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 2k6h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRIVPKFTE IFPVEDANYP YSAFIASVRK DVIKHCTDHK GIFQPVLPPE DATA SEQUENCE KKVPELWLYT ELKTRTSSIT LAIRMDNLYL VGFRTPGGVW WEFGKDGDTH DATA SEQUENCE LLGDNPRWLG FGGRYQDLIG NKGLETVTMG RAEMTRAVND LAKKKKMLEP DATA SEQUENCE QADTKSKLVK LVVMVCEGLR FNTVSRTVDA GFNSQHGVTL TVTQGKQVQK DATA SEQUENCE WDRISKAAFE WADHPTAVIP DMQKLGIKDK NEAARIVALV KNQTTAAA 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 1 M HA 0.000 4.470 4.480 -0.016 0.000 0.227 1 M C 0.000 176.288 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 2 K N 0.208 120.584 120.400 -0.040 0.000 2.361 2 K HA 0.055 4.345 4.320 -0.049 0.000 0.196 2 K C -0.320 176.320 176.600 0.066 0.000 1.039 2 K CA 0.315 56.566 56.287 -0.060 0.000 1.001 2 K CB 0.443 32.813 32.500 -0.217 0.000 0.795 2 K HN 0.096 8.317 8.250 -0.049 0.000 0.495 3 R N 0.511 121.032 120.500 0.035 0.000 2.265 3 R HA 0.114 4.503 4.340 0.081 0.000 0.314 3 R C -0.350 175.982 176.300 0.054 0.000 1.053 3 R CA -0.550 55.574 56.100 0.041 0.000 0.931 3 R CB 0.619 30.902 30.300 -0.028 0.000 1.024 3 R HN -0.452 7.775 8.270 0.001 0.043 0.457 4 I N 6.644 127.270 120.570 0.093 0.000 2.276 4 I HA 0.176 4.390 4.170 0.073 0.000 0.290 4 I C -2.246 173.961 176.117 0.150 0.000 1.109 4 I CA -1.743 59.630 61.300 0.122 0.000 1.229 4 I CB 0.251 38.341 38.000 0.150 0.000 1.452 4 I HN 0.441 8.708 8.210 0.096 0.000 0.497 5 V N 11.086 131.001 119.914 0.002 0.000 2.572 5 V HA 0.090 4.142 4.120 -0.113 0.000 0.291 5 V C -1.715 174.196 176.094 -0.305 0.000 1.039 5 V CA -2.538 59.687 62.300 -0.125 0.000 1.055 5 V CB 1.712 33.461 31.823 -0.124 0.000 0.969 5 V HN 0.136 8.320 8.190 -0.010 0.000 0.482 6 P HA 0.109 4.025 4.420 -0.841 0.000 0.271 6 P C -0.519 176.510 177.300 -0.450 0.000 1.218 6 P CA -0.716 61.870 63.100 -0.856 0.000 0.780 6 P CB 0.682 31.525 31.700 -1.430 0.000 0.901 7 K N 1.574 121.787 120.400 -0.313 0.000 2.001 7 K HA -0.147 3.978 4.320 -0.325 0.000 0.208 7 K C 0.164 176.463 176.600 -0.503 0.000 1.048 7 K CA 2.071 58.194 56.287 -0.273 0.000 0.932 7 K CB 0.179 32.656 32.500 -0.039 0.000 0.715 7 K HN 0.508 8.588 8.250 -0.283 0.000 0.437 8 F N -4.673 115.220 119.950 -0.095 0.000 2.726 8 F HA 0.208 4.712 4.527 -0.040 0.000 0.324 8 F C -1.809 173.970 175.800 -0.035 0.000 1.140 8 F CA -0.990 56.975 58.000 -0.057 0.000 0.964 8 F CB 3.253 42.218 39.000 -0.059 0.000 1.399 8 F HN -0.581 7.723 8.300 0.008 0.000 0.491 9 T N 0.848 115.519 114.554 0.196 0.000 2.876 9 T HA 0.244 4.835 4.350 0.102 -0.180 0.289 9 T C -0.825 173.867 174.700 -0.014 0.000 1.014 9 T CA -1.735 60.409 62.100 0.073 0.000 0.986 9 T CB 1.767 70.620 68.868 -0.025 0.000 1.021 9 T HN -0.037 8.366 8.240 0.271 0.000 0.458 10 E N 7.821 127.994 120.200 -0.045 0.000 2.046 10 E HA 0.339 4.510 4.350 -0.298 0.000 0.279 10 E C -1.232 175.195 176.600 -0.289 0.000 0.989 10 E CA -1.599 54.680 56.400 -0.201 0.000 0.798 10 E CB 0.483 30.158 29.700 -0.041 0.000 1.086 10 E HN 0.156 8.529 8.360 0.021 0.000 0.399 11 I N 4.168 124.482 120.570 -0.428 0.000 2.353 11 I HA 0.302 4.587 4.170 -0.112 -0.183 0.293 11 I C 0.018 175.841 176.117 -0.490 0.000 0.992 11 I CA -0.495 60.632 61.300 -0.288 0.000 1.268 11 I CB 1.392 39.284 38.000 -0.180 0.000 1.387 11 I HN 0.401 8.346 8.210 -0.443 0.000 0.478 12 F N 6.342 126.290 119.950 -0.002 0.000 2.496 12 F HA 0.456 4.955 4.527 -0.046 0.000 0.341 12 F C -2.363 173.476 175.800 0.065 0.000 1.134 12 F CA -2.970 55.038 58.000 0.013 0.000 0.968 12 F CB 2.456 41.483 39.000 0.046 0.000 1.205 12 F HN 0.795 9.203 8.300 0.179 0.000 0.436 13 P HA 0.204 4.894 4.420 0.153 -0.178 0.269 13 P C 0.239 177.703 177.300 0.272 0.000 1.263 13 P CA -0.275 62.960 63.100 0.224 0.000 0.813 13 P CB -0.634 31.180 31.700 0.190 0.000 0.868 14 V N 6.943 126.969 119.914 0.187 0.000 2.379 14 V HA -0.277 3.910 4.120 0.112 0.000 0.245 14 V C 1.259 177.485 176.094 0.220 0.000 1.044 14 V CA 3.396 65.801 62.300 0.175 0.000 1.036 14 V CB 0.277 32.191 31.823 0.153 0.000 0.664 14 V HN 0.793 8.966 8.190 0.155 0.110 0.453 15 E N -1.125 119.161 120.200 0.143 0.000 2.106 15 E HA -0.294 4.101 4.350 0.075 0.000 0.192 15 E C -0.006 176.632 176.600 0.063 0.000 0.984 15 E CA 1.864 58.316 56.400 0.086 0.000 0.806 15 E CB 0.148 29.880 29.700 0.052 0.000 0.750 15 E HN -0.341 8.094 8.360 0.125 0.000 0.458 16 D N -1.565 118.882 120.400 0.078 0.000 2.494 16 D HA 0.043 4.702 4.640 0.031 0.000 0.217 16 D C -0.313 175.982 176.300 -0.009 0.000 1.153 16 D CA -1.146 52.886 54.000 0.054 0.000 0.954 16 D CB -0.533 40.319 40.800 0.087 0.000 1.034 16 D HN -0.250 8.166 8.370 0.110 0.020 0.518 17 A N 7.870 130.672 122.820 -0.031 0.000 2.305 17 A HA -0.048 4.107 4.320 -0.275 0.000 0.236 17 A C -0.638 176.854 177.584 -0.155 0.000 1.392 17 A CA -0.099 51.878 52.037 -0.099 0.000 1.205 17 A CB -1.646 17.402 19.000 0.080 0.000 0.881 17 A HN -0.053 8.098 8.150 0.002 0.000 0.558 18 N N -0.345 118.283 118.700 -0.119 0.000 2.120 18 N HA -0.203 4.552 4.740 0.025 0.000 0.188 18 N C 0.227 175.768 175.510 0.052 0.000 1.024 18 N CA 1.975 55.037 53.050 0.020 0.000 0.852 18 N CB 0.511 39.077 38.487 0.132 0.000 1.003 18 N HN -0.226 7.970 8.380 -0.106 0.120 0.424 19 Y N -0.861 119.494 120.300 0.091 0.000 2.310 19 Y HA 0.455 5.053 4.550 0.081 0.000 0.326 19 Y C -2.386 173.567 175.900 0.088 0.000 1.151 19 Y CA -4.458 53.693 58.100 0.086 0.000 1.195 19 Y CB -1.005 37.514 38.460 0.098 0.000 1.210 19 Y HN -0.429 7.580 8.280 -0.451 0.000 0.483 20 P HA -0.012 4.462 4.420 0.090 0.000 0.274 20 P C -0.586 176.831 177.300 0.196 0.000 1.246 20 P CA -0.833 62.346 63.100 0.132 0.000 0.795 20 P CB 1.722 33.506 31.700 0.140 0.000 1.006 21 Y N 0.812 121.132 120.300 0.033 0.000 2.293 21 Y HA -0.422 4.176 4.550 0.080 0.000 0.291 21 Y C 1.910 177.905 175.900 0.157 0.000 1.137 21 Y CA 4.291 62.428 58.100 0.061 0.000 1.202 21 Y CB 0.323 38.754 38.460 -0.050 0.000 0.990 21 Y HN 0.143 8.764 8.280 0.283 -0.172 0.537 22 S N -0.064 115.790 115.700 0.257 0.000 2.359 22 S HA -0.484 4.086 4.470 0.166 0.000 0.223 22 S C 1.711 176.385 174.600 0.124 0.000 1.039 22 S CA 3.687 61.988 58.200 0.168 0.000 1.042 22 S CB -0.422 62.858 63.200 0.133 0.000 0.915 22 S HN 0.098 8.908 8.310 0.248 -0.351 0.439 23 A N 0.902 123.811 122.820 0.148 0.000 1.898 23 A HA -0.235 4.131 4.320 0.077 0.000 0.216 23 A C 1.733 179.364 177.584 0.079 0.000 1.181 23 A CA 2.763 54.874 52.037 0.123 0.000 0.620 23 A CB -0.981 18.125 19.000 0.177 0.000 0.819 23 A HN 0.001 8.176 8.150 0.181 0.083 0.442 24 F N 0.462 120.375 119.950 -0.061 0.000 2.043 24 F HA -0.439 3.857 4.527 -0.384 0.000 0.297 24 F C 1.413 177.030 175.800 -0.305 0.000 1.121 24 F CA 3.256 61.061 58.000 -0.326 0.000 1.199 24 F CB 0.196 38.861 39.000 -0.557 0.000 0.968 24 F HN -0.276 8.209 8.300 0.308 0.000 0.478 25 I N -1.254 119.083 120.570 -0.388 0.000 2.179 25 I HA -0.574 3.186 4.170 -0.684 0.000 0.242 25 I C 1.997 177.968 176.117 -0.243 0.000 1.088 25 I CA 2.027 63.100 61.300 -0.378 0.000 1.357 25 I CB -1.764 36.193 38.000 -0.072 0.000 1.051 25 I HN 0.167 8.360 8.210 -0.030 0.000 0.409 26 A N -0.449 122.302 122.820 -0.115 0.000 1.917 26 A HA -0.439 3.850 4.320 -0.052 0.000 0.219 26 A C 2.187 179.717 177.584 -0.089 0.000 1.182 26 A CA 3.489 55.486 52.037 -0.066 0.000 0.633 26 A CB -1.211 17.783 19.000 -0.010 0.000 0.819 26 A HN 0.386 8.393 8.150 -0.058 0.107 0.448 27 S N -1.303 114.330 115.700 -0.110 0.000 2.353 27 S HA -0.347 4.094 4.470 -0.048 0.000 0.222 27 S C 2.300 176.836 174.600 -0.107 0.000 1.035 27 S CA 3.538 61.690 58.200 -0.080 0.000 1.025 27 S CB -0.008 63.175 63.200 -0.029 0.000 0.902 27 S HN -0.279 7.959 8.310 -0.120 0.000 0.440 28 V N 1.192 120.983 119.914 -0.205 0.000 2.358 28 V HA -0.470 3.579 4.120 -0.118 0.000 0.246 28 V C 1.226 177.231 176.094 -0.149 0.000 1.047 28 V CA 3.974 66.159 62.300 -0.192 0.000 1.035 28 V CB -0.400 31.222 31.823 -0.334 0.000 0.658 28 V HN -0.768 7.219 8.190 -0.339 0.000 0.452 29 R N 0.047 120.459 120.500 -0.148 0.000 2.094 29 R HA -0.519 3.764 4.340 -0.095 0.000 0.239 29 R C 2.131 178.391 176.300 -0.066 0.000 1.137 29 R CA 3.971 60.013 56.100 -0.097 0.000 0.943 29 R CB -0.199 30.054 30.300 -0.078 0.000 0.850 29 R HN 0.459 8.508 8.270 -0.189 0.108 0.433 30 K N -2.730 117.637 120.400 -0.055 0.000 2.074 30 K HA -0.342 3.964 4.320 -0.024 0.000 0.209 30 K C 2.277 178.863 176.600 -0.023 0.000 1.048 30 K CA 3.416 59.684 56.287 -0.032 0.000 0.926 30 K CB -0.739 31.746 32.500 -0.025 0.000 0.713 30 K HN -0.060 8.152 8.250 -0.064 0.000 0.444 31 D N -2.019 118.356 120.400 -0.041 0.000 2.123 31 D HA -0.197 4.452 4.640 0.015 0.000 0.200 31 D C 2.243 178.490 176.300 -0.088 0.000 0.976 31 D CA 2.933 56.911 54.000 -0.037 0.000 0.831 31 D CB -0.156 40.610 40.800 -0.057 0.000 0.974 31 D HN -0.691 7.644 8.370 -0.058 0.000 0.469 32 V N 0.153 119.987 119.914 -0.133 0.000 2.515 32 V HA -0.396 3.506 4.120 -0.363 0.000 0.250 32 V C 1.006 177.092 176.094 -0.013 0.000 1.058 32 V CA 2.852 65.058 62.300 -0.157 0.000 1.064 32 V CB 0.173 31.922 31.823 -0.123 0.000 0.675 32 V HN -0.452 7.669 8.190 -0.114 0.000 0.461 33 I N -1.382 119.189 120.570 0.001 0.000 2.361 33 I HA -0.546 3.639 4.170 0.024 0.000 0.251 33 I C 0.674 176.828 176.117 0.063 0.000 1.133 33 I CA 3.651 64.963 61.300 0.021 0.000 1.413 33 I CB -0.523 37.470 38.000 -0.013 0.000 1.073 33 I HN -0.050 8.145 8.210 -0.025 0.000 0.424 34 K N -3.338 117.123 120.400 0.101 0.000 2.103 34 K HA -0.356 4.007 4.320 0.072 0.000 0.207 34 K C 1.165 177.872 176.600 0.179 0.000 1.048 34 K CA 2.396 58.764 56.287 0.135 0.000 0.930 34 K CB -0.016 32.584 32.500 0.166 0.000 0.716 34 K HN -0.766 7.522 8.250 0.082 0.011 0.444 35 H N -3.326 115.754 119.070 0.017 0.000 2.415 35 H HA -0.067 4.505 4.556 0.026 0.000 0.297 35 H C 1.024 176.371 175.328 0.032 0.000 1.048 35 H CA 0.870 56.935 56.048 0.028 0.000 1.365 35 H CB 0.887 30.673 29.762 0.040 0.000 1.421 35 H HN -0.408 7.945 8.280 0.367 0.148 0.533 36 C N 0.025 119.422 119.300 0.162 0.000 2.758 36 C HA -0.276 4.313 4.460 0.109 -0.063 0.371 36 C C -0.804 174.227 174.990 0.068 0.000 1.342 36 C CA 1.867 60.946 59.018 0.102 0.000 2.257 36 C CB 1.033 28.821 27.740 0.079 0.000 2.621 36 C HN -0.511 7.818 8.230 0.165 0.000 0.730 37 T N 2.353 116.944 114.554 0.061 0.000 2.924 37 T HA 0.292 4.664 4.350 0.036 0.000 0.291 37 T C -1.340 173.392 174.700 0.054 0.000 1.045 37 T CA -0.642 61.488 62.100 0.050 0.000 1.015 37 T CB 1.782 70.683 68.868 0.055 0.000 1.103 37 T HN 0.636 8.918 8.240 0.070 0.000 0.496 38 D N 1.953 122.379 120.400 0.043 0.000 2.371 38 D HA -0.077 4.589 4.640 0.044 0.000 0.242 38 D C -0.405 175.970 176.300 0.124 0.000 1.218 38 D CA 0.968 55.000 54.000 0.053 0.000 0.945 38 D CB 0.687 41.499 40.800 0.020 0.000 1.137 38 D HN 0.186 8.574 8.370 0.030 0.000 0.464 39 H N 0.780 119.874 119.070 0.040 0.000 2.961 39 H HA 0.320 4.912 4.556 0.060 0.000 0.371 39 H C -1.151 174.214 175.328 0.061 0.000 1.190 39 H CA -0.616 55.471 56.048 0.066 0.000 1.138 39 H CB 3.451 33.278 29.762 0.107 0.000 1.816 39 H HN 0.259 8.637 8.280 0.164 0.000 0.551 40 K N 5.824 126.102 120.400 -0.202 0.000 2.451 40 K HA -0.158 4.158 4.320 -0.007 0.000 0.280 40 K C 0.403 177.096 176.600 0.154 0.000 1.020 40 K CA 1.330 57.591 56.287 -0.043 0.000 1.008 40 K CB -0.037 32.380 32.500 -0.139 0.000 0.917 40 K HN 0.473 8.242 8.250 -0.802 0.000 0.478 41 G N 2.063 110.932 108.800 0.116 0.000 2.189 41 G HA2 -0.300 3.714 3.960 0.089 0.000 0.267 41 G HA3 -0.300 3.894 3.960 0.099 -0.175 0.267 41 G C -1.008 173.991 174.900 0.165 0.000 0.975 41 G CA 0.583 45.755 45.100 0.120 0.000 0.644 41 G HN 0.290 8.628 8.290 0.079 0.000 0.537 42 I N 0.555 121.251 120.570 0.210 0.000 2.354 42 I HA 0.180 4.464 4.170 0.190 0.000 0.286 42 I C -0.776 175.458 176.117 0.195 0.000 1.007 42 I CA -1.201 60.218 61.300 0.199 0.000 1.167 42 I CB 0.109 38.220 38.000 0.184 0.000 1.320 42 I HN -0.674 7.611 8.210 0.225 0.060 0.458 43 F N 8.299 128.282 119.950 0.054 0.000 2.134 43 F HA -0.290 4.260 4.527 0.038 0.000 0.299 43 F C -0.173 175.656 175.800 0.048 0.000 1.097 43 F CA 1.780 59.803 58.000 0.038 0.000 1.264 43 F CB 0.795 39.803 39.000 0.013 0.000 1.001 43 F HN 0.261 8.754 8.300 0.322 0.000 0.479 44 Q N -0.081 119.770 119.800 0.085 0.000 2.300 44 Q HA -0.010 4.297 4.340 -0.056 0.000 0.280 44 Q C -1.757 174.230 176.000 -0.022 0.000 1.033 44 Q CA -0.643 55.168 55.803 0.013 0.000 0.903 44 Q CB -0.370 28.429 28.738 0.101 0.000 1.195 44 Q HN -0.184 8.221 8.270 0.224 0.000 0.386 45 P HA -0.189 4.219 4.420 -0.019 0.000 0.264 45 P C -1.476 175.854 177.300 0.050 0.000 1.183 45 P CA 0.009 63.103 63.100 -0.009 0.000 0.763 45 P CB 0.264 31.954 31.700 -0.016 0.000 0.807 46 V N 3.971 123.921 119.914 0.061 0.000 2.398 46 V HA 0.326 4.650 4.120 0.053 -0.173 0.286 46 V C 0.149 176.289 176.094 0.078 0.000 1.026 46 V CA -0.825 61.513 62.300 0.063 0.000 0.868 46 V CB 1.110 32.973 31.823 0.067 0.000 0.982 46 V HN 0.640 8.865 8.190 0.058 0.000 0.443 47 L N 8.284 129.565 121.223 0.096 0.000 2.479 47 L HA 0.174 4.591 4.340 0.127 0.000 0.270 47 L C -1.822 175.098 176.870 0.083 0.000 1.236 47 L CA -0.550 54.361 54.840 0.118 0.000 0.823 47 L CB -0.139 42.027 42.059 0.178 0.000 1.098 47 L HN 0.274 8.562 8.230 0.096 0.000 0.500 48 P HA 0.220 4.671 4.420 0.053 0.000 0.274 48 P C -2.218 175.114 177.300 0.053 0.000 1.246 48 P CA -1.967 61.173 63.100 0.066 0.000 0.795 48 P CB -0.721 31.025 31.700 0.075 0.000 1.006 49 P HA -0.019 4.406 4.420 0.008 0.000 0.270 49 P C -0.901 176.418 177.300 0.032 0.000 1.227 49 P CA -0.379 62.733 63.100 0.019 0.000 0.788 49 P CB 0.681 32.385 31.700 0.006 0.000 0.926 50 E N 1.319 121.533 120.200 0.024 0.000 2.081 50 E HA -0.202 4.173 4.350 0.042 0.000 0.270 50 E C -0.778 175.834 176.600 0.019 0.000 1.180 50 E CA 0.237 56.653 56.400 0.027 0.000 0.926 50 E CB -0.679 29.032 29.700 0.017 0.000 1.035 50 E HN 0.219 8.586 8.360 0.011 0.000 0.418 51 K N 6.956 127.372 120.400 0.027 0.000 2.218 51 K HA 0.043 4.371 4.320 0.015 0.000 0.276 51 K C -0.325 176.274 176.600 -0.002 0.000 1.022 51 K CA -1.144 55.155 56.287 0.019 0.000 0.946 51 K CB 0.402 32.923 32.500 0.035 0.000 1.000 51 K HN 0.105 8.735 8.250 0.042 -0.355 0.468 52 K N 1.769 122.158 120.400 -0.018 0.000 2.167 52 K HA -0.188 4.083 4.320 -0.083 0.000 0.203 52 K C -0.723 175.822 176.600 -0.093 0.000 1.052 52 K CA 2.192 58.440 56.287 -0.066 0.000 0.956 52 K CB 0.527 32.993 32.500 -0.057 0.000 0.735 52 K HN 0.393 8.640 8.250 -0.005 0.000 0.451 53 V N -5.996 113.902 119.914 -0.026 0.000 2.315 53 V HA 0.299 4.412 4.120 -0.012 0.000 0.265 53 V C -2.118 174.007 176.094 0.051 0.000 1.019 53 V CA -5.090 57.215 62.300 0.010 0.000 0.824 53 V CB -0.179 31.672 31.823 0.047 0.000 1.072 53 V HN -0.522 7.667 8.190 -0.001 0.000 0.448 54 P HA 0.167 4.631 4.420 0.074 0.000 0.286 54 P C -0.195 177.167 177.300 0.104 0.000 1.293 54 P CA -0.956 62.205 63.100 0.102 0.000 0.770 54 P CB 1.231 33.019 31.700 0.145 0.000 1.206 55 E N -1.486 118.766 120.200 0.087 0.000 2.051 55 E HA -0.192 4.184 4.350 0.045 0.000 0.192 55 E C -0.523 176.122 176.600 0.075 0.000 0.991 55 E CA 2.074 58.511 56.400 0.061 0.000 0.799 55 E CB 0.429 30.148 29.700 0.030 0.000 0.748 55 E HN 0.351 8.761 8.360 0.083 0.000 0.449 56 L N -9.012 112.286 121.223 0.125 0.000 2.630 56 L HA 0.411 4.751 4.340 -0.000 0.000 0.258 56 L C -2.230 174.776 176.870 0.227 0.000 1.072 56 L CA -1.115 53.772 54.840 0.078 0.000 0.885 56 L CB 2.643 44.716 42.059 0.024 0.000 1.502 56 L HN -0.698 7.630 8.230 0.164 0.000 0.406 57 W N -4.901 116.419 121.300 0.034 0.000 3.038 57 W HA 0.264 4.950 4.660 0.044 0.000 0.347 57 W C -2.406 174.138 176.519 0.042 0.000 1.219 57 W CA -2.167 55.196 57.345 0.029 0.000 1.142 57 W CB 1.489 30.949 29.460 0.000 0.000 1.484 57 W HN -0.353 7.565 8.180 -0.437 0.000 0.586 58 L N 0.947 122.375 121.223 0.342 0.000 2.268 58 L HA 0.221 4.616 4.340 0.092 0.000 0.289 58 L C -1.628 175.474 176.870 0.386 0.000 1.064 58 L CA -0.659 54.309 54.840 0.215 0.000 0.824 58 L CB -0.125 42.022 42.059 0.146 0.000 1.202 58 L HN 0.239 8.742 8.230 0.455 0.000 0.433 59 Y N 7.312 127.631 120.300 0.032 0.000 2.328 59 Y HA 0.577 5.448 4.550 0.309 -0.135 0.337 59 Y C -1.073 174.887 175.900 0.099 0.000 1.008 59 Y CA -2.666 55.481 58.100 0.078 0.000 1.129 59 Y CB 2.289 40.616 38.460 -0.220 0.000 1.185 59 Y HN 0.342 8.698 8.280 0.127 0.000 0.476 60 T N 9.591 124.253 114.554 0.180 0.000 2.893 60 T HA 0.437 5.019 4.350 0.124 -0.158 0.293 60 T C -2.291 172.422 174.700 0.020 0.000 1.027 60 T CA -0.678 61.506 62.100 0.140 0.000 0.988 60 T CB 3.204 72.224 68.868 0.254 0.000 1.043 60 T HN 0.614 9.017 8.240 0.272 0.000 0.461 61 E N 5.780 126.000 120.200 0.033 0.000 2.185 61 E HA 0.695 5.187 4.350 -0.067 -0.182 0.261 61 E C -2.255 174.408 176.600 0.105 0.000 0.879 61 E CA -1.562 54.824 56.400 -0.023 0.000 0.756 61 E CB 3.205 32.829 29.700 -0.127 0.000 1.152 61 E HN 0.765 9.083 8.360 0.103 0.104 0.416 62 L N 7.350 128.630 121.223 0.095 0.000 2.260 62 L HA 0.318 4.899 4.340 0.164 -0.142 0.289 62 L C -1.681 175.231 176.870 0.071 0.000 1.057 62 L CA -0.441 54.465 54.840 0.110 0.000 0.811 62 L CB 0.931 43.043 42.059 0.088 0.000 1.184 62 L HN 0.728 8.986 8.230 0.046 0.000 0.429 63 K N 6.050 126.499 120.400 0.082 0.000 2.358 63 K HA 0.771 5.261 4.320 0.037 -0.148 0.260 63 K C -0.650 175.994 176.600 0.073 0.000 0.956 63 K CA -1.641 54.679 56.287 0.056 0.000 0.834 63 K CB 3.040 35.561 32.500 0.036 0.000 1.102 63 K HN 0.721 9.043 8.250 0.120 0.000 0.431 64 T N 4.070 118.661 114.554 0.061 0.000 2.893 64 T HA 0.329 4.728 4.350 0.082 0.000 0.281 64 T C 0.467 175.195 174.700 0.046 