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 2tmp_3_A DATA FIRST_RESID 1 DATA SEQUENCE cScSPVHPQQ AFcNADVVIR TKAVSEKEVD SGNDIYGNPI KRIQYEIKQI DATA SEQUENCE KMFKGPEKDI EFIYTAPSSA VcGVSLDVGG KKEYLIAGKA EGDGKMHITL DATA SEQUENCE cDFIVPWDTL STTQKKSLNH RYQMGcE 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 c HA 0.000 4.564 4.570 -0.010 0.000 0.325 1 c C 0.000 174.080 174.090 -0.017 0.000 1.270 1 c CA 0.000 56.319 56.329 -0.017 0.000 1.963 1 c CB 0.000 42.492 42.510 -0.029 0.000 2.134 2 S N -0.140 115.554 115.700 -0.010 0.000 3.257 2 S HA -0.516 3.951 4.470 -0.004 0.000 0.300 2 S C -0.263 174.334 174.600 -0.005 0.000 1.275 2 S CA 1.623 59.817 58.200 -0.010 0.000 1.023 2 S CB -1.778 61.407 63.200 -0.024 0.000 1.180 2 S HN 1.126 9.305 8.310 -0.005 0.128 0.660 3 c N 0.790 119.392 118.600 0.004 0.000 2.820 3 c HA -0.154 4.419 4.570 0.005 0.000 0.359 3 c C 0.716 174.813 174.090 0.010 0.000 1.357 3 c CA 0.751 57.087 56.329 0.012 0.000 2.197 3 c CB 0.553 43.081 42.510 0.031 0.000 2.569 3 c HN -0.030 8.131 8.230 0.006 0.073 0.753 4 S N 2.958 118.661 115.700 0.005 0.000 2.420 4 S HA 0.237 4.698 4.470 -0.014 0.000 0.313 4 S C -2.339 172.231 174.600 -0.049 0.000 1.079 4 S CA -1.903 56.285 58.200 -0.019 0.000 1.104 4 S CB 0.506 63.688 63.200 -0.031 0.000 0.969 4 S HN 0.214 8.531 8.310 0.011 0.000 0.471 5 P HA 0.120 4.509 4.420 -0.053 0.000 0.276 5 P C -1.725 175.452 177.300 -0.205 0.000 1.243 5 P CA -0.203 62.858 63.100 -0.066 0.000 0.768 5 P CB 0.705 32.422 31.700 0.028 0.000 0.856 6 V N 5.213 124.793 119.914 -0.557 0.000 5.798 6 V HA 0.153 4.127 4.120 -0.243 0.000 0.309 6 V C -1.368 174.364 176.094 -0.602 0.000 1.652 6 V CA -2.119 59.870 62.300 -0.518 0.000 0.731 6 V CB 1.776 33.352 31.823 -0.411 0.000 1.366 6 V HN -0.315 7.263 8.190 -1.020 0.000 0.422 7 H N -2.493 116.574 119.070 -0.004 0.000 2.425 7 H HA -0.108 4.423 4.556 -0.041 0.000 0.304 7 H C -1.844 173.452 175.328 -0.053 0.000 0.891 7 H CA -0.470 55.562 56.048 -0.026 0.000 0.999 7 H CB -1.709 28.048 29.762 -0.007 0.000 1.601 7 H HN 0.027 8.128 8.280 -0.299 0.000 0.319 8 P HA 0.076 4.558 4.420 -0.062 -0.100 0.242 8 P C -1.214 175.934 177.300 -0.253 0.000 1.197 8 P CA 1.072 64.112 63.100 -0.101 0.000 0.765 8 P CB 0.467 32.099 31.700 -0.115 0.000 0.936 9 Q N -4.023 115.675 119.800 -0.171 0.000 2.506 9 Q HA -0.010 4.050 4.340 -0.467 0.000 0.239 9 Q C 1.138 177.063 176.000 -0.125 0.000 0.782 9 Q CA 1.245 56.895 55.803 -0.256 0.000 0.972 9 Q CB 0.704 29.303 28.738 -0.232 0.000 1.304 9 Q HN -0.033 8.123 8.270 -0.049 0.085 0.534 10 Q N -0.717 119.060 119.800 -0.038 0.000 2.541 10 Q HA -0.229 4.084 4.340 -0.046 0.000 0.215 10 Q C 0.837 176.786 176.000 -0.084 0.000 0.977 10 Q CA 2.311 58.093 55.803 -0.036 0.000 0.934 10 Q CB -0.710 28.026 28.738 -0.003 0.000 0.988 10 Q HN 0.451 8.724 8.270 0.005 0.000 0.521 11 A N -0.851 121.942 122.820 -0.045 0.000 1.935 11 A HA -0.076 4.183 4.320 -0.102 0.000 0.214 11 A C 0.618 178.113 177.584 -0.149 0.000 1.178 11 A CA 2.433 54.423 52.037 -0.079 0.000 0.640 11 A CB -0.077 18.916 19.000 -0.013 0.000 0.825 11 A HN -0.499 7.564 8.150 -0.005 0.084 0.447 12 F N -4.549 115.040 119.950 -0.601 0.000 2.797 12 F HA 0.154 4.718 4.527 0.062 0.000 0.302 12 F C 0.287 176.067 175.800 -0.033 0.000 1.130 12 F CA 0.422 58.245 58.000 -0.294 0.000 1.387 12 F CB -0.577 38.184 39.000 -0.399 0.000 1.107 12 F HN -0.551 7.726 8.300 0.130 0.100 0.577 13 c N -3.949 114.713 118.600 0.103 0.000 3.230 13 c HA 0.005 4.625 4.570 0.083 0.000 0.300 13 c C -0.016 174.109 174.090 0.059 0.000 1.292 13 c CA 0.028 56.395 56.329 0.063 0.000 1.707 13 c CB -0.084 42.431 42.510 0.008 0.000 2.181 13 c HN -0.431 7.638 8.230 0.050 0.191 0.655 14 N N -1.307 117.428 118.700 0.059 0.000 2.439 14 N HA 0.058 4.816 4.740 0.031 0.000 0.176 14 N C -0.177 175.389 175.510 0.092 0.000 1.029 14 N CA 1.576 54.651 53.050 0.042 0.000 0.886 14 N CB 1.605 40.074 38.487 -0.030 0.000 1.057 14 N HN -0.550 7.752 8.380 0.062 0.115 0.437 15 A N -1.066 121.851 122.820 0.161 0.000 2.433 15 A HA -0.246 4.115 4.320 0.096 0.017 0.250 15 A C -1.080 176.583 177.584 0.131 0.000 1.113 15 A CA 1.417 53.544 52.037 0.150 0.000 0.794 15 A CB 0.336 19.471 19.000 0.224 0.000 1.067 15 A HN -0.550 7.733 8.150 0.223 0.000 0.510 16 D N -2.975 117.478 120.400 0.089 0.000 2.583 16 D HA 0.174 4.903 4.640 0.148 0.000 0.282 16 D C -1.845 174.486 176.300 0.052 0.000 1.485 16 D CA 0.347 54.402 54.000 0.093 0.000 0.834 16 D CB 2.208 43.050 40.800 