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 2ib6_1_D DATA FIRST_RESID 5 DATA SEQUENCE ISDNVRIKLY XEGTVNNHHF XCEAEGEGKP YEGTQXENIK VTKGGPLPFS DATA SEQUENCE FDILTPNCXX XSVAITKYTS GIPDYFKQSF PEGFTWERTT IYEDGAYLTT DATA SEQUENCE QQETKLDGNC LVYNIKILGC NFPPNGPVXQ KKTQGWEPCC EXRYTRDGVL DATA SEQUENCE CGQTLXALKC ADGNHLTCHL RTTYRSKKAA KALQXPPFHF SDHRPEIVKV DATA SEQUENCE SENGTLFEQH ESSVARYCQT CPSKLGHN 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 5 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 5 I C 0.000 176.202 176.117 0.142 0.000 1.063 5 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 5 I CB 0.000 37.905 38.000 -0.158 0.000 1.214 6 S N 2.980 118.728 115.700 0.079 0.000 2.624 6 S HA 0.225 4.696 4.470 0.001 0.000 0.263 6 S C 0.569 175.311 174.600 0.235 0.000 1.287 6 S CA 0.388 58.666 58.200 0.130 0.000 0.990 6 S CB 1.147 64.376 63.200 0.049 0.000 0.950 6 S HN 0.703 9.014 8.310 -0.000 0.000 0.561 7 D N -0.491 120.042 120.400 0.222 0.000 2.349 7 D HA 0.080 4.720 4.640 0.001 0.000 0.224 7 D C -0.282 176.108 176.300 0.149 0.000 1.029 7 D CA 0.185 54.354 54.000 0.281 0.000 0.879 7 D CB -0.472 40.433 40.800 0.175 0.000 0.906 7 D HN 0.382 8.752 8.370 -0.000 0.000 0.528 8 N N 0.445 119.195 118.700 0.084 0.000 2.558 8 N HA 0.287 5.027 4.740 0.001 0.000 0.285 8 N C -1.235 174.281 175.510 0.011 0.000 1.112 8 N CA -0.469 52.607 53.050 0.043 0.000 0.857 8 N CB 2.638 41.145 38.487 0.034 0.000 1.376 8 N HN 0.049 8.429 8.380 -0.000 0.000 0.526 9 V N -0.141 119.767 119.914 -0.010 0.000 2.864 9 V HA 0.647 4.767 4.120 0.001 0.000 0.314 9 V C 0.296 176.358 176.094 -0.055 0.000 1.073 9 V CA -1.093 61.179 62.300 -0.046 0.000 0.956 9 V CB 2.590 34.363 31.823 -0.083 0.000 1.023 9 V HN 0.481 8.671 8.190 -0.000 0.000 0.435 10 R N 1.965 122.423 120.500 -0.070 0.000 2.500 10 R HA 0.733 5.074 4.340 0.001 0.000 0.275 10 R C -1.140 175.084 176.300 -0.127 0.000 1.051 10 R CA -0.659 55.395 56.100 -0.076 0.000 1.088 10 R CB 1.135 31.397 30.300 -0.064 0.000 1.063 10 R HN 0.862 9.132 8.270 -0.000 0.000 0.511 11 I N 3.240 123.723 120.570 -0.144 0.000 2.465 11 I HA 0.363 4.533 4.170 0.001 0.000 0.291 11 I C -0.546 175.430 176.117 -0.235 0.000 1.014 11 I CA -0.956 60.196 61.300 -0.247 0.000 1.093 11 I CB 1.963 39.818 38.000 -0.243 0.000 1.267 11 I HN 0.356 8.566 8.210 -0.000 0.000 0.431 12 K N 6.807 127.025 120.400 -0.304 0.000 2.397 12 K HA 0.651 4.971 4.320 0.001 0.000 0.253 12 K C -1.362 175.023 176.600 -0.358 0.000 0.932 12 K CA -0.591 55.523 56.287 -0.288 0.000 0.795 12 K CB 2.948 35.340 32.500 -0.180 0.000 1.159 12 K HN 0.562 8.812 8.250 -0.000 0.000 0.424 13 L N 3.037 124.005 121.223 -0.424 0.000 2.408 13 L HA 0.568 4.908 4.340 0.001 0.000 0.268 13 L C -1.550 175.030 176.870 -0.484 0.000 0.986 13 L CA -0.670 54.015 54.840 -0.259 0.000 0.820 13 L CB 1.289 43.351 42.059 0.005 0.000 1.303 13 L HN 0.569 8.799 8.230 -0.000 0.000 0.411 17 G N 1.071 109.363 108.800 -0.848 0.000 2.600 17 G HA2 0.629 4.589 3.960 0.001 0.000 0.293 17 G HA3 0.629 4.589 3.960 0.001 0.000 0.293 17 G C -1.399 173.082 174.900 -0.699 0.000 1.408 17 G CA -0.416 44.241 45.100 -0.738 0.000 0.782 17 G HN 0.329 8.619 8.290 -0.000 0.000 0.482 18 T N -0.021 114.442 114.554 -0.152 0.000 3.011 18 T HA 0.576 4.926 4.350 0.001 0.000 0.303 18 T C -1.064 173.773 174.700 0.228 0.000 0.997 18 T CA -0.336 61.842 62.100 0.130 0.000 1.007 18 T CB 1.722 70.670 68.868 0.133 0.000 1.017 18 T HN 0.581 8.821 8.240 -0.000 0.000 0.443 19 V N 4.088 124.208 119.914 0.343 0.000 2.483 19 V HA 0.458 4.578 4.120 0.001 0.000 0.297 19 V C 0.553 176.736 176.094 0.148 0.000 1.027 19 V CA -0.909 61.468 62.300 0.128 0.000 0.855 19 V CB 1.387 33.019 31.823 -0.319 0.000 0.995 19 V HN 1.101 9.291 8.190 -0.000 0.000 0.424 20 N N 4.122 122.918 118.700 0.160 0.000 2.727 20 N HA -0.237 4.503 4.740 0.001 0.000 0.249 20 N C 0.678 176.302 175.510 0.189 0.000 1.048 20 N CA 0.828 53.981 53.050 0.172 0.000 0.714 20 N CB -0.546 38.031 38.487 0.151 0.000 0.959 20 N HN 0.963 9.343 8.380 -0.000 0.000 0.544 21 N N -0.521 118.288 118.700 0.181 0.000 2.800 21 N HA -0.241 4.499 4.740 0.001 0.000 0.250 21 N C -0.957 174.680 175.510 0.213 0.000 1.078 21 N CA 1.384 54.531 53.050 0.162 0.000 0.804 21 N CB -0.996 37.563 38.487 0.121 0.000 1.135 21 N HN 0.651 9.031 8.380 -0.000 0.000 0.565 22 H N 0.412 119.621 119.070 0.232 0.000 2.511 22 H HA 0.296 4.853 4.556 0.001 0.000 0.328 22 H C -0.691 174.878 175.328 0.403 0.000 1.044 22 H CA -0.442 55.783 56.048 0.295 0.000 1.212 22 H CB 0.550 30.509 29.762 0.327 0.000 1.428 22 H HN 0.357 8.637 8.280 -0.000 0.000 0.483 23 H N 5.621 124.647 119.070 -0.073 0.000 2.525 23 H HA 0.362 4.919 4.556 0.001 0.000 0.339 23 H C -0.910 174.550 175.328 0.220 0.000 1.109 23 H CA -0.042 56.019 56.048 0.021 0.000 1.352 23 H CB 0.181 29.895 29.762 -0.080 0.000 1.461 23 H HN 0.524 8.804 8.280 -0.000 0.000 0.533 27 E N 0.436 120.710 120.200 0.123 0.000 2.308 27 E HA 0.716 5.066 4.350 0.001 0.000 0.275 27 E C -0.872 175.725 176.600 -0.005 0.000 0.890 27 E CA -0.397 56.010 56.400 0.011 0.000 0.754 27 E CB 2.417 32.128 29.700 0.019 0.000 1.207 27 E HN 0.919 9.279 8.360 -0.000 0.000 0.426 28 A N 2.180 124.946 122.820 -0.090 0.000 2.515 28 A HA 0.721 5.041 4.320 0.001 0.000 0.296 28 A C -1.253 176.266 177.584 -0.109 0.000 1.094 28 A CA -0.609 51.404 52.037 -0.040 0.000 0.718 28 A CB 1.974 20.996 19.000 0.038 0.000 1.307 28 A HN 0.574 8.724 8.150 -0.000 0.000 0.408 29 E N 0.096 120.260 120.200 -0.059 0.000 2.314 29 E HA 0.719 5.069 4.350 0.001 0.000 0.272 29 E C -0.152 176.426 176.600 -0.037 0.000 0.884 29 E CA 0.199 56.557 56.400 -0.070 0.000 0.753 29 E CB 1.682 31.351 29.700 -0.051 0.000 1.213 29 E HN 1.466 9.826 8.360 -0.000 0.000 0.432 30 G N 2.376 111.147 108.800 -0.049 0.000 2.510 30 G HA2 0.546 4.507 3.960 0.001 0.000 0.277 30 G HA3 0.546 4.507 3.960 0.001 0.000 0.277 30 G C -1.383 173.498 174.900 -0.032 0.000 1.223 30 G CA -0.104 44.983 45.100 -0.022 0.000 0.887 30 G HN 0.757 9.047 8.290 -0.000 0.000 0.485 31 E N -1.620 118.570 120.200 -0.017 0.000 2.430 31 E HA 0.710 5.061 4.350 0.001 0.000 0.279 31 E C -0.433 176.161 176.600 -0.011 0.000 1.003 31 E CA -0.416 55.973 56.400 -0.018 0.000 0.801 31 E CB 1.395 31.096 29.700 0.001 0.000 1.313 31 E HN 1.470 9.830 8.360 -0.000 0.000 0.459 32 G N 0.523 109.316 108.800 -0.011 0.000 2.733 32 G HA2 0.578 4.538 3.960 0.001 0.000 0.297 32 G HA3 0.578 4.538 3.960 0.001 0.000 0.297 32 G C -1.406 173.503 174.900 0.014 0.000 1.422 32 G CA -1.150 43.949 45.100 -0.000 0.000 0.942 32 G HN 0.341 8.631 8.290 -0.000 0.000 0.510 33 K N 2.910 123.327 120.400 0.028 0.000 2.478 33 K HA 0.280 4.601 4.320 0.001 0.000 0.236 33 K C -1.926 174.700 176.600 0.043 0.000 1.021 33 K CA -1.735 54.587 56.287 0.060 0.000 1.010 33 K CB 2.735 35.282 32.500 0.078 0.000 1.331 33 K HN 0.118 8.368 8.250 -0.000 0.000 0.470 34 P HA -0.212 4.208 4.420 -0.000 0.000 0.216 34 P C 0.339 177.484 177.300 -0.258 0.000 1.154 34 P CA 1.541 64.532 63.100 -0.181 0.000 0.865 34 P CB 0.098 31.587 31.700 -0.351 0.000 0.789 35 Y N -1.228 119.118 120.300 0.076 0.000 2.510 35 Y HA 0.060 