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 1euf_1_A DATA FIRST_RESID 16 DATA SEQUENCE IIGGHEAKPH SRPYMAFLLF GKSXHIcGGF LVREDFVLTA AHcXLGSSIN DATA SEQUENCE VTLGAHNIME RERTQQVIPV RRPIPHPDYN DETLANDIML LKLTRKADIT DATA SEQUENCE DKVSPINLPR SLAEVKPGMM cSVAGWGRLG VNMXPSTDKL QEVDLEVQSE DATA SEQUENCE EKcIARFKNY IPFTQIcAPS KRKNSFSGDS GGPLVcNXXX XGVAQGIVSY DATA SEQUENCE GRNDGXXTTP DVYTRISSFL SWIHSTMR 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 4.170 4.170 -0.000 0.000 0.288 16 I C 0.000 176.147 176.117 0.050 0.000 1.063 16 I CA 0.000 61.339 61.300 0.065 0.000 1.566 16 I CB 0.000 37.986 38.000 -0.023 0.000 1.214 17 I N 3.599 124.186 120.570 0.028 0.000 2.441 17 I HA 0.545 4.716 4.170 0.001 0.000 0.295 17 I C 1.186 177.291 176.117 -0.020 0.000 0.994 17 I CA -0.304 60.985 61.300 -0.019 0.000 1.144 17 I CB 1.905 39.853 38.000 -0.088 0.000 1.314 17 I HN 0.883 9.093 8.210 -0.000 0.000 0.445 18 G N 4.007 112.796 108.800 -0.018 0.000 2.258 18 G HA2 -0.188 3.772 3.960 0.001 0.000 0.274 18 G HA3 -0.188 3.772 3.960 0.001 0.000 0.274 18 G C 0.352 175.254 174.900 0.005 0.000 1.021 18 G CA 0.340 45.436 45.100 -0.005 0.000 0.798 18 G HN 1.005 9.295 8.290 -0.000 0.000 0.507 19 G N -0.911 107.880 108.800 -0.016 0.000 2.828 19 G HA2 0.813 4.773 3.960 0.001 0.000 0.244 19 G HA3 0.813 4.773 3.960 0.001 0.000 0.244 19 G C -0.247 174.644 174.900 -0.014 0.000 1.365 19 G CA -0.169 44.893 45.100 -0.063 0.000 1.041 19 G HN 1.167 9.457 8.290 -0.000 0.000 0.560 20 H N -1.590 117.468 119.070 -0.019 0.000 2.985 20 H HA 0.477 5.033 4.556 0.001 0.000 0.360 20 H C -1.116 174.197 175.328 -0.026 0.000 1.221 20 H CA -0.677 55.361 56.048 -0.017 0.000 1.121 20 H CB 1.589 31.345 29.762 -0.011 0.000 1.854 20 H HN 0.515 8.795 8.280 -0.000 0.000 0.551 21 E N 1.098 121.374 120.200 0.128 0.000 2.414 21 E HA 0.363 4.714 4.350 0.001 0.000 0.263 21 E C -0.371 176.327 176.600 0.165 0.000 1.000 21 E CA -0.368 56.077 56.400 0.076 0.000 0.914 21 E CB 0.621 30.380 29.700 0.099 0.000 0.948 21 E HN 0.632 8.992 8.360 -0.000 0.000 0.444 22 A N 4.820 127.684 122.820 0.073 0.000 2.371 22 A HA 0.152 4.473 4.320 0.001 0.000 0.257 22 A C 0.063 177.705 177.584 0.096 0.000 1.089 22 A CA -0.392 51.694 52.037 0.082 0.000 0.794 22 A CB 0.525 19.511 19.000 -0.024 0.000 1.029 22 A HN 0.758 8.908 8.150 -0.000 0.000 0.488 23 K N 1.892 122.311 120.400 0.032 0.000 2.448 23 K HA 0.143 4.463 4.320 0.001 0.000 0.278 23 K C -2.440 174.040 176.600 -0.200 0.000 1.009 23 K CA -1.112 55.142 56.287 -0.055 0.000 0.995 23 K CB 0.096 32.578 32.500 -0.030 0.000 0.917 23 K HN 0.312 8.562 8.250 -0.000 0.000 0.481 24 P HA -0.113 4.307 4.420 -0.000 0.000 0.258 24 P C -1.106 175.964 177.300 -0.383 0.000 1.172 24 P CA 0.738 63.342 63.100 -0.826 0.000 0.762 24 P CB 0.190 31.476 31.700 -0.690 0.000 0.764 25 H N 0.461 119.456 119.070 -0.125 0.000 3.047 25 H HA -0.156 4.402 4.556 0.004 0.000 0.263 25 H C 1.106 176.397 175.328 -0.061 0.000 1.168 25 H CA 1.200 57.220 56.048 -0.046 0.000 1.152 25 H CB -2.048 27.692 29.762 -0.037 0.000 1.278 25 H HN 0.548 8.828 8.280 -0.000 0.000 0.339 26 S N 0.074 115.759 115.700 -0.025 0.000 2.555 26 S HA 0.034 4.505 4.470 0.001 0.000 0.230 26 S C 1.056 175.616 174.600 -0.067 0.000 0.978 26 S CA 0.342 58.530 58.200 -0.020 0.000 0.934 26 S CB 0.206 63.397 63.200 -0.016 0.000 0.766 26 S HN 0.465 8.775 8.310 -0.000 0.000 0.533 27 R N 1.411 121.809 120.500 -0.171 0.000 2.681 27 R HA 0.278 4.619 4.340 0.001 0.000 0.277 27 R C -2.338 173.610 176.300 -0.587 0.000 1.563 27 R CA -1.587 54.207 56.100 -0.509 0.000 1.673 27 R CB 0.807 30.794 30.300 -0.521 0.000 1.258 27 R HN 0.229 8.499 8.270 -0.000 0.000 0.650 28 P HA -0.216 4.204 4.420 -0.000 0.000 0.224 28 P C 0.371 177.651 177.300 -0.033 0.000 1.142 28 P CA 1.320 64.376 63.100 -0.073 0.000 0.778 28 P CB 0.096 31.814 31.700 0.030 0.000 0.764 29 Y N -3.497 116.893 120.300 0.150 0.000 2.500 29 Y HA 0.324 4.874 4.550 0.001 0.000 0.270 29 Y C 1.245 177.285 175.900 0.233 0.000 1.134 29 Y CA -0.965 57.243 58.100 0.180 0.000 1.293 29 Y CB -1.161 37.406 38.460 0.177 0.000 1.063 29 Y HN -0.265 8.015 8.280 -0.000 0.000 0.534 30 M N 2.202 121.821 119.600 0.032 0.000 2.252 30 M HA 0.332 4.813 4.480 0.001 0.000 0.348 30 M C 0.019 176.545 176.300 0.377 0.000 1.334 30 M CA -0.263 55.191 55.300 0.256 0.000 1.071 30 M CB 0.150 32.810 32.600 0.101 0.000 1.763 30 M HN 0.425 8.715 8.290 -0.000 0.000 0.452 31 A N 4.381 127.462 122.820 0.434 0.000 2.374 31 A HA 0.762 5.083 4.320 0.001 0.000 0.317 31 A C -1.335 176.517 177.584 0.447 0.000 1.094 31 A CA -0.630 51.624 52.037 0.361 0.000 0.765 31 A CB 1.158 20.298 19.000 0.234 0.000 1.268 31 A HN 0.678 8.828 8.150 -0.000 0.000 0.438 32 F N 2.751 122.758 119.950 0.094 0.000 2.402 32 F HA 0.642 5.170 4.527 0.001 0.000 0.355 32 F C -1.324 174.464 175.800 -0.021 0.000 1.123 32 F CA -1.047 56.912 58.000 -0.069 0.000 1.021 32 F CB 1.019 39.644 39.000 -0.625 0.000 1.160 32 F HN 0.343 8.643 8.300 -0.000 0.000 0.451 33 L N 6.615 127.568 121.223 -0.450 0.000 2.307 33 L HA 0.517 4.857 4.340 0.001 0.000 0.282 33 L C -1.066 175.539 176.870 -0.441 0.000 1.051 33 L CA -0.628 54.036 54.840 -0.292 0.000 0.804 33 L CB 1.386 43.404 42.059 -0.069 0.000 1.197 33 L HN 0.585 8.815 8.230 -0.000 0.000 0.431 34 L N 5.248 126.358 121.223 -0.188 0.000 2.381 34 L HA 0.728 5.069 4.340 0.001 0.000 0.274 34 L C -0.785 176.115 176.870 0.051 0.000 0.988 34 L CA -0.259 54.482 54.840 -0.165 0.000 0.824 34 L CB 1.110 43.105 42.059 -0.106 0.000 1.263 34 L HN 0.508 8.738 8.230 -0.000 0.000 0.410 35 F N 1.059 120.965 119.950 -0.074 0.000 2.950 35 F HA 0.735 5.262 4.527 0.001 0.000 0.327 35 F C 0.958 176.756 175.800 -0.003 0.000 1.197 35 F CA -0.892 57.080 58.000 -0.047 0.000 0.954 35 F CB 0.773 39.730 39.000 -0.072 0.000 1.442 35 F HN 0.398 8.698 8.300 -0.000 0.000 0.509 36 G N 1.159 109.977 108.800 0.029 0.000 3.211 36 G HA2 0.271 4.232 3.960 0.001 0.000 0.235 36 G HA3 0.271 4.232 3.960 0.001 0.000 0.235 36 G C -0.404 174.523 174.900 0.045 0.000 1.032 36 G CA 0.212 45.330 45.100 0.030 0.000 1.819 36 G HN 0.660 8.950 8.290 -0.000 0.000 0.590 37 K N -0.629 119.815 120.400 0.074 0.000 2.562 37 K HA 0.412 4.733 4.320 0.001 0.000 0.267 37 K C -0.344 176.340 176.600 0.141 0.000 0.938 37 K CA -0.665 55.683 56.287 0.102 0.000 0.840 37 K CB 1.298 33.903 32.500 0.176 0.000 1.390 37 K HN 0.114 8.364 8.250 -0.000 0.000 0.428 41 I N -1.293 119.089 120.570 -0.314 0.000 2.910 41 I HA 0.906 5.076 4.170 0.001 0.000 0.310 41 I C -0.767 175.362 176.117 0.021 0.000 1.043 41 I CA -0.703 60.445 61.300 -0.253 0.000 1.053 41 I CB 2.250 40.133 38.000 -0.195 0.000 1.242 41 I HN 0.575 8.785 8.210 -0.000 0.000 0.452 42 c N 1.497 120.074 118.600 -0.039 0.000 3.312 42 c HA 0.741 5.312 4.570 0.001 0.000 0.332 42 c C 0.385 174.510 174.090 0.058 0.000 1.340 42 c CA -0.301 56.072 56.329 0.075 0.000 1.265 42 c CB 1.509 44.082 42.510 0.105 0.000 1.563 42 c HN 1.162 9.392 8.230 -0.000 0.000 0.471 43 G N 0.038 108.925 108.800 0.146 0.000 2.511 43 G HA2 0.808 4.769 3.960 0.001 0.000 0.316 43 G HA3 0.808 4.769 3.960 0.001 0.000 0.316 43 G C -0.202 174.822 174.900 0.207 0.000 1.210 43 G CA 0.275 45.528 45.100 0.256 0.000 0.969 43 G HN 1.497 9.787 8.290 -0.000 0.000 0.492 44 G N -1.785 107.205 108.800 0.315 0.000 2.495 44 G HA2 0.678 4.639 3.960 0.001 0.000 0.294 44 G HA3 0.678 4.639 3.960 0.001 0.000 