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 1itb_1_B DATA FIRST_RESID 6 DATA SEQUENCE cKEREEKIIL VSSANEIDVR PcPLNPNEHK GTITWYKDDS KTPVSTEQAS DATA SEQUENCE RIHQHKEKLW FVPAKVEDSG HYYcVVRNSS YcLRIKISAK FVENEPNLcY DATA SEQUENCE NAQAIFKQKL PVAGDGGLVc PYMEFFKNEN NELPKLQWYK DcKPLLLDNI DATA SEQUENCE HFSGVKDRLI VMNVAEKHRG NYTcHASYTY LGKQYPITRV IEFITLEENK DATA SEQUENCE PTRPVIVSPA NETMEVDLGS QIQLIcNVTG QLSDIAYWKW NGSVIDEDDP DATA SEQUENCE VLGEDYYSVE NPANKRRSTL ITVLNISEIE SRFYKHPFTc FAKNTHGIDA DATA SEQUENCE AYIQLIYPVT 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 6 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 6 c C 0.000 174.062 174.090 -0.046 0.000 1.270 6 c CA 0.000 56.293 56.329 -0.061 0.000 1.963 6 c CB 0.000 42.450 42.510 -0.100 0.000 2.134 7 K N 0.131 120.508 120.400 -0.038 0.000 4.485 7 K HA 0.235 4.555 4.320 -0.000 0.000 0.264 7 K C -1.614 174.969 176.600 -0.029 0.000 1.023 7 K CA -0.250 56.023 56.287 -0.024 0.000 1.902 7 K CB 1.966 34.464 32.500 -0.003 0.000 3.087 7 K HN 0.147 8.276 8.250 -0.042 0.096 0.774 8 E N -1.268 118.926 120.200 -0.010 0.000 2.396 8 E HA 0.323 4.673 4.350 -0.000 0.000 0.280 8 E C -1.922 174.689 176.600 0.019 0.000 1.065 8 E CA -0.661 55.740 56.400 0.001 0.000 0.831 8 E CB 2.922 32.627 29.700 0.009 0.000 1.272 8 E HN -0.160 8.200 8.360 -0.001 0.000 0.443 9 R N -0.470 120.051 120.500 0.035 0.000 2.698 9 R HA 0.317 4.657 4.340 -0.000 0.000 0.275 9 R C -0.393 175.943 176.300 0.059 0.000 1.001 9 R CA -0.872 55.253 56.100 0.043 0.000 0.896 9 R CB 3.065 33.389 30.300 0.039 0.000 1.218 9 R HN 0.464 8.760 8.270 0.044 0.000 0.462 10 E N 2.756 122.988 120.200 0.054 0.000 3.122 10 E HA -0.075 4.275 4.350 -0.000 0.000 0.367 10 E C -0.367 176.271 176.600 0.063 0.000 0.496 10 E CA 0.196 56.631 56.400 0.058 0.000 1.980 10 E CB 0.748 30.475 29.700 0.045 0.000 2.034 10 E HN 0.282 8.671 8.360 0.047 0.000 0.508 11 E N -2.073 118.159 120.200 0.054 0.000 3.684 11 E HA -0.066 4.284 4.350 -0.000 0.000 0.214 11 E C -0.902 175.726 176.600 0.046 0.000 1.216 11 E CA 0.161 56.594 56.400 0.056 0.000 0.930 11 E CB -0.963 28.778 29.700 0.069 0.000 1.100 11 E HN -0.076 8.312 8.360 0.048 0.000 0.422 12 K N -0.522 119.901 120.400 0.039 0.000 2.211 12 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 12 K C 0.332 176.946 176.600 0.023 0.000 1.050 12 K CA 1.055 57.360 56.287 0.030 0.000 0.945 12 K CB 0.165 32.681 32.500 0.027 0.000 0.732 12 K HN 0.013 8.287 8.250 0.039 0.000 0.451 13 I N 2.679 123.268 120.570 0.030 0.000 2.581 13 I HA -0.140 4.030 4.170 -0.000 0.000 0.285 13 I C -1.186 174.936 176.117 0.008 0.000 1.129 13 I CA -0.074 61.243 61.300 0.028 0.000 1.397 13 I CB -0.323 37.710 38.000 0.056 0.000 1.399 13 I HN -0.517 7.716 8.210 0.039 0.000 0.537 14 I N 6.978 127.532 120.570 -0.026 0.000 2.315 14 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 14 I C -1.709 174.336 176.117 -0.119 0.000 1.006 14 I CA -2.049 59.206 61.300 -0.076 0.000 1.265 14 I CB -0.154 37.791 38.000 -0.092 0.000 1.387 14 I HN -0.046 8.150 8.210 -0.024 0.000 0.475 15 L N 8.395 129.522 121.223 -0.161 0.000 2.278 15 L HA 0.243 4.583 4.340 -0.000 0.000 0.287 15 L C -1.587 175.061 176.870 -0.371 0.000 1.072 15 L CA -0.457 54.237 54.840 -0.243 0.000 0.819 15 L CB 0.860 42.745 42.059 -0.289 0.000 1.176 15 L HN 0.156 8.299 8.230 -0.145 0.000 0.435 16 V N 8.671 128.363 119.914 -0.370 0.000 2.320 16 V HA 0.261 4.381 4.120 -0.000 0.000 0.265 16 V C -0.386 175.442 176.094 -0.444 0.000 1.048 16 V CA -0.917 61.135 62.300 -0.413 0.000 0.865 16 V CB -1.152 30.484 31.823 -0.311 0.000 1.043 16 V HN 0.301 8.290 8.190 -0.335 0.000 0.474 17 S N 6.061 121.396 115.700 -0.609 0.000 2.687 17 S HA 0.469 4.939 4.470 -0.000 0.000 0.283 17 S C -0.925 173.465 174.600 -0.350 0.000 1.170 17 S CA -1.293 56.617 58.200 -0.484 0.000 1.008 17 S CB 3.030 65.882 63.200 -0.580 0.000 1.026 17 S HN -0.125 7.668 8.310 -0.862 0.000 0.541 18 S N -0.362 115.241 115.700 -0.162 0.000 2.554 18 S HA 0.473 4.943 4.470 -0.000 0.000 0.278 18 S C -0.586 174.052 174.600 0.064 0.000 1.242 18 S CA -1.323 56.844 58.200 -0.054 0.000 1.051 18 S CB 1.249 64.421 63.200 -0.047 0.000 0.986 18 S HN 0.422 8.646 8.310 -0.143 0.000 0.502 19 A N 3.181 126.068 122.820 0.112 0.000 2.351 19 A HA 0.025 4.345 4.320 -0.000 0.000 0.257 19 A C -0.586 177.029 177.584 0.051 0.000 1.087 19 A CA 0.355 52.467 52.037 0.126 0.000 0.798 19 A CB 0.007 19.060 19.000 0.088 0.000 1.033 19 A HN 0.408 8.603 8.150 0.075 0.000 0.488 20 N N -1.808 116.920 118.700 0.046 0.000 2.954 20 N HA -0.247 4.493 4.740 -0.000 0.000 0.183 20 N C -1.659 173.887 175.510 0.061 0.000 1.008 20 N CA 1.561 54.634 53.050 0.038 0.000 1.049 20 N CB 0.312 38.803 38.487 0.008 0.000 0.988 20 N HN 0.465 8.874 8.380 0.048 0.000 0.551 21 E N -4.311 115.924 120.200 0.059 0.000 2.416 21 E HA 0.385 4.735 4.350 -0.000 0.000 0.273 21 E C -0.682 175.945 176.600 0.045 0.000 0.935 21 E CA -1.833 54.601 56.400 0.056 0.000 0.784 21 E CB 2.980 32.664 29.700 -0.026 0.000 1.301 21 E HN -0.738 7.586 8.360 0.060 0.072 0.454 22 I N -3.548 117.023 120.570 0.001 0.000 3.112 22 I HA -0.184 3.986 4.170 -0.000 0.000 0.284 22 I C -0.767 175.381 176.117 0.052 0.000 1.227 22 I CA 0.365 61.658 61.300 -0.011 0.000 1.369 22 I CB 0.092 38.088 38.000 -0.007 0.000 1.376 22 I HN -0.141 8.089 8.210 0.034 0.000 0.608 23 D N 0.348 120.868 120.400 0.200 0.000 2.787 23 D HA 0.147 4.787 4.640 -0.000 0.000 0.215 23 D C -2.483 173.881 176.300 0.107 0.000 1.246 23 D CA -0.136 53.988 54.000 0.206 0.000 0.798 23 D CB 2.457 43.291 40.800 0.056 0.000 1.649 23 D HN -0.150 8.356 8.370 0.227 0.000 0.507 24 V N -0.038 119.743 119.914 -0.221 0.000 2.864 24 V HA 0.407 4.527 4.120 -0.000 0.000 0.314 24 V C -1.649 174.069 176.094 -0.625 0.000 1.073 24 V CA -1.659 60.187 62.300 -0.756 0.000 0.956 24 V CB 2.255 33.073 31.823 -1.675 0.000 1.023 24 V HN 0.368 8.490 8.190 -0.113 0.000 0.435 25 R N 1.209 121.366 120.500 -0.572 0.000 2.797 25 R HA 0.431 4.771 4.340 -0.000 0.000 0.274 25 R C -2.089 174.116 176.300 -0.159 0.000 1.652 25 R CA -2.219 53.720 56.100 -0.269 0.000 1.175 25 R CB 1.447 31.739 30.300 -0.013 0.000 1.283 25 R HN 0.208 8.058 8.270 -0.700 0.000 0.513 26 P HA 0.367 4.787 4.420 -0.000 0.000 0.278 26 P C -0.859 176.698 177.300 0.429 0.000 1.258 26 P CA -1.037 62.219 63.100 0.261 0.000 0.811 26 P CB 0.894 32.667 31.700 0.121 0.000 1.063 27 c N 0.812 119.665 118.600 0.422 0.000 2.463 27 c HA 0.262 4.832 4.570 -0.000 0.000 0.380 27 c C -0.973 173.195 174.090 0.130 0.000 1.264 27 c CA -2.330 54.109 56.329 0.184 0.000 2.161 27 c CB -0.237 42.224 42.510 -0.082 0.000 2.515 27 c HN 0.480 8.992 8.230 0.470 0.000 0.565 28 P HA 0.004 4.424 4.420 -0.000 0.000 0.267 28 P C -1.772 175.566 177.300 0.064 0.000 1.328 28 P CA -0.082 63.072 63.100 0.089 0.000 0.990 28 P CB -0.362 31.389 31.700 0.085 0.000 1.168 29 L N 4.741 126.002 121.223 0.064 0.000 2.298 29 L HA 0.208 4.548 4.340 -0.000 0.000 0.284 29 L C 0.092 176.992 176.870 0.050 0.000 1.013 29 L CA -1.470 53.404 54.840 0.057 0.000 0.824 29 L CB -0.375 41.721 42.059 0.061 0.000 1.221 29 L HN -0.162 8.112 8.230 0.074 0.000 0.418 30 N N 8.416 127.145 118.700 0.048 0.000 2.150 30 N HA 0.048 4.788 4.740 -0.000 0.000 0.248 30 N C -1.231 174.296 175.510 0.030 0.000 1.278 30 N CA -0.241 52.831 53.050 0.036 0.000 0.941 30 N CB -1.385 37.123 38.487 0.036 0.000 1.023 30 N HN 0.492 8.905 8.380 0.054 0.000 0.417 31 P HA -0.095 4.325 4.420 -0.000 0.000 0.219 31 P C -0.961 176.351 177.300 0.020 0.000 1.150 31 P CA 0.855 63.963 63.100 0.014 0.000 0.814 31 P CB 0.031 31.735 31.700 0.006 0.000 0.787 32 N N -0.824 117.902 118.700 0.044 0.000 2.439 32 N HA 0.027 4.767 4.740 -0.000 0.000 0.249 32 N C -0.884 174.690 175.510 0.107 0.000 1.003 32 N CA -0.491 52.603 53.050 0.074 0.000 0.942 32 N CB 0.405 38.956 38.487 0.108 0.000 1.115 32 N HN -0.227 8.169 8.380 0.049 0.013 0.505 33 E N 5.923 126.176 120.200 0.088 0.000 2.329 33 E HA 0.004 4.354 4.350 -0.000 0.000 0.189 33 E C -0.902 175.810 176.600 0.186 0.000 0.997 33 E CA 0.233 56.696 56.400 0.104 0.000 1.062 33 E CB 1.156 30.894 29.700 0.064 0.000 1.260 33 E HN 0.250 8.633 8.360 0.040 0.000 0.490 34 H N -2.404 116.703 119.070 0.062 0.000 4.331 34 H HA -0.098 4.458 4.556 -0.000 0.000 0.283 34 H C -1.270 174.087 175.328 0.047 0.000 0.655 34 H CA 0.019 56.104 56.048 0.060 0.000 0.789 34 H CB 0.721 30.533 29.762 0.084 0.000 1.167 34 H HN 0.071 8.366 8.280 0.026 0.000 0.316 35 K N 6.962 127.480 120.400 0.196 0.000 2.363 35 K HA -0.002 4.319 4.320 -0.000 0.000 0.240 35 K C -0.776 175.892 176.600 0.113 0.000 1.169 35 K CA -0.101 56.263 56.287 0.128 0.000 1.131 35 K CB -0.611 31.945 32.500 0.094 0.000 1.771 35 K HN 0.301 8.671 8.250 0.200 0.000 0.380 36 G N 0.058 108.913 108.800 0.092 0.000 4.180 36 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.234 36 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.234 36 G C -1.145 173.762 174.900 0.012 0.000 3.778 36 G CA 1.071 46.202 45.100 0.051 0.000 0.598 36 G HN -0.514 7.788 8.290 0.097 0.046 0.220 37 T N 0.183 114.742 114.554 0.008 0.000 3.245 37 T HA 0.150 4.500 4.350 -0.000 0.000 0.261 37 T C -0.769 173.908 174.700 -0.039 0.000 0.842 37 T CA 0.483 62.560 62.100 -0.039 0.000 0.858 37 T CB 0.237 69.056 68.868 -0.081 0.000 1.262 37 T HN -0.073 8.186 8.240 0.031 0.000 0.587 38 I N 2.175 122.736 120.570 -0.015 0.000 2.752 38 I HA -0.026 4.144 4.170 -0.000 0.000 0.286 38 I C -0.480 175.637 176.117 -0.001 0.000 1.180 38 I CA -0.338 60.937 61.300 -0.041 0.000 1.404 38 I CB -1.001 37.021 38.000 0.037 0.000 1.389 38 I HN -0.248 7.970 8.210 0.013 0.000 0.549 39 T N 3.696 118.197 114.554 -0.087 0.000 3.295 39 T HA 0.238 4.588 4.350 -0.000 0.000 0.331 39 T C -1.322 173.334 174.700 -0.072 0.000 1.142 39 T CA -1.049 61.061 62.100 0.017 0.000 1.078 39 T CB 1.852 70.790 68.868 0.116 0.000 1.150 39 T HN -0.225 7.874 8.240 -0.234 0.000 0.465 40 W N 4.066 125.308 121.300 -0.096 0.000 2.359 40 W HA 0.369 5.029 4.660 -0.000 0.000 0.344 40 W C -0.932 175.304 176.519 -0.472 0.000 1.170 40 W CA -0.430 56.870 57.345 -0.075 0.000 1.296 40 W CB 2.406 31.847 29.460 -0.031 0.000 1.197 40 W HN 0.069 8.733 8.180 0.336 -0.282 0.618 41 Y N -2.063 118.437 120.300 0.333 0.000 2.609 41 Y HA 0.346 4.896 4.550 -0.000 0.000 0.342 41 Y C -0.740 175.282 175.900 0.203 0.000 1.058 41 Y CA -1.404 56.846 58.100 0.250 0.000 1.055 41 Y CB 4.296 42.909 38.460 0.255 0.000 1.292 41 Y HN 0.114 8.705 8.280 0.519 0.000 0.476 42 K N 0.511 121.049 120.400 0.229 0.000 2.318 42 K HA 0.031 4.351 4.320 -0.000 0.000 0.243 42 K C -0.790 175.925 176.600 0.192 0.000 1.047 42 K CA -0.727 55.585 56.287 0.042 0.000 0.937 42 K CB 0.943 33.453 32.500 0.017 0.000 1.225 42 K HN 0.004 8.421 8.250 0.278 0.000 0.506 43 D N -0.410 120.069 120.400 0.132 0.000 2.400 43 D HA -0.150 4.490 4.640 -0.000 0.000 0.238 43 D C 0.101 176.568 176.300 0.279 0.000 1.157 43 D CA 1.751 55.894 54.000 0.238 0.000 0.889 43 D CB 0.778 41.724 40.800 0.244 0.000 1.199 43 D HN 0.090 8.479 8.370 0.032 0.000 0.436 44 D N -1.457 119.131 120.400 0.312 0.000 2.702 44 D HA -0.453 4.187 4.640 -0.000 0.000 0.233 44 D C -0.703 175.764 176.300 0.279 0.000 1.164 44 D CA 0.935 55.104 54.000 0.282 0.000 0.638 44 D CB -1.300 39.599 40.800 0.165 0.000 1.041 44 D HN 0.278 8.818 8.370 0.285 0.000 0.422 45 S N -3.540 112.440 115.700 0.468 0.000 3.583 45 S HA -0.413 4.057 4.470 -0.000 0.000 0.398 45 S C -0.692 174.009 174.600 0.167 0.000 0.769 45 S CA 1.335 59.664 58.200 0.215 0.000 1.331 45 S CB -0.079 63.046 63.200 -0.124 0.000 1.457 45 S HN -0.032 8.829 8.310 0.951 0.019 0.608 46 K N 3.626 124.171 120.400 0.242 0.000 2.041 46 K HA 0.407 4.727 4.320 -0.000 0.000 0.277 46 K C -0.905 175.851 176.600 0.260 0.000 0.965 46 K CA -0.671 55.726 56.287 0.184 0.000 1.138 46 K CB 1.106 33.687 32.500 0.135 0.000 3.194 46 K HN -0.026 8.432 8.250 0.346 0.000 1.085 47 T N -0.897 113.760 114.554 0.171 0.000 2.881 47 T HA 0.351 4.701 4.350 -0.000 0.000 0.278 47 T C -2.017 172.661 174.700 -0.037 0.000 0.982 47 T CA -3.159 59.022 62.100 0.136 0.000 0.989 47 T CB -0.418 68.485 68.868 0.057 0.000 1.058 47 T HN -0.102 8.203 8.240 0.109 0.000 0.529 48 P HA -0.088 4.332 4.420 -0.000 0.000 0.258 48 P C 0.047 177.225 177.300 -0.203 0.000 1.563 48 P CA -0.243 62.571 63.100 -0.476 0.000 1.241 48 P CB -1.308 30.167 31.700 -0.374 0.000 1.811 49 V N -1.810 118.001 119.914 -0.170 0.000 3.868 49 V HA -0.407 3.713 4.120 -0.000 0.000 0.234 49 V C -0.271 175.774 176.094 -0.082 0.000 0.931 49 V CA -0.114 62.106 62.300 -0.134 0.000 0.995 49 V CB -2.468 29.241 31.823 -0.190 0.000 0.633 49 V HN -0.140 7.909 8.190 -0.199 0.022 0.433 50 S N 2.687 118.349 115.700 -0.063 0.000 3.639 50 S HA -0.382 4.088 4.470 -0.000 0.000 0.692 50 S C 0.885 175.478 174.600 -0.012 0.000 2.071 50 S CA 1.937 60.115 58.200 -0.037 0.000 2.168 50 S CB 0.003 63.186 63.200 -0.028 0.000 0.330 50 S HN 0.309 8.577 8.310 -0.070 0.000 1.393 51 T N -7.123 107.413 114.554 -0.031 0.000 3.622 51 T HA 0.112 4.462 4.350 -0.000 0.000 0.312 51 T C -0.733 173.919 174.700 -0.081 0.000 0.888 51 T CA -0.149 61.945 62.100 -0.010 0.000 0.957 51 T CB 0.993 69.864 68.868 0.005 0.000 1.200 51 T HN 0.382 8.585 8.240 -0.061 0.000 0.633 52 E N 1.625 121.714 120.200 -0.185 0.000 2.133 52 E HA 0.217 4.567 4.350 -0.000 0.000 0.274 52 E C 0.985 177.232 176.600 -0.589 0.000 0.930 52 E CA -2.443 53.792 56.400 -0.275 0.000 0.770 52 E CB 1.024 30.604 29.700 -0.201 0.000 1.104 52 E HN -0.432 7.828 8.360 -0.166 0.000 0.403 53 Q N 7.115 126.567 119.800 -0.579 0.000 2.248 53 Q HA -0.375 3.965 4.340 -0.000 0.000 0.208 53 Q C 0.608 176.209 176.000 -0.665 0.000 0.984 53 Q CA 3.157 58.480 55.803 -0.801 0.000 0.875 53 Q CB -0.059 28.285 28.738 -0.656 0.000 0.910 53 Q HN 0.683 8.720 8.270 -0.389 0.000 0.433 54 A N -2.475 120.086 122.820 -0.432 0.000 2.016 54 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 54 A C -0.004 177.479 177.584 -0.168 0.000 1.162 54 A CA 0.627 52.511 52.037 -0.254 0.000 0.662 54 A CB -0.294 18.595 19.000 -0.186 0.000 0.812 54 A HN 0.010 7.899 8.150 -0.385 0.031 0.450 55 S N -1.739 113.834 115.700 -0.211 0.000 2.612 55 S HA -0.146 4.324 4.470 -0.000 0.000 0.253 55 S C -0.182 174.455 174.600 0.062 0.000 1.346 55 S CA 0.006 58.156 58.200 -0.083 0.000 0.976 55 S CB 0.833 63.980 63.200 -0.090 0.000 0.949 55 S HN -0.656 7.369 8.310 -0.314 0.096 0.584 56 R N 0.150 120.686 120.500 0.060 0.000 2.009 56 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 56 R C -0.230 176.069 176.300 -0.001 0.000 1.297 56 R CA 1.094 57.233 56.100 0.066 0.000 1.008 56 R CB 0.645 30.950 30.300 0.008 0.000 0.852 56 R HN 0.167 8.443 8.270 0.009 0.000 0.475 57 I N -1.023 119.457 120.570 -0.150 0.000 2.505 57 I HA -0.128 4.042 4.170 -0.000 0.000 0.287 57 I C -1.017 174.956 176.117 -0.239 0.000 1.104 57 I CA 0.301 61.354 61.300 -0.411 0.000 1.387 57 I CB -0.592 37.140 38.000 -0.446 0.000 1.404 57 I HN -0.198 7.943 8.210 -0.114 0.000 0.528 58 H N 5.083 123.959 119.070 -0.323 0.000 3.014 58 H HA 0.461 5.017 4.556 -0.000 0.000 0.337 58 H C -2.716 172.528 175.328 -0.139 0.000 1.320 58 H CA -1.381 54.548 56.048 -0.197 0.000 1.128 58 H CB 2.382 32.067 29.762 -0.129 0.000 1.862 58 H HN 0.378 8.258 8.280 -0.666 0.000 0.536 59 Q N -0.161 119.723 119.800 0.140 0.000 2.282 59 Q HA 0.491 4.831 4.340 -0.000 0.000 0.260 59 Q C -1.580 174.648 176.000 0.380 0.000 0.964 59 Q CA -1.371 54.526 55.803 0.157 0.000 0.880 59 Q CB 2.510 31.362 28.738 0.191 0.000 1.286 59 Q HN -0.007 8.357 8.270 0.158 0.000 0.445 60 H N 6.390 125.635 119.070 0.292 0.000 4.439 60 H HA 0.182 4.738 4.556 -0.000 0.000 0.333 60 H C -0.953 174.549 175.328 0.291 0.000 1.354 60 H CA -1.577 54.617 56.048 0.244 0.000 0.910 60 H CB 3.272 33.093 29.762 0.098 0.000 1.131 60 H HN 0.559 9.123 8.280 0.473 0.000 0.641 61 K N 1.137 121.459 120.400 -0.130 0.000 2.086 61 K HA -0.252 4.068 4.320 -0.000 0.000 0.215 61 K C -0.676 176.038 176.600 0.190 0.000 1.207 61 K CA 1.217 57.478 56.287 -0.043 0.000 1.206 61 K CB -1.873 30.596 32.500 -0.053 0.000 1.253 61 K HN 0.244 8.228 8.250 -0.445 0.000 0.234 62 E N -3.536 116.817 120.200 0.256 0.000 2.440 62 E HA -0.525 3.825 4.350 -0.000 0.000 0.246 62 E C -2.050 174.858 176.600 0.512 0.000 1.165 62 E CA 1.220 57.868 56.400 0.413 0.000 0.726 62 E CB -2.163 27.697 29.700 0.266 0.000 1.271 62 E HN 0.212 8.675 8.360 0.222 0.030 0.397 63 K N -4.912 115.593 120.400 0.176 0.000 2.523 63 K HA 0.301 4.621 4.320 -0.000 0.000 0.257 63 K C -2.318 173.805 176.600 -0.795 0.000 0.932 63 K CA -1.839 54.179 56.287 -0.448 0.000 0.812 63 K CB 3.651 35.847 32.500 -0.506 0.000 1.326 63 K HN -0.835 7.554 8.250 0.264 0.020 0.433 64 L N 4.767 125.176 121.223 -1.356 0.000 2.358 64 L HA 0.230 4.570 4.340 -0.000 0.000 0.274 64 L C -1.430 175.140 176.870 -0.500 0.000 1.136 64 L CA -0.763 53.465 54.840 -1.019 0.000 0.970 64 L CB 0.006 41.269 42.059 -1.326 0.000 1.314 64 L HN -0.177 7.196 8.230 -1.429 0.000 0.427 65 W N 1.741 122.669 121.300 -0.619 0.000 2.237 65 W HA 0.084 4.744 4.660 -0.000 0.000 0.335 65 W C -0.548 175.648 176.519 -0.537 0.000 1.230 65 W CA -1.535 55.523 57.345 -0.478 0.000 1.253 65 W CB 0.531 29.630 29.460 -0.602 0.000 1.129 65 W HN -0.125 8.118 8.180 0.105 0.000 0.590 66 F N -0.661 119.240 119.950 -0.081 0.000 2.682 66 F HA 0.074 4.601 4.527 -0.000 0.000 0.308 66 F C 0.638 176.367 175.800 -0.118 0.000 1.093 66 F CA 0.891 58.825 58.000 -0.109 0.000 1.244 66 F CB 0.386 39.339 39.000 -0.079 0.000 1.052 66 F HN 0.446 8.950 8.300 0.340 0.000 0.573 67 V N -0.062 119.833 119.914 -0.032 0.000 0.677 67 V HA -0.492 3.628 4.120 -0.000 0.000 0.092 67 V C -1.452 174.543 176.094 -0.165 0.000 0.988 67 V CA 3.467 65.639 62.300 -0.212 0.000 3.141 67 V CB -3.075 28.741 31.823 -0.012 0.000 0.307 67 V HN 0.223 8.398 8.190 -0.025 0.000 0.273 68 P HA 0.216 4.636 4.420 -0.000 0.000 0.275 68 P C -2.020 175.322 177.300 0.069 0.000 1.310 68 P CA -0.716 62.455 63.100 0.118 0.000 0.904 68 P CB 0.858 32.660 31.700 0.170 0.000 1.381 69 A N -0.452 122.399 122.820 0.052 0.000 1.523 69 A HA -0.488 3.832 4.320 -0.000 0.000 0.304 69 A C -1.289 176.196 177.584 -0.164 0.000 1.248 69 A CA 1.050 53.024 52.037 -0.104 0.000 1.350 69 A CB -0.591 18.324 19.000 -0.141 0.000 0.916 69 A HN 0.249 8.359 8.150 0.092 0.095 0.186 70 K N 3.550 123.800 120.400 -0.251 0.000 2.316 70 K HA 0.359 4.679 4.320 -0.000 0.000 0.234 70 K C 1.333 177.838 176.600 -0.159 0.000 1.054 70 K CA -1.562 54.644 56.287 -0.134 0.000 0.879 70 K CB 1.992 34.449 32.500 -0.072 0.000 1.252 70 K HN -0.156 8.270 8.250 -0.307 -0.360 0.471 71 V N 1.976 121.869 119.914 -0.034 0.000 2.548 71 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 71 V C 2.155 178.252 176.094 0.004 0.000 1.055 71 V CA 3.728 66.042 62.300 0.023 0.000 1.065 71 V CB -0.713 31.124 31.823 0.024 0.000 0.681 71 V HN 0.664 8.841 8.190 -0.020 0.000 0.462 72 E N -2.217 117.972 120.200 -0.019 0.000 2.338 72 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 72 E C 1.172 177.779 176.600 0.011 0.000 1.007 72 E CA 2.510 58.909 56.400 -0.001 0.000 0.849 72 E CB -0.798 28.901 29.700 -0.001 0.000 0.774 72 E HN 0.619 8.939 8.360 -0.029 0.023 0.506 73 D N -2.105 118.266 120.400 -0.047 0.000 2.277 73 D HA -0.008 4.633 4.640 -0.000 0.000 0.208 73 D C 0.246 176.606 176.300 0.100 0.000 0.962 73 D CA 1.093 55.106 54.000 0.022 0.000 0.865 73 D CB 0.030 40.704 40.800 -0.211 0.000 0.939 73 D HN -0.557 7.573 8.370 -0.130 0.162 0.510 74 S N 0.992 116.757 115.700 0.108 0.000 3.007 74 S HA -0.308 4.162 4.470 -0.000 0.000 0.312 74 S C -0.339 174.220 174.600 -0.067 0.000 1.068 74 S CA 0.979 59.258 58.200 0.132 0.000 1.597 74 S CB -0.724 62.536 63.200 0.099 0.000 1.495 74 S HN -0.580 7.601 8.310 0.055 0.162 0.612 75 G N 3.808 112.494 108.800 -0.189 0.000 2.600 75 G HA2 0.283 4.243 3.960 -0.000 0.000 0.293 75 G HA3 0.283 4.243 3.960 -0.000 0.000 0.293 75 G C -2.030 172.570 174.900 -0.500 0.000 1.408 75 G CA -0.466 44.393 45.100 -0.402 0.000 0.782 75 G HN -0.557 7.599 8.290 -0.214 0.006 0.482 76 H N -0.057 118.998 119.070 -0.026 0.000 2.848 76 H HA 0.106 4.662 4.556 -0.000 0.000 0.317 76 H C -1.084 174.313 175.328 0.115 0.000 1.046 76 H CA -0.068 55.941 56.048 -0.066 0.000 1.470 76 H CB 0.080 29.794 29.762 -0.081 0.000 1.483 76 H HN 0.069 7.506 8.280 -1.404 0.000 0.548 77 Y N -0.322 119.924 120.300 -0.090 0.000 2.686 77 Y HA 0.317 4.867 4.550 -0.000 0.000 0.330 77 Y C -1.530 174.240 175.900 -0.217 0.000 1.082 77 Y CA -3.246 54.800 58.100 -0.090 0.000 1.158 77 Y CB 3.536 42.117 38.460 0.203 0.000 1.333 77 Y HN 0.099 8.482 8.280 0.034 -0.082 0.519 78 Y N -4.091 116.482 120.300 0.455 0.000 2.669 78 Y HA 0.643 5.193 4.550 -0.000 0.000 0.335 78 Y C -1.626 174.339 175.900 0.108 0.000 1.116 78 Y CA -1.615 56.638 58.100 0.255 0.000 1.081 78 Y CB 4.264 42.840 38.460 0.194 0.000 1.297 78 Y HN -0.307 8.293 8.280 0.533 0.000 0.484 79 c N -2.941 115.721 118.600 0.104 0.000 2.985 79 c HA 0.786 5.356 4.570 -0.000 0.000 0.332 79 c C -2.917 171.097 174.090 -0.126 0.000 1.164 79 c CA -1.963 54.188 56.329 -0.297 0.000 1.347 79 c CB 3.849 45.874 42.510 -0.809 0.000 1.764 79 c HN 0.457 8.804 8.230 0.194 0.000 0.489 80 V N 2.923 122.769 119.914 -0.113 0.000 2.588 80 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 80 V C -2.764 173.242 176.094 -0.146 0.000 1.042 80 V CA -1.471 60.759 62.300 -0.117 0.000 0.877 80 V CB 3.924 35.670 31.823 -0.128 0.000 0.996 80 V HN 0.157 8.283 8.190 -0.106 0.000 0.425 81 V N 8.282 128.087 119.914 -0.181 0.000 2.448 81 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 81 V C -1.574 174.293 176.094 -0.379 0.000 1.025 81 V CA -1.329 60.827 62.300 -0.240 0.000 0.859 81 V CB 1.228 32.927 31.823 -0.207 0.000 0.988 81 V HN 0.320 8.407 8.190 -0.171 0.000 0.431 82 R N 7.196 127.456 120.500 -0.399 0.000 3.179 82 R HA 0.154 4.494 4.340 -0.000 0.000 0.231 82 R C -1.092 175.024 176.300 -0.307 0.000 1.796 82 R CA 0.714 56.555 56.100 -0.433 0.000 1.233 82 R CB 1.077 31.234 30.300 -0.237 0.000 1.545 82 R HN 0.952 9.043 8.270 -0.298 0.000 0.552 83 N N 3.136 121.616 118.700 -0.367 0.000 2.173 83 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 83 N C 0.097 175.573 