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 1ep1_1_A DATA FIRST_RESID 3 DATA SEQUENCE ENNRLSVKLP GLDLKNPIIP ASGCFGFGEE YAKYYDLNKL GSIMVKATTL DATA SEQUENCE HPRFGNPTPR VAETASGMLN AIGLQNPGLE VIMTEKLPWL NENFPELPII DATA SEQUENCE ANVAGSEEAD YVAVCAKIGD AANVKAIELN ISCPNVKHGG QAFGTDPEVA DATA SEQUENCE AALVKACKAV SKVPLYVKLS PNVTDIVPIA KAVEAAGADG LTMINTLMGV DATA SEQUENCE RFDLKTRQPI LANITGGLSG PAIKPVALKL IHQVAQDVDI PIIGMGGVAN DATA SEQUENCE AQDVLEMYMA GASAVAVGTA NFADPFVCPK IIDKLPELMD QYRIESLESL DATA SEQUENCE IQEVKEGKK 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 3 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3 E C 0.000 176.606 176.600 0.010 0.000 1.382 3 E CA 0.000 56.410 56.400 0.016 0.000 0.976 3 E CB 0.000 29.708 29.700 0.014 0.000 0.812 4 N N -0.787 117.916 118.700 0.005 0.000 2.494 4 N HA 0.319 5.059 4.740 -0.001 0.000 0.270 4 N C -0.206 175.303 175.510 -0.002 0.000 1.285 4 N CA -0.327 52.724 53.050 0.002 0.000 0.812 4 N CB 0.510 38.996 38.487 -0.001 0.000 1.557 4 N HN 0.149 8.529 8.380 -0.000 0.000 0.487 5 N N 0.507 119.206 118.700 -0.002 0.000 2.132 5 N HA -0.200 4.539 4.740 -0.001 0.000 0.191 5 N C 0.981 176.485 175.510 -0.010 0.000 1.015 5 N CA 1.631 54.679 53.050 -0.003 0.000 0.864 5 N CB -0.236 38.249 38.487 -0.003 0.000 1.006 5 N HN 0.543 8.923 8.380 -0.000 0.000 0.430 6 R N -0.437 120.054 120.500 -0.016 0.000 2.127 6 R HA -0.041 4.299 4.340 -0.001 0.000 0.238 6 R C 0.851 177.126 176.300 -0.041 0.000 1.134 6 R CA 0.803 56.887 56.100 -0.028 0.000 0.975 6 R CB -0.242 30.041 30.300 -0.028 0.000 0.865 6 R HN 0.163 8.433 8.270 -0.000 0.000 0.447 7 L N 0.223 121.428 121.223 -0.030 0.000 2.585 7 L HA 0.140 4.479 4.340 -0.001 0.000 0.226 7 L C 0.235 177.098 176.870 -0.012 0.000 1.113 7 L CA 0.773 55.594 54.840 -0.032 0.000 0.876 7 L CB 0.272 42.318 42.059 -0.021 0.000 1.072 7 L HN -0.106 8.124 8.230 -0.000 0.000 0.468 8 S N -0.207 115.490 115.700 -0.004 0.000 2.548 8 S HA 0.531 5.001 4.470 -0.001 0.000 0.277 8 S C -0.219 174.394 174.600 0.022 0.000 1.315 8 S CA -0.445 57.761 58.200 0.011 0.000 1.050 8 S CB 1.226 64.432 63.200 0.010 0.000 0.918 8 S HN 0.056 8.366 8.310 -0.000 0.000 0.497 9 V N 1.242 121.178 119.914 0.036 0.000 2.760 9 V HA 0.630 4.750 4.120 -0.001 0.000 0.309 9 V C -0.980 175.141 176.094 0.044 0.000 1.077 9 V CA -1.111 61.221 62.300 0.053 0.000 0.910 9 V CB 1.608 33.484 31.823 0.089 0.000 1.008 9 V HN 0.728 8.918 8.190 -0.000 0.000 0.424 10 K N 3.989 124.416 120.400 0.046 0.000 2.307 10 K HA 0.776 5.095 4.320 -0.001 0.000 0.263 10 K C -1.534 175.100 176.600 0.056 0.000 0.973 10 K CA -0.597 55.716 56.287 0.044 0.000 0.846 10 K CB 1.904 34.425 32.500 0.035 0.000 1.100 10 K HN 0.455 8.705 8.250 -0.000 0.000 0.438 11 L N 3.420 124.685 121.223 0.071 0.000 2.301 11 L HA 0.505 4.845 4.340 -0.001 0.000 0.264 11 L C -2.454 174.490 176.870 0.125 0.000 1.016 11 L CA -2.615 52.292 54.840 0.111 0.000 0.821 11 L CB 1.254 43.402 42.059 0.149 0.000 1.346 11 L HN 0.394 8.624 8.230 -0.000 0.000 0.429 12 P HA 0.172 4.592 4.420 -0.000 0.000 0.260 12 P C 0.685 178.079 177.300 0.157 0.000 1.185 12 P CA 1.148 64.300 63.100 0.086 0.000 0.763 12 P CB 0.379 32.062 31.700 -0.027 0.000 0.776 13 G N 2.803 111.661 108.800 0.096 0.000 2.220 13 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.269 13 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.269 13 G C -0.069 174.880 174.900 0.081 0.000 0.977 13 G CA -0.075 45.081 45.100 0.094 0.000 0.634 13 G HN 0.492 8.782 8.290 -0.000 0.000 0.539 14 L N 0.824 122.098 121.223 0.086 0.000 2.316 14 L HA 0.497 4.836 4.340 -0.001 0.000 0.280 14 L C -0.922 175.970 176.870 0.036 0.000 1.006 14 L CA -0.776 54.091 54.840 0.045 0.000 0.836 14 L CB 1.821 43.891 42.059 0.018 0.000 1.221 14 L HN 0.020 8.250 8.230 -0.000 0.000 0.418 15 D N 4.370 124.785 120.400 0.026 0.000 2.493 15 D HA 0.380 5.020 4.640 -0.001 0.000 0.235 15 D C -0.565 175.745 176.300 0.017 0.000 1.117 15 D CA -0.145 53.869 54.000 0.024 0.000 0.930 15 D CB 0.553 41.367 40.800 0.024 0.000 1.010 15 D HN 0.263 8.633 8.370 -0.000 0.000 0.514 16 L N 3.599 124.831 121.223 0.014 0.000 2.292 16 L HA 0.323 4.662 4.340 -0.001 0.000 0.284 16 L C 1.918 178.795 176.870 0.012 0.000 1.065 16 L CA -0.620 54.225 54.840 0.007 0.000 0.806 16 L CB 1.389 43.447 42.059 -0.001 0.000 1.175 16 L HN 0.321 8.551 8.230 -0.000 0.000 0.431 17 K N 1.635 122.042 120.400 0.011 0.000 2.283 17 K HA -0.056 4.264 4.320 -0.001 0.000 0.202 17 K C 0.019 176.625 176.600 0.010 0.000 1.048 17 K CA 0.899 57.194 56.287 0.013 0.000 0.948 17 K CB -0.116 32.395 32.500 0.019 0.000 0.742 17 K HN 0.812 9.062 8.250 -0.000 0.000 0.458 18 N N -1.500 117.205 118.700 0.007 0.000 2.961 18 N HA 0.162 4.902 4.740 -0.001 0.000 0.245 18 N C -2.852 172.665 175.510 0.012 0.000 1.404 18 N CA -1.636 51.419 53.050 0.008 0.000 0.880 18 N CB 1.513 40.001 38.487 0.001 0.000 1.461 18 N HN -0.306 8.074 8.380 -0.000 0.000 0.510 19 P HA 0.153 4.573 4.420 -0.000 0.000 0.249 19 P C -0.363 176.939 177.300 0.003 0.000 1.229 19 P CA 0.385 63.518 63.100 0.054 0.000 0.788 19 P CB 0.209 32.019 31.700 0.183 0.000 1.072 20 I N 1.871 122.427 120.570 -0.023 0.000 2.337 20 I HA 0.239 4.409 4.170 -0.001 0.000 0.291 20 I C 0.773 176.817 176.117 -0.122 0.000 1.046 20 I CA -0.619 60.641 61.300 -0.066 0.000 1.324 20 I CB 0.114 38.079 38.000 -0.058 0.000 1.409 20 I HN -0.097 8.113 8.210 -0.000 0.000 0.494 21 I N 8.102 128.572 120.570 -0.166 0.000 2.478 21 I HA 0.320 4.489 4.170 -0.001 0.000 0.287 21 I C -2.562 173.370 176.117 -0.308 0.000 1.042 21 I CA -1.938 59.222 61.300 -0.235 0.000 1.067 21 I CB 2.486 40.365 38.000 -0.201 0.000 1.233 21 I HN 0.215 8.425 8.210 -0.000 0.000 0.431 22 P HA 0.117 4.537 4.420 -0.000 0.000 0.271 22 P C -0.412 176.661 177.300 -0.378 0.000 1.216 22 P CA -0.044 62.718 63.100 -0.562 0.000 0.771 22 P CB 0.790 31.750 31.700 -1.233 0.000 0.864 23 A N 3.225 125.880 122.820 -0.276 0.000 2.351 23 A HA 0.288 4.608 4.320 -0.001 0.000 0.257 23 A C 0.656 178.147 177.584 -0.154 0.000 1.087 23 A CA -0.063 51.857 52.037 -0.194 0.000 0.798 23 A CB -0.109 18.795 19.000 -0.160 0.000 1.033 23 A HN 0.458 8.608 8.150 -0.000 0.000 0.488 24 S N 0.286 115.911 115.700 -0.124 0.000 2.546 24 S HA 0.400 4.870 4.470 -0.001 0.000 0.290 24 S C 1.465 176.023 174.600 -0.070 0.000 1.290 24 S CA 1.203 59.340 58.200 -0.105 0.000 1.069 24 S CB -0.262 62.885 63.200 -0.089 0.000 0.846 24 S HN 2.406 10.716 8.310 -0.000 0.000 0.495 25 G N 2.976 111.734 108.800 -0.069 0.000 2.217 25 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.246 25 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.246 25 G C 0.726 175.680 174.900 0.091 0.000 0.990 25 G CA 0.225 45.317 45.100 -0.013 0.000 0.627 25 G HN 0.841 9.131 8.290 -0.000 0.000 0.522 26 C N -0.746 118.593 119.300 0.064 0.000 3.038 26 C HA 0.641 5.101 4.460 -0.001 0.000 0.279 26 C C 1.115 176.194 174.990 0.148 0.000 1.276 26 C CA 0.457 59.539 59.018 0.106 0.000 1.697 26 C CB -0.881 26.721 27.740 -0.229 0.000 2.032 26 C HN 0.440 8.670 8.230 -0.000 0.000 0.636 27 F N 0.627 120.506 119.950 -0.118 0.000 2.899 27 F HA 0.434 4.960 4.527 -0.000 0.000 0.337 27 F C 1.523 177.297 175.800 -0.044 0.000 1.129 27 F CA 0.597 58.497 58.000 -0.167 0.000 1.128 27 F CB -0.044 38.780 39.000 -0.293 0.000 1.154 27 F HN 0.300 8.600 8.300 -0.000 0.000 0.531 28 G N 1.478 110.287 108.800 0.016 0.000 2.651 28 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.315 28 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.315 28 G C 0.319 175.050 174.900 -0.282 0.000 1.258 28 G CA 0.768 45.805 45.100 -0.105 0.000 1.002 28 G HN 0.208 8.498 8.290 -0.000 0.000 0.551 29 F N 2.438 122.405 119.950 0.029 0.000 2.791 29 F HA 0.495 5.022 4.527 -0.001 0.000 0.308 29 F C 1.779 177.647 175.800 0.112 0.000 1.138 29 F CA 0.909 58.951 58.000 0.071 0.000 1.294 29 F CB 0.829 39.845 39.000 0.026 0.000 0.975 29 F HN 1.490 9.790 8.300 -0.000 0.000 0.512 30 G N 0.123 109.036 108.800 0.189 0.000 2.267 30 G HA2 -0.420 3.540 3.960 -0.001 0.000 0.257 30 G HA3 -0.420 3.540 3.960 -0.001 0.000 0.257 30 G C 1.184 176.097 174.900 0.021 0.000 0.998 30 G CA 0.823 46.011 45.100 0.148 0.000 0.620 30 G HN 0.401 8.691 8.290 -0.000 0.000 0.529 31 E N 1.045 121.143 120.200 -0.170 0.000 2.021 31 E HA -0.011 4.339 4.350 -0.001 0.000 0.200 31 E C 2.034 178.507 176.600 -0.211 0.000 1.015 31 E CA 1.800 57.927 56.400 -0.455 0.000 0.824 31 E CB -0.428 28.883 29.700 -0.648 0.000 0.762 31 E HN 0.570 8.930 8.360 -0.000 0.000 0.454 32 E N -0.000 120.070 120.200 -0.217 0.000 2.085 32 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 32 E C 1.828 178.251 176.600 -0.295 0.000 0.994 32 E CA 1.166 57.418 56.400 -0.248 0.000 0.801 32 E CB -0.375 29.125 29.700 -0.333 0.000 0.743 32 E HN 0.402 8.762 8.360 -0.000 0.000 0.453 33 Y N -0.112 119.937 120.300 -0.419 0.000 2.561 33 Y HA 0.139 4.689 4.550 -0.001 0.000 0.291 33 Y C 2.058 177.752 175.900 -0.344 0.000 1.141 33 Y CA 0.495 58.289 58.100 -0.510 0.000 1.303 33 Y CB -0.208 37.592 38.460 -1.100 0.000 1.015 33 Y HN 0.052 8.332 8.280 -0.000 0.000 0.547 34 A N 0.355 123.152 122.820 -0.039 0.000 2.015 34 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 34 A C 2.115 179.774 177.584 0.124 0.000 1.163 34 A CA 1.254 53.353 52.037 0.103 0.000 0.646 34 A CB -0.351 18.906 19.000 0.428 0.000 0.806 34 A HN 0.370 8.520 8.150 -0.000 0.000 0.448 35 K N -1.488 118.969 120.400 0.094 0.000 2.211 35 K HA -0.158 4.161 4.320 -0.001 0.000 0.204 35 K C 1.532 178.115 176.600 -0.027 0.000 1.047 35 K CA 1.688 57.992 56.287 0.029 0.000 0.935 35 K CB -0.297 32.175 32.500 -0.047 0.000 0.728 35 K HN 0.654 8.904 8.250 -0.000 0.000 0.452 36 Y N -1.013 119.256 120.300 -0.051 0.000 2.347 36 Y HA -0.022 4.528 4.550 -0.001 0.000 0.294 36 Y C 0.551 176.649 175.900 0.330 0.000 1.117 36 Y CA 0.230 58.361 58.100 0.052 0.000 1.184 36 Y CB 0.266 38.585 38.460 -0.235 0.000 1.047 36 Y HN 0.057 8.337 8.280 -0.000 0.000 0.546 37 Y N -4.001 116.485 120.300 0.310 0.000 2.713 37 Y HA 0.393 4.943 4.550 -0.001 0.000 0.335 37 Y C -1.540 174.519 175.900 0.264 0.000 1.222 37 Y CA -2.522 55.760 58.100 0.304 0.000 1.061 37 Y CB 0.414 39.087 38.460 0.355 0.000 1.314 37 Y HN -0.265 8.015 8.280 -0.000 0.000 0.453 38 D N 1.583 122.253 120.400 0.450 0.000 2.349 38 D HA 0.096 4.736 4.640 -0.001 0.000 0.266 38 D C 0.633 177.136 176.300 0.338 0.000 1.293 38 D CA 0.139 54.363 54.000 0.373 0.000 0.926 38 D CB 0.947 41.938 40.800 0.318 0.000 1.090 38 D HN 0.645 9.015 8.370 -0.000 0.000 0.502 39 L N 4.088 125.371 121.223 0.099 0.000 2.261 39 L HA -0.149 4.191 4.340 -0.001 0.000 0.216 39 L C 1.908 178.755 176.870 -0.040 0.000 1.114 39 L CA 1.057 55.793 54.840 -0.173 0.000 0.777 39 L CB -0.777 40.765 42.059 -0.862 0.000 0.910 39 L HN 0.538 8.768 8.230 -0.000 0.000 0.440 40 N N -0.358 118.433 118.700 0.152 0.000 2.519 40 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 40 N C 1.611 177.201 175.510 0.134 0.000 1.062 40 N CA 0.622 53.781 53.050 0.182 0.000 0.910 40 N CB 0.028 38.670 38.487 0.259 0.000 0.958 40 N