4.611 4.550 0.001 0.000 0.273 35 Y C 2.181 178.121 175.900 0.067 0.000 1.119 35 Y CA 0.388 58.536 58.100 0.079 0.000 1.286 35 Y CB -0.493 38.007 38.460 0.065 0.000 1.061 35 Y HN -0.023 8.257 8.280 -0.000 0.000 0.542 36 E N -0.391 119.915 120.200 0.176 0.000 2.318 36 E HA 0.078 4.428 4.350 0.001 0.000 0.193 36 E C 1.601 178.252 176.600 0.085 0.000 0.998 36 E CA 0.855 57.328 56.400 0.122 0.000 0.859 36 E CB -0.008 29.756 29.700 0.107 0.000 0.812 36 E HN 0.483 8.843 8.360 -0.000 0.000 0.492 37 G N 2.517 111.354 108.800 0.062 0.000 2.160 37 G HA2 -0.253 3.707 3.960 0.001 0.000 0.244 37 G HA3 -0.253 3.707 3.960 0.001 0.000 0.244 37 G C 0.339 175.251 174.900 0.020 0.000 1.022 37 G CA 0.796 45.917 45.100 0.034 0.000 0.741 37 G HN 0.349 8.639 8.290 -0.000 0.000 0.508 38 T N -2.659 111.904 114.554 0.014 0.000 2.876 38 T HA 0.786 5.136 4.350 0.001 0.000 0.289 38 T C -0.537 174.115 174.700 -0.079 0.000 1.014 38 T CA 0.225 62.299 62.100 -0.042 0.000 0.986 38 T CB 2.555 71.452 68.868 0.049 0.000 1.021 38 T HN 1.328 9.568 8.240 -0.000 0.000 0.458 42 N N 2.114 120.853 118.700 0.066 0.000 2.485 42 N HA 0.354 5.095 4.740 0.001 0.000 0.243 42 N C -0.869 174.684 175.510 0.072 0.000 0.987 42 N CA -0.217 52.867 53.050 0.058 0.000 0.940 42 N CB 0.909 39.411 38.487 0.025 0.000 1.122 42 N HN 0.226 8.606 8.380 -0.000 0.000 0.509 43 I N 1.783 122.422 120.570 0.116 0.000 2.336 43 I HA 0.274 4.445 4.170 0.001 0.000 0.292 43 I C 0.086 176.286 176.117 0.140 0.000 0.991 43 I CA -0.781 60.612 61.300 0.155 0.000 1.227 43 I CB 1.196 39.361 38.000 0.276 0.000 1.366 43 I HN 0.262 8.472 8.210 -0.000 0.000 0.466 44 K N 5.746 126.221 120.400 0.125 0.000 2.244 44 K HA 0.447 4.768 4.320 0.001 0.000 0.260 44 K C -1.143 175.551 176.600 0.157 0.000 0.951 44 K CA -0.522 55.829 56.287 0.107 0.000 0.826 44 K CB 1.666 34.202 32.500 0.060 0.000 1.108 44 K HN 0.375 8.625 8.250 -0.000 0.000 0.433 45 V N 5.230 125.241 119.914 0.162 0.000 2.372 45 V HA 0.086 4.207 4.120 0.001 0.000 0.261 45 V C 1.135 177.308 176.094 0.131 0.000 1.055 45 V CA 0.187 62.597 62.300 0.183 0.000 0.930 45 V CB 0.278 32.200 31.823 0.166 0.000 1.031 45 V HN 1.060 9.250 8.190 -0.000 0.000 0.479 46 T N 1.283 115.920 114.554 0.138 0.000 3.081 46 T HA 0.215 4.565 4.350 0.001 0.000 0.255 46 T C 0.521 175.282 174.700 0.102 0.000 1.113 46 T CA 0.246 62.409 62.100 0.106 0.000 1.082 46 T CB 0.162 69.094 68.868 0.106 0.000 0.939 46 T HN 0.521 8.761 8.240 -0.000 0.000 0.506 47 K N 0.029 120.504 120.400 0.124 0.000 2.550 47 K HA 0.504 4.824 4.320 0.001 0.000 0.252 47 K C 0.138 176.836 176.600 0.163 0.000 0.943 47 K CA -0.429 55.928 56.287 0.117 0.000 0.806 47 K CB 1.966 34.519 32.500 0.089 0.000 1.289 47 K HN 0.119 8.369 8.250 -0.000 0.000 0.435 48 G N 1.281 110.181 108.800 0.167 0.000 2.136 48 G HA2 -0.214 3.746 3.960 0.001 0.000 0.242 48 G HA3 -0.214 3.746 3.960 0.001 0.000 0.242 48 G C 0.187 175.225 174.900 0.230 0.000 0.989 48 G CA -0.023 45.243 45.100 0.277 0.000 0.682 48 G HN 0.819 9.109 8.290 -0.000 0.000 0.522 49 G N -0.403 108.466 108.800 0.114 0.000 2.441 49 G HA2 0.732 4.692 3.960 0.001 0.000 0.334 49 G HA3 0.732 4.692 3.960 0.001 0.000 0.334 49 G C -2.010 172.899 174.900 0.015 0.000 1.161 49 G CA -1.135 43.984 45.100 0.032 0.000 0.935 49 G HN 0.191 8.481 8.290 -0.000 0.000 0.488 50 P HA 0.191 4.611 4.420 -0.000 0.000 0.268 50 P C -0.032 177.165 177.300 -0.172 0.000 1.204 50 P CA -0.227 62.832 63.100 -0.069 0.000 0.768 50 P CB 0.682 32.343 31.700 -0.065 0.000 0.842 51 L N 5.572 126.613 121.223 -0.304 0.000 2.456 51 L HA 0.129 4.470 4.340 0.001 0.000 0.272 51 L C -0.936 175.547 176.870 -0.644 0.000 1.189 51 L CA -1.215 53.209 54.840 -0.694 0.000 0.846 51 L CB 0.165 41.533 42.059 -1.151 0.000 1.111 51 L HN 0.391 8.621 8.230 -0.000 0.000 0.475 52 P HA -0.024 4.396 4.420 -0.000 0.000 0.252 52 P C -0.655 176.528 177.300 -0.195 0.000 1.265 52 P CA 0.525 63.418 63.100 -0.345 0.000 0.775 52 P CB -0.231 31.317 31.700 -0.254 0.000 1.128 53 F N -3.191 116.620 119.950 -0.232 0.000 2.643 53 F HA 0.627 5.155 4.527 0.001 0.000 0.314 53 F C -0.136 175.549 175.800 -0.193 0.000 1.096 53 F CA -2.114 55.748 58.000 -0.230 0.000 0.953 53 F CB 0.410 39.207 39.000 -0.338 0.000 1.345 53 F HN -0.383 7.917 8.300 -0.000 0.000 0.468 54 S N 1.121 116.888 115.700 0.113 0.000 2.552 54 S HA 0.044 4.514 4.470 0.001 0.000 0.289 54 S C 0.634 175.294 174.600 0.099 0.000 1.304 54 S CA -0.313 57.924 58.200 0.061 0.000 1.063 54 S CB -0.152 63.054 63.200 0.009 0.000 0.848 54 S HN 0.680 8.990 8.310 -0.000 0.000 0.499 55 F N 3.934 123.800 119.950 -0.139 0.000 2.451 55 F HA -0.010 4.517 4.527 0.001 0.000 0.299 55 F C 1.640 177.365 175.800 -0.125 0.000 1.101 55 F CA 1.228 59.053 58.000 -0.292 0.000 1.436 55 F CB -0.083 38.400 39.000 -0.863 0.000 1.074 55 F HN 0.656 8.956 8.300 -0.000 0.000 0.553 56 D N 1.002 121.417 120.400 0.024 0.000 2.190 56 D HA -0.227 4.413 4.640 0.001 0.000 0.200 56 D C 2.294 178.763 176.300 0.282 0.000 0.992 56 D CA 1.929 55.994 54.000 0.107 0.000 0.854 56 D CB -0.477 40.264 40.800 -0.099 0.000 0.936 56 D HN 0.581 8.951 8.370 -0.000 0.000 0.462 57 I N -2.285 118.361 120.570 0.127 0.000 2.830 57 I HA -0.094 4.076 4.170 0.001 0.000 0.263 57 I C 1.873 178.044 176.117 0.090 0.000 1.230 57 I CA 0.752 62.195 61.300 0.238 0.000 1.480 57 I CB -0.236 37.756 38.000 -0.014 0.000 1.095 57 I HN -0.092 8.118 8.210 -0.000 0.000 0.455 58 L N 0.458 121.568 121.223 -0.190 0.000 2.298 58 L HA 0.013 4.353 4.340 0.001 0.000 0.209 58 L C 2.570 179.317 176.870 -0.205 0.000 1.084 58 L CA 0.683 55.344 54.840 -0.298 0.000 0.816 58 L CB -0.801 40.816 42.059 -0.737 0.000 0.967 58 L HN 0.177 8.407 8.230 -0.000 0.000 0.460 59 T N 1.252 115.703 114.554 -0.171 0.000 2.620 59 T HA -0.146 4.205 4.350 0.001 0.000 0.267 59 T C -0.552 174.176 174.700 0.047 0.000 1.044 59 T CA 2.028 64.162 62.100 0.057 0.000 1.161 59 T CB -1.210 67.821 68.868 0.272 0.000 0.862 59 T HN 0.298 8.538 8.240 -0.000 0.000 0.438 60 P HA 0.002 4.422 4.420 -0.000 0.000 0.230 60 P C 0.770 178.042 177.300 -0.047 0.000 1.158 60 P CA 0.827 63.843 63.100 -0.141 0.000 0.769 60 P CB -0.096 31.387 31.700 -0.361 0.000 0.807 61 N N -0.798 117.946 118.700 0.073 0.000 2.424 61 N HA 0.001 4.742 4.740 0.001 0.000 0.178 61 N C 0.930 176.582 175.510 0.236 0.000 1.060 61 N CA 0.290 53.486 53.050 0.243 0.000 0.901 61 N CB -0.167 38.449 38.487 0.214 0.000 0.979 61 N HN 0.226 8.606 8.380 -0.000 0.000 0.451 67 V N -1.257 118.438 119.914 -0.364 0.000 3.461 67 V HA 0.420 4.541 4.120 0.001 0.000 0.267 67 V C 1.842 177.582 176.094 -0.590 0.000 1.186 67 V CA 1.194 63.058 62.300 -0.727 0.000 1.154 67 V CB -0.617 30.326 31.823 -1.467 0.000 0.802 67 V HN 0.580 8.770 8.190 -0.000 0.000 0.474 68 A N 0.409 123.183 122.820 -0.078 0.000 2.178 68 A HA 0.420 4.740 4.320 0.001 0.000 0.211 68 A C 1.281 178.927 177.584 0.102 0.000 1.157 68 A CA 0.403 52.552 52.037 0.188 0.000 0.780 68 A CB -0.351 19.023 19.000 0.625 0.000 0.828 68 A HN 0.574 8.724 8.150 -0.000 0.000 0.476 69 I N 1.749 122.343 120.570 0.039 0.000 2.318 69 I HA 0.226 4.396 4.170 0.001 0.000 0.285 69 I C -0.800 175.306 176.117 -0.018 