175.510 -0.058 0.000 1.025 83 N CA 2.423 55.375 53.050 -0.164 0.000 0.852 83 N CB 0.109 38.495 38.487 -0.168 0.000 0.998 83 N HN 0.474 8.417 8.380 -0.729 0.000 0.427 84 S N -2.342 113.401 115.700 0.072 0.000 2.691 84 S HA 0.182 4.652 4.470 -0.000 0.000 0.241 84 S C -0.494 174.153 174.600 0.079 0.000 1.077 84 S CA 1.358 59.610 58.200 0.087 0.000 0.900 84 S CB 1.245 64.522 63.200 0.128 0.000 0.805 84 S HN -0.089 8.339 8.310 0.197 0.000 0.529 85 S N -1.825 113.966 115.700 0.152 0.000 2.126 85 S HA 0.007 4.477 4.470 -0.000 0.000 0.242 85 S C -0.649 174.006 174.600 0.093 0.000 0.898 85 S CA 0.177 58.429 58.200 0.087 0.000 1.395 85 S CB 0.074 63.324 63.200 0.082 0.000 0.966 85 S HN -0.266 8.242 8.310 0.329 0.000 0.435 86 Y N 2.632 122.913 120.300 -0.031 0.000 3.040 86 Y HA 0.012 4.562 4.550 -0.000 0.000 0.356 86 Y C -1.630 174.251 175.900 -0.031 0.000 1.096 86 Y CA -2.795 55.289 58.100 -0.026 0.000 2.058 86 Y CB -2.923 35.527 38.460 -0.017 0.000 2.215 86 Y HN -0.400 8.331 8.280 0.751 0.000 0.404 87 c N 1.229 119.771 118.600 -0.097 0.000 2.527 87 c HA 0.203 4.773 4.570 -0.000 0.000 0.396 87 c C -0.597 173.442 174.090 -0.085 0.000 1.289 87 c CA -0.798 55.443 56.329 -0.147 0.000 2.047 87 c CB 0.522 42.952 42.510 -0.134 0.000 2.568 87 c HN 0.149 8.308 8.230 -0.039 0.047 0.573 88 L N 4.486 125.652 121.223 -0.095 0.000 3.689 88 L HA 0.108 4.448 4.340 -0.000 0.000 0.344 88 L C -2.069 174.762 176.870 -0.065 0.000 1.221 88 L CA -0.483 54.323 54.840 -0.057 0.000 1.171 88 L CB 1.799 43.851 42.059 -0.012 0.000 1.540 88 L HN 0.198 8.349 8.230 -0.130 0.000 0.631 89 R N -2.847 117.593 120.500 -0.100 0.000 2.039 89 R HA -0.448 3.892 4.340 -0.000 0.000 0.308 89 R C -0.260 176.042 176.300 0.004 0.000 1.157 89 R CA 0.617 56.663 56.100 -0.090 0.000 1.130 89 R CB -2.193 27.994 30.300 -0.189 0.000 3.108 89 R HN -0.337 7.858 8.270 -0.125 0.000 0.505 90 I N 3.875 124.460 120.570 0.024 0.000 2.598 90 I HA -0.193 3.977 4.170 -0.000 0.000 0.284 90 I C -0.385 175.848 176.117 0.193 0.000 1.140 90 I CA 0.095 61.442 61.300 0.078 0.000 1.420 90 I CB -0.193 37.824 38.000 0.029 0.000 1.387 90 I HN 0.301 8.495 8.210 -0.027 0.000 0.553 91 K N 8.773 129.292 120.400 0.198 0.000 2.172 91 K HA 0.298 4.618 4.320 -0.000 0.000 0.276 91 K C -1.323 175.355 176.600 0.129 0.000 1.013 91 K CA -0.354 56.057 56.287 0.208 0.000 0.913 91 K CB 1.338 33.945 32.500 0.178 0.000 1.055 91 K HN -0.380 7.958 8.250 0.146 0.000 0.461 92 I N 5.957 126.591 120.570 0.106 0.000 3.904 92 I HA -0.067 4.103 4.170 -0.000 0.000 0.235 92 I C -0.893 175.241 176.117 0.028 0.000 1.062 92 I CA 0.592 61.951 61.300 0.098 0.000 1.574 92 I CB 1.332 39.438 38.000 0.175 0.000 1.503 92 I HN 0.789 9.038 8.210 0.065 0.000 0.463 93 S N -2.259 113.422 115.700 -0.033 0.000 3.740 93 S HA -0.265 4.205 4.470 -0.000 0.000 0.713 93 S C -1.691 172.810 174.600 -0.166 0.000 0.505 93 S CA -0.255 57.897 58.200 -0.080 0.000 1.448 93 S CB -0.651 62.557 63.200 0.012 0.000 0.874 93 S HN -0.028 8.327 8.310 -0.047 -0.074 1.048 94 A N 2.877 125.523 122.820 -0.290 0.000 2.288 94 A HA 0.680 5.000 4.320 -0.000 0.000 0.328 94 A C -1.946 175.451 177.584 -0.312 0.000 1.123 94 A CA -1.604 50.229 52.037 -0.340 0.000 0.861 94 A CB 2.591 21.355 19.000 -0.394 0.000 1.272 94 A HN -0.194 7.725 8.150 -0.386 0.000 0.490 95 K N 1.387 121.520 120.400 -0.445 0.000 2.535 95 K HA 0.304 4.624 4.320 -0.000 0.000 0.251 95 K C -2.075 174.193 176.600 -0.554 0.000 0.942 95 K CA -0.298 55.798 56.287 -0.318 0.000 0.798 95 K CB 3.418 35.787 32.500 -0.219 0.000 1.267 95 K HN -0.239 7.641 8.250 -0.617 0.000 0.434 96 F N 2.421 122.251 119.950 -0.199 0.000 2.482 96 F HA 0.639 5.166 4.527 -0.000 0.000 0.331 96 F C -0.672 175.054 175.800 -0.123 0.000 1.115 96 F CA -1.042 56.851 58.000 -0.179 0.000 0.955 96 F CB 2.153 41.044 39.000 -0.182 0.000 1.136 96 F HN 0.110 8.511 8.300 0.168 0.000 0.452 97 V N -1.487 118.428 119.914 0.002 0.000 3.113 97 V HA 0.572 4.692 4.120 -0.000 0.000 0.316 97 V C -1.296 174.799 176.094 0.000 0.000 1.125 97 V CA -3.353 58.941 62.300 -0.010 0.000 1.026 97 V CB 2.654 34.446 31.823 -0.051 0.000 1.080 97 V HN 0.287 8.447 8.190 -0.049 0.000 0.444 98 E N 0.810 121.004 120.200 -0.010 0.000 2.214 98 E HA 0.209 4.559 4.350 -0.000 0.000 0.274 98 E C -0.794 175.787 176.600 -0.033 0.000 0.977 98 E CA -1.128 55.262 56.400 -0.017 0.000 0.827 98 E CB 2.483 32.172 29.700 -0.017 0.000 1.130 98 E HN 0.420 8.771 8.360 -0.015 0.000 0.394 99 N N 2.670 121.344 118.700 -0.043 0.000 2.412 99 N HA -0.096 4.644 4.740 -0.000 0.000 0.254 99 N C 0.405 175.861 175.510 -0.089 0.000 1.232 99 N CA 0.403 53.411 53.050 -0.070 0.000 0.880 99 N CB 0.279 38.714 38.487 -0.087 0.000 1.076 99 N HN 0.214 8.571 8.380 -0.039 0.000 0.458 100 E N 3.341 123.470 120.200 -0.118 0.000 2.422 100 E HA 0.039 4.389 4.350 -0.000 0.000 0.260 100 E C -0.965 175.559 176.600 -0.126 0.000 1.108 100 E CA -1.185 55.148 56.400 -0.112 0.000 0.943 100 E CB 0.004 29.631 29.700 -0.121 0.000 0.961 100 E HN -0.246 7.934 8.360 -0.132 0.101 0.443 101 P HA -0.191 4.229 4.420 -0.000 0.000 0.260 101 P C -1.029 176.208 177.300 -0.104 0.000 1.185 101 P CA 1.552 64.603 63.100 -0.083 0.000 0.763 101 P CB -0.436 31.228 31.700 -0.060 0.000 0.776 102 N N -2.966 115.675 118.700 -0.099 0.000 2.951 102 N HA -0.379 4.361 4.740 -0.000 0.000 0.213 102 N C -0.851 174.569 175.510 -0.149 0.000 0.877 102 N CA 1.614 54.603 53.050 -0.102 0.000 1.042 102 N CB -0.995 37.444 38.487 -0.081 0.000 1.005 102 N HN 0.293 8.621 8.380 -0.086 0.000 0.604 103 L N -0.171 120.912 121.223 -0.232 0.000 2.439 103 L HA 0.344 4.684 4.340 -0.000 0.000 0.259 103 L C 0.705 177.380 176.870 -0.324 0.000 1.129 103 L CA -0.300 54.298 54.840 -0.403 0.000 0.803 103 L CB 1.630 43.240 42.059 -0.750 0.000 1.161 103 L HN -0.594 7.394 8.230 -0.217 0.112 0.462 104 c N -1.979 116.430 118.600 -0.319 0.000 2.563 104 c HA 0.390 4.960 4.570 -0.000 0.000 0.307 104 c C -1.703 172.404 174.090 0.030 0.000 1.371 104 c CA -2.554 53.712 56.329 -0.104 0.000 1.772 104 c CB -0.728 41.766 42.510 -0.027 0.000 2.283 104 c HN 0.354 8.326 8.230 -0.430 0.000 0.570 105 Y N -5.210 115.073 120.300 -0.028 0.000 2.814 105 Y HA 0.084 4.634 4.550 -0.000 0.000 0.348 105 Y C -2.976 172.906 175.900 -0.030 0.000 1.245 105 Y CA -1.621 56.464 58.100 -0.025 0.000 1.086 105 Y CB 0.153 38.616 38.460 0.005 0.000 1.373 105 Y HN -0.890 6.985 8.280 -0.505 0.102 0.451 106 N N -0.148 118.674 118.700 0.203 0.000 2.314 106 N HA 0.205 4.945 4.740 -0.000 0.000 0.294 106 N C 0.079 175.700 175.510 0.184 0.000 1.029 106 N CA -1.730 51.384 53.050 0.107 0.000 0.845 106 N CB 2.115 40.609 38.487 0.012 0.000 1.321 106 N HN 0.223 8.744 8.380 0.234 0.000 0.481 107 A N 5.551 128.474 122.820 0.171 0.000 2.070 107 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 107 A C 1.941 179.522 177.584 -0.004 0.000 1.159 107 A CA 2.668 54.771 52.037 0.110 0.000 0.656 107 A CB -0.025 19.039 19.000 0.107 0.000 0.800 107 A HN 0.749 9.262 8.150 0.133 -0.283 0.453 108 Q N -2.229 117.554 119.800 -0.027 0.000 2.439 108 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 108 Q C 0.429 176.334 176.000 -0.158 0.000 0.978 108 Q CA 2.159 57.913 55.803 -0.082 0.000 0.897 108 Q CB -0.074 28.618 28.738 -0.076 0.000 0.956 108 Q HN -0.079 8.485 8.270 -0.003 -0.295 0.483 109 A N -3.908 118.813 122.820 -0.165 0.000 2.470 109 A HA 0.277 4.597 4.320 -0.000 0.000 0.251 109 A C -0.542 176.797 177.584 -0.408 0.000 1.245 109 A CA -0.926 50.933 52.037 -0.296 0.000 0.932 109 A CB 1.124 19.996 19.000 -0.212 0.000 1.037 109 A HN -0.578 7.342 8.150 -0.088 0.178 0.522 110 I N -4.179 116.231 120.570 -0.266 0.000 2.779 110 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 110 I C -0.942 174.981 176.117 -0.323 0.000 1.134 110 I CA 0.482 61.659 61.300 -0.205 0.000 1.398 110 I CB 0.423 38.379 38.000 -0.073 0.000 1.404 110 I HN -0.637 7.356 8.210 -0.177 0.110 0.587 111 F N 4.573 124.542 119.950 0.033 0.000 2.427 111 F HA 0.276 4.803 4.527 -0.000 0.000 0.348 111 F C -0.609 175.227 175.800 0.059 0.000 1.125 111 F CA -1.326 56.705 58.000 0.052 0.000 0.989 111 F CB 2.449 41.493 39.000 0.074 0.000 1.165 111 F HN 0.015 8.433 8.300 0.197 0.000 0.442 112 K N 5.072 125.598 120.400 0.210 0.000 2.349 112 K HA 0.049 4.369 4.320 -0.000 0.000 0.288 112 K C -0.610 176.085 176.600 0.159 0.000 1.058 112 K CA 0.392 56.773 56.287 0.156 0.000 0.953 112 K CB 0.100 32.662 32.500 0.104 0.000 0.997 112 K HN 0.422 8.782 8.250 0.184 0.000 0.477 113 Q N 6.172 126.074 119.800 0.170 0.000 2.323 113 Q HA 0.292 4.632 4.340 -0.000 0.000 0.271 113 Q C -1.718 174.423 176.000 0.235 0.000 1.048 113 Q CA -1.009 54.883 55.803 0.149 0.000 0.792 113 Q CB 4.118 32.910 28.738 0.090 0.000 1.280 113 Q HN 0.367 8.753 8.270 0.194 0.000 0.441 114 K N 2.167 122.677 120.400 0.183 0.000 2.267 114 K HA 0.812 5.132 4.320 -0.000 0.000 0.246 114 K C -1.021 175.715 176.600 0.227 0.000 0.954 114 K CA -1.062 55.354 56.287 0.214 0.000 0.824 114 K CB 2.470 35.028 32.500 0.096 0.000 1.167 114 K HN 0.231 8.552 8.250 0.118 0.000 0.431 115 L N 0.171 121.584 121.223 0.316 0.000 2.526 115 L HA 0.499 4.839 4.340 -0.000 0.000 0.263 115 L C -2.354 174.598 176.870 0.138 0.000 0.943 115 L CA -2.613 52.362 54.840 0.225 0.000 0.859 115 L CB 3.655 45.873 42.059 0.265 0.000 1.313 115 L HN 0.090 8.495 8.230 0.291 0.000 0.406 116 P HA 0.170 4.590 4.420 -0.000 0.000 0.271 116 P C -0.330 176.985 177.300 0.025 0.000 1.216 116 P CA -0.459 62.658 63.100 0.029 0.000 0.771 116 P CB 0.052 31.762 31.700 0.015 0.000 0.864 117 V N 2.422 122.344 119.914 0.014 0.000 3.332 117 V HA -0.270 3.850 4.120 -0.000 0.000 0.305 117 V C 0.425 176.520 176.094 0.001 0.000 1.114 117 V CA 1.285 63.593 62.300 0.014 0.000 1.194 117 V CB -0.735 31.094 31.823 0.009 0.000 1.027 117 V HN 0.295 8.488 8.190 0.005 0.000 0.492 118 A N -0.255 122.565 122.820 -0.001 0.000 2.861 118 A HA -0.339 3.981 4.320 -0.000 0.000 0.261 118 A C -1.090 176.476 177.584 -0.031 0.000 1.351 118 A CA 1.109 53.137 52.037 -0.014 0.000 0.904 118 A CB -0.895 18.097 19.000 -0.013 0.000 1.076 118 A HN 0.678 8.835 8.150 0.012 0.000 0.729 119 G N -3.539 105.238 108.800 -0.040 0.000 2.733 119 G HA2 0.137 4.097 3.960 -0.000 0.000 0.297 119 G HA3 0.137 4.097 3.960 -0.000 0.000 0.297 119 G C -2.311 172.542 174.900 -0.079 0.000 1.422 119 G CA -0.679 44.389 45.100 -0.053 0.000 0.942 119 G HN -0.814 7.400 8.290 -0.034 0.056 0.510 120 D N 3.708 124.052 120.400 -0.093 0.000 2.434 120 D HA 0.054 4.694 4.640 -0.000 0.000 0.252 120 D C 0.134 176.365 176.300 -0.116 0.000 1.185 120 D CA 0.996 54.924 54.000 -0.121 0.000 0.886 120 D CB 0.007 40.741 40.800 -0.109 0.000 1.148 120 D HN 0.226 8.547 8.370 -0.080 0.000 0.483 121 G N 2.742 111.451 108.800 -0.151 0.000 3.015 121 G HA2 0.345 4.305 3.960 -0.000 0.000 0.281 121 G HA3 0.345 4.305 3.960 -0.000 0.000 0.281 121 G C -2.666 172.111 174.900 -0.205 0.000 1.386 121 G CA -1.584 43.428 45.100 -0.148 0.000 0.959 121 G HN 0.154 8.331 8.290 -0.189 0.000 0.522 122 G N -1.656 107.021 108.800 -0.205 0.000 2.666 122 G HA2 0.666 4.626 3.960 -0.000 0.000 0.303 122 G HA3 0.666 4.626 