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 2rti_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 13 A HA 0.000 4.727 4.320 0.678 0.000 0.244 13 A C 0.000 177.684 177.584 0.166 0.000 1.274 13 A CA 0.000 52.266 52.037 0.382 0.000 0.836 13 A CB 0.000 19.133 19.000 0.221 0.000 0.831 14 E N 1.134 121.378 120.200 0.074 0.000 3.143 14 E HA -0.659 3.474 4.350 -0.363 0.000 0.259 14 E C 1.626 178.021 176.600 -0.341 0.000 0.974 14 E CA 3.407 59.693 56.400 -0.190 0.000 1.610 14 E CB -0.472 29.276 29.700 0.080 0.000 1.596 14 E HN 0.556 9.096 8.360 0.300 0.000 0.390 15 A N 0.475 123.201 122.820 -0.157 0.000 1.997 15 A HA -0.319 3.873 4.320 -0.214 0.000 0.221 15 A C 1.849 179.319 177.584 -0.190 0.000 1.172 15 A CA 2.336 54.275 52.037 -0.164 0.000 0.645 15 A CB -0.450 18.513 19.000 -0.061 0.000 0.813 15 A HN 0.269 8.391 8.150 -0.046 0.000 0.454 16 G N -3.332 105.382 108.800 -0.144 0.000 2.807 16 G HA2 -0.221 3.714 3.960 -0.041 0.000 0.207 16 G HA3 -0.221 3.783 3.960 0.073 0.000 0.207 16 G C 0.594 175.449 174.900 -0.076 0.000 1.151 16 G CA 0.984 46.054 45.100 -0.049 0.000 0.800 16 G HN 0.179 8.280 8.290 -0.106 0.125 0.523 17 I N 0.979 121.338 120.570 -0.353 0.000 2.584 17 I HA -0.205 3.944 4.170 -0.035 0.000 0.255 17 I C -0.176 175.911 176.117 -0.050 0.000 1.145 17 I CA 1.919 63.022 61.300 -0.329 0.000 1.462 17 I CB 0.421 37.987 38.000 -0.723 0.000 1.102 17 I HN 0.336 8.055 8.210 -0.437 0.229 0.433 18 T N 2.365 116.815 114.554 -0.173 0.000 2.934 18 T HA -0.299 4.113 4.350 -0.218 -0.193 0.306 18 T C -0.240 174.385 174.700 -0.125 0.000 1.042 18 T CA 3.304 65.304 62.100 -0.165 0.000 1.145 18 T CB 0.051 68.819 68.868 -0.167 0.000 0.982 18 T HN -0.353 7.620 8.240 -0.234 0.127 0.544 19 G N 4.198 112.888 108.800 -0.183 0.000 2.350 19 G HA2 -0.157 3.651 3.960 -0.254 0.000 0.282 19 G HA3 -0.157 3.567 3.960 -0.395 0.000 0.282 19 G C -3.240 171.451 174.900 -0.348 0.000 1.314 19 G CA 0.195 45.120 45.100 -0.292 0.000 0.915 19 G HN 0.011 8.169 8.290 -0.218 0.000 0.499 20 T N 2.116 116.393 114.554 -0.463 0.000 2.786 20 T HA 0.745 5.018 4.350 -0.399 -0.162 0.283 20 T C -1.165 173.172 174.700 -0.606 0.000 0.992 20 T CA 0.561 62.386 62.100 -0.458 0.000 0.954 20 T CB 1.348 69.991 68.868 -0.375 0.000 0.934 20 T HN 0.027 7.968 8.240 -0.497 0.000 0.440 21 W N 5.591 126.584 121.300 -0.513 0.000 2.799 21 W HA 0.429 5.169 4.660 -0.089 -0.133 0.349 21 W C -1.723 174.595 176.519 -0.334 0.000 1.100 21 W CA -1.434 55.772 57.345 -0.232 0.000 1.174 21 W CB 3.482 32.956 29.460 0.023 0.000 1.427 21 W HN 1.017 8.935 8.180 -0.255 0.109 0.547 22 Y N -2.766 117.833 120.300 0.498 0.000 2.512 22 Y HA 0.912 5.889 4.550 0.332 -0.228 0.348 22 Y C -0.875 175.249 175.900 0.373 0.000 0.990 22 Y CA -1.913 56.403 58.100 0.359 0.000 1.033 22 Y CB 3.691 42.258 38.460 0.179 0.000 