0.000 1.027 64 T CA -2.312 59.826 62.100 0.064 0.000 0.953 64 T CB 1.469 70.374 68.868 0.062 0.000 1.434 64 T HN 0.898 9.061 8.240 0.049 0.106 0.597 65 R N 0.344 120.867 120.500 0.037 0.000 2.117 65 R HA -0.254 4.101 4.340 0.025 0.000 0.243 65 R C 0.596 176.907 176.300 0.018 0.000 1.143 65 R CA 3.208 59.323 56.100 0.024 0.000 0.968 65 R CB 0.262 30.571 30.300 0.014 0.000 0.863 65 R HN 0.640 8.934 8.270 0.039 0.000 0.444 66 T N -3.809 110.756 114.554 0.019 0.000 2.969 66 T HA 0.104 4.460 4.350 0.010 0.000 0.258 66 T C -0.640 174.069 174.700 0.015 0.000 0.962 66 T CA 0.289 62.397 62.100 0.014 0.000 0.903 66 T CB 1.527 70.402 68.868 0.011 0.000 1.177 66 T HN -0.142 8.103 8.240 0.023 0.009 0.511 67 S N 1.679 117.392 115.700 0.021 0.000 2.627 67 S HA 0.337 4.815 4.470 0.014 0.000 0.283 67 S C -2.118 172.493 174.600 0.019 0.000 1.127 67 S CA -0.676 57.537 58.200 0.022 0.000 0.863 67 S CB 3.702 66.922 63.200 0.033 0.000 1.121 67 S HN -0.681 7.645 8.310 0.027 0.000 0.479 68 S N 0.957 116.659 115.700 0.005 0.000 2.571 68 S HA 0.758 5.379 4.470 -0.003 -0.153 0.284 68 S C -1.653 172.918 174.600 -0.048 0.000 1.128 68 S CA -0.809 57.380 58.200 -0.019 0.000 0.970 68 S CB 2.743 65.917 63.200 -0.043 0.000 1.039 68 S HN 0.210 8.521 8.310 0.003 0.000 0.485 69 I N -0.834 119.697 120.570 -0.065 0.000 2.582 69 I HA 0.692 4.660 4.170 -0.336 0.000 0.292 69 I C -1.940 174.038 176.117 -0.231 0.000 1.066 69 I CA -2.304 58.879 61.300 -0.194 0.000 1.053 69 I CB 3.559 41.564 38.000 0.008 0.000 1.241 69 I HN 0.724 8.917 8.210 -0.029 0.000 0.421 70 T N 6.133 120.452 114.554 -0.392 0.000 2.867 70 T HA 0.727 5.119 4.350 -0.210 -0.168 0.282 70 T C -0.453 174.168 174.700 -0.132 0.000 1.000 70 T CA -1.005 60.928 62.100 -0.279 0.000 1.042 70 T CB 1.182 69.808 68.868 -0.404 0.000 0.973 70 T HN -0.163 7.718 8.240 -0.598 0.000 0.465 71 L N -0.712 120.574 121.223 0.105 0.000 2.386 71 L HA 0.836 5.504 4.340 0.336 -0.126 0.271 71 L C -2.397 174.742 176.870 0.449 0.000 0.993 71 L CA -2.180 52.834 54.840 0.290 0.000 0.819 71 L CB 3.541 45.762 42.059 0.270 0.000 1.294 71 L HN 0.897 9.166 8.230 0.066 0.000 0.414 72 A N 2.152 125.248 122.820 0.461 0.000 2.256 72 A HA 0.535 5.373 4.320 0.864 0.000 0.317 72 A C -1.919 175.822 177.584 0.262 0.000 1.318 72 A CA -1.727 50.603 52.037 0.490 0.000 0.894 72 A CB 1.829 20.942 19.000 0.188 0.000 1.165 72 A HN 0.995 9.377 8.150 0.388 0.000 0.525 73 I N 5.156 125.925 120.570 0.330 0.000 2.330 73 I HA 0.413 4.872 4.170 0.109 -0.224 0.286 73 I C -0.951 175.294 176.117 0.214 0.000 1.025 73 I CA -2.937 58.481 61.300 0.196 0.000 1.197 73 I CB 0.341 38.442 38.000 0.168 0.000 1.358 73 I HN 0.745 9.265 8.210 0.517 0.000 0.467 74 R N 8.486 129.041 120.500 0.093 0.000 2.421 74 R HA 0.013 4.434 4.340 0.136 0.000 0.305 74 R C 0.714 177.098 176.300 0.140 0.000 1.039 74 R CA 0.559 56.709 56.100 0.083 0.000 1.003 74 R CB 1.189 31.476 30.300 -0.023 0.000 0.959 74 R HN -0.315 7.991 8.270 0.059 0.000 0.427 75 M N 3.223 122.933 119.600 0.182 0.000 2.195 75 M HA -0.330 4.208 4.480 0.097 0.000 0.260 75 M C -0.369 176.012 176.300 0.135 0.000 1.066 75 M CA 3.288 58.669 55.300 0.136 0.000 1.089 75 M CB -0.336 32.347 32.600 0.139 0.000 1.377 75 M HN 0.533 8.981 8.290 0.264 0.000 0.411 76 D N -3.854 116.628 120.400 0.137 0.000 2.269 76 D HA -0.139 4.582 4.640 0.134 0.000 0.208 76 D C 0.233 176.624 176.300 0.152 0.000 0.963 76 D CA 2.292 56.369 54.000 0.129 0.000 0.864 76 D CB -0.017 40.840 40.800 0.095 0.000 0.936 76 D HN 0.274 8.720 8.370 0.137 0.006 0.505 77 N N -3.932 114.864 118.700 0.161 0.000 2.317 77 N HA 0.092 4.993 4.740 0.268 0.000 0.199 77 N C 0.615 176.241 175.510 0.195 0.000 1.145 77 N CA -0.159 53.019 53.050 0.213 0.000 0.882 77 N CB 2.493 41.087 38.487 0.179 0.000 1.113 77 N HN -0.687 7.635 8.380 0.137 0.140 0.486 78 L N -1.956 119.331 121.223 0.107 0.000 3.829 78 L HA -0.492 3.937 4.340 0.040 -0.065 0.440 78 L C -2.138 174.746 176.870 0.024 0.000 1.192 78 L CA 0.874 55.715 54.840 0.003 0.000 0.848 78 L CB -3.201 38.775 42.059 -0.139 0.000 1.744 78 L HN 0.008 8.312 8.230 0.124 0.000 0.920 79 Y N -1.073 119.205 120.300 -0.036 0.000 2.420 79 Y HA 0.218 4.722 4.550 -0.076 0.000 0.334 79 Y C -1.526 174.375 175.900 0.002 0.000 1.094 79 Y CA -1.950 56.124 58.100 -0.044 0.000 1.126 79 Y CB 3.215 41.653 38.460 -0.036 0.000 1.217 79 Y HN -0.970 7.425 8.280 0.199 0.004 0.462 80 L N 6.419 127.252 121.223 -0.651 0.000 2.462 80 L HA 0.018 4.482 4.340 -0.081 -0.173 0.283 80 L C 0.087 176.718 176.870 -0.398 0.000 1.166 80 L CA -0.165 54.465 54.840 -0.350 0.000 0.964 80 L CB -0.617 41.341 42.059 -0.169 0.000 1.294 80 L HN 0.474 8.031 8.230 -1.121 0.000 0.449 81 V N 0.231 120.099 119.914 -0.076 0.000 2.591 81 V HA -0.060 4.165 4.120 0.175 0.000 0.249 81 V C -0.700 175.572 176.094 0.296 0.000 1.053 81 V CA 0.467 62.837 62.300 0.118 0.000 1.068 81 V CB 0.606 32.459 31.823 0.051 0.000 0.689 81 V HN 0.346 8.518 8.190 -0.029 0.000 0.462 82 G N -4.572 104.385 108.800 0.262 0.000 2.548 82 G HA2 0.470 4.654 3.960 0.341 0.000 0.301 82 G HA3 0.470 4.627 3.960 0.250 -0.047 0.301 82 G C -3.734 171.430 174.900 0.441 0.000 1.349 82 G CA 0.295 45.589 45.100 0.324 0.000 0.792 82 G HN -0.911 7.500 8.290 0.201 0.000 0.481 83 F N -0.934 119.208 119.950 0.321 0.000 2.626 83 F HA 0.882 5.756 4.527 0.318 -0.157 0.311 83 F C -2.677 173.395 175.800 0.454 0.000 1.088 83 F CA -1.883 56.312 58.000 0.326 0.000 0.949 83 F CB 5.004 44.105 39.000 0.169 0.000 1.322 83 F HN 0.682 9.237 8.300 0.594 0.101 0.461 84 R N 4.091 124.390 120.500 -0.336 0.000 2.409 84 R HA 0.639 5.094 4.340 -0.063 -0.152 0.313 84 R C -0.700 175.255 176.300 -0.576 0.000 0.953 84 R CA -1.551 54.385 56.100 -0.273 0.000 0.849 84 R CB 3.492 33.699 30.300 -0.155 0.000 1.171 84 R HN 0.624 8.283 8.270 -1.018 0.000 0.458 85 T N 9.648 124.172 114.554 -0.050 0.000 2.919 85 T HA 0.251 4.695 4.350 0.158 0.000 0.302 85 T C -0.124 174.525 174.700 -0.086 0.000 1.031 85 T CA -1.111 61.052 62.100 0.105 0.000 1.127 85 T CB -0.395 68.695 68.868 0.371 0.000 0.952 85 T HN 0.426 8.751 8.240 0.141 0.000 0.540 86 P HA -0.071 4.272 4.420 -0.127 0.000 0.228 86 P C 1.004 178.261 177.300 -0.071 0.000 1.151 86 P CA 1.130 64.181 63.100 -0.081 0.000 0.770 86 P CB -0.303 31.369 31.700 -0.045 0.000 0.786 87 G N -2.463 106.314 108.800 -0.038 0.000 2.625 87 G HA2 -0.207 3.731 3.960 -0.036 0.000 0.214 87 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.214 87 G C 0.355 175.190 174.900 -0.108 0.000 1.132 87 G CA -0.146 44.929 45.100 -0.042 0.000 0.782 87 G HN 0.024 8.281 8.290 0.007 0.037 0.538 88 G N -0.778 107.900 108.800 -0.204 0.000 2.131 88 G HA2 -0.309 3.392 3.960 -0.432 0.000 0.223 88 G HA3 -0.309 3.502 3.960 -0.249 0.000 0.223 88 G C -0.777 173.820 174.900 -0.505 0.000 0.990 88 G CA -0.180 44.713 45.100 -0.346 0.000 0.671 88 G HN -0.124 7.876 8.290 -0.202 0.169 0.521 89 V N -6.830 112.837 119.914 -0.411 0.000 2.994 89 V HA 0.524 4.417 4.120 -0.378 0.000 0.318 89 V C -1.260 174.625 176.094 -0.348 0.000 1.085 89 V CA -2.954 59.132 62.300 -0.358 0.000 0.998 89 V CB 2.467 34.163 31.823 -0.212 0.000 1.063 89 V HN -1.042 6.982 8.190 -0.276 0.000 0.447 90 W N -0.840 120.431 121.300 -0.049 0.000 2.719 90 W HA 0.649 5.617 4.660 0.262 -0.150 0.352 90 W C -0.592 175.883 176.519 -0.074 0.000 1.085 90 W CA -0.832 56.560 57.345 0.077 0.000 1.187 90 W CB 4.463 33.959 29.460 0.060 0.000 1.417 90 W HN 0.067 8.344 8.180 0.161 0.000 0.557 91 W N -2.663 118.832 121.300 0.326 0.000 2.962 91 W HA 0.505 5.373 4.660 0.037 -0.187 0.341 91 W C -1.680 174.915 176.519 0.126 0.000 1.155 91 W CA -1.128 56.301 57.345 0.141 0.000 1.165 91 W CB 4.239 33.750 29.460 0.084 0.000 1.435 91 W HN 0.841 9.384 8.180 0.770 0.099 0.546 92 E N -0.767 119.609 120.200 0.293 0.000 2.356 92 E HA 0.634 5.293 4.350 0.263 -0.151 0.275 92 E C -1.301 175.442 176.600 0.239 0.000 0.904 92 E CA -2.146 54.402 56.400 0.246 0.000 0.757 92 E CB 4.812 34.633 29.700 0.203 0.000 1.232 92 E HN 0.484 9.017 8.360 0.288 0.000 0.442 93 F N 2.989 123.075 119.950 0.227 0.000 2.543 93 F HA -0.054 4.614 4.527 0.234 0.000 0.375 93 F C -0.063 175.877 175.800 0.233 0.000 1.075 93 F CA 2.382 60.523 58.000 0.234 0.000 1.225 93 F CB 0.158 39.311 39.000 0.254 0.000 1.099 93 F HN 0.140 8.790 8.300 0.583 0.000 0.561 94 G N 4.475 113.501 108.800 0.378 0.000 2.359 94 G HA2 -0.129 3.955 3.960 0.206 0.000 0.303 94 G HA3 -0.129 3.981 3.960 0.249 0.000 0.303 94 G C -3.694 171.319 174.900 0.188 0.000 1.293 94 G CA -0.579 44.673 45.100 0.253 0.000 0.964 94 G HN -0.496 8.004 8.290 0.351 0.000 0.531 95 K N -0.205 120.212 120.400 0.028 0.000 2.525 95 K HA 0.233 4.522 4.320 -0.052 0.000 0.254 95 K C -1.684 174.638 176.600 -0.463 0.000 0.934 95 K CA -1.041 55.149 56.287 -0.162 0.000 0.802 95 K CB 2.992 35.397 32.500 -0.158 