HN 0.459 8.839 8.380 -0.000 0.000 0.445 41 K N 0.271 120.772 120.400 0.168 0.000 2.288 41 K HA 0.039 4.359 4.320 -0.001 0.000 0.201 41 K C 0.576 177.224 176.600 0.080 0.000 1.048 41 K CA 0.313 56.680 56.287 0.134 0.000 0.956 41 K CB 0.154 32.757 32.500 0.170 0.000 0.746 41 K HN 0.136 8.386 8.250 -0.000 0.000 0.461 42 L N -0.669 120.596 121.223 0.070 0.000 2.453 42 L HA 0.102 4.442 4.340 -0.001 0.000 0.261 42 L C 1.763 178.618 176.870 -0.025 0.000 1.179 42 L CA -0.344 54.493 54.840 -0.003 0.000 0.813 42 L CB 0.737 42.757 42.059 -0.065 0.000 1.110 42 L HN 0.083 8.313 8.230 -0.000 0.000 0.466 43 G N -0.248 108.522 108.800 -0.049 0.000 2.403 43 G HA2 0.027 3.986 3.960 -0.001 0.000 0.216 43 G HA3 0.027 3.986 3.960 -0.001 0.000 0.216 43 G C 0.560 175.426 174.900 -0.057 0.000 1.154 43 G CA 0.885 45.961 45.100 -0.041 0.000 0.784 43 G HN 0.561 8.851 8.290 -0.000 0.000 0.538 44 S N -2.007 113.633 115.700 -0.099 0.000 2.669 44 S HA 0.568 5.038 4.470 -0.001 0.000 0.266 44 S C -2.214 172.279 174.600 -0.178 0.000 1.149 44 S CA -0.773 57.362 58.200 -0.110 0.000 0.842 44 S CB 0.497 63.633 63.200 -0.106 0.000 1.160 44 S HN 0.147 8.457 8.310 -0.000 0.000 0.487 45 I N 1.719 122.189 120.570 -0.166 0.000 2.607 45 I HA 0.409 4.579 4.170 -0.001 0.000 0.290 45 I C -0.975 175.043 176.117 -0.165 0.000 1.129 45 I CA -0.481 60.682 61.300 -0.228 0.000 1.042 45 I CB 2.088 39.983 38.000 -0.176 0.000 1.242 45 I HN 0.569 8.779 8.210 -0.000 0.000 0.421 46 M N 6.674 126.154 119.600 -0.200 0.000 2.069 46 M HA 0.311 4.791 4.480 -0.001 0.000 0.349 46 M C -0.044 176.170 176.300 -0.144 0.000 1.194 46 M CA -0.737 54.471 55.300 -0.152 0.000 1.081 46 M CB 1.040 33.542 32.600 -0.162 0.000 1.500 46 M HN 0.420 8.710 8.290 -0.000 0.000 0.438 47 V N 1.180 121.021 119.914 -0.122 0.000 3.264 47 V HA 0.408 4.527 4.120 -0.001 0.000 0.304 47 V C 0.189 176.100 176.094 -0.306 0.000 1.086 47 V CA -1.037 61.119 62.300 -0.239 0.000 1.090 47 V CB 0.369 32.070 31.823 -0.203 0.000 1.112 47 V HN 0.873 9.063 8.190 -0.000 0.000 0.472 48 K N 2.187 122.264 120.400 -0.538 0.000 2.336 48 K HA 0.558 4.878 4.320 -0.001 0.000 0.262 48 K C 0.282 176.765 176.600 -0.195 0.000 0.992 48 K CA 0.157 56.238 56.287 -0.342 0.000 0.927 48 K CB 0.120 32.408 32.500 -0.354 0.000 0.956 48 K HN 1.220 9.470 8.250 -0.000 0.000 0.495 49 A N 2.081 124.850 122.820 -0.086 0.000 2.565 49 A HA 0.091 4.411 4.320 -0.001 0.000 0.237 49 A C -0.261 177.337 177.584 0.024 0.000 1.053 49 A CA 0.154 52.175 52.037 -0.027 0.000 0.755 49 A CB -0.262 18.723 19.000 -0.024 0.000 0.980 49 A HN 0.682 8.832 8.150 -0.000 0.000 0.506 50 T N 2.176 116.748 114.554 0.031 0.000 2.797 50 T HA 0.623 4.973 4.350 -0.001 0.000 0.279 50 T C 0.236 174.923 174.700 -0.021 0.000 0.991 50 T CA 0.058 62.190 62.100 0.054 0.000 0.979 50 T CB 1.253 70.164 68.868 0.072 0.000 0.943 50 T HN 0.925 9.165 8.240 -0.000 0.000 0.444 51 T N 1.180 115.722 114.554 -0.020 0.000 2.912 51 T HA 0.514 4.864 4.350 -0.001 0.000 0.288 51 T C 1.410 176.072 174.700 -0.064 0.000 1.030 51 T CA -1.014 61.050 62.100 -0.059 0.000 1.020 51 T CB 1.220 70.073 68.868 -0.025 0.000 1.056 51 T HN 0.380 8.620 8.240 -0.000 0.000 0.480 52 L N 0.407 121.565 121.223 -0.107 0.000 1.997 52 L HA -0.108 4.232 4.340 -0.001 0.000 0.216 52 L C 0.816 177.505 176.870 -0.302 0.000 1.074 52 L CA 1.726 56.441 54.840 -0.209 0.000 0.763 52 L CB -0.304 41.610 42.059 -0.242 0.000 0.890 52 L HN 0.716 8.946 8.230 -0.000 0.000 0.434 53 H N -0.518 118.549 119.070 -0.004 0.000 2.502 53 H HA 0.319 4.875 4.556 -0.000 0.000 0.338 53 H C -2.095 173.240 175.328 0.013 0.000 1.155 53 H CA -2.226 53.827 56.048 0.007 0.000 1.237 53 H CB 1.051 30.820 29.762 0.013 0.000 1.534 53 H HN 0.091 8.371 8.280 -0.000 0.000 0.523 54 P HA 0.152 4.572 4.420 -0.000 0.000 0.272 54 P C -0.523 176.841 177.300 0.107 0.000 1.223 54 P CA -0.128 63.029 63.100 0.096 0.000 0.784 54 P CB 1.359 33.110 31.700 0.084 0.000 0.923 55 R N 1.051 121.603 120.500 0.086 0.000 2.621 55 R HA 0.294 4.633 4.340 -0.001 0.000 0.284 55 R C 0.421 176.779 176.300 0.097 0.000 0.998 55 R CA -0.595 55.563 56.100 0.096 0.000 0.895 55 R CB 1.280 31.620 30.300 0.068 0.000 1.195 55 R HN 0.376 8.646 8.270 -0.000 0.000 0.450 56 F N 1.452 121.412 119.950 0.017 0.000 2.293 56 F HA 0.155 4.682 4.527 -0.000 0.000 0.297 56 F C 1.146 176.951 175.800 0.009 0.000 1.089 56 F CA 1.994 60.000 58.000 0.011 0.000 1.377 56 F CB 0.408 39.410 39.000 0.004 0.000 1.051 56 F HN 0.836 9.136 8.300 -0.000 0.000 0.511 57 G N 0.439 109.302 108.800 0.105 0.000 2.472 57 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.205 57 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.205 57 G C -1.040 173.935 174.900 0.125 0.000 1.270 57 G CA -0.416 44.705 45.100 0.036 0.000 0.974 57 G HN 0.310 8.600 8.290 -0.000 0.000 0.542 58 N N 1.294 120.037 118.700 0.072 0.000 2.482 58 N HA 0.675 5.415 4.740 -0.001 0.000 0.279 58 N C -2.412 173.165 175.510 0.110 0.000 1.182 58 N CA -0.957 52.143 53.050 0.082 0.000 0.969 58 N CB 0.792 39.301 38.487 0.037 0.000 1.201 58 N HN 0.339 8.719 8.380 -0.000 0.000 0.523 59 P HA 0.133 4.553 4.420 -0.000 0.000 0.274 59 P C -0.213 177.119 177.300 0.053 0.000 1.246 59 P CA -0.156 62.996 63.100 0.087 0.000 0.795 59 P CB 0.313 32.041 31.700 0.047 0.000 1.006 60 T N -1.608 112.976 114.554 0.049 0.000 2.918 60 T HA 0.537 4.886 4.350 -0.001 0.000 0.283 60 T C -2.366 172.337 174.700 0.005 0.000 1.001 60 T CA -1.898 60.214 62.100 0.020 0.000 1.041 60 T CB -0.173 68.709 68.868 0.022 0.000 1.028 60 T HN 0.135 8.375 8.240 -0.000 0.000 0.511 61 P HA 0.371 4.791 4.420 -0.000 0.000 0.272 61 P C 0.235 177.521 177.300 -0.023 0.000 1.223 61 P CA -0.627 62.462 63.100 -0.019 0.000 0.784 61 P CB 0.598 32.283 31.700 -0.025 0.000 0.923 62 R N 0.271 120.752 120.500 -0.032 0.000 2.487 62 R HA 0.240 4.580 4.340 -0.001 0.000 0.272 62 R C -0.039 176.236 176.300 -0.042 0.000 0.928 62 R CA 0.015 56.094 56.100 -0.035 0.000 1.077 62 R CB 0.567 30.841 30.300 -0.043 0.000 1.265 62 R HN 0.390 8.660 8.270 -0.000 0.000 0.537 63 V N -2.832 117.054 119.914 -0.046 0.000 3.078 63 V HA 0.983 5.103 4.120 -0.001 0.000 0.311 63 V C -1.166 174.908 176.094 -0.034 0.000 1.138 63 V CA -1.245 61.028 62.300 -0.044 0.000 1.007 63 V CB 2.015 33.796 31.823 -0.071 0.000 1.045 63 V HN 0.007 8.197 8.190 -0.000 0.000 0.432 64 A N 1.361 124.167 122.820 -0.022 0.000 2.604 64 A HA 0.788 5.107 4.320 -0.001 0.000 0.295 64 A C -0.984 176.600 177.584 0.000 0.000 1.067 64 A CA -0.531 51.497 52.037 -0.015 0.000 0.683 64 A CB 1.824 20.811 19.000 -0.022 0.000 1.281 64 A HN 1.107 9.257 8.150 -0.000 0.000 0.407 65 E N 0.318 120.522 120.200 0.007 0.000 2.242 65 E HA 0.672 5.022 4.350 -0.001 0.000 0.275 65 E C 0.024 176.636 176.600 0.020 0.000 1.002 65 E CA 0.005 56.416 56.400 0.018 0.000 0.841 65 E CB 1.222 30.933 29.700 0.019 0.000 1.109 65 E HN 0.864 9.224 8.360 -0.000 0.000 0.394 66 T N -0.660 113.909 114.554 0.025 0.000 2.831 66 T HA 0.661 5.011 4.350 -0.001 0.000 0.287 66 T C -0.508 174.207 174.700 0.025 0.000 1.070 66 T CA -0.803 61.312 62.100 0.025 0.000 1.010 66 T CB 1.174 70.056 68.868 0.024 0.000 1.264 66 T HN 0.451 8.691 8.240 -0.000 0.000 0.532 67 A N 0.805 123.640 122.820 0.024 0.000 2.438 67 A HA 0.539 4.859 4.320 -0.001 0.000 0.280 67 A C 1.050 178.647 177.584 0.021 0.000 1.160 67 A CA 0.247 52.298 52.037 0.022 0.000 0.821 67 A CB -1.416 17.596 19.000 0.020 0.000 1.101 67 A HN 1.681 9.831 8.150 -0.000 0.000 0.515 68 S N 0.596 116.309 115.700 0.022 0.000 3.641 68 S HA -0.112 4.357 4.470 -0.001 0.000 0.346 68 S C 0.614 175.227 174.600 0.022 0.000 1.074 68 S CA 1.275 59.487 58.200 0.021 0.000 1.026 68 S CB -1.513 61.696 63.200 0.015 0.000 0.908 68 S HN 2.313 10.623 8.310 -0.000 0.000 0.479 69 G N -0.285 108.532 108.800 0.028 0.000 2.489 69 G HA2 0.719 4.678 3.960 -0.001 0.000 0.305 69 G HA3 0.719 4.678 3.960 -0.001 0.000 0.305 69 G C -1.227 173.698 174.900 0.042 0.000 1.311 69 G CA -0.266 44.853 45.100 0.032 0.000 0.813 69 G HN 0.882 9.172 8.290 -0.000 0.000 0.480 70 M N -1.472 118.156 119.600 0.047 0.000 2.644 70 M HA 0.868 5.347 4.480 -0.001 0.000 0.273 70 M C -2.256 174.067 176.300 0.039 0.000 1.253 70 M CA -0.916 54.414 55.300 0.049 0.000 0.852 70 M CB 2.184 34.832 32.600 0.080 0.000 1.708 70 M HN 0.495 8.785 8.290 -0.000 0.000 0.471 71 L N 2.774 124.012 121.223 0.024 0.000 2.346 71 L HA 0.731 5.071 4.340 -0.001 0.000 0.274 71 L C -1.033 175.842 176.870 0.009 0.000 1.007 71 L CA 0.106 54.953 54.840 0.012 0.000 0.818 71 L CB 2.039 44.096 42.059 -0.004 0.000 1.284 71 L HN 1.007 9.237 8.230 -0.000 0.000 0.424 72 N N 1.608 120.313 118.700 0.009 0.000 2.331 72 N HA 0.762 5.502 4.740 -0.001 0.000 0.280 72 N C -1.354 174.154 175.510 -0.003 0.000 1.155 72 N CA -0.455 52.596 53.050 0.001 0.000 0.822 72 N CB 2.218 40.718 38.487 0.021 0.000 1.619 72 N HN 0.567 8.947 8.380 -0.000 0.000 0.476 73 A N 2.188 125.001 122.820 -0.012 0.000 3.234 73 A HA 0.313 4.632 4.320 -0.001 0.000 0.247 73 A C 0.739 178.316 177.584 -0.012 0.000 0.938 73 A CA -0.532 51.500 52.037 -0.008 0.000 1.039 73 A CB -0.499 18.493 19.000 -0.013 0.000 1.197 73 A HN 0.628 8.778 8.150 -0.000 0.000 0.498 74 I N 0.417 120.977 120.570 -0.017 0.000 2.208 74 I HA -0.140 4.029 4.170 -0.001 0.000 0.245 74 I C 2.007 178.110 176.117 -0.024 0.000 1.097 74 I CA 2.499 63.779 61.300 -0.033 0.000 1.363 74 I CB -1.373 36.605 38.000 -0.037 0.000 1.051 74 I HN 0.940 9.150 8.210 -0.000 0.000 0.413 75 G N 0.450 109.246 108.800 -0.006 0.000 2.132 75 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.228 75 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.228 75 G C 0.339 175.241 174.900 0.004 0.000 1.000 75 G CA 0.073 45.177 45.100 0.008 0.000 0.693 75 G HN 0.218 8.508 8.290 -0.000 0.000 0.515 76 L N -1.391 119.828 121.223 -0.006 0.000 3.548 76 L HA -0.149 4.191 4.340 -0.001 0.000 0.443 76 L C 0.993 177.855 176.870 -0.014 0.000 1.286 76 L CA 1.590 56.425 54.840 -0.008 0.000 0.863 76 L CB -2.030 40.032 42.059 0.005 0.000 1.734 76 L HN 0.976 9.206 8.230 -0.000 0.000 0.873 77 Q N 1.262 121.036 119.800 -0.044 0.000 2.311 77 Q HA 0.405 4.745 4.340 -0.001 0.000 0.272 77 Q C 0.475 176.462 176.000 -0.022 0.000 1.012 77 Q CA 0.650 56.411 55.803 -0.069 0.000 0.891 77 Q CB 0.614 29.246 28.738 -0.177 0.000 1.201 77 Q HN 0.673 8.943 8.270 -0.000 0.000 0.391 78 N N 1.906 120.613 118.700 0.011 0.000 2.745 78 N HA 0.333 5.072 4.740 -0.001 0.000 0.256 78 N C -2.681 172.863 175.510 0.056 0.000 1.268 78 N CA -1.211 51.885 53.050 0.075 0.000 0.887 78 N CB 1.517 40.071 38.487 0.113 0.000 1.575 78 N HN 0.209 8.589 8.380 -0.000 0.000 0.496 79 P HA 0.130 4.550 4.420 -0.000 0.000 0.242 79 P C 0.333 177.644 177.300 0.019 0.000 1.197 79 P CA 1.207 64.318 63.100 0.019 0.000 0.765 79 P CB -0.255 31.430 31.700 -0.025 0.000 0.936 80 G N 0.238 109.055 108.800 0.028 0.000 2.663 80 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.686 80 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.686 80 G C 0.013 174.904 174.900 -0.014 0.000 1.246 80 G CA -0.353 44.754 45.100 0.011 