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 1awe_1_A DATA FIRST_RESID 22 DATA SEQUENCE MNEIQKNIDG WEGKDIGQCC NEFIMEGTLT RVGAKHERHI FLFDGLMICC DATA SEQUENCE KSNHGQPRLP GASNAEYRLK EKFFMRKVQI NDKDDTNEYK HAFEIILKDE DATA SEQUENCE NSVIFSAKSA EEKNNWMAAL ISLQYRSTLE 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 22 M HA 0.000 4.328 4.480 -0.253 0.000 0.227 22 M C 0.000 176.030 176.300 -0.450 0.000 1.140 22 M CA 0.000 54.983 55.300 -0.529 0.000 0.988 22 M CB 0.000 31.788 32.600 -1.354 0.000 1.302 23 N N 1.681 120.203 118.700 -0.296 0.000 2.173 23 N HA -0.222 4.363 4.740 -0.258 0.000 0.184 23 N C 0.742 176.148 175.510 -0.173 0.000 1.025 23 N CA 2.670 55.586 53.050 -0.224 0.000 0.852 23 N CB -0.976 37.413 38.487 -0.163 0.000 0.998 23 N HN 0.461 8.696 8.380 -0.242 0.000 0.427 24 E N -1.261 118.842 120.200 -0.161 0.000 2.502 24 E HA -0.054 4.224 4.350 -0.120 0.000 0.194 24 E C 0.898 177.392 176.600 -0.177 0.000 1.062 24 E CA 1.171 57.483 56.400 -0.146 0.000 0.867 24 E CB -0.465 29.152 29.700 -0.137 0.000 0.888 24 E HN 0.265 8.528 8.360 -0.162 0.000 0.510 25 I N -1.985 118.471 120.570 -0.189 0.000 4.032 25 I HA -0.054 3.977 4.170 -0.233 0.000 0.313 25 I C 1.093 177.165 176.117 -0.075 0.000 1.272 25 I CA 0.215 61.407 61.300 -0.179 0.000 1.307 25 I CB 0.770 38.655 38.000 -0.192 0.000 1.155 25 I HN -0.571 7.407 8.210 -0.196 0.114 0.431 26 Q N -0.008 119.721 119.800 -0.118 0.000 2.368 26 Q HA -0.281 4.059 4.340 -0.001 0.000 0.210 26 Q C 1.260 177.238 176.000 -0.036 0.000 0.982 26 Q CA 2.969 58.717 55.803 -0.092 0.000 0.884 26 Q CB -0.237 28.372 28.738 -0.214 0.000 0.933 26 Q HN 0.027 7.969 8.270 -0.194 0.211 0.460 27 K N -2.653 117.715 120.400 -0.053 0.000 2.969 27 K HA 0.109 4.388 4.320 0.002 0.043 0.222 27 K C -0.821 175.774 176.600 -0.008 0.000 1.172 27 K CA -1.286 54.987 56.287 -0.022 0.000 1.192 27 K CB -1.238 31.241 32.500 -0.035 0.000 1.111 27 K HN -0.231 7.920 8.250 -0.086 0.047 0.457 28 N N -3.481 115.224 118.700 0.008 0.000 2.240 28 N HA -0.035 4.789 4.740 0.140 0.000 0.219 28 N C -1.942 173.603 175.510 0.057 0.000 1.407 28 N CA 0.409 53.456 53.050 -0.006 0.000 1.137 28 N CB 1.427 39.756 38.487 -0.263 0.000 1.202 28 N HN -0.363 7.953 8.380 0.026 0.080 0.581 29 I N -6.182 114.453 120.570 0.109 0.000 4.710 29 I HA 0.278 4.575 4.170 0.133 -0.047 0.168 29 I C -1.302 174.901 176.117 0.143 0.000 0.791 29 I CA -1.899 59.486 61.300 0.141 0.000 1.936 29 I CB 1.029 39.150 38.000 0.201 0.000 1.185 29 I HN -1.016 7.254 8.210 0.099 0.000 0.388 30 D N -1.012 119.474 120.400 0.143 0.000 2.093 30 D HA -0.046 4.657 4.640 0.106 0.000 0.067 30 D C -0.323 176.054 176.300 0.127 0.000 1.444 30 D CA 0.941 55.011 54.000 0.116 0.000 1.102 30 D CB 0.151 41.007 40.800 0.093 0.000 2.831 30 D HN -0.150 8.327 8.370 0.180 0.000 0.196 31 G N -1.328 107.546 108.800 0.124 0.000 3.284 31 G HA2 -0.072 3.966 3.960 0.129 0.000 0.236 31 G HA3 -0.072 3.946 3.960 0.096 0.000 0.236 31 G C -0.490 174.538 174.900 0.215 0.000 1.158 31 G CA -0.780 44.400 45.100 0.134 0.000 0.774 31 G HN 0.170 8.521 8.290 0.101 0.000 0.545 32 W N 0.214 121.525 121.300 0.018 0.000 7.300 32 W HA -0.400 4.276 4.660 0.027 0.000 0.426 32 W C -1.981 174.555 176.519 0.027 0.000 1.742 32 W CA 0.224 57.582 57.345 0.022 0.000 1.175 32 W CB -1.339 28.128 29.460 0.012 0.000 2.959 32 W HN -0.276 7.992 8.180 0.270 0.074 1.559 33 E N 1.668 121.780 120.200 -0.147 0.000 2.442 33 E HA -0.194 4.121 4.350 -0.058 0.000 0.260 33 E C 0.426 176.822 176.600 -0.341 0.000 1.148 33 E CA 1.674 57.977 56.400 -0.162 0.000 0.976 33 E CB 0.566 30.207 29.700 -0.098 0.000 0.967 33 E HN -0.313 7.993 8.360 -0.090 0.000 0.454 34 G N -0.690 107.996 108.800 -0.189 0.000 2.629 34 G HA2 -0.296 3.586 3.960 -0.130 0.000 0.686 34 G HA3 -0.296 3.500 3.960 -0.273 0.000 0.686 34 G C -1.205 173.651 174.900 -0.074 0.000 1.232 34 G CA -0.710 44.283 45.100 -0.179 0.000 0.803 34 G HN 0.024 8.250 8.290 -0.106 0.000 0.638 35 K N 2.601 122.984 120.400 -0.030 0.000 2.356 35 K HA 0.109 4.470 4.320 0.069 0.000 0.243 35 K C -0.384 176.255 176.600 0.065 0.000 1.072 35 K CA -0.725 55.581 56.287 0.032 0.000 1.014 35 K CB -0.307 32.199 32.500 0.011 0.000 1.523 35 K HN 0.139 8.359 8.250 -0.050 0.000 0.455 36 D N 1.910 122.403 120.400 0.155 0.000 4.733 36 D HA -0.325 4.497 4.640 0.303 0.000 0.239 36 D C -0.629 175.748 176.300 0.128 0.000 1.075 36 D CA 1.166 55.276 54.000 0.183 0.000 1.258 36 D CB 0.660 41.525 40.800 0.107 0.000 0.761 36 D HN 0.184 8.697 8.370 0.238 0.000 0.378 37 I N -2.308 118.375 120.570 0.188 0.000 3.883 37 I HA 0.287 4.486 4.170 0.048 0.000 0.305 37 I C 1.161 177.339 176.117 0.101 0.000 1.247 37 I CA 1.054 