0.294 44 G C -1.592 173.620 174.900 0.520 0.000 1.397 44 G CA -0.559 44.725 45.100 0.307 0.000 0.790 44 G HN 1.249 9.539 8.290 -0.000 0.000 0.486 45 F N -1.489 118.550 119.950 0.150 0.000 2.619 45 F HA 0.761 5.288 4.527 0.000 0.000 0.308 45 F C -1.113 174.786 175.800 0.166 0.000 1.097 45 F CA -1.793 56.333 58.000 0.210 0.000 0.953 45 F CB 1.532 40.661 39.000 0.216 0.000 1.287 45 F HN 0.492 8.792 8.300 -0.000 0.000 0.446 46 L N 3.465 124.874 121.223 0.309 0.000 2.361 46 L HA 0.511 4.852 4.340 0.001 0.000 0.278 46 L C 0.584 177.562 176.870 0.180 0.000 1.113 46 L CA -0.031 54.916 54.840 0.180 0.000 0.849 46 L CB 1.290 43.468 42.059 0.198 0.000 1.155 46 L HN 0.793 9.023 8.230 -0.000 0.000 0.452 47 V N 2.023 121.989 119.914 0.088 0.000 3.645 47 V HA 0.508 4.629 4.120 0.001 0.000 0.275 47 V C 0.648 176.799 176.094 0.096 0.000 1.356 47 V CA -0.123 62.230 62.300 0.089 0.000 1.051 47 V CB -0.347 31.479 31.823 0.005 0.000 0.828 47 V HN 0.837 9.027 8.190 -0.000 0.000 0.441 48 R N -0.686 119.884 120.500 0.117 0.000 2.709 48 R HA 0.297 4.637 4.340 0.001 0.000 0.270 48 R C 0.276 176.642 176.300 0.110 0.000 1.038 48 R CA -0.316 55.857 56.100 0.122 0.000 0.872 48 R CB 1.369 31.760 30.300 0.153 0.000 1.259 48 R HN 0.022 8.292 8.270 -0.000 0.000 0.473 49 E N 0.429 120.678 120.200 0.082 0.000 2.187 49 E HA -0.243 4.108 4.350 0.001 0.000 0.199 49 E C 0.681 177.288 176.600 0.012 0.000 1.004 49 E CA 2.206 58.635 56.400 0.048 0.000 0.813 49 E CB 0.047 29.768 29.700 0.035 0.000 0.736 49 E HN 0.557 8.917 8.360 -0.000 0.000 0.468 50 D N -1.297 119.109 120.400 0.010 0.000 2.407 50 D HA -0.004 4.637 4.640 0.001 0.000 0.208 50 D C -0.200 175.897 176.300 -0.339 0.000 1.083 50 D CA -0.072 53.838 54.000 -0.150 0.000 0.844 50 D CB 0.066 40.758 40.800 -0.181 0.000 0.967 50 D HN 0.080 8.450 8.370 -0.000 0.000 0.506 51 F N 0.373 120.294 119.950 -0.048 0.000 2.551 51 F HA 0.476 5.004 4.527 0.000 0.000 0.316 51 F C -0.326 175.415 175.800 -0.099 0.000 1.089 51 F CA -1.080 56.871 58.000 -0.082 0.000 0.915 51 F CB 2.632 41.568 39.000 -0.107 0.000 1.186 51 F HN -0.357 7.943 8.300 -0.000 0.000 0.456 52 V N 4.362 124.318 119.914 0.070 0.000 2.540 52 V HA 0.444 4.565 4.120 0.001 0.000 0.302 52 V C -1.051 174.939 176.094 -0.172 0.000 1.035 52 V CA -0.763 61.498 62.300 -0.064 0.000 0.873 52 V CB 1.980 33.773 31.823 -0.051 0.000 0.992 52 V HN 0.474 8.664 8.190 -0.000 0.000 0.428 53 L N 4.386 125.322 121.223 -0.479 0.000 2.309 53 L HA 0.882 5.222 4.340 0.001 0.000 0.282 53 L C 0.055 176.564 176.870 -0.601 0.000 1.036 53 L CA 0.993 55.466 54.840 -0.612 0.000 0.806 53 L CB 1.718 43.222 42.059 -0.925 0.000 1.220 53 L HN 0.897 9.127 8.230 -0.000 0.000 0.429 54 T N 2.546 116.934 114.554 -0.278 0.000 2.612 54 T HA 0.806 5.157 4.350 0.001 0.000 0.296 54 T C -1.479 173.129 174.700 -0.154 0.000 1.148 54 T CA 0.048 62.065 62.100 -0.139 0.000 1.077 54 T CB 0.896 69.678 68.868 -0.144 0.000 1.591 54 T HN 0.828 9.068 8.240 -0.000 0.000 0.479 55 A N 0.409 123.093 122.820 -0.227 0.000 2.310 55 A HA 0.752 5.072 4.320 0.001 0.000 0.299 55 A C 1.392 178.698 177.584 -0.463 0.000 1.147 55 A CA 0.245 52.079 52.037 -0.338 0.000 0.818 55 A CB 0.515 19.240 19.000 -0.459 0.000 1.096 55 A HN 1.198 9.348 8.150 -0.000 0.000 0.495 56 A N 1.146 123.651 122.820 -0.525 0.000 2.019 56 A HA -0.139 4.182 4.320 0.001 0.000 0.219 56 A C 1.667 178.842 177.584 -0.683 0.000 1.164 56 A CA 1.673 53.277 52.037 -0.720 0.000 0.644 56 A CB -0.931 17.339 19.000 -1.217 0.000 0.805 56 A HN 1.064 9.214 8.150 -0.000 0.000 0.449 57 H N -2.228 116.558 119.070 -0.473 0.000 2.563 57 H HA 0.116 4.673 4.556 0.002 0.000 0.272 57 H C 0.431 175.626 175.328 -0.220 0.000 1.005 57 H CA 0.508 56.441 56.048 -0.193 0.000 1.171 57 H CB -0.701 29.067 29.762 0.009 0.000 1.351 57 H HN 0.403 8.683 8.280 -0.000 0.000 0.602 61 G N 1.280 109.862 108.800 -0.363 0.000 2.782 61 G HA2 0.676 4.636 3.960 0.001 0.000 0.304 61 G HA3 0.676 4.636 3.960 0.001 0.000 0.304 61 G C -1.352 173.564 174.900 0.027 0.000 1.315 61 G CA -0.039 45.059 45.100 -0.003 0.000 0.791 61 G HN 1.022 9.312 8.290 -0.000 0.000 0.519 62 S N -1.410 114.340 115.700 0.084 0.000 2.616 62 S HA 0.537 5.008 4.470 0.001 0.000 0.277 62 S C 0.791 175.432 174.600 0.067 0.000 1.234 62 S CA 0.721 58.950 58.200 0.048 0.000 1.028 62 S CB 1.439 64.660 63.200 0.035 0.000 0.988 62 S HN 2.252 10.562 8.310 -0.000 0.000 0.522 63 S N 0.881 116.603 115.700 0.036 0.000 3.682 63 S HA -0.159 4.312 4.470 0.001 0.000 0.354 63 S C 0.121 174.752 174.600 0.051 0.000 1.034 63 S CA 0.041 58.261 58.200 0.033 0.000 1.084 63 S CB -2.074 61.144 63.200 0.029 0.000 0.903 63 S HN 0.674 8.984 8.310 -0.000 0.000 0.470 64 I N 2.199 122.798 120.570 0.049 0.000 2.668 64 I HA 0.085 4.255 4.170 0.001 0.000 0.285 64 I C 0.792 176.924 176.117 0.025 0.000 1.168 64 I CA 0.189 61.526 61.300 0.060 0.000 1.424 64 I CB 0.226 38.220 38.000 -0.011 0.000 1.377 64 I HN 0.333 8.543 8.210 -0.000 0.000 0.560 65 N N 5.545 124.264 118.700 0.031 0.000 2.314 65 N HA 0.519 5.260 4.740 0.001 0.000 0.304 65 N C -1.000 174.513 175.510 0.006 0.000 1.073 65 N CA -0.434 52.623 53.050 0.012 0.000 0.822 65 N CB 2.645 41.142 38.487 0.017 0.000 1.280 65 N HN 0.169 8.549 8.380 -0.000 0.000 0.489 66 V N 1.207 121.126 119.914 0.008 0.000 2.495 66 V HA 0.486 4.607 4.120 0.001 0.000 0.298 66 V C 0.010 176.133 176.094 0.049 0.000 1.031 66 V CA -0.476 61.837 62.300 0.022 0.000 0.871 66 V CB 1.886 33.715 31.823 0.009 0.000 0.988 66 V HN 0.589 8.779 8.190 -0.000 0.000 0.432 67 T N 6.349 120.957 114.554 0.089 0.000 2.792 67 T HA 0.723 5.074 4.350 0.001 0.000 0.280 67 T C -0.489 174.274 174.700 0.105 0.000 0.990 67 T CA -0.266 61.886 62.100 0.087 0.000 0.960 67 T CB 0.953 69.877 68.868 0.094 0.000 0.939 67 T HN 0.352 8.592 8.240 -0.000 0.000 0.439 68 L N 1.256 122.534 121.223 0.091 0.000 2.319 68 L HA 0.732 5.073 4.340 0.001 0.000 0.267 68 L C 1.194 178.137 176.870 0.122 0.000 1.011 68 L CA -1.079 53.834 54.840 0.122 0.000 0.818 68 L CB 1.417 43.538 42.059 0.102 0.000 1.316 68 L HN 0.871 9.101 8.230 -0.000 0.000 0.432 69 G N 1.080 109.977 108.800 0.163 0.000 2.273 69 G HA2 -0.112 3.849 3.960 0.001 0.000 0.280 69 G HA3 -0.112 3.849 3.960 0.001 0.000 0.280 69 G C -0.015 175.047 174.900 0.269 0.000 1.047 69 G CA 0.326 45.542 45.100 0.192 0.000 0.869 69 G HN 0.917 9.207 8.290 -0.000 0.000 0.502 70 A N -1.448 121.530 122.820 0.264 0.000 2.320 70 A HA 0.887 5.207 4.320 0.001 0.000 0.334 70 A C 0.378 178.160 177.584 0.329 0.000 1.147 70 A CA 0.527 52.698 52.037 0.222 0.000 0.820 70 A CB 1.367 20.358 19.000 -0.015 0.000 1.218 70 A HN 0.905 9.055 8.150 -0.000 0.000 0.482 71 H N 0.692 119.826 119.070 0.108 0.000 2.179 71 H HA 0.229 4.786 4.556 0.002 0.000 0.246 71 H C 0.049 175.505 175.328 0.213 0.000 0.904 71 H CA 0.722 56.813 56.048 0.072 0.000 1.113 71 H CB 0.401 30.031 29.762 -0.219 0.000 1.396 71 H HN 0.547 8.827 8.280 -0.000 0.000 0.484 72 N N 1.496 120.216 118.700 0.035 0.000 2.485 72 N HA 0.086 4.826 4.740 0.001 0.000 0.243 72 N C 0.312 175.713 175.510 -0.181 0.000 0.987 72 N CA -0.182 52.829 53.050 -0.066 0.000 0.940 72 N CB 0.637 39.114 38.487 -0.016 0.000 1.122 72 N HN 0.463 8.843 8.380 -0.000 0.000 0.509 73 I N 1.183 121.499 120.570 -0.423 0.000 3.444 73 I HA 0.089 4.260 4.170 0.001 0.000 0.287 73 I C 1.302 177.154 176.117 -0.441 0.000 1.302 73 I CA 0.602 61.478 61.300 -0.706 