1.259 22 Y HN 0.997 9.673 8.280 0.660 0.000 0.461 23 N N -0.030 118.868 118.700 0.330 0.000 2.592 23 N HA 0.650 5.543 4.740 -0.058 -0.188 0.292 23 N C 1.972 177.510 175.510 0.045 0.000 1.260 23 N CA -2.922 50.096 53.050 -0.054 0.000 0.910 23 N CB 1.917 40.070 38.487 -0.556 0.000 1.257 23 N HN -0.069 8.518 8.380 0.344 0.000 0.569 24 Q N -0.377 119.422 119.800 -0.003 0.000 2.368 24 Q HA -0.164 4.209 4.340 0.055 0.000 0.210 24 Q C 0.252 176.280 176.000 0.047 0.000 0.982 24 Q CA 2.362 58.188 55.803 0.040 0.000 0.884 24 Q CB -0.794 27.969 28.738 0.042 0.000 0.933 24 Q HN 0.291 8.518 8.270 -0.070 0.000 0.460 25 L N -2.839 118.415 121.223 0.053 0.000 2.529 25 L HA 0.184 4.554 4.340 0.049 0.000 0.223 25 L C 0.828 177.745 176.870 0.079 0.000 1.113 25 L CA -0.224 54.653 54.840 0.063 0.000 0.861 25 L CB 0.472 42.575 42.059 0.072 0.000 1.012 25 L HN -0.463 7.961 8.230 0.040 -0.170 0.461 26 G N -2.320 106.543 108.800 0.106 0.000 2.159 26 G HA2 -0.358 3.686 3.960 0.139 0.000 0.227 26 G HA3 -0.358 3.657 3.960 0.091 0.000 0.227 26 G C -0.378 174.631 174.900 0.182 0.000 0.986 26 G CA -0.173 45.005 45.100 0.130 0.000 0.651 26 G HN -0.094 8.191 8.290 0.110 0.071 0.523 27 S N 1.808 117.618 115.700 0.182 0.000 2.593 27 S HA 0.092 4.713 4.470 0.129 -0.074 0.269 27 S C -0.850 173.820 174.600 0.116 0.000 1.334 27 S CA 1.787 60.074 58.200 0.144 0.000 1.015 27 S CB 1.232 64.565 63.200 0.222 0.000 0.912 27 S HN -0.146 8.518 8.310 0.170 -0.252 0.541 28 T N 3.764 118.269 114.554 -0.081 0.000 2.824 28 T HA 0.720 5.149 4.350 -0.181 -0.187 0.282 28 T C -1.741 172.747 174.700 -0.353 0.000 0.993 28 T CA -0.175 61.821 62.100 -0.173 0.000 0.967 28 T CB 2.010 70.810 68.868 -0.114 0.000 0.960 28 T HN 0.518 8.673 8.240 -0.142 0.000 0.441 29 F N 8.796 128.452 119.950 -0.490 0.000 2.460 29 F HA 0.663 4.978 4.527 -0.578 -0.134 0.341 29 F C -3.006 172.586 175.800 -0.346 0.000 1.130 29 F CA -2.942 54.738 58.000 -0.532 0.000 0.962 29 F CB 3.155 41.759 39.000 -0.659 0.000 1.171 29 F HN 0.946 9.142 8.300 -0.174 0.000 0.436 30 I N 8.687 128.994 120.570 -0.438 0.000 2.382 30 I HA 0.659 4.747 4.170 -0.456 -0.192 0.286 30 I C -1.619 174.155 176.117 -0.572 0.000 1.002 30 I CA -1.260 59.771 61.300 -0.448 0.000 1.135 30 I CB 1.429 39.275 38.000 -0.257 0.000 1.288 30 I HN 0.626 8.687 8.210 -0.248 0.000 0.448 31 V N 4.881 124.393 119.914 -0.671 0.000 2.914 31 V HA 0.995 5.037 4.120 -0.459 -0.198 0.314 31 V C -1.014 174.867 176.094 -0.355 0.000 1.084 31 V CA -2.924 59.024 62.300 -0.586 0.000 0.963 31 V CB 2.940 34.271 31.823 -0.821 0.000 1.025 31 V HN 0.697 8.530 8.190 -0.595 0.000 0.432 32 T N 5.232 119.621 114.554 -0.273 0.000 2.812 32 T HA 0.253 4.486 4.350 -0.195 0.000 0.282 32 T C -1.894 172.696 174.700 -0.184 0.000 0.990 32 T CA -0.288 61.697 62.100 -0.192 0.000 0.960 32 T CB 