62.409 61.300 0.091 0.000 1.350 37 I CB 0.914 38.909 38.000 -0.008 0.000 1.194 37 I HN 0.168 8.606 8.210 0.380 0.000 0.441 38 G N -0.170 108.744 108.800 0.191 0.000 2.479 38 G HA2 -0.385 3.726 3.960 0.064 0.000 0.220 38 G HA3 -0.385 3.640 3.960 0.108 0.000 0.220 38 G C 0.559 175.488 174.900 0.047 0.000 1.115 38 G CA 2.117 47.279 45.100 0.103 0.000 0.757 38 G HN 0.457 8.956 8.290 0.350 0.000 0.560 39 Q N -3.056 116.776 119.800 0.055 0.000 2.391 39 Q HA -0.027 4.324 4.340 0.019 0.000 0.211 39 Q C 0.359 176.371 176.000 0.020 0.000 0.908 39 Q CA 1.330 57.150 55.803 0.030 0.000 0.920 39 Q CB -0.614 28.143 28.738 0.032 0.000 1.056 39 Q HN -0.080 8.195 8.270 0.081 0.044 0.523 40 C N -1.171 118.144 119.300 0.025 0.000 2.634 40 C HA -0.010 4.457 4.460 0.011 0.000 0.268 40 C C 0.112 175.106 174.990 0.006 0.000 1.322 40 C CA 2.042 61.069 59.018 0.014 0.000 1.737 40 C CB 1.984 29.733 27.740 0.016 0.000 1.976 40 C HN -0.138 7.974 8.230 0.039 0.141 0.547 41 C N -4.180 115.120 119.300 -0.000 0.000 3.398 41 C HA -0.115 4.330 4.460 -0.025 0.000 0.156 41 C C -2.080 172.875 174.990 -0.058 0.000 3.347 41 C CA 0.994 59.998 59.018 -0.023 0.000 0.915 41 C CB -0.249 27.483 27.740 -0.012 0.000 2.601 41 C HN 0.349 8.460 8.230 0.009 0.124 0.583 42 N N -0.515 118.123 118.700 -0.104 0.000 2.828 42 N HA -0.331 4.118 4.740 -0.485 0.000 0.248 42 N C -1.184 174.113 175.510 -0.354 0.000 1.044 42 N CA 1.324 54.184 53.050 -0.317 0.000 0.851 42 N CB -0.564 37.835 38.487 -0.147 0.000 1.136 42 N HN 0.214 8.564 8.380 -0.050 0.000 0.572 43 E N -0.771 119.312 120.200 -0.195 0.000 1.774 43 E HA -0.099 4.120 4.350 -0.218 0.000 0.265 43 E C -0.237 176.218 176.600 -0.242 0.000 1.207 43 E CA -0.429 55.831 56.400 -0.232 0.000 1.054 43 E CB -1.608 27.971 29.700 -0.203 0.000 1.074 43 E HN -0.005 8.216 8.360 -0.128 0.062 0.433 44 F N 1.400 121.288 119.950 -0.104 0.000 2.292 44 F HA -0.295 4.602 4.527 0.457 -0.096 0.369 44 F C -0.745 175.195 175.800 0.234 0.000 1.045 44 F CA -0.466 57.675 58.000 0.235 0.000 0.937 44 F CB -1.782 37.494 39.000 0.460 0.000 0.852 44 F HN -0.108 8.298 8.300 0.209 0.019 0.521 45 I N 2.479 123.157 120.570 0.180 0.000 2.091 45 I HA -0.415 3.715 4.170 -0.065 0.000 0.239 45 I C 0.250 176.446 176.117 0.131 0.000 1.061 45 I CA 2.937 64.278 61.300 0.067 0.000 1.317 45 I CB 0.333 38.388 38.000 0.090 0.000 1.031 45 I HN 0.197 8.578 8.210 0.284 0.000 0.401 46 M N -3.325 116.403 119.600 0.213 0.000 2.259 46 M HA 0.284 4.857 4.480 0.155 0.000 0.304 46 M C -2.458 173.888 176.300 0.077 0.000 1.019 46 M CA -0.890 54.499 55.300 0.149 0.000 0.922 46 M CB 2.816 35.463 32.600 0.079 0.000 1.600 46 M HN -0.678 7.769 8.290 0.262 0.000 0.433 47 E N 3.410 123.605 120.200 -0.007 0.000 2.129 47 E HA 0.286 4.037 4.350 -0.999 0.000 0.268 47 E C -1.188 175.214 176.600 -0.329 0.000 0.900 47 E CA -1.405 54.715 56.400 -0.467 0.000 0.755 47 E CB 0.972 30.455 29.700 -0.361 0.000 1.117 47 E HN 0.291 8.711 8.360 0.101 0.000 0.410 48 G N 2.763 111.282 108.800 -0.470 0.000 2.547 48 G HA2 0.067 3.897 3.960 -0.216 0.000 0.291 48 G HA3 0.067 3.919 3.960 -0.179 0.000 0.291 48 G C -3.103 171.418 174.900 -0.632 0.000 1.471 48 G CA 0.602 45.495 45.100 -0.344 0.000 0.798 48 G HN -0.209 7.680 8.290 -0.667 0.000 0.504 49 T N 0.308 114.491 114.554 -0.618 0.000 2.786 49 T HA 0.227 4.342 4.350 -0.711 -0.191 0.283 49 T C -1.112 173.265 174.700 -0.538 0.000 0.992 49 T CA -1.312 60.378 62.100 -0.685 0.000 0.954 49 T CB 1.553 69.940 68.868 -0.801 0.000 0.934 49 T HN -0.024 8.036 8.240 -0.299 0.000 0.440 50 L N 7.281 128.021 121.223 -0.805 0.000 2.334 50 L HA 0.341 4.368 4.340 -0.522 0.000 0.273 50 L C -0.732 175.947 176.870 -0.318 0.000 1.013 50 L CA -1.048 53.269 54.840 -0.873 0.000 0.816 50 L CB 2.597 43.586 42.059 -1.782 0.000 1.278 50 L HN -0.013 7.763 8.230 -0.756 0.000 0.431 51 T N 3.240 117.773 114.554 -0.036 0.000 2.875 51 T HA 0.108 4.530 4.350 0.013 -0.064 0.284 51 T C -1.371 173.391 174.700 0.104 0.000 0.995 51 T CA -0.021 62.101 62.100 0.038 0.000 1.060 51 T CB 1.329 70.236 68.868 0.065 0.000 0.967 51 T HN -0.175 8.083 8.240 0.126 0.057 0.476 52 R N 7.535 128.106 120.500 0.117 0.000 2.235 52 R HA 0.195 4.915 4.340 0.227 -0.244 0.338 52 R C 0.472 176.835 176.300 0.104 0.000 1.087 52 R CA -1.187 55.008 56.100 0.158 0.000 0.948 52 R CB 0.320 30.717 30.300 0.161 0.000 1.099 52 R HN 0.827 9.039 8.270 0.103 0.120 0.483 53 V N 10.085 130.047 119.914 0.081 0.000 2.054 53 V HA -0.083 4.048 4.120 0.018 0.000 0.243 53 V C -0.713 175.391 176.094 0.017 0.000 1.480 53 V CA 0.630 62.947 62.300 0.029 0.000 1.440 53 V CB -1.944 29.883 31.823 0.005 0.000 1.489 53 V HN 0.860 9.008 8.190 0.104 