0.000 1.368 73 I CB -0.247 36.764 38.000 -1.648 0.000 1.048 73 I HN 0.347 8.557 8.210 -0.000 0.000 0.487 74 M N 1.202 120.648 119.600 -0.257 0.000 2.541 74 M HA 0.226 4.706 4.480 0.001 0.000 0.252 74 M C 0.628 176.864 176.300 -0.107 0.000 1.125 74 M CA 0.545 55.750 55.300 -0.158 0.000 1.091 74 M CB -0.891 31.648 32.600 -0.102 0.000 1.420 74 M HN 0.626 8.916 8.290 -0.000 0.000 0.486 75 E N 0.154 120.294 120.200 -0.100 0.000 2.288 75 E HA 0.469 4.820 4.350 0.001 0.000 0.268 75 E C -0.607 175.960 176.600 -0.056 0.000 0.885 75 E CA -0.906 55.459 56.400 -0.058 0.000 0.767 75 E CB 1.842 31.525 29.700 -0.028 0.000 1.220 75 E HN -0.143 8.217 8.360 -0.000 0.000 0.427 76 R N 2.267 122.745 120.500 -0.036 0.000 2.612 76 R HA 0.118 4.459 4.340 0.001 0.000 0.273 76 R C -0.751 175.545 176.300 -0.006 0.000 1.376 76 R CA 0.091 56.175 56.100 -0.026 0.000 1.171 76 R CB -0.451 29.838 30.300 -0.020 0.000 1.151 76 R HN 0.516 8.786 8.270 -0.000 0.000 0.560 77 E N 2.168 122.372 120.200 0.007 0.000 2.404 77 E HA 0.010 4.361 4.350 0.001 0.000 0.261 77 E C 0.586 177.202 176.600 0.026 0.000 1.074 77 E CA -0.155 56.267 56.400 0.036 0.000 0.917 77 E CB 0.789 30.542 29.700 0.088 0.000 0.965 77 E HN 0.459 8.819 8.360 -0.000 0.000 0.433 78 R N 0.624 121.137 120.500 0.022 0.000 2.120 78 R HA -0.114 4.227 4.340 0.001 0.000 0.234 78 R C 2.138 178.437 176.300 -0.002 0.000 1.123 78 R CA 1.780 57.884 56.100 0.005 0.000 0.975 78 R CB -0.454 29.845 30.300 -0.001 0.000 0.866 78 R HN 0.638 8.908 8.270 -0.000 0.000 0.446 79 T N -1.663 112.890 114.554 -0.002 0.000 3.118 79 T HA -0.014 4.337 4.350 0.001 0.000 0.260 79 T C 0.855 175.566 174.700 0.018 0.000 1.139 79 T CA 0.174 62.258 62.100 -0.026 0.000 1.085 79 T CB 0.095 68.891 68.868 -0.120 0.000 0.934 79 T HN 0.160 8.400 8.240 -0.000 0.000 0.518 80 Q N 1.261 121.082 119.800 0.035 0.000 2.327 80 Q HA 0.325 4.666 4.340 0.001 0.000 0.254 80 Q C -0.477 175.537 176.000 0.023 0.000 0.952 80 Q CA 0.125 55.950 55.803 0.037 0.000 0.884 80 Q CB 0.679 29.428 28.738 0.019 0.000 1.224 80 Q HN 0.514 8.784 8.270 -0.000 0.000 0.422 81 Q N 1.497 121.314 119.800 0.029 0.000 2.320 81 Q HA 0.355 4.695 4.340 0.001 0.000 0.268 81 Q C -1.396 174.618 176.000 0.023 0.000 1.023 81 Q CA -0.441 55.375 55.803 0.022 0.000 0.744 81 Q CB 2.046 30.799 28.738 0.025 0.000 1.246 81 Q HN 0.352 8.622 8.270 -0.000 0.000 0.462 82 V N 5.231 125.154 119.914 0.014 0.000 2.304 82 V HA 0.387 4.508 4.120 0.001 0.000 0.269 82 V C -0.189 175.909 176.094 0.007 0.000 1.036 82 V CA -0.277 62.032 62.300 0.015 0.000 0.840 82 V CB 0.235 32.065 31.823 0.011 0.000 1.036 82 V HN 0.639 8.829 8.190 -0.000 0.000 0.466 83 I N 6.964 127.537 120.570 0.005 0.000 2.378 83 I HA 0.428 4.598 4.170 0.001 0.000 0.291 83 I C -2.441 173.666 176.117 -0.016 0.000 0.992 83 I CA -2.147 59.148 61.300 -0.010 0.000 1.154 83 I CB 2.169 40.159 38.000 -0.017 0.000 1.315 83 I HN 0.356 8.566 8.210 -0.000 0.000 0.448 84 P HA 0.120 4.540 4.420 -0.000 0.000 0.274 84 P C -0.544 176.731 177.300 -0.042 0.000 1.231 84 P CA -0.286 62.800 63.100 -0.024 0.000 0.790 84 P CB 0.755 32.443 31.700 -0.021 0.000 0.951 85 V N 3.427 123.315 119.914 -0.044 0.000 2.546 85 V HA 0.191 4.312 4.120 0.001 0.000 0.284 85 V C 1.826 177.881 176.094 -0.065 0.000 1.050 85 V CA 0.145 62.406 62.300 -0.065 0.000 0.981 85 V CB 0.900 32.685 31.823 -0.062 0.000 0.990 85 V HN 0.582 8.772 8.190 -0.000 0.000 0.474 86 R N 3.229 123.677 120.500 -0.087 0.000 2.075 86 R HA 0.211 4.552 4.340 0.001 0.000 0.220 86 R C 0.956 177.218 176.300 -0.063 0.000 1.118 86 R CA 0.557 56.612 56.100 -0.075 0.000 0.986 86 R CB 0.307 30.550 30.300 -0.095 0.000 0.884 86 R HN 0.660 8.930 8.270 -0.000 0.000 0.439 87 R N 0.961 121.416 120.500 -0.074 0.000 2.510 87 R HA 0.337 4.677 4.340 0.001 0.000 0.287 87 R C -2.870 173.410 176.300 -0.034 0.000 1.084 87 R CA -1.864 54.209 56.100 -0.045 0.000 0.934 87 R CB 2.313 32.594 30.300 -0.031 0.000 1.201 87 R HN 0.043 8.313 8.270 -0.000 0.000 0.431 88 P HA 0.306 4.726 4.420 -0.000 0.000 0.290 88 P C -0.634 176.678 177.300 0.019 0.000 1.276 88 P CA -0.380 62.705 63.100 -0.024 0.000 0.808 88 P CB 1.382 33.047 31.700 -0.059 0.000 0.966 89 I N 4.915 125.522 120.570 0.063 0.000 2.595 89 I HA 0.261 4.432 4.170 0.001 0.000 0.275 89 I C -2.222 174.024 176.117 0.214 0.000 1.092 89 I CA -2.490 58.893 61.300 0.138 0.000 1.145 89 I CB 1.946 40.044 38.000 0.163 0.000 1.276 89 I HN 0.092 8.302 8.210 -0.000 0.000 0.497 90 P HA 0.024 4.444 4.420 -0.000 0.000 0.276 90 P C -0.405 176.895 177.300 0.001 0.000 1.244 90 P CA -0.097 63.007 63.100 0.007 0.000 0.801 90 P CB 0.755 32.404 31.700 -0.085 0.000 1.006 91 H N 3.858 122.710 119.070 -0.364 0.000 2.964 91 H HA 0.014 4.571 4.556 0.001 0.000 0.328 91 H C -1.068 174.110 175.328 -0.250 0.000 1.030 91 H CA -0.798 54.834 56.048 -0.693 0.000 1.445 91 H CB 0.611 29.861 29.762 -0.853 0.000 1.449 91 H HN 0.259 8.539 8.280 -0.000 0.000 0.581 92 P HA -0.139 4.281 4.420 -0.000 0.000 0.221 92 P C 0.315 177.586 177.300 -0.048 0.000 1.145 92 P CA 1.089 64.061 63.100 -0.214 0.000 0.795 92 P CB 0.455 32.023 31.700 -0.220 0.000 0.775 93 D N -2.025 118.450 120.400 0.124 0.000 2.363 93 D HA 0.009 4.650 4.640 0.001 0.000 0.214 93 D C 0.569 176.994 176.300 0.209 0.000 1.093 93 D CA -0.434 53.699 54.000 0.223 0.000 0.837 93 D CB -0.524 40.451 40.800 0.292 0.000 0.948 93 D HN 0.179 8.549 8.370 -0.000 0.000 0.507 94 Y N 2.378 122.729 120.300 0.085 0.000 2.702 94 Y HA 0.044 4.595 4.550 0.002 0.000 0.336 94 Y C 0.151 176.047 175.900 -0.007 0.000 1.235 94 Y CA -0.070 58.028 58.100 -0.003 0.000 1.492 94 Y CB 0.333 38.770 38.460 -0.039 0.000 1.308 94 Y HN -0.229 8.051 8.280 -0.000 0.000 0.589 95 N N 5.239 123.522 118.700 -0.695 0.000 2.483 95 N HA 0.068 4.808 4.740 0.001 0.000 0.267 95 N C -0.114 174.799 175.510 -0.996 0.000 0.998 95 N CA -0.309 52.357 53.050 -0.640 0.000 0.918 95 N CB 0.753 39.071 38.487 -0.282 0.000 1.215 95 N HN 0.896 9.276 8.380 -0.000 0.000 0.500 96 D N 2.041 121.903 120.400 -0.898 0.000 2.378 96 D HA -0.060 4.580 4.640 0.001 0.000 0.227 96 D C 0.504 176.645 176.300 -0.266 0.000 1.012 96 D CA 0.758 54.436 54.000 -0.537 0.000 0.905 96 D CB 0.794 41.462 40.800 -0.220 0.000 0.895 96 D HN 0.568 8.938 8.370 -0.000 0.000 0.532 97 E N -0.532 119.514 120.200 -0.256 0.000 2.057 97 E HA -0.046 4.305 4.350 0.001 0.000 0.191 97 E C 2.161 178.661 176.600 -0.166 0.000 0.959 97 E CA 1.107 57.408 56.400 -0.164 0.000 0.828 97 E CB -0.550 29.074 29.700 -0.126 0.000 0.800 97 E HN 0.310 8.670 8.360 -0.000 0.000 0.460 98 T N -0.727 113.730 114.554 -0.161 0.000 3.088 98 T HA 0.123 4.474 4.350 0.001 0.000 0.259 98 T C 1.321 175.928 174.700 -0.155 0.000 1.122 98 T CA 0.064 62.087 62.100 -0.129 0.000 1.095 98 T CB -0.050 68.778 68.868 -0.067 0.000 0.930 98 T HN 0.190 8.430 8.240 -0.000 0.000 0.508 99 L N -0.778 120.345 121.223 -0.168 0.000 4.291 99 L HA -0.185 4.156 4.340 0.001 0.000 0.413 99 L C 0.817 177.751 176.870 0.106 0.000 1.162 99 L CA -0.015 54.811 54.840 -0.022 0.000 0.961 99 L CB -2.537 39.432 42.059 -0.150 0.000 2.095 99 L HN 0.622 8.852 8.230 -0.000 0.000 0.838 100 A N 0.233 123.070 122.820 0.028 0.000 2.445 100 A HA 0.437 4.758 4.320 0.001 0.000 0.242 100 A C 1.173 178.830 177.584 0.123 0.000 1.075 100 A CA 0.933 53.013 52.037 0.073 0.000 0.777 100 A CB -0.041 18.974 19.000 0.025 0.000 1.013 100 A HN 0.648 8.798 8.150 -0.000 0.000 0.493 101 N N -0.082 118.678 118.700 0.100 0.000 2.740 101 N HA -0.159 4.582 4.740 0.001 0.000 0.248 101 N C -0.819 174.632 175.510 -0.099 0.000 1.062 101 N CA 0.907 53.930 53.050 -0.044 0.000 0.704 101 N CB -0.878 37.553 38.487 -0.093 0.000 0.968 101 N HN 0.757 9.137 8.380 -0.000 0.000 0.547 102 D N 1.309 121.705 120.400 -0.007 0.000 2.489 102 D HA 0.331 4.971 4.640 0.001 0.000 0.237 102 D C -0.342 175.791 176.300 -0.278 0.000 1.212 102 D CA 0.395 54.363 54.000 -0.054 0.000 1.058 102 D CB -0.025 40.858 40.800 0.138 0.000 1.098 102 D HN 0.468 8.838 8.370 -0.000 0.000 0.509 103 I N 2.006 122.322 120.570 -0.423 0.000 2.841 103 I HA 0.456 4.626 4.170 0.001 0.000 0.298 103 I C -1.873 174.082 176.117 -0.269 0.000 1.304 103 I CA -0.839 60.228 61.300 -0.388 0.000 1.019 103 I CB 1.756 39.382 38.000 -0.624 0.000 1.282 103 I HN 0.165 8.375 8.210 -0.000 0.000 0.432 104 M N 7.593 127.134 119.600 -0.099 0.000 2.365 104 M HA 0.474 4.954 4.480 0.001 0.000 0.288 104 M C -2.320 174.019 176.300 0.065 0.000 1.152 104 M CA -0.566 54.755 55.300 0.034 0.000 0.948 104 M CB 2.056 34.572 32.600 -0.141 0.000 1.729 104 M HN 0.550 8.840 8.290 -0.000 0.000 0.487 105 L N 4.823 126.139 121.223 0.155 0.000 2.322 105 L HA 0.626 4.966 4.340 0.001 0.000 0.279 105 L C -1.240 175.691 176.870 0.101 0.000 1.036 105 L CA -0.778 54.094 54.840 0.054 0.000 0.807 105 L CB 1.823 43.821 42.059 -0.102 0.000 1.226 105 L HN 0.670 8.900 8.230 -0.000 0.000 0.433 106 L N 3.738 125.023 121.223 0.103 0.000 2.343 106 L HA 0.433 4.774 4.340 0.001 0.000 0.278 106 L C -0.344 176.467 176.870 -0.098 0.000 0.996 106 L CA -0.569 54.274 54.840 0.004 0.000 0.831 106 L CB 1.806 43.829 42.059 -0.059 0.000 1.232 106 L HN 0.486 8.716 8.230 -0.000 0.000 0.413 107 K N 4.274 124.529 120.400 -0.241 0.000 2.276 107 K HA 0.484 4.804 4.320 0.001 0.000 0.285 107 K C -0.573 175.797 176.600 -0.383 0.000 1.062 107 K CA -0.495 55.398 56.287 -0.657 0.000 0.918 107 K CB 0.742 32.888 32.500 -0.590 0.000 1.055 107 K HN 0.509 8.759 8.250 -0.000 0.000 0.477 108 L N 3.675 124.668 121.223 -0.383 0.000 2.439 108 L HA 0.079 4.419 4.340 0.001 0.000 0.269 108 L C 1.747 178.512 176.870 -0.176 0.000 1.179 108 L CA -0.305 54.407 54.840 -0.213 0.000 0.828 108 L CB 1.001 42.962 42.059 -0.163 0.000 1.106 108 L HN 0.862 9.092 8.230 -0.000 0.000 0.467 109 T N -0.732 113.753 114.554 -0.114 0.000 3.113 109 T HA 0.005 4.356 4.350 0.001 0.000 0.263 109 T C 0.449 175.103 174.700 -0.076 0.000 1.143 109 T CA 0.273 62.321 62.100 -0.087 0.000 1.090 109 T CB -0.266 68.567 68.868 -0.059 0.000 0.922 109 T HN 0.744 8.984 8.240 -0.000 0.000 0.521 110 R N -0.641 119.811 120.500 -0.080 0.000 2.644 110 R HA 0.489 4.830 4.340 0.001 0.000 0.257 110 R C -1.716 174.548 176.300 -0.060 0.000 1.082 110 R CA -1.215 54.848 56.100 -0.060 0.000 0.927 110 R CB 0.960 31.236 30.300 -0.040 0.000 1.258 110 R HN -0.064 8.206 8.270 -0.000 0.000 0.459 111 K N 1.399 121.769 120.400 -0.048 0.000 2.436 111 K HA 0.303 4.623 4.320 0.001 0.000 0.275 111 K C 0.146 176.736 176.600 -0.017 0.000 0.999 111 K CA 0.303 56.570 56.287 -0.034 0.000 0.980 111 K CB 0.727 33.215 32.500 -0.019 0.000 0.919 111 K HN 0.648 8.898 8.250 -0.000 0.000 0.484 112 A N 3.004 125.821 122.820 -0.006 0.000 2.340 112 A HA 0.098 4.418 4.320 0.001 0.000 0.268 112 A C -0.467 177.126 177.584 0.016 0.000 1.100 112 A CA -0.640 51.402 52.037 0.009 0.000 0.803 112 A CB 0.339 19.354 19.000 0.024 0.000 1.043 112 A HN 0.664 8.814 8.150 -0.000 0.000 0.488 113 D N 2.127 122.536 120.400 0.015 0.000 2.325 113 D HA 0.233 4.874 4.640 0.001 0.000 0.251 113 D C -0.001 176.312 176.300 0.023 0.000 1.196 113 D CA 0.126 54.135 54.000 0.015 0.000 0.866 113 D CB 0.781 41.586 40.800 0.009 0.000 1.101 113 D HN 0.213 8.583 8.370 -0.000 0.000 0.476 114 I N 2.808 123.394 120.570 0.027 0.000 2.452 114 I HA 0.059 4.230 4.170 0.001 0.000 0.287 114 I C 1.409 177.541 176.117 0.026 0.000 1.079 114 I CA 0.044 61.365 61.300 0.035 0.000 1.387 114 I CB -0.005 38.019 38.000 0.040 0.000 1.404 114 I HN 0.346 8.556 8.210 -0.000 0.000 0.522 115 T N 1.716 116.285 114.554 0.025 0.000 2.573 115 T HA 0.316 4.667 4.350 0.001 0.000 0.259 115 T C 0.684 175.393 174.700 0.014 0.000 0.886 115 T CA -0.432 61.675 62.100 0.011 0.000 1.110 115 T CB 1.506 70.370 68.868 -0.006 0.000 1.421 115 T HN 0.554 8.794 8.240 -0.000 0.000 0.523 116 D N -0.315 120.083 120.400 -0.003 0.000 2.348 116 D HA 0.060 4.700 4.640 0.001 0.000 0.211 116 D C 1.082 177.379 176.300 -0.005 0.000 0.998 116 D CA 0.191 54.191 54.000 0.000 0.000 0.873 116 D CB 0.110 40.904 40.800 -0.011 0.000 0.925 116 D HN 0.332 8.702 8.370 -0.000 0.000 0.524 117 K N 0.284 120.668 120.400 -0.026 0.000 2.360 117 K HA 0.228 4.548 4.320 0.001 0.000 0.196 117 K C 0.027 176.652 176.600 0.041 0.000 1.049 117 K CA -0.005 56.264 56.287 -0.029 0.000 1.049 117 K CB 2.341 34.734 32.500 -0.179 0.000 0.881 117 K HN 0.030 8.280 8.250 -0.000 0.000 0.542 118 V N 2.080 122.020 119.914 0.043 0.000 2.532 118 V HA 0.310 4.431 4.120 0.001 0.000 0.294 118 V C -0.920 175.222 176.094 0.080 0.000 1.036 118 V CA -0.738 61.605 62.300 0.071 0.000 0.876 118 V CB 1.574 33.435 31.823 0.063 0.000 1.012 118 V HN 0.284 8.474 8.190 -0.000 0.000 0.432 119 S N 4.831 120.599 115.700 0.114 0.000 2.547 119 S HA 0.808 5.279 4.470 0.001 0.000 0.270 119 S C -3.382 171.331 174.600 0.188 0.000 1.150 119 S CA -1.540 56.735 58.200 0.126 0.000 0.850 119 S CB 2.601 65.867 63.200 0.110 0.000 1.118 119 S HN 0.361 8.671 8.310 -0.000 0.000 0.461 120 P HA 0.430 4.850 4.420 -0.000 0.000 0.272 120 P C -0.710 176.717 177.300 0.211 0.000 1.230 120 P CA -0.553 62.665 63.100 0.197 0.000 0.788 120 P CB 0.434 32.217 31.700 0.137 0.000 0.949 121 I N 1.479 122.162 120.570 0.188 0.000 2.562 121 I HA 0.311 4.481 4.170 0.001 0.000 0.301 121 I C -0.181 175.960 176.117 0.040 0.000 1.003 121 I CA -0.945 60.371 61.300 0.027 0.000 1.127 121 I CB 1.197 38.967 38.000 -0.382 0.000 1.304 121 I HN 0.194 8.404 8.210 -0.000 0.000 0.446 122 N N 6.558 125.264 118.700 0.010 0.000 2.483 122 N HA 0.404 5.145 4.740 0.001 0.000 0.269 122 N C -0.715 174.813 175.510 0.031 0.000 1.209 122 N CA -0.199 52.871 53.050 0.034 0.000 0.969 122 N CB 1.241 39.746 38.487 0.029 0.000 1.173 122 N HN 0.474 8.854 8.380 -0.000 0.000 0.475 123 L N 1.358 122.617 121.223 0.061 0.000 2.400 123 L HA 0.523 4.864 4.340 0.001 0.000 0.264 123 L C -1.783 175.120 176.870 0.054 0.000 1.061 123 L CA -1.623 53.256 54.840 0.066 0.000 0.799 123 L CB 1.286 43.390 42.059 0.076 0.000 1.240 123 L HN 0.361 8.591 8.230 -0.000 0.000 0.461 124 P HA 0.314 4.734 4.420 -0.000 0.000 0.281 124 P C -1.186 176.153 177.300 0.065 0.000 1.264 124 P CA -0.750 62.374 63.100 0.041 0.000 0.824 124 P CB 1.151 32.865 31.700 0.024 0.000 1.092 125 R N 0.107 120.639 120.500 0.053 0.000 2.543 125 R HA 0.261 4.602 4.340 0.001 0.000 0.268 125 R C 1.611 177.943 176.300 0.054 0.000 1.067 125 R CA -0.519 55.618 56.100 0.063 0.000 1.142 125 R CB -0.291 30.034 30.300 0.041 0.000 1.110 125 R HN 0.473 8.743 8.270 -0.000 0.000 0.549 126 S N 1.040 116.776 115.700 0.060 0.000 2.465 126 S HA -0.079 4.392 4.470 0.001 0.000 0.241 126 S C 1.900 176.519 174.600 0.032 0.000 1.000 126 S CA 0.875 59.103 58.200 0.047 0.000 0.964 126 S CB -0.139 63.094 63.200 0.055 0.000 0.763 126 S HN 0.391 8.701 8.310 -0.000 0.000 0.512 127 L N 1.074 122.314 121.223 0.029 0.000 2.005 