0.071 0.000 1.258 16 D HN -0.034 8.274 8.370 0.047 0.090 0.470 17 V N -0.034 119.897 119.914 0.029 0.000 3.063 17 V HA 0.306 4.678 4.120 0.028 -0.236 0.249 17 V C -2.420 173.655 176.094 -0.031 0.000 0.908 17 V CA -0.869 61.436 62.300 0.009 0.000 0.966 17 V CB 0.967 32.790 31.823 0.001 0.000 1.015 17 V HN -0.480 7.719 8.190 0.015 0.000 0.512 18 V N 10.431 130.353 119.914 0.013 0.000 2.370 18 V HA 0.732 5.124 4.120 -0.159 -0.367 0.279 18 V C -0.729 175.435 176.094 0.116 0.000 1.029 18 V CA -1.855 60.446 62.300 0.001 0.000 0.870 18 V CB 0.112 31.964 31.823 0.047 0.000 0.984 18 V HN 0.751 8.843 8.190 0.070 0.140 0.451 19 I N 1.653 122.260 120.570 0.062 0.000 2.610 19 I HA 0.436 4.697 4.170 -0.014 -0.100 0.289 19 I C -0.961 175.117 176.117 -0.064 0.000 1.163 19 I CA -1.666 59.633 61.300 -0.002 0.000 1.044 19 I CB 3.488 41.469 38.000 -0.032 0.000 1.251 19 I HN 0.891 8.983 8.210 0.008 0.122 0.424 20 R N 5.713 126.056 120.500 -0.261 0.000 3.385 20 R HA -0.057 4.297 4.340 -0.232 -0.153 0.236 20 R C -0.106 175.913 176.300 -0.468 0.000 1.663 20 R CA -0.390 55.453 56.100 -0.428 0.000 1.444 20 R CB -2.003 27.749 30.300 -0.912 0.000 1.218 20 R HN 0.512 8.548 8.270 -0.391 0.000 0.575 21 T N 2.156 116.468 114.554 -0.405 0.000 2.734 21 T HA -0.167 4.053 4.350 -0.375 -0.094 0.314 21 T C -1.316 172.923 174.700 -0.770 0.000 1.057 21 T CA 0.451 62.270 62.100 -0.469 0.000 1.047 21 T CB 1.316 70.003 68.868 -0.301 0.000 0.991 21 T HN -0.000 7.956 8.240 -0.257 0.130 0.540 22 K N 0.301 120.359 120.400 -0.570 0.000 2.413 22 K HA 0.438 4.327 4.320 -0.718 0.000 0.257 22 K C -2.174 174.184 176.600 -0.403 0.000 0.946 22 K CA -1.915 54.056 56.287 -0.527 0.000 0.823 22 K CB 2.186 34.503 32.500 -0.306 0.000 1.109 22 K HN 0.173 8.182 8.250 -0.401 0.000 0.427 23 A N 5.572 128.160 122.820 -0.386 0.000 2.391 23 A HA 0.112 4.366 4.320 -0.110 0.000 0.316 23 A C -1.440 176.125 177.584 -0.032 0.000 1.381 23 A CA -0.272 51.698 52.037 -0.111 0.000 0.998 23 A CB -0.248 18.775 19.000 0.038 0.000 1.147 23 A HN 0.714 8.556 8.150 -0.513 0.000 0.545 24 V N -2.454 117.430 119.914 -0.049 0.000 3.212 24 V HA 0.455 4.833 4.120 -0.009 -0.264 0.244 24 V C -0.061 176.028 176.094 -0.009 0.000 1.151 24 V CA -0.381 61.902 62.300 -0.029 0.000 1.119 24 V CB 1.587 33.378 31.823 -0.054 0.000 0.838 24 V HN -0.211 7.929 8.190 -0.084 0.000 0.470 25 S N 0.365 116.046 115.700 -0.031 0.000 2.689 25 S HA 0.174 4.638 4.470 -0.011 0.000 0.306 25 S C -1.120 173.469 174.600 -0.019 0.000 1.104 25 S CA -1.567 56.612 58.200 -0.034 0.000 0.973 25 S CB 1.566 64.722 63.200 -0.073 0.000 1.121 25 S HN -0.556 7.716 8.310 -0.063 0.000 0.523 26 E N -0.309 119.878 120.200 -0.021 0.000 2.421 26 E HA 0.151 4.611 4.350 -0.043 -0.135 0.265 26 E C -1.853 174.737 176.600 -0.017 0.000 0.990 26 E CA -0.509 55.873 56.400 -0.030 0.000 0.874 26 E CB 3.803 33.481 29.700 -0.037 0.000 1.646 26 E HN -0.055 8.295 8.360 -0.017 0.000 0.451 27 K N -0.814 119.562 120.400 -0.039 0.000 2.616 27 K HA 0.092 4.413 4.320 0.001 0.000 0.255 27 K C -1.971 174.591 176.600 -0.063 0.000 0.995 27 K CA -0.201 56.077 56.287 -0.014 0.000 0.860 27 K CB 2.389 34.926 32.500 0.063 0.000 1.264 27 K HN 0.105 8.387 8.250 -0.097 -0.090 0.451 28 E N 7.708 127.882 120.200 -0.044 0.000 1.858 28 E HA -0.018 4.291 4.350 -0.069 0.000 0.267 28 E C -1.155 175.422 176.600 -0.038 0.000 1.215 28 E CA -0.351 56.020 56.400 -0.047 0.000 0.952 28 E CB 0.018 29.700 29.700 -0.030 0.000 1.058 28 E HN 0.393 8.738 8.360 -0.025 0.000 0.407 29 V N 3.044 122.926 119.914 -0.053 0.000 2.350 29 V HA 0.283 4.392 4.120 -0.019 0.000 0.276 29 V C -0.974 175.115 176.094 -0.008 0.000 1.028 29 V CA -2.945 59.337 62.300 -0.030 0.000 0.860 29 V CB 1.322 33.119 31.823 -0.044 0.000 0.990 29 V HN -0.339 7.802 8.190 -0.081 0.000 0.453 30 D N 7.499 127.900 120.400 0.002 0.000 2.378 30 D HA -0.099 4.545 4.640 0.006 0.000 0.238 30 D C -0.399 175.917 176.300 0.026 0.000 1.180 30 D CA 1.983 55.990 54.000 0.011 0.000 0.895 30 D CB 2.147 42.953 40.800 0.010 0.000 1.192 30 D HN 0.513 8.884 8.370 0.001 0.000 0.438 31 S N -0.329 115.387 115.700 0.028 0.000 3.067 31 S HA -0.028 4.469 4.470 0.045 0.000 0.253 31 S C -0.764 173.855 174.600 0.030 0.000 0.942 31 S CA -0.624 57.599 58.200 0.038 0.000 1.197 31 S CB 0.836 64.066 63.200 0.049 0.000 1.143 31 S HN 0.366 8.689 8.310 0.021 0.000 0.638 32 G N 0.788 109.602 108.800 0.024 0.000 2.855 32 G HA2 -0.336 3.635 3.960 0.018 0.000 0.352 32 G HA3 -0.336 3.637 3.960 0.022 