0.104 0.502 54 G N 3.572 112.388 108.800 0.027 0.000 4.162 54 G HA2 0.123 4.082 3.960 -0.000 0.000 0.252 54 G HA3 0.123 4.104 3.960 0.036 0.000 0.252 54 G C -1.188 173.721 174.900 0.015 0.000 1.064 54 G CA 0.621 45.733 45.100 0.020 0.000 0.850 54 G HN 0.128 8.400 8.290 0.039 0.042 0.454 55 A N -0.741 122.067 122.820 -0.020 0.000 2.112 55 A HA -0.070 4.197 4.320 -0.089 0.000 0.228 55 A C -1.644 175.770 177.584 -0.283 0.000 2.862 55 A CA 0.245 52.223 52.037 -0.098 0.000 1.932 55 A CB 0.126 19.115 19.000 -0.019 0.000 0.252 55 A HN -0.607 7.529 8.150 -0.023 0.000 0.821 56 K N 0.123 120.421 120.400 -0.170 0.000 4.418 56 K HA -0.380 3.888 4.320 -0.087 0.000 0.285 56 K C -1.613 174.806 176.600 -0.302 0.000 0.874 56 K CA 1.190 57.367 56.287 -0.183 0.000 0.844 56 K CB -1.423 30.975 32.500 -0.171 0.000 1.691 56 K HN -0.001 8.195 8.250 -0.090 0.000 0.433 57 H N 0.656 119.718 119.070 -0.014 0.000 2.806 57 H HA 0.345 4.874 4.556 -0.045 0.000 0.367 57 H C -1.523 173.794 175.328 -0.018 0.000 1.136 57 H CA -0.858 55.174 56.048 -0.027 0.000 1.178 57 H CB 3.991 33.737 29.762 -0.026 0.000 1.718 57 H HN -0.682 7.627 8.280 0.048 0.000 0.540 58 E N 0.359 120.633 120.200 0.124 0.000 2.336 58 E HA 0.425 4.803 4.350 0.047 0.000 0.267 58 E C -2.169 174.455 176.600 0.039 0.000 0.906 58 E CA -1.609 54.823 56.400 0.054 0.000 0.781 58 E CB 3.802 33.527 29.700 0.041 0.000 1.261 58 E HN 0.083 8.525 8.360 0.136 0.000 0.436 59 R N -2.058 118.469 120.500 0.045 0.000 2.579 59 R HA 0.414 5.023 4.340 0.254 -0.116 0.260 59 R C -2.531 173.819 176.300 0.083 0.000 1.103 59 R CA -0.561 55.613 56.100 0.124 0.000 0.942 59 R CB 2.828 33.154 30.300 0.043 0.000 1.251 59 R HN 0.105 8.368 8.270 -0.011 0.000 0.450 60 H N 4.260 123.426 119.070 0.160 0.000 3.067 60 H HA 0.047 4.534 4.556 -0.115 0.000 0.265 60 H C -0.801 174.461 175.328 -0.111 0.000 1.234 60 H CA -0.512 55.487 56.048 -0.081 0.000 1.452 60 H CB 0.288 29.824 29.762 -0.376 0.000 1.527 60 H HN 0.566 9.146 8.280 0.607 0.064 0.486 61 I N 3.996 124.426 120.570 -0.232 0.000 2.754 61 I HA -0.324 3.767 4.170 -0.133 0.000 0.285 61 I C -0.885 175.143 176.117 -0.148 0.000 1.166 61 I CA -0.182 60.971 61.300 -0.246 0.000 1.417 61 I CB 0.028 37.708 38.000 -0.533 0.000 1.382 61 I HN -0.244 7.697 8.210 -0.449 0.000 0.588 62 F N 4.994 124.867 119.950 -0.129 0.000 3.358 62 F HA 0.294 5.062 4.527 0.101 -0.180 0.396 62 F C -1.328 174.391 175.800 -0.135 0.000 1.225 62 F CA -1.027 56.966 58.000 -0.011 0.000 1.280 62 F CB 2.661 41.704 39.000 0.072 0.000 2.012 62 F HN 0.141 8.421 8.300 -0.034 0.000 0.685 63 L N 4.016 125.333 121.223 0.157 0.000 2.456 63 L HA 0.244 4.535 4.340 -0.081 0.000 0.277 63 L C -2.075 175.036 176.870 0.401 0.000 1.124 63 L CA 0.153 55.059 54.840 0.110 0.000 0.880 63 L CB -0.232 41.877 42.059 0.082 0.000 1.192 63 L HN -0.105 8.184 8.230 0.098 0.000 0.463 64 F N 6.635 126.630 119.950 0.075 0.000 2.377 64 F HA 0.046 4.656 4.527 0.138 0.000 0.328 64 F C -0.378 175.433 175.800 0.019 0.000 1.094 64 F CA -2.807 55.234 58.000 0.069 0.000 1.093 64 F CB 1.520 40.530 39.000 0.016 0.000 1.214 64 F HN 0.819 9.051 8.300 0.046 0.096 0.518 65 D N -0.497 120.011 120.400 0.179 0.000 2.403 65 D HA -0.169 4.518 4.640 0.079 0.000 0.227 65 D C 0.918 177.264 176.300 0.078 0.000 0.995 65 D CA 2.360 56.409 54.000 0.081 0.000 0.928 65 D CB 0.577 41.386 40.800 0.014 0.000 0.887 65 D HN 0.040 8.485 8.370 0.125 0.000 0.529 66 G N -1.606 107.267 108.800 0.121 0.000 2.747 66 G HA2 -0.025 3.967 3.960 0.054 0.000 0.202 66 G HA3 -0.025 3.987 3.960 0.086 0.000 0.202 66 G C -1.930 173.009 174.900 0.065 0.000 1.090 66 G CA 0.337 45.487 45.100 0.083 0.000 0.779 66 G HN -0.190 8.125 8.290 0.214 0.104 0.535 67 L N -7.057 114.209 121.223 0.072 0.000 3.119 67 L HA 0.216 4.516 4.340 -0.067 0.000 0.283 67 L C -2.732 174.020 176.870 -0.197 0.000 1.028 67 L CA -1.023 53.783 54.840 -0.057 0.000 0.975 67 L CB 2.625 44.663 42.059 -0.034 0.000 1.543 67 L HN -0.977 7.256 8.230 0.173 0.101 0.390 68 M N -0.236 119.091 119.600 -0.455 0.000 2.238 68 M HA 0.283 4.515 4.480 -0.414 0.000 0.350 68 M C -2.547 173.415 176.300 -0.563 0.000 1.138 68 M CA -1.151 53.788 55.300 -0.601 0.000 1.040 68 M CB 2.303 34.193 32.600 -1.183 0.000 1.639 68 M HN 0.182 8.074 8.290 -0.543 0.072 0.451 69 I N 5.527 125.757 120.570 -0.566 0.000 2.439 69 I HA 0.574 4.721 4.170 -0.361 -0.194 0.285 69 I C -2.329 173.634 176.117 -0.257 0.000 1.021 69 I CA -2.578 58.428 61.300 -0.489 0.000 1.091 69 I CB 2.435 39.944 38.000 -0.817 0.000 1.242 69 I HN -0.101 7.769 8.210 -0.566 0.000 0.439 70 C N 9.194 128.417 119.300 -0.129 0.000 2.251 70 C HA 0.156 4.589 4.460 -0.045 0.000 0.323 70 C C -0.573 174.422 174.990 0.009 0.000 1.241 70 C CA -1.663 57.333 59.018 -0.037 0.000 1.601 70 C CB 1.080 28.830 27.740 0.016 0.000 2.251 70 C HN 0.575 8.731 8.230 -0.122 0.000 0.488 71 C N 7.877 127.221 119.300 0.073 0.000 2.289 71 C HA 0.016 4.720 4.460 0.107 -0.180 0.340 71 C C -0.454 174.684 174.990 0.247 0.000 1.152 71 C CA 0.107 59.218 59.018 0.155 0.000 1.650 71 C CB -1.198 26.638 27.740 0.159 0.000 2.203 71 C HN 0.896 9.073 8.230 0.089 0.106 0.511 72 K N 6.403 126.886 120.400 0.139 0.000 2.469 72 K HA -0.247 4.100 4.320 0.045 0.000 0.274 72 K C -1.010 175.631 176.600 0.068 0.000 0.983 72 K CA 1.617 57.941 56.287 0.062 0.000 0.974 72 K CB 0.662 33.140 32.500 -0.038 0.000 0.913 72 K HN 1.009 9.229 8.250 0.088 0.083 0.493 73 S N 1.650 117.302 115.700 -0.080 0.000 2.706 73 S HA 0.282 4.497 4.470 -0.425 0.000 0.270 73 S C -2.244 172.213 174.600 -0.237 0.000 1.163 73 S CA -0.176 57.824 58.200 -0.334 0.000 1.042 73 S CB 1.207 64.017 63.200 -0.649 0.000 1.079 73 S HN 0.487 8.753 8.310 -0.075 0.000 0.474 74 N N 6.776 125.304 118.700 -0.287 0.000 3.013 74 N HA 0.043 4.750 4.740 -0.055 0.000 0.250 74 N C -1.496 173.916 175.510 -0.164 0.000 0.997 74 N CA 0.773 53.697 53.050 -0.210 0.000 1.052 74 N CB 1.140 39.418 38.487 -0.349 0.000 1.663 74 N HN 0.654 8.828 8.380 -0.343 0.000 0.641 75 H N -0.353 118.687 119.070 -0.051 0.000 3.043 75 H HA 0.377 4.907 4.556 -0.043 0.000 0.302 75 H C -0.822 174.469 175.328 -0.062 0.000 1.506 75 H CA -1.847 54.176 56.048 -0.043 0.000 1.282 75 H CB 0.538 30.294 29.762 -0.011 0.000 1.914 75 H HN -0.258 7.638 8.280 -0.641 0.000 0.625 76 G N -3.239 105.675 108.800 0.189 0.000 2.552 76 G HA2 0.138 4.145 3.960 0.079 0.000 0.318 76 G HA3 0.138 4.126 3.960 0.046 0.000 0.318 76 G C -1.232 173.699 174.900 0.052 0.000 1.240 76 G CA -0.971 44.183 45.100 0.089 0.000 1.002 76 G HN -0.158 8.221 8.290 0.147 0.000 0.493 77 Q N -1.017 118.803 119.800 0.032 0.000 2.456 77 Q HA 0.253 4.572 4.340 -0.035 0.000 0.284 77 Q C -2.015 173.988 176.000 0.004 0.000 1.061 77 Q CA -2.092 53.714 55.803 0.006 0.000 0.799 77 Q CB 2.002 30.760 28.738 0.033 0.000 1.445 77 Q HN 0.111 8.404 8.270 0.038 0.000 0.411 78 P HA 0.098 4.517 4.420 -0.002 0.000 0.302 78 P C -0.910 176.393 177.300 0.005 0.000 1.301 78 P CA -0.455 62.643 63.100 -0.003 0.000 0.745 78 P CB 0.590 32.284 31.700 -0.010 0.000 1.331 79 R N -4.011 116.491 120.500 0.004 0.000 3.872 79 R HA -0.267 4.075 4.340 0.003 0.000 0.341 79 R C 1.667 177.972 176.300 0.008 0.000 1.172 79 R CA 1.079 57.183 56.100 0.006 0.000 0.901 79 R CB -1.516 28.789 30.300 0.008 0.000 1.422 79 R HN 0.369 8.639 8.270 0.001 0.000 0.523 80 L N -1.651 119.577 121.223 0.009 0.000 2.056 80 L HA -0.157 4.192 4.340 0.014 0.000 0.207 80 L C -1.166 175.708 176.870 0.006 0.000 1.078 80 L CA 3.947 58.794 54.840 0.011 0.000 0.749 80 L CB -1.872 40.195 42.059 0.013 0.000 0.901 80 L HN 0.191 8.395 8.230 0.007 0.030 0.433 81 P HA -0.044 4.376 4.420 0.001 0.000 0.245 81 P C -0.090 177.210 177.300 -0.001 0.000 1.212 81 P CA 0.193 63.294 63.100 0.001 0.000 0.774 81 P CB -0.473 31.228 31.700 0.000 0.000 0.999 82 G N -0.382 108.418 108.800 0.000 0.000 3.518 82 G HA2 -0.074 3.885 3.960 -0.003 0.000 0.273 82 G HA3 -0.074 3.887 3.960 0.000 0.000 0.273 82 G C -1.007 173.891 174.900 -0.004 0.000 1.199 82 G CA -0.830 44.269 45.100 -0.001 0.000 0.899 82 G HN -0.568 7.575 8.290 0.002 0.148 0.533 83 A N -0.719 122.098 122.820 -0.005 0.000 1.799 83 A HA -0.408 3.905 4.320 -0.011 0.000 0.229 83 A C -1.320 176.259 177.584 -0.008 0.000 1.331 83 A CA 0.860 52.891 52.037 -0.010 0.000 0.677 83 A CB -0.990 18.001 19.000 -0.015 0.000 1.174 83 A HN -0.369 7.685 8.150 -0.004 0.093 0.240 84 S N 1.425 117.123 115.700 -0.004 0.000 2.690 84 S HA 0.017 4.482 4.470 -0.007 0.000 0.264 84 S C -2.247 172.360 174.600 0.011 0.000 1.040 84 S CA 0.128 58.329 58.200 0.002 0.000 0.869 84 S CB 1.938 65.144 63.200 0.011 0.000 1.132 84 S HN 0.182 8.490 8.310 -0.004 0.000 0.474 85 N N 0.337 119.051 118.700 0.024 0.000 3.624 85 N HA 0.025 4.792 4.740 0.045 0.000 0.131 85 N C -1.819 173.732 175.510 0.069 0.000 0.987 85 N CA 1.263 54.338 53.050 0.041 0.000 2.687 85 N CB 0.882 39.385 38.487 0.025 0.000 1.443 85 N HN 0.321 8.718 8.380 0.028 0.000 0.765 86 A N 0.538 123.409 122.820 0.085 0.000 3.290 86 A HA 0.283 4.682 4.320 0.140 0.006 0.297 86 A C -0.646 177.044 177.584 0.177 0.000 1.285 86 A CA -1.629 50.486 52.037 0.130 0.000 1.060 86 A CB -1.524 17.539 19.000 0.105 0.000 1.114 86 A HN 0.135 8.327 8.150 0.070 0.000 0.601 87 E N -0.815 119.505 120.200 0.200 0.000 2.253 87 E HA -0.414 3.980 4.350 0.074 0.000 0.202 87 E C 0.462 177.084 176.600 0.038 