0.000 1.127 69 I CA 0.155 61.462 61.300 0.012 0.000 1.243 69 I CB 0.300 38.320 38.000 0.034 0.000 1.498 69 I HN -0.044 8.166 8.210 -0.000 0.000 0.535 70 T N 3.371 117.933 114.554 0.013 0.000 3.041 70 T HA 0.165 4.515 4.350 0.001 0.000 0.321 70 T C -0.401 174.349 174.700 0.083 0.000 1.184 70 T CA -0.822 61.294 62.100 0.026 0.000 1.050 70 T CB 2.437 71.318 68.868 0.021 0.000 1.159 70 T HN 0.335 8.575 8.240 -0.000 0.000 0.469 71 K N 2.983 123.408 120.400 0.043 0.000 2.315 71 K HA 0.185 4.505 4.320 0.001 0.000 0.291 71 K C -1.124 175.495 176.600 0.032 0.000 1.074 71 K CA -0.226 56.107 56.287 0.077 0.000 0.936 71 K CB 0.105 32.641 32.500 0.059 0.000 1.049 71 K HN 0.577 8.827 8.250 -0.000 0.000 0.471 72 Y N 3.507 123.822 120.300 0.024 0.000 2.504 72 Y HA 0.019 4.570 4.550 0.001 0.000 0.351 72 Y C 1.004 176.900 175.900 -0.008 0.000 0.988 72 Y CA 0.184 58.277 58.100 -0.013 0.000 1.239 72 Y CB 0.764 39.209 38.460 -0.025 0.000 1.128 72 Y HN 0.636 8.916 8.280 -0.000 0.000 0.525 73 T N -1.420 113.122 114.554 -0.020 0.000 2.880 73 T HA 0.336 4.686 4.350 0.001 0.000 0.279 73 T C 0.819 175.513 174.700 -0.009 0.000 0.990 73 T CA -0.200 61.904 62.100 0.008 0.000 0.938 73 T CB 1.065 69.927 68.868 -0.010 0.000 1.206 73 T HN 0.547 8.787 8.240 -0.000 0.000 0.573 74 S N -0.712 115.012 115.700 0.040 0.000 3.319 74 S HA -0.154 4.317 4.470 0.001 0.000 0.319 74 S C 1.387 176.064 174.600 0.128 0.000 1.236 74 S CA 1.539 59.800 58.200 0.101 0.000 0.964 74 S CB -2.089 61.192 63.200 0.134 0.000 1.040 74 S HN 2.298 10.608 8.310 -0.000 0.000 0.620 75 G N 0.031 108.884 108.800 0.089 0.000 2.162 75 G HA2 -0.322 3.639 3.960 0.001 0.000 0.260 75 G HA3 -0.322 3.639 3.960 0.001 0.000 0.260 75 G C 0.054 174.997 174.900 0.072 0.000 0.976 75 G CA 0.229 45.383 45.100 0.089 0.000 0.655 75 G HN 0.798 9.088 8.290 -0.000 0.000 0.533 76 I N 3.122 123.708 120.570 0.026 0.000 2.581 76 I HA 0.160 4.330 4.170 0.001 0.000 0.285 76 I C -1.214 174.886 176.117 -0.028 0.000 1.129 76 I CA -1.592 59.680 61.300 -0.047 0.000 1.397 76 I CB 0.454 38.294 38.000 -0.267 0.000 1.399 76 I HN -0.034 8.176 8.210 -0.000 0.000 0.537 77 P HA -0.092 4.328 4.420 -0.000 0.000 0.262 77 P C -0.638 176.437 177.300 -0.376 0.000 1.182 77 P CA 0.083 63.093 63.100 -0.151 0.000 0.761 77 P CB 0.575 32.218 31.700 -0.097 0.000 0.795 78 D N 2.612 122.716 120.400 -0.494 0.000 2.441 78 D HA 0.011 4.651 4.640 0.001 0.000 0.221 78 D C 0.904 176.848 176.300 -0.594 0.000 1.156 78 D CA -0.604 52.855 54.000 -0.903 0.000 0.896 78 D CB -0.153 40.243 40.800 -0.674 0.000 1.028 78 D HN 0.317 8.687 8.370 -0.000 0.000 0.509 79 Y N 3.702 123.496 120.300 -0.842 0.000 2.256 79 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 79 Y C 1.125 176.454 175.900 -0.952 0.000 1.155 79 Y CA 1.733 59.311 58.100 -0.870 0.000 1.203 79 Y CB -0.032 37.786 38.460 -1.070 0.000 0.980 79 Y HN 0.374 8.654 8.280 -0.000 0.000 0.530 80 F N -0.340 119.326 119.950 -0.473 0.000 2.149 80 F HA -0.054 4.473 4.527 0.001 0.000 0.294 80 F C 2.223 177.750 175.800 -0.454 0.000 1.095 80 F CA 1.126 58.748 58.000 -0.631 0.000 1.276 80 F CB -0.509 38.152 39.000 -0.565 0.000 1.023 80 F HN -0.241 8.059 8.300 -0.000 0.000 0.480 81 K N 0.459 120.822 120.400 -0.063 0.000 2.097 81 K HA -0.144 4.176 4.320 0.001 0.000 0.206 81 K C 1.913 178.514 176.600 0.002 0.000 1.049 81 K CA 1.092 57.442 56.287 0.105 0.000 0.933 81 K CB -0.350 32.202 32.500 0.086 0.000 0.717 81 K HN 0.290 8.540 8.250 -0.000 0.000 0.442 82 Q N -0.421 119.276 119.800 -0.171 0.000 2.291 82 Q HA -0.074 4.266 4.340 0.001 0.000 0.206 82 Q C 1.790 177.665 176.000 -0.208 0.000 0.976 82 Q CA 1.225 56.927 55.803 -0.169 0.000 0.875 82 Q CB 0.068 28.662 28.738 -0.240 0.000 0.927 82 Q HN 0.195 8.465 8.270 -0.000 0.000 0.450 83 S N 0.145 115.629 115.700 -0.360 0.000 2.428 83 S HA -0.019 4.452 4.470 0.001 0.000 0.230 83 S C 0.396 174.863 174.600 -0.220 0.000 1.014 83 S CA 0.414 58.405 58.200 -0.349 0.000 0.957 83 S CB -0.064 62.901 63.200 -0.391 0.000 0.784 83 S HN 0.204 8.514 8.310 -0.000 0.000 0.499 84 F N 2.265 122.255 119.950 0.067 0.000 2.450 84 F HA 0.163 4.691 4.527 0.001 0.000 0.339 84 F C -0.721 175.097 175.800 0.030 0.000 1.146 84 F CA -1.966 56.071 58.000 0.062 0.000 1.267 84 F CB 0.188 39.233 39.000 0.075 0.000 1.178 84 F HN -0.018 8.282 8.300 -0.000 0.000 0.585 85 P HA -0.093 4.327 4.420 -0.000 0.000 0.222 85 P C 0.792 178.233 177.300 0.235 0.000 1.153 85 P CA 1.142 64.400 63.100 0.262 0.000 0.798 85 P CB 0.213 31.992 31.700 0.132 0.000 0.796 86 E N 0.510 120.788 120.200 0.130 0.000 2.086 86 E HA -0.013 4.337 4.350 0.001 0.000 0.200 86 E C 1.490 178.139 176.600 0.082 0.000 1.012 86 E CA 1.815 58.261 56.400 0.077 0.000 0.812 86 E CB -0.978 28.739 29.700 0.029 0.000 0.743 86 E HN 0.423 8.783 8.360 -0.000 0.000 0.453 87 G N -1.081 107.750 108.800 0.051 0.000 2.512 87 G HA2 0.043 4.003 3.960 0.001 0.000 0.210 87 G HA3 0.043 4.003 3.960 0.001 0.000 0.210 87 G C -0.474 174.434 174.900 0.014 0.000 1.295 87 G CA -0.459 44.614 45.100 -0.046 0.000 0.934 87 G HN 0.512 8.802 8.290 -0.000 0.000 0.554 88 F N -2.782 117.166 119.950 -0.004 0.000 2.926 88 F HA 0.873 5.400 4.527 0.001 0.000 0.321 88 F C -0.155 175.717 175.800 0.121 0.000 1.168 88 F CA -0.102 57.927 58.000 0.049 0.000 0.890 88 F CB 1.172 40.214 39.000 0.069 0.000 1.357 88 F HN 1.545 9.845 8.300 -0.000 0.000 0.468 89 T N -1.460 113.367 114.554 0.456 0.000 2.883 89 T HA 0.780 5.130 4.350 0.001 0.000 0.296 89 T C -1.716 173.279 174.700 0.492 0.000 1.117 89 T CA -0.595 61.669 62.100 0.274 0.000 1.006 89 T CB 2.481 71.400 68.868 0.084 0.000 1.191 89 T HN 1.467 9.707 8.240 -0.000 0.000 0.508 90 W N 0.816 122.243 121.300 0.211 0.000 3.118 90 W HA 0.742 5.402 4.660 0.001 0.000 0.328 90 W C -1.476 175.028 176.519 -0.025 0.000 1.239 90 W CA -1.007 56.395 57.345 0.094 0.000 1.176 90 W CB 1.076 30.614 29.460 0.129 0.000 1.433 90 W HN 1.066 9.246 8.180 -0.000 0.000 0.562 91 E N 2.044 122.390 120.200 0.243 0.000 2.340 91 E HA 0.788 5.138 4.350 0.001 0.000 0.273 91 E C -1.409 175.293 176.600 0.169 0.000 0.891 91 E CA -1.115 55.348 56.400 0.105 0.000 0.757 91 E CB 3.633 33.340 29.700 0.011 0.000 1.231 91 E HN 0.572 8.932 8.360 -0.000 0.000 0.439 92 R N 1.126 121.725 120.500 0.165 0.000 2.664 92 R HA 0.400 4.740 4.340 0.001 0.000 0.266 92 R C -1.692 174.658 176.300 0.084 0.000 1.046 92 R CA -0.409 55.759 56.100 0.113 0.000 0.885 92 R CB 2.552 32.965 30.300 0.189 0.000 1.254 92 R HN 0.659 8.929 8.270 -0.000 0.000 0.465 93 T N 1.716 116.287 114.554 0.029 0.000 2.848 93 T HA 0.394 4.744 4.350 0.001 0.000 0.285 93 T C -1.126 173.576 174.700 0.004 0.000 0.995 93 T CA -0.374 61.757 62.100 0.051 0.000 0.970 93 T CB 1.776 70.678 68.868 0.056 0.000 0.976 93 T HN 0.475 8.715 8.240 -0.000 0.000 0.441 94 T N 3.665 118.242 114.554 0.039 0.000 2.772 94 T HA 0.520 4.871 4.350 0.001 0.000 0.288 94 T C -0.216 174.419 174.700 -0.108 0.000 0.994 94 T CA -0.476 61.589 62.100 -0.059 0.000 0.951 94 T CB 0.181 69.036 68.868 -0.021 0.000 0.933 94 T HN 0.303 8.543 8.240 -0.000 0.000 0.447 95 I N 4.003 124.438 120.570 -0.225 0.000 2.307 95 I HA 0.323 4.494 4.170 