0.000 1.295 95 K HN 0.068 8.319 8.250 0.003 0.000 0.433 96 D N 1.606 121.342 120.400 -1.106 0.000 2.701 96 D HA -0.221 3.256 4.640 -1.937 0.000 0.235 96 D C -1.820 174.115 176.300 -0.609 0.000 1.155 96 D CA 0.962 54.274 54.000 -1.148 0.000 0.649 96 D CB -0.306 40.117 40.800 -0.628 0.000 1.050 96 D HN 0.023 7.526 8.370 -1.444 0.000 0.425 97 G N -1.214 107.318 108.800 -0.446 0.000 2.718 97 G HA2 -0.124 3.865 3.960 0.048 0.000 0.302 97 G HA3 -0.124 3.827 3.960 -0.014 0.000 0.302 97 G C -2.344 172.743 174.900 0.311 0.000 2.393 97 G CA -0.353 44.757 45.100 0.018 0.000 0.854 97 G HN -0.381 7.359 8.290 -0.899 0.011 0.388 98 D N 2.385 123.066 120.400 0.468 0.000 2.387 98 D HA -0.011 4.920 4.640 0.333 -0.091 0.255 98 D C -1.415 174.987 176.300 0.169 0.000 1.081 98 D CA -1.115 53.088 54.000 0.338 0.000 0.994 98 D CB 2.181 43.135 40.800 0.257 0.000 1.127 98 D HN -0.292 8.334 8.370 0.425 0.000 0.513 99 T N -2.264 112.337 114.554 0.078 0.000 2.893 99 T HA 0.338 4.716 4.350 0.047 0.000 0.293 99 T C -0.107 174.558 174.700 -0.059 0.000 1.027 99 T CA -1.220 60.875 62.100 -0.009 0.000 0.988 99 T CB 3.101 71.917 68.868 -0.086 0.000 1.043 99 T HN 0.280 8.903 8.240 0.059 -0.347 0.461 100 H N 3.145 122.168 119.070 -0.077 0.000 2.611 100 H HA 0.014 4.588 4.556 -0.138 -0.101 0.283 100 H C 0.285 175.515 175.328 -0.163 0.000 1.075 100 H CA -0.255 55.724 56.048 -0.115 0.000 1.184 100 H CB -1.296 28.421 29.762 -0.076 0.000 1.294 100 H HN 0.558 8.854 8.280 0.026 0.000 0.619 101 L N 0.875 121.888 121.223 -0.350 0.000 2.072 101 L HA -0.127 3.985 4.340 -0.380 0.000 0.205 101 L C 0.629 177.230 176.870 -0.449 0.000 1.079 101 L CA 1.995 56.569 54.840 -0.443 0.000 0.752 101 L CB -0.185 41.547 42.059 -0.544 0.000 0.906 101 L HN -0.678 7.229 8.230 -0.308 0.138 0.436 102 L N -3.468 117.485 121.223 -0.449 0.000 2.762 102 L HA -0.105 3.920 4.340 -0.526 0.000 0.250 102 L C -0.293 176.051 176.870 -0.877 0.000 1.160 102 L CA -0.459 54.031 54.840 -0.583 0.000 0.951 102 L CB -2.952 38.839 42.059 -0.447 0.000 1.148 102 L HN -0.552 7.461 8.230 -0.361 0.000 0.424 103 G N -0.880 107.613 108.800 -0.511 0.000 2.523 103 G HA2 -0.469 3.342 3.960 -0.248 0.000 0.271 103 G HA3 -0.469 3.065 3.960 -0.710 0.000 0.271 103 G C -1.440 173.231 174.900 -0.382 0.000 1.146 103 G CA 0.149 44.961 45.100 -0.480 0.000 0.961 103 G HN -0.448 7.525 8.290 -0.304 0.135 0.549 104 D N 2.535 122.697 120.400 -0.398 0.000 2.378 104 D HA -0.148 4.433 4.640 -0.098 0.000 0.238 104 D C -0.246 175.966 176.300 -0.148 0.000 1.180 104 D CA -0.226 53.676 54.000 -0.163 0.000 0.895 104 D CB 0.891 41.686 40.800 -0.007 0.000 1.192 104 D HN 0.090 8.111 8.370 -0.583 0.000 0.438 105 N N 1.384 120.045 118.700 -0.066 0.000 2.374 105 N HA -0.230 4.474 4.740 -0.060 0.000 0.269 105 N C -1.393 174.048 175.510 -0.116 0.000 1.310 105 N CA -0.439 52.568 53.050 -0.072 0.000 0.877 105 N CB -0.328 38.133 38.487 -0.044 0.000 1.096 105 N HN 0.226 8.582 8.380 -0.040 0.000 0.484 106 P HA 0.017 4.484 4.420 -0.040 -0.071 0.274 106 P C -0.617 176.365 177.300 -0.529 0.000 1.256 106 P CA -0.449 62.554 63.100 -0.162 0.000 0.795 106 P CB 1.078 32.764 31.700 -0.023 0.000 1.038 107 R N -1.511 118.554 120.500 -0.725 0.000 2.738 107 R HA 0.061 3.486 4.340 -1.526 0.000 0.275 107 R C -0.326 175.574 176.300 -0.666 0.000 1.121 107 R CA 0.179 55.613 56.100 -1.110 0.000 1.207 107 R CB 1.304 30.666 30.300 -1.564 0.000 1.141 107 R HN 0.434 8.225 8.270 -0.617 0.109 0.571 108 W N -2.181 119.137 121.300 0.030 0.000 2.529 108 W HA 0.444 5.341 4.660 0.153 -0.145 0.321 108 W C 0.230 176.930 176.519 0.303 0.000 1.047 108 W CA -1.679 55.755 57.345 0.149 0.000 1.216 108 W CB 1.417 30.913 29.460 0.061 0.000 1.357 108 W HN 0.062 8.011 8.180 -0.386 0.000 0.489 109 L N 1.213 122.676 121.223 0.400 0.000 2.376 109 L HA -0.270 4.211 4.340 0.235 0.000 0.219 109 L C 0.795 177.749 176.870 0.140 0.000 1.133 109 L CA 1.241 56.199 54.840 0.197 0.000 0.816 109 L CB -0.121 41.855 42.059 -0.138 0.000 0.933 109 L HN 0.615 9.042 8.230 0.329 0.000 0.449 110 G N -2.373 106.477 108.800 0.084 0.000 2.253 110 G HA2 -0.356 3.509 3.960 -0.158 0.000 0.251 110 G HA3 -0.356 3.330 3.960 -0.455 0.000 0.251 110 G C -1.089 173.501 174.900 -0.517 0.000 0.998 110 G CA 0.752 45.694 45.100 -0.264 0.000 0.621 110 G HN 0.143 8.525 8.290 0.207 0.032 0.524 111 F N -1.563 118.465 119.950 0.130 0.000 2.706 111 F HA 0.144 4.736 4.527 0.109 0.000 0.328 111 F C -0.952 174.999 175.800 0.251 0.000 1.123 111 F CA -1.607 56.476 58.000 0.138 0.000 0.978 111 F CB 2.426 41.485 39.000 0.098 0.000 1.404 111 F HN -0.859 7.475 8.300 0.206 0.090 0.497 112 G N -0.916 108.152 108.800 0.447 0.000 2.546 112 G HA2 0.067 4.285 3.960 0.431 0.000 0.239 112 G HA3 0.067 4.168 3.960 0.236 0.000 0.239 112 G C -1.452 173.727 174.900 0.466 0.000 1.476 112 G CA -1.295 44.038 45.100 0.388 0.000 1.064 112 G HN -0.217 8.564 8.290 0.414 -0.242 0.561 113 G N -1.747 107.183 108.800 0.216 0.000 4.740 113 G HA2 0.269 4.435 3.960 0.343 0.000 0.290 113 G HA3 0.269 4.185 3.960 -0.074 0.000 0.290 113 G C -1.529 173.425 174.900 0.089 0.000 1.333 113 G CA -0.245 44.951 45.100 0.160 0.000 0.923 113 G HN -0.037 8.329 8.290 0.127 0.000 0.559 114 R N 1.112 121.650 120.500 0.063 0.000 2.766 114 R HA 0.509 4.893 4.340 0.073 0.000 0.270 114 R C -0.872 175.421 176.300 -0.011 0.000 1.035 114 R CA -2.245 53.862 56.100 0.011 0.000 0.911 114 R CB 1.559 31.809 30.300 -0.082 0.000 1.243 114 R HN 0.170 8.895 8.270 0.077 -0.409 0.460 115 Y N 0.058 120.366 120.300 0.013 0.000 2.256 115 Y HA -0.384 4.158 4.550 -0.013 0.000 0.288 115 Y C 1.144 177.040 175.900 -0.007 0.000 1.155 115 Y CA 3.026 61.124 58.100 -0.004 0.000 1.203 115 Y CB -0.925 37.532 38.460 -0.006 0.000 0.980 115 Y HN 0.453 8.864 8.280 0.217 0.000 0.530 116 Q N -2.196 117.277 119.800 -0.544 0.000 2.234 116 Q HA -0.394 3.815 4.340 -0.218 0.000 0.206 116 Q C 0.720 176.646 176.000 -0.124 0.000 0.980 116 Q CA 2.225 57.826 55.803 -0.337 0.000 0.869 116 Q CB -0.532 27.961 28.738 -0.409 0.000 0.912 116 Q HN 0.140 7.793 8.270 -1.000 0.017 0.436 117 D N -0.173 120.166 120.400 -0.102 0.000 2.103 117 D HA -0.192 4.411 4.640 -0.062 0.000 0.199 117 D C 1.325 177.516 176.300 -0.181 0.000 0.978 117 D CA 2.584 56.517 54.000 -0.112 0.000 0.829 117 D CB 0.020 40.760 40.800 -0.100 0.000 0.981 117 D HN -0.274 7.893 8.370 -0.113 0.136 0.464 118 L N -1.940 119.214 121.223 -0.116 0.000 2.049 118 L HA -0.072 4.147 4.340 -0.201 0.000 0.203 118 L C 1.504 178.339 176.870 -0.058 0.000 1.074 118 L CA 2.296 57.068 54.840 -0.113 0.000 0.749 118 L CB 0.477 42.505 42.059 -0.052 0.000 0.907 118 L HN -0.765 7.429 8.230 -0.060 0.000 0.439 119 I N -9.134 111.442 120.570 0.011 0.000 4.706 119 I HA 0.349 4.524 4.170 0.009 0.000 0.321 119 I C 1.370 177.530 176.117 0.072 0.000 1.249 119 I CA -0.513 60.810 61.300 0.038 0.000 1.321 119 I CB 2.796 40.826 38.000 0.049 0.000 1.342 119 I HN 0.184 8.421 8.210 0.044 0.000 0.463 120 G N 2.237 111.112 108.800 0.125 0.000 5.431 120 G HA2 -0.583 3.441 3.960 0.107 0.000 0.322 120 G HA3 -0.583 3.422 3.960 0.075 0.000 0.322 120 G C -0.050 174.974 174.900 0.208 0.000 1.370 120 G CA 2.053 47.235 45.100 0.137 0.000 0.963 120 G HN 0.267 8.542 8.290 0.147 0.103 0.797 121 N N 2.949 121.716 118.700 0.112 0.000 2.109 121 N HA -0.100 4.692 4.740 0.088 0.000 0.188 121 N C 0.011 175.547 175.510 0.044 0.000 1.034 121 N CA 1.711 54.807 53.050 0.076 0.000 0.846 121 N CB 0.348 38.859 38.487 0.041 0.000 1.010 121 N HN -0.067 8.316 8.380 0.080 0.045 0.425 122 K N 0.301 120.718 120.400 0.029 0.000 2.230 122 K HA 0.014 4.312 4.320 -0.036 0.000 0.253 122 K C 0.125 176.686 176.600 -0.065 0.000 1.008 122 K CA 0.129 56.407 56.287 -0.016 0.000 0.910 122 K CB 1.120 33.616 32.500 -0.007 0.000 0.994 122 K HN -0.507 7.770 8.250 0.044 0.000 0.495 123 G N -1.758 106.956 108.800 -0.144 0.000 2.528 123 G HA2 0.192 3.827 3.960 -0.541 0.000 0.289 123 G HA3 0.192 4.067 3.960 -0.279 -0.083 0.289 123 G C 0.809 175.637 174.900 -0.121 0.000 1.192 123 G CA -0.965 43.972 45.100 -0.272 0.000 0.921 123 G HN 0.024 8.249 8.290 -0.108 0.000 0.512 124 L N -3.705 117.458 121.223 -0.101 0.000 2.478 124 L HA 0.047 4.394 4.340 0.011 0.000 0.223 124 L C 0.718 177.565 176.870 -0.038 0.000 1.140 124 L CA 1.981 56.814 54.840 -0.012 0.000 0.842 124 L CB 0.037 42.127 42.059 0.052 0.000 0.953 124 L HN 0.182 8.284 8.230 -0.213 0.000 0.452 125 E N -1.864 118.293 120.200 -0.072 0.000 2.338 125 E HA -0.239 4.083 4.350 -0.048 0.000 0.197 125 E C 0.960 177.534 176.600 -0.043 0.000 1.007 125 E CA 1.814 58.178 56.400 -0.059 0.000 0.849 125 E CB -2.021 27.634 29.700 -0.075 0.000 0.774 125 E HN 0.334 8.566 8.360 -0.114 0.060 0.506 126 T N -2.436 112.094 114.554 -0.040 0.000 3.007 126 T HA -0.262 4.071 4.350 -0.029 0.000 0.270 126 T C 0.667 175.355 174.700 -0.020 0.000 1.107 126 T CA 1.705 63.788 62.100 -0.029 0.000 1.118 126 T CB -0.201 68.651 68.868 -0.027 0.000 0.889 126 T HN -0.323 7.859 8.240 -0.046 0.030 0.506 127 V N 0.680 120.583 119.914 -0.018 0.000 2.485 127 V HA -0.011 4.102 4.120 -0.011 0.000 0.287 127 V C -0.620 175.467 176.094 -0.011 0.000 1.022 127 V CA 0.140 62.433 62.300 -0.012 0.000 1.067 127 V CB 0.003 31.822 31.823 -0.006 0.000 0.967 127 V HN -0.630 7.500 8.190 -0.020 0.048 0.479 128 T N 9.774 124.323 114.554 -0.008 0.000 2.930 128 T HA -0.046 4.437 4.350 -0.007 -0.138 0.306 128 T C -0.290 174.407 174.700 -0.006 0.000 1.045 128 T CA 2.009 64.105 62.100 -0.006 0.000 1.134 128 T CB 0.678 69.545 68.868 -0.002 0.000 0.961 128 T HN 0.176 8.411 8.240 -0.008 0.000 0.545 129 M N 4.546 124.142 119.600 -0.007 0.000 2.383 129 M HA 0.196 4.682 4.480 0.009 0.000 0.325 129 M C -1.452 174.847 176.300 -0.001 0.000 1.092 129 M CA -0.143 55.156 55.300 -0.001 0.000 0.961 129 M CB 3.390 35.980 32.600 -0.016 0.000 1.672 129 M HN 0.771 9.055 8.290 -0.009 0.000 0.438 130 G N -0.968 107.840 108.800 0.013 0.000 2.328 130 G HA2 0.261 4.195 3.960 -0.043 0.000 0.295 130 G HA3 0.261 4.170 3.960 -0.085 0.000 0.295 130 G C -1.076 173.750 174.900 -0.124 0.000 1.413 130 G CA 0.529 45.597 45.100 -0.054 0.000 0.817 130 G HN 0.149 8.465 8.290 0.044 0.000 0.546 131 R N -0.165 120.052 120.500 -0.471 0.000 2.103 131 R HA -0.357 3.546 4.340 -0.729 0.000 0.242 131 R C 1.596 177.768 176.300 -0.213 0.000 1.142 131 R CA 3.919 59.636 56.100 -0.638 0.000 0.960 131 R CB -0.378 29.388 30.300 -0.890 0.000 0.858 131 R HN -0.119 7.825 8.270 -0.544 0.000 0.439 132 A N -1.199 121.520 122.820 -0.169 0.000 1.877 132 A HA -0.287 3.980 4.320 -0.088 0.000 0.216 132 A C 2.003 179.561 177.584 -0.044 0.000 1.186 132 A CA 2.945 54.925 52.037 -0.095 0.000 0.620 132 A CB -1.171 17.771 19.000 -0.098 0.000 0.822 132 A HN 0.590 8.618 8.150 -0.204 0.000 0.443 133 E N -1.896 118.286 120.200 -0.031 0.000 2.152 133 E HA -0.219 4.127 4.350 -0.007 0.000 0.192 133 E C 2.723 179.343 176.600 0.033 0.000 0.983 133 E CA 2.685 59.085 56.400 -0.001 0.000 0.818 133 E CB -0.540 29.159 29.700 -0.002 0.000 0.758 133 E HN 0.243 8.572 8.360 -0.051 0.000 0.467 134 M N 0.294 119.939 119.600 0.074 0.000 2.067 134 M HA -0.421 4.123 4.480 0.107 0.000 0.260 134 M C 2.196 178.552 176.300 0.094 0.000 1.069 134 M CA 5.135 60.510 55.300 0.126 0.000 1.117 134 M CB -0.077 32.685 32.600 0.271 0.000 1.334 134 M HN 0.377 8.706 8.290 0.065 0.000 0.407 135 T N 1.634 116.231 114.554 0.072 0.000 2.652 135 T HA -0.428 3.963 4.350 0.069 0.000 0.267 135 T C 1.918 176.638 174.700 0.033 0.000 1.039 135 T CA 5.135 67.265 62.100 0.050 0.000 1.153 135 T CB -0.587 68.294 68.868 0.022 0.000 0.863 135 T HN 0.127 8.403 8.240 0.061 0.000 0.428 136 R N 1.103 121.612 120.500 0.016 0.000 2.094 136 R HA -0.365 4.108 4.340 0.004 -0.131 0.239 136 R C 2.340 178.649 176.300 0.015 0.000 1.137 136 R CA 3.757 59.861 56.100 0.007 0.000 0.943 136 R CB -0.200 30.097 30.300 -0.005 0.000 0.850 136 R HN 0.305 8.472 8.270 0.007 0.106 0.433 137 A N -0.578 122.256 122.820 0.024 0.000 1.883 137 A HA -0.351 3.971 4.320 0.003 0.000 0.217 137 A C 1.955 179.564 177.584 0.042 0.000 1.186 137 A CA 3.156 55.208 52.037 0.024 0.000 0.624 137 A CB -0.582 18.440 19.000 0.036 0.000 0.822 137 A HN 0.124 8.180 8.150 0.028 0.111 0.444 138 V N -1.270 118.685 119.914 0.067 0.000 2.287 138 V HA -0.640 3.557 4.120 0.128 0.000 0.248 138 V C 1.974 178.111 176.094 0.072 0.000 1.053 138 V CA 4.843 67.197 62.300 0.091 0.000 1.027 138 V CB -0.411 31.465 31.823 0.089 0.000 0.646 138 V HN 0.229 8.459 8.190 0.067 0.000 0.447 139 N N 0.538 119.265 118.700 0.045 0.000 2.069 139 N HA -0.365 4.397 4.740 0.035 0.000 0.191 139 N C 2.071 177.595 175.510 0.023 0.000 1.031 139 N CA 3.405 56.473 53.050 0.031 0.000 0.852 139 N CB -0.152 38.345 38.487 0.017 0.000 1.018 139 N HN 0.117 8.521 8.380 0.041 0.000 0.423 140 D N -0.812 119.593 120.400 0.009 0.000 2.219 140 D HA -0.156 4.475 4.640 -0.015 0.000 0.205 140 D C 1.508 177.786 176.300 -0.037 0.000 0.970 140 D CA 2.613 56.603 54.000 -0.016 0.000 0.851 140 D CB 0.141 40.925 40.800 -0.027 0.000 0.943 140 D HN 0.002 8.270 8.370 0.011 0.108 0.488 141 L N -2.077 119.137 121.223 -0.015 0.000 2.202 141 L HA -0.041 4.200 4.340 -0.164 0.000 0.205 141 L C 2.076 179.006 176.870 0.099 0.000 1.083 141 L CA 1.758 56.579 54.840 -0.031 0.000 0.790 141 L CB 0.193 42.255 42.059 0.004 0.000 0.942 141 L HN -0.272 7.947 8.230 0.019 0.022 0.452 142 A N 0.070 122.962 122.820 0.120 0.000 1.969 142 A HA -0.230 4.186 4.320 0.160 0.000 0.218 142 A C 0.652 178.278 177.584 0.069 0.000 1.169 142 A CA 2.735 54.839 52.037 0.111 0.000 0.635 142 A CB -0.131 18.912 19.000 0.071 0.000 0.810 142 A HN 0.092 8.220 8.150 0.098 0.081 0.445 143 K N -4.815 115.607 120.400 0.038 0.000 2.515 143 K HA -0.189 4.149 4.320 0.029 0.000 0.196 143 K C 0.420 177.036 176.600 0.027 0.000 1.038 143 K CA 0.998 57.301 56.287 0.025 0.000 0.967 143 K CB -0.459 32.047 32.500 0.011 0.000 0.780 143 K HN -0.251 8.018 8.250 0.031 0.000 0.483 144 K N 0.325 120.738 120.400 0.022 0.000 2.380 144 K HA -0.201 4.119 4.320 -0.000 0.000 0.267 144 K C -0.651 176.013 176.600 0.106 0.000 0.990 144 K CA 1.217 57.515 56.287 0.018 0.000 0.946 144 K CB 0.584 33.026 32.500 -0.096 0.000 0.937 144 K HN -0.776 7.310 8.250 0.027 0.180 0.491 145 K N 0.289 120.775 120.400 0.145 0.000 2.283 145 K HA 0.139 4.577 4.320 0.197 0.000 0.257 145 K C -0.098 176.684 176.600 0.303 0.000 1.066 145 K CA -1.052 55.347 56.287 0.186 0.000 0.891 145 K CB 3.048 35.610 32.500 0.104 0.000 1.438 145 K HN -0.088 8.237 8.250 0.124 0.000 0.464 146 K N -1.958 118.572 120.400 0.217 0.000 2.160 146 K HA -0.304 4.145 4.320 0.216 0.000 0.206 146 K C -0.270 176.474 176.600 0.239 0.000 1.047 146 K CA 2.297 58.695 56.287 0.186 0.000 0.930 146 K CB 0.057 32.574 32.500 0.028 0.000 0.720 146 K HN 0.156 8.487 8.250 0.134 0.000 0.450 147 M N -1.946 117.758 119.600 0.173 0.000 2.464 147 M HA 0.139 4.721 4.480 0.170 0.000 0.308 147 M C -1.768 174.598 176.300 0.108 0.000 1.127 147 M CA -1.300 54.084 55.300 0.140 0.000 0.913 147 M CB 1.631 34.286 32.600 0.093 0.000 1.689 147 M HN -0.641 7.707 8.290 0.142 0.028 0.445 148 L N 2.760 124.033 121.223 0.084 0.000 2.556 148 L HA 0.321 4.685 4.340 0.041 0.000 0.257 148 L C -0.284 176.606 176.870 0.034 0.000 0.955 148 L CA -0.272 54.594 54.840 0.043 0.000 0.850 148 L CB 2.781 44.847 42.059 0.012 0.000 1.398 148 L HN -0.090 8.196 8.230 0.094 0.000 0.412 149 E N 1.669 121.882 120.200 0.023 0.000 2.033 149 E HA 0.115 4.485 4.350 0.034 0.000 0.189 149 E C -0.718 175.890 176.600 0.013 0.000 0.979 149 E CA 2.088 58.501 56.400 0.022 0.000 0.802 149 E CB -1.537 28.174 29.700 0.019 0.000 0.763 149 E HN 0.276 8.647 8.360 0.019 0.000 0.449 150 P HA 0.280 4.694 4.420 -0.010 0.000 0.225 150 P C -0.965 176.315 177.300 -0.034 0.000 1.768 150 P CA -0.258 62.831 63.100 -0.018 0.000 0.943 150 P CB -1.929 29.755 31.700 -0.026 0.000 1.936 151 Q N 1.477 121.272 119.800 -0.008 0.000 2.030 151 Q HA -0.380 3.929 4.340 -0.051 0.000 0.204 151 Q C 1.868 177.843 176.000 -0.041 0.000 0.986 151 Q CA 3.023 58.825 55.803 -0.002 0.000 0.843 151 Q CB -1.752 27.047 28.738 0.102 0.000 0.904 151 Q HN 0.292 8.499 8.270 0.016 0.073 0.420 152 A N -0.470 122.316 122.820 -0.057 0.000 1.972 152 A HA -0.290 3.894 4.320 -0.226 0.000 0.219 152 A C 1.866 179.383 177.584 -0.111 0.000 1.169 152 A CA 2.609 54.565 52.037 -0.135 0.000 0.635 152 A CB -1.111 17.813 19.000 -0.126 0.000 0.810 152 A HN 0.403 8.541 8.150 -0.021 0.000 0.446 153 D N -2.090 118.263 120.400 -0.079 0.000 2.091 153 D HA -0.195 4.407 4.640 -0.063 0.000 0.199 153 D C 2.241 178.491 176.300 -0.084 0.000 0.980 153 D CA 4.144 58.103 54.000 -0.068 0.000 0.831 153 D CB -0.097 40.672 40.800 -0.050 0.000 0.987 153 D HN 0.108 8.340 8.370 -0.063 0.100 0.460 154 T N 0.020 114.511 114.554 -0.105 0.000 2.788 154 T HA -0.282 4.159 4.350 -0.123 -0.165 0.268 154 T C 1.856 176.456 174.700 -0.168 0.000 1.044 154 T CA 3.140 65.152 62.100 -0.147 0.000 1.139 154 T CB -0.035 68.714 68.868 -0.198 0.000 0.867 154 T HN 0.094 8.276 8.240 -0.096 0.000 0.454 155 K N 1.495 121.801 120.400 -0.156 0.000 2.026 155 K HA -0.338 3.883 4.320 -0.164 0.000 0.208 155 K C 2.067 178.613 176.600 -0.090 0.000 1.048 155 K CA 2.711 58.915 56.287 -0.139 0.000 0.929 155 K CB -0.277 32.130 32.500 -0.155 0.000 0.713 155 K HN -0.013 8.150 8.250 -0.144 0.002 0.439 156 S N -0.477 115.173 115.700 -0.082 0.000 2.382 156 S HA -0.322 4.129 4.470 -0.031 0.000 0.228 156 S C 2.238 176.821 174.600 -0.030 0.000 1.027 156 S CA 3.260 61.432 58.200 -0.046 0.000 0.991 156 S CB -0.291 62.882 63.200 -0.046 0.000 0.823 156 S HN 0.008 8.260 8.310 -0.097 0.000 0.469 157 K N 2.343 122.716 120.400 -0.044 