0.000 0.352 32 G C -2.232 172.682 174.900 0.024 0.000 1.415 32 G CA -0.517 44.596 45.100 0.022 0.000 0.871 32 G HN -0.482 7.821 8.290 0.021 0.000 0.543 33 N N -0.352 118.363 118.700 0.024 0.000 2.445 33 N HA 0.358 5.184 4.740 0.034 -0.066 0.264 33 N C -0.768 174.765 175.510 0.038 0.000 1.227 33 N CA 0.221 53.290 53.050 0.032 0.000 0.963 33 N CB 1.001 39.504 38.487 0.027 0.000 1.188 33 N HN 0.252 8.645 8.380 0.021 0.000 0.491 34 D N -0.386 120.048 120.400 0.056 0.000 2.496 34 D HA 0.137 4.803 4.640 0.043 0.000 0.283 34 D C 1.838 178.184 176.300 0.076 0.000 1.214 34 D CA -1.117 52.920 54.000 0.062 0.000 1.089 34 D CB 1.561 42.404 40.800 0.072 0.000 1.141 34 D HN 0.697 9.134 8.370 0.069 -0.025 0.580 35 I N 0.182 120.806 120.570 0.090 0.000 3.564 35 I HA -0.154 4.056 4.170 0.067 0.000 0.294 35 I C -0.061 176.157 176.117 0.169 0.000 1.289 35 I CA 1.275 62.634 61.300 0.097 0.000 1.325 35 I CB -0.403 37.643 38.000 0.077 0.000 1.039 35 I HN 0.182 8.440 8.210 0.080 0.000 0.474 36 Y N 0.098 120.398 120.300 0.001 0.000 2.467 36 Y HA 0.149 4.700 4.550 0.001 0.000 0.250 36 Y C 0.453 176.354 175.900 0.001 0.000 1.155 36 Y CA -0.350 57.750 58.100 0.001 0.000 1.249 36 Y CB 0.476 38.937 38.460 0.001 0.000 1.146 36 Y HN -0.405 8.059 8.280 0.236 -0.042 0.524 37 G N -0.734 108.101 108.800 0.057 0.000 2.199 37 G HA2 -0.480 3.484 3.960 0.007 0.000 0.254 37 G HA3 -0.480 3.448 3.960 -0.053 0.000 0.254 37 G C -1.283 173.636 174.900 0.033 0.000 0.982 37 G CA -0.024 45.078 45.100 0.003 0.000 0.632 37 G HN -0.434 7.746 8.290 0.089 0.163 0.529 38 N N -0.110 118.647 118.700 0.096 0.000 2.503 38 N HA 0.153 4.933 4.740 0.066 0.000 0.267 38 N C -2.446 173.102 175.510 0.063 0.000 1.214 38 N CA -2.566 50.541 53.050 0.094 0.000 0.959 38 N CB -0.590 37.991 38.487 0.156 0.000 1.142 38 N HN -0.069 8.328 8.380 0.170 0.086 0.455 39 P HA 0.114 4.661 4.420 0.029 -0.110 0.276 39 P C -0.715 176.602 177.300 0.028 0.000 1.243 39 P CA -0.413 62.706 63.100 0.030 0.000 0.768 39 P CB 0.751 32.463 31.700 0.021 0.000 0.856 40 I N 5.048 125.634 120.570 0.025 0.000 2.087 40 I HA -0.324 3.858 4.170 0.020 0.000 0.231 40 I C 0.116 176.240 176.117 0.012 0.000 1.058 40 I CA 2.808 64.120 61.300 0.020 0.000 1.328 40 I CB 0.260 38.273 38.000 0.023 0.000 1.079 40 I HN 0.758 8.837 8.210 0.026 0.146 0.397 41 K N -3.191 117.217 120.400 0.013 0.000 7.179 41 K HA -0.388 4.089 4.320 0.005 -0.154 0.702 41 K C -1.628 174.970 176.600 -0.003 0.000 2.556 41 K CA 1.146 57.434 56.287 0.002 0.000 1.884 41 K CB -0.538 31.958 32.500 -0.007 0.000 2.172 41 K HN -0.101 8.236 8.250 0.020 -0.076 0.261 42 R N 3.700 124.198 120.500 -0.003 0.000 2.681 42 R HA 0.314 4.766 4.340 -0.016 -0.122 0.277 42 R C -0.917 175.323 176.300 -0.100 0.000 1.563 42 R CA -1.884 54.214 56.100 -0.004 0.000 1.673 42 R CB 0.028 30.397 30.300 0.116 0.000 1.258 42 R HN 0.205 8.473 8.270 -0.003 0.000 0.650 43 I N 2.214 122.700 120.570 -0.140 0.000 3.160 43 I HA -0.358 3.923 4.170 -0.158 -0.206 0.311 43 I C 0.079 175.993 176.117 -0.339 0.000 1.218 43 I CA 1.815 62.990 61.300 -0.208 0.000 1.440 43 I CB 0.697 38.575 38.000 -0.204 0.000 1.310 43 I HN -0.014 8.131 8.210 -0.109 0.000 0.575 44 Q N 3.371 122.985 119.800 -0.311 0.000 2.171 44 Q HA 0.306 4.435 4.340 -0.503 -0.091 0.217 44 Q C 0.239 176.074 176.000 -0.274 0.000 0.995 44 Q CA -1.539 54.068 55.803 -0.327 0.000 0.979 44 Q CB 1.650 30.311 28.738 -0.128 0.000 1.152 44 Q HN 0.432 8.512 8.270 -0.209 0.065 0.525 45 Y N -0.851 119.401 120.300 -0.081 0.000 2.490 45 Y HA 0.200 4.715 4.550 -0.058 0.000 0.346 45 Y C -0.816 174.936 175.900 -0.247 0.000 1.023 45 Y CA -2.316 55.740 58.100 -0.073 0.000 1.142 45 Y CB 0.650 39.134 38.460 0.040 0.000 1.126 45 Y HN -0.027 8.296 8.280 0.071 0.000 0.647 46 E N 4.677 124.707 120.200 -0.285 0.000 2.574 46 E HA -0.115 3.591 4.350 -1.359 -0.171 0.306 46 E C 0.619 177.014 176.600 -0.342 0.000 1.166 46 E CA -0.203 55.776 56.400 -0.701 0.000 1.263 46 E CB -1.336 27.989 29.700 -0.626 0.000 1.078 46 E HN 0.319 8.512 8.360 -0.180 0.059 0.481 47 I N -1.946 118.480 120.570 -0.240 0.000 3.363 47 I HA 0.047 4.226 4.170 -0.164 -0.107 0.234 47 I C 0.171 176.172 176.117 -0.192 0.000 1.263 47 I CA 0.290 61.480 61.300 -0.184 0.000 0.921 47 I CB 0.784 38.679 38.000 -0.175 0.000 1.614 47 I HN 0.694 8.733 8.210 -0.209 0.045 0.879 48 K N -1.568 118.724 120.400 -0.181 0.000 2.447 48 K HA 0.213 4.645 4.320 -0.126 -0.187 0.205 48 K C -1.234 175.281 176.600 -0.141 0.000 1.059 48 K CA -1.767 