0.000 0.795 80 G HN 0.212 8.502 8.290 -0.000 0.000 0.627 81 L N 0.550 121.752 121.223 -0.035 0.000 2.013 81 L HA -0.026 4.314 4.340 -0.001 0.000 0.212 81 L C 2.532 179.379 176.870 -0.039 0.000 1.073 81 L CA 3.277 58.094 54.840 -0.038 0.000 0.753 81 L CB -0.633 41.388 42.059 -0.062 0.000 0.890 81 L HN 0.917 9.147 8.230 -0.000 0.000 0.432 82 E N -0.869 119.305 120.200 -0.043 0.000 2.033 82 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 82 E C 2.061 178.637 176.600 -0.039 0.000 1.011 82 E CA 2.368 58.748 56.400 -0.034 0.000 0.815 82 E CB -0.181 29.504 29.700 -0.026 0.000 0.755 82 E HN 0.415 8.775 8.360 -0.000 0.000 0.451 83 V N 1.265 121.152 119.914 -0.045 0.000 2.392 83 V HA -0.279 3.841 4.120 -0.001 0.000 0.249 83 V C 2.373 178.400 176.094 -0.112 0.000 1.059 83 V CA 1.734 63.993 62.300 -0.068 0.000 1.051 83 V CB -0.449 31.333 31.823 -0.069 0.000 0.658 83 V HN 0.342 8.532 8.190 -0.000 0.000 0.455 84 I N -0.944 119.553 120.570 -0.121 0.000 2.226 84 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 84 I C 2.533 178.593 176.117 -0.095 0.000 1.100 84 I CA 1.325 62.521 61.300 -0.174 0.000 1.374 84 I CB -0.300 37.644 38.000 -0.094 0.000 1.057 84 I HN 0.264 8.474 8.210 -0.000 0.000 0.413 85 M N 0.152 119.724 119.600 -0.047 0.000 2.123 85 M HA -0.118 4.362 4.480 -0.001 0.000 0.263 85 M C 2.614 178.905 176.300 -0.015 0.000 1.069 85 M CA 2.264 57.553 55.300 -0.018 0.000 1.133 85 M CB -1.579 31.014 32.600 -0.012 0.000 1.356 85 M HN 0.390 8.680 8.290 -0.000 0.000 0.415 86 T N -2.728 111.812 114.554 -0.023 0.000 3.014 86 T HA 0.031 4.380 4.350 -0.001 0.000 0.263 86 T C 1.601 176.296 174.700 -0.007 0.000 1.078 86 T CA 1.000 63.093 62.100 -0.012 0.000 1.135 86 T CB 0.142 69.003 68.868 -0.012 0.000 0.895 86 T HN 0.434 8.674 8.240 -0.000 0.000 0.480 87 E N 0.136 120.316 120.200 -0.032 0.000 2.476 87 E HA 0.161 4.510 4.350 -0.001 0.000 0.193 87 E C 2.226 178.816 176.600 -0.016 0.000 0.966 87 E CA -0.297 56.089 56.400 -0.022 0.000 1.114 87 E CB 0.322 29.986 29.700 -0.060 0.000 1.151 87 E HN 0.068 8.428 8.360 -0.000 0.000 0.487 88 K N 1.331 121.637 120.400 -0.157 0.000 2.009 88 K HA -0.093 4.227 4.320 -0.001 0.000 0.210 88 K C 2.283 178.890 176.600 0.012 0.000 1.049 88 K CA 1.102 57.242 56.287 -0.245 0.000 0.929 88 K CB -0.541 31.422 32.500 -0.896 0.000 0.714 88 K HN 0.135 8.385 8.250 -0.000 0.000 0.440 89 L N 0.509 121.738 121.223 0.009 0.000 2.056 89 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 89 L C -0.585 176.363 176.870 0.130 0.000 1.078 89 L CA 1.128 56.033 54.840 0.108 0.000 0.749 89 L CB -1.399 40.706 42.059 0.076 0.000 0.901 89 L HN 0.093 8.323 8.230 -0.000 0.000 0.433 90 P HA -0.212 4.208 4.420 -0.000 0.000 0.217 90 P C 1.190 178.559 177.300 0.114 0.000 1.150 90 P CA 1.240 64.391 63.100 0.084 0.000 0.832 90 P CB -0.072 31.666 31.700 0.063 0.000 0.787 91 W N 0.269 121.580 121.300 0.019 0.000 2.335 91 W HA -0.176 4.483 4.660 -0.000 0.000 0.311 91 W C 1.831 178.416 176.519 0.110 0.000 1.213 91 W CA 1.480 58.852 57.345 0.045 0.000 1.274 91 W CB -0.912 28.572 29.460 0.040 0.000 1.148 91 W HN -0.195 7.985 8.180 -0.000 0.000 0.498 92 L N 0.398 121.811 121.223 0.316 0.000 2.056 92 L HA -0.221 4.119 4.340 -0.001 0.000 0.207 92 L C 2.305 179.229 176.870 0.091 0.000 1.078 92 L CA 1.838 56.831 54.840 0.255 0.000 0.749 92 L CB -1.120 41.164 42.059 0.374 0.000 0.901 92 L HN 0.073 8.303 8.230 -0.000 0.000 0.433 93 N N 0.048 118.782 118.700 0.057 0.000 2.188 93 N HA -0.233 4.507 4.740 -0.001 0.000 0.184 93 N C 1.814 177.278 175.510 -0.077 0.000 1.018 93 N CA 1.223 54.282 53.050 0.014 0.000 0.858 93 N CB 0.102 38.604 38.487 0.025 0.000 0.989 93 N HN 0.273 8.653 8.380 -0.000 0.000 0.426 94 E N -0.692 119.422 120.200 -0.143 0.000 2.106 94 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 94 E C 1.094 177.484 176.600 -0.351 0.000 0.984 94 E CA 1.231 57.504 56.400 -0.212 0.000 0.806 94 E CB 0.034 29.609 29.700 -0.208 0.000 0.750 94 E HN 0.441 8.801 8.360 -0.000 0.000 0.458 95 N N -1.401 116.961 118.700 -0.563 0.000 2.402 95 N HA 0.059 4.799 4.740 -0.001 0.000 0.174 95 N C -0.552 174.330 175.510 -1.047 0.000 1.027 95 N CA 0.528 53.042 53.050 -0.893 0.000 0.891 95 N CB 0.506 38.181 38.487 -1.353 0.000 1.016 95 N HN 0.019 8.399 8.380 -0.000 0.000 0.439 96 F N -0.909 118.912 119.950 -0.214 0.000 2.646 96 F HA 0.398 4.925 4.527 -0.001 0.000 0.336 96 F C -2.016 173.747 175.800 -0.062 0.000 1.437 96 F CA -1.821 56.119 58.000 -0.100 0.000 1.142 96 F CB 1.812 40.779 39.000 -0.055 0.000 1.530 96 F HN -0.154 8.146 8.300 -0.000 0.000 0.591 97 P HA -0.180 4.240 4.420 -0.000 0.000 0.217 97 P C 0.895 178.224 177.300 0.048 0.000 1.148 97 P CA 1.657 64.767 63.100 0.016 0.000 0.828 97 P CB 0.275 31.962 31.700 -0.022 0.000 0.783 98 E N -1.514 118.726 120.200 0.066 0.000 2.474 98 E HA 0.096 4.446 4.350 -0.001 0.000 0.194 98 E C 0.473 177.119 176.600 0.077 0.000 1.041 98 E CA -0.245 56.193 56.400 0.063 0.000 0.874 98 E CB -0.036 29.697 29.700 0.054 0.000 0.914 98 E HN 0.208 8.568 8.360 -0.000 0.000 0.498 99 L N 3.841 125.132 121.223 0.113 0.000 2.325 99 L HA 0.195 4.535 4.340 -0.001 0.000 0.284 99 L C -2.204 174.698 176.870 0.055 0.000 1.089 99 L CA -1.919 52.969 54.840 0.080 0.000 0.836 99 L CB 0.544 42.651 42.059 0.081 0.000 1.184 99 L HN -0.141 8.089 8.230 -0.000 0.000 0.444 100 P HA 0.141 4.561 4.420 -0.000 0.000 0.276 100 P C -0.749 176.554 177.300 0.006 0.000 1.235 100 P CA -0.220 62.893 63.100 0.021 0.000 0.772 100 P CB 1.177 32.883 31.700 0.010 0.000 0.871 101 I N 1.092 121.675 120.570 0.021 0.000 2.562 101 I HA 0.547 4.717 4.170 -0.001 0.000 0.301 101 I C -0.641 175.474 176.117 -0.004 0.000 1.003 101 I CA -1.242 60.065 61.300 0.011 0.000 1.127 101 I CB 1.569 39.605 38.000 0.060 0.000 1.304 101 I HN 0.123 8.333 8.210 -0.000 0.000 0.446 102 I N 5.830 126.375 120.570 -0.042 0.000 2.321 102 I HA 0.570 4.740 4.170 -0.001 0.000 0.291 102 I C 0.311 176.413 176.117 -0.025 0.000 0.998 102 I CA -0.592 60.673 61.300 -0.058 0.000 1.227 102 I CB 1.594 39.510 38.000 -0.140 0.000 1.368 102 I HN 0.827 9.037 8.210 -0.000 0.000 0.466 103 A N 6.602 129.428 122.820 0.011 0.000 2.276 103 A HA 0.267 4.587 4.320 -0.001 0.000 0.300 103 A C -0.077 177.518 177.584 0.019 0.000 1.235 103 A CA -0.511 51.546 52.037 0.033 0.000 0.867 103 A CB 0.213 19.249 19.000 0.060 0.000 1.137 103 A HN 0.799 8.949 8.150 -0.000 0.000 0.527 104 N N 2.687 121.388 118.700 0.002 0.000 2.444 104 N HA 0.372 5.111 4.740 -0.001 0.000 0.271 104 N C -1.114 174.403 175.510 0.011 0.000 1.069 104 N CA 0.014 53.064 53.050 -0.001 0.000 0.965 104 N CB 0.991 39.459 38.487 -0.032 0.000 1.092 104 N HN 0.299 8.679 8.380 -0.000 0.000 0.476 105 V N 1.981 121.911 119.914 0.027 0.000 2.555 105 V HA 0.773 4.892 4.120 -0.001 0.000 0.302 105 V C 0.038 176.097 176.094 -0.059 0.000 1.038 105 V CA -0.699 61.595 62.300 -0.010 0.000 0.887 105 V CB 1.132 32.975 31.823 0.034 0.000 0.991 105 V HN 0.842 9.032 8.190 -0.000 0.000 0.434 106 A N 2.828 125.495 122.820 -0.254 0.000 2.530 106 A HA 1.091 5.410 4.320 -0.001 0.000 0.288 106 A C -0.108 176.973 177.584 -0.838 0.000 1.172 106 A CA -0.205 51.582 52.037 -0.417 0.000 0.733 106 A CB 2.185 21.106 19.000 -0.131 0.000 1.320 106 A HN 1.653 9.803 8.150 -0.000 0.000 0.419 107 G N -1.651 106.676 108.800 -0.788 0.000 2.356 107 G HA2 0.527 4.486 3.960 -0.001 0.000 0.294 107 G HA3 0.527 4.486 3.960 -0.001 0.000 0.294 107 G C 0.138 175.065 174.900 0.045 0.000 1.423 107 G CA 0.544 45.346 45.100 -0.498 0.000 0.806 107 G HN 1.594 9.884 8.290 -0.000 0.000 0.527 108 S N -1.521 114.280 115.700 0.169 0.000 2.511 108 S HA 0.369 4.838 4.470 -0.001 0.000 0.214 108 S C 0.527 175.405 174.600 0.464 0.000 0.997 108 S CA 0.905 59.289 58.200 0.307 0.000 0.908 108 S CB -0.025 63.277 63.200 0.171 0.000 0.803 108 S HN 0.994 9.304 8.310 -0.000 0.000 0.504 109 E N -0.007 120.473 120.200 0.466 0.000 2.445 109 E HA 0.401 4.750 4.350 -0.001 0.000 0.279 109 E C 0.028 176.867 176.600 0.398 0.000 1.018 109 E CA -0.941 55.757 56.400 0.497 0.000 0.816 109 E CB 0.513 30.379 29.700 0.277 0.000 1.356 109 E HN -0.037 8.323 8.360 -0.000 0.000 0.462 110 E N 0.687 121.061 120.200 0.291 0.000 2.097 110 E HA -0.282 4.067 4.350 -0.001 0.000 0.196 110 E C 1.844 178.528 176.600 0.139 0.000 1.000 110 E CA 1.922 58.397 56.400 0.125 0.000 0.804 110 E CB -0.231 29.519 29.700 0.084 0.000 0.740 110 E HN 0.605 8.965 8.360 -0.000 0.000 0.454 111 A N 1.180 124.078 122.820 0.131 0.000 1.940 111 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 111 A C 1.723 179.359 177.584 0.087 0.000 1.176 111 A CA 2.000 54.094 52.037 0.096 0.000 0.631 111 A CB -0.459 18.594 19.000 0.088 0.000 0.814 111 A HN 0.282 8.432 8.150 -0.000 0.000 0.446 112 D N -1.482 118.979 120.400 0.102 0.000 2.123 112 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 112 D C 1.671 177.959 176.300 -0.021 0.000 0.976 112 D CA 1.255 55.270 54.000 0.024 0.000 0.831 112 D CB -0.466 40.328 40.800 -0.010 0.000 0.974 112 D HN 0.608 8.978 8.370 -0.000 0.000 0.469 113 Y N 0.897 121.163 120.300 -0.057 0.000 2.181 113 Y HA -0.166 4.383 4.550 -0.001 0.000 0.288 113 Y C 2.565 178.430 175.900 -0.059 0.000 1.146 113 Y CA 0.595 58.643 58.100 -0.086 0.000 1.164 113 Y CB -0.554 37.803 38.460 -0.172 0.000 0.982 113 Y HN -0.180 8.100 8.280 -0.000 0.000 0.515 114 V N -0.258 119.728 119.914 0.120 0.000 2.287 114 V HA -0.375 3.744 4.120 -0.001 0.000 0.248 114 V C 2.492 178.605 176.094 0.031 0.000 1.053 114 V CA 1.797 64.132 62.300 0.058 0.000 1.027 114 V CB -1.355 30.494 31.823 0.044 0.000 0.646 114 V HN 0.489 8.679 8.190 -0.000 0.000 0.447 115 A N -0.307 122.525 122.820 0.019 0.000 1.883 115 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 115 A C 2.381 179.956 177.584 -0.015 0.000 1.186 115 A CA 2.289 54.323 52.037 -0.005 0.000 0.624 115 A CB -0.709 18.276 19.000 -0.025 0.000 0.822 115 A HN 0.351 8.501 8.150 -0.000 0.000 0.444 116 V N -0.944 118.956 119.914 -0.023 0.000 2.307 116 V HA -0.294 3.826 4.120 -0.001 0.000 0.245 116 V C 2.657 178.753 176.094 0.003 0.000 1.045 116 V CA 1.929 64.214 62.300 -0.024 0.000 1.024 116 V CB -1.189 30.604 31.823 -0.051 0.000 0.651 116 V HN 0.703 8.893 8.190 -0.000 0.000 0.449 117 C N 0.532 119.845 119.300 0.021 0.000 2.413 117 C HA -0.136 4.324 4.460 -0.001 0.000 0.277 117 C C 3.083 178.086 174.990 0.022 0.000 1.265 117 C CA 0.940 59.977 59.018 0.031 0.000 1.752 117 C CB -1.378 26.387 27.740 0.042 0.000 1.998 117 C HN 0.634 8.864 8.230 -0.000 0.000 0.489 118 A N -0.209 122.620 122.820 0.015 0.000 2.015 118 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 118 A C 2.063 179.652 177.584 0.009 0.000 1.163 118 A CA 2.099 54.143 52.037 0.011 0.000 0.646 118 A CB -0.292 18.713 19.000 0.009 0.000 0.806 118 A HN 0.573 8.723 8.150 -0.000 0.000 0.448 119 K N -0.444 119.960 120.400 0.006 0.000 2.190 119 K HA 0.269 4.589 4.320 -0.001 0.000 0.202 119 K C 1.575 178.181 176.600 0.010 0.000 1.045 119 K CA 0.678 56.968 56.287 0.004 0.000 0.976 119 K CB -0.411 32.085 32.500 -0.006 0.000 0.849 119 K HN 0.277 8.527 