3.960 -0.000 0.000 0.303 122 G C -1.039 173.694 174.900 -0.278 0.000 1.412 122 G CA -0.724 44.227 45.100 -0.248 0.000 0.979 122 G HN -0.002 8.190 8.290 -0.164 0.000 0.507 123 L N 5.672 126.661 121.223 -0.390 0.000 2.325 123 L HA 0.461 4.801 4.340 -0.000 0.000 0.279 123 L C -1.023 175.743 176.870 -0.173 0.000 1.054 123 L CA -0.566 54.073 54.840 -0.334 0.000 0.804 123 L CB 2.068 43.826 42.059 -0.502 0.000 1.200 123 L HN 0.722 8.561 8.230 -0.481 0.103 0.436 124 V N 3.389 123.285 119.914 -0.029 0.000 2.448 124 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 124 V C -0.930 175.248 176.094 0.141 0.000 1.025 124 V CA -1.450 60.886 62.300 0.059 0.000 0.859 124 V CB 1.456 33.259 31.823 -0.034 0.000 0.988 124 V HN 0.190 8.673 8.190 -0.046 -0.320 0.431 125 c N 9.373 128.132 118.600 0.265 0.000 2.520 125 c HA 0.374 4.944 4.570 -0.000 0.000 0.369 125 c C -1.569 172.512 174.090 -0.015 0.000 1.244 125 c CA -2.530 53.873 56.329 0.124 0.000 1.677 125 c CB -0.648 41.889 42.510 0.044 0.000 2.324 125 c HN 0.547 8.990 8.230 0.355 0.000 0.557 126 P HA -0.096 4.324 4.420 -0.000 0.000 0.272 126 P C -0.985 176.331 177.300 0.027 0.000 1.254 126 P CA -0.171 62.790 63.100 -0.232 0.000 0.795 126 P CB 0.519 31.772 31.700 -0.745 0.000 1.022 127 Y N -5.945 114.236 120.300 -0.198 0.000 3.027 127 Y HA -0.339 4.211 4.550 -0.000 0.000 0.216 127 Y C 0.441 176.299 175.900 -0.069 0.000 1.149 127 Y CA 1.525 59.556 58.100 -0.115 0.000 1.127 127 Y CB -2.636 35.845 38.460 0.035 0.000 1.244 127 Y HN 0.313 8.365 8.280 -0.379 0.000 0.565 128 M N -1.668 117.921 119.600 -0.018 0.000 2.453 128 M HA -0.023 4.457 4.480 -0.000 0.000 0.239 128 M C 0.530 176.695 176.300 -0.223 0.000 1.151 128 M CA -1.370 53.950 55.300 0.033 0.000 0.989 128 M CB -1.460 31.172 32.600 0.053 0.000 1.548 128 M HN 0.328 8.542 8.290 -0.097 0.018 0.479 129 E N 0.493 120.380 120.200 -0.522 0.000 2.268 129 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 129 E C 0.942 177.060 176.600 -0.803 0.000 0.995 129 E CA 2.814 58.794 56.400 -0.701 0.000 0.836 129 E CB -0.586 28.624 29.700 -0.816 0.000 0.763 129 E HN 0.165 8.116 8.360 -0.534 0.089 0.491 130 F N -3.126 116.483 119.950 -0.569 0.000 2.374 130 F HA -0.055 4.472 4.527 -0.000 0.000 0.291 130 F C 1.841 177.199 175.800 -0.737 0.000 1.084 130 F CA 1.618 59.179 58.000 -0.732 0.000 1.413 130 F CB 0.353 38.651 39.000 -1.169 0.000 1.099 130 F HN -0.377 7.179 8.300 -1.185 0.034 0.534 131 F N -2.969 116.815 119.950 -0.277 0.000 2.699 131 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 131 F C 0.771 176.426 175.800 -0.241 0.000 1.154 131 F CA 0.569 58.170 58.000 -0.665 0.000 1.457 131 F CB -1.085 37.632 39.000 -0.471 0.000 1.106 131 F HN -0.288 7.349 8.300 -1.106 0.000 0.585 132 K N -1.347 119.032 120.400 -0.036 0.000 1.991 132 K HA -0.317 4.003 4.320 -0.000 0.000 0.212 132 K C 0.208 176.891 176.600 0.140 0.000 1.049 132 K CA 1.772 58.082 56.287 0.039 0.000 0.932 132 K CB 0.037 32.509 32.500 -0.047 0.000 0.717 132 K HN -0.635 7.437 8.250 -0.170 0.076 0.441 133 N N 1.231 120.025 118.700 0.156 0.000 2.348 133 N HA -0.215 4.525 4.740 -0.000 0.000 0.286 133 N C -0.808 174.947 175.510 0.409 0.000 1.371 133 N CA 1.737 54.944 53.050 0.262 0.000 0.966 133 N CB -0.694 37.971 38.487 0.297 0.000 1.356 133 N HN -0.563 7.863 8.380 0.076 0.000 0.490 134 E N 3.991 124.367 120.200 0.293 0.000 3.844 134 E HA 0.134 4.484 4.350 -0.000 0.000 0.260 134 E C -2.333 174.372 176.600 0.175 0.000 1.163 134 E CA -0.561 56.001 56.400 0.271 0.000 1.261 134 E CB 0.669 30.544 29.700 0.293 0.000 1.261 134 E HN -0.422 8.159 8.360 0.217 -0.091 0.399 135 N N -0.737 118.057 118.700 0.158 0.000 2.862 135 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 135 N C -1.161 174.409 175.510 0.100 0.000 1.116 135 N CA 0.804 53.922 53.050 0.114 0.000 0.727 135 N CB -0.891 37.651 38.487 0.093 0.000 1.083 135 N HN 0.254 8.745 8.380 0.185 0.000 0.555 136 N N -6.930 111.837 118.700 0.112 0.000 2.776 136 N HA -0.463 4.277 4.740 -0.000 0.000 0.249 136 N C -1.774 173.781 175.510 0.075 0.000 1.111 136 N CA 1.701 54.801 53.050 0.084 0.000 0.711 136 N CB -0.556 37.968 38.487 0.062 0.000 1.065 136 N HN 0.338 8.849 8.380 0.140 -0.047 0.556 137 E N -1.763 118.496 120.200 0.098 0.000 2.145 137 E HA 0.156 4.506 4.350 -0.000 0.000 0.262 137 E C -0.908 175.757 176.600 0.109 0.000 0.883 137 E CA -1.880 54.575 56.400 0.091 0.000 0.748 137 E CB 1.546 31.302 29.700 0.094 0.000 1.140 137 E HN -0.501 7.802 8.360 0.124 0.131 0.417 138 L N 5.395 126.668 121.223 0.084 0.000 2.540 138 L HA -0.010 4.330 4.340 -0.000 0.000 0.276 138 L C -0.747 176.192 176.870 0.115 0.000 1.212 138 L CA -0.865 54.030 54.840 0.091 0.000 0.893 138 L CB -0.459 41.638 42.059 0.064 0.000 1.138 138 L HN 0.256 8.524 8.230 0.064 0.000 0.491 139 P HA -0.043 4.377 4.420 -0.000 0.000 0.269 139 P C -1.485 175.882 177.300 0.113 0.000 1.217 139 P CA -0.535 62.651 63.100 0.144 0.000 0.783 139 P CB 0.467 32.273 31.700 0.176 0.000 0.898 140 K N 0.368 120.831 120.400 0.105 0.000 2.402 140 K HA -0.064 4.256 4.320 -0.000 0.000 0.285 140 K C -0.171 176.479 176.600 0.083 0.000 1.054 140 K CA -0.073 56.272 56.287 0.096 0.000 1.001 140 K CB -0.227 32.324 32.500 0.085 0.000 0.946 140 K HN 0.120 8.436 8.250 0.109 0.000 0.473 141 L N 4.794 126.072 121.223 0.092 0.000 2.312 141 L HA 0.117 4.457 4.340 -0.000 0.000 0.281 141 L C -0.030 176.842 176.870 0.004 0.000 1.070 141 L CA -0.049 54.795 54.840 0.007 0.000 0.805 141 L CB 0.991 43.036 42.059 -0.024 0.000 1.174 141 L HN 0.235 8.545 8.230 0.133 0.000 0.434 142 Q N 1.463 121.194 119.800 -0.115 0.000 2.274 142 Q HA 0.395 4.735 4.340 -0.000 0.000 0.260 142 Q C -1.440 174.332 176.000 -0.380 0.000 0.974 142 Q CA -1.249 54.469 55.803 -0.141 0.000 0.876 142 Q CB 2.605 31.298 28.738 -0.075 0.000 1.297 142 Q HN 0.234 8.329 8.270 -0.114 0.107 0.446 143 W N 0.295 121.331 121.300 -0.441 0.000 2.761 143 W HA 0.650 5.310 4.660 -0.000 0.000 0.340 143 W C -1.115 174.975 176.519 -0.714 0.000 1.072 143 W CA -0.893 56.213 57.345 -0.400 0.000 1.215 143 W CB 3.232 32.545 29.460 -0.244 0.000 1.420 143 W HN 0.539 8.622 8.180 -0.163 0.000 0.519 144 Y N -0.775 119.512 120.300 -0.022 0.000 2.524 144 Y HA 0.640 5.190 4.550 -0.000 0.000 0.347 144 Y C -2.027 173.769 175.900 -0.174 0.000 1.005 144 Y CA -1.329 56.694 58.100 -0.128 0.000 1.025 144 Y CB 4.652 43.000 38.460 -0.188 0.000 1.275 144 Y HN 0.875 9.271 8.280 0.193 0.000 0.460 145 K N 1.086 121.389 120.400 -0.163 0.000 2.463 145 K HA 0.295 4.615 4.320 -0.000 0.000 0.255 145 K C -0.570 175.934 176.600 -0.160 0.000 0.942 145 K CA -0.975 55.028 56.287 -0.472 0.000 0.814 145 K CB 2.451 34.374 32.500 -0.963 0.000 1.122 145 K HN 0.296 8.488 8.250 -0.098 0.000 0.425 146 D N 6.322 126.691 120.400 -0.051 0.000 2.800 146 D HA -0.379 4.261 4.640 -0.000 0.000 0.232 146 D C -0.481 175.882 176.300 0.105 0.000 1.137 146 D CA 1.510 55.559 54.000 0.081 0.000 0.718 146 D CB -2.248 38.572 40.800 0.034 0.000 1.084 146 D HN 0.977 9.198 8.370 -0.077 0.104 0.432 147 c N -7.996 110.685 118.600 0.135 0.000 4.473 147 c HA -0.391 4.179 4.570 -0.000 0.000 0.272 147 c C 0.051 174.203 174.090 0.103 0.000 1.434 147 c CA 0.911 57.287 56.329 0.077 0.000 1.761 147 c CB -1.751 40.780 42.510 0.035 0.000 1.564 147 c HN 0.521 8.812 8.230 0.151 0.029 0.725 148 K N 0.362 120.848 120.400 0.144 0.000 2.123 148 K HA 0.447 4.767 4.320 -0.000 0.000 0.259 148 K C -2.486 174.232 176.600 0.197 0.000 0.960 148 K CA -2.981 53.398 56.287 0.154 0.000 0.872 148 K CB 1.067 33.600 32.500 0.055 0.000 1.079 148 K HN -0.653 7.479 8.250 0.096 0.176 0.440 149 P HA 0.253 4.673 4.420 -0.000 0.000 0.281 149 P C -1.095 176.080 177.300 -0.209 0.000 1.252 149 P CA -0.250 62.723 63.100 -0.213 0.000 0.778 149 P CB 0.486 32.090 31.700 -0.158 0.000 0.895 150 L N 2.589 123.620 121.223 -0.320 0.000 2.312 150 L HA 0.154 4.494 4.340 -0.000 0.000 0.281 150 L C -0.067 176.707 176.870 -0.160 0.000 1.070 150 L CA -1.041 53.637 54.840 -0.271 0.000 0.805 150 L CB 0.568 42.291 42.059 -0.560 0.000 1.174 150 L HN 0.419 8.262 8.230 -0.469 0.105 0.434 151 L N 3.290 124.493 121.223 -0.033 0.000 2.315 151 L HA 0.080 4.420 4.340 -0.000 0.000 0.283 151 L C -0.604 176.330 176.870 0.107 0.000 1.089 151 L CA -0.320 54.538 54.840 0.030 0.000 0.833 151 L CB 0.446 42.536 42.059 0.052 0.000 1.170 151 L HN 0.312 8.547 8.230 0.009 0.000 0.442 152 L N 7.889 129.155 121.223 0.071 0.000 2.648 152 L HA 0.058 4.398 4.340 -0.000 0.000 0.238 152 L C -0.260 176.671 176.870 0.101 0.000 1.316 152 L CA -0.576 54.325 54.840 0.102 0.000 1.241 152 L CB -1.749 40.347 42.059 0.061 0.000 1.499 152 L HN 0.643 8.894 8.230 0.034 0.000 0.411 153 D N 0.140 120.621 120.400 0.135 0.000 2.317 153 D HA -0.145 4.495 4.640 -0.000 0.000 0.211 153 D C 0.564 176.910 176.300 0.077 0.000 0.966 153 D CA 0.442 54.507 54.000 0.109 0.000 0.876 153 D CB 0.493 41.381 40.800 0.147 0.000 0.927 153 D HN -0.291 8.123 8.370 0.190 0.070 0.519 154 N N -2.908 115.835 118.700 0.072 0.000 2.901 154 N HA -0.372 4.368 4.740 -0.000 0.000 0.248 154 N C -0.790 174.709 175.510 -0.017 0.000 1.044 154 N CA 1.636 54.699 53.050 0.021 0.000 0.847 154 N CB -1.358 37.135 38.487 0.011 0.000 1.127 154 N HN 0.194 8.589 8.380 0.109 0.050 0.562 155 I N -2.585 117.978 120.570 -0.012 0.000 3.534 155 I HA -0.012 4.158 4.170 -0.000 0.000 0.251 155 I C 0.749 176.707 176.117 -0.265 0.000 1.136 155 I CA 2.074 63.295 61.300 -0.132 0.000 1.475 155 I CB 1.428 39.370 38.000 -0.097 0.000 1.526 155 I HN -0.361 8.099 8.210 0.064 -0.212 0.454 156 H N -1.679 117.345 119.070 -0.076 0.000 2.486 156 H HA 0.117 4.673 4.556 -0.000 0.000 0.287 156 H C -0.870 174.130 175.328 -0.547 0.000 1.010 156 H CA 3.084 58.984 56.048 -0.245 0.000 1.324 156 H CB 1.648 31.323 29.762 -0.144 0.000 1.446 156 H HN -0.645 8.198 8.280 0.230 -0.424 0.537 157 F N -3.794 116.210 119.950 0.090 0.000 2.645 157 F HA 0.339 4.866 4.527 -0.000 0.000 0.310 157 F C -2.372 173.394 175.800 -0.056 0.000 1.102 157 F CA -0.707 57.283 58.000 -0.016 0.000 0.952 157 F CB 4.779 43.769 39.000 -0.017 0.000 1.326 157 F HN -0.427 8.249 8.300 0.203 -0.253 0.456 158 S N -0.729 115.032 115.700 0.103 0.000 2.547 158 S HA 0.405 4.875 4.470 -0.000 0.000 0.281 158 S C -1.788 172.770 174.600 -0.071 0.000 1.118 158 S CA -0.379 57.827 58.200 0.010 0.000 0.947 158 S CB 3.392 66.578 63.200 -0.024 0.000 1.053 158 S HN 0.501 8.864 8.310 0.089 0.000 0.482 159 G N 1.587 110.364 108.800 -0.038 0.000 2.487 159 G HA2 0.600 4.560 3.960 -0.000 0.000 0.314 159 G HA3 0.600 4.560 3.960 -0.000 0.000 0.314 159 G C -1.580 173.335 174.900 0.025 0.000 1.267 159 G CA -0.603 44.477 45.100 -0.034 0.000 0.937 159 G HN 0.282 8.575 8.290 0.005 0.000 0.481 160 V N 5.604 125.531 119.914 0.021 0.000 2.532 160 V HA 0.270 4.390 4.120 -0.000 0.000 0.294 160 V C -0.357 175.772 176.094 0.059 0.000 1.036 160 V CA -0.667 61.653 62.300 0.033 0.000 0.876 160 V CB 1.366 33.188 31.823 -0.001 0.000 1.012 160 V HN 0.014 8.197 8.190 -0.012 0.000 0.432 161 K N 4.341 124.790 120.400 0.082 0.000 1.882 161 K HA -0.412 3.908 4.320 -0.000 0.000 0.199 161 K C -0.939 