127 L HA -0.002 4.339 4.340 0.001 0.000 0.207 127 L C 1.527 178.407 176.870 0.016 0.000 1.072 127 L CA 0.527 55.380 54.840 0.021 0.000 0.744 127 L CB -0.956 41.114 42.059 0.019 0.000 0.895 127 L HN 0.241 8.471 8.230 -0.000 0.000 0.433 128 A N 0.857 123.686 122.820 0.015 0.000 2.555 128 A HA 0.111 4.432 4.320 0.001 0.000 0.233 128 A C -0.044 177.541 177.584 0.003 0.000 1.060 128 A CA 0.470 52.512 52.037 0.008 0.000 0.759 128 A CB -0.049 18.955 19.000 0.008 0.000 0.995 128 A HN 0.414 8.564 8.150 -0.000 0.000 0.506 129 E N 0.661 120.861 120.200 -0.001 0.000 2.290 129 E HA 0.414 4.764 4.350 0.001 0.000 0.274 129 E C -1.504 175.090 176.600 -0.010 0.000 0.889 129 E CA -0.829 55.567 56.400 -0.006 0.000 0.760 129 E CB 2.210 31.910 29.700 0.001 0.000 1.206 129 E HN 0.369 8.729 8.360 -0.000 0.000 0.419 130 V N 4.164 124.068 119.914 -0.015 0.000 2.389 130 V HA 0.176 4.296 4.120 0.001 0.000 0.264 130 V C 0.083 176.168 176.094 -0.015 0.000 1.049 130 V CA -0.218 62.070 62.300 -0.020 0.000 0.932 130 V CB 0.227 32.034 31.823 -0.027 0.000 1.011 130 V HN 0.461 8.651 8.190 -0.000 0.000 0.475 131 K N 5.497 125.888 120.400 -0.015 0.000 2.208 131 K HA 0.549 4.870 4.320 0.001 0.000 0.247 131 K C -2.666 173.924 176.600 -0.016 0.000 0.953 131 K CA -2.464 53.818 56.287 -0.009 0.000 0.837 131 K CB 1.756 34.253 32.500 -0.005 0.000 1.131 131 K HN 0.234 8.484 8.250 -0.000 0.000 0.431 132 P HA 0.004 4.424 4.420 -0.000 0.000 0.266 132 P C 0.703 177.991 177.300 -0.020 0.000 1.193 132 P CA 0.949 64.038 63.100 -0.019 0.000 0.770 132 P CB 0.424 32.118 31.700 -0.011 0.000 0.836 133 G N 1.390 110.174 108.800 -0.027 0.000 2.258 133 G HA2 -0.280 3.681 3.960 0.001 0.000 0.233 133 G HA3 -0.280 3.681 3.960 0.001 0.000 0.233 133 G C 0.332 175.216 174.900 -0.026 0.000 1.006 133 G CA -0.216 44.870 45.100 -0.023 0.000 0.620 133 G HN 0.489 8.779 8.290 -0.000 0.000 0.511 134 M N 1.851 121.434 119.600 -0.029 0.000 2.248 134 M HA 0.320 4.801 4.480 0.001 0.000 0.345 134 M C 0.422 176.700 176.300 -0.037 0.000 1.243 134 M CA 0.614 55.896 55.300 -0.030 0.000 1.090 134 M CB 0.378 32.959 32.600 -0.032 0.000 1.683 134 M HN 0.130 8.420 8.290 -0.000 0.000 0.450 135 M N 3.223 122.806 119.600 -0.029 0.000 2.113 135 M HA 0.312 4.793 4.480 0.001 0.000 0.352 135 M C -0.736 175.546 176.300 -0.030 0.000 1.170 135 M CA -0.220 55.063 55.300 -0.029 0.000 1.053 135 M CB 0.494 33.084 32.600 -0.016 0.000 1.601 135 M HN 0.756 9.046 8.290 -0.000 0.000 0.459 136 c N 0.954 119.530 118.600 -0.040 0.000 3.119 136 c HA 0.920 5.491 4.570 0.001 0.000 0.359 136 c C 0.290 174.365 174.090 -0.026 0.000 1.486 136 c CA -0.622 55.684 56.329 -0.039 0.000 1.556 136 c CB 2.063 44.536 42.510 -0.062 0.000 2.063 136 c HN 0.940 9.170 8.230 -0.000 0.000 0.454 137 S N -0.661 115.029 115.700 -0.016 0.000 2.618 137 S HA 0.858 5.329 4.470 0.001 0.000 0.277 137 S C -1.390 173.217 174.600 0.011 0.000 1.138 137 S CA -0.583 57.615 58.200 -0.002 0.000 0.844 137 S CB 1.482 64.687 63.200 0.009 0.000 1.127 137 S HN 1.506 9.816 8.310 -0.000 0.000 0.474 138 V N -0.117 119.806 119.914 0.015 0.000 2.971 138 V HA 0.931 5.052 4.120 0.001 0.000 0.309 138 V C -0.930 175.151 176.094 -0.022 0.000 1.130 138 V CA -0.076 62.244 62.300 0.034 0.000 0.964 138 V CB 1.619 33.512 31.823 0.117 0.000 1.029 138 V HN 1.773 9.963 8.190 -0.000 0.000 0.427 139 A N 3.356 126.153 122.820 -0.039 0.000 2.469 139 A HA 1.091 5.411 4.320 0.001 0.000 0.299 139 A C -0.102 177.388 177.584 -0.156 0.000 1.098 139 A CA -0.102 51.853 52.037 -0.138 0.000 0.737 139 A CB 1.962 20.855 19.000 -0.178 0.000 1.312 139 A HN 2.308 10.458 8.150 -0.000 0.000 0.414 140 G N -1.067 107.558 108.800 -0.292 0.000 2.368 140 G HA2 0.436 4.397 3.960 0.001 0.000 0.293 140 G HA3 0.436 4.397 3.960 0.001 0.000 0.293 140 G C -1.056 173.675 174.900 -0.283 0.000 1.467 140 G CA -0.515 44.460 45.100 -0.207 0.000 0.804 140 G HN 0.716 9.006 8.290 -0.000 0.000 0.535 141 W N 1.317 122.690 121.300 0.120 0.000 2.862 141 W HA 0.409 5.069 4.660 -0.000 0.000 0.426 141 W C 0.907 177.497 176.519 0.118 0.000 0.950 141 W CA -0.248 57.155 57.345 0.097 0.000 2.150 141 W CB 1.035 30.578 29.460 0.139 0.000 1.161 141 W HN 0.792 8.972 8.180 -0.000 0.000 0.696 142 G N 1.072 110.024 108.800 0.253 0.000 2.588 142 G HA2 0.317 4.278 3.960 0.001 0.000 0.281 142 G HA3 0.317 4.278 3.960 0.001 0.000 0.281 142 G C 0.215 175.222 174.900 0.179 0.000 1.236 142 G CA -0.717 44.504 45.100 0.202 0.000 0.969 142 G HN -0.020 8.270 8.290 -0.000 0.000 0.504 143 R N -0.987 119.622 120.500 0.182 0.000 2.697 143 R HA 0.028 4.368 4.340 0.001 0.000 0.265 143 R C 1.022 177.467 176.300 0.241 0.000 1.009 143 R CA -0.096 56.136 56.100 0.220 0.000 1.099 143 R CB 0.470 30.942 30.300 0.286 0.000 0.965 143 R HN 0.345 8.615 8.270 -0.000 0.000 0.428 144 L N 1.221 122.541 121.223 0.161 0.000 2.591 144 L HA 0.172 4.513 4.340 0.001 0.000 0.228 144 L C 1.027 177.931 176.870 0.056 0.000 1.133 144 L CA 0.242 55.139 54.840 0.095 0.000 0.880 144 L CB 0.080 42.173 42.059 0.057 0.000 1.033 144 L HN 0.922 9.152 8.230 -0.000 0.000 0.450 145 G N -1.300 107.561 108.800 0.103 0.000 2.315 145 G HA2 0.192 4.153 3.960 0.001 0.000 0.294 145 G HA3 0.192 4.153 3.960 0.001 0.000 0.294 145 G C -1.341 173.601 174.900 0.070 0.000 1.300 145 G CA -0.848 44.211 45.100 -0.068 0.000 0.843 145 G HN -0.351 7.939 8.290 -0.000 0.000 0.527 146 V N 2.130 122.007 119.914 -0.061 0.000 2.540 146 V HA 0.133 4.254 4.120 0.001 0.000 0.297 146 V C 1.038 177.217 176.094 0.142 0.000 1.024 146 V CA 0.587 62.972 62.300 0.142 0.000 1.105 146 V CB 0.666 32.514 31.823 0.041 0.000 0.938 146 V HN 0.858 9.048 8.190 -0.000 0.000 0.482 147 N N 3.008 121.818 118.700 0.183 0.000 2.708 147 N HA -0.176 4.564 4.740 0.001 0.000 0.249 147 N C -0.190 175.374 175.510 0.091 0.000 1.097 147 N CA 1.023 54.139 53.050 0.111 0.000 0.710 147 N CB -0.378 38.154 38.487 0.075 0.000 1.032 147 N HN 0.607 8.987 8.380 -0.000 0.000 0.551 151 S N 0.071 115.819 115.700 0.081 0.000 2.645 151 S HA 0.634 5.105 4.470 0.001 0.000 0.266 151 S C 0.592 175.250 174.600 0.097 0.000 1.258 151 S CA 0.246 58.512 58.200 0.109 0.000 0.990 151 S CB 0.725 64.001 63.200 0.127 0.000 0.967 151 S HN 0.831 9.141 8.310 -0.000 0.000 0.556 152 T N -1.381 113.246 114.554 0.122 0.000 2.862 152 T HA 0.438 4.789 4.350 0.001 0.000 0.276 152 T C 0.245 175.019 174.700 0.123 0.000 0.974 152 T CA -0.125 62.034 62.100 0.097 0.000 0.966 152 T CB 0.760 69.667 68.868 0.064 0.000 1.072 152 T HN 0.740 8.980 8.240 -0.000 0.000 0.538 153 D N -1.053 119.392 120.400 0.074 0.000 2.422 153 D HA 0.128 4.769 4.640 0.001 0.000 0.218 153 D C 0.185 176.529 176.300 0.072 0.000 1.047 153 D CA 0.264 54.281 54.000 0.028 0.000 0.885 153 D CB 0.091 40.878 40.800 -0.021 0.000 1.035 153 D HN 0.523 8.893 8.370 -0.000 0.000 0.502 154 K N 0.284 120.694 120.400 0.016 0.000 2.207 154 K HA 0.378 4.698 4.320 0.001 0.000 0.255 154 K C -0.767 175.646 176.600 -0.311 0.000 0.941 154 K CA -1.263 54.898 56.287 -0.210 0.000 0.825 154 K CB 2.559 34.859 32.500 -0.333 0.000 1.119 154 K HN -0.091 8.159 8.250 -0.000 0.000 0.430 155 L N 3.348 124.222 121.223 -0.582 0.000 2.628 155 L HA -0.083 4.258 4.340 0.001 0.000 0.274 155 L C -0.378 176.221 176.870 -0.452 0.000 1.209 155 L CA 1.122 55.469 54.840 -0.821 0.000 0.930 155 L CB 0.034 41.688 42.059 -0.676 0.000 1.183 155 L HN 0.449 8.679 8.230 -0.000 0.000 0.492 156 Q N 