8.250 -0.000 0.000 0.468 120 I N 0.717 121.296 120.570 0.015 0.000 2.423 120 I HA -0.165 4.004 4.170 -0.001 0.000 0.254 120 I C 1.610 177.745 176.117 0.032 0.000 1.151 120 I CA 1.557 62.872 61.300 0.026 0.000 1.421 120 I CB -0.197 37.824 38.000 0.034 0.000 1.079 120 I HN 0.398 8.608 8.210 -0.000 0.000 0.431 121 G N -0.513 108.304 108.800 0.028 0.000 2.559 121 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.216 121 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.216 121 G C 1.104 176.020 174.900 0.026 0.000 1.126 121 G CA 0.544 45.663 45.100 0.030 0.000 0.778 121 G HN 0.335 8.625 8.290 -0.000 0.000 0.543 122 D N 0.792 121.205 120.400 0.022 0.000 2.312 122 D HA 0.110 4.750 4.640 -0.001 0.000 0.211 122 D C 1.680 177.993 176.300 0.022 0.000 0.964 122 D CA 0.469 54.480 54.000 0.018 0.000 0.877 122 D CB -0.004 40.804 40.800 0.013 0.000 0.924 122 D HN 0.295 8.665 8.370 -0.000 0.000 0.515 123 A N 0.484 123.320 122.820 0.028 0.000 2.491 123 A HA 0.426 4.745 4.320 -0.001 0.000 0.261 123 A C 1.599 179.203 177.584 0.034 0.000 1.101 123 A CA 0.362 52.419 52.037 0.034 0.000 0.772 123 A CB 0.517 19.545 19.000 0.046 0.000 1.043 123 A HN 0.135 8.285 8.150 -0.000 0.000 0.501 124 A N 3.204 126.042 122.820 0.030 0.000 1.948 124 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 124 A C 1.791 179.396 177.584 0.035 0.000 1.177 124 A CA 1.977 54.031 52.037 0.028 0.000 0.636 124 A CB -0.585 18.428 19.000 0.021 0.000 0.815 124 A HN 0.984 9.134 8.150 -0.000 0.000 0.449 125 N N -0.208 118.519 118.700 0.044 0.000 2.463 125 N HA 0.010 4.750 4.740 -0.001 0.000 0.181 125 N C 0.103 175.646 175.510 0.055 0.000 1.078 125 N CA 0.596 53.678 53.050 0.054 0.000 0.902 125 N CB -0.691 37.839 38.487 0.071 0.000 0.970 125 N HN 0.187 8.567 8.380 -0.000 0.000 0.451 126 V N 2.155 122.101 119.914 0.054 0.000 2.415 126 V HA 0.096 4.216 4.120 -0.001 0.000 0.267 126 V C 0.949 177.069 176.094 0.045 0.000 1.042 126 V CA -0.138 62.194 62.300 0.052 0.000 1.000 126 V CB 1.038 32.895 31.823 0.055 0.000 1.015 126 V HN 0.157 8.347 8.190 -0.000 0.000 0.478 127 K N 3.370 123.794 120.400 0.040 0.000 2.361 127 K HA 0.504 4.824 4.320 -0.001 0.000 0.194 127 K C 0.367 177.006 176.600 0.066 0.000 1.032 127 K CA 0.506 56.819 56.287 0.045 0.000 1.048 127 K CB 1.063 33.584 32.500 0.035 0.000 0.842 127 K HN 0.709 8.959 8.250 -0.000 0.000 0.526 128 A N 0.604 123.463 122.820 0.065 0.000 2.608 128 A HA 0.669 4.989 4.320 -0.001 0.000 0.292 128 A C -1.460 176.180 177.584 0.094 0.000 1.066 128 A CA -0.725 51.385 52.037 0.121 0.000 0.676 128 A CB 0.937 20.038 19.000 0.169 0.000 1.277 128 A HN 0.052 8.202 8.150 -0.000 0.000 0.413 129 I N 0.709 121.367 120.570 0.146 0.000 2.474 129 I HA 0.447 4.617 4.170 -0.001 0.000 0.294 129 I C -0.036 176.163 176.117 0.138 0.000 1.005 129 I CA -0.261 61.102 61.300 0.106 0.000 1.113 129 I CB 2.056 40.109 38.000 0.089 0.000 1.289 129 I HN 0.788 8.998 8.210 -0.000 0.000 0.436 130 E N 6.819 127.065 120.200 0.076 0.000 2.114 130 E HA 0.381 4.730 4.350 -0.001 0.000 0.266 130 E C -1.324 175.322 176.600 0.077 0.000 0.896 130 E CA -0.621 55.822 56.400 0.072 0.000 0.750 130 E CB 1.187 30.886 29.700 -0.002 0.000 1.121 130 E HN 0.534 8.894 8.360 -0.000 0.000 0.413 131 L N 4.721 125.997 121.223 0.089 0.000 2.325 131 L HA 0.174 4.514 4.340 -0.001 0.000 0.284 131 L C 0.221 177.154 176.870 0.105 0.000 1.089 131 L CA -0.428 54.475 54.840 0.104 0.000 0.836 131 L CB 0.432 42.512 42.059 0.035 0.000 1.184 131 L HN 0.500 8.730 8.230 -0.000 0.000 0.444 132 N N 5.137 123.934 118.700 0.162 0.000 2.482 132 N HA 0.087 4.827 4.740 -0.001 0.000 0.242 132 N C 0.662 176.297 175.510 0.207 0.000 1.100 132 N CA -0.240 52.895 53.050 0.140 0.000 0.946 132 N CB 0.585 39.136 38.487 0.107 0.000 1.227 132 N HN 0.591 8.971 8.380 -0.000 0.000 0.508 133 I N -0.152 120.487 120.570 0.114 0.000 3.812 133 I HA 0.197 4.366 4.170 -0.001 0.000 0.320 133 I C 0.546 176.784 176.117 0.202 0.000 1.276 133 I CA -0.098 61.266 61.300 0.106 0.000 1.164 133 I CB 0.073 38.074 38.000 0.000 0.000 1.009 133 I HN 0.123 8.333 8.210 -0.000 0.000 0.431 134 S N 0.666 116.465 115.700 0.166 0.000 2.720 134 S HA 0.133 4.603 4.470 -0.001 0.000 0.222 134 S C 0.742 175.451 174.600 0.181 0.000 0.958 134 S CA -0.155 58.130 58.200 0.142 0.000 0.943 134 S CB -0.715 62.538 63.200 0.090 0.000 0.779 134 S HN 0.543 8.853 8.310 -0.000 0.000 0.526 135 C N 2.977 122.458 119.300 0.302 0.000 2.539 135 C HA 0.364 4.823 4.460 -0.001 0.000 0.392 135 C C -2.235 172.921 174.990 0.277 0.000 1.269 135 C CA -1.736 57.474 59.018 0.319 0.000 2.250 135 C CB 0.332 28.324 27.740 0.420 0.000 2.584 135 C HN 0.239 8.469 8.230 -0.000 0.000 0.589 136 P HA 0.071 4.491 4.420 -0.000 0.000 0.271 136 P C -0.416 176.817 177.300 -0.111 0.000 1.233 136 P CA 0.325 63.419 63.100 -0.011 0.000 0.764 136 P CB 0.156 31.869 31.700 0.022 0.000 0.825 137 N N 3.123 121.536 118.700 -0.478 0.000 2.415 137 N HA 0.030 4.770 4.740 -0.001 0.000 0.250 137 N C 1.355 176.755 175.510 -0.182 0.000 1.127 137 N CA -0.431 52.215 53.050 -0.673 0.000 0.945 137 N CB 0.623 38.362 38.487 -1.247 0.000 1.196 137 N HN 0.123 8.503 8.380 -0.000 0.000 0.499 138 V N 2.423 122.326 119.914 -0.018 0.000 2.469 138 V HA -0.202 3.918 4.120 -0.001 0.000 0.251 138 V C 2.036 178.142 176.094 0.020 0.000 1.064 138 V CA 1.162 63.473 62.300 0.019 0.000 1.066 138 V CB -0.454 31.404 31.823 0.059 0.000 0.667 138 V HN 0.540 8.730 8.190 -0.000 0.000 0.461 139 K N -0.183 120.243 120.400 0.044 0.000 2.057 139 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 139 K C 1.829 178.461 176.600 0.053 0.000 1.050 139 K CA 1.502 57.826 56.287 0.062 0.000 0.935 139 K CB -0.629 31.936 32.500 0.108 0.000 0.715 139 K HN 0.666 8.916 8.250 -0.000 0.000 0.439 140 H N -0.021 118.998 119.070 -0.086 0.000 2.727 140 H HA 0.103 4.659 4.556 -0.001 0.000 0.312 140 H C 0.521 175.797 175.328 -0.086 0.000 1.204 140 H CA 0.454 56.447 56.048 -0.091 0.000 1.122 140 H CB -0.204 29.479 29.762 -0.133 0.000 1.453 140 H HN 0.452 8.732 8.280 -0.000 0.000 0.514 141 G N 0.313 109.075 108.800 -0.063 0.000 2.228 141 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.270 141 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.270 141 G C 1.060 175.939 174.900 -0.036 0.000 0.976 141 G CA 0.374 45.438 45.100 -0.060 0.000 0.636 141 G HN 0.937 9.227 8.290 -0.000 0.000 0.542 142 G N -1.385 107.391 108.800 -0.040 0.000 2.164 142 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.154 142 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.154 142 G C 0.043 174.907 174.900 -0.060 0.000 1.014 142 G CA 0.999 46.073 45.100 -0.044 0.000 0.683 142 G HN 1.306 9.596 8.290 -0.000 0.000 0.500 143 Q N 1.025 120.786 119.800 -0.064 0.000 2.296 143 Q HA 0.603 4.943 4.340 -0.001 0.000 0.262 143 Q C 0.705 176.593 176.000 -0.188 0.000 0.981 143 Q CA 0.302 56.065 55.803 -0.066 0.000 0.905 143 Q CB 0.897 29.654 28.738 0.031 0.000 1.186 143 Q HN 0.889 9.159 8.270 -0.000 0.000 0.399 144 A N 4.191 126.945 122.820 -0.111 0.000 2.540 144 A HA 0.041 4.361 4.320 -0.001 0.000 0.239 144 A C 0.252 177.774 177.584 -0.104 0.000 1.061 144 A CA -0.125 51.861 52.037 -0.086 0.000 0.758 144 A CB -0.098 18.916 19.000 0.024 0.000 0.991 144 A HN 0.888 9.038 8.150 -0.000 0.000 0.502 145 F N 2.174 122.113 119.950 -0.019 0.000 2.250 145 F HA -0.060 4.466 4.527 -0.001 0.000 0.301 145 F C 2.346 178.102 175.800 -0.073 0.000 1.077 145 F CA 1.686 59.641 58.000 -0.076 0.000 1.348 145 F CB -0.297 38.624 39.000 -0.132 0.000 1.040 145 F HN 0.639 8.939 8.300 -0.000 0.000 0.509 146 G N -0.992 107.897 108.800 0.149 0.000 2.956 146 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.207 146 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.207 146 G C 1.388 176.307 174.900 0.032 0.000 1.162 146 G CA 0.952 46.095 45.100 0.072 0.000 0.796 146 G HN 0.413 8.703 8.290 -0.000 0.000 0.527 147 T N -4.184 110.379 114.554 0.015 0.000 3.023 147 T HA 0.177 4.526 4.350 -0.001 0.000 0.253 147 T C 0.132 174.824 174.700 -0.014 0.000 1.038 147 T CA -0.162 61.938 62.100 -0.000 0.000 0.962 147 T CB 0.713 69.579 68.868 -0.002 0.000 1.018 147 T HN 0.020 8.260 8.240 -0.000 0.000 0.521 148 D N 1.538 121.921 120.400 -0.028 0.000 2.481 148 D HA 0.369 5.009 4.640 -0.001 0.000 0.246 148 D C -2.189 174.090 176.300 -0.036 0.000 1.109 148 D CA -2.252 51.722 54.000 -0.044 0.000 0.845 148 D CB 2.662 43.404 40.800 -0.097 0.000 1.160 148 D HN -0.145 8.225 8.370 -0.000 0.000 0.534 149 P HA -0.115 4.305 4.420 -0.000 0.000 0.215 149 P C 0.684 177.967 177.300 -0.029 0.000 1.153 149 P CA 1.160 64.246 63.100 -0.024 0.000 0.853 149 P CB 0.613 32.301 31.700 -0.020 0.000 0.788 150 E N -0.974 119.205 120.200 -0.034 0.000 2.152 150 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 150 E C 1.987 178.562 176.600 -0.042 0.000 0.983 150 E CA 0.667 57.046 56.400 -0.034 0.000 0.818 150 E CB -1.134 28.549 29.700 -0.029 0.000 0.758 150 E HN 0.024 8.384 8.360 -0.000 0.000 0.467 151 V N 0.687 120.563 119.914 -0.063 0.000 2.453 151 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 151 V C 2.140 178.236 176.094 0.003 0.000 1.048 151 V CA 1.665 63.931 62.300 -0.058 0.000 1.049 151 V CB -0.667 31.065 31.823 -0.152 0.000 0.672 151 V HN 0.324 8.514 8.190 -0.000 0.000 0.457 152 A N 0.081 122.898 122.820 -0.004 0.000 1.898 152 A HA -0.047 4.273 4.320 -0.001 0.000 0.216 152 A C 2.432 179.983 177.584 -0.055 0.000 1.181 152 A CA 1.862 53.888 52.037 -0.019 0.000 0.620 152 A CB -0.746 18.245 19.000 -0.014 0.000 0.819 152 A HN 0.531 8.681 8.150 -0.000 0.000 0.442 153 A N 0.087 122.881 122.820 -0.043 0.000 1.883 153 A HA 0.104 4.424 4.320 -0.001 0.000 0.217 153 A C 2.530 180.085 177.584 -0.049 0.000 1.186 153 A CA 2.295 54.304 52.037 -0.045 0.000 0.624 153 A CB -1.137 17.843 19.000 -0.035 0.000 0.822 153 A HN 1.099 9.249 8.150 -0.000 0.000 0.444 154 A N -0.516 122.280 122.820 -0.039 0.000 1.908 154 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 154 A C 2.184 179.734 177.584 -0.057 0.000 1.181 154 A CA 1.881 53.898 52.037 -0.034 0.000 0.627 154 A CB -0.683 18.308 19.000 -0.014 0.000 0.818 154 A HN 0.792 8.942 8.150 -0.000 0.000 0.445 155 L N -0.149 121.018 121.223 -0.093 0.000 2.017 155 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 155 L C 2.374 179.143 176.870 -0.168 0.000 1.073 155 L CA 1.948 56.676 54.840 -0.187 0.000 0.745 155 L CB -0.471 41.362 42.059 -0.378 0.000 0.894 155 L HN 0.147 8.377 8.230 -0.000 0.000 0.432 156 V N 0.043 119.875 119.914 -0.138 0.000 2.343 156 V HA -0.325 3.795 4.120 -0.001 0.000 0.247 156 V C 2.654 178.704 176.094 -0.074 0.000 1.051 156 V CA 2.199 64.435 62.300 -0.106 0.000 1.036 156 V CB -0.779 30.992 31.823 -0.087 0.000 0.654 156 V HN 0.544 8.734 8.190 -0.000 0.000 0.451 157 K N 0.303 120.666 120.400 -0.061 0.000 2.002 157 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 157 K C 2.238 178.816 176.600 -0.037 0.000 1.048 157 K CA 1.667 57.927 56.287 -0.044 0.000 0.930 157 K CB -0.408 32.071 32.500 -0.035 0.000 0.714 157 K HN 0.402 8.652 8.250 -0.000 0.000 0.438 158 