1.949 70.738 68.868 -0.132 0.000 0.948 32 T HN 0.655 8.737 8.240 -0.265 0.000 0.438 33 A N 7.576 130.273 122.820 -0.204 0.000 2.288 33 A HA 0.774 5.167 4.320 -0.148 -0.161 0.320 33 A C -0.858 176.704 177.584 -0.037 0.000 1.217 33 A CA -2.060 49.846 52.037 -0.219 0.000 0.840 33 A CB 1.671 20.334 19.000 -0.560 0.000 1.179 33 A HN 0.485 8.512 8.150 -0.205 0.000 0.504 34 G N 1.122 109.988 108.800 0.110 0.000 2.425 34 G HA2 0.224 4.210 3.960 0.044 0.000 0.302 34 G HA3 0.224 4.232 3.960 0.081 0.000 0.302 34 G C 0.143 175.153 174.900 0.183 0.000 1.159 34 G CA -1.303 43.858 45.100 0.102 0.000 0.865 34 G HN 0.472 8.751 8.290 0.174 0.116 0.515 35 A N 1.100 123.982 122.820 0.104 0.000 1.997 35 A HA -0.302 4.096 4.320 0.131 0.000 0.221 35 A C 0.037 177.650 177.584 0.049 0.000 1.172 35 A CA 2.433 54.525 52.037 0.092 0.000 0.645 35 A CB -0.329 18.696 19.000 0.042 0.000 0.813 35 A HN 0.410 8.597 8.150 0.061 0.000 0.454 36 D N -4.489 115.920 120.400 0.015 0.000 2.434 36 D HA -0.006 4.592 4.640 -0.070 0.000 0.232 36 D C -0.418 175.791 176.300 -0.153 0.000 1.166 36 D CA -0.599 53.367 54.000 -0.056 0.000 0.830 36 D CB 0.020 40.802 40.800 -0.031 0.000 0.960 36 D HN -0.448 7.914 8.370 0.036 0.029 0.497 37 G N -2.111 106.505 108.800 -0.306 0.000 2.176 37 G HA2 -0.410 2.787 3.960 -1.587 0.000 0.232 37 G HA3 -0.410 3.298 3.960 -0.420 0.000 0.232 37 G C -1.832 173.006 174.900 -0.104 0.000 0.986 37 G CA 0.316 45.063 45.100 -0.588 0.000 0.643 37 G HN -0.341 7.769 8.290 -0.193 0.064 0.522 38 A N -0.675 122.206 122.820 0.100 0.000 2.286 38 A HA 0.386 4.774 4.320 0.113 0.000 0.286 38 A C -1.802 175.915 177.584 0.221 0.000 1.097 38 A CA -1.311 50.810 52.037 0.140 0.000 0.821 38 A CB 2.300 21.343 19.000 0.073 0.000 1.076 38 A HN -0.662 7.496 8.150 0.091 0.047 0.490 39 L N 1.470 122.778 121.223 0.142 0.000 2.381 39 L HA 0.921 5.430 4.340 -0.009 -0.175 0.274 39 L C -0.892 175.983 176.870 0.009 0.000 0.988 39 L CA -0.781 54.092 54.840 0.055 0.000 0.824 39 L CB 4.268 46.392 42.059 0.108 0.000 1.263 39 L HN -0.245 8.059 8.230 0.123 0.000 0.410 40 T N 0.218 114.738 114.554 -0.056 0.000 2.883 40 T HA 0.754 5.244 4.350 -0.018 -0.150 0.301 40 T C -1.034 173.599 174.700 -0.111 0.000 1.158 40 T CA -2.121 59.949 62.100 -0.050 0.000 1.007 40 T CB 3.536 72.385 68.868 -0.032 0.000 1.186 40 T HN 0.442 8.620 8.240 -0.103 0.000 0.499 41 G N -0.857 107.893 108.800 -0.084 0.000 2.351 41 G HA2 0.135 4.028 3.960 -0.111 0.000 0.279 41 G HA3 0.135 4.201 3.960 -0.201 -0.227 0.279 41 G C -2.608 172.265 174.900 -0.045 0.000 1.297 41 G CA 0.850 45.880 45.100 -0.116 0.000 0.886 41 G HN -0.379 7.886 8.290 -0.042 0.000 0.493 42 T N -2.118 112.412 114.554 -0.040 0.000 2.906 42 T HA 0.929 5.485 4.350 0.093 -0.150 0.295 42 T C -2.528 172.252 174.700 0.133 0.000 1.075 42 T CA -2.167 59.966 62.100 