0.000 1.014 87 E CA 2.600 59.068 56.400 0.115 0.000 0.823 87 E CB 0.078 29.825 29.700 0.079 0.000 0.736 87 E HN -0.094 8.329 8.360 0.200 0.057 0.478 88 Y N -4.788 115.540 120.300 0.047 0.000 2.613 88 Y HA 0.302 4.958 4.550 0.032 -0.087 0.359 88 Y C -0.370 175.553 175.900 0.037 0.000 1.289 88 Y CA -0.175 57.951 58.100 0.043 0.000 1.460 88 Y CB 2.395 40.892 38.460 0.061 0.000 1.622 88 Y HN -0.720 7.898 8.280 0.619 0.033 0.631 89 R N -1.233 119.399 120.500 0.220 0.000 2.549 89 R HA 0.225 4.770 4.340 0.127 -0.129 0.291 89 R C -1.848 174.510 176.300 0.096 0.000 1.164 89 R CA -1.228 54.945 56.100 0.122 0.000 0.973 89 R CB 3.279 33.617 30.300 0.063 0.000 1.210 89 R HN 0.239 8.579 8.270 0.277 0.096 0.422 90 L N 3.722 124.994 121.223 0.081 0.000 2.559 90 L HA -0.078 4.273 4.340 0.018 0.000 0.274 90 L C -1.483 175.383 176.870 -0.007 0.000 1.205 90 L CA 0.449 55.303 54.840 0.024 0.000 0.907 90 L CB -0.575 41.491 42.059 0.011 0.000 1.153 90 L HN 0.319 8.577 8.230 0.101 0.032 0.490 91 K N 5.108 125.488 120.400 -0.032 0.000 2.307 91 K HA 0.179 4.490 4.320 -0.015 0.000 0.263 91 K C -0.789 175.770 176.600 -0.069 0.000 0.973 91 K CA -2.109 54.159 56.287 -0.031 0.000 0.846 91 K CB 2.582 35.075 32.500 -0.010 0.000 1.100 91 K HN 0.504 8.597 8.250 -0.044 0.131 0.438 92 E N 6.231 126.409 120.200 -0.037 0.000 2.415 92 E HA -0.193 4.123 4.350 -0.056 0.000 0.260 92 E C -0.673 175.862 176.600 -0.107 0.000 1.016 92 E CA 1.692 58.086 56.400 -0.011 0.000 0.924 92 E CB 0.199 29.982 29.700 0.139 0.000 0.961 92 E HN 0.400 8.756 8.360 -0.007 0.000 0.459 93 K N 5.132 125.399 120.400 -0.221 0.000 3.050 93 K HA 0.274 4.337 4.320 -0.429 0.000 0.185 93 K C -1.741 174.434 176.600 -0.709 0.000 1.147 93 K CA -1.735 54.282 56.287 -0.450 0.000 0.916 93 K CB 1.110 33.432 32.500 -0.297 0.000 1.119 93 K HN 0.153 8.284 8.250 -0.198 0.000 0.605 94 F N -0.592 119.196 119.950 -0.270 0.000 2.605 94 F HA 0.160 4.487 4.527 -0.334 0.000 0.352 94 F C -1.393 174.351 175.800 -0.093 0.000 1.236 94 F CA -1.999 55.862 58.000 -0.232 0.000 1.267 94 F CB -1.853 37.084 39.000 -0.104 0.000 1.632 94 F HN -0.048 7.487 8.300 -1.276 0.000 0.639 95 F N 0.366 120.305 119.950 -0.017 0.000 2.938 95 F HA 0.280 4.828 4.527 0.035 0.000 0.370 95 F C 0.412 176.219 175.800 0.013 0.000 0.981 95 F CA -1.296 56.693 58.000 -0.018 0.000 1.108 95 F CB 0.341 39.277 39.000 -0.107 0.000 1.086 95 F HN -0.285 7.415 8.300 -0.953 0.028 0.569 96 M N 1.485 121.090 119.600 0.008 0.000 2.252 96 M HA -0.476 4.234 4.480 0.384 0.000 0.255 96 M C 1.856 178.250 176.300 0.156 0.000 1.085 96 M CA 3.282 58.666 55.300 0.140 0.000 1.059 96 M CB -1.047 31.520 32.600 -0.055 0.000 1.375 96 M HN -0.282 7.598 8.290 -0.684 0.000 0.409 97 R N -3.374 117.201 120.500 0.125 0.000 2.355 97 R HA -0.229 4.167 4.340 0.092 0.000 0.219 97 R C -0.851 175.523 176.300 0.123 0.000 1.107 97 R CA 1.135 57.301 56.100 0.111 0.000 1.021 97 R CB -0.023 30.337 30.300 0.099 0.000 0.852 97 R HN -0.168 8.129 8.270 0.104 0.035 0.475 98 K N -3.074 117.421 120.400 0.160 0.000 2.709 98 K HA 0.048 4.437 4.320 0.115 0.000 0.288 98 K C -2.493 174.181 176.600 0.123 0.000 1.362 98 K CA -0.362 56.001 56.287 0.126 0.000 1.002 98 K CB 0.773 33.331 32.500 0.096 0.000 1.407 98 K HN 0.039 8.213 8.250 0.222 0.209 0.526 99 V N 0.768 120.753 119.914 0.119 0.000 3.463 99 V HA 0.180 4.272 4.120 -0.046 0.000 0.302 99 V C -1.462 174.621 176.094 -0.019 0.000 1.097 99 V CA -2.431 59.889 62.300 0.034 0.000 1.003 99 V CB 1.863 33.747 31.823 0.102 0.000 1.229 99 V HN -0.214 8.053 8.190 0.128 0.000 0.444 100 Q N -0.366 119.382 119.800 -0.087 0.000 4.056 100 Q HA 0.149 4.469 4.340 -0.034 0.000 0.163 100 Q C -1.544 174.387 176.000 -0.115 0.000 0.865 100 Q CA -0.441 55.318 55.803 -0.074 0.000 0.779 100 Q CB 1.539 30.237 28.738 -0.067 0.000 1.500 100 Q HN 0.136 8.316 8.270 -0.151 0.000 0.462 101 I N 3.401 123.907 120.570 -0.107 0.000 2.634 101 I HA -0.144 3.917 4.170 -0.182 0.000 0.284 101 I C -1.745 174.302 176.117 -0.118 0.000 1.124 101 I CA 0.097 61.312 61.300 -0.141 0.000 1.417 101 I CB 0.899 38.816 38.000 -0.138 0.000 1.396 101 I HN 0.253 8.415 8.210 -0.080 0.000 0.571 102 N N 7.414 126.044 118.700 -0.116 0.000 2.675 102 N HA 0.187 4.890 4.740 -0.060 0.000 0.254 102 N C -1.787 173.714 175.510 -0.014 0.000 1.224 102 N CA -0.600 52.415 53.050 -0.059 0.000 0.777 102 N CB 2.192 40.661 38.487 -0.031 0.000 1.256 102 N HN 0.365 8.667 8.380 -0.130 0.000 0.531 103 D N 1.396 121.756 120.400 -0.066 0.000 2.479 103 D HA -0.245 4.464 4.640 0.115 0.000 0.253 103 D C -0.479 175.927 176.300 0.177 0.000 1.278 103 D CA 0.537 54.567 54.000 0.050 0.000 1.145 103 D CB -1.194 39.590 40.800 -0.027 0.000 1.118 103 D HN 0.158 8.457 8.370 -0.118 0.000 0.513 104 K N 2.865 123.404 120.400 0.230 0.000 2.291 104 K HA 0.061 4.465 4.320 0.140 0.000 0.242 104 K C -1.414 175.333 176.600 0.244 0.000 1.098 104 K CA -0.671 55.724 56.287 0.181 0.000 1.036 104 K CB -0.104 32.469 32.500 0.122 0.000 1.655 104 K HN 0.195 8.681 8.250 0.285 -0.065 0.432 105 D N 3.494 124.039 120.400 0.242 0.000 2.652 105 D HA 0.186 5.124 4.640 0.498 0.000 0.285 105 D C -1.862 174.468 176.300 0.050 0.000 1.173 105 D CA -0.433 53.743 54.000 0.293 0.000 0.981 105 D CB 3.678 44.605 40.800 0.211 0.000 1.440 105 D HN -0.559 7.923 8.370 0.185 0.000 0.485 106 D N -0.578 119.697 120.400 -0.208 0.000 2.615 106 D HA 0.290 4.733 4.640 -0.328 0.000 0.274 106 D C 0.334 176.374 176.300 -0.433 0.000 1.512 106 D CA -0.133 53.519 54.000 -0.580 0.000 0.803 106 D CB 1.072 41.095 40.800 -1.294 0.000 1.182 106 D HN 0.198 8.601 8.370 0.056 0.000 0.473 107 T N 1.115 115.529 114.554 -0.234 0.000 2.422 107 T HA -0.577 3.904 4.350 -0.100 -0.191 0.175 107 T C 0.685 175.290 174.700 -0.158 0.000 1.638 107 T CA 3.117 65.101 62.100 -0.194 0.000 0.937 107 T CB -1.743 66.916 68.868 -0.348 0.000 0.798 107 T HN -0.196 8.192 8.240 -0.136 -0.230 0.473 108 N N 0.408 119.002 118.700 -0.177 0.000 2.202 108 N HA -0.211 4.473 4.740 -0.094 0.000 0.197 108 N C 0.411 175.846 175.510 -0.124 0.000 0.995 108 N CA 1.896 54.866 53.050 -0.132 0.000 0.894 108 N CB -0.190 38.216 38.487 -0.135 0.000 1.010 108 N HN 0.258 8.538 8.380 -0.190 -0.014 0.453 109 E N -4.407 115.664 120.200 -0.214 0.000 2.399 109 E HA 0.000 4.319 4.350 -0.052 0.000 0.205 109 E C -1.155 175.525 176.600 0.133 0.000 0.906 109 E CA 1.085 57.401 56.400 -0.141 0.000 0.998 109 E CB 1.162 30.674 29.700 -0.313 0.000 1.002 109 E HN 0.264 8.219 8.360 -0.349 0.195 0.501 110 Y N -4.537 115.736 120.300 -0.045 0.000 2.719 110 Y HA 0.198 4.730 4.550 -0.030 0.000 0.335 110 Y C 0.566 176.437 175.900 -0.048 0.000 1.198 110 Y CA -2.791 55.284 58.100 -0.042 0.000 1.274 110 Y CB 0.872 39.304 38.460 -0.045 0.000 1.500 110 Y HN -0.747 7.266 8.280 -0.198 0.148 0.616 111 K N -0.295 120.198 120.400 0.156 0.000 2.074 111 K HA -0.029 4.334 4.320 0.073 0.000 0.214 111 K C -0.329 176.327 176.600 0.093 0.000 1.029 111 K CA 0.796 57.135 56.287 0.087 0.000 0.966 111 K CB 0.653 33.188 32.500 0.059 0.000 0.945 111 K HN 0.288 8.631 8.250 0.155 0.000 0.453 112 H N -3.094 115.960 119.070 -0.026 0.000 3.770 112 H HA 0.114 4.798 4.556 -0.067 -0.167 0.497 112 H C -2.532 172.647 175.328 -0.248 0.000 1.702 112 H CA 0.015 56.003 56.048 -0.100 0.000 1.556 112 H CB -0.075 29.632 29.762 -0.092 0.000 2.677 112 H HN 0.151 8.480 8.280 0.081 0.000 0.710 113 A N 1.622 124.346 122.820 -0.161 0.000 2.612 113 A HA 0.553 4.416 4.320 -0.906 -0.087 0.293 113 A C -2.719 174.653 177.584 -0.353 0.000 1.075 113 A CA -0.579 51.189 52.037 -0.447 0.000 0.680 113 A CB 3.226 22.137 19.000 -0.148 0.000 1.279 113 A HN -0.940 7.593 8.150 -0.071 -0.425 0.411 114 F N -6.561 113.505 119.950 0.193 0.000 2.726 114 F HA 0.622 5.371 4.527 0.100 -0.162 0.324 114 F C -1.591 174.226 175.800 0.027 0.000 1.140 114 F CA -3.083 54.985 58.000 0.114 0.000 0.964 114 F CB 2.143 41.221 39.000 0.129 0.000 1.399 114 F HN 0.178 8.155 8.300 -0.537 0.000 0.491 115 E N -0.815 119.527 120.200 0.236 0.000 2.197 115 E HA 0.691 5.286 4.350 0.004 -0.242 0.281 115 E C -0.582 175.977 176.600 -0.068 0.000 0.995 115 E CA -1.577 54.846 56.400 0.040 0.000 0.808 115 E CB 1.386 31.089 29.700 0.006 0.000 1.093 115 E HN 0.023 8.525 8.360 0.236 0.000 0.394 116 I N 2.142 122.564 120.570 -0.247 0.000 2.382 116 I HA 0.211 4.209 4.170 -0.288 0.000 0.286 116 I C -1.048 174.859 176.117 -0.349 0.000 1.002 116 I CA -2.522 58.541 61.300 -0.395 0.000 1.135 116 I CB 0.596 38.081 38.000 -0.858 0.000 1.288 116 I HN 0.534 8.519 8.210 -0.276 0.059 0.448 117 I N 8.903 129.313 120.570 -0.268 0.000 2.316 117 I HA 0.050 4.224 4.170 -0.251 -0.154 0.286 117 I C -0.277 175.657 176.117 -0.304 0.000 1.107 117 I CA -0.330 60.825 61.300 -0.241 0.000 1.219 117 I CB -0.464 37.448 38.000 -0.147 0.000 1.455 117 I HN 0.626 8.604 8.210 -0.221 0.100 0.498 118 L N 3.348 124.279 121.223 -0.487 0.000 2.439 118 L HA 0.397 4.422 4.340 -0.525 0.000 0.259 118 L C -0.742 175.881 176.870 -0.411 0.000 1.129 118 L CA -1.940 52.466 54.840 -0.723 0.000 0.803 118 L CB 1.007 41.922 42.059 -1.907 0.000 1.161 118 L HN 0.179 8.101 8.230 -0.514 0.000 0.462 119 K N -0.392 119.880 120.400 -0.215 0.000 2.168 119 K HA -0.404 3.898 4.320 -0.030 0.000 0.244 119 K C 0.005 176.576 176.600 -0.048 0.000 1.065 119 K CA 2.291 58.566 56.287 -0.020 0.000 0.808 119 K CB 0.231 32.814 32.500 