175.748 176.600 0.144 0.000 1.562 161 K CA 1.725 58.064 56.287 0.087 0.000 0.515 161 K CB -1.143 31.385 32.500 0.045 0.000 0.682 161 K HN 0.393 8.691 8.250 0.081 0.000 0.843 162 D N -1.025 119.445 120.400 0.118 0.000 2.338 162 D HA -0.125 4.515 4.640 -0.000 0.000 0.239 162 D C -0.632 175.825 176.300 0.263 0.000 1.095 162 D CA 0.758 54.864 54.000 0.177 0.000 0.888 162 D CB -1.356 39.491 40.800 0.078 0.000 0.899 162 D HN 0.120 8.530 8.370 0.068 0.000 0.525 163 R N -3.240 117.359 120.500 0.165 0.000 2.807 163 R HA 0.857 5.197 4.340 -0.000 0.000 0.276 163 R C -2.334 173.777 176.300 -0.316 0.000 0.979 163 R CA -2.035 54.057 56.100 -0.013 0.000 0.928 163 R CB 3.399 33.650 30.300 -0.082 0.000 1.191 163 R HN -0.327 7.828 8.270 0.126 0.191 0.471 164 L N 2.529 123.320 121.223 -0.721 0.000 2.294 164 L HA 0.563 4.903 4.340 -0.000 0.000 0.283 164 L C -1.943 174.628 176.870 -0.498 0.000 1.015 164 L CA -1.528 52.723 54.840 -0.982 0.000 0.831 164 L CB 2.416 43.465 42.059 -1.683 0.000 1.217 164 L HN 0.732 8.484 8.230 -0.613 0.110 0.420 165 I N 7.458 127.851 120.570 -0.294 0.000 2.308 165 I HA 0.214 4.384 4.170 -0.000 0.000 0.293 165 I C -0.830 175.201 176.117 -0.143 0.000 1.078 165 I CA -2.083 59.096 61.300 -0.201 0.000 1.292 165 I CB -1.559 36.357 38.000 -0.139 0.000 1.423 165 I HN 0.968 8.912 8.210 -0.271 0.102 0.493 166 V N 9.180 128.959 119.914 -0.225 0.000 2.406 166 V HA 0.244 4.364 4.120 -0.000 0.000 0.272 166 V C -0.843 175.033 176.094 -0.363 0.000 1.043 166 V CA -0.805 61.309 62.300 -0.310 0.000 0.915 166 V CB -0.299 31.285 31.823 -0.397 0.000 0.988 166 V HN 0.607 8.625 8.190 -0.285 0.000 0.466 167 M N 7.454 126.806 119.600 -0.413 0.000 2.146 167 M HA 0.035 4.516 4.480 -0.000 0.000 0.357 167 M C -0.744 175.389 176.300 -0.278 0.000 1.261 167 M CA 0.205 55.330 55.300 -0.293 0.000 1.106 167 M CB 0.637 33.087 32.600 -0.250 0.000 1.612 167 M HN -0.266 7.692 8.290 -0.553 0.000 0.470 168 N N -0.790 117.794 118.700 -0.193 0.000 2.641 168 N HA -0.475 4.265 4.740 -0.000 0.000 0.267 168 N C -0.525 174.906 175.510 -0.131 0.000 1.087 168 N CA 1.216 54.191 53.050 -0.124 0.000 0.731 168 N CB -1.368 37.072 38.487 -0.078 0.000 0.886 168 N HN -0.074 8.458 8.380 -0.171 -0.254 0.547 169 V N -0.992 118.813 119.914 -0.180 0.000 2.681 169 V HA -0.220 3.900 4.120 -0.000 0.000 0.306 169 V C -1.243 174.897 176.094 0.077 0.000 1.077 169 V CA 2.073 64.282 62.300 -0.150 0.000 1.224 169 V CB -0.401 31.430 31.823 0.013 0.000 0.879 169 V HN -0.621 7.472 8.190 -0.162 0.000 0.494 170 A N 5.433 128.458 122.820 0.343 0.000 2.483 170 A HA 0.446 4.766 4.320 -0.000 0.000 0.286 170 A C 0.110 177.801 177.584 0.177 0.000 1.207 170 A CA -0.794 51.395 52.037 0.253 0.000 0.764 170 A CB 2.557 21.710 19.000 0.255 0.000 1.341 170 A HN -0.218 8.311 8.150 0.632 0.000 0.428 171 E N -0.307 119.938 120.200 0.075 0.000 2.110 171 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 171 E C 0.928 177.548 176.600 0.033 0.000 0.988 171 E CA 3.294 59.705 56.400 0.018 0.000 0.804 171 E CB -0.438 29.265 29.700 0.005 0.000 0.745 171 E HN 0.357 8.755 8.360 0.063 0.000 0.458 172 K N -4.911 115.512 120.400 0.039 0.000 2.665 172 K HA -0.184 4.136 4.320 -0.000 0.000 0.196 172 K C 0.757 177.342 176.600 -0.026 0.000 1.021 172 K CA 1.468 57.748 56.287 -0.011 0.000 1.066 172 K CB -1.184 31.278 32.500 -0.063 0.000 0.849 172 K HN 0.249 8.514 8.250 0.049 0.014 0.500 173 H N -1.222 117.953 119.070 0.176 0.000 2.705 173 H HA 0.109 4.665 4.556 -0.000 0.000 0.269 173 H C -0.091 175.516 175.328 0.466 0.000 0.998 173 H CA 0.395 56.694 56.048 0.417 0.000 1.193 173 H CB 0.842 30.952 29.762 0.580 0.000 1.485 173 H HN -0.691 7.617 8.280 0.222 0.105 0.521 174 R N -0.174 120.442 120.500 0.194 0.000 2.679 174 R HA -0.252 4.088 4.340 -0.000 0.000 0.268 174 R C -0.987 175.479 176.300 0.276 0.000 1.044 174 R CA 1.497 57.648 56.100 0.085 0.000 1.105 174 R CB 0.762 31.040 30.300 -0.036 0.000 0.989 174 R HN -0.577 7.703 8.270 0.105 0.052 0.447 175 G N -0.657 108.342 108.800 0.332 0.000 2.368 175 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.302 175 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.302 175 G C -2.626 172.484 174.900 0.350 0.000 1.329 175 G CA -0.504 44.751 45.100 0.258 0.000 0.935 175 G HN -0.373 8.105 8.290 0.313 0.000 0.590 176 N N 0.521 119.308 118.700 0.146 0.000 2.439 176 N HA 0.714 5.454 4.740 -0.000 0.000 0.249 176 N C -0.983 174.541 175.510 0.023 0.000 1.003 176 N CA -0.807 52.275 53.050 0.053 0.000 0.942 176 N CB 0.900 39.208 38.487 -0.298 0.000 1.115 176 N HN -0.315 8.311 8.380 0.083 -0.196 0.505 177 Y N 4.941 125.277 120.300 0.060 0.000 2.376 177 Y HA 0.583 5.133 4.550 -0.000 0.000 0.325 177 Y C -0.483 175.488 175.900 0.118 0.000 1.199 177 Y CA -0.742 57.446 58.100 0.147 0.000 1.206 177 Y CB 2.321 40.925 38.460 0.241 0.000 1.229 177 Y HN 0.808 9.422 8.280 0.557 0.000 0.480 178 T N -2.543 112.187 114.554 0.293 0.000 2.912 178 T HA 0.680 5.030 4.350 -0.000 0.000 0.299 178 T C -1.696 173.010 174.700 0.010 0.000 1.052 178 T CA -1.821 60.392 62.100 0.190 0.000 0.996 178 T CB 2.188 71.223 68.868 0.279 0.000 1.070 178 T HN 0.800 9.236 8.240 0.325 0.000 0.465 179 c N 0.979 119.435 118.600 -0.241 0.000 2.382 179 c HA 0.931 5.501 4.570 -0.000 0.000 0.327 179 c C -0.719 173.335 174.090 -0.061 0.000 1.250 179 c CA -3.313 52.537 56.329 -0.798 0.000 1.707 179 c CB 1.135 42.752 42.510 -1.488 0.000 2.272 179 c HN 0.370 8.550 8.230 -0.082 0.000 0.506 180 H N 1.715 120.604 119.070 -0.302 0.000 2.529 180 H HA 0.619 5.175 4.556 -0.000 0.000 0.348 180 H C -1.439 173.832 175.328 -0.094 0.000 1.079 180 H CA -1.516 54.467 56.048 -0.108 0.000 1.198 180 H CB 3.113 32.917 29.762 0.069 0.000 1.521 180 H HN 0.895 8.907 8.280 -0.278 0.102 0.514 181 A N 3.586 126.421 122.820 0.026 0.000 2.479 181 A HA 0.497 4.817 4.320 -0.000 0.000 0.296 181 A C -2.709 174.896 177.584 0.036 0.000 1.121 181 A CA -1.679 50.378 52.037 0.033 0.000 0.743 181 A CB 3.572 22.586 19.000 0.023 0.000 1.323 181 A HN 0.676 8.806 8.150 -0.033 0.000 0.415 182 S N -1.608 114.147 115.700 0.091 0.000 2.774 182 S HA 0.372 4.842 4.470 -0.000 0.000 0.297 182 S C -1.469 173.263 174.600 0.219 0.000 1.143 182 S CA -1.250 57.020 58.200 0.117 0.000 1.090 182 S CB 0.960 64.214 63.200 0.089 0.000 1.019 182 S HN 0.074 8.451 8.310 0.111 0.000 0.482 183 Y N 8.597 128.956 120.300 0.099 0.000 2.350 183 Y HA 0.080 4.630 4.550 -0.000 0.000 0.340 183 Y C -1.537 174.532 175.900 0.281 0.000 1.006 183 Y CA -1.483 56.735 58.100 0.197 0.000 1.166 183 Y CB 2.129 40.715 38.460 0.211 0.000 1.168 183 Y HN 0.551 9.001 8.280 0.283 0.000 0.502 184 T N 11.941 126.423 114.554 -0.119 0.000 2.727 184 T HA 0.012 4.362 4.350 -0.000 0.000 0.295 184 T C -1.542 172.974 174.700 -0.306 0.000 0.915 184 T CA 0.812 62.834 62.100 -0.130 0.000 1.066 184 T CB -0.960 67.874 68.868 -0.056 0.000 0.891 184 T HN 0.137 8.574 8.240 -0.020 -0.209 0.516 185 Y N 8.419 128.605 120.300 -0.189 0.000 2.426 185 Y HA 0.130 4.680 4.550 -0.000 0.000 0.325 185 Y C -1.972 173.917 175.900 -0.019 0.000 0.989 185 Y CA -1.572 56.427 58.100 -0.167 0.000 1.284 185 Y CB 1.869 40.291 38.460 -0.063 0.000 1.104 185 Y HN -0.002 8.423 8.280 0.241 0.000 0.481 186 L N 5.439 126.436 121.223 -0.377 0.000 3.418 186 L HA -0.410 3.930 4.340 -0.000 0.000 0.493 186 L C 0.829 177.602 176.870 -0.162 0.000 1.315 186 L CA -0.152 54.474 54.840 -0.356 0.000 0.885 186 L CB -1.642 40.128 42.059 -0.481 0.000 1.727 186 L HN 0.757 8.789 8.230 -0.329 0.000 0.837 187 G N -2.899 105.832 108.800 -0.115 0.000 2.480 187 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.246 187 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.246 187 G C -0.508 174.349 174.900 -0.071 0.000 1.073 187 G CA 0.815 45.868 45.100 -0.079 0.000 0.643 187 G HN 0.483 8.701 8.290 -0.120 0.000 0.525 188 K N 3.721 124.078 120.400 -0.070 0.000 2.262 188 K HA 0.146 4.466 4.320 -0.000 0.000 0.282 188 K C -0.991 175.511 176.600 -0.164 0.000 1.066 188 K CA -1.271 54.931 56.287 -0.143 0.000 0.901 188 K CB 0.105 32.488 32.500 -0.195 0.000 1.089 188 K HN -0.278 7.809 8.250 -0.053 0.130 0.476 189 Q N 3.249 122.946 119.800 -0.172 0.000 2.294 189 Q HA 0.203 4.543 4.340 -0.000 0.000 0.257 189 Q C -1.038 174.863 176.000 -0.165 0.000 0.955 189 Q CA -0.411 55.352 55.803 -0.068 0.000 0.936 189 Q CB 0.261 28.995 28.738 -0.006 0.000 1.188 189 Q HN 0.380 8.554 8.270 -0.159 0.000 0.420 190 Y N 5.475 125.819 120.300 0.073 0.000 2.453 190 Y HA 0.355 4.905 4.550 -0.000 0.000 0.326 190 Y C -2.213 173.703 175.900 0.028 0.000 1.186 190 Y CA -2.407 55.730 58.100 0.060 0.000 1.200 190 Y CB 0.224 38.742 38.460 0.096 0.000 1.247 190 Y HN 0.715 9.290 8.280 0.493 0.000 0.482 191 P HA 0.703 5.123 4.420 -0.000 0.000 0.283 191 P C -1.739 175.517 177.300 -0.074 0.000 1.278 191 P CA -0.814 62.292 63.100 0.010 0.000 0.834 191 P CB 1.835 33.516 31.700 -0.033 0.000 1.150 192 I N -3.352 117.124 120.570 -0.156 0.000 2.680 192 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 192 I C -1.885 174.097 176.117 -0.224 0.000 1.244 192 I CA -0.229 60.929 61.300 -0.237 0.000 1.042 192 I CB 4.005 41.776 38.000 -0.382 0.000 1.277 192 I HN 0.031 8.158 8.210 -0.138 0.000 0.423 193 T N 3.633 118.068 114.554 -0.199 0.000 2.903 193 T HA 0.739 5.089 4.350 -0.000 0.000 0.299 193 T C -1.659 173.023 174.700 -0.029 0.000 1.093 193 T CA -1.818 60.187 62.100 -0.159 0.000 1.002 193 T CB 2.848 71.541 68.868 -0.292 0.000 1.127 193 T HN 0.362 8.770 8.240 -0.172 -0.271 0.488 194 R N 0.224 120.747 120.500 0.038 0.000 2.673 194 R HA 0.654 4.994 4.340 -0.000 0.000 0.281 194 R C -1.277 175.110 176.300 0.145 0.000 0.991 194 R CA -1.296 54.886 56.100 0.137 0.000 0.896 194 R CB 4.177 34.586 30.300 0.181 0.000 1.201 194 R HN -0.198 8.092 8.270 0.034 0.000 0.457 195 V N 0.490 120.501 119.914 0.161 0.000 2.547 195 V HA 0.858 4.978 4.120 -0.000 0.000 0.299 195 V C -1.210 174.995 176.094 0.185 0.000 1.040 195 V CA -1.925 60.421 62.300 0.077 0.000 0.913 195 V CB 1.252 32.996 31.823 -0.131 0.000 0.992 195 V HN 0.521 8.817 8.190 0.177 0.000 0.449 196 I N 3.214 123.899 120.570 0.191 0.000 2.468 196 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 196 I C -1.954 174.297 176.117 0.224 0.000 1.039 196 I CA -0.618 60.828 61.300 0.244 0.000 1.074 196 I CB 3.293 41.451 38.000 0.263 0.000 1.228 196 I HN 0.972 9.182 8.210 0.176 0.106 0.436 197 E N 8.224 128.533 120.200 0.182 0.000 2.105 197 E HA 0.230 4.580 4.350 -0.000 0.000 0.285 197 E C -1.468 175.294 176.600 0.270 0.000 1.055 197 E CA -1.385 55.127 56.400 0.188 0.000 0.843 197 E CB 1.713 31.477 29.700 0.108 0.000 1.067 197 E HN 0.071 8.533 8.360 0.169 0.000 0.398 198 F N 9.291 129.326 119.950 0.142 0.000 2.421 198 F HA 0.457 4.984 4.527 -0.000 0.000 0.358 198 F C -1.869 173.982 175.800 0.085 0.000 1.115 198 F CA -2.084 55.953 58.000 0.062 0.000 1.160 198 F CB 0.666 39.626 39.000 -0.067 0.000 1.123 198 F HN 0.546 9.148 8.300 0.504 0.000 0.508 199 I N 9.545 130.068 120.570 -0.078 0.000 2.362 199 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 199 I C -1.406 174.493 176.117 -0.362 0.000 0.994 199 