C -0.601 174.263 174.700 0.273 0.000 1.001 229 T CA 1.755 63.921 62.100 0.109 0.000 1.147 229 T CB 0.356 69.269 68.868 0.075 0.000 0.931 229 T HN 0.283 8.529 8.240 0.009 0.000 0.541 230 K N 8.251 128.893 120.400 0.402 0.000 2.183 230 K HA 0.139 4.870 4.320 0.685 0.000 0.272 230 K C 1.129 177.989 176.600 0.432 0.000 1.113 230 K CA -0.730 55.858 56.287 0.502 0.000 0.949 230 K CB -0.202 32.545 32.500 0.411 0.000 1.365 230 K HN 0.002 8.381 8.250 0.371 0.094 0.420 231 V N 6.158 126.306 119.914 0.390 0.000 2.490 231 V HA -0.498 3.920 4.120 0.496 0.000 0.250 231 V C 1.377 177.643 176.094 0.288 0.000 1.061 231 V CA 3.890 66.412 62.300 0.370 0.000 1.064 231 V CB -0.230 31.739 31.823 0.243 0.000 0.670 231 V HN 0.258 8.687 8.190 0.398 0.000 0.461 232 c N -2.647 116.048 118.600 0.158 0.000 2.410 232 c HA -0.269 4.346 4.570 0.076 0.000 0.281 232 c C 1.917 176.021 174.090 0.023 0.000 1.318 232 c CA 2.031 58.403 56.329 0.071 0.000 1.776 232 c CB -2.000 40.518 42.510 0.013 0.000 1.942 232 c HN 0.406 8.701 8.230 0.152 0.026 0.508 233 N N 1.122 119.789 118.700 -0.056 0.000 2.512 233 N HA -0.133 4.491 4.740 -0.194 0.000 0.183 233 N C 0.601 175.850 175.510 -0.435 0.000 1.073 233 N CA 1.555 54.425 53.050 -0.299 0.000 0.911 233 N CB -0.330 37.848 38.487 -0.516 0.000 0.964 233 N HN -0.416 7.935 8.380 0.008 0.034 0.447 234 Y N -4.785 115.592 120.300 0.129 0.000 2.467 234 Y HA 0.136 4.840 4.550 0.257 0.000 0.250 234 Y C 0.280 176.339 175.900 0.266 0.000 1.155 234 Y CA -0.235 58.009 58.100 0.240 0.000 1.249 234 Y CB 0.108 38.734 38.460 0.277 0.000 1.146 234 Y HN -0.285 7.888 8.280 0.134 0.187 0.524 235 V N 1.064 121.118 119.914 0.233 0.000 2.343 235 V HA -0.577 3.641 4.120 0.163 0.000 0.247 235 V C 1.589 177.755 176.094 0.120 0.000 1.051 235 V CA 5.224 67.615 62.300 0.152 0.000 1.036 235 V CB -0.540 31.332 31.823 0.081 0.000 0.654 235 V HN -0.752 7.537 8.190 0.164 0.000 0.451 236 S N 0.290 116.065 115.700 0.125 0.000 2.359 236 S HA -0.297 4.204 4.470 0.052 0.000 0.224 236 S C 1.696 176.380 174.600 0.140 0.000 1.035 236 S CA 3.675 61.935 58.200 0.101 0.000 1.018 236 S CB -0.664 62.592 63.200 0.093 0.000 0.876 236 S HN 0.225 8.606 8.310 0.120 0.000 0.448 237 W N 1.860 123.197 121.300 0.062 0.000 2.358 237 W HA -0.294 4.382 4.660 0.026 0.000 0.303 237 W C 1.360 177.886 176.519 0.011 0.000 1.208 237 W CA 3.287 60.670 57.345 0.064 0.000 1.274 237 W CB -0.138 29.432 29.460 0.183 0.000 1.138 237 W HN -0.345 8.093 8.180 0.430 0.000 0.515 238 I N -0.708 119.810 120.570 -0.088 0.000 2.142 238 I HA -0.753 2.915 4.170 -0.836 0.000 0.240 238 I C 1.952 177.806 176.117 -0.437 0.000 1.078 238 I CA 4.501 65.553 61.300 -0.413 0.000 1.343 238 I CB -0.257 37.680 38.000 -0.104 0.000 1.046 238 I HN 0.041 8.399 8.210 0.247 0.000 0.405 239 K N -1.190 119.074 120.400 -0.227 0.000 2.097 239 K HA -0.372 3.796 4.320 -0.254 0.000 0.205 239 K C 2.848 179.301 176.600 -0.244 0.000 1.050 239 K CA 3.625 59.782 56.287 -0.216 0.000 0.938 239 K CB -0.293 32.141 32.500 -0.110 0.000 0.718 239 K HN -0.255 7.920 8.250 -0.125 0.000 0.442 240 Q N -2.097 117.574 119.800 -0.214 0.000 2.079 240 Q HA -0.300 3.953 4.340 -0.144 0.000 0.200 240 Q C 2.444 178.277 176.000 -0.279 0.000 0.974 240 Q CA 3.383 59.075 55.803 -0.186 0.000 0.840 240 Q CB -0.062 28.618 28.738 -0.097 0.000 0.898 240 Q HN -0.219 7.945 8.270 -0.178 0.000 0.430 241 T N 2.513 116.782 114.554 -0.476 0.000 2.708 241 T HA -0.349 3.768 4.350 -0.388 0.000 0.266 241 T C 2.020 176.372 174.700 -0.580 0.000 1.037 241 T CA 4.595 66.357 62.100 -0.563 0.000 1.146 241 T CB -0.270 68.022 68.868 -0.960 0.000 0.865 241 T HN -0.189 7.720 8.240 -0.553 0.000 0.435 242 I N 0.067 120.164 120.570 -0.788 0.000 2.208 242 I HA -0.434 2.902 4.170 -1.389 0.000 0.245 242 I C 2.255 178.161 176.117 -0.351 0.000 1.097 242 I CA 3.751 64.494 61.300 -0.928 0.000 1.363 242 I CB -0.359 37.039 38.000 -1.003 0.000 1.051 242 I HN -0.169 7.576 8.210 -0.775 0.000 0.413 243 A N -0.841 121.825 122.820 -0.257 0.000 2.066 243 A HA -0.168 4.104 4.320 -0.080 0.000 0.218 243 A C 1.237 178.783 177.584 -0.062 0.000 1.157 243 A CA 2.641 54.609 52.037 -0.116 0.000 0.670 243 A CB -0.433 18.506 19.000 -0.102 0.000 0.804 243 A HN -0.327 7.643 8.150 -0.302 0.000 0.453 244 S N -3.788 111.863 115.700 -0.082 0.000 2.556 244 S HA 0.132 4.593 4.470 -0.014 0.000 0.216 244 S C -0.522 174.091 174.600 0.022 0.000 0.970 244 S CA 0.361 58.543 58.200 -0.030 0.000 0.912 244 S CB 0.239 63.412 63.200 -0.045 0.000 0.790 244 S HN -0.146 8.003 8.310 -0.141 0.076 0.504 245 N N 0.000 118.745 118.700 0.075 0.000 1.763 245 N HA 0.000 4.830 4.740 0.149 0.000 0.220 245 N CA 0.000 53.179 53.050 0.216 0.000 0.885 245 N CB 0.000 38.687 38.487 0.332 0.000 1.341 245 N HN 0.000 8.127 8.380 0.038 0.276 0.667