0.138 0.000 1.080 119 K HN -0.169 8.000 8.250 -0.134 0.000 0.526 120 D N -3.467 116.942 120.400 0.014 0.000 3.070 120 D HA -0.277 4.390 4.640 0.045 0.000 0.220 120 D C -1.548 174.730 176.300 -0.036 0.000 1.176 120 D CA 1.359 55.362 54.000 0.005 0.000 0.924 120 D CB -0.651 40.131 40.800 -0.030 0.000 1.124 120 D HN 0.073 8.473 8.370 0.050 0.000 0.411 121 E N -3.264 116.903 120.200 -0.056 0.000 2.513 121 E HA -0.478 3.825 4.350 -0.079 0.000 0.156 121 E C -2.032 174.514 176.600 -0.090 0.000 1.740 121 E CA 1.493 57.853 56.400 -0.067 0.000 0.646 121 E CB -1.254 28.424 29.700 -0.036 0.000 1.080 121 E HN 0.069 8.338 8.360 -0.053 0.059 0.345 122 N N 2.583 121.197 118.700 -0.144 0.000 2.455 122 N HA 0.217 4.890 4.740 -0.110 0.000 0.285 122 N C -2.517 172.870 175.510 -0.204 0.000 1.080 122 N CA -0.397 52.560 53.050 -0.155 0.000 0.932 122 N CB 4.361 42.748 38.487 -0.167 0.000 1.610 122 N HN -0.399 7.872 8.380 -0.181 0.000 0.493 123 S N 4.618 120.224 115.700 -0.157 0.000 2.525 123 S HA 0.870 5.448 4.470 -0.220 -0.240 0.290 123 S C -0.555 173.942 174.600 -0.170 0.000 1.152 123 S CA -1.186 56.911 58.200 -0.171 0.000 1.072 123 S CB 1.733 64.864 63.200 -0.115 0.000 1.027 123 S HN 0.106 8.346 8.310 -0.117 0.000 0.500 124 V N 2.566 122.337 119.914 -0.237 0.000 3.164 124 V HA 0.382 4.434 4.120 -0.113 0.000 0.313 124 V C -0.983 175.010 176.094 -0.168 0.000 1.188 124 V CA -2.420 59.749 62.300 -0.218 0.000 1.058 124 V CB 2.812 34.420 31.823 -0.358 0.000 1.110 124 V HN 0.696 8.660 8.190 -0.296 0.049 0.453 125 I N 0.112 120.655 120.570 -0.045 0.000 2.714 125 I HA 0.429 4.912 4.170 0.038 -0.291 0.276 125 I C -1.086 175.175 176.117 0.239 0.000 1.196 125 I CA -0.773 60.560 61.300 0.055 0.000 1.068 125 I CB 0.703 38.724 38.000 0.034 0.000 1.291 125 I HN 0.092 8.324 8.210 0.037 0.000 0.530 126 F N 5.131 125.170 119.950 0.149 0.000 2.444 126 F HA 0.368 5.100 4.527 0.080 -0.156 0.331 126 F C 0.270 176.029 175.800 -0.067 0.000 1.167 126 F CA -1.958 56.134 58.000 0.153 0.000 1.262 126 F CB 1.286 40.577 39.000 0.485 0.000 1.196 126 F HN -0.253 8.204 8.300 0.262 0.000 0.583 127 S N -0.244 115.606 115.700 0.249 0.000 2.746 127 S HA 0.261 4.741 4.470 -0.228 -0.146 0.273 127 S C -1.282 173.461 174.600 0.239 0.000 1.172 127 S CA -0.709 57.524 58.200 0.055 0.000 1.116 127 S CB 0.761 63.986 63.200 0.041 0.000 1.057 127 S HN -0.619 7.971 8.310 0.314 -0.091 0.483 128 A N 5.883 128.642 122.820 -0.101 0.000 2.299 128 A HA 0.296 4.340 4.320 -0.460 0.000 0.332 128 A C -1.275 175.762 177.584 -0.911 0.000 1.131 128 A CA -1.507 50.092 52.037 -0.729 0.000 0.844 128 A CB 2.338 20.370 19.000 -1.614 0.000 1.251 128 A HN 0.416 8.369 8.150 -0.328 0.000 0.486 129 K N -2.522 117.420 120.400 -0.764 0.000 2.520 129 K HA 0.067 3.774 4.320 -1.023 0.000 0.206 129 K C -1.213 175.119 176.600 -0.447 0.000 1.122 129 K CA -0.222 55.680 56.287 -0.641 0.000 1.045 129 K CB 1.358 33.683 32.500 -0.291 0.000 0.932 129 K HN 0.194 8.046 8.250 -0.663 0.000 0.571 130 S N 0.558 115.956 115.700 -0.504 0.000 2.640 130 S HA 0.227 4.571 4.470 -0.209 0.000 0.320 130 S C -0.099 174.332 174.600 -0.282 0.000 1.097 130 S CA -1.696 56.314 58.200 -0.317 0.000 1.092 130 S CB 0.940 63.975 63.200 -0.275 0.000 0.988 130 S HN -0.417 7.463 8.310 -0.716 0.000 0.470 131 A N 8.121 130.864 122.820 -0.129 0.000 1.971 131 A HA -0.389 3.933 4.320 0.003 0.000 0.222 131 A C 1.907 179.435 177.584 -0.094 0.000 1.182 131 A CA 3.342 55.346 52.037 -0.055 0.000 0.649 131 A CB -0.518 18.474 19.000 -0.014 0.000 0.818 131 A HN 0.833 8.931 8.150 -0.088 0.000 0.458 132 E N -2.167 117.963 120.200 -0.117 0.000 2.046 132 E HA -0.235 4.078 4.350 -0.063 0.000 0.190 132 E C 2.494 178.998 176.600 -0.160 0.000 0.982 132 E CA 3.204 59.545 56.400 -0.098 0.000 0.800 132 E CB -0.661 29.001 29.700 -0.063 0.000 0.756 132 E HN 0.428 8.706 8.360 -0.117 0.012 0.449 133 E N -0.996 119.011 120.200 -0.322 0.000 2.085 133 E HA -0.306 3.893 4.350 -0.253 0.000 0.194 133 E C 2.396 178.470 176.600 -0.876 0.000 0.994 133 E CA 2.932 58.931 56.400 -0.670 0.000 0.801 133 E CB -0.683 28.392 29.700 -1.042 0.000 0.743 133 E HN -0.605 7.480 8.360 -0.317 0.085 0.453 134 K N -0.909 119.129 120.400 -0.604 0.000 2.063 134 K HA -0.336 3.949 4.320 -0.058 0.000 0.208 134 K C 2.402 178.966 176.600 -0.060 0.000 1.048 134 K CA 3.104 59.288 56.287 -0.173 0.000 0.928 134 K CB -0.615 31.947 32.500 0.104 0.000 0.713 134 K HN 0.505 8.335 8.250 -0.518 0.109 0.442 135 N N -0.859 117.800 118.700 -0.068 0.000 2.207 135 N HA -0.207 4.510 4.740 -0.037 0.000 0.182 135 N C 1.983 177.501 175.510 0.013 0.000 1.020 135 N CA 2.917 55.950 53.050 -0.029 0.000 0.858 135 N CB 0.403 