A N 0.819 123.615 122.820 -0.040 0.000 1.883 158 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 158 A C 2.449 180.018 177.584 -0.025 0.000 1.186 158 A CA 1.863 53.883 52.037 -0.028 0.000 0.624 158 A CB -1.098 17.886 19.000 -0.027 0.000 0.822 158 A HN 0.603 8.753 8.150 -0.000 0.000 0.444 159 C N -1.114 118.162 119.300 -0.039 0.000 2.435 159 C HA 0.002 4.462 4.460 -0.001 0.000 0.279 159 C C 2.666 177.646 174.990 -0.016 0.000 1.321 159 C CA 1.367 60.372 59.018 -0.021 0.000 1.752 159 C CB -0.808 26.915 27.740 -0.029 0.000 1.959 159 C HN 0.677 8.907 8.230 -0.000 0.000 0.500 160 K N 2.131 122.514 120.400 -0.028 0.000 2.057 160 K HA 0.001 4.321 4.320 -0.001 0.000 0.206 160 K C 2.021 178.610 176.600 -0.017 0.000 1.050 160 K CA 1.805 58.077 56.287 -0.026 0.000 0.935 160 K CB -0.628 31.851 32.500 -0.037 0.000 0.715 160 K HN 0.337 8.587 8.250 -0.000 0.000 0.439 161 A N 0.094 122.905 122.820 -0.016 0.000 2.076 161 A HA -0.093 4.226 4.320 -0.001 0.000 0.220 161 A C 1.919 179.500 177.584 -0.005 0.000 1.160 161 A CA 1.880 53.910 52.037 -0.010 0.000 0.653 161 A CB -0.579 18.415 19.000 -0.009 0.000 0.801 161 A HN 0.294 8.444 8.150 -0.000 0.000 0.455 162 V N -4.316 115.597 119.914 -0.002 0.000 3.528 162 V HA 0.288 4.407 4.120 -0.001 0.000 0.294 162 V C 0.474 176.572 176.094 0.007 0.000 1.404 162 V CA 0.187 62.489 62.300 0.003 0.000 1.065 162 V CB -0.174 31.653 31.823 0.007 0.000 0.904 162 V HN 0.191 8.381 8.190 -0.000 0.000 0.435 163 S N 1.882 117.585 115.700 0.006 0.000 2.562 163 S HA 0.478 4.948 4.470 -0.001 0.000 0.275 163 S C 0.645 175.251 174.600 0.010 0.000 1.281 163 S CA -0.579 57.628 58.200 0.012 0.000 1.045 163 S CB 1.471 64.680 63.200 0.014 0.000 0.962 163 S HN 0.352 8.662 8.310 -0.000 0.000 0.503 164 K N 1.064 121.474 120.400 0.016 0.000 2.367 164 K HA 0.170 4.490 4.320 -0.001 0.000 0.194 164 K C 0.562 177.174 176.600 0.020 0.000 1.027 164 K CA 0.262 56.558 56.287 0.015 0.000 1.075 164 K CB -0.173 32.336 32.500 0.015 0.000 0.845 164 K HN 0.595 8.845 8.250 -0.000 0.000 0.529 165 V N -1.850 118.081 119.914 0.027 0.000 3.126 165 V HA 0.615 4.734 4.120 -0.001 0.000 0.314 165 V C -2.875 173.243 176.094 0.040 0.000 1.138 165 V CA -2.972 59.351 62.300 0.039 0.000 1.034 165 V CB 1.788 33.643 31.823 0.054 0.000 1.075 165 V HN -0.236 7.954 8.190 -0.000 0.000 0.442 166 P HA 0.332 4.752 4.420 -0.000 0.000 0.269 166 P C -1.099 176.231 177.300 0.050 0.000 1.209 166 P CA 0.001 63.110 63.100 0.016 0.000 0.776 166 P CB 0.368 32.082 31.700 0.022 0.000 0.876 167 L N 4.379 125.569 121.223 -0.055 0.000 2.298 167 L HA 0.419 4.759 4.340 -0.001 0.000 0.284 167 L C -1.346 175.465 176.870 -0.099 0.000 1.013 167 L CA -0.482 54.354 54.840 -0.008 0.000 0.824 167 L CB 0.127 42.170 42.059 -0.027 0.000 1.221 167 L HN 0.252 8.482 8.230 -0.000 0.000 0.418 168 Y N 3.628 123.918 120.300 -0.017 0.000 2.360 168 Y HA 0.621 5.171 4.550 -0.001 0.000 0.337 168 Y C -0.124 175.762 175.900 -0.023 0.000 1.039 168 Y CA -0.667 57.420 58.100 -0.022 0.000 1.109 168 Y CB 1.970 40.416 38.460 -0.023 0.000 1.201 168 Y HN 0.240 8.520 8.280 -0.000 0.000 0.458 169 V N 4.028 124.007 119.914 0.108 0.000 2.417 169 V HA 0.304 4.424 4.120 -0.001 0.000 0.291 169 V C -0.316 175.809 176.094 0.053 0.000 1.024 169 V CA -1.429 60.901 62.300 0.049 0.000 0.861 169 V CB 1.485 33.305 31.823 -0.006 0.000 0.985 169 V HN 0.600 8.790 8.190 -0.000 0.000 0.436 170 K N 5.441 125.867 120.400 0.044 0.000 2.262 170 K HA 0.518 4.838 4.320 -0.001 0.000 0.282 170 K C -0.741 175.874 176.600 0.024 0.000 1.066 170 K CA -0.484 55.822 56.287 0.031 0.000 0.901 170 K CB 0.604 33.119 32.500 0.025 0.000 1.089 170 K HN 0.603 8.853 8.250 -0.000 0.000 0.476 171 L N 2.435 123.668 121.223 0.016 0.000 2.395 171 L HA 0.181 4.521 4.340 -0.001 0.000 0.269 171 L C 0.605 177.484 176.870 0.016 0.000 1.133 171 L CA -0.435 54.413 54.840 0.014 0.000 0.812 171 L CB 1.499 43.562 42.059 0.005 0.000 1.125 171 L HN 0.613 8.843 8.230 -0.000 0.000 0.452 172 S N 2.560 118.273 115.700 0.021 0.000 2.554 172 S HA 0.407 4.877 4.470 -0.001 0.000 0.278 172 S C -1.547 173.062 174.600 0.015 0.000 1.242 172 S CA -1.330 56.884 58.200 0.023 0.000 1.051 172 S CB 1.240 64.460 63.200 0.033 0.000 0.986 172 S HN 0.497 8.807 8.310 -0.000 0.000 0.502 173 P HA 0.125 4.545 4.420 -0.000 0.000 0.257 173 P C -0.360 176.946 177.300 0.011 0.000 1.241 173 P CA 0.067 63.172 63.100 0.009 0.000 0.816 173 P CB 0.026 31.730 31.700 0.007 0.000 1.150 174 N N 1.455 120.163 118.700 0.014 0.000 3.243 174 N HA 0.132 4.871 4.740 -0.001 0.000 0.310 174 N C 0.257 175.774 175.510 0.012 0.000 1.313 174 N CA 0.249 53.308 53.050 0.014 0.000 1.204 174 N CB 0.191 38.688 38.487 0.017 0.000 1.483 174 N HN 0.182 8.562 8.380 -0.000 0.000 0.553 175 V N -3.815 116.105 119.914 0.010 0.000 3.078 175 V HA 0.452 4.572 4.120 -0.001 0.000 0.311 175 V C 1.140 177.238 176.094 0.006 0.000 1.138 175 V CA -0.813 61.492 62.300 0.008 0.000 1.007 175 V CB 1.580 33.406 31.823 0.006 0.000 1.045 175 V HN -0.028 8.162 8.190 -0.000 0.000 0.432 176 T N 0.648 115.205 114.554 0.005 0.000 2.812 176 T HA 0.017 4.366 4.350 -0.001 0.000 0.264 176 T C 0.262 174.964 174.700 0.003 0.000 1.042 176 T CA 2.197 64.300 62.100 0.005 0.000 1.140 176 T CB -0.231 68.639 68.868 0.004 0.000 0.870 176 T HN 0.923 9.163 8.240 -0.000 0.000 0.445 177 D N -0.581 119.820 120.400 0.001 0.000 2.602 177 D HA 0.294 4.934 4.640 -0.001 0.000 0.245 177 D C 0.194 176.493 176.300 -0.003 0.000 1.325 177 D CA -0.457 53.542 54.000 -0.001 0.000 0.952 177 D CB 0.934 41.733 40.800 -0.003 0.000 1.317 177 D HN 0.059 8.429 8.370 -0.000 0.000 0.577 178 I N 3.358 123.926 120.570 -0.004 0.000 3.059 178 I HA -0.099 4.070 4.170 -0.001 0.000 0.270 178 I C 1.484 177.594 176.117 -0.012 0.000 1.238 178 I CA 0.364 61.661 61.300 -0.006 0.000 1.478 178 I CB 0.484 38.481 38.000 -0.005 0.000 1.097 178 I HN 0.277 8.487 8.210 -0.000 0.000 0.455 179 V N 2.604 122.509 119.914 -0.015 0.000 2.287 179 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 179 V C -0.330 175.752 176.094 -0.020 0.000 1.053 179 V CA 2.215 64.502 62.300 -0.021 0.000 1.027 179 V CB -1.958 29.851 31.823 -0.023 0.000 0.646 179 V HN 0.366 8.556 8.190 -0.000 0.000 0.447 180 P HA -0.104 4.316 4.420 -0.000 0.000 0.217 180 P C 1.775 179.064 177.300 -0.018 0.000 1.150 180 P CA 1.469 64.559 63.100 -0.016 0.000 0.832 180 P CB -0.032 31.660 31.700 -0.013 0.000 0.787 181 I N -0.786 119.775 120.570 -0.016 0.000 2.252 181 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 181 I C 2.338 178.443 176.117 -0.020 0.000 1.102 181 I CA 1.389 62.680 61.300 -0.016 0.000 1.385 181 I CB -0.852 37.142 38.000 -0.010 0.000 1.064 181 I HN -0.091 8.119 8.210 -0.000 0.000 0.414 182 A N 1.095 123.903 122.820 -0.020 0.000 1.858 182 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 182 A C 2.335 179.902 177.584 -0.029 0.000 1.190 182 A CA 1.664 53.687 52.037 -0.025 0.000 0.617 182 A CB -0.484 18.501 19.000 -0.026 0.000 0.827 182 A HN 0.305 8.455 8.150 -0.000 0.000 0.443 183 K N -0.303 120.080 120.400 -0.028 0.000 2.057 183 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 183 K C 2.326 178.909 176.600 -0.029 0.000 1.049 183 K CA 1.148 57.417 56.287 -0.029 0.000 0.931 183 K CB -0.362 32.122 32.500 -0.026 0.000 0.714 183 K HN 0.447 8.697 8.250 -0.000 0.000 0.440 184 A N 1.145 123.948 122.820 -0.027 0.000 1.877 184 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 184 A C 2.398 179.961 177.584 -0.034 0.000 1.186 184 A CA 1.424 53.444 52.037 -0.028 0.000 0.620 184 A CB -0.696 18.289 19.000 -0.026 0.000 0.822 184 A HN 0.083 8.233 8.150 -0.000 0.000 0.443 185 V N -0.003 119.889 119.914 -0.036 0.000 2.515 185 V HA -0.237 3.883 4.120 -0.001 0.000 0.250 185 V C 2.508 178.573 176.094 -0.049 0.000 1.058 185 V CA 2.273 64.546 62.300 -0.044 0.000 1.064 185 V CB -0.515 31.283 31.823 -0.041 0.000 0.675 185 V HN 0.776 8.966 8.190 -0.000 0.000 0.461 186 E N 0.162 120.335 120.200 -0.046 0.000 2.072 186 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 186 E C 2.230 178.802 176.600 -0.047 0.000 0.985 186 E CA 1.184 57.554 56.400 -0.051 0.000 0.801 186 E CB -0.187 29.486 29.700 -0.046 0.000 0.750 186 E HN 0.563 8.923 8.360 -0.000 0.000 0.452 187 A N 0.978 123.774 122.820 -0.039 0.000 2.019 187 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 187 A C 2.243 179.806 177.584 -0.036 0.000 1.164 187 A CA 1.492 53.508 52.037 -0.034 0.000 0.644 187 A CB -0.481 18.501 19.000 -0.029 0.000 0.805 187 A HN 0.372 8.522 8.150 -0.000 0.000 0.449 188 A N -2.084 120.712 122.820 -0.040 0.000 2.206 188 A HA 0.397 4.716 4.320 -0.001 0.000 0.211 188 A C 1.734 179.290 177.584 -0.046 0.000 1.158 188 A CA 1.406 53.418 52.037 -0.042 0.000 0.761 188 A CB -0.611 18.362 19.000 -0.046 0.000 0.801 188 A HN 1.760 9.910 8.150 -0.000 0.000 0.473 189 G N -2.549 106.220 108.800 -0.052 0.000 2.205 189 G HA2 0.201 4.161 3.960 -0.001 0.000 0.180 189 G HA3 0.201 4.161 3.960 -0.001 0.000 0.180 189 G C 0.398 175.252 174.900 -0.077 0.000 1.004 189 G CA 0.009 45.074 45.100 -0.058 0.000 0.670 189 G HN 1.443 9.733 8.290 -0.000 0.000 0.496 190 A N 0.536 123.304 122.820 -0.086 0.000 2.498 190 A HA 0.490 4.810 4.320 -0.001 0.000 0.239 190 A C 1.116 178.600 177.584 -0.167 0.000 1.068 190 A CA 0.978 52.943 52.037 -0.120 0.000 0.766 190 A CB 0.252 19.190 19.000 -0.103 0.000 1.003 190 A HN 0.232 8.382 8.150 -0.000 0.000 0.497 191 D N 1.023 121.263 120.400 -0.266 0.000 2.333 191 D HA 0.235 4.875 4.640 -0.001 0.000 0.208 191 D C 0.866 176.890 176.300 -0.460 0.000 0.984 191 D CA 1.566 55.361 54.000 -0.343 0.000 0.873 191 D CB 0.485 41.045 40.800 -0.400 0.000 0.935 191 D HN 0.775 9.145 8.370 -0.000 0.000 0.521 192 G N -0.208 108.282 108.800 -0.516 0.000 2.441 192 G HA2 0.520 4.480 3.960 -0.001 0.000 0.294 192 G HA3 0.520 4.480 3.960 -0.001 0.000 0.294 192 G C -1.956 172.895 174.900 -0.083 0.000 1.393 192 G CA -0.757 44.142 45.100 -0.334 0.000 0.796 192 G HN 0.021 8.311 8.290 -0.000 0.000 0.494 193 L N 0.125 121.409 121.223 0.102 0.000 2.393 193 L HA 0.837 5.176 4.340 -0.001 0.000 0.260 193 L C 0.089 177.039 176.870 0.134 0.000 1.002 193 L CA -0.932 53.972 54.840 0.106 0.000 0.818 193 L CB 2.877 44.952 42.059 0.027 0.000 1.369 193 L HN 0.911 9.141 8.230 -0.000 0.000 0.412 194 T N -0.061 114.542 114.554 0.081 0.000 2.900 194 T HA 0.902 5.252 4.350 -0.001 0.000 0.295 194 T C -0.722 173.979 174.700 0.002 0.000 1.044 194 T CA -0.729 61.383 62.100 0.021 0.000 0.995 194 T CB 2.001 70.862 68.868 -0.013 0.000 1.072 194 T HN 0.692 8.932 8.240 -0.000 0.000 0.473 195 M N 1.866 121.454 119.600 -0.019 0.000 2.660 195 M HA 0.588 5.068 4.480 -0.001 0.000 0.281 195 M C -1.697 174.584 176.300 -0.031 0.000 1.131 195 M CA -1.168 54.121 55.300 -0.018 0.000 0.858 195 M CB 1.497 34.091 32.600 -0.011 0.000 1.732 195 M HN 0.821 9.111 8.290 -0.000 0.000 0.516 196 I N -1.146 119.408 120.570 -0.027 0.000 2.863 196 I HA 0.675 4.845 4.170 -0.001 0.000 0.311 196 I C -0.447 175.662 176.117 -0.013 0.000 1.026 196 I CA -0.742 60.550 61.300 -0.014 0.000 1.077 196 I CB 