I CA -1.238 59.923 61.300 -0.231 0.000 1.158 199 I CB 2.121 40.095 38.000 -0.043 0.000 1.315 199 I HN 0.448 8.785 8.210 0.211 0.000 0.451 200 T N 4.257 118.533 114.554 -0.464 0.000 2.897 200 T HA 0.172 4.522 4.350 -0.000 0.000 0.294 200 T C -0.618 174.015 174.700 -0.112 0.000 1.004 200 T CA -1.183 60.736 62.100 -0.302 0.000 1.106 200 T CB 0.275 68.986 68.868 -0.262 0.000 0.949 200 T HN 0.249 8.222 8.240 -0.444 0.000 0.520 201 L N 2.470 123.666 121.223 -0.044 0.000 2.344 201 L HA 0.432 4.772 4.340 -0.000 0.000 0.272 201 L C -0.102 176.760 176.870 -0.012 0.000 1.035 201 L CA -1.508 53.322 54.840 -0.017 0.000 0.807 201 L CB 1.912 43.975 42.059 0.006 0.000 1.237 201 L HN 0.066 8.155 8.230 -0.020 0.129 0.442 202 E N 0.922 121.117 120.200 -0.009 0.000 2.413 202 E HA -0.255 4.095 4.350 -0.000 0.000 0.263 202 E C -0.436 176.163 176.600 -0.002 0.000 1.015 202 E CA -0.012 56.384 56.400 -0.006 0.000 0.916 202 E CB 0.736 30.434 29.700 -0.004 0.000 0.947 202 E HN 0.240 8.595 8.360 -0.008 0.000 0.440 203 E N 5.448 125.647 120.200 -0.003 0.000 2.481 203 E HA -0.193 4.157 4.350 -0.000 0.000 0.263 203 E C -0.647 175.951 176.600 -0.003 0.000 0.992 203 E CA 0.511 56.908 56.400 -0.004 0.000 0.938 203 E CB 0.369 30.064 29.700 -0.009 0.000 0.933 203 E HN 0.207 8.564 8.360 -0.004 0.000 0.453 204 N N 6.356 125.055 118.700 -0.001 0.000 2.558 204 N HA 0.048 4.788 4.740 -0.000 0.000 0.233 204 N C -0.890 174.612 175.510 -0.013 0.000 1.038 204 N CA -0.228 52.825 53.050 0.005 0.000 0.934 204 N CB -0.004 38.495 38.487 0.021 0.000 1.175 204 N HN 0.303 8.682 8.380 -0.002 0.000 0.512 205 K N 5.583 125.969 120.400 -0.024 0.000 2.258 205 K HA 0.259 4.579 4.320 -0.000 0.000 0.284 205 K C -1.797 174.747 176.600 -0.093 0.000 1.051 205 K CA -2.669 53.583 56.287 -0.058 0.000 0.923 205 K CB 0.127 32.601 32.500 -0.044 0.000 1.046 205 K HN -0.215 8.027 8.250 -0.013 0.000 0.474 206 P HA 0.135 4.555 4.420 -0.000 0.000 0.287 206 P C -1.375 175.773 177.300 -0.252 0.000 1.294 206 P CA -0.259 62.550 63.100 -0.484 0.000 0.776 206 P CB 0.425 31.461 31.700 -1.107 0.000 0.889 207 T N -0.558 113.949 114.554 -0.079 0.000 3.011 207 T HA 0.203 4.553 4.350 -0.000 0.000 0.303 207 T C -0.491 174.240 174.700 0.051 0.000 0.997 207 T CA -1.256 60.834 62.100 -0.017 0.000 1.007 207 T CB 1.976 70.839 68.868 -0.008 0.000 1.017 207 T HN 0.022 8.271 8.240 0.014 0.000 0.443 208 R N 2.187 122.712 120.500 0.043 0.000 2.590 208 R HA 0.318 4.658 4.340 -0.000 0.000 0.274 208 R C -1.482 174.840 176.300 0.037 0.000 1.061 208 R CA -1.493 54.642 56.100 0.058 0.000 1.081 208 R CB -0.688 29.638 30.300 0.044 0.000 0.984 208 R HN 0.277 8.557 8.270 0.016 0.000 0.448 209 P HA 0.117 4.537 4.420 -0.000 0.000 0.274 209 P C -1.807 175.495 177.300 0.004 0.000 1.237 209 P CA -0.600 62.514 63.100 0.022 0.000 0.793 209 P CB 0.897 32.614 31.700 0.028 0.000 0.977 210 V N 0.841 120.751 119.914 -0.006 0.000 2.334 210 V HA 0.277 4.397 4.120 -0.000 0.000 0.281 210 V C -0.253 175.820 176.094 -0.035 0.000 1.016 210 V CA -0.893 61.395 62.300 -0.020 0.000 0.832 210 V CB 0.623 32.437 31.823 -0.016 0.000 0.999 210 V HN -0.008 8.181 8.190 -0.001 0.000 0.439 211 I N 8.753 129.288 120.570 -0.058 0.000 2.436 211 I HA -0.044 4.126 4.170 -0.000 0.000 0.289 211 I C -0.136 175.937 176.117 -0.072 0.000 1.083 211 I CA 1.502 62.749 61.300 -0.087 0.000 1.372 211 I CB -0.512 37.406 38.000 -0.137 0.000 1.408 211 I HN 0.098 8.273 8.210 -0.058 0.000 0.516 212 V N 8.366 128.246 119.914 -0.058 0.000 2.426 212 V HA -0.111 4.009 4.120 -0.000 0.000 0.242 212 V C 0.623 176.691 176.094 -0.043 0.000 1.036 212 V CA 3.296 65.570 62.300 -0.042 0.000 1.044 212 V CB -0.043 31.765 31.823 -0.025 0.000 0.688 212 V HN 1.070 9.124 8.190 -0.055 0.103 0.462 213 S N -1.538 114.137 115.700 -0.041 0.000 2.468 213 S HA 0.284 4.754 4.470 -0.000 0.000 0.226 213 S C -0.831 173.759 174.600 -0.016 0.000 1.051 213 S CA 1.980 60.168 58.200 -0.021 0.000 0.943 213 S CB -0.093 63.111 63.200 0.007 0.000 0.810 213 S HN -0.605 7.677 8.310 -0.046 0.000 0.509 214 P HA 0.058 4.478 4.420 -0.000 0.000 0.220 214 P C -2.084 175.162 177.300 -0.090 0.000 1.778 214 P CA -0.823 62.275 63.100 -0.004 0.000 0.912 214 P CB -1.268 30.415 31.700 -0.029 0.000 1.861 215 A N 1.068 123.830 122.820 -0.097 0.000 3.110 215 A HA -0.197 4.123 4.320 -0.000 0.000 0.265 215 A C -0.631 176.814 177.584 -0.231 0.000 1.962 215 A CA -0.020 51.931 52.037 -0.145 0.000 1.493 215 A CB -1.619 17.324 19.000 -0.096 0.000 0.941 215 A HN -0.292 7.702 8.150 -0.062 0.119 0.610 216 N N -0.955 117.492 118.700 -0.423 0.000 2.650 216 N HA -0.444 4.296 4.740 -0.000 0.000 0.272 216 N C -1.369 173.840 175.510 -0.502 0.000 1.058 216 N CA 1.351 53.867 53.050 -0.890 0.000 0.765 216 N CB -1.714 36.327 38.487 -0.742 0.000 0.902 216 N HN 0.066 8.225 8.380 -0.384 -0.009 0.551 217 E N -2.257 117.825 120.200 -0.196 0.000 2.458 217 E HA 0.475 4.825 4.350 -0.000 0.000 0.250 217 E C -1.594 175.143 176.600 0.228 0.000 0.883 217 E CA -1.207 55.224 56.400 0.051 0.000 0.868 217 E CB 3.011 32.725 29.700 0.023 0.000 1.593 217 E HN -0.069 8.194 8.360 -0.162 0.000 0.410 218 T N -5.258 109.391 114.554 0.158 0.000 2.916 218 T HA 0.805 5.155 4.350 -0.000 0.000 0.292 218 T C -1.245 173.517 174.700 0.103 0.000 1.055 218 T CA -1.791 60.401 62.100 0.153 0.000 1.009 218 T CB 2.022 70.970 68.868 0.133 0.000 1.118 218 T HN 0.012 8.318 8.240 0.109 0.000 0.497 219 M N 2.278 121.932 119.600 0.089 0.000 2.324 219 M HA 0.392 4.872 4.480 -0.000 0.000 0.288 219 M C -2.078 174.254 176.300 0.054 0.000 1.097 219 M CA 0.095 55.428 55.300 0.054 0.000 0.928 219 M CB 3.999 36.613 32.600 0.024 0.000 1.648 219 M HN 0.760 9.109 8.290 0.099 0.000 0.460 220 E N 4.946 125.181 120.200 0.058 0.000 2.229 220 E HA 0.481 4.831 4.350 -0.000 0.000 0.283 220 E C -0.820 175.816 176.600 0.060 0.000 1.030 220 E CA -0.093 56.355 56.400 0.081 0.000 0.836 220 E CB 0.583 30.332 29.700 0.082 0.000 1.068 220 E HN 0.203 8.592 8.360 0.049 0.000 0.401 221 V N 0.231 120.196 119.914 0.086 0.000 2.841 221 V HA 0.437 4.557 4.120 -0.000 0.000 0.310 221 V C -1.110 175.067 176.094 0.138 0.000 1.090 221 V CA -2.721 59.613 62.300 0.058 0.000 0.930 221 V CB 3.112 34.909 31.823 -0.042 0.000 1.014 221 V HN 0.505 8.781 8.190 0.143 0.000 0.425 222 D N 4.842 125.307 120.400 0.107 0.000 2.350 222 D HA 0.152 4.792 4.640 -0.000 0.000 0.249 222 D C 0.101 176.506 176.300 0.176 0.000 1.119 222 D CA 0.322 54.406 54.000 0.140 0.000 0.886 222 D CB 1.040 41.893 40.800 0.088 0.000 1.195 222 D HN 0.241 8.649 8.370 0.063 0.000 0.437 223 L N 3.612 124.979 121.223 0.239 0.000 2.447 223 L HA -0.202 4.138 4.340 -0.000 0.000 0.225 223 L C -0.124 176.841 176.870 0.158 0.000 1.148 223 L CA 1.779 56.777 54.840 0.264 0.000 0.808 223 L CB 0.180 42.400 42.059 0.269 0.000 0.928 223 L HN 0.144 8.521 8.230 0.244 0.000 0.448 224 G N -6.009 102.854 108.800 0.104 0.000 2.727 224 G HA2 0.009 3.969 3.960 -0.000 0.000 0.203 224 G HA3 0.009 3.969 3.960 -0.000 0.000 0.203 224 G C -0.071 174.854 174.900 0.042 0.000 1.117 224 G CA 0.033 45.171 45.100 0.064 0.000 0.817 224 G HN -0.523 7.771 8.290 0.102 0.057 0.553 225 S N -0.014 115.707 115.700 0.035 0.000 2.737 225 S HA -0.230 4.240 4.470 -0.000 0.000 0.249 225 S C -1.019 173.574 174.600 -0.012 0.000 1.415 225 S CA 0.489 58.694 58.200 0.009 0.000 0.967 225 S CB 0.747 63.950 63.200 0.006 0.000 0.937 225 S HN -0.506 7.832 8.310 0.047 0.000 0.574 226 Q N -2.024 117.755 119.800 -0.036 0.000 2.375 226 Q HA 0.848 5.188 4.340 -0.000 0.000 0.271 226 Q C -1.164 174.778 176.000 -0.097 0.000 1.074 226 Q CA -1.356 54.405 55.803 -0.069 0.000 0.808 226 Q CB 2.996 31.696 28.738 -0.063 0.000 1.327 226 Q HN 0.059 8.311 8.270 -0.031 0.000 0.441 227 I N -4.222 116.256 120.570 -0.154 0.000 3.264 227 I HA 0.441 4.611 4.170 -0.000 0.000 0.315 227 I C -2.126 173.854 176.117 -0.229 0.000 1.154 227 I CA -2.418 58.776 61.300 -0.175 0.000 0.962 227 I CB 3.704 41.585 38.000 -0.198 0.000 1.265 227 I HN 0.390 8.488 8.210 -0.187 0.000 0.463 228 Q N 0.372 120.046 119.800 -0.210 0.000 2.309 228 Q HA 0.562 4.902 4.340 -0.000 0.000 0.270 228 Q C -1.218 174.636 176.000 -0.242 0.000 1.023 228 Q CA -1.015 54.654 55.803 -0.223 0.000 0.758 228 Q CB 2.482 31.138 28.738 -0.136 0.000 1.247 228 Q HN 0.158 8.326 8.270 -0.171 0.000 0.455 229 L N 6.358 127.362 121.223 -0.366 0.000 2.296 229 L HA 0.379 4.719 4.340 -0.000 0.000 0.286 229 L C -1.828 174.976 176.870 -0.109 0.000 1.023 229 L CA -1.309 53.324 54.840 -0.345 0.000 0.812 229 L CB 1.969 43.562 42.059 -0.776 0.000 1.223 229 L HN 0.946 8.894 8.230 -0.470 0.000 0.421 230 I N 2.696 123.329 120.570 0.105 0.000 2.406 230 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 230 I C -1.365 174.943 176.117 0.319 0.000 0.999 230 I CA -1.614 59.821 61.300 0.225 0.000 1.124 230 I CB 1.961 40.018 38.000 0.095 0.000 1.289 230 I HN -0.038 8.212 8.210 0.065 0.000 0.441 231 c N 9.516 128.307 118.600 0.319 0.000 2.285 231 c HA 0.216 4.786 4.570 -0.000 0.000 0.335 231 c C -1.506 172.585 174.090 0.002 0.000 1.267 231 c CA -1.108 55.226 56.329 0.008 0.000 1.762 231 c CB 0.153 42.408 42.510 -0.425 0.000 2.365 231 c HN 0.389 8.861 8.230 0.404 0.000 0.527 232 N N 8.305 126.995 118.700 -0.016 0.000 2.446 232 N HA 0.480 5.220 4.740 -0.000 0.000 0.265 232 N C -2.164 173.329 175.510 -0.028 0.000 0.975 232 N CA -0.956 52.092 53.050 -0.003 0.000 0.928 232 N CB 1.733 40.222 38.487 0.005 0.000 1.160 232 N HN 0.266 8.629 8.380 -0.030 0.000 0.495 233 V N 6.492 126.398 119.914 -0.013 0.000 2.628 233 V HA 0.617 4.737 4.120 -0.000 0.000 0.306 233 V C -1.186 174.910 176.094 0.003 0.000 1.045 233 V CA -1.276 61.014 62.300 -0.016 0.000 0.905 233 V CB 3.529 35.344 31.823 -0.013 0.000 0.997 233 V HN 0.376 8.572 8.190 0.010 0.000 0.436 234 T N 8.785 123.339 114.554 -0.001 0.000 2.893 234 T HA 0.686 5.036 4.350 -0.000 0.000 0.324 234 T C -1.190 173.515 174.700 0.009 0.000 1.082 234 T CA -0.692 61.411 62.100 0.005 0.000 0.983 234 T CB 0.092 68.959 68.868 -0.001 0.000 1.005 234 T HN 0.837 8.957 8.240 -0.010 0.114 0.475 235 G N 4.649 113.459 108.800 0.017 0.000 2.578 235 G HA2 0.538 4.498 3.960 -0.000 0.000 0.302 235 G HA3 0.538 4.498 3.960 -0.000 0.000 0.302 235 G C -2.503 172.413 174.900 0.026 0.000 1.243 235 G CA 0.614 45.727 45.100 0.022 0.000 0.843 235 G HN 0.577 8.880 8.290 0.021 0.000 0.486 236 Q N -0.769 119.049 119.800 0.030 0.000 2.396 236 Q HA 0.174 4.514 4.340 -0.000 0.000 0.221 236 Q C 1.993 178.011 176.000 0.029 0.000 1.025 236 Q CA -0.138 55.683 55.803 0.029 0.000 0.946 236 Q CB 0.782 29.540 28.738 0.033 0.000 1.224 236 Q HN 0.085 8.638 8.270 0.034 -0.263 0.539 237 L N -0.441 120.797 121.223 0.025 0.000 2.395 237 L HA -0.200 4.140 4.340 -0.000 0.000 0.218 237 L C 0.843 177.722 176.870 0.016 0.000 1.130 237 L CA 2.949 57.804 54.840 0.024 0.000 0.826 237 L CB -0.514 41.558 42.059 0.022 0.000 0.941 237 L HN 0.598 8.841 8.230 0.023 0.000 0.451 238 S N -5.080 110.629 115.700 0.014 0.000 2.603 238 S HA -0.065 4.405 4.470 -0.000 0.000 0.220 238 S C -0.049 174.555 174.600 0.006 0.000 0.967 238 S CA -0.131 58.070 58.200 