4.983 124.520 119.800 -0.439 0.000 2.226 156 Q HA 0.504 4.844 4.340 0.001 0.000 0.256 156 Q C -0.686 175.131 176.000 -0.304 0.000 0.962 156 Q CA -0.509 55.123 55.803 -0.284 0.000 0.887 156 Q CB 2.095 30.717 28.738 -0.194 0.000 1.282 156 Q HN 0.781 9.051 8.270 -0.000 0.000 0.449 157 E N -0.933 119.053 120.200 -0.357 0.000 2.429 157 E HA 0.799 5.150 4.350 0.001 0.000 0.276 157 E C -1.334 175.034 176.600 -0.387 0.000 0.953 157 E CA -1.005 55.201 56.400 -0.324 0.000 0.787 157 E CB 2.260 31.795 29.700 -0.276 0.000 1.307 157 E HN 0.212 8.572 8.360 -0.000 0.000 0.458 158 V N 0.652 120.448 119.914 -0.197 0.000 3.147 158 V HA 0.288 4.409 4.120 0.001 0.000 0.299 158 V C -1.930 174.144 176.094 -0.032 0.000 1.302 158 V CA -0.747 61.485 62.300 -0.113 0.000 1.015 158 V CB 2.328 34.111 31.823 -0.066 0.000 1.086 158 V HN 0.829 9.019 8.190 -0.000 0.000 0.437 159 D N 4.594 124.998 120.400 0.006 0.000 2.198 159 D HA 0.608 5.248 4.640 0.001 0.000 0.245 159 D C -0.620 175.676 176.300 -0.007 0.000 1.079 159 D CA 0.173 54.178 54.000 0.008 0.000 0.854 159 D CB 1.907 42.722 40.800 0.027 0.000 1.148 159 D HN 0.419 8.789 8.370 -0.000 0.000 0.456 160 L N 1.128 122.335 121.223 -0.026 0.000 2.370 160 L HA 0.372 4.712 4.340 0.001 0.000 0.266 160 L C 0.167 176.997 176.870 -0.066 0.000 1.002 160 L CA -0.860 53.951 54.840 -0.049 0.000 0.818 160 L CB 2.599 44.612 42.059 -0.077 0.000 1.325 160 L HN 0.249 8.479 8.230 -0.000 0.000 0.418 161 E N 1.321 121.481 120.200 -0.068 0.000 2.175 161 E HA 0.387 4.738 4.350 0.001 0.000 0.278 161 E C -1.131 175.413 176.600 -0.093 0.000 0.969 161 E CA -0.738 55.622 56.400 -0.066 0.000 0.796 161 E CB 1.848 31.521 29.700 -0.046 0.000 1.104 161 E HN 0.301 8.661 8.360 -0.000 0.000 0.395 162 V N 4.661 124.519 119.914 -0.094 0.000 2.655 162 V HA 0.008 4.129 4.120 0.001 0.000 0.300 162 V C 0.351 176.400 176.094 -0.075 0.000 1.044 162 V CA 0.010 62.247 62.300 -0.105 0.000 1.095 162 V CB 1.071 32.843 31.823 -0.084 0.000 0.952 162 V HN 0.710 8.900 8.190 -0.000 0.000 0.485 163 Q N 1.968 121.721 119.800 -0.079 0.000 2.297 163 Q HA 0.475 4.816 4.340 0.001 0.000 0.268 163 Q C -0.124 175.852 176.000 -0.040 0.000 1.045 163 Q CA -0.555 55.214 55.803 -0.058 0.000 0.861 163 Q CB 1.958 30.655 28.738 -0.068 0.000 1.344 163 Q HN 0.866 9.136 8.270 -0.000 0.000 0.452 164 S N -0.501 115.183 115.700 -0.027 0.000 2.576 164 S HA 0.026 4.497 4.470 0.001 0.000 0.276 164 S C 1.117 175.709 174.600 -0.013 0.000 1.339 164 S CA -0.308 57.888 58.200 -0.005 0.000 1.039 164 S CB 0.638 63.837 63.200 -0.000 0.000 0.902 164 S HN 0.668 8.978 8.310 -0.000 0.000 0.516 165 E N 1.595 121.816 120.200 0.035 0.000 2.187 165 E HA -0.332 4.018 4.350 0.001 0.000 0.199 165 E C 1.610 178.198 176.600 -0.020 0.000 1.004 165 E CA 1.548 57.984 56.400 0.060 0.000 0.813 165 E CB -0.430 29.403 29.700 0.221 0.000 0.736 165 E HN 0.879 9.239 8.360 -0.000 0.000 0.468 166 E N 2.194 122.396 120.200 0.003 0.000 2.204 166 E HA -0.221 4.130 4.350 0.001 0.000 0.195 166 E C 1.638 178.214 176.600 -0.041 0.000 0.990 166 E CA 1.002 57.401 56.400 -0.003 0.000 0.821 166 E CB -0.189 29.515 29.700 0.008 0.000 0.750 166 E HN 0.254 8.614 8.360 -0.000 0.000 0.477 167 K N 0.391 120.752 120.400 -0.066 0.000 2.097 167 K HA -0.069 4.251 4.320 0.001 0.000 0.206 167 K C 2.269 178.817 176.600 -0.087 0.000 1.049 167 K CA 1.351 57.596 56.287 -0.069 0.000 0.933 167 K CB -0.496 31.965 32.500 -0.065 0.000 0.717 167 K HN 0.260 8.510 8.250 -0.000 0.000 0.442 168 c N 0.482 118.964 118.600 -0.198 0.000 2.504 168 c HA 0.161 4.731 4.570 0.001 0.000 0.279 168 c C 2.683 176.724 174.090 -0.081 0.000 1.358 168 c CA -0.286 55.921 56.329 -0.204 0.000 1.747 168 c CB -0.548 41.411 42.510 -0.919 0.000 2.037 168 c HN 0.351 8.581 8.230 -0.000 0.000 0.503 169 I N 1.684 122.191 120.570 -0.105 0.000 2.335 169 I HA -0.202 3.969 4.170 0.001 0.000 0.251 169 I C 2.572 178.731 176.117 0.070 0.000 1.129 169 I CA 1.690 63.048 61.300 0.097 0.000 1.402 169 I CB -0.391 37.684 38.000 0.126 0.000 1.069 169 I HN 0.288 8.498 8.210 -0.000 0.000 0.424 170 A N 0.368 123.192 122.820 0.007 0.000 2.169 170 A HA 0.009 4.330 4.320 0.001 0.000 0.212 170 A C 2.263 179.805 177.584 -0.071 0.000 1.153 170 A CA 0.674 52.700 52.037 -0.018 0.000 0.756 170 A CB -0.212 18.770 19.000 -0.030 0.000 0.813 170 A HN 0.347 8.497 8.150 -0.000 0.000 0.471 171 R N -2.272 118.151 120.500 -0.129 0.000 2.287 171 R HA 0.280 4.621 4.340 0.001 0.000 0.197 171 R C -0.888 175.089 176.300 -0.538 0.000 0.900 171 R CA 0.135 56.005 56.100 -0.382 0.000 1.052 171 R CB 0.391 30.334 30.300 -0.595 0.000 1.117 171 R HN 0.431 8.701 8.270 -0.000 0.000 0.568 172 F N 1.811 121.799 119.950 0.064 0.000 2.467 172 F HA 0.260 4.788 4.527 0.001 0.000 0.336 172 F C 1.300 177.192 175.800 0.152 0.000 1.123 172 F CA -1.179 56.907 58.000 0.144 0.000 0.964 172 F CB 1.662 40.798 39.000 0.228 0.000 1.136 172 F HN -0.175 8.125 8.300 -0.000 0.000 0.447 173 K N 0.770 121.335 120.400 0.275 0.000 2.103 173 K HA -0.114 4.207 4.320 0.001 0.000 0.207 173 K C -0.069 176.657 176.600 0.211 0.000 1.048 173 K CA 1.577 57.978 56.287 0.189 0.000 0.930 173 K CB -0.026 32.550 32.500 0.125 0.000 0.716 173 K HN 0.438 8.688 8.250 -0.000 0.000 0.444 174 N N 0.469 119.329 118.700 0.268 0.000 2.761 174 N HA 0.045 4.786 4.740 0.001 0.000 0.317 174 N C -1.602 174.071 175.510 0.273 0.000 1.546 174 N CA -0.309 52.871 53.050 0.217 0.000 1.015 174 N CB 0.305 38.878 38.487 0.143 0.000 1.343 174 N HN 0.238 8.618 8.380 -0.000 0.000 0.504 175 Y N 0.951 121.359 120.300 0.180 0.000 2.327 175 Y HA 0.405 4.955 4.550 0.001 0.000 0.336 175 Y C -0.111 175.853 175.900 0.108 0.000 1.035 175 Y CA -0.494 57.690 58.100 0.140 0.000 1.165 175 Y CB 0.679 39.233 38.460 0.156 0.000 1.181 175 Y HN 0.069 8.349 8.280 -0.000 0.000 0.494 176 I N 9.852 130.086 120.570 -0.560 0.000 2.428 176 I HA 0.230 4.401 4.170 0.001 0.000 0.279 176 I C -1.950 173.824 176.117 -0.572 0.000 1.040 176 I CA -2.072 59.010 61.300 -0.363 0.000 1.171 176 I CB 1.435 39.352 38.000 -0.138 0.000 1.312 176 I HN 0.576 8.786 8.210 -0.000 0.000 0.470 177 P HA -0.254 4.167 4.420 -0.000 0.000 0.216 177 P C 1.584 178.838 177.300 -0.077 0.000 1.154 177 P CA 1.529 64.522 63.100 -0.178 0.000 0.865 177 P CB 0.122 31.868 31.700 0.077 0.000 0.789 178 F N -0.577 119.289 119.950 -0.140 0.000 2.171 178 F HA -0.124 4.404 4.527 0.002 0.000 0.300 178 F C 1.836 177.559 175.800 -0.127 0.000 1.090 178 F CA 1.619 59.552 58.000 -0.112 0.000 1.293 178 F CB -0.695 38.239 39.000 -0.110 0.000 1.013 178 F HN -0.135 8.165 8.300 -0.000 0.000 0.486 179 T N -0.143 114.275 114.554 -0.227 0.000 3.022 179 T HA 0.158 4.508 4.350 0.001 0.000 0.250 179 T C 0.162 174.814 174.700 -0.081 0.000 1.060 179 T CA 0.019 61.991 62.100 -0.214 0.000 1.013 179 T CB 0.143 68.992 68.868 -0.031 0.000 0.982 179 T HN 0.197 8.437 8.240 -0.000 0.000 0.508 180 Q N 0.212 119.913 119.800 -0.166 0.000 2.433 180 Q HA 0.646 4.987 4.340 0.001 0.000 0.279 180 Q C -1.208 174.807 176.000 0.024 0.000 1.105 180 Q CA -0.725 55.026 55.803 -0.086 0.000 0.815 180 Q CB 2.718 31.334 28.738 -0.203 0.000 1.403 180 Q HN 0.258 8.528 8.270 -0.000 0.000 0.435 181 I N 0.317 120.969 120.570 0.136 0.000 2.562 181 I HA 0.363 4.534 4.170 0.001 0.000 0.301 181 I C -0.753 175.450 176.117 0.143 0.000 1.003 181 I CA -0.946 60.431 61.300 0.127 0.000 1.127 181 I CB 1.730 39.751 38.000 0.035 0.000 