54.433 56.287 -0.144 0.000 1.065 48 K CB 1.794 34.217 32.500 -0.130 0.000 0.885 48 K HN 0.091 8.126 8.250 -0.217 0.085 0.545 49 Q N -2.495 117.208 119.800 -0.162 0.000 2.744 49 Q HA -0.331 3.899 4.340 -0.184 0.000 0.143 49 Q C -0.614 175.285 176.000 -0.168 0.000 1.449 49 Q CA 1.627 57.337 55.803 -0.155 0.000 0.564 49 Q CB -1.379 27.301 28.738 -0.096 0.000 0.704 49 Q HN -0.517 7.593 8.270 -0.180 0.052 0.316 50 I N -3.270 117.166 120.570 -0.223 0.000 3.883 50 I HA 0.084 4.146 4.170 -0.179 0.000 0.305 50 I C -1.383 174.579 176.117 -0.258 0.000 1.247 50 I CA -0.108 61.055 61.300 -0.228 0.000 1.350 50 I CB 2.012 39.859 38.000 -0.255 0.000 1.194 50 I HN 0.147 8.196 8.210 -0.268 0.000 0.441 51 K N -1.808 118.407 120.400 -0.308 0.000 2.533 51 K HA 0.208 4.359 4.320 -0.281 0.000 0.272 51 K C -2.162 174.273 176.600 -0.274 0.000 0.985 51 K CA -0.941 55.138 56.287 -0.348 0.000 0.876 51 K CB 3.603 35.766 32.500 -0.561 0.000 1.452 51 K HN -0.680 7.382 8.250 -0.313 0.000 0.439 52 M N -0.620 118.841 119.600 -0.233 0.000 2.850 52 M HA 0.353 4.779 4.480 -0.090 0.000 0.288 52 M C -1.048 175.242 176.300 -0.016 0.000 1.450 52 M CA -0.558 54.679 55.300 -0.105 0.000 0.555 52 M CB -0.101 32.461 32.600 -0.063 0.000 1.507 52 M HN 0.141 8.276 8.290 -0.258 0.000 0.415 53 F N 4.040 123.965 119.950 -0.041 0.000 2.052 53 F HA -0.402 4.144 4.527 0.032 0.000 0.297 53 F C 0.655 176.484 175.800 0.048 0.000 1.166 53 F CA 3.347 61.361 58.000 0.024 0.000 1.218 53 F CB -0.143 38.892 39.000 0.058 0.000 0.943 53 F HN 0.113 8.355 8.300 -0.096 0.000 0.521 54 K N 0.210 120.786 120.400 0.293 0.000 2.762 54 K HA 0.198 4.611 4.320 0.156 0.000 0.180 54 K C -1.301 175.358 176.600 0.099 0.000 1.067 54 K CA -1.260 55.134 56.287 0.179 0.000 0.973 54 K CB -0.400 32.227 32.500 0.211 0.000 1.290 54 K HN 0.032 8.336 8.250 0.309 0.131 0.604 55 G N 2.584 111.421 108.800 0.061 0.000 3.209 55 G HA2 0.554 4.527 3.960 0.022 0.000 0.236 55 G HA3 0.554 4.525 3.960 0.019 0.000 0.236 55 G C -2.371 172.530 174.900 0.002 0.000 1.329 55 G CA -1.866 43.248 45.100 0.024 0.000 1.015 55 G HN -0.659 7.668 8.290 0.062 0.000 0.571 56 P HA 0.246 4.652 4.420 -0.023 0.000 0.289 56 P C -0.957 176.335 177.300 -0.014 0.000 1.299 56 P CA -0.858 62.233 63.100 -0.015 0.000 0.766 56 P CB 0.778 32.471 31.700 -0.012 0.000 1.226 57 E N -2.273 117.917 120.200 -0.016 0.000 2.216 57 E HA -0.083 4.258 4.350 -0.015 0.000 0.192 57 E C 0.932 177.524 176.600 -0.013 0.000 0.973 57 E CA 1.170 57.560 56.400 -0.015 0.000 0.851 57 E CB -0.335 29.355 29.700 -0.016 0.000 0.804 57 E HN 0.125 8.474 8.360 -0.018 0.000 0.477 58 K N -0.251 120.143 120.400 -0.010 0.000 1.979 58 K HA -0.100 4.215 4.320 -0.007 0.000 0.213 58 K C -0.432 176.166 176.600 -0.003 0.000 1.036 58 K CA 2.056 58.340 56.287 -0.006 0.000 0.954 58 K CB 0.480 32.978 32.500 -0.003 0.000 0.743 58 K HN -0.173 8.070 8.250 -0.011 0.000 0.443 59 D N -7.140 113.262 120.400 0.004 0.000 3.374 59 D HA -0.120 4.519 4.640 -0.001 0.000 0.312 59 D C -2.153 174.168 176.300 0.034 0.000 1.032 59 D CA -0.098 53.907 54.000 0.009 0.000 0.703 59 D CB 0.132 40.934 40.800 0.003 0.000 1.556 59 D HN -0.404 7.969 8.370 0.005 0.000 0.520 60 I N -0.290 120.308 120.570 0.047 0.000 3.904 60 I HA 0.072 4.391 4.170 0.103 -0.087 0.235 60 I C 0.612 176.816 176.117 0.145 0.000 1.062 60 I CA 0.561 61.920 61.300 0.098 0.000 1.574 60 I CB 1.338 39.397 38.000 0.097 0.000 1.503 60 I HN 0.258 8.485 8.210 0.027 0.000 0.463 61 E N -3.840 116.413 120.200 0.088 0.000 4.086 61 E HA -0.429 3.893 4.350 -0.046 0.000 0.363 61 E C -2.626 173.956 176.600 -0.030 0.000 0.616 61 E CA 2.057 58.472 56.400 0.025 0.000 1.293 61 E CB -0.227 29.508 29.700 0.058 0.000 1.747 61 E HN -0.357 8.201 8.360 0.054 -0.165 0.405 62 F N -3.185 116.825 119.950 0.100 0.000 2.949 62 F HA 0.357 5.121 4.527 0.125 -0.163 0.376 62 F C -1.728 174.216 175.800 0.240 0.000 1.205 62 F CA -1.206 56.876 58.000 0.137 0.000 1.155 62 F CB 1.402 40.471 39.000 0.114 0.000 1.495 62 F HN -0.521 7.847 8.300 0.299 0.111 0.551 63 I N 1.398 122.214 120.570 0.410 0.000 2.918 63 I HA 0.162 4.636 4.170 0.507 0.000 0.316 63 I C -2.347 174.086 176.117 0.527 0.000 1.001 63 I CA -1.598 60.004 61.300 0.504 0.000 1.142 63 I CB 2.126 40.372 38.000 0.409 0.000 1.356 63 I HN -0.307 8.104 8.210 0.335 0.000 0.524 64 Y N -1.775 118.669 120.300 0.239 0.000 2.485 64 Y HA 0.622 5.319 4.550 0.046 -0.119 0.345 64 Y C -0.159 175.802 175.900 0.101 0.000 0.998 64 Y CA -1.024 57.163 58.100 