1.635 39.630 38.000 -0.008 0.000 1.262 196 I HN 0.807 9.017 8.210 -0.000 0.000 0.461 197 N N 1.338 120.037 118.700 -0.002 0.000 2.374 197 N HA 0.232 4.972 4.740 -0.001 0.000 0.284 197 N C -0.323 175.190 175.510 0.004 0.000 1.280 197 N CA 0.134 53.185 53.050 0.003 0.000 0.963 197 N CB 0.983 39.480 38.487 0.018 0.000 1.141 197 N HN 0.873 9.253 8.380 -0.000 0.000 0.565 198 T N -0.882 113.678 114.554 0.009 0.000 2.828 198 T HA 0.420 4.769 4.350 -0.001 0.000 0.290 198 T C 0.697 175.405 174.700 0.013 0.000 1.019 198 T CA -0.511 61.596 62.100 0.011 0.000 1.031 198 T CB 0.506 69.383 68.868 0.016 0.000 1.001 198 T HN 0.210 8.450 8.240 -0.000 0.000 0.531 199 L N 0.470 121.701 121.223 0.012 0.000 2.472 199 L HA 0.545 4.885 4.340 -0.001 0.000 0.256 199 L C 0.691 177.570 176.870 0.015 0.000 1.111 199 L CA -0.667 54.181 54.840 0.014 0.000 0.800 199 L CB 0.503 42.569 42.059 0.012 0.000 1.286 199 L HN 0.671 8.901 8.230 -0.000 0.000 0.479 200 M N -0.211 119.399 119.600 0.015 0.000 2.364 200 M HA 0.644 5.123 4.480 -0.001 0.000 0.334 200 M C -0.062 176.247 176.300 0.015 0.000 1.107 200 M CA -0.383 54.925 55.300 0.014 0.000 0.988 200 M CB 1.605 34.215 32.600 0.015 0.000 1.673 200 M HN 0.647 8.937 8.290 -0.000 0.000 0.441 201 G N 1.139 109.945 108.800 0.010 0.000 2.708 201 G HA2 0.779 4.739 3.960 -0.001 0.000 0.289 201 G HA3 0.779 4.739 3.960 -0.001 0.000 0.289 201 G C -1.909 172.989 174.900 -0.004 0.000 1.416 201 G CA -0.532 44.575 45.100 0.012 0.000 0.829 201 G HN 0.543 8.833 8.290 -0.000 0.000 0.480 202 V N 0.165 120.078 119.914 -0.001 0.000 3.012 202 V HA 0.752 4.871 4.120 -0.001 0.000 0.307 202 V C -1.103 174.971 176.094 -0.033 0.000 1.166 202 V CA -1.038 61.229 62.300 -0.055 0.000 0.974 202 V CB 2.348 34.139 31.823 -0.052 0.000 1.040 202 V HN 0.750 8.940 8.190 -0.000 0.000 0.428 203 R N 1.817 122.244 120.500 -0.122 0.000 2.686 203 R HA 0.652 4.992 4.340 -0.001 0.000 0.283 203 R C -1.714 174.484 176.300 -0.169 0.000 0.978 203 R CA -0.526 55.553 56.100 -0.036 0.000 0.897 203 R CB 2.114 32.403 30.300 -0.018 0.000 1.192 203 R HN 0.556 8.826 8.270 -0.000 0.000 0.457 204 F N -0.049 119.905 119.950 0.007 0.000 2.492 204 F HA 0.248 4.775 4.527 -0.001 0.000 0.327 204 F C 0.562 176.365 175.800 0.005 0.000 1.079 204 F CA -0.755 57.248 58.000 0.006 0.000 0.967 204 F CB 1.674 40.677 39.000 0.005 0.000 1.169 204 F HN 0.401 8.701 8.300 -0.000 0.000 0.472 205 D N 2.547 123.059 120.400 0.186 0.000 2.313 205 D HA 0.284 4.924 4.640 -0.001 0.000 0.239 205 D C 0.895 177.271 176.300 0.126 0.000 1.142 205 D CA -0.127 53.940 54.000 0.112 0.000 0.847 205 D CB 0.832 41.670 40.800 0.063 0.000 1.082 205 D HN 0.487 8.857 8.370 -0.000 0.000 0.480 206 L N 3.382 124.660 121.223 0.090 0.000 2.083 206 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 206 L C 2.419 179.317 176.870 0.046 0.000 1.083 206 L CA 0.697 55.574 54.840 0.062 0.000 0.752 206 L CB -0.499 41.584 42.059 0.041 0.000 0.899 206 L HN 0.478 8.708 8.230 -0.000 0.000 0.433 207 K N 0.435 120.860 120.400 0.041 0.000 2.002 207 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 207 K C 2.200 178.821 176.600 0.036 0.000 1.048 207 K CA 2.218 58.523 56.287 0.031 0.000 0.930 207 K CB -0.461 32.054 32.500 0.026 0.000 0.714 207 K HN 0.452 8.702 8.250 -0.000 0.000 0.438 208 T N -2.037 112.545 114.554 0.047 0.000 3.014 208 T HA 0.070 4.420 4.350 -0.001 0.000 0.263 208 T C 0.657 175.400 174.700 0.072 0.000 1.078 208 T CA 0.367 62.497 62.100 0.050 0.000 1.135 208 T CB -0.031 68.865 68.868 0.048 0.000 0.895 208 T HN 0.351 8.591 8.240 -0.000 0.000 0.480 209 R N 0.284 120.844 120.500 0.101 0.000 3.936 209 R HA -0.108 4.232 4.340 -0.001 0.000 0.366 209 R C -0.598 175.852 176.300 0.251 0.000 1.158 209 R CA 0.671 56.849 56.100 0.131 0.000 0.969 209 R CB -1.669 28.666 30.300 0.059 0.000 1.504 209 R HN 0.479 8.749 8.270 -0.000 0.000 0.538 210 Q N -0.098 119.841 119.800 0.232 0.000 2.351 210 Q HA 0.460 4.800 4.340 -0.001 0.000 0.273 210 Q C -2.480 173.543 176.000 0.038 0.000 1.077 210 Q CA -2.333 53.581 55.803 0.185 0.000 0.843 210 Q CB 1.549 30.330 28.738 0.073 0.000 1.367 210 Q HN -0.166 8.104 8.270 -0.000 0.000 0.449 211 P HA 0.129 4.549 4.420 -0.000 0.000 0.268 211 P C 0.657 177.814 177.300 -0.239 0.000 1.204 211 P CA 0.199 62.966 63.100 -0.556 0.000 0.768 211 P CB 0.569 31.978 31.700 -0.485 0.000 0.842 212 I N 1.912 122.359 120.570 -0.205 0.000 2.226 212 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 212 I C 1.014 177.080 176.117 -0.085 0.000 1.100 212 I CA 1.210 62.450 61.300 -0.099 0.000 1.374 212 I CB -0.306 37.652 38.000 -0.070 0.000 1.057 212 I HN 0.270 8.480 8.210 -0.000 0.000 0.413 213 L N 0.539 121.698 121.223 -0.106 0.000 2.397 213 L HA 0.168 4.508 4.340 -0.001 0.000 0.271 213 L C 1.514 178.343 176.870 -0.068 0.000 1.148 213 L CA -0.356 54.439 54.840 -0.074 0.000 0.825 213 L CB 0.938 42.953 42.059 -0.073 0.000 1.117 213 L HN 0.088 8.318 8.230 -0.000 0.000 0.456 214 A N 2.375 125.172 122.820 -0.039 0.000 1.933 214 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 214 A C 1.836 179.404 177.584 -0.028 0.000 1.175 214 A CA 1.835 53.856 52.037 -0.027 0.000 0.628 214 A CB -0.557 18.439 19.000 -0.007 0.000 0.814 214 A HN 0.884 9.034 8.150 -0.000 0.000 0.444 215 N N -0.976 117.708 118.700 -0.027 0.000 2.521 215 N HA 0.081 4.821 4.740 -0.001 0.000 0.188 215 N C 0.781 176.268 175.510 -0.038 0.000 1.146 215 N CA 0.828 53.865 53.050 -0.021 0.000 0.893 215 N CB -0.480 38.000 38.487 -0.011 0.000 0.975 215 N HN 0.548 8.928 8.380 -0.000 0.000 0.451 216 I N -2.792 117.737 120.570 -0.069 0.000 4.781 216 I HA -0.464 3.706 4.170 -0.001 0.000 0.042 216 I C 0.329 176.383 176.117 -0.105 0.000 0.631 216 I CA 1.775 63.010 61.300 -0.108 0.000 0.598 216 I CB -1.798 36.157 38.000 -0.076 0.000 0.578 216 I HN 0.348 8.558 8.210 -0.000 0.000 0.154 217 T N 0.418 114.938 114.554 -0.058 0.000 2.899 217 T HA 0.661 5.010 4.350 -0.001 0.000 0.284 217 T C -0.016 174.666 174.700 -0.030 0.000 1.004 217 T CA 0.134 62.209 62.100 -0.040 0.000 1.043 217 T CB 1.915 70.774 68.868 -0.015 0.000 1.013 217 T HN 0.852 9.092 8.240 -0.000 0.000 0.518 218 G N -0.817 107.971 108.800 -0.021 0.000 2.708 218 G HA2 0.656 4.616 3.960 -0.001 0.000 0.289 218 G HA3 0.656 4.616 3.960 -0.001 0.000 0.289 218 G C -0.461 174.440 174.900 0.001 0.000 1.416 218 G CA -0.720 44.373 45.100 -0.011 0.000 0.829 218 G HN 0.964 9.254 8.290 -0.000 0.000 0.480 219 G N -0.407 108.398 108.800 0.009 0.000 2.353 219 G HA2 0.504 4.464 3.960 -0.001 0.000 0.284 219 G HA3 0.504 4.464 3.960 -0.001 0.000 0.284 219 G C -0.413 174.498 174.900 0.018 0.000 1.172 219 G CA -0.465 44.644 45.100 0.015 0.000 0.854 219 G HN 0.549 8.839 8.290 -0.000 0.000 0.485 220 L N 2.676 123.909 121.223 0.017 0.000 2.275 220 L HA 0.640 4.980 4.340 -0.001 0.000 0.288 220 L C 0.252 177.133 176.870 0.018 0.000 1.046 220 L CA -0.332 54.519 54.840 0.019 0.000 0.805 220 L CB 1.394 43.462 42.059 0.016 0.000 1.193 220 L HN 0.723 8.953 8.230 -0.000 0.000 0.426 221 S N 2.908 118.622 115.700 0.024 0.000 2.720 221 S HA 1.005 5.475 4.470 -0.001 0.000 0.287 221 S C -0.304 174.305 174.600 0.015 0.000 1.168 221 S CA -0.091 58.118 58.200 0.015 0.000 0.832 221 S CB 1.971 65.182 63.200 0.018 0.000 1.166 221 S HN 1.276 9.586 8.310 -0.000 0.000 0.493 222 G N 0.419 109.218 108.800 -0.002 0.000 2.462 222 G HA2 0.099 4.059 3.960 -0.001 0.000 0.685 222 G HA3 0.099 4.059 3.960 -0.001 0.000 0.685 222 G C -2.799 172.096 174.900 -0.008 0.000 1.295 222 G CA -0.254 44.844 45.100 -0.003 0.000 0.941 222 G HN 0.600 8.890 8.290 -0.000 0.000 0.554 223 P HA -0.016 4.404 4.420 -0.000 0.000 0.218 223 P C 2.181 179.480 177.300 -0.003 0.000 1.146 223 P CA 2.712 65.808 63.100 -0.007 0.000 0.813 223 P CB -0.026 31.673 31.700 -0.002 0.000 0.778 224 A N 0.302 123.123 122.820 0.003 0.000 1.948 224 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 224 A C 2.006 179.591 177.584 0.002 0.000 1.177 224 A CA 1.852 53.892 52.037 0.005 0.000 0.636 224 A CB -1.583 17.423 19.000 0.010 0.000 0.815 224 A HN 0.413 8.563 8.150 -0.000 0.000 0.449 225 I N -3.901 116.669 120.570 -0.001 0.000 3.793 225 I HA 0.154 4.324 4.170 -0.001 0.000 0.315 225 I C 1.722 177.834 176.117 -0.008 0.000 1.275 225 I CA 0.825 62.123 61.300 -0.003 0.000 1.214 225 I CB -0.101 37.898 38.000 -0.002 0.000 1.018 225 I HN 0.189 8.399 8.210 -0.000 0.000 0.439 226 K N 2.462 122.855 120.400 -0.012 0.000 2.044 226 K HA -0.103 4.216 4.320 -0.001 0.000 0.210 226 K C -0.420 176.170 176.600 -0.016 0.000 1.049 226 K CA 2.165 58.442 56.287 -0.017 0.000 0.927 226 K CB -0.992 31.496 32.500 -0.019 0.000 0.713 226 K HN 0.333 8.583 8.250 -0.000 0.000 0.443 227 P HA -0.144 4.276 4.420 -0.000 0.000 0.218 227 P C 1.497 178.792 177.300 -0.008 0.000 1.148 227 P CA 1.137 64.229 63.100 -0.013 0.000 0.822 227 P CB -0.028 31.665 31.700 -0.011 0.000 0.784 228 V N 0.807 120.718 119.914 -0.004 0.000 2.307 228 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 228 V C 2.842 178.936 176.094 0.001 0.000 1.045 228 V CA 2.131 64.432 62.300 0.001 0.000 1.024 228 V CB -1.727 30.097 31.823 0.002 0.000 0.651 228 V HN 0.098 8.288 8.190 -0.000 0.000 0.449 229 A N -0.042 122.775 122.820 -0.006 0.000 1.883 229 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 229 A C 2.120 179.702 177.584 -0.004 0.000 1.186 229 A CA 1.899 53.931 52.037 -0.010 0.000 0.624 229 A CB -0.655 18.333 19.000 -0.021 0.000 0.822 229 A HN 0.396 8.546 8.150 -0.000 0.000 0.444 230 L N 0.030 121.249 121.223 -0.007 0.000 2.079 230 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 230 L C 2.444 179.334 176.870 0.033 0.000 1.081 230 L CA 2.045 56.885 54.840 -0.001 0.000 0.752 230 L CB -0.824 41.222 42.059 -0.021 0.000 0.896 230 L HN 0.425 8.655 8.230 -0.000 0.000 0.433 231 K N -0.125 120.291 120.400 0.027 0.000 2.001 231 K HA -0.131 4.188 4.320 -0.001 0.000 0.208 231 K C 2.136 178.782 176.600 0.076 0.000 1.048 231 K CA 1.387 57.707 56.287 0.056 0.000 0.932 231 K CB -0.249 32.269 32.500 0.029 0.000 0.715 231 K HN 0.277 8.527 8.250 -0.000 0.000 0.437 232 L N 0.704 121.950 121.223 0.038 0.000 2.056 232 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 232 L C 2.573 179.453 176.870 0.016 0.000 1.078 232 L CA 0.897 55.750 54.840 0.022 0.000 0.749 232 L CB -0.353 41.711 42.059 0.009 0.000 0.901 232 L HN 0.152 8.382 8.230 -0.000 0.000 0.433 233 I N -0.633 119.949 120.570 0.021 0.000 2.179 233 I HA -0.354 3.816 4.170 -0.001 0.000 0.242 233 I C 2.666 178.795 176.117 0.020 0.000 1.088 233 I CA 1.555 62.860 61.300 0.008 0.000 1.357 233 I CB -0.404 37.595 38.000 -0.002 0.000 1.051 233 I HN 0.314 8.524 8.210 -0.000 0.000 0.409 234 H N 0.697 119.750 119.070 -0.029 0.000 2.387 234 H HA -0.226 4.330 4.556 -0.001 0.000 0.299 234 H C 2.244 177.561 175.328 -0.018 0.000 1.090 234 H CA 2.021 58.056 56.048 -0.023 0.000 1.332 234 H CB -0.035 29.715 29.762 -0.020 0.000 1.386 234 H HN 0.304 8.584 8.280 -0.000 0.000 0.516 235 Q N -0.359 119.379 119.800 -0.102 0.000 2.046 235 Q HA -0.101 4.239 4.340 -0.001 0.000 0.200 235 Q C 2.284 178.204 