1.304 181 I HN 0.552 8.762 8.210 -0.000 0.000 0.446 182 c N 5.715 124.349 118.600 0.057 0.000 2.251 182 c HA 0.792 5.363 4.570 0.001 0.000 0.323 182 c C 0.350 174.341 174.090 -0.166 0.000 1.241 182 c CA -0.232 56.042 56.329 -0.092 0.000 1.601 182 c CB -0.449 41.953 42.510 -0.179 0.000 2.251 182 c HN 0.813 9.043 8.230 -0.000 0.000 0.488 183 A N 7.747 130.410 122.820 -0.261 0.000 2.893 183 A HA 0.691 5.012 4.320 0.001 0.000 0.333 183 A C -2.708 174.757 177.584 -0.197 0.000 1.152 183 A CA -0.707 51.138 52.037 -0.319 0.000 0.782 183 A CB 0.576 19.181 19.000 -0.659 0.000 1.108 183 A HN 0.683 8.833 8.150 -0.000 0.000 0.469 184 P HA 0.048 4.468 4.420 -0.000 0.000 0.427 184 P C 1.184 178.474 177.300 -0.016 0.000 1.088 184 P CA 0.590 63.681 63.100 -0.015 0.000 1.694 184 P CB 0.772 32.460 31.700 -0.020 0.000 1.305 185 S N -0.867 114.823 115.700 -0.017 0.000 2.650 185 S HA 0.187 4.658 4.470 0.001 0.000 0.219 185 S C 0.578 175.169 174.600 -0.015 0.000 0.960 185 S CA 0.196 58.386 58.200 -0.016 0.000 0.925 185 S CB -0.740 62.451 63.200 -0.015 0.000 0.775 185 S HN -0.027 8.283 8.310 -0.000 0.000 0.525 186 K N 0.754 121.145 120.400 -0.015 0.000 2.324 186 K HA 0.426 4.747 4.320 0.001 0.000 0.253 186 K C -0.635 175.955 176.600 -0.016 0.000 0.932 186 K CA -0.778 55.501 56.287 -0.014 0.000 0.799 186 K CB 1.321 33.815 32.500 -0.012 0.000 1.154 186 K HN -0.114 8.136 8.250 -0.000 0.000 0.425 187 R N 1.815 122.304 120.500 -0.019 0.000 3.907 187 R HA 0.066 4.407 4.340 0.001 0.000 0.241 187 R C -0.500 175.785 176.300 -0.025 0.000 1.784 187 R CA 0.279 56.361 56.100 -0.029 0.000 1.509 187 R CB -0.211 30.070 30.300 -0.033 0.000 1.275 187 R HN 0.239 8.509 8.270 -0.000 0.000 0.642 188 K N 0.395 120.786 120.400 -0.014 0.000 2.323 188 K HA 0.371 4.692 4.320 0.001 0.000 0.259 188 K C -0.825 175.778 176.600 0.006 0.000 0.947 188 K CA -0.861 55.423 56.287 -0.006 0.000 0.819 188 K CB 1.486 33.986 32.500 -0.000 0.000 1.109 188 K HN -0.009 8.241 8.250 -0.000 0.000 0.429 189 N N 0.133 118.844 118.700 0.019 0.000 3.348 189 N HA 0.085 4.825 4.740 0.001 0.000 0.233 189 N C -1.672 173.900 175.510 0.103 0.000 1.440 189 N CA -0.468 52.620 53.050 0.064 0.000 0.887 189 N CB 1.295 39.816 38.487 0.057 0.000 1.410 189 N HN 0.466 8.846 8.380 -0.000 0.000 0.502 190 S N 0.063 115.867 115.700 0.174 0.000 2.646 190 S HA 0.808 5.279 4.470 0.001 0.000 0.276 190 S C -0.626 174.161 174.600 0.311 0.000 1.222 190 S CA -0.320 57.996 58.200 0.194 0.000 1.014 190 S CB 1.195 64.497 63.200 0.170 0.000 0.991 190 S HN 0.448 8.758 8.310 -0.000 0.000 0.533 191 F N 0.067 120.058 119.950 0.068 0.000 3.049 191 F HA 0.565 5.092 4.527 0.001 0.000 0.329 191 F C -0.355 175.499 175.800 0.090 0.000 1.208 191 F CA -1.344 56.703 58.000 0.078 0.000 0.956 191 F CB 0.878 39.919 39.000 0.068 0.000 1.469 191 F HN 0.654 8.954 8.300 -0.000 0.000 0.516 192 S N 0.976 116.313 115.700 -0.604 0.000 2.563 192 S HA 0.378 4.849 4.470 0.001 0.000 0.294 192 S C 0.791 175.354 174.600 -0.063 0.000 1.279 192 S CA 1.117 59.090 58.200 -0.378 0.000 1.069 192 S CB -0.147 62.714 63.200 -0.564 0.000 0.828 192 S HN 1.452 9.762 8.310 -0.000 0.000 0.497 193 G N 2.877 111.693 108.800 0.027 0.000 2.234 193 G HA2 -0.222 3.739 3.960 0.001 0.000 0.235 193 G HA3 -0.222 3.739 3.960 0.001 0.000 0.235 193 G C 0.434 175.427 174.900 0.156 0.000 0.997 193 G CA 0.245 45.410 45.100 0.108 0.000 0.623 193 G HN 0.656 8.946 8.290 -0.000 0.000 0.514 194 D N 0.992 121.469 120.400 0.128 0.000 2.333 194 D HA 0.182 4.823 4.640 0.001 0.000 0.208 194 D C 1.366 177.717 176.300 0.084 0.000 0.984 194 D CA 0.703 54.776 54.000 0.123 0.000 0.873 194 D CB 0.111 40.974 40.800 0.106 0.000 0.935 194 D HN 0.373 8.743 8.370 -0.000 0.000 0.521 195 S N -0.482 115.268 115.700 0.084 0.000 2.558 195 S HA 0.284 4.754 4.470 0.001 0.000 0.291 195 S C 1.576 176.173 174.600 -0.005 0.000 1.306 195 S CA 0.841 59.072 58.200 0.052 0.000 1.056 195 S CB 1.017 64.333 63.200 0.193 0.000 0.836 195 S HN 0.481 8.791 8.310 -0.000 0.000 0.504 196 G N 1.970 110.741 108.800 -0.047 0.000 2.268 196 G HA2 -0.189 3.771 3.960 0.001 0.000 0.240 196 G HA3 -0.189 3.771 3.960 0.001 0.000 0.240 196 G C 0.464 175.465 174.900 0.169 0.000 1.010 196 G CA -0.041 45.059 45.100 0.001 0.000 0.618 196 G HN 1.156 9.446 8.290 -0.000 0.000 0.516 197 G N 1.396 110.272 108.800 0.126 0.000 2.664 197 G HA2 0.514 4.475 3.960 0.001 0.000 0.242 197 G HA3 0.514 4.475 3.960 0.001 0.000 0.242 197 G C -1.877 173.030 174.900 0.010 0.000 1.225 197 G CA 0.113 45.302 45.100 0.148 0.000 0.849 197 G HN 0.451 8.741 8.290 -0.000 0.000 0.581 198 P HA 0.295 4.715 4.420 -0.000 0.000 0.290 198 P C -0.925 176.255 177.300 -0.200 0.000 1.275 198 P CA -0.751 62.015 63.100 -0.557 0.000 0.841 198 P CB 2.043 32.997 31.700 -1.244 0.000 1.042 199 L N 3.991 125.149 121.223 -0.109 0.000 2.255 199 L HA 0.305 4.646 4.340 0.001 0.000 0.289 199 L C -0.836 175.974 176.870 -0.100 0.000 1.046 199 L CA -0.441 54.415 54.840 0.027 0.000 0.816 199 L CB 0.618 42.766 42.059 0.148 0.000 1.197 199 L HN 0.051 8.281 8.230 -0.000 0.000 0.427 200 V N 4.745 124.603 119.914 -0.093 0.000 2.394 200 V HA 0.401 4.521 4.120 0.001 0.000 0.282 200 V C -0.391 175.662 176.094 -0.068 0.000 1.031 200 V CA -0.415 61.815 62.300 -0.117 0.000 0.881 200 V CB 1.122 32.882 31.823 -0.105 0.000 0.982 200 V HN 0.891 9.081 8.190 -0.000 0.000 0.451 201 c N 5.217 123.775 118.600 -0.069 0.000 2.381 201 c HA 0.558 5.129 4.570 0.001 0.000 0.328 201 c C 0.421 174.489 174.090 -0.037 0.000 1.190 201 c CA -1.147 55.155 56.329 -0.045 0.000 1.369 201 c CB -0.569 41.914 42.510 -0.045 0.000 2.029 201 c HN 1.155 9.385 8.230 -0.000 0.000 0.448 208 V N 1.239 121.099 119.914 -0.090 0.000 2.604 208 V HA 0.793 4.914 4.120 0.001 0.000 0.305 208 V C 0.435 176.441 176.094 -0.146 0.000 1.043 208 V CA -0.644 61.596 62.300 -0.100 0.000 0.888 208 V CB 1.792 33.588 31.823 -0.046 0.000 0.995 208 V HN 0.529 8.719 8.190 -0.000 0.000 0.429 209 A N 3.175 125.889 122.820 -0.177 0.000 2.410 209 A HA 0.369 4.689 4.320 0.001 0.000 0.292 209 A C 0.755 178.283 177.584 -0.093 0.000 1.232 209 A CA -0.133 51.765 52.037 -0.232 0.000 0.893 209 A CB 0.188 19.015 19.000 -0.288 0.000 1.131 209 A HN 0.824 8.974 8.150 -0.000 0.000 0.530 210 Q N 1.716 121.465 119.800 -0.084 0.000 2.378 210 Q HA 0.192 4.532 4.340 0.001 0.000 0.216 210 Q C 0.801 176.809 176.000 0.015 0.000 0.892 210 Q CA 1.014 56.802 55.803 -0.024 0.000 0.931 210 Q CB 1.077 29.796 28.738 -0.032 0.000 1.086 210 Q HN 0.877 9.147 8.270 -0.000 0.000 0.528 211 G N 0.092 108.900 108.800 0.014 0.000 2.682 211 G HA2 0.655 4.615 3.960 0.001 0.000 0.290 211 G HA3 0.655 4.615 3.960 0.001 0.000 0.290 211 G C -1.523 173.432 174.900 0.091 0.000 1.425 211 G CA -0.648 44.513 45.100 0.102 0.000 0.807 211 G HN 0.019 8.309 8.290 -0.000 0.000 0.482 212 I N 0.698 121.340 120.570 0.119 0.000 2.478 212 I HA 0.271 4.442 4.170 0.001 0.000 0.287 212 I C -0.024 175.977 176.117 -0.194 0.000 1.042 212 I CA -1.020 60.301 61.300 0.035 0.000 1.067 212 I CB 2.257 40.312 38.000 0.091 0.000 1.233 212 I HN 0.171 8.381 8.210 -0.000 0.000 0.431 213 V N 5.065 124.732 119.914 -0.412 0.000 2.557 213 V HA -0.040 4.081 4.120 0.001 0.000 0.301 213 V C 0.857 176.749 176.094 -0.337 0.000 1.026 213 V CA 0.811 62.618 62.300 -0.821 0.000 1.137 213 V CB 0.869 32.399 31.823 -0.487 0.000 0.917 213 V HN 0.981 9.171 8.190 -0.000 0.000 0.484 