0.001 0.000 0.289 95 I C -0.367 175.542 176.117 -0.346 0.000 1.021 95 I CA -0.645 60.436 61.300 -0.364 0.000 1.224 95 I CB 0.208 38.048 38.000 -0.267 0.000 1.376 95 I HN 0.535 8.745 8.210 -0.000 0.000 0.470 96 Y N 4.025 124.123 120.300 -0.337 0.000 2.301 96 Y HA 0.148 4.698 4.550 0.001 0.000 0.325 96 Y C 1.720 177.508 175.900 -0.187 0.000 1.203 96 Y CA -0.364 57.626 58.100 -0.183 0.000 1.255 96 Y CB 0.963 39.308 38.460 -0.192 0.000 1.232 96 Y HN 0.695 8.975 8.280 -0.000 0.000 0.501 97 E N -0.184 120.050 120.200 0.057 0.000 2.265 97 E HA -0.204 4.146 4.350 0.001 0.000 0.196 97 E C 0.206 176.812 176.600 0.010 0.000 0.996 97 E CA 1.507 57.920 56.400 0.020 0.000 0.832 97 E CB -0.171 29.554 29.700 0.041 0.000 0.756 97 E HN 0.731 9.091 8.360 -0.000 0.000 0.491 98 D N -0.161 120.251 120.400 0.019 0.000 2.370 98 D HA 0.133 4.773 4.640 0.001 0.000 0.230 98 D C 1.145 177.413 176.300 -0.053 0.000 1.143 98 D CA 0.263 54.257 54.000 -0.009 0.000 0.834 98 D CB 0.323 41.124 40.800 0.001 0.000 0.944 98 D HN 0.349 8.719 8.370 -0.000 0.000 0.504 99 G N -0.846 107.899 108.800 -0.091 0.000 2.176 99 G HA2 -0.152 3.809 3.960 0.001 0.000 0.253 99 G HA3 -0.152 3.809 3.960 0.001 0.000 0.253 99 G C 0.466 175.249 174.900 -0.195 0.000 0.979 99 G CA 0.015 45.057 45.100 -0.097 0.000 0.641 99 G HN 0.835 9.125 8.290 -0.000 0.000 0.530 100 A N -0.500 122.083 122.820 -0.395 0.000 2.322 100 A HA 0.805 5.126 4.320 0.001 0.000 0.269 100 A C -0.532 176.704 177.584 -0.580 0.000 1.094 100 A CA -0.155 51.453 52.037 -0.714 0.000 0.807 100 A CB 0.635 18.551 19.000 -1.807 0.000 1.047 100 A HN 0.790 8.940 8.150 -0.000 0.000 0.487 101 Y N -0.265 119.845 120.300 -0.317 0.000 2.442 101 Y HA 0.611 5.161 4.550 0.001 0.000 0.344 101 Y C -0.440 175.510 175.900 0.083 0.000 0.976 101 Y CA -0.536 57.539 58.100 -0.042 0.000 1.040 101 Y CB 2.319 40.764 38.460 -0.025 0.000 1.228 101 Y HN 0.662 8.942 8.280 -0.000 0.000 0.451 102 L N 2.669 124.084 121.223 0.320 0.000 2.441 102 L HA 0.660 5.000 4.340 0.001 0.000 0.270 102 L C -1.152 175.853 176.870 0.224 0.000 0.973 102 L CA -0.110 54.925 54.840 0.325 0.000 0.842 102 L CB 1.641 43.965 42.059 0.441 0.000 1.239 102 L HN 0.656 8.886 8.230 -0.000 0.000 0.406 103 T N 2.232 116.888 114.554 0.171 0.000 2.859 103 T HA 0.647 4.997 4.350 0.001 0.000 0.281 103 T C -0.544 174.207 174.700 0.086 0.000 1.005 103 T CA -0.350 61.819 62.100 0.115 0.000 1.025 103 T CB 1.684 70.599 68.868 0.079 0.000 0.977 103 T HN 0.572 8.812 8.240 -0.000 0.000 0.458 104 T N 2.766 117.361 114.554 0.069 0.000 2.900 104 T HA 0.596 4.946 4.350 0.001 0.000 0.295 104 T C -1.093 173.520 174.700 -0.145 0.000 1.044 104 T CA -0.798 61.296 62.100 -0.011 0.000 0.995 104 T CB 1.939 70.854 68.868 0.078 0.000 1.072 104 T HN 0.466 8.706 8.240 -0.000 0.000 0.473 105 Q N 2.283 121.926 119.800 -0.262 0.000 2.292 105 Q HA 0.506 4.846 4.340 0.001 0.000 0.270 105 Q C -1.419 174.285 176.000 -0.493 0.000 1.024 105 Q CA -0.578 55.034 55.803 -0.319 0.000 0.768 105 Q CB 1.504 30.141 28.738 -0.169 0.000 1.250 105 Q HN 0.553 8.823 8.270 -0.000 0.000 0.447 106 Q N 2.699 122.038 119.800 -0.768 0.000 2.372 106 Q HA 0.433 4.773 4.340 0.001 0.000 0.273 106 Q C -1.512 174.201 176.000 -0.478 0.000 1.078 106 Q CA -0.445 54.885 55.803 -0.788 0.000 0.806 106 Q CB 2.137 29.955 28.738 -1.533 0.000 1.332 106 Q HN 0.890 9.160 8.270 -0.000 0.000 0.435 107 E N 1.587 121.629 120.200 -0.263 0.000 2.210 107 E HA 0.499 4.850 4.350 0.001 0.000 0.266 107 E C -1.445 175.092 176.600 -0.105 0.000 0.883 107 E CA -0.381 55.932 56.400 -0.145 0.000 0.761 107 E CB 1.707 31.359 29.700 -0.079 0.000 1.156 107 E HN 0.493 8.853 8.360 -0.000 0.000 0.412 108 T N 4.692 119.122 114.554 -0.206 0.000 2.812 108 T HA 0.387 4.738 4.350 0.001 0.000 0.282 108 T C -0.945 173.660 174.700 -0.157 0.000 0.990 108 T CA -0.841 61.140 62.100 -0.198 0.000 0.960 108 T CB 0.968 69.451 68.868 -0.642 0.000 0.948 108 T HN 0.471 8.711 8.240 -0.000 0.000 0.438 109 K N 1.828 122.250 120.400 0.037 0.000 2.443 109 K HA 0.772 5.093 4.320 0.001 0.000 0.251 109 K C -1.588 175.072 176.600 0.100 0.000 0.972 109 K CA -1.203 55.136 56.287 0.086 0.000 0.833 109 K CB 1.819 34.347 32.500 0.048 0.000 1.317 109 K HN 0.336 8.586 8.250 -0.000 0.000 0.441 110 L N 2.247 123.528 121.223 0.097 0.000 2.295 110 L HA 0.331 4.672 4.340 0.001 0.000 0.281 110 L C -1.275 175.575 176.870 -0.033 0.000 1.018 110 L CA -0.050 54.752 54.840 -0.064 0.000 0.841 110 L CB 0.970 42.860 42.059 -0.282 0.000 1.218 110 L HN 0.774 9.004 8.230 -0.000 0.000 0.424 111 D N 4.624 125.000 120.400 -0.040 0.000 2.485 111 D HA 0.528 5.169 4.640 0.001 0.000 0.221 111 D C 0.881 177.159 176.300 -0.036 0.000 1.112 111 D CA 0.987 54.974 54.000 -0.022 0.000 0.911 111 D CB 0.542 41.337 40.800 -0.008 0.000 1.019 111 D HN 0.852 9.222 8.370 -0.000 0.000 0.516 112 G N 4.650 113.429 108.800 -0.034 0.000 2.557 112 G HA2 -0.345 3.616 3.960 0.001 0.000 0.292 112 G HA3 -0.345 3.616 3.960 0.001 0.000 0.292 112 G C 0.611 175.475 174.900 -0.060 0.000 1.162 112 G CA 0.306 45.385 45.100 -0.036 0.000 0.964 112 G HN 0.643 8.933 8.290 -0.000 0.000 0.541 113 N N 0.804 119.471 118.700 -0.057 0.000 2.328 113 N HA 0.273 5.013 4.740 0.001 0.000 0.247 113 N C -0.286 175.174 175.510 -0.084 0.000 1.165 113 N CA 0.770 53.778 53.050 -0.069 0.000 0.873 113 N CB 0.142 38.603 38.487 -0.043 0.000 1.125 113 N HN 0.918 9.298 8.380 -0.000 0.000 0.513 114 C N 1.598 120.843 119.300 -0.092 0.000 2.344 114 C HA 0.519 4.979 4.460 0.001 0.000 0.326 114 C C -0.005 174.907 174.990 -0.131 0.000 1.201 114 C CA -0.895 58.062 59.018 -0.102 0.000 1.410 114 C CB -0.511 27.187 27.740 -0.070 0.000 2.070 114 C HN 0.347 8.577 8.230 -0.000 0.000 0.445 115 L N 6.200 127.313 121.223 -0.182 0.000 2.367 115 L HA 0.479 4.820 4.340 0.001 0.000 0.275 115 L C -0.210 176.494 176.870 -0.278 0.000 1.129 115 L CA -0.050 54.668 54.840 -0.203 0.000 0.839 115 L CB 1.261 43.190 42.059 -0.217 0.000 1.133 115 L HN 0.450 8.680 8.230 -0.000 0.000 0.453 116 V N 4.430 124.267 119.914 -0.129 0.000 2.448 116 V HA 0.354 4.474 4.120 0.001 0.000 0.295 116 V C -0.609 175.567 176.094 0.136 0.000 1.025 116 V CA -0.587 61.678 62.300 -0.059 0.000 0.859 116 V CB 1.329 33.190 31.823 0.064 0.000 0.988 116 V HN 0.440 8.630 8.190 -0.000 0.000 0.431 117 Y N 3.316 123.649 120.300 0.056 0.000 2.331 117 Y HA 0.490 5.040 4.550 0.001 0.000 0.338 117 Y C 0.463 176.420 175.900 0.094 0.000 0.992 117 Y CA -0.999 57.132 58.100 0.051 0.000 1.121 117 Y CB 1.722 40.217 38.460 0.059 0.000 1.184 117 Y HN 0.528 8.808 8.280 -0.000 0.000 0.469 118 N N 5.230 124.050 118.700 0.200 0.000 2.443 118 N HA 0.460 5.200 4.740 0.001 0.000 0.269 118 N C -1.226 174.289 175.510 0.008 0.000 0.985 118 N CA -0.334 52.796 53.050 0.134 0.000 0.921 118 N CB 2.023 40.553 38.487 0.071 0.000 1.195 118 N HN 0.593 8.973 8.380 -0.000 0.000 0.492 119 I N 1.581 122.166 120.570 0.026 0.000 2.433 119 I HA 0.364 4.534 4.170 0.001 0.000 0.292 119 I C -0.006 176.080 176.117 -0.052 0.000 1.001 119 I CA -0.645 60.619 61.300 -0.061 0.000 1.119 119 I CB 1.847 39.843 38.000 -0.005 0.000 1.289 119 I HN 0.040 8.250 8.210 -0.000 0.000 