38.874 38.487 -0.027 0.000 0.991 135 N HN -0.540 7.683 8.380 -0.105 0.095 0.427 136 N N 0.037 118.761 118.700 0.041 0.000 2.457 136 N HA -0.095 4.689 4.740 0.074 0.000 0.180 136 N C 2.520 178.196 175.510 0.277 0.000 1.050 136 N CA 2.901 56.025 53.050 0.124 0.000 0.906 136 N CB -0.047 38.521 38.487 0.134 0.000 0.968 136 N HN 0.720 8.885 8.380 -0.019 0.203 0.445 137 W N -0.389 120.905 121.300 -0.010 0.000 2.443 137 W HA -0.062 4.612 4.660 0.023 0.000 0.296 137 W C 1.979 178.483 176.519 -0.025 0.000 1.202 137 W CA 2.524 59.877 57.345 0.014 0.000 1.312 137 W CB -0.626 28.888 29.460 0.090 0.000 1.120 137 W HN 0.674 8.766 8.180 0.271 0.251 0.536 138 M N -2.864 116.802 119.600 0.110 0.000 2.334 138 M HA -0.015 4.446 4.480 -0.032 0.000 0.266 138 M C 1.750 178.020 176.300 -0.050 0.000 1.082 138 M CA 2.950 58.227 55.300 -0.038 0.000 1.141 138 M CB -0.340 32.168 32.600 -0.153 0.000 1.380 138 M HN -0.333 8.009 8.290 0.086 0.000 0.440 139 A N -0.298 122.504 122.820 -0.030 0.000 1.898 139 A HA -0.394 3.838 4.320 -0.146 0.000 0.216 139 A C 1.485 179.030 177.584 -0.066 0.000 1.181 139 A CA 2.910 54.903 52.037 -0.075 0.000 0.620 139 A CB -0.805 18.172 19.000 -0.037 0.000 0.819 139 A HN 0.864 8.892 8.150 0.009 0.128 0.442 140 A N -1.793 121.035 122.820 0.014 0.000 1.877 140 A HA -0.329 4.002 4.320 0.018 0.000 0.216 140 A C 1.819 179.415 177.584 0.021 0.000 1.186 140 A CA 2.944 55.000 52.037 0.032 0.000 0.620 140 A CB -0.598 18.448 19.000 0.076 0.000 0.822 140 A HN -0.489 7.581 8.150 0.061 0.117 0.443 141 L N -1.102 120.141 121.223 0.032 0.000 2.027 141 L HA -0.243 4.152 4.340 0.092 0.000 0.206 141 L C 2.151 179.004 176.870 -0.029 0.000 1.074 141 L CA 3.616 58.481 54.840 0.043 0.000 0.745 141 L CB 0.331 42.425 42.059 0.059 0.000 0.898 141 L HN -0.790 7.468 8.230 0.047 0.000 0.433 142 I N -1.604 118.887 120.570 -0.132 0.000 2.756 142 I HA -0.149 4.102 4.170 -0.189 -0.195 0.262 142 I C 3.041 178.877 176.117 -0.468 0.000 1.225 142 I CA 0.822 61.928 61.300 -0.322 0.000 1.472 142 I CB -1.795 35.939 38.000 -0.444 0.000 1.094 142 I HN 0.662 8.674 8.210 -0.122 0.126 0.454 143 S N 0.787 116.348 115.700 -0.233 0.000 2.345 143 S HA -0.222 4.132 4.470 -0.193 0.000 0.220 143 S C 2.138 176.760 174.600 0.036 0.000 1.031 143 S CA 3.134 61.266 58.200 -0.113 0.000 0.996 143 S CB -0.216 62.962 63.200 -0.036 0.000 0.882 143 S HN -0.201 7.841 8.310 -0.144 0.182 0.445 144 L N 0.343 121.596 121.223 0.050 0.000 2.007 144 L HA -0.211 4.186 4.340 0.095 0.000 0.205 144 L C 2.076 179.024 176.870 0.130 0.000 1.073 144 L CA 2.917 57.813 54.840 0.094 0.000 0.744 144 L CB -0.385 41.731 42.059 0.094 0.000 0.898 144 L HN -0.695 7.554 8.230 0.032 0.000 0.435 145 Q N -1.351 118.522 119.800 0.122 0.000 2.290 145 Q HA -0.388 4.030 4.340 0.130 0.000 0.211 145 Q C 2.723 178.870 176.000 0.245 0.000 0.991 145 Q CA 3.240 59.132 55.803 0.149 0.000 0.893 145 Q CB -0.744 28.061 28.738 0.112 0.000 0.913 145 Q HN 0.079 8.403 8.270 0.090 0.000 0.428 146 Y N 0.183 120.502 120.300 0.032 0.000 2.373 146 Y HA -0.151 4.410 4.550 0.019 0.000 0.293 146 Y C 1.499 177.413 175.900 0.024 0.000 1.129 146 Y CA 0.938 59.052 58.100 0.024 0.000 1.226 146 Y CB -0.182 38.292 38.460 0.023 0.000 1.000 146 Y HN -0.678 7.624 8.280 0.288 0.151 0.549 147 R N -1.497 119.114 120.500 0.185 0.000 2.319 147 R HA -0.055 4.335 4.340 0.084 0.000 0.204 147 R C 0.480 176.825 176.300 0.075 0.000 0.954 147 R CA 1.342 57.504 56.100 0.104 0.000 1.066 147 R CB -0.208 30.148 30.300 0.092 0.000 0.991 147 R HN 0.675 8.894 8.270 0.196 0.169 0.486 148 S N -2.111 113.639 115.700 0.083 0.000 2.602 148 S HA 0.102 4.606 4.470 0.057 0.000 0.246 148 S C -0.506 174.116 174.600 0.036 0.000 1.009 148 S CA 0.888 59.126 58.200 0.062 0.000 1.052 148 S CB 0.020 63.265 63.200 0.075 0.000 0.778 148 S HN -0.614 7.561 8.310 0.113 0.204 0.455 149 T N -0.570 113.995 114.554 0.019 0.000 3.538 149 T HA -0.051 4.298 4.350 -0.000 0.000 0.291 149 T C -0.921 173.766 174.700 -0.021 0.000 0.851 149 T CA 1.068 63.164 62.100 -0.006 0.000 0.957 149 T CB 0.769 69.624 68.868 -0.021 0.000 1.163 149 T HN -0.327 7.836 8.240 0.023 0.091 0.624 150 L N -0.255 120.951 121.223 -0.028 0.000 2.693 150 L HA 0.543 4.863 4.340 -0.033 0.000 0.253 150 L C -0.743 176.125 176.870 -0.003 0.000 1.155 150 L CA -1.110 53.709 54.840 -0.034 0.000 1.026 150 L CB 1.142 43.152 42.059 -0.082 0.000 1.817 150 L HN -0.588 7.630 8.230 -0.020 0.000 0.556 151 E N 0.000 120.199 120.200 -0.001 0.000 2.725 151 E HA 0.000 4.357 4.350 0.011 0.000 0.291 151 E CA 0.000 56.409 56.400 0.014 0.000 0.976 151 E CB 0.000 29.720 29.700 0.034 0.000 0.812 151 E HN 0.000 8.353 8.360 -0.012 0.000 0.440