0.000 2.032 157 K HA -0.203 4.110 4.320 -0.012 0.000 0.209 157 K C 2.497 179.087 176.600 -0.017 0.000 1.048 157 K CA 2.233 58.502 56.287 -0.029 0.000 0.927 157 K CB -0.515 31.960 32.500 -0.042 0.000 0.712 157 K HN -0.303 7.910 8.250 -0.061 0.000 0.441 158 L N -3.093 118.102 121.223 -0.047 0.000 2.201 158 L HA -0.126 4.224 4.340 0.016 0.000 0.212 158 L C 1.720 178.626 176.870 0.060 0.000 1.105 158 L CA 3.107 57.940 54.840 -0.012 0.000 0.775 158 L CB -1.079 40.913 42.059 -0.112 0.000 0.913 158 L HN -0.208 7.967 8.230 -0.092 0.000 0.440 159 V N 1.767 121.714 119.914 0.054 0.000 2.343 159 V HA -0.584 3.602 4.120 0.110 0.000 0.247 159 V C 1.628 177.757 176.094 0.058 0.000 1.051 159 V CA 5.065 67.410 62.300 0.075 0.000 1.036 159 V CB -0.798 31.063 31.823 0.063 0.000 0.654 159 V HN 0.057 8.176 8.190 0.020 0.083 0.451 160 K N -0.395 120.029 120.400 0.040 0.000 2.097 160 K HA -0.285 4.053 4.320 0.031 0.000 0.205 160 K C 2.080 178.712 176.600 0.053 0.000 1.050 160 K CA 3.329 59.638 56.287 0.036 0.000 0.938 160 K CB -0.691 31.823 32.500 0.023 0.000 0.718 160 K HN -0.585 7.682 8.250 0.028 0.000 0.442 161 L N -0.141 121.123 121.223 0.068 0.000 2.017 161 L HA -0.294 4.103 4.340 0.095 0.000 0.208 161 L C 2.315 179.249 176.870 0.106 0.000 1.073 161 L CA 2.960 57.856 54.840 0.095 0.000 0.745 161 L CB -0.431 41.695 42.059 0.112 0.000 0.894 161 L HN -0.475 7.790 8.230 0.059 0.000 0.432 162 V N -0.589 119.386 119.914 0.101 0.000 2.343 162 V HA -0.439 3.740 4.120 0.098 0.000 0.247 162 V C 1.544 177.679 176.094 0.068 0.000 1.051 162 V CA 4.144 66.496 62.300 0.086 0.000 1.036 162 V CB -0.010 31.853 31.823 0.067 0.000 0.654 162 V HN 0.153 8.405 8.190 0.104 0.000 0.451 163 V N -0.150 119.797 119.914 0.054 0.000 2.427 163 V HA -0.482 3.651 4.120 0.022 0.000 0.248 163 V C 1.239 177.357 176.094 0.040 0.000 1.051 163 V CA 4.007 66.325 62.300 0.030 0.000 1.048 163 V CB 0.201 32.029 31.823 0.009 0.000 0.666 163 V HN -0.364 7.860 8.190 0.056 0.000 0.456 164 M N -2.075 117.557 119.600 0.054 0.000 2.098 164 M HA -0.421 4.058 4.480 -0.002 0.000 0.262 164 M C 2.110 178.524 176.300 0.191 0.000 1.072 164 M CA 4.345 59.677 55.300 0.053 0.000 1.133 164 M CB 0.351 32.962 32.600 0.018 0.000 1.344 164 M HN -0.362 7.962 8.290 0.056 0.000 0.414 165 V N -1.557 118.489 119.914 0.219 0.000 2.278 165 V HA -0.408 3.999 4.120 0.478 0.000 0.238 165 V C 1.471 177.694 176.094 0.215 0.000 1.039 165 V CA 4.437 66.917 62.300 0.300 0.000 1.017 165 V CB -0.154 31.809 31.823 0.233 0.000 0.657 165 V HN 0.372 8.658 8.190 0.160 0.000 0.462 166 C N -0.507 118.872 119.300 0.133 0.000 2.462 166 C HA -0.411 4.084 4.460 0.058 0.000 0.278 166 C C 2.046 177.065 174.990 0.048 0.000 1.253 166 C CA 3.650 62.708 59.018 0.067 0.000 1.713 166 C CB -0.271 27.487 27.740 0.030 0.000 2.049 166 C HN -0.486 7.820 8.230 0.126 0.000 0.477 167 E N -0.531 119.714 120.200 0.075 0.000 2.153 167 E HA -0.291 4.130 4.350 0.119 0.000 0.194 167 E C 2.721 179.447 176.600 0.210 0.000 0.988 167 E CA 2.518 58.995 56.400 0.129 0.000 0.811 167 E CB -0.879 28.854 29.700 0.055 0.000 0.746 167 E HN -0.059 8.345 8.360 0.073 0.000 0.466 168 G N -1.446 107.459 108.800 0.174 0.000 2.469 168 G HA2 -0.211 4.024 3.960 0.215 0.000 0.220 168 G HA3 -0.211 4.021 3.960 0.255 -0.119 0.220 168 G C 1.060 176.040 174.900 0.134 0.000 1.136 168 G CA 1.733 46.954 45.100 0.202 0.000 0.759 168 G HN -0.197 8.183 8.290 0.157 0.004 0.562 169 L N -0.570 120.684 121.223 0.052 0.000 2.141 169 L HA -0.123 4.182 4.340 -0.057 0.000 0.209 169 L C 0.964 177.788 176.870 -0.077 0.000 1.094 169 L CA 1.973 56.786 54.840 -0.045 0.000 0.763 169 L CB -0.075 41.929 42.059 -0.091 0.000 0.908 169 L HN -0.728 7.429 8.230 0.065 0.112 0.437 170 R N -5.277 115.153 120.500 -0.117 0.000 2.254 170 R HA -0.010 4.172 4.340 -0.264 0.000 0.195 170 R C -0.168 175.912 176.300 -0.367 0.000 0.957 170 R CA 1.621 57.526 56.100 -0.326 0.000 1.024 170 R CB 1.226 31.065 30.300 -0.769 0.000 0.952 170 R HN -0.616 7.503 8.270 -0.036 0.129 0.484 171 F N -2.381 117.569 119.950 0.001 0.000 2.610 171 F HA 0.385 5.064 4.527 0.096 -0.095 0.355 171 F C -0.773 175.065 175.800 0.063 0.000 1.140 171 F CA -1.333 56.702 58.000 0.058 0.000 1.037 171 F CB 1.622 40.655 39.000 0.054 0.000 1.287 171 F HN 0.159 8.481 8.300 0.222 0.111 0.457 172 N N 6.049 124.867 118.700 0.196 0.000 2.192 172 N HA -0.346 4.478 4.740 0.139 0.000 0.188 172 N C 2.086 177.695 175.510 0.164 0.000 1.013 172 N CA 3.849 56.992 53.050 0.155 0.000 0.863 172 N CB -0.036 38.522 38.487 0.118 0.000 0.990 172 N HN 0.085 8.444 8.380 0.144 0.107 0.430 173 T N 1.552 116.228 114.554 0.203 0.000 2.622 173 T HA -0.345 4.073 4.350 0.113 0.000 0.266 173 T C 1.480 176.243 174.700 0.106 0.000 1.047 173 T CA 4.323 66.513 62.100 0.149 0.000 1.159 173 T CB -0.172 68.793 68.868 0.163 0.000 0.863 173 T HN 0.009 8.402 8.240 0.267 0.008 0.422 174 V N 0.831 120.814 119.914 0.116 0.000 2.548 174 V HA -0.320 3.808 4.120 0.013 0.000 0.249 174 V C 0.642 176.769 176.094 0.054 0.000 1.055 174 V CA 2.861 65.191 62.300 0.050 0.000 1.065 174 V CB -0.252 31.578 31.823 0.011 0.000 0.681 174 V HN -0.089 8.216 8.190 0.191 0.000 0.462 175 S N 1.180 116.954 115.700 0.124 0.000 2.359 175 S HA -0.460 4.129 4.470 0.197 0.000 0.222 175 S C 1.844 176.499 174.600 0.092 0.000 1.038 175 S CA 3.891 62.184 58.200 0.155 0.000 1.051 175 S CB -0.158 63.157 63.200 0.190 0.000 0.944 175 S HN -0.030 8.380 8.310 0.167 0.000 0.433 176 R N -1.029 119.522 120.500 0.085 0.000 2.115 176 R HA -0.232 4.154 4.340 0.077 0.000 0.230 176 R C 2.317 178.632 176.300 0.025 0.000 1.111 176 R CA 3.028 59.166 56.100 0.063 0.000 0.976 176 R CB -0.535 29.805 30.300 0.067 0.000 0.870 176 R HN 0.222 8.553 8.270 0.101 0.000 0.445 177 T N 3.302 117.861 114.554 0.008 0.000 2.652 177 T HA -0.279 4.067 4.350 -0.006 0.000 0.267 177 T C 1.947 176.610 174.700 -0.061 0.000 1.039 177 T CA 5.269 67.358 62.100 -0.018 0.000 1.153 177 T CB -0.348 68.508 68.868 -0.019 0.000 0.863 177 T HN -0.107 8.133 8.240 0.025 0.015 0.428 178 V N 1.310 121.141 119.914 -0.138 0.000 2.427 178 V HA -0.478 3.518 4.120 -0.206 0.000 0.248 178 V C 1.333 177.275 176.094 -0.254 0.000 1.051 178 V CA 4.392 66.509 62.300 -0.306 0.000 1.048 178 V CB -0.370 31.059 31.823 -0.656 0.000 0.666 178 V HN 0.142 8.261 8.190 -0.118 0.000 0.456 179 D N -0.015 120.316 120.400 -0.116 0.000 2.104 179 D HA -0.352 4.346 4.640 0.096 0.000 0.194 179 D C 1.930 178.266 176.300 0.061 0.000 0.994 179 D CA 3.820 57.846 54.000 0.043 0.000 0.830 179 D CB 0.036 40.902 40.800 0.110 0.000 0.959 179 D HN 0.265 8.411 8.370 -0.085 0.173 0.452 180 A N -2.605 120.235 122.820 0.032 0.000 1.969 180 A HA -0.055 4.290 4.320 0.043 0.000 0.218 180 A C 1.642 179.242 177.584 0.026 0.000 1.169 180 A CA 2.360 54.416 52.037 0.032 0.000 0.635 180 A CB -0.267 18.745 19.000 0.020 0.000 0.810 180 A HN -0.343 7.817 8.150 0.017 0.000 0.445 181 G N -3.335 105.473 108.800 0.012 0.000 2.459 181 G HA2 0.023 3.984 3.960 0.002 0.000 0.213 181 G HA3 0.023 3.977 3.960 -0.010 0.000 0.213 181 G C 0.898 175.809 174.900 0.018 0.000 1.155 181 G CA 0.260 45.363 45.100 0.005 0.000 0.811 181 G HN -0.482 7.715 8.290 -0.008 0.087 0.534 182 F N 3.180 123.056 119.950 -0.124 0.000 2.095 182 F HA -0.389 4.070 4.527 -0.113 0.000 0.298 182 F C 1.270 177.032 175.800 -0.063 0.000 1.104 182 F CA 3.809 61.741 58.000 -0.114 0.000 1.232 182 F CB 0.456 39.364 39.000 -0.153 0.000 0.987 182 F HN 0.495 8.754 8.300 0.118 0.111 0.475 183 N N -2.405 116.294 118.700 -0.003 0.000 2.459 183 N HA -0.249 4.378 4.740 -0.188 0.000 0.181 183 N C 0.075 175.522 175.510 -0.105 0.000 1.046 183 N CA 0.708 53.711 53.050 -0.078 0.000 0.904 183 N CB 0.236 38.745 38.487 0.038 0.000 0.964 183 N HN -0.157 8.315 8.380 0.153 0.000 0.444 184 S N -0.980 114.675 115.700 -0.076 0.000 2.584 184 S HA -0.022 4.431 4.470 -0.028 0.000 0.270 184 S C 0.622 175.167 174.600 -0.091 0.000 1.346 184 S CA -0.388 57.784 58.200 -0.048 0.000 1.018 184 S CB 0.552 63.751 63.200 -0.002 0.000 0.899 184 S HN -0.649 7.450 8.310 -0.058 0.176 0.542 185 Q N 5.497 125.258 119.800 -0.065 0.000 2.187 185 Q HA -0.115 4.133 4.340 -0.153 0.000 0.199 185 Q C 0.670 176.573 176.000 -0.161 0.000 0.957 185 Q CA 2.050 57.775 55.803 -0.129 0.000 0.857 185 Q CB -0.462 28.191 28.738 -0.141 0.000 0.929 185 Q HN 0.511 8.773 8.270 -0.014 0.000 0.453 186 H N -0.567 118.465 119.070 -0.064 0.000 2.535 186 H HA 0.034 4.559 4.556 -0.050 0.000 0.273 186 H C 0.523 175.818 175.328 -0.056 0.000 0.983 186 H CA 0.790 56.806 56.048 -0.053 0.000 1.238 186 H CB 0.788 30.525 29.762 -0.041 0.000 1.412 186 H HN -0.475 7.883 8.280 0.130 0.000 0.562 187 G N -1.146 107.672 108.800 0.031 0.000 2.645 187 G HA2 -0.393 3.738 3.960 -0.031 0.000 0.239 187 G HA3 -0.393 3.639 3.960 -0.009 -0.078 0.239 187 G C -2.221 