0.144 0.000 1.059 64 Y CB 3.723 42.316 38.460 0.221 0.000 1.234 64 Y HN -0.124 8.530 8.280 0.624 0.000 0.461 65 T N -1.050 113.515 114.554 0.019 0.000 2.647 65 T HA 0.287 4.809 4.350 0.075 -0.127 0.302 65 T C -2.317 172.333 174.700 -0.083 0.000 1.389 65 T CA -2.669 59.409 62.100 -0.036 0.000 1.037 65 T CB 2.181 70.975 68.868 -0.123 0.000 1.755 65 T HN 0.019 8.205 8.240 -0.091 0.000 0.467 66 A N -0.386 122.391 122.820 -0.073 0.000 2.306 66 A HA 0.713 5.003 4.320 -0.049 0.000 0.330 66 A C -1.650 175.885 177.584 -0.083 0.000 1.146 66 A CA -3.823 48.179 52.037 -0.057 0.000 0.827 66 A CB 0.407 19.393 19.000 -0.023 0.000 1.178 66 A HN 0.112 8.235 8.150 -0.045 0.000 0.490 67 P HA 0.080 4.452 4.420 -0.080 0.000 0.312 67 P C 0.119 177.403 177.300 -0.027 0.000 1.307 67 P CA -0.808 62.259 63.100 -0.056 0.000 0.738 67 P CB 0.861 32.536 31.700 -0.041 0.000 1.422 68 S N -3.830 111.861 115.700 -0.015 0.000 3.443 68 S HA -0.336 4.135 4.470 0.001 0.000 0.635 68 S C 0.134 174.739 174.600 0.008 0.000 2.555 68 S CA 1.061 59.260 58.200 -0.001 0.000 2.778 68 S CB -0.401 62.800 63.200 0.001 0.000 0.331 68 S HN 0.056 8.355 8.310 -0.018 0.000 1.765 69 S N 3.384 119.093 115.700 0.015 0.000 2.859 69 S HA -0.140 4.349 4.470 0.032 0.000 0.245 69 S C -1.062 173.557 174.600 0.031 0.000 1.008 69 S CA 0.242 58.458 58.200 0.026 0.000 1.089 69 S CB -0.973 62.242 63.200 0.024 0.000 0.798 69 S HN 0.121 8.439 8.310 0.013 0.000 0.477 70 A N -0.021 122.815 122.820 0.026 0.000 2.197 70 A HA -0.161 4.175 4.320 0.026 0.000 0.506 70 A C -1.461 176.135 177.584 0.019 0.000 0.734 70 A CA 0.770 52.826 52.037 0.031 0.000 0.468 70 A CB -1.394 17.637 19.000 0.052 0.000 2.871 70 A HN -0.470 7.561 8.150 0.015 0.128 0.418 71 V N -2.952 116.967 119.914 0.008 0.000 3.048 71 V HA 0.094 4.217 4.120 0.004 0.000 0.241 71 V C -0.644 175.451 176.094 0.001 0.000 1.129 71 V CA 1.708 64.009 62.300 0.002 0.000 1.128 71 V CB 1.899 33.719 31.823 -0.005 0.000 0.849 71 V HN -0.060 8.131 8.190 0.002 0.000 0.475 72 c N -2.410 116.191 118.600 0.002 0.000 3.385 72 c HA 0.424 4.996 4.570 0.004 0.000 0.288 72 c C 0.099 174.200 174.090 0.018 0.000 1.429 72 c CA -0.517 55.814 56.329 0.003 0.000 1.778 72 c CB 0.123 42.626 42.510 -0.011 0.000 2.503 72 c HN 0.344 8.575 8.230 0.001 0.000 0.646 73 G N 0.987 109.805 108.800 0.030 0.000 2.976 73 G HA2 0.248 4.219 3.960 0.054 0.000 0.276 73 G HA3 0.248 4.254 3.960 0.077 0.000 0.276 73 G C -1.912 173.026 174.900 0.064 0.000 1.207 73 G CA -0.076 45.059 45.100 0.057 0.000 0.803 73 G HN -0.614 7.720 8.290 0.026 -0.028 0.572 74 V N -0.574 119.394 119.914 0.089 0.000 3.528 74 V HA 0.089 4.248 4.120 0.065 0.000 0.294 74 V C -0.414 175.759 176.094 0.131 0.000 1.404 74 V CA -1.408 60.937 62.300 0.076 0.000 1.065 74 V CB 1.152 32.986 31.823 0.018 0.000 0.904 74 V HN 0.074 8.342 8.190 0.130 0.000 0.435 75 S N 0.894 116.719 115.700 0.210 0.000 3.339 75 S HA -0.428 4.219 4.470 0.294 0.000 0.320 75 S C -1.431 173.325 174.600 0.261 0.000 0.870 75 S CA 0.867 59.208 58.200 0.234 0.000 1.365 75 S CB -1.268 61.988 63.200 0.092 0.000 1.157 75 S HN -0.145 8.241 8.310 0.206 0.047 0.516 76 L N -0.376 121.088 121.223 0.401 0.000 2.322 76 L HA 0.207 4.658 4.340 0.186 0.000 0.279 76 L C -0.861 176.180 176.870 0.285 0.000 1.036 76 L CA -0.636 54.355 54.840 0.251 0.000 0.807 76 L CB 1.464 43.639 42.059 0.193 0.000 1.226 76 L HN -0.251 8.405 8.230 0.710 0.000 0.433 77 D N -2.918 117.582 120.400 0.167 0.000 2.520 77 D HA 0.048 4.957 4.640 0.154 -0.177 0.223 77 D C 0.055 176.392 176.300 0.062 0.000 1.186 77 D CA -0.824 53.248 54.000 0.119 0.000 0.821 77 D CB 0.810 41.663 40.800 0.087 0.000 1.072 77 D HN 0.031 8.481 8.370 0.134 0.000 0.518 78 V N -2.108 117.838 119.914 0.055 0.000 0.524 78 V HA -0.570 3.642 4.120 0.010 -0.085 0.092 78 V C 0.913 177.019 176.094 0.019 0.000 2.204 78 V CA 3.482 65.788 62.300 0.010 0.000 3.556 78 V CB -0.634 31.164 31.823 -0.041 0.000 0.846 78 V HN -0.209 8.034 8.190 0.087 0.000 0.884 79 G N -0.473 108.338 108.800 0.019 0.000 2.568 79 G HA2 -0.252 3.714 3.960 0.010 0.000 0.220 79 G HA3 -0.252 3.718 3.960 0.018 0.000 0.220 79 G C 0.051 174.967 174.900 0.027 0.000 1.104 79 G CA 1.892 47.003 45.100 0.018 0.000 0.738 79 G HN 0.393 8.611 8.290 0.019 0.083 0.574 80 G N -2.561 106.262 108.800 0.039 0.000 2.759 80 G HA2 0.252 4.233 3.960 0.036 0.000 0.208 80 G HA3 0.252 4.313 3.960 0.048 -0.073 0.208 80 G C -0.635 174.295 174.900 0.051 0.000 1.076 80 G CA -0.215 44.911 45.100 0.043 