0.438 120 K N 6.822 127.161 120.400 -0.103 0.000 2.292 120 K HA 0.760 5.080 4.320 0.001 0.000 0.257 120 K C -1.153 175.407 176.600 -0.068 0.000 0.940 120 K CA -0.592 55.647 56.287 -0.080 0.000 0.811 120 K CB 2.656 35.107 32.500 -0.081 0.000 1.120 120 K HN 0.482 8.732 8.250 -0.000 0.000 0.428 121 I N 3.651 124.191 120.570 -0.050 0.000 2.686 121 I HA 0.405 4.575 4.170 0.001 0.000 0.295 121 I C -1.174 174.952 176.117 0.014 0.000 1.114 121 I CA -0.891 60.413 61.300 0.006 0.000 1.038 121 I CB 1.974 40.023 38.000 0.082 0.000 1.238 121 I HN 0.356 8.566 8.210 -0.000 0.000 0.420 122 L N 4.696 125.957 121.223 0.063 0.000 2.439 122 L HA 0.685 5.025 4.340 0.001 0.000 0.270 122 L C -0.250 176.705 176.870 0.143 0.000 0.972 122 L CA -0.434 54.456 54.840 0.083 0.000 0.836 122 L CB 2.071 44.163 42.059 0.054 0.000 1.255 122 L HN 0.708 8.938 8.230 -0.000 0.000 0.404 123 G N 1.519 110.428 108.800 0.182 0.000 2.482 123 G HA2 0.733 4.694 3.960 0.001 0.000 0.317 123 G HA3 0.733 4.694 3.960 0.001 0.000 0.317 123 G C -0.915 174.162 174.900 0.294 0.000 1.241 123 G CA -0.547 44.730 45.100 0.296 0.000 0.967 123 G HN 0.817 9.107 8.290 -0.000 0.000 0.482 124 C N 0.114 119.609 119.300 0.326 0.000 3.288 124 C HA 0.736 5.197 4.460 0.001 0.000 0.318 124 C C 0.284 175.357 174.990 0.139 0.000 1.356 124 C CA -1.034 58.121 59.018 0.228 0.000 1.359 124 C CB 1.327 29.146 27.740 0.131 0.000 1.688 124 C HN 0.856 9.086 8.230 -0.000 0.000 0.467 125 N N -0.883 117.892 118.700 0.125 0.000 2.714 125 N HA -0.181 4.559 4.740 0.001 0.000 0.250 125 N C -0.728 174.767 175.510 -0.026 0.000 1.117 125 N CA 1.172 54.255 53.050 0.056 0.000 0.719 125 N CB -1.596 36.926 38.487 0.060 0.000 1.081 125 N HN 0.813 9.193 8.380 -0.000 0.000 0.557 126 F N 2.054 121.996 119.950 -0.014 0.000 2.504 126 F HA 0.205 4.732 4.527 0.001 0.000 0.369 126 F C -1.206 174.572 175.800 -0.036 0.000 1.082 126 F CA -1.524 56.433 58.000 -0.073 0.000 1.216 126 F CB 0.326 39.236 39.000 -0.149 0.000 1.108 126 F HN -0.093 8.207 8.300 -0.000 0.000 0.554 127 P HA 0.011 4.431 4.420 -0.000 0.000 0.267 127 P C -2.059 175.288 177.300 0.079 0.000 1.205 127 P CA -1.162 61.977 63.100 0.065 0.000 0.765 127 P CB 0.619 32.338 31.700 0.032 0.000 0.828 128 P HA -0.132 4.288 4.420 -0.000 0.000 0.222 128 P C 0.571 177.896 177.300 0.043 0.000 1.147 128 P CA 1.273 64.409 63.100 0.060 0.000 0.790 128 P CB 0.230 31.963 31.700 0.055 0.000 0.780 129 N N -0.407 118.315 118.700 0.036 0.000 2.230 129 N HA 0.089 4.829 4.740 0.001 0.000 0.202 129 N C 1.157 176.680 175.510 0.021 0.000 1.119 129 N CA 0.168 53.233 53.050 0.025 0.000 0.851 129 N CB 0.465 38.964 38.487 0.020 0.000 0.990 129 N HN 0.130 8.510 8.380 -0.000 0.000 0.497 130 G N 1.750 110.567 108.800 0.028 0.000 2.599 130 G HA2 0.166 4.126 3.960 0.001 0.000 0.264 130 G HA3 0.166 4.126 3.960 0.001 0.000 0.264 130 G C -1.153 173.754 174.900 0.012 0.000 1.200 130 G CA -0.780 44.333 45.100 0.022 0.000 0.896 130 G HN -0.051 8.239 8.290 -0.000 0.000 0.536 131 P HA -0.061 4.359 4.420 -0.000 0.000 0.220 131 P C 1.105 178.389 177.300 -0.026 0.000 1.148 131 P CA 0.331 63.420 63.100 -0.019 0.000 0.803 131 P CB 0.119 31.799 31.700 -0.033 0.000 0.782 135 K N 0.936 121.331 120.400 -0.009 0.000 3.393 135 K HA -0.197 4.123 4.320 0.001 0.000 0.272 135 K C 0.178 176.767 176.600 -0.017 0.000 1.004 135 K CA 0.696 56.976 56.287 -0.011 0.000 0.764 135 K CB -0.965 31.527 32.500 -0.014 0.000 1.373 135 K HN 0.012 8.262 8.250 -0.000 0.000 0.458 136 K N 0.213 120.596 120.400 -0.028 0.000 2.469 136 K HA 0.049 4.369 4.320 0.001 0.000 0.204 136 K C 0.205 176.770 176.600 -0.058 0.000 1.047 136 K CA 0.358 56.623 56.287 -0.036 0.000 1.072 136 K CB 1.042 33.522 32.500 -0.032 0.000 0.863 136 K HN 0.519 8.769 8.250 -0.000 0.000 0.530 137 T N -1.670 112.841 114.554 -0.071 0.000 2.922 137 T HA 0.344 4.695 4.350 0.001 0.000 0.285 137 T C 0.276 174.918 174.700 -0.098 0.000 1.005 137 T CA -0.662 61.367 62.100 -0.118 0.000 1.061 137 T CB 1.386 70.147 68.868 -0.178 0.000 1.007 137 T HN 0.067 8.307 8.240 -0.000 0.000 0.502 138 Q N 0.888 120.617 119.800 -0.120 0.000 2.333 138 Q HA 0.493 4.834 4.340 0.001 0.000 0.365 138 Q C 0.427 176.386 176.000 -0.069 0.000 0.882 138 Q CA -0.688 55.073 55.803 -0.071 0.000 1.124 138 Q CB 0.832 29.535 28.738 -0.058 0.000 1.345 138 Q HN 1.310 9.580 8.270 -0.000 0.000 0.409 139 G N 0.388 109.115 108.800 -0.121 0.000 2.699 139 G HA2 -0.205 3.756 3.960 0.001 0.000 0.686 139 G HA3 -0.205 3.756 3.960 0.001 0.000 0.686 139 G C -1.210 173.588 174.900 -0.170 0.000 1.301 139 G CA -1.115 43.935 45.100 -0.084 0.000 0.816 139 G HN 0.249 8.539 8.290 -0.000 0.000 0.595 140 W N 0.182 121.526 121.300 0.073 0.000 2.375 140 W HA 0.630 5.290 4.660 0.001 0.000 0.336 140 W C 0.612 177.159 176.519 0.046 0.000 1.160 140 W CA -0.230 57.155 57.345 0.067 0.000 1.266 140 W CB 1.062 30.550 29.460 0.048 0.000 1.195 140 W HN 0.790 8.970 8.180 -0.000 0.000 0.599 141 E N 3.138 123.539 120.200 0.335 0.000 2.318 141 E HA 0.330 4.680 4.350 0.001 0.000 0.265 141 E C -1.988 174.692 176.600 0.134 0.000 1.069 141 E CA -1.953 54.563 56.400 0.194 0.000 0.893 141 E CB 0.483 30.283 29.700 0.166 0.000 1.076 141 E HN -0.029 8.331 8.360 -0.000 0.000 0.414 142 P HA 0.071 4.491 4.420 -0.000 0.000 0.271 142 P C -0.492 176.803 177.300 -0.008 0.000 1.244 142 P CA -0.348 62.736 63.100 -0.028 0.000 0.793 142 P CB 0.389 32.072 31.700 -0.028 0.000 0.984 143 C N -1.740 117.545 119.300 -0.026 0.000 3.323 143 C HA 0.745 5.206 4.460 0.001 0.000 0.324 143 C C -0.736 174.264 174.990 0.016 0.000 1.428 143 C CA -0.790 58.229 59.018 0.002 0.000 1.368 143 C CB 1.266 29.008 27.740 0.003 0.000 1.731 143 C HN 0.775 9.005 8.230 -0.000 0.000 0.455 144 C N 1.793 121.105 119.300 0.020 0.000 2.383 144 C HA 0.679 5.140 4.460 0.001 0.000 0.330 144 C C -0.085 174.946 174.990 0.070 0.000 1.168 144 C CA 0.187 59.232 59.018 0.045 0.000 1.374 144 C CB -0.387 27.370 27.740 0.030 0.000 2.014 144 C HN 1.090 9.320 8.230 -0.000 0.000 0.439 148 Y N -1.986 118.077 120.300 -0.396 0.000 2.558 148 Y HA 0.544 5.094 4.550 0.001 0.000 0.333 148 Y C -0.345 175.485 175.900 -0.116 0.000 1.125 148 Y CA -1.213 56.777 58.100 -0.183 0.000 1.039 148 Y CB 1.148 39.614 38.460 0.011 0.000 1.331 148 Y HN 0.568 8.848 8.280 -0.000 0.000 0.456 149 T N 0.452 115.012 114.554 0.009 0.000 2.882 149 T HA 0.698 5.048 4.350 0.001 0.000 0.287 149 T C -0.452 174.274 174.700 0.043 0.000 1.014 149 T CA -0.632 61.428 62.100 -0.067 0.000 1.049 149 T CB 1.674 70.517 68.868 -0.042 0.000 1.001 149 T HN 1.016 9.256 8.240 -0.000 0.000 0.525 150 R N 0.996 121.488 120.500 -0.014 0.000 2.647 150 R HA 0.232 4.573 4.340 0.001 0.000 0.260 150 R C -1.442 174.859 176.300 0.001 0.000 1.154 150 R CA -0.382 55.739 56.100 0.035 0.000 1.029 150 R CB 0.808 31.161 30.300 0.087 0.000 1.262 150 R HN 0.840 9.110 8.270 -0.000 0.000 0.437 151 D N 3.336 123.744 120.400 0.014 0.000 2.686 151 D HA -0.190 4.450 4.640 0.001 0.000 0.235 151 D C 0.748 177.051 176.300 0.005 0.000 1.160 151 D CA 2.144 56.150 54.000 0.009 0.000 0.645 151 D CB -0.965 39.841 40.800 0.009 0.000 1.039 151 D HN 1.093 9.463 8.370 -0.000 