176.000 -0.134 0.000 0.975 235 Q CA 1.727 57.450 55.803 -0.133 0.000 0.836 235 Q CB 0.092 28.814 28.738 -0.027 0.000 0.896 235 Q HN 0.428 8.698 8.270 -0.000 0.000 0.428 236 V N 0.594 120.457 119.914 -0.085 0.000 2.548 236 V HA -0.168 3.951 4.120 -0.001 0.000 0.249 236 V C 2.154 178.199 176.094 -0.082 0.000 1.055 236 V CA 1.439 63.697 62.300 -0.069 0.000 1.065 236 V CB -0.614 31.184 31.823 -0.042 0.000 0.681 236 V HN 0.444 8.634 8.190 -0.000 0.000 0.462 237 A N -0.828 121.931 122.820 -0.102 0.000 2.067 237 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 237 A C 2.097 179.618 177.584 -0.105 0.000 1.158 237 A CA 1.062 53.045 52.037 -0.089 0.000 0.661 237 A CB -0.289 18.665 19.000 -0.076 0.000 0.801 237 A HN 0.518 8.668 8.150 -0.000 0.000 0.452 238 Q N 0.046 119.753 119.800 -0.155 0.000 2.369 238 Q HA -0.112 4.228 4.340 -0.001 0.000 0.206 238 Q C -0.264 175.687 176.000 -0.082 0.000 0.963 238 Q CA 1.541 57.263 55.803 -0.134 0.000 0.894 238 Q CB -0.178 28.453 28.738 -0.178 0.000 0.965 238 Q HN 1.019 9.289 8.270 -0.000 0.000 0.475 239 D N -2.126 118.231 120.400 -0.071 0.000 2.865 239 D HA 0.265 4.905 4.640 -0.001 0.000 0.347 239 D C -0.578 175.696 176.300 -0.044 0.000 1.498 239 D CA -0.238 53.732 54.000 -0.051 0.000 0.787 239 D CB 0.163 40.934 40.800 -0.048 0.000 1.190 239 D HN -0.212 8.158 8.370 -0.000 0.000 0.445 240 V N 0.197 120.085 119.914 -0.044 0.000 2.971 240 V HA 0.277 4.396 4.120 -0.001 0.000 0.309 240 V C -0.737 175.335 176.094 -0.036 0.000 1.130 240 V CA -0.646 61.630 62.300 -0.040 0.000 0.964 240 V CB 2.545 34.343 31.823 -0.041 0.000 1.029 240 V HN 0.124 8.314 8.190 -0.000 0.000 0.427 241 D N 3.356 123.735 120.400 -0.035 0.000 2.398 241 D HA 0.205 4.844 4.640 -0.001 0.000 0.210 241 D C 0.486 176.766 176.300 -0.034 0.000 1.094 241 D CA 0.364 54.346 54.000 -0.031 0.000 0.839 241 D CB 0.840 41.622 40.800 -0.029 0.000 0.963 241 D HN 0.592 8.962 8.370 -0.000 0.000 0.506 242 I N -0.550 119.994 120.570 -0.042 0.000 2.577 242 I HA 0.442 4.611 4.170 -0.001 0.000 0.300 242 I C -2.465 173.633 176.117 -0.032 0.000 0.990 242 I CA -2.130 59.139 61.300 -0.052 0.000 1.283 242 I CB 1.015 38.965 38.000 -0.084 0.000 1.411 242 I HN -0.361 7.849 8.210 -0.000 0.000 0.515 243 P HA 0.394 4.814 4.420 -0.000 0.000 0.274 243 P C -0.888 176.438 177.300 0.042 0.000 1.237 243 P CA -0.132 62.979 63.100 0.019 0.000 0.793 243 P CB 1.503 33.234 31.700 0.051 0.000 0.977 244 I N 1.283 121.865 120.570 0.020 0.000 2.509 244 I HA 0.389 4.558 4.170 -0.001 0.000 0.293 244 I C 0.244 176.347 176.117 -0.024 0.000 1.020 244 I CA -0.950 60.357 61.300 0.012 0.000 1.088 244 I CB 1.861 39.845 38.000 -0.027 0.000 1.267 244 I HN 0.120 8.330 8.210 -0.000 0.000 0.430 245 I N 4.823 125.380 120.570 -0.021 0.000 2.312 245 I HA 0.385 4.554 4.170 -0.001 0.000 0.290 245 I C 0.698 176.757 176.117 -0.096 0.000 1.008 245 I CA -0.241 61.005 61.300 -0.089 0.000 1.226 245 I CB 1.386 39.310 38.000 -0.127 0.000 1.371 245 I HN 0.645 8.855 8.210 -0.000 0.000 0.468 246 G N 7.676 116.399 108.800 -0.129 0.000 2.425 246 G HA2 0.783 4.742 3.960 -0.001 0.000 0.302 246 G HA3 0.783 4.742 3.960 -0.001 0.000 0.302 246 G C -0.538 174.300 174.900 -0.102 0.000 1.159 246 G CA -0.513 44.521 45.100 -0.109 0.000 0.865 246 G HN 0.649 8.939 8.290 -0.000 0.000 0.515 247 M N -0.226 119.325 119.600 -0.081 0.000 2.694 247 M HA 0.663 5.143 4.480 -0.001 0.000 0.276 247 M C -0.543 175.721 176.300 -0.060 0.000 1.167 247 M CA -0.491 54.762 55.300 -0.079 0.000 0.849 247 M CB 1.901 34.448 32.600 -0.089 0.000 1.705 247 M HN 1.984 10.274 8.290 -0.000 0.000 0.504 248 G N 0.299 109.064 108.800 -0.059 0.000 2.781 248 G HA2 0.475 4.435 3.960 -0.001 0.000 0.468 248 G HA3 0.475 4.435 3.960 -0.001 0.000 0.468 248 G C 0.377 175.253 174.900 -0.040 0.000 1.186 248 G CA 0.089 45.163 45.100 -0.044 0.000 1.220 248 G HN 2.321 10.611 8.290 -0.000 0.000 0.564 249 G N -0.780 107.995 108.800 -0.042 0.000 2.148 249 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.254 249 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.254 249 G C 0.664 175.541 174.900 -0.039 0.000 0.981 249 G CA 0.614 45.693 45.100 -0.034 0.000 0.670 249 G HN 1.824 10.114 8.290 -0.000 0.000 0.528 250 V N 0.261 120.144 119.914 -0.051 0.000 2.521 250 V HA 0.520 4.640 4.120 -0.001 0.000 0.286 250 V C 1.207 177.272 176.094 -0.048 0.000 1.034 250 V CA 1.202 63.474 62.300 -0.047 0.000 1.045 250 V CB 1.273 33.063 31.823 -0.056 0.000 0.974 250 V HN 1.075 9.265 8.190 -0.000 0.000 0.480 251 A N 4.298 127.099 122.820 -0.031 0.000 2.474 251 A HA 0.412 4.732 4.320 -0.001 0.000 0.221 251 A C 0.437 178.013 177.584 -0.013 0.000 1.298 251 A CA 0.254 52.276 52.037 -0.025 0.000 1.008 251 A CB 0.106 19.098 19.000 -0.014 0.000 1.217 251 A HN 0.901 9.051 8.150 -0.000 0.000 0.553 252 N N -2.870 115.824 118.700 -0.009 0.000 3.106 252 N HA 0.533 5.272 4.740 -0.001 0.000 0.253 252 N C 0.554 176.067 175.510 0.005 0.000 1.506 252 N CA 0.023 53.073 53.050 0.001 0.000 0.876 252 N CB 0.565 39.057 38.487 0.009 0.000 1.452 252 N HN 0.073 8.453 8.380 -0.000 0.000 0.542 253 A N -0.580 122.247 122.820 0.013 0.000 1.972 253 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 253 A C 1.746 179.346 177.584 0.025 0.000 1.169 253 A CA 1.662 53.711 52.037 0.021 0.000 0.635 253 A CB -0.908 18.106 19.000 0.025 0.000 0.810 253 A HN 0.677 8.827 8.150 -0.000 0.000 0.446 254 Q N 0.158 119.972 119.800 0.023 0.000 2.124 254 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 254 Q C 1.505 177.500 176.000 -0.008 0.000 0.977 254 Q CA 1.748 57.555 55.803 0.007 0.000 0.850 254 Q CB -0.202 28.542 28.738 0.011 0.000 0.901 254 Q HN 0.626 8.896 8.270 -0.000 0.000 0.429 255 D N -0.658 119.741 120.400 -0.002 0.000 2.117 255 D HA -0.112 4.528 4.640 -0.001 0.000 0.198 255 D C 1.883 178.188 176.300 0.008 0.000 0.982 255 D CA 0.895 54.891 54.000 -0.008 0.000 0.828 255 D CB -0.191 40.601 40.800 -0.013 0.000 0.967 255 D HN 0.064 8.434 8.370 -0.000 0.000 0.464 256 V N 1.366 121.297 119.914 0.028 0.000 2.255 256 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 256 V C 2.690 178.885 176.094 0.169 0.000 1.051 256 V CA 1.294 63.642 62.300 0.081 0.000 1.018 256 V CB -0.565 31.311 31.823 0.088 0.000 0.641 256 V HN 0.220 8.410 8.190 -0.000 0.000 0.445 257 L N -0.409 120.880 121.223 0.109 0.000 2.131 257 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 257 L C 2.579 179.493 176.870 0.074 0.000 1.092 257 L CA 1.781 56.679 54.840 0.096 0.000 0.759 257 L CB -0.563 41.477 42.059 -0.031 0.000 0.903 257 L HN 0.454 8.684 8.230 -0.000 0.000 0.435 258 E N -0.136 120.071 120.200 0.013 0.000 2.106 258 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 258 E C 2.377 178.978 176.600 0.002 0.000 0.984 258 E CA 0.817 57.206 56.400 -0.017 0.000 0.806 258 E CB 0.149 29.825 29.700 -0.039 0.000 0.750 258 E HN 0.344 8.704 8.360 -0.000 0.000 0.458 259 M N -0.357 119.245 119.600 0.003 0.000 2.159 259 M HA -0.182 4.298 4.480 -0.001 0.000 0.263 259 M C 1.832 178.071 176.300 -0.103 0.000 1.063 259 M CA 1.423 56.685 55.300 -0.063 0.000 1.110 259 M CB -0.800 31.732 32.600 -0.113 0.000 1.374 259 M HN 0.231 8.521 8.290 -0.000 0.000 0.411 260 Y N 0.122 120.405 120.300 -0.028 0.000 2.200 260 Y HA -0.197 4.353 4.550 -0.001 0.000 0.290 260 Y C 2.504 178.396 175.900 -0.014 0.000 1.137 260 Y CA 1.308 59.396 58.100 -0.019 0.000 1.163 260 Y CB -0.356 38.090 38.460 -0.023 0.000 0.988 260 Y HN 0.130 8.410 8.280 -0.000 0.000 0.518 261 M N -0.731 118.936 119.600 0.111 0.000 2.149 261 M HA -0.174 4.305 4.480 -0.001 0.000 0.261 261 M C 2.336 178.662 176.300 0.043 0.000 1.064 261 M CA 1.585 56.915 55.300 0.050 0.000 1.102 261 M CB -1.647 30.949 32.600 -0.007 0.000 1.369 261 M HN 0.308 8.598 8.290 -0.000 0.000 0.408 262 A N -1.011 121.826 122.820 0.029 0.000 2.066 262 A HA 0.313 4.632 4.320 -0.001 0.000 0.218 262 A C 1.887 179.532 177.584 0.101 0.000 1.157 262 A CA 1.620 53.700 52.037 0.072 0.000 0.670 262 A CB -0.459 18.563 19.000 0.036 0.000 0.804 262 A HN 0.624 8.774 8.150 -0.000 0.000 0.453 263 G N -2.952 105.864 108.800 0.026 0.000 2.370 263 G HA2 0.284 4.243 3.960 -0.001 0.000 0.174 263 G HA3 0.284 4.243 3.960 -0.001 0.000 0.174 263 G C 0.318 175.171 174.900 -0.078 0.000 1.002 263 G CA 0.053 45.152 45.100 -0.002 0.000 0.730 263 G HN 1.281 9.571 8.290 -0.000 0.000 0.497 264 A N 0.350 123.066 122.820 -0.174 0.000 2.386 264 A HA 0.757 5.077 4.320 -0.001 0.000 0.248 264 A C 1.355 178.675 177.584 -0.441 0.000 1.082 264 A CA 1.130 52.997 52.037 -0.283 0.000 0.789 264 A CB 0.806 19.601 19.000 -0.343 0.000 1.025 264 A HN 0.721 8.871 8.150 -0.000 0.000 0.490 265 S N -0.333 115.184 115.700 -0.305 0.000 2.497 265 S HA 0.494 4.964 4.470 -0.001 0.000 0.218 265 S C 0.615 175.100 174.600 -0.191 0.000 1.023 265 S CA 0.624 58.713 58.200 -0.184 0.000 0.913 265 S CB 0.082 63.271 63.200 -0.019 0.000 0.800 265 S HN 1.299 9.609 8.310 -0.000 0.000 0.505 266 A N 0.413 123.074 122.820 -0.265 0.000 2.602 266 A HA 0.770 5.090 4.320 -0.001 0.000 0.290 266 A C -1.677 175.789 177.584 -0.196 0.000 1.114 266 A CA -0.521 51.435 52.037 -0.135 0.000 0.683 266 A CB 1.203 20.166 19.000 -0.061 0.000 1.281 266 A HN 0.057 8.207 8.150 -0.000 0.000 0.416 267 V N 0.177 120.023 119.914 -0.112 0.000 2.686 267 V HA 0.730 4.850 4.120 -0.001 0.000 0.306 267 V C 0.220 176.247 176.094 -0.111 0.000 1.065 267 V CA -0.168 62.063 62.300 -0.115 0.000 0.894 267 V CB 1.514 33.297 31.823 -0.065 0.000 1.004 267 V HN 1.598 9.788 8.190 -0.000 0.000 0.424 268 A N 4.025 126.769 122.820 -0.127 0.000 2.312 268 A HA 0.907 5.226 4.320 -0.001 0.000 0.328 268 A C -0.804 176.693 177.584 -0.145 0.000 1.158 268 A CA -0.580 51.367 52.037 -0.150 0.000 0.821 268 A CB 1.576 20.481 19.000 -0.157 0.000 1.170 268 A HN 0.759 8.909 8.150 -0.000 0.000 0.490 269 V N 2.399 122.207 119.914 -0.177 0.000 2.407 269 V HA 0.566 4.686 4.120 -0.001 0.000 0.291 269 V C 0.917 176.877 176.094 -0.223 0.000 1.018 269 V CA 0.317 62.513 62.300 -0.174 0.000 0.842 269 V CB 1.005 32.731 31.823 -0.161 0.000 0.996 269 V HN 1.174 9.364 8.190 -0.000 0.000 0.426 270 G N 2.553 111.224 108.800 -0.216 0.000 2.571 270 G HA2 0.032 3.992 3.960 -0.001 0.000 0.225 270 G HA3 0.032 3.992 3.960 -0.001 0.000 0.225 270 G C 1.280 175.904 174.900 -0.460 0.000 1.731 270 G CA 1.029 45.959 45.100 -0.283 0.000 0.858 270 G HN 0.521 8.811 8.290 -0.000 0.000 0.611 271 T N 2.193 116.525 114.554 -0.369 0.000 2.721 271 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 271 T C 2.611 177.095 174.700 -0.361 0.000 1.038 271 T CA 1.811 63.673 62.100 -0.397 0.000 1.145 271 T CB -0.448 68.371 68.868 -0.082 0.000 0.858 271 T HN 0.414 8.654 8.240 -0.000 0.000 0.459 272 A N 2.074 124.754 122.820 -0.233 0.000 2.076 272 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 272 A C 2.233 179.736 177.584 -0.134 0.000 1.160 272 A CA 1.300 53.258 52.037 -0.131 0.000 0.653 272 A CB -0.520 18.427 19.000 -0.090 0.000 0.801 272 A HN 0.475 8.625 8.150 -0.000 0.000 0.455 273 N N -0.604 117.929 118.700 -0.278 0.000 2.223 273 N HA -0.125 4.615 4.740 -0.001 0.000 0.185 273 N C 1.236 176.760 175.510 0.024 0.000 1.016 273 N CA 1.389 54.335 53.050 -0.174 0.000 0.863 273 N CB -0.393 37.901 38.487 -0.321 0.000 0.983 273 N HN 0.489 8.869 8.380 -0.000 0.000 0.429 274 F N 1.358 121.343 119.950 0.059 0.000 2.234 274 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 274 F C 2.457 178.277 175.800 0.034 0.000 1.087 274 F CA 0.096 58.126 58.000 0.050 0.000 1.340 274 F CB -1.102 37.916 39.000 0.029 0.000 1.031 274 F HN -0.011 8.289 8.300 -0.000 0.000 0.500 275 A N -1.355 121.573 122.820 0.180 0.000 1.898 275 A HA -0.058 4.262 4.320 -0.001 0.000 0.214 275 A C 0.414 178.067 177.584 0.114 0.000 1.183 275 A CA 1.468 53.580 52.037 0.125 0.000 0.622 275 A CB -0.289 18.762 19.000 0.085 0.000 0.824 275 A HN 0.204 8.354 8.150 -0.000 0.000 0.444 276 D N -1.778 118.685 120.400 0.106 0.000 2.358 276 D HA 0.268 4.907 4.640 -0.001 0.000 0.253 276 D C -2.264 174.110 176.300 0.123 0.000 1.288 276 D CA -1.877 52.204 54.000 0.135 0.000 0.950 276 D CB 1.541 42.419 40.800 0.130 0.000 1.197 276 D HN -0.019 8.351 8.370 -0.000 0.000 0.550 277 P HA -0.086 4.334 4.420 -0.000 0.000 0.226 277 P C 0.724 177.986 177.300 -0.063 0.000 1.146 277 P CA 0.619 63.709 63.100 -0.017 0.000 0.773 277 P CB -0.015 31.402 31.700 -0.472 0.000 0.772 278 F N -1.442 118.610 119.950 0.169 0.000 2.641 278 F HA 0.116 4.643 4.527 -0.001 0.000 0.302 278 F C 2.247 178.017 175.800 -0.051 0.000 1.098 278 F CA -0.184 57.844 58.000 0.046 0.000 1.318 278 F CB -0.643 38.385 39.000 0.047 0.000 1.035 278 F HN -0.256 8.044 8.300 -0.000 0.000 0.551 279 V N -0.396 119.585 119.914 0.112 0.000 2.324 279 V HA -0.348 3.772 4.120 -0.001 0.000 0.250 279 V C 2.106 178.189 176.094 -0.018 0.000 1.060 279 V CA 2.450 64.775 62.300 0.040 0.000 1.042 279 V CB -0.405 31.425 31.823 0.012 0.000 0.650 279 V HN 0.577 8.767 8.190 -0.000 0.000 0.450 280 C N -0.068 119.203 119.300 -0.049 0.000 2.432 280 C HA -0.033 4.427 4.460 -0.001 0.000 0.277 280 C C 0.562 175.487 174.990 -0.109 0.000 1.249 280 C CA 1.588 60.558 59.018 -0.081 0.000 1.725 280 C CB -2.107 25.593 27.740 -0.068 0.000 2.028 280 C HN 0.526 8.756 8.230 -0.000 0.000 0.477 281 P HA -0.104 4.316 4.420 -0.000 0.000 0.216 281 P C 1.352 178.603 177.300 -0.082 0.000 1.153 281 P CA 1.535 64.521 63.100 -0.190 0.000 0.848 281 P CB -0.160 31.336 31.700 -0.339 0.000 0.787 282 K N -0.623 119.747 120.400 -0.050 0.000 2.026 282 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 282 K C 2.120 178.710 176.600 -0.018 0.000 1.048 282 K CA 1.251 57.527 56.287 -0.019 0.000 0.929 282 K CB -0.695 31.809 32.500 0.008 0.000 0.713 282 K HN 0.146 8.396 8.250 -0.000 0.000 0.439 283 I N 1.142 121.699 120.570 -0.021 0.000 2.163 283 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 283 I C 2.261 178.369 176.117 -0.015 0.000 1.085 283 I CA 1.365 62.656 61.300 -0.015 0.000 1.347 283 I CB -0.302 37.686 38.000 -0.021 0.000 1.044 283 I HN 0.136 8.346 8.210 -0.000 0.000 0.408 284 I N 0.581 121.135 120.570 -0.025 0.000 2.226 284 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 284 I C 2.048 178.157 176.117 -0.014 0.000 1.100 284 I CA 1.381 62.669 61.300 -0.020 0.000 1.374 284 I CB -0.524 37.462 38.000 -0.023 0.000 1.057 284 I HN 0.247 8.457 8.210 -0.000 0.000 0.413 285 D N 0.784 121.174 120.400 -0.016 0.000 2.117 285 D HA -0.188 4.452 4.640 -0.001 0.000 0.198 285 D C 2.077 178.372 176.300 -0.009 0.000 0.982 285 D CA 1.161 55.154 54.000 -0.012 0.000 0.828 285 D CB -0.193 40.599 40.800 -0.014 0.000 0.967 285 D HN 0.127 8.497 8.370 -0.000 0.000 0.464 286 K N 0.631 121.027 120.400 -0.006 0.000 2.296 286 K HA -0.022 4.298 4.320 -0.001 0.000 0.200 286 K C 1.767 178.370 176.600 0.005 0.000 1.048 286 K CA 0.140 56.428 56.287 0.000 0.000 0.966 286 K CB -0.384 32.119 32.500 0.005 0.000 0.754 286 K HN -0.077 8.173 8.250 -0.000 0.000 0.466 287 L N 1.279 122.503 121.223 0.001 0.000 2.021 287 L HA -0.130 4.210 4.340 -0.001 0.000 0.215 287 L C -0.938 175.930 176.870 -0.003 0.000 1.074 287 L CA 1.924 56.763 54.840 -0.001 0.000 0.760 287 L CB -1.567 40.484 42.059 -0.014 0.000 0.889 287 L HN 0.146 8.376 8.230 -0.000 0.000 0.433 288 P HA -0.134 4.286 4.420 -0.000 0.000 0.217 288 P C 1.460 178.754 177.300 -0.010 0.000 1.150 288 P CA 1.142 64.234 63.100 -0.012 0.000 0.832 288 P CB 0.085 31.777 31.700 -0.014 0.000 0.787 289 E N -0.674 119.521 120.200 -0.008 0.000 2.038 289 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 289 E C 1.856 178.446 176.600 -0.016 0.000 1.000 289 E CA 0.972 57.362 56.400 -0.017 0.000 0.803 289 E CB -0.809 28.883 29.700 -0.014 0.000 0.750 289 E HN 0.066 8.426 8.360 -0.000 0.000 0.448 290 L N 0.570 121.806 121.223 0.021 0.000 2.042 290 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 290 L C 2.327 179.274 176.870 0.130 0.000 1.076 290 L CA 1.719 56.614 54.840 0.090 0.000 0.749 290 L CB -0.523 41.617 42.059 0.136 0.000 0.893 290 L HN 0.234 8.464 8.230 -0.000 0.000 0.432 291 M N -1.264 118.378 119.600 0.070 0.000 2.108 291 M HA -0.230 4.250 4.480 -0.001 0.000 0.261 291 M C 1.835 178.152 176.300 0.029 0.000 1.066 291 M CA 1.597 56.932 55.300 0.057 0.000 1.107 291 M CB -0.572 32.026 32.600 -0.004 0.000 1.356 291 M HN 0.206 8.496 8.290 -0.000 0.000 0.406 292 D N 0.252 120.644 120.400 -0.013 0.000 2.103 292 D HA -0.243 4.397 4.640 -0.001 0.000 0.190 292 D C 1.847 178.095 176.300 -0.087 0.000 0.997 292 D CA 1.524 55.499 54.000 -0.041 0.000 0.833 292 D CB -0.589 40.182 40.800 -0.048 0.000 0.961 292 D HN 0.466 8.836 8.370 -0.000 0.000 0.447 293 Q N -0.623 119.077 119.800 -0.167 0.000 2.197 293 Q HA -0.202 4.137 4.340 -0.001 0.000 0.207 293 Q C 0.782 176.485 176.000 -0.494 0.000 0.984 293 Q CA 1.351 56.929 55.803 -0.375 0.000 0.869 293 Q CB -0.090 28.313 28.738 -0.558 0.000 0.906 293 Q HN 0.392 8.662 8.270 -0.000 0.000 0.426 294 Y N -0.244 120.044 120.300 -0.020 0.000 2.625 294 Y HA 0.369 4.919 4.550 -0.001 0.000 0.285 294 Y C -0.166 175.722 175.900 -0.020 0.000 1.168 294 Y CA -0.232 57.857 58.100 -0.018 0.000 1.250 294 Y CB 0.410 38.859 38.460 -0.019 0.000 1.130 294 Y HN 0.033 8.313 8.280 -0.000 0.000 0.526 295 R N 0.258 120.792 120.500 0.057 0.000 3.525 295 R HA -0.192 4.148 4.340 -0.001 0.000 0.276 295 R C -0.921 175.399 176.300 0.035 0.000 1.116 295 R CA 0.606 56.727 56.100 0.035 0.000 0.745 295 R CB -2.382 27.940 30.300 0.037 0.000 1.185 295 R HN 0.347 8.617 8.270 -0.000 0.000 0.454 296 I N 0.279 120.869 120.570 0.033 0.000 2.328 296 I HA 0.086 4.256 4.170 -0.001 0.000 0.287 296 I C 1.611 177.719 176.117 -0.015 0.000 1.012 296 I CA -0.377 60.925 61.300 0.004 0.000 1.195 296 I CB 1.456 39.450 38.000 -0.008 0.000 1.350 296 I HN 0.123 8.333 8.210 -0.000 0.000 0.464 297 E N 3.333 123.523 120.200 -0.017 0.000 2.072 297 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 297 E C 0.325 176.906 176.600 -0.031 0.000 0.985 297 E CA 0.995 57.383 56.400 -0.020 0.000 0.801 297 E CB 0.287 29.979 29.700 -0.014 0.000 0.750 297 E HN 0.760 9.120 8.360 -0.000 0.000 0.452 298 S N -1.837 113.837 115.700 -0.045 0.000 2.567 298 S HA 0.236 4.706 4.470 -0.001 0.000 0.270 298 S C 0.439 174.978 174.600 -0.102 0.000 1.152 298 S CA -0.842 57.321 58.200 -0.062 0.000 0.835 298 S CB 0.695 63.872 63.200 -0.038 0.000 1.115 298 S HN 0.053 8.364 8.310 -0.000 0.000 0.459 299 L N 0.559 121.691 121.223 -0.151 0.000 2.083 299 L HA -0.062 4.278 4.340 -0.001 0.000 0.209 299 L C 2.766 179.573 176.870 -0.105 0.000 1.083 299 L CA 1.809 56.489 54.840 -0.267 0.000 0.752 299 L CB -0.552 41.314 42.059 -0.321 0.000 0.899 299 L HN 0.866 9.096 8.230 -0.000 0.000 0.433 300 E N 0.345 120.523 120.200 -0.036 0.000 2.058 300 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 300 E C 2.249 178.856 176.600 0.011 0.000 0.997 300 E CA 1.757 58.164 56.400 0.012 0.000 0.801 300 E CB -0.022 29.683 29.700 0.009 0.000 0.746 300 E HN 0.310 8.670 8.360 -0.000 0.000 0.450 301 S N 0.147 115.842 115.700 -0.008 0.000 2.383 301 S HA -0.133 4.337 4.470 -0.001 0.000 0.227 301 S C 1.804 176.407 174.600 0.004 0.000 1.026 301 S CA 0.916 59.115 58.200 -0.001 0.000 0.981 301 S CB -0.355 62.839 63.200 -0.009 0.000 0.818 301 S HN 0.249 8.559 8.310 -0.000 0.000 0.472 302 L N 2.142 123.355 121.223 -0.017 0.000 2.046 302 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 302 L C 1.915 178.825 176.870 0.066 0.000 1.077 302 L CA 1.484 56.322 54.840 -0.003 0.000 0.747 302 L CB -0.574 41.432 42.059 -0.088 0.000 0.896 302 L HN 0.278 8.508 8.230 -0.000 0.000 0.432 303 I N -0.888 119.743 120.570 0.100 0.000 2.163 303 I HA -0.360 3.810 4.170 -0.001 0.000 0.243 303 I C 2.446 178.609 176.117 0.078 0.000 1.085 303 I CA 1.573 62.956 61.300 0.139 0.000 1.347 303 I CB -0.377 37.714 38.000 0.151 0.000 1.044 303 I HN 0.392 8.602 8.210 -0.000 0.000 0.408 304 Q N 0.541 120.372 119.800 0.052 0.000 2.119 304 Q HA -0.181 4.158 4.340 -0.001 0.000 0.201 304 Q C 2.073 178.092 176.000 0.032 0.000 0.972 304 Q CA 1.256 57.081 55.803 0.035 0.000 0.847 304 Q CB -0.152 28.602 28.738 0.025 0.000 0.903 304 Q HN 0.503 8.773 8.270 -0.000 0.000 0.433 305 E N 0.245 120.465 120.200 0.032 0.000 2.038 305 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 305 E C 2.110 178.730 176.600 0.034 0.000 1.000 305 E CA 1.538 57.955 56.400 0.028 0.000 0.803 305 E CB -0.088 29.626 29.700 0.024 0.000 0.750 305 E HN 0.125 8.485 8.360 -0.000 0.000 0.448 306 V N 1.657 121.599 119.914 0.048 0.000 2.407 306 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 306 V C 2.387 178.508 176.094 0.045 0.000 1.055 306 V CA 1.782 64.114 62.300 0.054 0.000 1.049 306 V CB -0.418 31.451 31.823 0.077 0.000 0.662 306 V HN 0.221 8.411 8.190 -0.000 0.000 0.455 307 K N 0.532 120.956 120.400 0.040 0.000 2.148 307 K HA -0.211 4.108 4.320 -0.001 0.000 0.204 307 K C 2.083 178.694 176.600 0.019 0.000 1.050 307 K CA 1.756 58.059 56.287 0.026 0.000 0.942 307 K CB -0.003 32.511 32.500 0.023 0.000 0.724 307 K HN 0.786 9.036 8.250 -0.000 0.000 0.446 308 E N -0.924 119.289 120.200 0.021 0.000 2.340 308 E HA -0.007 4.343 4.350 -0.001 0.000 0.194 308 E C 0.843 177.453 176.600 0.017 0.000 0.996 308 E CA 0.387 56.796 56.400 0.016 0.000 0.869 308 E CB 0.082 29.790 29.700 0.014 0.000 0.835 308 E HN 0.206 8.566 8.360 -0.000 0.000 0.493 309 G N 2.408 111.222 108.800 0.023 0.000 3.213 309 G HA2 0.060 4.019 3.960 -0.001 0.000 0.263 309 G HA3 0.060 4.019 3.960 -0.001 0.000 0.263 309 G C 0.446 175.364 174.900 0.029 0.000 0.829 309 G CA -0.246 44.868 45.100 0.024 0.000 1.983 309 G HN 0.308 8.598 8.290 -0.000 0.000 0.616 310 K N 0.413 120.825 120.400 0.021 0.000 2.323 310 K HA 0.434 4.754 4.320 -0.001 0.000 0.232 310 K C 0.748 177.358 176.600 0.017 0.000 1.068 310 K CA 0.085 56.383 56.287 0.019 0.000 0.892 310 K CB 0.404 32.907 32.500 0.006 0.000 1.207 310 K HN 0.355 8.605 8.250 -0.000 0.000 0.456 311 K N 0.000 120.406 120.400 0.010 0.000 2.780 311 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 311 K CA 0.000 56.292 56.287 0.008 0.000 0.838 311 K CB 0.000 32.504 32.500 0.006 0.000 1.064 311 K HN 0.000 8.250 8.250 -0.000 0.000 0.543