0.003 0.000 0.920 238 S CB -0.267 62.934 63.200 0.002 0.000 0.773 238 S HN -0.223 8.062 8.310 0.019 0.037 0.529 239 D N 2.738 123.152 120.400 0.023 0.000 2.256 239 D HA 0.126 4.766 4.640 -0.000 0.000 0.250 239 D C -0.431 175.897 176.300 0.047 0.000 1.093 239 D CA 0.416 54.439 54.000 0.038 0.000 0.882 239 D CB 1.382 42.209 40.800 0.045 0.000 1.185 239 D HN -0.750 7.447 8.370 0.027 0.190 0.437 240 I N -3.792 116.823 120.570 0.074 0.000 2.863 240 I HA 0.477 4.647 4.170 -0.000 0.000 0.311 240 I C -2.156 174.083 176.117 0.203 0.000 1.026 240 I CA -2.033 59.336 61.300 0.114 0.000 1.077 240 I CB 2.759 40.803 38.000 0.074 0.000 1.262 240 I HN 0.595 8.853 8.210 0.081 0.000 0.461 241 A N 0.874 123.857 122.820 0.272 0.000 2.414 241 A HA 0.638 4.958 4.320 -0.000 0.000 0.286 241 A C -2.212 175.605 177.584 0.388 0.000 1.073 241 A CA -0.568 51.599 52.037 0.217 0.000 0.727 241 A CB 1.505 20.554 19.000 0.081 0.000 1.215 241 A HN 0.013 8.325 8.150 0.271 0.000 0.430 242 Y N -2.449 117.904 120.300 0.088 0.000 2.597 242 Y HA 0.550 5.100 4.550 -0.000 0.000 0.340 242 Y C -2.775 173.175 175.900 0.083 0.000 1.097 242 Y CA -2.924 55.287 58.100 0.184 0.000 1.037 242 Y CB 1.800 40.461 38.460 0.335 0.000 1.305 242 Y HN 0.200 8.398 8.280 -0.137 0.000 0.463 243 W N -0.833 120.639 121.300 0.288 0.000 2.448 243 W HA 0.481 5.141 4.660 -0.000 0.000 0.339 243 W C -0.858 175.879 176.519 0.362 0.000 1.124 243 W CA -1.091 56.391 57.345 0.228 0.000 1.262 243 W CB 2.394 31.945 29.460 0.152 0.000 1.251 243 W HN 0.190 9.033 8.180 0.608 -0.298 0.597 244 K N -0.698 120.109 120.400 0.677 0.000 2.498 244 K HA 0.601 4.921 4.320 -0.000 0.000 0.254 244 K C -2.649 174.281 176.600 0.551 0.000 0.933 244 K CA -0.743 55.884 56.287 0.565 0.000 0.806 244 K CB 4.671 37.514 32.500 0.572 0.000 1.301 244 K HN 0.440 9.106 8.250 0.693 0.000 0.432 245 W N 3.729 125.159 121.300 0.216 0.000 2.715 245 W HA 0.156 4.816 4.660 -0.000 0.000 0.331 245 W C -1.184 175.305 176.519 -0.051 0.000 1.031 245 W CA -1.093 56.248 57.345 -0.007 0.000 1.237 245 W CB 2.361 31.695 29.460 -0.209 0.000 1.378 245 W HN 0.840 9.299 8.180 0.465 0.000 0.454 246 N N 8.892 127.033 118.700 -0.932 0.000 2.699 246 N HA -0.420 4.320 4.740 -0.000 0.000 0.257 246 N C -0.389 174.805 175.510 -0.527 0.000 1.077 246 N CA 0.809 53.234 53.050 -1.042 0.000 0.702 246 N CB -1.086 36.257 38.487 -1.908 0.000 0.886 246 N HN 0.367 8.338 8.380 -0.681 0.000 0.549 247 G N -2.697 105.941 108.800 -0.270 0.000 2.186 247 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.266 247 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.266 247 G C -0.762 174.112 174.900 -0.043 0.000 0.982 247 G CA 0.659 45.683 45.100 -0.126 0.000 0.670 247 G HN 0.583 8.738 8.290 -0.225 0.000 0.533 248 S N -0.370 115.337 115.700 0.010 0.000 2.549 248 S HA 0.260 4.730 4.470 -0.000 0.000 0.280 248 S C -1.299 173.430 174.600 0.215 0.000 1.109 248 S CA -1.032 57.227 58.200 0.099 0.000 0.905 248 S CB 3.158 66.414 63.200 0.093 0.000 1.081 248 S HN -0.769 7.347 8.310 -0.023 0.180 0.477 249 V N 1.978 122.017 119.914 0.208 0.000 3.051 249 V HA 0.106 4.226 4.120 -0.000 0.000 0.306 249 V C 0.092 176.344 176.094 0.263 0.000 1.083 249 V CA 0.124 62.587 62.300 0.272 0.000 1.104 249 V CB 0.064 32.017 31.823 0.216 0.000 1.027 249 V HN 0.293 8.573 8.190 0.151 0.000 0.483 250 I N 3.632 124.373 120.570 0.286 0.000 2.379 250 I HA -0.212 3.958 4.170 -0.000 0.000 0.290 250 I C -0.594 175.624 176.117 0.167 0.000 1.063 250 I CA -0.045 61.389 61.300 0.223 0.000 1.351 250 I CB 0.222 38.338 38.000 0.193 0.000 1.410 250 I HN -0.001 8.414 8.210 0.342 0.000 0.505 251 D N 7.114 127.597 120.400 0.137 0.000 2.341 251 D HA -0.000 4.640 4.640 -0.000 0.000 0.245 251 D C 0.923 177.273 176.300 0.083 0.000 1.106 251 D CA -0.092 53.970 54.000 0.103 0.000 0.905 251 D CB 2.055 42.910 40.800 0.092 0.000 1.202 251 D HN 0.097 8.556 8.370 0.147 0.000 0.426 252 E N 3.166 123.409 120.200 0.072 0.000 2.106 252 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 252 E C 0.126 176.753 176.600 0.045 0.000 0.984 252 E CA 2.274 58.709 56.400 0.059 0.000 0.806 252 E CB 0.356 30.087 29.700 0.052 0.000 0.750 252 E HN 0.388 8.790 8.360 0.070 0.000 0.458 253 D N -1.119 119.308 120.400 0.045 0.000 2.538 253 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 253 D C -1.397 174.928 176.300 0.043 0.000 1.191 253 D CA 0.207 54.230 54.000 0.038 0.000 0.828 253 D CB -0.073 40.748 40.800 0.034 0.000 0.981 253 D HN -0.581 8.045 8.370 0.050 -0.226 0.490 254 D N 0.828 121.257 120.400 0.047 0.000 2.225 254 D HA 0.123 4.763 4.640 -0.000 0.000 0.248 254 D C -0.755 175.565 176.300 0.034 0.000 1.096 254 D CA -2.171 51.860 54.000 0.052 0.000 0.863 254 D CB 2.212 43.050 40.800 0.064 0.000 1.156 254 D HN -0.733 7.565 8.370 0.047 0.100 0.450 255 P HA -0.037 4.383 4.420 -0.000 0.000 0.231 255 P C -0.189 177.121 177.300 0.016 0.000 1.168 255 P CA 0.549 63.664 63.100 0.024 0.000 0.779 255 P CB 0.641 32.357 31.700 0.027 0.000 0.844 256 V N -8.359 111.568 119.914 0.022 0.000 3.539 256 V HA 0.346 4.466 4.120 -0.000 0.000 0.262 256 V C -1.025 175.031 176.094 -0.063 0.000 1.381 256 V CA -0.143 62.161 62.300 0.006 0.000 1.060 256 V CB 2.060 33.931 31.823 0.079 0.000 0.842 256 V HN -0.169 8.349 8.190 0.037 -0.306 0.445 257 L N 0.683 121.868 121.223 -0.064 0.000 2.317 257 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 257 L C -0.987 175.831 176.870 -0.087 0.000 1.024 257 L CA -0.732 54.026 54.840 -0.136 0.000 0.810 257 L CB 1.556 43.542 42.059 -0.121 0.000 1.240 257 L HN -0.410 8.130 8.230 -0.012 -0.317 0.427 258 G N 0.442 109.164 108.800 -0.130 0.000 2.760 258 G HA2 0.289 4.249 3.960 -0.000 0.000 0.296 258 G HA3 0.289 4.249 3.960 -0.000 0.000 0.296 258 G C -2.585 172.239 174.900 -0.127 0.000 1.427 258 G CA -0.095 44.953 45.100 -0.087 0.000 1.109 258 G HN -0.367 7.800 8.290 -0.205 0.000 0.553 259 E N 2.735 122.869 120.200 -0.111 0.000 2.248 259 E HA 0.503 4.853 4.350 -0.000 0.000 0.272 259 E C -1.532 174.915 176.600 -0.254 0.000 1.008 259 E CA -0.919 55.338 56.400 -0.239 0.000 0.856 259 E CB 2.284 31.744 29.700 -0.400 0.000 1.120 259 E HN 0.195 8.525 8.360 -0.050 0.000 0.397 260 D N 2.070 122.275 120.400 -0.325 0.000 2.479 260 D HA 0.326 4.966 4.640 -0.000 0.000 0.246 260 D C -1.876 174.235 176.300 -0.315 0.000 1.336 260 D CA -0.834 53.034 54.000 -0.220 0.000 0.967 260 D CB 2.039 42.820 40.800 -0.032 0.000 1.275 260 D HN 0.069 8.230 8.370 -0.347 0.000 0.577 261 Y N 1.990 122.139 120.300 -0.252 0.000 2.323 261 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 261 Y C -0.103 175.488 175.900 -0.515 0.000 1.092 261 Y CA -0.762 57.206 58.100 -0.220 0.000 1.150 261 Y CB 1.323 39.732 38.460 -0.085 0.000 1.200 261 Y HN -0.023 8.304 8.280 0.079 0.000 0.472 262 Y N 1.975 122.394 120.300 0.198 0.000 2.609 262 Y HA 0.213 4.763 4.550 -0.000 0.000 0.342 262 Y C -0.797 175.161 175.900 0.096 0.000 1.058 262 Y CA -1.127 57.042 58.100 0.115 0.000 1.055 262 Y CB 4.274 42.779 38.460 0.076 0.000 1.292 262 Y HN 0.629 9.065 8.280 0.261 0.000 0.476 263 S N -0.446 115.396 115.700 0.237 0.000 2.537 263 S HA 0.649 5.119 4.470 -0.000 0.000 0.270 263 S C -1.620 173.047 174.600 0.113 0.000 1.142 263 S CA -0.395 57.889 58.200 0.140 0.000 0.870 263 S CB 2.410 65.665 63.200 0.092 0.000 1.112 263 S HN 0.069 8.544 8.310 0.276 0.000 0.466 264 V N 3.480 123.441 119.914 0.079 0.000 2.532 264 V HA 0.225 4.345 4.120 -0.000 0.000 0.294 264 V C -1.722 174.396 176.094 0.040 0.000 1.036 264 V CA -0.550 61.783 62.300 0.055 0.000 0.876 264 V CB 2.221 34.069 31.823 0.043 0.000 1.012 264 V HN 0.274 8.508 8.190 0.073 0.000 0.432 265 E N 6.994 127.215 120.200 0.034 0.000 2.344 265 E HA -0.147 4.203 4.350 -0.000 0.000 0.270 265 E C -1.205 175.407 176.600 0.020 0.000 1.021 265 E CA -0.194 56.222 56.400 0.026 0.000 0.887 265 E CB 0.647 30.360 29.700 0.023 0.000 0.997 265 E HN 0.112 8.493 8.360 0.036 0.000 0.429 266 N N 7.737 126.447 118.700 0.017 0.000 2.406 266 N HA 0.156 4.896 4.740 -0.000 0.000 0.251 266 N C -1.155 174.361 175.510 0.010 0.000 1.069 266 N CA -2.768 50.289 53.050 0.012 0.000 0.947 266 N CB -0.061 38.432 38.487 0.011 0.000 1.111 266 N HN -0.213 8.178 8.380 0.018 0.000 0.497 267 P HA -0.171 4.249 4.420 -0.000 0.000 0.216 267 P C -0.628 176.676 177.300 0.006 0.000 1.150 267 P CA 2.067 65.171 63.100 0.008 0.000 0.843 267 P CB 0.239 31.943 31.700 0.007 0.000 0.787 268 A N -3.238 119.585 122.820 0.005 0.000 2.016 268 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 268 A C 0.043 177.629 177.584 0.004 0.000 1.162 268 A CA 0.906 52.945 52.037 0.004 0.000 0.662 268 A CB 0.524 19.526 19.000 0.003 0.000 0.812 268 A HN -0.424 7.902 8.150 0.005 -0.173 0.450 269 N N -2.262 116.441 118.700 0.005 0.000 2.875 269 N HA 0.074 4.814 4.740 -0.000 0.000 0.253 269 N C -0.912 174.603 175.510 0.007 0.000 1.296 269 N CA -0.210 52.843 53.050 0.005 0.000 0.816 269 N CB 0.691 39.180 38.487 0.003 0.000 1.504 269 N HN -0.831 7.552 8.380 0.006 0.000 0.582 270 K N 4.958 125.363 120.400 0.009 0.000 2.442 270 K HA -0.258 4.062 4.320 -0.000 0.000 0.199 270 K C 1.317 177.925 176.600 0.013 0.000 1.044 270 K CA 2.043 58.337 56.287 0.012 0.000 0.941 270 K CB -0.663 31.844 32.500 0.012 0.000 0.759 270 K HN 0.621 8.875 8.250 0.007 0.000 0.472 271 R N -2.546 117.961 120.500 0.011 0.000 2.310 271 R HA -0.062 4.278 4.340 -0.000 0.000 0.202 271 R C 0.710 177.017 176.300 0.011 0.000 0.933 271 R CA 0.759 56.866 56.100 0.012 0.000 1.054 271 R CB -0.173 30.132 30.300 0.008 0.000 0.985 271 R HN -0.715 7.694 8.270 0.008 -0.134 0.489 272 R N -0.705 119.801 120.500 0.010 0.000 2.795 272 R HA 0.166 4.506 4.340 -0.000 0.000 0.320 272 R C -1.043 175.264 176.300 0.012 0.000 1.223 272 R CA -0.785 55.321 56.100 0.009 0.000 1.305 272 R CB 0.478 30.781 30.300 0.005 0.000 1.318 272 R HN -0.229 7.843 8.270 0.010 0.204 0.636 273 S N 0.158 115.868 115.700 0.017 0.000 2.713 273 S HA 0.441 4.911 4.470 -0.000 0.000 0.283 273 S C -1.496 173.119 174.600 0.025 0.000 1.161 273 S CA -0.792 57.421 58.200 0.021 0.000 0.999 273 S CB 2.718 65.933 63.200 0.025 0.000 1.039 273 S HN -0.138 8.183 8.310 0.018 0.000 0.548 274 T N -1.526 113.047 114.554 0.032 0.000 2.807 274 T HA 0.671 5.021 4.350 -0.000 0.000 0.279 274 T C -1.099 173.637 174.700 0.060 0.000 0.993 274 T CA -1.909 60.213 62.100 0.037 0.000 0.970 274 T CB 0.880 69.765 68.868 0.029 0.000 0.950 274 T HN 0.008 8.268 8.240 0.032 0.000 0.441 275 L N 5.099 126.361 121.223 0.064 0.000 2.307 275 L HA 0.766 5.106 4.340 -0.000 0.000 0.282 275 L C -1.055 175.881 176.870 0.110 0.000 1.051 275 L CA -1.043 53.855 54.840 0.097 0.000 0.804 275 L CB 1.452 43.564 42.059 0.089 0.000 1.197 275 L HN 0.504 8.657 8.230 0.047 0.105 0.431 276 I N 2.950 123.625 120.570 0.174 0.000 2.468 276 I HA 0.460 4.630 4.170 -0.000 0.000 0.285 276 I C -1.526 174.739 176.117 0.247 0.000 1.039 276 I CA -1.423 59.989 61.300 0.187 0.000 1.074 276 I CB 1.868 39.982 38.000 0.190 0.000 1.228 276 I HN 0.427 8.667 8.210 0.214 0.099 0.436 277 T N 8.893 123.560 114.554 0.189 0.000 2.809 277 T HA 0.442 4.792 4.350 -0.000 0.000 