0.000 0.423 152 G N -2.183 106.620 108.800 0.004 0.000 2.189 152 G HA2 -0.256 3.704 3.960 0.001 0.000 0.267 152 G HA3 -0.256 3.704 3.960 0.001 0.000 0.267 152 G C 0.518 175.426 174.900 0.014 0.000 0.975 152 G CA 1.302 46.410 45.100 0.014 0.000 0.644 152 G HN 1.256 9.546 8.290 -0.000 0.000 0.537 153 V N -3.074 116.817 119.914 -0.038 0.000 3.164 153 V HA 0.932 5.052 4.120 0.001 0.000 0.313 153 V C -0.086 175.834 176.094 -0.290 0.000 1.188 153 V CA -1.343 60.900 62.300 -0.096 0.000 1.058 153 V CB 2.026 33.827 31.823 -0.037 0.000 1.110 153 V HN 0.827 9.017 8.190 -0.000 0.000 0.453 154 L N 1.203 122.129 121.223 -0.494 0.000 2.305 154 L HA 0.778 5.118 4.340 0.001 0.000 0.284 154 L C -0.310 176.377 176.870 -0.306 0.000 1.013 154 L CA 0.139 54.645 54.840 -0.557 0.000 0.819 154 L CB 0.657 42.103 42.059 -1.020 0.000 1.227 154 L HN 0.990 9.220 8.230 -0.000 0.000 0.417 155 C N 2.823 121.836 119.300 -0.478 0.000 2.358 155 C HA 0.982 5.443 4.460 0.001 0.000 0.354 155 C C 0.632 175.268 174.990 -0.591 0.000 1.183 155 C CA -0.373 58.309 59.018 -0.560 0.000 2.150 155 C CB 0.966 28.233 27.740 -0.788 0.000 2.361 155 C HN 1.000 9.230 8.230 -0.000 0.000 0.535 156 G N 0.676 109.261 108.800 -0.359 0.000 2.696 156 G HA2 0.658 4.618 3.960 0.001 0.000 0.295 156 G HA3 0.658 4.618 3.960 0.001 0.000 0.295 156 G C -2.097 172.762 174.900 -0.069 0.000 1.398 156 G CA -0.247 44.752 45.100 -0.169 0.000 0.920 156 G HN 0.692 8.982 8.290 -0.000 0.000 0.492 157 Q N -0.159 119.664 119.800 0.038 0.000 2.315 157 Q HA 0.649 4.990 4.340 0.001 0.000 0.273 157 Q C -1.341 174.717 176.000 0.096 0.000 1.053 157 Q CA -0.742 55.141 55.803 0.133 0.000 0.817 157 Q CB 2.983 31.891 28.738 0.283 0.000 1.326 157 Q HN 0.580 8.850 8.270 -0.000 0.000 0.423 158 T N 1.616 116.231 114.554 0.101 0.000 2.916 158 T HA 0.607 4.958 4.350 0.001 0.000 0.305 158 T C -0.563 174.160 174.700 0.038 0.000 1.119 158 T CA -0.633 61.487 62.100 0.034 0.000 1.008 158 T CB 1.234 70.083 68.868 -0.031 0.000 1.129 158 T HN 0.331 8.571 8.240 -0.000 0.000 0.480 162 L N 2.381 123.636 121.223 0.055 0.000 2.305 162 L HA 0.365 4.706 4.340 0.001 0.000 0.281 162 L C 0.286 177.090 176.870 -0.110 0.000 1.085 162 L CA -0.456 54.174 54.840 -0.349 0.000 0.813 162 L CB 1.327 43.023 42.059 -0.606 0.000 1.157 162 L HN 0.737 8.967 8.230 -0.000 0.000 0.436 163 K N 2.514 122.816 120.400 -0.163 0.000 2.297 163 K HA 0.285 4.606 4.320 0.001 0.000 0.286 163 K C -0.810 175.656 176.600 -0.223 0.000 1.053 163 K CA -0.434 55.701 56.287 -0.253 0.000 0.940 163 K CB 0.817 33.215 32.500 -0.171 0.000 1.019 163 K HN 0.507 8.757 8.250 -0.000 0.000 0.475 164 C N 1.917 121.077 119.300 -0.232 0.000 2.358 164 C HA 0.385 4.845 4.460 0.001 0.000 0.354 164 C C 2.013 176.929 174.990 -0.124 0.000 1.183 164 C CA -0.606 58.324 59.018 -0.147 0.000 2.150 164 C CB 1.053 28.726 27.740 -0.111 0.000 2.361 164 C HN 1.007 9.237 8.230 -0.000 0.000 0.535 165 A N 1.744 124.513 122.820 -0.085 0.000 1.908 165 A HA -0.202 4.118 4.320 0.001 0.000 0.218 165 A C 1.759 179.307 177.584 -0.060 0.000 1.181 165 A CA 2.449 54.447 52.037 -0.064 0.000 0.627 165 A CB -0.629 18.344 19.000 -0.045 0.000 0.818 165 A HN 0.977 9.127 8.150 -0.000 0.000 0.445 166 D N -2.072 118.294 120.400 -0.057 0.000 2.392 166 D HA 0.222 4.863 4.640 0.001 0.000 0.228 166 D C 1.216 177.482 176.300 -0.056 0.000 1.003 166 D CA 1.339 55.312 54.000 -0.046 0.000 0.917 166 D CB -0.560 40.220 40.800 -0.034 0.000 0.890 166 D HN 0.914 9.284 8.370 -0.000 0.000 0.532 167 G N -0.655 108.092 108.800 -0.089 0.000 2.232 167 G HA2 -0.268 3.692 3.960 0.001 0.000 0.226 167 G HA3 -0.268 3.692 3.960 0.001 0.000 0.226 167 G C 0.418 175.227 174.900 -0.152 0.000 0.996 167 G CA -0.026 45.010 45.100 -0.107 0.000 0.626 167 G HN 0.406 8.696 8.290 -0.000 0.000 0.509 168 N N 0.577 119.207 118.700 -0.118 0.000 2.294 168 N HA 0.360 5.100 4.740 0.001 0.000 0.248 168 N C -0.439 174.947 175.510 -0.207 0.000 1.300 168 N CA 0.294 53.294 53.050 -0.084 0.000 0.925 168 N CB 0.133 38.605 38.487 -0.024 0.000 1.188 168 N HN 0.374 8.754 8.380 -0.000 0.000 0.512 169 H N 0.353 119.423 119.070 -0.001 0.000 2.600 169 H HA 0.317 4.873 4.556 0.001 0.000 0.357 169 H C -0.826 174.510 175.328 0.014 0.000 1.106 169 H CA -0.615 55.433 56.048 0.001 0.000 1.193 169 H CB 2.067 31.838 29.762 0.015 0.000 1.594 169 H HN 0.245 8.525 8.280 -0.000 0.000 0.526 170 L N 3.517 124.819 121.223 0.132 0.000 2.280 170 L HA 0.274 4.614 4.340 0.001 0.000 0.287 170 L C 0.326 177.303 176.870 0.179 0.000 1.023 170 L CA -0.301 54.616 54.840 0.128 0.000 0.819 170 L CB 1.016 43.135 42.059 0.100 0.000 1.212 170 L HN 0.692 8.922 8.230 -0.000 0.000 0.420 171 T N 1.742 116.388 114.554 0.154 0.000 2.934 171 T HA 0.776 5.126 4.350 0.001 0.000 0.283 171 T C 0.016 174.758 174.700 0.070 0.000 1.005 171 T CA -0.309 61.867 62.100 0.127 0.000 1.041 171 T CB 1.320 70.227 68.868 0.065 0.000 1.042 171 T HN 0.949 9.189 8.240 -0.000 0.000 0.505 172 C N 0.766 120.059 119.300 -0.012 0.000 3.288 172 C HA 0.832 5.292 4.460 0.001 0.000 0.318 172 C C -1.194 173.749 174.990 -0.078 0.000 1.356 172 C CA -0.997 57.897 59.018 -0.207 0.000 1.359 172 C CB 0.689 27.989 27.740 -0.734 0.000 1.688 172 C HN 1.203 9.433 8.230 -0.000 0.000 0.467 173 H N 1.013 119.955 119.070 -0.214 0.000 2.589 173 H HA 0.807 5.363 4.556 0.001 0.000 0.335 173 H C -1.584 173.660 175.328 -0.141 0.000 1.019 173 H CA -0.908 55.059 56.048 -0.135 0.000 1.213 173 H CB 1.094 30.803 29.762 -0.087 0.000 1.472 173 H HN 0.692 8.972 8.280 -0.000 0.000 0.508 174 L N 5.707 126.993 121.223 0.103 0.000 2.295 174 L HA 0.496 4.836 4.340 0.001 0.000 0.285 174 L C 0.129 176.915 176.870 -0.140 0.000 1.035 174 L CA -0.398 54.389 54.840 -0.089 0.000 0.806 174 L CB 1.001 42.997 42.059 -0.105 0.000 1.214 174 L HN 0.535 8.765 8.230 -0.000 0.000 0.426 175 R N 2.371 122.748 120.500 -0.204 0.000 2.388 175 R HA 0.670 5.010 4.340 0.001 0.000 0.314 175 R C -1.021 175.185 176.300 -0.156 0.000 0.959 175 R CA -0.478 55.514 56.100 -0.179 0.000 0.851 175 R CB 1.260 31.435 30.300 -0.208 0.000 1.168 175 R HN 0.520 8.790 8.270 -0.000 0.000 0.472 176 T N 0.854 115.282 114.554 -0.210 0.000 2.908 176 T HA 0.486 4.836 4.350 0.001 0.000 0.290 176 T C -0.232 174.220 174.700 -0.414 0.000 1.034 176 T CA -0.540 61.351 62.100 -0.349 0.000 1.010 176 T CB 2.231 70.727 68.868 -0.619 0.000 1.068 176 T HN 0.310 8.550 8.240 -0.000 0.000 0.481 177 T N 2.309 116.621 114.554 -0.403 0.000 2.841 177 T HA 0.504 4.854 4.350 0.001 0.000 0.285 177 T C -1.348 173.179 174.700 -0.290 0.000 0.991 177 T CA -0.502 61.423 62.100 -0.291 0.000 0.966 177 T CB 0.410 69.205 68.868 -0.121 0.000 0.962 177 T HN 0.444 8.684 8.240 -0.000 0.000 0.438 178 Y N 2.169 122.476 120.300 0.013 0.000 2.331 178 Y HA 0.562 5.112 4.550 0.001 0.000 0.338 178 Y C 0.897 176.896 175.900 0.166 0.000 0.992 178 Y CA -1.066 57.130 58.100 0.161 0.000 1.121 178 Y CB 1.231 39.776 38.460 0.141 0.000 1.184 178 Y HN 0.292 8.572 8.280 -0.000 0.000 0.469 179 R N 1.937 122.686 120.500 0.415 0.000 2.371 179 R HA 0.357 4.697 4.340 0.001 0.000 0.312 179 R C -0.432 176.067 176.300 0.330 0.000 0.980 179 R CA -0.604 55.688 