214 S N 3.857 119.384 115.700 -0.289 0.000 3.200 214 S HA 0.369 4.839 4.470 0.001 0.000 0.209 214 S C -0.204 174.522 174.600 0.210 0.000 0.869 214 S CA 0.337 58.596 58.200 0.098 0.000 0.820 214 S CB 0.461 63.750 63.200 0.147 0.000 0.834 214 S HN 0.839 9.149 8.310 -0.000 0.000 0.622 215 Y N -1.215 119.053 120.300 -0.054 0.000 2.670 215 Y HA 0.811 5.361 4.550 0.001 0.000 0.334 215 Y C -0.331 175.580 175.900 0.018 0.000 1.185 215 Y CA -0.743 57.339 58.100 -0.029 0.000 1.053 215 Y CB 0.701 39.124 38.460 -0.060 0.000 1.298 215 Y HN 0.375 8.655 8.280 -0.000 0.000 0.459 216 G N 0.758 109.707 108.800 0.247 0.000 2.788 216 G HA2 0.593 4.553 3.960 0.001 0.000 0.293 216 G HA3 0.593 4.553 3.960 0.001 0.000 0.293 216 G C -1.634 173.557 174.900 0.485 0.000 1.392 216 G CA -1.666 43.619 45.100 0.309 0.000 0.810 216 G HN 0.713 9.003 8.290 -0.000 0.000 0.508 217 R N 0.093 120.866 120.500 0.455 0.000 2.641 217 R HA 0.133 4.474 4.340 0.001 0.000 0.269 217 R C 0.961 177.436 176.300 0.292 0.000 1.074 217 R CA -0.593 55.702 56.100 0.324 0.000 1.133 217 R CB 0.535 30.931 30.300 0.161 0.000 1.029 217 R HN 0.476 8.746 8.270 -0.000 0.000 0.488 218 N N 1.781 120.621 118.700 0.233 0.000 2.430 218 N HA -0.157 4.584 4.740 0.001 0.000 0.186 218 N C 0.402 176.079 175.510 0.278 0.000 1.032 218 N CA 1.239 54.436 53.050 0.245 0.000 0.893 218 N CB -0.130 38.451 38.487 0.157 0.000 0.957 218 N HN 0.577 8.957 8.380 -0.000 0.000 0.442 219 D N -0.535 119.972 120.400 0.178 0.000 2.328 219 D HA 0.205 4.845 4.640 0.001 0.000 0.226 219 D C 1.088 177.372 176.300 -0.027 0.000 1.066 219 D CA 0.138 54.190 54.000 0.086 0.000 0.861 219 D CB -0.259 40.564 40.800 0.038 0.000 0.912 219 D HN 0.178 8.548 8.370 -0.000 0.000 0.521 224 T N 0.198 114.778 114.554 0.044 0.000 2.902 224 T HA 0.822 5.172 4.350 0.001 0.000 0.280 224 T C -2.573 172.165 174.700 0.063 0.000 0.992 224 T CA -1.595 60.544 62.100 0.065 0.000 1.015 224 T CB 1.123 70.007 68.868 0.028 0.000 1.044 224 T HN 0.736 8.976 8.240 -0.000 0.000 0.520 225 P HA 0.568 4.988 4.420 -0.000 0.000 0.280 225 P C -1.192 176.220 177.300 0.186 0.000 1.272 225 P CA -0.447 62.708 63.100 0.091 0.000 0.819 225 P CB 0.886 32.603 31.700 0.029 0.000 1.122 226 D N -1.065 119.388 120.400 0.088 0.000 2.414 226 D HA 0.445 5.086 4.640 0.001 0.000 0.241 226 D C -0.696 175.530 176.300 -0.123 0.000 1.008 226 D CA -0.554 53.470 54.000 0.039 0.000 1.001 226 D CB 1.194 42.171 40.800 0.296 0.000 1.277 226 D HN -0.055 8.315 8.370 -0.000 0.000 0.538 227 V N 1.851 121.510 119.914 -0.424 0.000 2.394 227 V HA 0.349 4.470 4.120 0.001 0.000 0.282 227 V C -0.988 175.122 176.094 0.026 0.000 1.031 227 V CA -0.460 61.629 62.300 -0.352 0.000 0.881 227 V CB 0.338 31.604 31.823 -0.928 0.000 0.982 227 V HN 0.388 8.578 8.190 -0.000 0.000 0.451 228 Y N 1.333 121.563 120.300 -0.117 0.000 2.485 228 Y HA 0.483 5.033 4.550 0.001 0.000 0.345 228 Y C 0.817 176.712 175.900 -0.008 0.000 0.998 228 Y CA -1.250 56.822 58.100 -0.046 0.000 1.059 228 Y CB 1.924 40.366 38.460 -0.031 0.000 1.234 228 Y HN 0.540 8.820 8.280 -0.000 0.000 0.461 229 T N 3.345 117.975 114.554 0.127 0.000 2.834 229 T HA 0.172 4.523 4.350 0.001 0.000 0.298 229 T C 0.254 175.030 174.700 0.126 0.000 0.966 229 T CA -0.477 61.676 62.100 0.090 0.000 1.141 229 T CB 0.061 68.917 68.868 -0.020 0.000 0.905 229 T HN 0.379 8.619 8.240 -0.000 0.000 0.535 230 R N 3.953 124.533 120.500 0.134 0.000 2.248 230 R HA 0.231 4.572 4.340 0.001 0.000 0.337 230 R C 1.171 177.571 176.300 0.167 0.000 1.085 230 R CA -0.310 55.840 56.100 0.082 0.000 0.934 230 R CB -0.130 30.141 30.300 -0.048 0.000 1.034 230 R HN 0.705 8.975 8.270 -0.000 0.000 0.465 231 I N 2.280 122.936 120.570 0.144 0.000 2.286 231 I HA -0.312 3.858 4.170 0.001 0.000 0.248 231 I C 2.145 178.350 176.117 0.146 0.000 1.115 231 I CA 1.470 62.883 61.300 0.188 0.000 1.392 231 I CB -0.258 37.824 38.000 0.136 0.000 1.065 231 I HN 0.678 8.888 8.210 -0.000 0.000 0.418 232 S N -0.228 115.496 115.700 0.041 0.000 2.440 232 S HA -0.155 4.316 4.470 0.001 0.000 0.238 232 S C 1.870 176.419 174.600 -0.084 0.000 1.010 232 S CA 1.497 59.689 58.200 -0.014 0.000 0.972 232 S CB -0.485 62.688 63.200 -0.046 0.000 0.774 232 S HN 0.350 8.660 8.310 -0.000 0.000 0.501 233 S N 0.310 115.894 115.700 -0.195 0.000 2.558 233 S HA 0.339 4.810 4.470 0.001 0.000 0.217 233 S C 0.328 174.621 174.600 -0.512 0.000 0.975 233 S CA 0.118 58.025 58.200 -0.488 0.000 0.912 233 S CB -0.259 62.376 63.200 -0.941 0.000 0.776 233 S HN 0.656 8.966 8.310 -0.000 0.000 0.526 234 F N 0.060 120.007 119.950 -0.004 0.000 2.729 234 F HA 0.430 4.957 4.527 0.001 0.000 0.315 234 F C 1.252 177.129 175.800 0.128 0.000 1.102 234 F CA -0.354 57.716 58.000 0.117 0.000 1.204 234 F CB -0.263 38.826 39.000 0.148 0.000 1.052 234 F HN 0.036 8.336 8.300 -0.000 0.000 0.551 235 L N -0.663 120.644 121.223 0.139 0.000 2.043 235 L HA -0.290 4.050 4.340 0.001 0.000 0.212 235 L C 2.699 179.539 176.870 -0.050 0.000 1.075 235 L CA 1.726 56.535 54.840 -0.052 0.000 0.752 235 L CB -0.617 41.446 42.059 0.008 0.000 0.891 235 L HN 0.246 8.476 8.230 -0.000 0.000 0.432 236 S N -0.965 114.810 115.700 0.124 0.000 2.368 236 S HA -0.254 4.217 4.470 0.001 0.000 0.225 236 S C 1.664 176.371 174.600 0.178 0.000 1.030 236 S CA 1.406 59.706 58.200 0.166 0.000 0.999 236 S CB -0.365 62.930 63.200 0.158 0.000 0.844 236 S HN 0.568 8.878 8.310 -0.000 0.000 0.459 237 W N 1.704 123.049 121.300 0.075 0.000 2.409 237 W HA 0.092 4.753 4.660 0.002 0.000 0.299 237 W C 1.669 178.184 176.519 -0.006 0.000 1.203 237 W CA 0.926 58.321 57.345 0.083 0.000 1.298 237 W CB -0.494 29.107 29.460 0.235 0.000 1.127 237 W HN 0.275 8.455 8.180 -0.000 0.000 0.528 238 I N 0.058 120.519 120.570 -0.182 0.000 2.142 238 I HA -0.386 3.785 4.170 0.001 0.000 0.240 238 I C 2.585 178.412 176.117 -0.484 0.000 1.078 238 I CA 1.606 62.596 61.300 -0.517 0.000 1.343 238 I CB -0.882 36.899 38.000 -0.366 0.000 1.046 238 I HN 0.011 8.221 8.210 -0.000 0.000 0.405 239 H N -0.469 118.482 119.070 -0.199 0.000 2.387 239 H HA -0.119 4.437 4.556 0.001 0.000 0.299 239 H C 2.541 177.749 175.328 -0.200 0.000 1.090 239 H CA 1.620 57.562 56.048 -0.176 0.000 1.332 239 H CB -0.432 29.281 29.762 -0.081 0.000 1.386 239 H HN 0.269 8.549 8.280 -0.000 0.000 0.516 240 S N -0.040 115.612 115.700 -0.080 0.000 2.368 240 S HA -0.127 4.344 4.470 0.001 0.000 0.224 240 S C 2.133 176.605 174.600 -0.214 0.000 1.029 240 S CA 1.708 59.846 58.200 -0.103 0.000 0.988 240 S CB -0.246 62.924 63.200 -0.050 0.000 0.838 240 S HN 0.437 8.747 8.310 -0.000 0.000 0.462 241 T N 2.108 116.404 114.554 -0.430 0.000 2.821 241 T HA 0.071 4.422 4.350 0.001 0.000 0.267 241 T C 1.393 175.830 174.700 -0.439 0.000 1.046 241 T CA 1.196 63.000 62.100 -0.493 0.000 1.139 241 T CB -0.282 68.055 68.868 -0.885 0.000 0.871 241 T HN 0.415 8.655 8.240 -0.000 0.000 0.454 242 M N 1.035 120.315 119.600 -0.532 0.000 2.686 242 M HA 0.240 4.721 4.480 0.001 0.000 0.216 242 M C 0.001 176.196 176.300 -0.175 0.000 1.221 242 M CA 0.158 55.147 55.300 -0.520 0.000 0.992 242 M CB -0.286 31.960 32.600 -0.591 0.000 1.739 242 M HN 0.158 8.448 8.290 -0.000 0.000 0.461 243 R N 0.000 120.427 120.500 -0.121 0.000 2.786 243 R HA 0.000 4.341 4.340 0.001 0.000 0.208 243 R CA 0.000 56.070 56.100 -0.049 0.000 0.921 243 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 243 R HN 0.000 8.270 8.270 -0.000 0.000 0.535