172.689 174.900 0.018 0.000 1.331 187 G CA -0.145 44.955 45.100 -0.001 0.000 0.890 187 G HN -0.747 7.517 8.290 0.017 0.035 0.572 188 V N -2.538 117.376 119.914 0.001 0.000 3.078 188 V HA 0.441 4.560 4.120 -0.003 0.000 0.311 188 V C -2.356 173.732 176.094 -0.011 0.000 1.138 188 V CA -1.669 60.627 62.300 -0.006 0.000 1.007 188 V CB 4.112 35.928 31.823 -0.013 0.000 1.045 188 V HN 0.515 8.702 8.190 -0.006 0.000 0.432 189 T N 6.748 121.292 114.554 -0.015 0.000 2.812 189 T HA 0.380 4.719 4.350 -0.018 0.000 0.282 189 T C -0.754 173.932 174.700 -0.024 0.000 0.990 189 T CA -0.790 61.298 62.100 -0.019 0.000 0.960 189 T CB 0.586 69.443 68.868 -0.018 0.000 0.948 189 T HN -0.070 8.160 8.240 -0.017 0.000 0.438 190 L N 2.912 124.118 121.223 -0.028 0.000 2.505 190 L HA 0.325 4.648 4.340 -0.029 0.000 0.226 190 L C -1.484 175.365 176.870 -0.035 0.000 1.211 190 L CA -0.553 54.268 54.840 -0.032 0.000 0.828 190 L CB 0.884 42.920 42.059 -0.038 0.000 1.331 190 L HN 0.209 8.422 8.230 -0.028 0.000 0.513 191 T N -3.686 110.845 114.554 -0.038 0.000 2.916 191 T HA 0.208 4.532 4.350 -0.043 0.000 0.292 191 T C 1.009 175.677 174.700 -0.053 0.000 1.064 191 T CA -2.119 59.956 62.100 -0.041 0.000 1.011 191 T CB 2.481 71.331 68.868 -0.029 0.000 1.152 191 T HN -0.460 7.757 8.240 -0.038 0.000 0.510 192 V N 1.323 121.200 119.914 -0.061 0.000 2.332 192 V HA -0.328 3.726 4.120 -0.110 0.000 0.248 192 V C 1.103 177.160 176.094 -0.062 0.000 1.055 192 V CA 3.787 66.038 62.300 -0.081 0.000 1.038 192 V CB -0.273 31.500 31.823 -0.083 0.000 0.651 192 V HN 0.516 8.674 8.190 -0.054 0.000 0.450 193 T N 1.729 116.260 114.554 -0.038 0.000 2.652 193 T HA -0.444 3.900 4.350 -0.011 0.000 0.267 193 T C 2.001 176.685 174.700 -0.026 0.000 1.039 193 T CA 5.011 67.101 62.100 -0.017 0.000 1.153 193 T CB -0.650 68.217 68.868 -0.002 0.000 0.863 193 T HN -0.155 8.065 8.240 -0.033 0.000 0.428 194 Q N 1.819 121.596 119.800 -0.039 0.000 2.020 194 Q HA -0.327 4.145 4.340 -0.072 -0.175 0.202 194 Q C 2.731 178.671 176.000 -0.100 0.000 0.982 194 Q CA 3.019 58.781 55.803 -0.067 0.000 0.838 194 Q CB -0.179 28.527 28.738 -0.054 0.000 0.899 194 Q HN -0.407 7.842 8.270 -0.034 0.000 0.423 195 G N -1.053 107.700 108.800 -0.079 0.000 2.491 195 G HA2 -0.390 3.529 3.960 -0.068 0.000 0.218 195 G HA3 -0.390 3.525 3.960 -0.075 0.000 0.218 195 G C 1.272 176.143 174.900 -0.048 0.000 1.180 195 G CA 2.113 47.170 45.100 -0.071 0.000 0.774 195 G HN 0.166 8.414 8.290 -0.069 0.000 0.562 196 K N 1.181 121.558 120.400 -0.039 0.000 2.062 196 K HA -0.266 4.105 4.320 0.085 0.000 0.205 196 K C 2.333 178.939 176.600 0.010 0.000 1.051 196 K CA 3.244 59.544 56.287 0.021 0.000 0.941 196 K CB 0.101 32.614 32.500 0.021 0.000 0.719 196 K HN -0.138 8.077 8.250 -0.058 0.000 0.440 197 Q N -1.055 118.729 119.800 -0.027 0.000 2.119 197 Q HA -0.282 4.099 4.340 0.069 0.000 0.201 197 Q C 2.246 178.163 176.000 -0.137 0.000 0.972 197 Q CA 2.912 58.712 55.803 -0.004 0.000 0.847 197 Q CB -0.082 28.679 28.738 0.038 0.000 0.903 197 Q HN -0.363 7.886 8.270 -0.034 0.000 0.433 198 V N -3.712 115.940 119.914 -0.436 0.000 2.270 198 V HA -0.411 2.302 4.120 -2.345 0.000 0.245 198 V C 1.904 177.832 176.094 -0.276 0.000 1.043 198 V CA 3.116 64.813 62.300 -1.005 0.000 1.014 198 V CB -0.157 31.101 31.823 -0.941 0.000 0.645 198 V HN -0.338 7.661 8.190 -0.318 0.000 0.447 199 Q N -1.545 118.211 119.800 -0.072 0.000 2.224 199 Q HA -0.245 4.290 4.340 0.091 -0.141 0.203 199 Q C 2.034 178.127 176.000 0.156 0.000 0.970 199 Q CA 2.077 57.923 55.803 0.072 0.000 0.865 199 Q CB -0.106 28.678 28.738 0.078 0.000 0.922 199 Q HN -0.610 7.601 8.270 -0.099 0.000 0.445 200 K N 1.901 122.399 120.400 0.163 0.000 3.165 200 K HA 0.085 4.505 4.320 0.167 0.000 0.259 200 K C -0.575 176.216 176.600 0.318 0.000 1.282 200 K CA -2.481 53.920 56.287 0.190 0.000 1.259 200 K CB -1.770 30.807 32.500 0.128 0.000 1.546 200 K HN -0.480 7.817 8.250 0.110 0.019 0.384 201 W N 2.356 123.789 121.300 0.222 0.000 2.387 201 W HA -0.346 4.602 4.660 0.480 0.000 0.272 201 W C 0.615 177.222 176.519 0.147 0.000 1.224 201 W CA 4.172 61.700 57.345 0.306 0.000 1.210 201 W CB 0.025 29.689 29.460 0.339 0.000 1.125 201 W HN -0.537 7.873 8.180 0.534 0.090 0.572 202 D N -1.079 119.399 120.400 0.131 0.000 2.149 202 D HA -0.480 4.034 4.640 -0.211 0.000 0.198 202 D C 1.800 178.052 176.300 -0.079 0.000 0.990 202 D CA 3.908 57.868 54.000 -0.066 0.000 0.839 202 D CB -0.073 40.721 40.800 -0.010 0.000 0.948 202 D HN 0.200 8.694 8.370 0.248 0.024 0.460 203 R N -1.450 119.059 120.500 0.016 0.000 2.096 203 R HA -0.266 4.063 4.340 -0.018 0.000 0.235 203 R C 2.447 178.754 176.300 0.011 0.000 1.127 203 R CA 3.188 59.299 56.100 0.017 0.000 0.968 203 R CB -0.170 30.169 30.300 0.066 0.000 0.861 203 R HN -0.379 7.823 8.270 0.084 0.119 0.440 204 I N -0.272 120.329 120.570 0.052 0.000 2.142 204 I HA -0.411 3.837 4.170 0.131 0.000 0.240 204 I C 1.543 177.597 176.117 -0.105 0.000 1.078 204 I CA 3.484 64.813 61.300 0.048 0.000 1.343 204 I CB -0.092 38.001 38.000 0.155 0.000 1.046 204 I HN -0.566 7.615 8.210 0.109 0.095 0.405 205 S N -0.861 114.639 115.700 -0.332 0.000 2.423 205 S HA -0.320 3.945 4.470 -0.342 0.000 0.231 205 S C 1.795 176.285 174.600 -0.183 0.000 1.014 205 S CA 4.135 62.103 58.200 -0.386 0.000 0.965 205 S CB -0.220 62.560 63.200 -0.700 0.000 0.785 205 S HN 0.249 8.289 8.310 -0.450 0.000 0.495 206 K N 0.641 120.965 120.400 -0.127 0.000 2.076 206 K HA -0.221 4.089 4.320 -0.017 0.000 0.204 206 K C 1.405 177.993 176.600 -0.021 0.000 1.051 206 K CA 2.627 58.884 56.287 -0.051 0.000 0.949 206 K CB -0.661 31.799 32.500 -0.066 0.000 0.726 206 K HN -0.016 8.138 8.250 -0.143 0.010 0.443 207 A N 0.140 122.915 122.820 -0.075 0.000 1.877 207 A HA -0.355 3.739 4.320 -0.377 0.000 0.216 207 A C 1.585 179.181 177.584 0.020 0.000 1.186 207 A CA 3.116 55.031 52.037 -0.202 0.000 0.620 207 A CB -0.730 18.146 19.000 -0.207 0.000 0.822 207 A HN -0.217 7.828 8.150 -0.066 0.066 0.443 208 A N -2.682 120.268 122.820 0.217 0.000 1.908 208 A HA -0.329 4.321 4.320 0.549 0.000 0.218 208 A C 0.520 178.243 177.584 0.231 0.000 1.181 208 A CA 2.976 55.204 52.037 0.318 0.000 0.627 208 A CB -0.515 18.597 19.000 0.186 0.000 0.818 208 A HN 0.163 8.395 8.150 0.137 0.000 0.445 209 F N -2.257 117.688 119.950 -0.008 0.000 2.163 209 F HA -0.317 4.161 4.527 -0.081 0.000 0.297 209 F C 2.300 178.100 175.800 -0.000 0.000 1.094 209 F CA 2.815 60.778 58.000 -0.062 0.000 1.290 209 F CB 0.627 39.537 39.000 -0.150 0.000 1.017 209 F HN -0.866 7.561 8.300 0.212 0.000 0.483 210 E N 1.019 121.168 120.200 -0.085 0.000 2.153 210 E HA -0.347 3.855 4.350 -0.247 0.000 0.194 210 E C 2.341 178.873 176.600 -0.113 0.000 0.988 210 E CA 3.173 59.462 56.400 -0.185 0.000 0.811 210 E CB -0.100 29.480 29.700 -0.199 0.000 0.746 210 E HN 0.124 8.512 8.360 0.047 0.000 0.466 211 W N -2.092 119.173 121.300 -0.058 0.000 2.961 211 W HA 0.129 4.935 4.660 0.005 -0.144 0.240 211 W C 1.132 177.622 176.519 -0.048 0.000 1.305 211 W CA 1.073 58.403 57.345 -0.024 0.000 1.465 211 W CB -0.956 28.505 29.460 0.002 0.000 1.135 211 W HN 0.313 8.553 8.180 0.101 0.000 0.688 212 A N 0.735 123.587 122.820 0.053 0.000 1.832 212 A HA -0.184 4.406 4.320 0.091 -0.216 0.214 212 A C 2.446 180.021 177.584 -0.015 0.000 1.200 212 A CA 2.652 54.691 52.037 0.004 0.000 0.610 212 A CB -0.511 18.420 19.000 -0.115 0.000 0.842 212 A HN -0.126 7.759 8.150 -0.088 0.212 0.444 213 D N -1.818 118.520 120.400 -0.103 0.000 2.234 213 D HA -0.101 4.468 4.640 -0.119 0.000 0.205 213 D C 0.327 176.493 176.300 -0.224 0.000 0.962 213 D CA 1.956 55.867 54.000 -0.148 0.000 0.855 213 D CB 0.717 41.407 40.800 -0.183 0.000 0.951 213 D HN 0.167 8.413 8.370 -0.206 0.000 0.500 214 H N -0.878 118.192 119.070 0.001 0.000 2.691 214 H HA 0.348 4.921 4.556 0.029 0.000 0.281 214 H C -1.224 174.172 175.328 0.113 0.000 1.121 214 H CA -3.218 52.855 56.048 0.043 0.000 1.254 214 H CB 0.749 30.527 29.762 0.028 0.000 1.390 214 H HN -0.594 7.732 8.280 0.122 0.026 0.491 215 P HA 0.121 4.741 4.420 0.106 -0.136 0.233 215 P C 0.001 177.361 177.300 0.100 0.000 1.167 215 P CA 1.127 64.286 63.100 0.099 0.000 0.770 215 P CB 0.676 32.394 31.700 0.030 0.000 0.837 216 T N -3.612 111.040 114.554 0.163 0.000 3.337 216 T HA 0.142 4.550 4.350 0.097 0.000 0.299 216 T C -0.315 174.513 174.700 0.213 0.000 0.998 216 T CA -2.040 60.144 62.100 0.139 0.000 0.948 216 T CB -0.129 68.786 68.868 0.078 0.000 1.170 216 T HN -0.504 7.802 8.240 0.194 0.050 0.508 217 A N 1.778 124.789 122.820 0.319 0.000 2.429 217 A HA 0.003 4.385 4.320 0.102 0.000 0.242 217 A C -1.635 176.138 177.584 0.314 0.000 1.088 217 A CA 0.895 53.065 52.037 0.222 0.000 0.784 217 A CB 0.946 20.007 19.000 0.102 0.000 1.038 217 A HN -0.614 7.788 8.150 0.421 0.000 0.501 218 V N -0.717 119.270 119.914 0.121 0.000 