56.100 0.320 0.000 0.867 179 R CB 1.774 32.192 30.300 0.198 0.000 1.163 179 R HN 0.620 8.890 8.270 -0.000 0.000 0.492 180 S N 1.402 117.246 115.700 0.240 0.000 2.585 180 S HA 0.070 4.540 4.470 0.001 0.000 0.273 180 S C 0.881 175.505 174.600 0.040 0.000 1.339 180 S CA -0.205 57.987 58.200 -0.012 0.000 1.028 180 S CB 0.769 63.699 63.200 -0.450 0.000 0.906 180 S HN 0.597 8.907 8.310 -0.000 0.000 0.528 181 K N 1.302 121.716 120.400 0.024 0.000 2.444 181 K HA 0.155 4.475 4.320 0.001 0.000 0.193 181 K C 0.251 176.844 176.600 -0.012 0.000 1.024 181 K CA 0.374 56.674 56.287 0.021 0.000 1.077 181 K CB 0.190 32.707 32.500 0.028 0.000 0.833 181 K HN 0.446 8.696 8.250 -0.000 0.000 0.517 182 K N 0.634 121.000 120.400 -0.056 0.000 2.095 182 K HA 0.371 4.691 4.320 0.001 0.000 0.252 182 K C -0.461 176.110 176.600 -0.048 0.000 0.977 182 K CA -0.578 55.673 56.287 -0.060 0.000 0.900 182 K CB 1.592 34.030 32.500 -0.102 0.000 1.060 182 K HN -0.041 8.209 8.250 -0.000 0.000 0.449 183 A N 1.005 123.807 122.820 -0.030 0.000 2.407 183 A HA 0.314 4.634 4.320 0.001 0.000 0.248 183 A C 1.094 178.666 177.584 -0.020 0.000 1.082 183 A CA 0.339 52.367 52.037 -0.014 0.000 0.785 183 A CB 0.490 19.486 19.000 -0.007 0.000 1.020 183 A HN 0.889 9.039 8.150 -0.000 0.000 0.489 184 A N 1.690 124.512 122.820 0.002 0.000 2.076 184 A HA -0.157 4.164 4.320 0.001 0.000 0.220 184 A C 1.903 179.486 177.584 -0.001 0.000 1.160 184 A CA 1.957 54.001 52.037 0.012 0.000 0.653 184 A CB -0.486 18.532 19.000 0.031 0.000 0.801 184 A HN 0.895 9.045 8.150 -0.000 0.000 0.455 185 K N -0.166 120.231 120.400 -0.005 0.000 2.057 185 K HA -0.028 4.293 4.320 0.001 0.000 0.207 185 K C 1.737 178.328 176.600 -0.014 0.000 1.049 185 K CA 1.289 57.573 56.287 -0.006 0.000 0.931 185 K CB -0.289 32.208 32.500 -0.004 0.000 0.714 185 K HN 0.382 8.632 8.250 -0.000 0.000 0.440 186 A N 0.860 123.665 122.820 -0.024 0.000 2.327 186 A HA 0.168 4.488 4.320 0.001 0.000 0.228 186 A C -0.149 177.404 177.584 -0.052 0.000 1.275 186 A CA 0.085 52.103 52.037 -0.032 0.000 0.875 186 A CB -0.057 18.923 19.000 -0.032 0.000 0.925 186 A HN 0.016 8.166 8.150 -0.000 0.000 0.493 187 L N -1.306 119.885 121.223 -0.052 0.000 2.354 187 L HA 0.667 5.007 4.340 0.001 0.000 0.269 187 L C 0.430 177.277 176.870 -0.039 0.000 1.005 187 L CA -0.120 54.675 54.840 -0.074 0.000 0.819 187 L CB 1.297 43.291 42.059 -0.107 0.000 1.311 187 L HN 0.400 8.630 8.230 -0.000 0.000 0.423 191 P HA 0.290 4.710 4.420 -0.000 0.000 0.277 191 P C -0.289 177.222 177.300 0.352 0.000 1.271 191 P CA -0.470 62.774 63.100 0.240 0.000 0.795 191 P CB 0.692 32.545 31.700 0.256 0.000 1.101 192 F N 2.161 122.214 119.950 0.171 0.000 2.607 192 F HA 0.089 4.616 4.527 0.001 0.000 0.374 192 F C 0.929 176.827 175.800 0.164 0.000 1.104 192 F CA 1.073 59.133 58.000 0.100 0.000 1.296 192 F CB 0.208 39.204 39.000 -0.007 0.000 1.085 192 F HN 0.452 8.752 8.300 -0.000 0.000 0.584 193 H N 3.256 121.978 119.070 -0.580 0.000 2.883 193 H HA 0.410 4.966 4.556 0.001 0.000 0.277 193 H C -1.948 172.910 175.328 -0.783 0.000 1.451 193 H CA -1.221 54.565 56.048 -0.436 0.000 1.157 193 H CB 0.592 30.199 29.762 -0.258 0.000 1.851 193 H HN 0.491 8.771 8.280 -0.000 0.000 0.566 194 F N -0.118 119.745 119.950 -0.144 0.000 2.618 194 F HA 0.605 5.133 4.527 0.001 0.000 0.332 194 F C 0.361 176.067 175.800 -0.157 0.000 1.061 194 F CA -0.933 56.952 58.000 -0.191 0.000 0.974 194 F CB 2.293 41.262 39.000 -0.052 0.000 1.310 194 F HN 0.533 8.833 8.300 -0.000 0.000 0.491 195 S N 0.818 116.550 115.700 0.053 0.000 2.736 195 S HA 0.357 4.828 4.470 0.001 0.000 0.285 195 S C -1.640 172.961 174.600 0.002 0.000 1.163 195 S CA -0.836 57.340 58.200 -0.040 0.000 1.025 195 S CB 0.412 63.541 63.200 -0.118 0.000 1.030 195 S HN 0.514 8.824 8.310 -0.000 0.000 0.486 196 D N 2.905 123.305 120.400 0.001 0.000 2.304 196 D HA 0.331 4.971 4.640 0.001 0.000 0.247 196 D C -0.389 175.953 176.300 0.070 0.000 1.089 196 D CA 0.346 54.359 54.000 0.021 0.000 0.910 196 D CB 0.994 41.794 40.800 0.000 0.000 1.199 196 D HN 0.669 9.039 8.370 -0.000 0.000 0.426 197 H N 0.728 119.772 119.070 -0.043 0.000 2.865 197 H HA 0.387 4.944 4.556 0.001 0.000 0.362 197 H C -1.400 173.923 175.328 -0.009 0.000 1.114 197 H CA -0.781 55.239 56.048 -0.046 0.000 1.208 197 H CB 1.148 30.858 29.762 -0.088 0.000 1.727 197 H HN 0.255 8.535 8.280 -0.000 0.000 0.534 198 R N 6.017 126.289 120.500 -0.379 0.000 2.513 198 R HA 0.298 4.639 4.340 0.001 0.000 0.283 198 R C -3.016 173.089 176.300 -0.325 0.000 1.535 198 R CA -1.863 54.038 56.100 -0.332 0.000 1.315 198 R CB 1.072 31.338 30.300 -0.057 0.000 1.163 198 R HN 0.466 8.736 8.270 -0.000 0.000 0.573 199 P HA 0.188 4.608 4.420 -0.000 0.000 0.280 199 P C -1.202 176.169 177.300 0.118 0.000 1.244 199 P CA -0.092 62.975 63.100 -0.056 0.000 0.784 199 P CB 1.544 33.255 31.700 0.019 0.000 0.913 200 E N 2.186 122.507 120.200 0.200 0.000 2.343 200 E HA 0.484 4.835 4.350 0.001 0.000 0.278 200 E C -0.738 175.993 176.600 0.218 0.000 0.910 200 E CA -0.781 55.735 56.400 0.193 0.000 0.757 200 E CB 2.214 32.001 29.700 0.145 0.000 1.218 200 E HN 0.398 8.758 8.360 -0.000 0.000 0.435 201 I N 2.918 123.607 120.570 0.199 0.000 2.330 201 I HA 0.106 4.277 4.170 0.001 0.000 0.289 201 I C 1.028 177.229 176.117 0.140 0.000 1.001 201 I CA -0.409 61.016 61.300 0.207 0.000 1.193 201 I CB 1.388 39.540 38.000 0.253 0.000 1.345 201 I HN 0.452 8.662 8.210 -0.000 0.000 0.461 202 V N 2.509 122.493 119.914 0.117 0.000 3.660 202 V HA 0.341 4.462 4.120 0.001 0.000 0.276 202 V C 0.445 176.561 176.094 0.038 0.000 1.317 202 V CA 0.427 62.765 62.300 0.063 0.000 1.097 202 V CB -0.314 31.534 31.823 0.042 0.000 0.863 202 V HN 0.756 8.946 8.190 -0.000 0.000 0.438 203 K N -0.079 120.345 120.400 0.041 0.000 2.572 203 K HA 0.657 4.978 4.320 0.001 0.000 0.263 203 K C -2.178 174.376 176.600 -0.077 0.000 0.932 203 K CA -0.488 55.789 56.287 -0.016 0.000 0.838 203 K CB 2.944 35.428 32.500 -0.026 0.000 1.366 203 K HN -0.007 8.243 8.250 -0.000 0.000 0.425 204 V N 2.717 122.537 119.914 -0.156 0.000 2.638 204 V HA 0.624 4.744 4.120 0.001 0.000 0.306 204 V C -0.588 175.316 176.094 -0.315 0.000 1.052 204 V CA -0.415 61.667 62.300 -0.363 0.000 0.885 204 V CB 1.582 33.214 31.823 -0.318 0.000 0.999 204 V HN 1.002 9.192 8.190 -0.000 0.000 0.424 205 S N 2.007 117.469 115.700 -0.397 0.000 2.790 205 S HA 0.644 5.114 4.470 0.001 0.000 0.292 205 S C -0.447 173.991 174.600 -0.271 0.000 1.197 205 S CA -0.645 57.398 58.200 -0.262 0.000 0.851 205 S CB 1.589 64.682 63.200 -0.178 0.000 1.217 205 S HN 0.766 9.076 8.310 -0.000 0.000 0.526 206 E N 0.932 121.026 120.200 -0.176 0.000 2.230 206 E HA -0.228 4.122 4.350 0.001 0.000 0.206 206 E C -0.391 176.121 176.600 -0.146 0.000 1.309 206 E CA 0.680 56.996 56.400 -0.140 0.000 0.697 206 E CB -1.831 27.791 29.700 -0.129 0.000 1.146 206 E HN 0.834 9.194 8.360 -0.000 0.000 0.363 207 N N -0.635 117.985 118.700 -0.134 0.000 2.727 207 N HA -0.231 4.509 4.740 0.001 0.000 0.249 207 N C 0.446 175.869 175.510 -0.145 0.000 1.048 207 N CA 2.227 55.209 53.050 -0.114 0.000 0.714 207 N CB -1.158 37.284 38.487 -0.076 0.000 0.959 207 