0.296 277 T C -1.196 173.649 174.700 0.241 0.000 1.015 277 T CA -0.966 61.224 62.100 0.150 0.000 0.954 277 T CB 0.791 69.724 68.868 0.109 0.000 0.950 277 T HN 0.302 8.632 8.240 0.150 0.000 0.450 278 V N 7.477 127.468 119.914 0.129 0.000 2.407 278 V HA 0.679 4.799 4.120 -0.000 0.000 0.278 278 V C -1.365 174.683 176.094 -0.078 0.000 1.037 278 V CA -0.888 61.458 62.300 0.078 0.000 0.900 278 V CB 0.500 32.371 31.823 0.082 0.000 0.983 278 V HN 0.944 9.171 8.190 0.063 0.000 0.459 279 L N 7.700 128.770 121.223 -0.254 0.000 2.265 279 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 279 L C -1.936 174.661 176.870 -0.457 0.000 1.033 279 L CA -1.190 53.331 54.840 -0.531 0.000 0.814 279 L CB 1.601 42.935 42.059 -1.209 0.000 1.203 279 L HN 0.906 9.007 8.230 -0.215 0.000 0.423 280 N N 7.314 125.808 118.700 -0.344 0.000 2.444 280 N HA 0.531 5.271 4.740 -0.000 0.000 0.262 280 N C -1.316 174.003 175.510 -0.317 0.000 0.974 280 N CA -0.272 52.609 53.050 -0.282 0.000 0.933 280 N CB 2.294 40.680 38.487 -0.169 0.000 1.137 280 N HN 0.450 8.652 8.380 -0.297 0.000 0.498 281 I N 4.173 124.528 120.570 -0.358 0.000 2.328 281 I HA 0.220 4.390 4.170 -0.000 0.000 0.287 281 I C -0.036 175.972 176.117 -0.180 0.000 1.012 281 I CA -1.135 59.964 61.300 -0.336 0.000 1.195 281 I CB -0.369 37.334 38.000 -0.494 0.000 1.350 281 I HN 0.481 8.471 8.210 -0.366 0.000 0.464 282 S N 8.557 124.191 115.700 -0.110 0.000 2.387 282 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 282 S C -0.478 174.104 174.600 -0.030 0.000 1.026 282 S CA 2.476 60.639 58.200 -0.062 0.000 0.972 282 S CB 0.538 63.714 63.200 -0.040 0.000 0.814 282 S HN 0.384 8.628 8.310 -0.109 0.000 0.477 283 E N -0.207 119.995 120.200 0.004 0.000 2.281 283 E HA 0.199 4.549 4.350 -0.000 0.000 0.266 283 E C -1.635 175.028 176.600 0.105 0.000 0.893 283 E CA -1.112 55.309 56.400 0.034 0.000 0.798 283 E CB 2.226 31.943 29.700 0.028 0.000 1.245 283 E HN -0.774 7.595 8.360 0.014 0.000 0.410 284 I N 7.244 127.870 120.570 0.094 0.000 2.517 284 I HA -0.101 4.069 4.170 -0.000 0.000 0.285 284 I C -0.651 175.509 176.117 0.071 0.000 1.106 284 I CA 0.844 62.249 61.300 0.176 0.000 1.402 284 I CB 0.663 38.704 38.000 0.068 0.000 1.399 284 I HN 0.479 8.719 8.210 0.050 0.000 0.535 285 E N 7.985 128.075 120.200 -0.184 0.000 2.232 285 E HA 0.154 4.504 4.350 -0.000 0.000 0.264 285 E C -0.201 176.272 176.600 -0.211 0.000 0.973 285 E CA -1.833 54.366 56.400 -0.335 0.000 0.849 285 E CB 1.683 31.017 29.700 -0.610 0.000 1.198 285 E HN -0.043 8.142 8.360 -0.292 0.000 0.407 286 S N 2.804 118.478 115.700 -0.043 0.000 2.380 286 S HA -0.334 4.136 4.470 -0.000 0.000 0.229 286 S C 1.572 176.256 174.600 0.140 0.000 1.043 286 S CA 3.749 62.024 58.200 0.126 0.000 1.038 286 S CB -0.382 62.856 63.200 0.064 0.000 0.872 286 S HN 0.405 8.673 8.310 -0.070 0.000 0.456 287 R N -0.001 120.457 120.500 -0.071 0.000 2.120 287 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 287 R C 2.220 178.648 176.300 0.213 0.000 1.123 287 R CA 2.384 58.514 56.100 0.050 0.000 0.975 287 R CB -0.808 29.521 30.300 0.048 0.000 0.866 287 R HN 0.205 8.335 8.270 -0.207 0.015 0.446 288 F N -1.757 118.230 119.950 0.062 0.000 2.494 288 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 288 F C 0.697 176.430 175.800 -0.112 0.000 1.106 288 F CA 0.064 57.998 58.000 -0.110 0.000 1.452 288 F CB -1.322 37.507 39.000 -0.285 0.000 1.085 288 F HN -0.587 7.315 8.300 -0.663 0.000 0.569 289 Y N -3.394 116.981 120.300 0.124 0.000 2.500 289 Y HA -0.238 4.312 4.550 -0.000 0.000 0.270 289 Y C 1.193 177.109 175.900 0.027 0.000 1.134 289 Y CA 1.813 59.923 58.100 0.017 0.000 1.293 289 Y CB -0.057 38.325 38.460 -0.130 0.000 1.063 289 Y HN -0.769 7.636 8.280 0.316 0.065 0.534 290 K N -1.658 118.835 120.400 0.155 0.000 2.098 290 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 290 K C 0.085 176.432 176.600 -0.422 0.000 1.051 290 K CA 1.858 58.068 56.287 -0.129 0.000 0.957 290 K CB 0.887 33.287 32.500 -0.168 0.000 0.738 290 K HN -0.464 7.772 8.250 0.243 0.160 0.447 291 H N -2.569 116.535 119.070 0.057 0.000 2.637 291 H HA 0.412 4.968 4.556 -0.000 0.000 0.363 291 H C -2.380 172.894 175.328 -0.090 0.000 1.131 291 H CA -2.918 53.050 56.048 -0.134 0.000 1.183 291 H CB 1.725 31.231 29.762 -0.427 0.000 1.637 291 H HN -0.673 7.736 8.280 0.216 0.000 0.531 292 P HA 0.246 4.666 4.420 -0.000 0.000 0.279 292 P C -1.418 175.927 177.300 0.075 0.000 1.252 292 P CA -0.593 62.488 63.100 -0.031 0.000 0.811 292 P CB 1.082 32.589 31.700 -0.322 0.000 1.035 293 F N 0.328 120.476 119.950 0.330 0.000 2.413 293 F HA 0.189 4.716 4.527 -0.000 0.000 0.359 293 F C -0.250 175.846 175.800 0.494 0.000 1.122 293 F CA -0.387 57.850 58.000 0.396 0.000 1.160 293 F CB 0.107 39.144 39.000 0.061 0.000 1.146 293 F HN 0.241 8.832 8.300 0.486 0.000 0.514 294 T N 6.155 121.011 114.554 0.503 0.000 2.907 294 T HA 0.436 4.786 4.350 -0.000 0.000 0.284 294 T C -2.058 172.534 174.700 -0.180 0.000 1.004 294 T CA -0.926 61.246 62.100 0.119 0.000 1.063 294 T CB 1.192 69.955 68.868 -0.175 0.000 0.992 294 T HN 0.402 8.912 8.240 0.449 0.000 0.483 295 c N 4.786 122.955 118.600 -0.718 0.000 2.379 295 c HA 0.886 5.456 4.570 -0.000 0.000 0.323 295 c C -1.778 171.704 174.090 -1.015 0.000 1.262 295 c CA -2.367 53.312 56.329 -1.084 0.000 1.581 295 c CB 0.855 42.533 42.510 -1.387 0.000 2.221 295 c HN 0.595 8.366 8.230 -0.588 0.106 0.497 296 F N 6.550 126.127 119.950 -0.620 0.000 2.444 296 F HA 0.415 4.942 4.527 -0.000 0.000 0.342 296 F C -1.696 173.870 175.800 -0.389 0.000 1.121 296 F CA -1.865 55.811 58.000 -0.540 0.000 0.997 296 F CB 3.005 41.539 39.000 -0.777 0.000 1.130 296 F HN 0.926 8.839 8.300 -0.645 0.000 0.454 297 A N 4.914 127.716 122.820 -0.030 0.000 2.256 297 A HA 0.583 4.903 4.320 -0.000 0.000 0.317 297 A C -2.324 175.314 177.584 0.091 0.000 1.318 297 A CA -1.328 50.721 52.037 0.020 0.000 0.894 297 A CB 0.696 19.685 19.000 -0.018 0.000 1.165 297 A HN 0.823 8.847 8.150 -0.027 0.109 0.525 298 K N 3.820 124.308 120.400 0.146 0.000 2.435 298 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 298 K C -2.188 174.459 176.600 0.079 0.000 0.954 298 K CA -1.652 54.715 56.287 0.133 0.000 0.820 298 K CB 3.242 35.867 32.500 0.208 0.000 1.292 298 K HN -0.077 8.280 8.250 0.178 0.000 0.436 299 N N 3.076 121.796 118.700 0.033 0.000 3.106 299 N HA 0.200 4.940 4.740 -0.000 0.000 0.253 299 N C 0.684 176.127 175.510 -0.112 0.000 1.506 299 N CA -0.707 52.326 53.050 -0.029 0.000 0.876 299 N CB 1.647 40.135 38.487 0.002 0.000 1.452 299 N HN -0.273 8.129 8.380 0.037 0.000 0.542 300 T N -5.302 109.090 114.554 -0.271 0.000 2.929 300 T HA -0.112 4.238 4.350 -0.000 0.000 0.271 300 T C 0.925 175.412 174.700 -0.355 0.000 1.085 300 T CA 2.479 64.366 62.100 -0.354 0.000 1.125 300 T CB -0.544 68.063 68.868 -0.434 0.000 0.874 300 T HN 0.427 8.494 8.240 -0.288 0.000 0.494 301 H N 1.707 120.779 119.070 0.004 0.000 2.537 301 H HA 0.178 4.734 4.556 -0.000 0.000 0.295 301 H C -0.760 174.573 175.328 0.008 0.000 1.054 301 H CA -0.892 55.158 56.048 0.004 0.000 1.156 301 H CB -0.078 29.685 29.762 0.002 0.000 1.468 301 H HN -0.498 7.691 8.280 -0.407 -0.153 0.551 302 G N -1.672 107.165 108.800 0.061 0.000 2.576 302 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 302 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 302 G C -1.852 173.083 174.900 0.059 0.000 1.242 302 G CA -0.784 44.350 45.100 0.057 0.000 0.819 302 G HN -0.691 7.526 8.290 0.007 0.078 0.655 303 I N 0.441 121.047 120.570 0.061 0.000 3.078 303 I HA 0.318 4.488 4.170 -0.000 0.000 0.318 303 I C -0.946 175.221 176.117 0.083 0.000 1.016 303 I CA -0.713 60.639 61.300 0.087 0.000 1.130 303 I CB 1.234 39.296 38.000 0.103 0.000 1.397 303 I HN 0.104 8.345 8.210 0.053 0.000 0.570 304 D N 0.547 121.003 120.400 0.094 0.000 2.947 304 D HA 0.230 4.870 4.640 -0.000 0.000 0.224 304 D C -1.930 174.365 176.300 -0.008 0.000 1.230 304 D CA -0.477 53.543 54.000 0.033 0.000 0.871 304 D CB 3.958 44.755 40.800 -0.006 0.000 1.671 304 D HN -0.351 8.097 8.370 0.130 0.000 0.507 305 A N 2.747 125.524 122.820 -0.072 0.000 2.401 305 A HA 0.989 5.309 4.320 -0.000 0.000 0.310 305 A C -2.056 175.381 177.584 -0.245 0.000 1.075 305 A CA -1.261 50.620 52.037 -0.260 0.000 0.746 305 A CB 3.029 21.908 19.000 -0.202 0.000 1.277 305 A HN 0.262 8.389 8.150 -0.038 0.000 0.425 306 A N 0.643 123.262 122.820 -0.335 0.000 2.532 306 A HA 0.410 4.730 4.320 -0.000 0.000 0.296 306 A C -2.711 174.765 177.584 -0.180 0.000 1.058 306 A CA 0.182 52.062 52.037 -0.261 0.000 0.729 306 A CB 2.216 21.073 19.000 -0.239 0.000 1.285 306 A HN 0.127 7.974 8.150 -0.505 0.000 0.396 307 Y N -0.395 119.872 120.300 -0.056 0.000 2.650 307 Y HA 0.993 5.543 4.550 -0.000 0.000 0.331 307 Y C -2.563 173.418 175.900 0.136 0.000 1.082 307 Y CA -4.012 54.124 58.100 0.061 0.000 1.171 307 Y CB 2.638 41.133 38.460 0.057 0.000 1.326 307 Y HN -0.209 7.961 8.280 -0.510 -0.196 0.513 308 I N -0.483 120.468 120.570 0.635 0.000 2.468 308 I HA 0.298 4.468 4.170 -0.000 0.000 0.284 308 I C -2.141 174.231 176.117 0.425 0.000 1.038 308 I CA -1.784 59.792 61.300 0.460 0.000 1.083 308 I CB 1.072 39.254 38.000 0.303 0.000 1.223 308 I HN 0.211 8.812 8.210 0.652 0.000 0.443 309 Q N 7.865 127.882 119.800 0.361 0.000 2.331 309 Q HA 0.374 4.713 4.340 -0.000 0.000 0.257 309 Q C -2.083 174.000 176.000 0.140 0.000 0.957 309 Q CA -2.179 53.724 55.803 0.166 0.000 0.923 309 Q CB 0.820 29.599 28.738 0.068 0.000 1.212 309 Q HN 0.714 9.138 8.270 0.446 0.113 0.443 310 L N 6.951 128.233 121.223 0.098 0.000 2.380 310 L HA 0.450 4.790 4.340 -0.000 0.000 0.273 310 L C -0.250 176.646 176.870 0.043 0.000 1.138 310 L CA 0.331 55.162 54.840 -0.016 0.000 0.832 310 L CB 0.546 42.484 42.059 -0.201 0.000 1.124 310 L HN 0.236 8.545 8.230 0.132 0.000 0.454 311 I N -2.314 118.331 120.570 0.125 0.000 2.865 311 I HA 0.467 4.637 4.170 -0.000 0.000 0.302 311 I C -1.758 174.549 176.117 0.315 0.000 1.140 311 I CA -1.996 59.469 61.300 0.276 0.000 1.021 311 I CB 4.022 42.140 38.000 0.196 0.000 1.233 311 I HN 0.630 8.886 8.210 0.076 0.000 0.427 312 Y N 1.477 121.941 120.300 0.274 0.000 2.379 312 Y HA 0.184 4.734 4.550 0.000 0.000 0.337 312 Y C -1.226 174.730 175.900 0.092 0.000 1.238 312 Y CA -0.980 57.195 58.100 0.126 0.000 1.405 312 Y CB -0.779 37.613 38.460 -0.114 0.000 1.310 312 Y HN 0.103 8.650 8.280 0.446 0.000 0.569 313 P HA 0.031 4.451 4.420 -0.000 0.000 0.269 313 P C -1.758 175.606 177.300 0.107 0.000 1.215 313 P CA 0.061 63.246 63.100 0.141 0.000 0.780 313 P CB 0.467 32.233 31.700 0.110 0.000 0.898 314 V N 1.653 121.613 119.914 0.077 0.000 2.508 314 V HA -0.017 4.103 4.120 -0.000 0.000 0.281 314 V C 0.495 176.610 176.094 0.035 0.000 1.041 314 V CA 0.324 62.655 62.300 0.052 0.000 1.016 314 V CB -0.293 31.558 31.823 0.046 0.000 0.984 314 V HN 0.055 8.484 8.190 0.075 -0.194 0.478 315 T N 0.000 114.566 114.554 0.020 0.000 3.816 315 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 315 T CA 0.000 62.106 62.100 0.009 0.000 1.349 315 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 315 T HN 0.000 8.250 8.240 0.017 0.000 0.658