2.495 218 V HA 0.237 4.525 4.120 0.280 0.000 0.298 218 V C -1.296 174.759 176.094 -0.067 0.000 1.031 218 V CA -1.512 60.857 62.300 0.115 0.000 0.871 218 V CB 2.311 34.187 31.823 0.088 0.000 0.988 218 V HN 0.071 8.273 8.190 0.020 0.000 0.432 219 I N 8.308 128.793 120.570 -0.143 0.000 2.420 219 I HA 0.529 4.540 4.170 -0.265 0.000 0.282 219 I C -1.190 174.840 176.117 -0.145 0.000 1.019 219 I CA -3.702 57.419 61.300 -0.298 0.000 1.130 219 I CB 1.551 39.120 38.000 -0.717 0.000 1.262 219 I HN 0.169 8.377 8.210 -0.004 0.000 0.454 220 P HA -0.020 4.388 4.420 -0.020 0.000 0.220 220 P C 0.658 177.934 177.300 -0.041 0.000 1.148 220 P CA 1.776 64.848 63.100 -0.046 0.000 0.803 220 P CB 0.170 31.846 31.700 -0.041 0.000 0.782 221 D N -2.128 118.229 120.400 -0.071 0.000 2.123 221 D HA -0.242 4.382 4.640 -0.027 0.000 0.196 221 D C 2.024 178.314 176.300 -0.017 0.000 0.992 221 D CA 3.471 57.441 54.000 -0.049 0.000 0.833 221 D CB -0.488 40.266 40.800 -0.076 0.000 0.954 221 D HN 0.434 8.729 8.370 -0.105 0.012 0.455 222 M N -1.080 118.501 119.600 -0.031 0.000 2.534 222 M HA 0.063 4.594 4.480 0.085 0.000 0.263 222 M C 1.726 178.097 176.300 0.120 0.000 1.152 222 M CA 0.541 55.878 55.300 0.062 0.000 1.145 222 M CB 0.239 32.867 32.600 0.047 0.000 1.333 222 M HN -0.634 7.484 8.290 -0.106 0.108 0.477 223 Q N 0.931 120.785 119.800 0.090 0.000 2.234 223 Q HA -0.380 4.151 4.340 0.139 -0.108 0.206 223 Q C 2.141 178.184 176.000 0.071 0.000 0.980 223 Q CA 3.602 59.464 55.803 0.097 0.000 0.869 223 Q CB -0.229 28.551 28.738 0.069 0.000 0.912 223 Q HN 0.263 8.557 8.270 0.039 0.000 0.436 224 K N -0.340 120.092 120.400 0.053 0.000 2.152 224 K HA -0.243 4.098 4.320 0.035 0.000 0.206 224 K C 1.499 178.129 176.600 0.050 0.000 1.048 224 K CA 2.199 58.511 56.287 0.042 0.000 0.933 224 K CB -0.673 31.847 32.500 0.033 0.000 0.721 224 K HN -0.581 7.675 8.250 0.044 0.020 0.447 225 L N -2.880 118.385 121.223 0.070 0.000 2.591 225 L HA 0.129 4.501 4.340 0.054 0.000 0.228 225 L C 1.078 177.993 176.870 0.074 0.000 1.133 225 L CA -0.613 54.271 54.840 0.073 0.000 0.880 225 L CB -1.115 41.003 42.059 0.098 0.000 1.033 225 L HN -0.527 7.622 8.230 0.085 0.132 0.450 226 G N -0.850 107.995 108.800 0.074 0.000 2.179 226 G HA2 -0.414 3.583 3.960 0.061 0.000 0.260 226 G HA3 -0.414 3.580 3.960 0.057 0.000 0.260 226 G C -0.338 174.618 174.900 0.092 0.000 0.977 226 G CA 0.668 45.810 45.100 0.070 0.000 0.641 226 G HN 0.064 8.207 8.290 0.072 0.191 0.533 227 I N 2.320 122.971 120.570 0.135 0.000 2.257 227 I HA 0.012 4.253 4.170 0.118 0.000 0.290 227 I C -0.921 175.359 176.117 0.272 0.000 1.137 227 I CA -0.763 60.645 61.300 0.181 0.000 1.255 227 I CB -1.886 36.252 38.000 0.230 0.000 1.485 227 I HN -0.828 7.412 8.210 0.139 0.053 0.534 228 K N 1.936 122.450 120.400 0.190 0.000 2.400 228 K HA -0.078 4.430 4.320 0.314 0.000 0.194 228 K C -1.290 175.470 176.600 0.267 0.000 1.033 228 K CA 0.742 57.174 56.287 0.241 0.000 1.021 228 K CB 0.728 33.308 32.500 0.133 0.000 0.808 228 K HN -0.690 7.629 8.250 0.116 0.000 0.505 229 D N -1.416 118.982 120.400 -0.004 0.000 2.619 229 D HA 0.307 4.773 4.640 -0.290 0.000 0.241 229 D C 0.572 176.273 176.300 -0.997 0.000 1.087 229 D CA -0.987 52.801 54.000 -0.353 0.000 0.851 229 D CB 4.135 44.803 40.800 -0.219 0.000 1.474 229 D HN -0.555 7.756 8.370 -0.009 0.054 0.478 230 K N 2.437 121.886 120.400 -1.585 0.000 2.147 230 K HA -0.411 2.782 4.320 -1.879 0.000 0.205 230 K C 0.956 177.197 176.600 -0.597 0.000 1.049 230 K CA 3.289 58.727 56.287 -1.415 0.000 0.936 230 K CB -0.545 31.305 32.500 -1.084 0.000 0.722 230 K HN 0.567 7.954 8.250 -1.437 0.000 0.446 231 N N -0.317 118.123 118.700 -0.434 0.000 2.120 231 N HA -0.338 4.255 4.740 -0.246 0.000 0.188 231 N C 1.906 177.299 175.510 -0.194 0.000 1.024 231 N CA 3.217 56.109 53.050 -0.263 0.000 0.852 231 N CB -0.780 37.579 38.487 -0.213 0.000 1.003 231 N HN -0.001 8.086 8.380 -0.467 0.014 0.424 232 E N -0.257 119.826 120.200 -0.195 0.000 2.077 232 E HA -0.271 4.043 4.350 -0.060 0.000 0.193 232 E C 1.656 178.227 176.600 -0.048 0.000 0.989 232 E CA 2.645 58.989 56.400 -0.094 0.000 0.800 232 E CB -0.458 29.205 29.700 -0.061 0.000 0.746 232 E HN -0.649 7.463 8.360 -0.264 0.090 0.452 233 A N -1.160 121.598 122.820 -0.104 0.000 1.865 233 A HA -0.362 4.034 4.320 0.127 0.000 0.217 233 A C 1.617 179.228 177.584 0.044 0.000 1.191 233 A CA 3.256 55.310 52.037 0.029 0.000 0.623 233 A CB -0.620 18.421 19.000 0.070 0.000 0.826 233 A HN -0.242 7.739 8.150 -0.282 0.000 0.444 234 A N -2.008 120.806 122.820 -0.009 0.000 1.940 234 A HA -0.287 4.101 4.320 0.114 0.000 0.219 234 A C 1.542 179.166 177.584 0.067 0.000 1.176 234 A CA 2.998 55.069 52.037 0.057 0.000 0.631 234 A CB -0.545 18.469 19.000 0.022 0.000 0.814 234 A HN 0.217 8.198 8.150 -0.102 0.108 0.446 235 R N -5.414 115.101 120.500 0.025 0.000 2.299 235 R HA -0.106 4.268 4.340 0.057 0.000 0.197 235 R C 1.095 177.442 176.300 0.077 0.000 0.971 235 R CA 2.088 58.213 56.100 0.042 0.000 1.030 235 R CB -0.243 30.061 30.300 0.006 0.000 0.932 235 R HN -0.464 7.796 8.270 -0.017 0.000 0.477 236 I N -1.061 119.571 120.570 0.103 0.000 2.810 236 I HA 0.098 4.363 4.170 0.158 0.000 0.262 236 I C -0.339 175.901 176.117 0.206 0.000 1.131 236 I CA 2.527 63.927 61.300 0.167 0.000 1.453 236 I CB 1.682 39.794 38.000 0.187 0.000 1.161 236 I HN -0.212 7.872 8.210 0.088 0.178 0.444 237 V N -3.539 116.450 119.914 0.124 0.000 3.463 237 V HA 0.209 4.311 4.120 -0.147 -0.071 0.302 237 V C -1.795 174.299 176.094 0.001 0.000 1.097 237 V CA -1.735 60.542 62.300 -0.038 0.000 1.003 237 V CB 2.285 34.048 31.823 -0.099 0.000 1.229 237 V HN -0.093 8.167 8.190 0.116 0.000 0.444 238 A N -3.087 119.705 122.820 -0.047 0.000 1.895 238 A HA 0.348 4.701 4.320 0.056 0.000 0.198 238 A C -1.546 176.059 177.584 0.036 0.000 1.709 238 A CA -0.058 51.987 52.037 0.013 0.000 1.194 238 A CB 2.645 21.641 19.000 -0.006 0.000 1.260 238 A HN 0.193 8.248 8.150 -0.158 0.000 0.441 239 L N -3.741 117.523 121.223 0.068 0.000 2.376 239 L HA 0.568 5.088 4.340 0.118 -0.109 0.258 239 L C -2.075 175.029 176.870 0.390 0.000 1.013 239 L CA -1.366 53.577 54.840 0.172 0.000 0.822 239 L CB 4.977 47.120 42.059 0.140 0.000 1.388 239 L HN -0.889 7.356 8.230 0.025 0.000 0.413 240 V N -6.233 113.862 119.914 0.302 0.000 2.876 240 V HA 0.552 4.597 4.120 -0.126 0.000 0.312 240 V C -1.683 174.314 176.094 -0.161 0.000 1.085 240 V CA -2.802 59.504 62.300 0.009 0.000 0.945 240 V CB 3.646 35.415 31.823 -0.090 0.000 1.017 240 V HN 0.457 8.772 8.190 0.208 0.000 0.428 241 K N 2.035 121.936 120.400 -0.832 0.000 2.286 241 K HA -0.166 4.076 4.320 -0.131 0.000 0.256 241 K C -0.649 175.815 176.600 -0.227 0.000 0.999 241 K CA 0.042 56.024 56.287 -0.508 0.000 0.908 241 K CB 0.815 32.888 32.500 -0.712 0.000 0.981 241 K HN 0.023 7.376 8.250 -1.495 0.000 0.500 242 N N 0.887 119.521 118.700 -0.109 0.000 2.423 242 N HA -0.317 4.425 4.740 -0.077 -0.049 0.275 242 N C -0.641 174.755 175.510 -0.190 0.000 1.283 242 N CA 1.185 54.175 53.050 -0.100 0.000 0.932 242 N CB -0.006 38.455 38.487 -0.043 0.000 1.185 242 N HN 0.271 8.621 8.380 -0.051 0.000 0.483 243 Q N 5.093 124.733 119.800 -0.267 0.000 2.340 243 Q HA 0.103 4.211 4.340 -0.387 0.000 0.259 243 Q C -0.598 175.111 176.000 -0.485 0.000 0.964 243 Q CA -0.627 54.909 55.803 -0.445 0.000 0.900 243 Q CB 1.275 29.660 28.738 -0.589 0.000 1.228 243 Q HN -0.120 8.011 8.270 -0.231 0.000 0.449 244 T N 6.281 120.597 114.554 -0.396 0.000 2.932 244 T HA -0.079 4.172 4.350 -0.166 0.000 0.312 244 T C 0.494 174.947 174.700 -0.411 0.000 1.071 244 T CA 0.369 62.301 62.100 -0.280 0.000 1.128 244 T CB 0.750 69.513 68.868 -0.176 0.000 0.984 244 T HN 0.080 8.108 8.240 -0.354 0.000 0.549 245 T N 9.753 124.245 114.554 -0.103 0.000 3.842 245 T HA -0.005 4.487 4.350 0.238 0.000 0.267 245 T C -0.798 173.991 174.700 0.149 0.000 1.173 245 T CA 0.686 62.880 62.100 0.155 0.000 1.142 245 T CB -1.367 67.693 68.868 0.320 0.000 1.191 245 T HN 0.320 8.551 8.240 -0.014 0.000 0.895 246 A N 6.714 129.593 122.820 0.098 0.000 2.260 246 A HA -0.052 4.314 4.320 0.077 0.000 0.208 246 A C -1.275 176.459 177.584 0.251 0.000 1.588 246 A CA 1.040 53.155 52.037 0.130 0.000 0.600 246 A CB 0.354 19.380 19.000 0.043 0.000 1.142 246 A HN -0.136 7.878 8.150 -0.163 0.039 0.494 247 A N -1.954 121.052 122.820 0.310 0.000 2.572 247 A HA 0.284 4.717 4.320 0.189 0.000 0.295 247 A C -1.761 175.939 177.584 0.193 0.000 1.072 247 A CA -0.124 52.042 52.037 0.215 0.000 0.691 247 A CB 1.411 20.483 19.000 0.119 0.000 1.291 247 A HN -0.020 8.342 8.150 0.354 0.000 0.404 248 A N 0.000 122.827 122.820 0.011 0.000 2.254 248 A HA 0.000 4.272 4.320 -0.080 0.000 0.244 248 A CA 0.000 51.970 52.037 -0.112 0.000 0.836 248 A CB 0.000 18.709 19.000 -0.485 0.000 0.831 248 A HN 0.000 8.166 8.150 0.026 0.000 0.486