0.000 0.789 80 G HN -0.449 7.855 8.290 0.045 0.013 0.546 81 K N -1.652 118.783 120.400 0.059 0.000 3.233 81 K HA 0.049 4.412 4.320 0.071 0.000 0.241 81 K C -0.727 175.910 176.600 0.062 0.000 1.172 81 K CA 0.411 56.742 56.287 0.073 0.000 1.272 81 K CB 0.376 32.938 32.500 0.104 0.000 1.914 81 K HN -0.301 7.850 8.250 0.056 0.133 0.454 82 K N -6.431 113.997 120.400 0.048 0.000 1.984 82 K HA -0.032 4.291 4.320 0.005 0.000 0.160 82 K C -2.047 174.527 176.600 -0.043 0.000 2.589 82 K CA 0.162 56.463 56.287 0.024 0.000 1.234 82 K CB 0.494 33.038 32.500 0.073 0.000 2.858 82 K HN -0.075 8.201 8.250 0.045 0.000 0.360 83 E N -2.626 117.562 120.200 -0.020 0.000 2.417 83 E HA 0.166 4.301 4.350 -0.431 -0.044 0.280 83 E C -2.507 174.075 176.600 -0.030 0.000 1.112 83 E CA -0.355 55.922 56.400 -0.206 0.000 0.863 83 E CB 3.373 32.927 29.700 -0.242 0.000 1.346 83 E HN -0.609 7.801 8.360 0.084 0.000 0.443 84 Y N -5.808 114.473 120.300 -0.031 0.000 2.581 84 Y HA 0.500 5.193 4.550 0.175 -0.037 0.337 84 Y C -0.482 175.382 175.900 -0.060 0.000 1.108 84 Y CA -1.818 56.292 58.100 0.017 0.000 1.033 84 Y CB 3.111 41.535 38.460 -0.059 0.000 1.318 84 Y HN 0.805 8.568 8.280 -0.861 0.000 0.459 85 L N -2.979 118.420 121.223 0.294 0.000 2.599 85 L HA 0.204 4.751 4.340 0.136 -0.126 0.230 85 L C 0.217 177.060 176.870 -0.045 0.000 1.141 85 L CA 0.391 55.339 54.840 0.180 0.000 0.877 85 L CB -1.261 41.032 42.059 0.390 0.000 1.009 85 L HN 0.020 8.459 8.230 0.349 0.000 0.447 86 I N 0.806 121.374 120.570 -0.004 0.000 2.732 86 I HA -0.520 3.349 4.170 -0.501 0.000 0.127 86 I C -2.036 173.827 176.117 -0.423 0.000 0.882 86 I CA 1.508 62.618 61.300 -0.318 0.000 2.786 86 I CB -1.721 36.098 38.000 -0.302 0.000 0.553 86 I HN -0.193 8.091 8.210 0.252 0.078 0.352 87 A N 7.952 130.270 122.820 -0.837 0.000 2.363 87 A HA 0.832 5.161 4.320 -0.373 -0.232 0.296 87 A C -1.806 175.552 177.584 -0.377 0.000 1.237 87 A CA -1.617 49.981 52.037 -0.730 0.000 0.773 87 A CB 2.449 20.652 19.000 -1.329 0.000 1.153 87 A HN -0.310 7.163 8.150 -1.128 0.000 0.473 88 G N 0.580 109.293 108.800 -0.144 0.000 2.680 88 G HA2 0.394 4.549 3.960 0.003 0.000 0.290 88 G HA3 0.394 4.549 3.960 -0.019 -0.206 0.290 88 G C -0.177 174.735 174.900 0.020 0.000 1.355 88 G CA -1.021 44.062 45.100 -0.028 0.000 0.903 88 G HN -0.620 7.600 8.290 -0.117 0.000 0.474 89 K N 2.282 122.708 120.400 0.043 0.000 2.207 89 K HA -0.494 3.858 4.320 0.053 0.000 0.208 89 K C 0.436 177.061 176.600 0.042 0.000 1.046 89 K CA 2.209 58.525 56.287 0.049 0.000 0.929 89 K CB 0.359 32.889 32.500 0.050 0.000 0.720 89 K HN 0.112 8.519 8.250 0.043 -0.130 0.463 90 A N -5.798 117.050 122.820 0.046 0.000 4.450 90 A HA -0.315 4.071 4.320 0.024 -0.051 0.571 90 A C -1.906 175.675 177.584 -0.005 0.000 1.076 90 A CA 0.940 52.989 52.037 0.020 0.000 0.392 90 A CB -0.495 18.508 19.000 0.004 0.000 3.263 90 A HN -0.643 7.520 8.150 0.063 0.025 0.496 91 E N 1.455 121.603 120.200 -0.087 0.000 2.571 91 E HA 0.201 4.483 4.350 -0.113 0.000 0.204 91 E C -0.531 175.989 176.600 -0.132 0.000 0.851 91 E CA -0.251 56.041 56.400 -0.178 0.000 1.358 91 E CB 3.326 32.740 29.700 -0.477 0.000 1.327 91 E HN 0.343 8.655 8.360 -0.079 0.000 0.665 92 G N 0.359 109.096 108.800 -0.106 0.000 2.498 92 G HA2 0.015 3.941 3.960 -0.055 0.000 0.181 92 G HA3 0.015 3.924 3.960 -0.085 0.000 0.181 92 G C -2.233 172.639 174.900 -0.046 0.000 1.169 92 G CA 0.127 45.184 45.100 -0.073 0.000 0.992 92 G HN -0.331 7.900 8.290 -0.097 0.000 0.490 93 D N 1.721 122.098 120.400 -0.038 0.000 2.256 93 D HA 0.075 4.711 4.640 -0.007 0.000 0.240 93 D C 0.076 176.376 176.300 0.000 0.000 1.062 93 D CA 0.059 54.051 54.000 -0.014 0.000 0.832 93 D CB 0.870 41.661 40.800 -0.014 0.000 1.135 93 D HN -0.266 8.077 8.370 -0.045 0.000 0.484 94 G N 3.040 111.861 108.800 0.034 0.000 2.179 94 G HA2 -0.385 3.888 3.960 0.108 0.000 0.260 94 G HA3 -0.385 3.607 3.960 0.053 0.000 0.260 94 G C -2.051 172.929 174.900 0.132 0.000 0.977 94 G CA 0.823 45.970 45.100 0.079 0.000 0.641 94 G HN 0.040 8.352 8.290 0.037 0.000 0.533 95 K N -4.206 116.239 120.400 0.076 0.000 2.600 95 K HA 0.547 5.327 4.320 0.249 -0.310 0.262 95 K C -2.511 174.046 176.600 -0.071 0.000 0.935 95 K CA -1.464 54.873 56.287 0.083 0.000 0.866 95 K CB 2.555 35.082 32.500 0.045 0.000 1.354 95 K HN -0.916 7.274 8.250 0.023 0.074 0.419 96 M N 0.178 119.751 119.600 -0.045 0.000 3.043 96 M HA 0.322 4.785 4.480 -0.186 -0.094 0.296 96 M C -2.031 174.183 176.300 -0.143 0.000 1.272 96 M CA -0.928 54.310 55.300 -0.103 0.000 0.789 96 M CB 2.524 35.135 32.600 0.018 0.000 1.846 96 M HN -0.150 8.217 8.290 0.127 0.000 0.447 97 H N -0.845 118.229 119.070 0.007 0.000 2.877 97 H HA 0.302 4.903 4.556 0.075 0.000 0.347 97 H C -1.493 173.854 175.328 0.032 0.000 1.042 97 H CA -0.785 55.278 56.048 0.025 0.000 1.276 97 H CB 2.730 32.480 29.762 -0.021 0.000 1.681 97 H HN -0.163 8.124 8.280 0.093 0.049 0.521 98 I N -0.384 120.306 120.570 0.201 0.000 2.769 98 I HA 0.619 4.976 4.170 0.050 -0.158 0.298 98 I C -2.674 173.487 176.117 0.072 0.000 1.128 98 I CA -1.873 59.478 61.300 0.085 0.000 1.031 98 I CB 3.795 41.806 38.000 0.018 0.000 1.235 98 I HN -0.431 7.942 8.210 0.271 0.000 0.423 99 T N -0.131 114.446 114.554 0.039 0.000 2.864 99 T HA 0.439 4.957 4.350 0.044 -0.142 0.299 99 T C 0.137 174.868 174.700 0.051 0.000 1.166 99 T CA -2.422 59.701 62.100 0.038 0.000 1.007 99 T CB 3.424 72.302 68.868 0.017 0.000 1.219 99 T HN -0.291 7.968 8.240 0.030 0.000 0.506 100 L N -4.497 116.758 121.223 0.052 0.000 2.042 100 L HA -0.110 4.269 4.340 0.064 0.000 0.210 100 L C 0.987 177.916 176.870 0.099 0.000 1.076 100 L CA 2.720 57.598 54.840 0.064 0.000 0.749 100 L CB -0.286 41.802 42.059 0.047 0.000 0.893 100 L HN 0.055 8.211 8.230 0.041 0.098 0.432 101 c N -2.781 115.877 118.600 0.097 0.000 2.435 101 c HA -0.194 4.468 4.570 0.153 0.000 0.279 101 c C 0.371 174.602 174.090 0.234 0.000 1.321 101 c CA 1.389 57.809 56.329 0.151 0.000 1.752 101 c CB -1.418 41.156 42.510 0.107 0.000 1.959 101 c HN -0.000 8.270 8.230 0.068 0.000 0.500 102 D N -2.463 118.025 120.400 0.146 0.000 2.371 102 D HA -0.070 4.627 4.640 0.094 0.000 0.242 102 D C -0.913 175.522 176.300 0.226 0.000 1.218 102 D CA 0.081 54.160 54.000 0.131 0.000 0.945 102 D CB 1.666 42.505 40.800 0.064 0.000 1.137 102 D HN -0.426 7.868 8.370 0.099 0.135 0.464 103 F N 2.066 122.024 119.950 0.013 0.000 2.502 103 F HA -0.041 4.560 4.527 0.124 0.000 0.371 103 F C -2.079 173.692 175.800 -0.048 0.000 1.083 103 F CA -0.556 57.450 58.000 0.011 0.000 1.174 103 F CB -0.112 38.835 39.000 -0.088 0.000 1.096 103 F HN -0.123 8.321 8.300 0.240 0.000 0.545 104 I N 0.554 121.272 120.570 0.247 0.000 2.731 104 I HA 0.347 4.259 4.170 -0.430 0.000 0.289 104 I C -2.421 173.776 176.117 0.134 0.000 1.399 104 I CA -0.787 60.460 61.300 -0.089 0.000 1.048 104 I CB 2.891 40.789 38.000 -0.170 0.000 1.345 104 I HN -0.481 8.034 8.210 0.508 0.000 0.425 105 V N -4.575 115.423 119.914 0.139 0.000 3.178 105 V HA 0.467 4.703 4.120 0.194 0.000 0.302 105 V C -2.060 174.210 176.094 0.293 0.000 1.262 105 V CA -3.863 58.587 62.300 0.250 0.000 1.030 105 V CB 2.481 34.531 31.823 0.377 0.000 1.074 105 V HN -0.168 8.048 8.190 0.045 0.000 0.438 106 P HA 0.203 4.962 4.420 0.343 -0.133 0.253 106 P C 0.125 177.673 177.300 0.414 0.000 1.281 106 P CA 0.696 63.978 63.100 0.303 0.000 0.792 106 P CB 0.031 31.855 31.700 0.207 0.000 1.193 107 W N -1.107 120.312 121.300 0.200 0.000 0.513 107 W HA -0.493 4.342 4.660 0.292 0.000 0.215 107 W C -0.684 175.935 176.519 0.166 0.000 0.928 107 W CA 2.511 59.987 57.345 0.218 0.000 0.473 107 W CB -1.654 27.918 29.460 0.188 0.000 1.889 107 W HN 0.101 8.437 8.180 0.449 0.114 0.736 108 D N 0.698 121.181 120.400 0.138 0.000 2.911 108 D HA -0.012 4.439 4.640 -0.315 0.000 0.233 108 D C -0.166 176.123 176.300 -0.018 0.000 1.134 108 D CA 1.277 55.236 54.000 -0.067 0.000 1.011 108 D CB -1.208 39.612 40.800 0.034 0.000 1.174 108 D HN 0.054 8.559 8.370 0.341 0.069 0.440 109 T N -2.257 112.287 114.554 -0.016 0.000 3.792 109 T HA -0.071 4.276 4.350 -0.005 0.000 0.290 109 T C 0.480 175.187 174.700 0.012 0.000 0.946 109 T CA 0.556 62.667 62.100 0.019 0.000 1.172 109 T CB 0.934 69.849 68.868 0.078 0.000 1.095 109 T HN 0.060 8.178 8.240 -0.044 0.096 0.453 110 L N 2.137 123.402 121.223 0.069 0.000 3.805 110 L HA -0.424 4.001 4.340 0.142 0.000 0.076 110 L C 0.522 177.385 176.870 -0.011 0.000 3.610 110 L CA 2.258 57.137 54.840 0.065 0.000 1.426 110 L CB -0.316 41.775 42.059 0.053 0.000 3.028 110 L HN -0.364 7.948 8.230 0.137 0.000 0.661 111 S N -4.951 110.715 115.700 -0.057 0.000 2.693 111 S HA -0.074 4.360 4.470 -0.061 0.000 0.178 111 S C -0.932 173.615 174.600 -0.088 0.000 0.664 111 S CA 0.688 58.847 58.200 -0.068 0.000 1.238 111 S CB 0.103 63.267 63.200 -0.059 0.000 0.833 111 S HN 0.260 8.527 8.310 -0.072 0.000 0.431 112 T N -1.264 113.219 114.554 -0.118 0.000 4.057 112 T HA -0.122 4.161 4.350 -0.112 0.000 0.303 112 T C 0.336 174.916 174.700 -0.201 0.000 0.817 112 T CA 2.560 64.582 62.100 -0.130 0.000 1.361 112 T CB -0.590 68.217 68.868 -0.101 0.000 0.803 112 T HN -0.046 8.111 8.240 -0.139 0.000 0.431 113 T N 3.686 118.108 114.554 -0.221 0.000 2.802 113 T HA -0.321 3.866 4.350 -0.272 0.000 0.269 113 T C 0.468 174.849 174.700 -0.531 0.000 1.062 113 T CA 4.132 66.051 62.100 -0.303 0.000 1.133 113 T CB -0.400 68.321 68.868 -0.245 0.000 0.852 113 T HN 0.217 8.352 8.240 -0.175 0.000 0.485 114 Q N -3.362 116.086 119.800 -0.587 0.000 2.212 114 Q HA -0.079 3.107 4.340 -2.053 -0.077 0.199 114 Q C 1.786 177.307 176.000 -0.798 0.000 0.950 114 Q CA 2.362 57.460 55.803 -1.175 0.000 0.863 114 Q CB 0.021 28.414 28.738 -0.574 0.000 0.944 114 Q HN 0.091 8.108 8.270 -0.373 0.029 0.465 115 K N -0.570 119.637 120.400 -0.322 0.000 2.062 115 K HA -0.220 4.090 4.320 -0.016 0.000 0.205 115 K C 2.571 179.090 176.600 -0.136 0.000 1.051 115 K CA 2.906 59.122 56.287 -0.118 0.000 0.941 115 K CB 0.242 32.715 32.500 -0.045 0.000 0.719 115 K HN -0.154 7.814 8.250 -0.268 0.121 0.440 116 K N -0.551 119.728 120.400 -0.201 0.000 2.280 116 K HA -0.272 4.009 4.320 -0.066 0.000 0.202 116 K C 1.593 178.076 176.600 -0.195 0.000 1.047 116 K CA 2.862 59.054 56.287 -0.157 0.000 0.942 116 K CB -0.844 31.550 32.500 -0.176 0.000 0.739 116 K HN 0.483 8.476 8.250 -0.243 0.111 0.457 117 S N -2.642 112.853 115.700 -0.340 0.000 2.524 117 S HA -0.013 4.270 4.470 -0.313 0.000 0.216 117 S C 1.723 176.366 174.600 0.073 0.000 0.987 117 S CA 1.095 59.135 58.200 -0.267 0.000 0.909 117 S CB -0.134 62.732 63.200 -0.558 0.000 0.781 117 S HN -0.455 7.391 8.310 -0.492 0.169 0.521 118 L N 0.814 122.041 121.223 0.007 0.000 2.156 118 L HA -0.217 4.073 4.340 -0.083 0.000 0.208 118 L C 0.870 177.778 176.870 0.064 0.000 1.095 118 L CA 2.466 57.262 54.840 -0.073 0.000 0.770 118 L CB -0.126 41.753 42.059 -0.299 0.000 0.914 118 L HN -0.014 7.954 8.230 -0.097 0.203 0.439 119 N N -4.218 114.555 118.700 0.121 0.000 2.336 119 N HA -0.094 4.749 4.740 0.173 0.000 0.189 119 N C 0.434 176.053 175.510 0.181 0.000 1.113 119 N CA 0.500 53.645 53.050 0.158 0.000 0.858 119 N CB -0.482 38.086 38.487 0.135 0.000 0.970 119 N HN -0.595 7.823 8.380 0.089 0.014 0.471 120 H N 0.169 119.269 119.070 0.049 0.000 2.543 120 H HA 0.013 4.579 4.556 0.016 0.000 0.269 120 H C 0.111 175.483 175.328 0.075 0.000 1.005 120 H CA 1.014 57.081 56.048 0.033 0.000 1.146 120 H CB 0.116 29.877 29.762 -0.002 0.000 1.353 120 H HN -0.452 7.841 8.280 0.262 0.145 0.595 121 R N -3.612 117.006 120.500 0.197 0.000 1.227 121 R HA -0.427 4.052 4.340 0.231 0.000 0.022 121 R C -1.256 175.255 176.300 0.352 0.000 0.961 121 R CA 2.828 59.077 56.100 0.249 0.000 1.953 121 R CB -1.294 29.160 30.300 0.257 0.000 0.169 121 R HN -0.503 7.790 8.270 0.196 0.094 0.722 122 Y N -4.591 115.777 120.300 0.114 0.000 2.265 122 Y HA 0.119 4.757 4.550 0.147 0.000 0.324 122 Y C -1.335 174.634 175.900 0.115 0.000 1.197 122 Y CA -1.277 56.894 58.100 0.118 0.000 1.318 122 Y CB 1.336 39.846 38.460 0.083 0.000 1.223 122 Y HN -0.031 8.306 8.280 0.142 0.028 0.419 123 Q N 4.414 124.194 119.800 -0.033 0.000 2.453 123 Q HA -0.426 3.943 4.340 0.049 0.000 0.330 123 Q C -0.994 174.872 176.000 -0.222 0.000 1.417 123 Q CA 0.890 56.640 55.803 -0.090 0.000 0.902 123 Q CB -0.763 27.918 28.738 -0.094 0.000 1.154 123 Q HN 0.225 8.577 8.270 0.137 0.000 0.395 124 M N 1.624 121.189 119.600 -0.059 0.000 3.722 124 M HA -0.176 4.078 4.480 -0.376 0.000 0.183 124 M C 0.234 176.483 176.300 -0.084 0.000 1.485 124 M CA -0.433 54.700 55.300 -0.279 0.000 1.685 124 M CB -2.461 29.625 32.600 -0.857 0.000 1.198 124 M HN 0.094 8.502 8.290 0.196 0.000 0.494 125 G N -0.658 108.116 108.800 -0.043 0.000 2.258 125 G HA2 -0.402 3.546 3.960 -0.020 0.000 0.274 125 G HA3 -0.402 3.547 3.960 -0.019 0.000 0.274 125 G C 0.310 175.264 174.900 0.089 0.000 1.021 125 G CA 0.851 45.953 45.100 0.003 0.000 0.798 125 G HN 0.352 8.486 8.290 -0.113 0.087 0.507 126 c N -3.445 115.251 118.600 0.160 0.000 2.950 126 c HA -0.193 4.444 4.570 0.111 0.000 0.268 126 c C -0.104 173.969 174.090 -0.028 0.000 1.447 126 c CA -0.784 55.562 56.329 0.027 0.000 1.952 126 c CB 1.374 43.743 42.510 -0.235 0.000 2.092 126 c HN -0.209 8.117 8.230 0.203 0.026 0.673 127 E N 0.000 120.149 120.200 -0.085 0.000 2.725 127 E HA 0.000 4.321 4.350 -0.049 0.000 0.291 127 E CA 0.000 56.363 56.400 -0.061 0.000 0.976 127 E CB 0.000 29.679 29.700 -0.035 0.000 0.812 127 E HN 0.000 8.430 8.360 -0.151 -0.160 0.440