N HN 0.944 9.324 8.380 -0.000 0.000 0.544 208 G N -1.289 107.368 108.800 -0.238 0.000 2.273 208 G HA2 -0.294 3.667 3.960 0.001 0.000 0.280 208 G HA3 -0.294 3.667 3.960 0.001 0.000 0.280 208 G C 0.702 175.424 174.900 -0.296 0.000 1.047 208 G CA 1.288 46.197 45.100 -0.318 0.000 0.869 208 G HN 1.367 9.657 8.290 -0.000 0.000 0.502 209 T N -3.800 110.549 114.554 -0.343 0.000 3.004 209 T HA 0.571 4.921 4.350 0.001 0.000 0.266 209 T C 0.296 174.881 174.700 -0.191 0.000 0.986 209 T CA 0.433 62.457 62.100 -0.127 0.000 0.902 209 T CB 0.660 69.496 68.868 -0.054 0.000 1.118 209 T HN 0.954 9.194 8.240 -0.000 0.000 0.522 210 L N 1.769 122.675 121.223 -0.528 0.000 2.349 210 L HA 0.761 5.101 4.340 0.001 0.000 0.278 210 L C -2.076 174.385 176.870 -0.681 0.000 0.996 210 L CA -1.383 53.232 54.840 -0.376 0.000 0.825 210 L CB 1.188 43.109 42.059 -0.231 0.000 1.243 210 L HN 0.133 8.363 8.230 -0.000 0.000 0.412 211 F N 2.879 122.659 119.950 -0.283 0.000 2.518 211 F HA 0.429 4.956 4.527 0.001 0.000 0.323 211 F C 0.223 175.961 175.800 -0.103 0.000 1.129 211 F CA -0.718 57.127 58.000 -0.259 0.000 0.920 211 F CB 1.688 40.373 39.000 -0.525 0.000 1.160 211 F HN 0.443 8.743 8.300 -0.000 0.000 0.440 212 E N 3.548 123.805 120.200 0.095 0.000 2.105 212 E HA 0.160 4.510 4.350 0.001 0.000 0.285 212 E C -0.900 175.800 176.600 0.167 0.000 1.055 212 E CA -0.297 56.165 56.400 0.104 0.000 0.843 212 E CB 0.809 30.546 29.700 0.061 0.000 1.067 212 E HN 0.711 9.071 8.360 -0.000 0.000 0.398 213 Q N 3.541 123.457 119.800 0.193 0.000 2.274 213 Q HA 0.220 4.561 4.340 0.001 0.000 0.260 213 Q C -1.327 174.815 176.000 0.237 0.000 0.974 213 Q CA -0.753 55.190 55.803 0.233 0.000 0.876 213 Q CB 1.291 30.185 28.738 0.260 0.000 1.297 213 Q HN 0.596 8.866 8.270 -0.000 0.000 0.446 214 H N 1.741 120.895 119.070 0.140 0.000 2.928 214 H HA 0.486 5.043 4.556 0.001 0.000 0.371 214 H C -1.654 173.755 175.328 0.135 0.000 1.186 214 H CA -0.467 55.652 56.048 0.119 0.000 1.134 214 H CB 2.175 31.991 29.762 0.090 0.000 1.824 214 H HN 0.842 9.122 8.280 -0.000 0.000 0.554 215 E N 1.161 121.102 120.200 -0.431 0.000 2.375 215 E HA 0.416 4.766 4.350 0.001 0.000 0.280 215 E C -1.702 174.819 176.600 -0.132 0.000 0.972 215 E CA -0.997 55.379 56.400 -0.041 0.000 0.782 215 E CB 1.877 31.668 29.700 0.151 0.000 1.229 215 E HN 0.366 8.726 8.360 -0.000 0.000 0.439 216 S N 1.420 117.190 115.700 0.117 0.000 2.538 216 S HA 0.817 5.287 4.470 0.001 0.000 0.288 216 S C -1.336 173.345 174.600 0.135 0.000 1.108 216 S CA 0.002 58.273 58.200 0.119 0.000 0.971 216 S CB 0.788 64.092 63.200 0.173 0.000 1.041 216 S HN 1.080 9.390 8.310 -0.000 0.000 0.483 217 S N 2.447 118.193 115.700 0.078 0.000 2.541 217 S HA 0.820 5.291 4.470 0.001 0.000 0.271 217 S C -1.519 173.078 174.600 -0.006 0.000 1.133 217 S CA -0.672 57.558 58.200 0.050 0.000 0.876 217 S CB 1.463 64.667 63.200 0.007 0.000 1.105 217 S HN 0.703 9.013 8.310 -0.000 0.000 0.470 218 V N 1.258 121.148 119.914 -0.039 0.000 2.668 218 V HA 0.804 4.924 4.120 0.001 0.000 0.304 218 V C -0.026 175.969 176.094 -0.166 0.000 1.071 218 V CA -0.515 61.734 62.300 -0.085 0.000 0.894 218 V CB 1.660 33.459 31.823 -0.040 0.000 1.008 218 V HN 1.334 9.524 8.190 -0.000 0.000 0.425 219 A N 5.920 128.529 122.820 -0.351 0.000 2.290 219 A HA 0.969 5.290 4.320 0.001 0.000 0.310 219 A C 0.046 177.429 177.584 -0.335 0.000 1.202 219 A CA -0.399 51.338 52.037 -0.500 0.000 0.837 219 A CB 0.641 18.747 19.000 -1.490 0.000 1.139 219 A HN 1.038 9.188 8.150 -0.000 0.000 0.509 220 R N 0.769 121.173 120.500 -0.159 0.000 2.829 220 R HA 0.671 5.012 4.340 0.001 0.000 0.267 220 R C -1.630 174.675 176.300 0.009 0.000 1.051 220 R CA -0.831 55.196 56.100 -0.123 0.000 0.927 220 R CB 0.580 30.872 30.300 -0.013 0.000 1.292 220 R HN 0.445 8.715 8.270 -0.000 0.000 0.445 221 Y N -0.570 119.871 120.300 0.235 0.000 2.654 221 Y HA 0.492 5.042 4.550 0.001 0.000 0.327 221 Y C 0.124 176.168 175.900 0.239 0.000 1.122 221 Y CA -1.473 56.838 58.100 0.352 0.000 1.227 221 Y CB 1.230 39.830 38.460 0.234 0.000 1.370 221 Y HN 0.643 8.923 8.280 -0.000 0.000 0.528 222 C N 2.973 122.529 119.300 0.427 0.000 2.540 222 C HA 0.150 4.610 4.460 0.001 0.000 0.377 222 C C 1.065 176.124 174.990 0.114 0.000 1.274 222 C CA -0.220 58.856 59.018 0.097 0.000 1.718 222 C CB -1.522 26.267 27.740 0.082 0.000 2.391 222 C HN 0.921 9.151 8.230 -0.000 0.000 0.565 223 Q N 3.113 122.948 119.800 0.057 0.000 2.352 223 Q HA 0.022 4.362 4.340 0.001 0.000 0.212 223 Q C 1.296 177.311 176.000 0.025 0.000 0.888 223 Q CA 1.017 56.855 55.803 0.059 0.000 0.934 223 Q CB -0.321 28.453 28.738 0.060 0.000 1.093 223 Q HN 0.836 9.106 8.270 -0.000 0.000 0.523 224 T N -2.203 112.351 114.554 -0.000 0.000 3.067 224 T HA 0.169 4.519 4.350 0.001 0.000 0.257 224 T C 0.756 175.454 174.700 -0.003 0.000 1.105 224 T CA -0.112 61.984 62.100 -0.008 0.000 1.104 224 T CB -0.076 68.776 68.868 -0.027 0.000 0.925 224 T HN 0.246 8.486 8.240 -0.000 0.000 0.498 225 C N 3.315 122.617 119.300 0.003 0.000 2.321 225 C HA 0.582 5.042 4.460 0.001 0.000 0.323 225 C C -2.332 172.668 174.990 0.017 0.000 1.191 225 C CA -1.862 57.160 59.018 0.007 0.000 1.455 225 C CB 0.310 28.053 27.740 0.005 0.000 2.083 225 C HN 0.411 8.641 8.230 -0.000 0.000 0.442 226 P HA 0.142 4.562 4.420 -0.000 0.000 0.266 226 P C -0.131 177.170 177.300 0.001 0.000 1.195 226 P CA 0.362 63.465 63.100 0.006 0.000 0.768 226 P CB 0.586 32.286 31.700 -0.001 0.000 0.838 227 S N 1.823 117.519 115.700 -0.006 0.000 2.475 227 S HA 0.180 4.650 4.470 0.001 0.000 0.281 227 S C 1.153 175.722 174.600 -0.052 0.000 1.198 227 S CA -0.535 57.652 58.200 -0.021 0.000 1.063 227 S CB 0.566 63.750 63.200 -0.027 0.000 0.972 227 S HN 0.330 8.640 8.310 -0.000 0.000 0.486 228 K N 4.223 124.593 120.400 -0.051 0.000 2.031 228 K HA 0.179 4.499 4.320 0.001 0.000 0.205 228 K C 1.645 178.184 176.600 -0.101 0.000 1.049 228 K CA 1.490 57.742 56.287 -0.058 0.000 0.939 228 K CB -0.315 32.161 32.500 -0.040 0.000 0.717 228 K HN 0.764 9.014 8.250 -0.000 0.000 0.438 229 L N -1.128 120.001 121.223 -0.158 0.000 2.291 229 L HA 0.124 4.464 4.340 0.001 0.000 0.214 229 L C 1.045 177.679 176.870 -0.394 0.000 1.120 229 L CA 0.694 55.368 54.840 -0.276 0.000 0.799 229 L CB -0.096 41.751 42.059 -0.354 0.000 0.925 229 L HN 0.593 8.823 8.230 -0.000 0.000 0.446 230 G N -1.090 107.508 108.800 -0.337 0.000 2.135 230 G HA2 -0.169 3.791 3.960 0.001 0.000 0.183 230 G HA3 -0.169 3.791 3.960 0.001 0.000 0.183 230 G C -0.011 174.749 174.900 -0.235 0.000 1.004 230 G CA -0.607 44.343 45.100 -0.251 0.000 0.677 230 G HN 0.303 8.593 8.290 -0.000 0.000 0.512 231 H N 0.181 119.224 119.070 -0.046 0.000 2.508 231 H HA 0.394 4.950 4.556 0.001 0.000 0.344 231 H C 1.086 176.359 175.328 -0.091 0.000 1.192 231 H CA -0.297 55.713 56.048 -0.064 0.000 1.290 231 H CB 0.517 30.247 29.762 -0.052 0.000 1.571 231 H HN 0.402 8.682 8.280 -0.000 0.000 0.555 232 N N 0.000 118.691 118.700 -0.015 0.000 1.763 232 N HA 0.000 4.740 4.740 0.001 0.000 0.220 232 N CA 0.000 52.915 53.050 -0.225 0.000 0.885 232 N CB 0.000 38.103 38.487 -0.640 0.000 1.341 232 N HN 0.000 8.380 8.380 -0.000 0.000 0.667