0.056 0.000 1.005 42 T CB 3.683 72.571 68.868 0.033 0.000 1.136 42 T HN 0.078 8.254 8.240 -0.108 0.000 0.498 43 Y N 0.935 121.300 120.300 0.109 0.000 2.477 43 Y HA 0.618 5.431 4.550 0.147 -0.175 0.347 43 Y C -2.653 173.427 175.900 0.300 0.000 0.981 43 Y CA -1.702 56.496 58.100 0.164 0.000 1.033 43 Y CB 4.559 43.073 38.460 0.090 0.000 1.245 43 Y HN 0.874 9.238 8.280 0.315 0.105 0.455 44 E N 7.609 127.906 120.200 0.162 0.000 2.255 44 E HA 0.504 5.322 4.350 0.550 -0.138 0.256 44 E C -2.213 174.557 176.600 0.283 0.000 0.887 44 E CA -1.436 55.153 56.400 0.315 0.000 0.782 44 E CB 3.860 33.646 29.700 0.143 0.000 1.214 44 E HN 0.575 8.734 8.360 -0.335 0.000 0.417 45 S N 7.455 123.458 115.700 0.506 0.000 2.586 45 S HA 0.075 4.804 4.470 0.431 0.000 0.274 45 S C 0.000 174.713 174.600 0.188 0.000 1.281 45 S CA -0.746 57.686 58.200 0.386 0.000 1.035 45 S CB 1.345 64.702 63.200 0.261 0.000 0.962 45 S HN 0.674 9.370 8.310 0.644 0.000 0.512 46 A N 5.582 128.487 122.820 0.142 0.000 2.178 46 A HA 0.175 4.546 4.320 0.084 0.000 0.211 46 A C -0.258 177.347 177.584 0.035 0.000 1.157 46 A CA 0.725 52.812 52.037 0.084 0.000 0.780 46 A CB 0.664 19.714 19.000 0.083 0.000 0.828 46 A HN 0.411 8.665 8.150 0.174 0.000 0.476 47 V N -5.874 114.040 119.914 0.000 0.000 3.141 47 V HA 0.580 4.676 4.120 -0.040 0.000 0.312 47 V C -0.343 175.658 176.094 -0.154 0.000 1.157 47 V CA -1.752 60.512 62.300 -0.060 0.000 1.041 47 V CB 2.165 33.953 31.823 -0.058 0.000 1.071 47 V HN -0.218 7.931 8.190 0.018 0.053 0.441 48 G N 2.686 111.391 108.800 -0.160 0.000 2.582 48 G HA2 -0.260 3.574 3.960 -0.210 0.000 0.222 48 G HA3 -0.260 3.470 3.960 -0.384 0.000 0.222 48 G C -0.826 173.966 174.900 -0.180 0.000 1.311 48 G CA -0.303 44.654 45.100 -0.239 0.000 0.915 48 G HN 0.422 8.646 8.290 -0.110 0.000 0.528 49 N N 3.125 121.692 118.700 -0.222 0.000 3.034 49 N HA 0.064 4.767 4.740 -0.062 0.000 0.265 49 N C -1.557 173.885 175.510 -0.113 0.000 1.166 49 N CA -1.141 51.836 53.050 -0.121 0.000 1.081 49 N CB -1.350 37.070 38.487 -0.112 0.000 1.378 49 N HN 0.217 8.409 8.380 -0.314 0.000 0.520 50 A N 1.656 124.458 122.820 -0.030 0.000 2.566 50 A HA 0.477 5.002 4.320 0.342 0.000 0.297 50 A C -2.316 175.420 177.584 0.254 0.000 1.059 50 A CA -0.262 51.874 52.037 0.166 0.000 0.691 50 A CB 2.712 21.679 19.000 -0.054 0.000 1.282 50 A HN -0.538 7.561 8.150 -0.029 0.034 0.401 51 E N 2.867 123.298 120.200 0.385 0.000 2.321 51 E HA 0.324 4.760 4.350 0.143 0.000 0.278 51 E C -1.317 175.330 176.600 0.078 0.000 0.902 51 E CA -0.800 55.700 56.400 0.167 0.000 0.758 51 E CB 3.309 33.037 29.700 0.047 0.000 1.213 51 E HN 0.140 8.869 8.360 0.616 0.000 0.426 52 S N 0.492 116.194 115.700 0.003 0.000 3.736 52 S HA -0.445 4.073 4.470 -0.090 -0.102 0.635 52 S C -1.601 173.020 174.600 0.034 0.000 2.177 52 S CA 1.360 59.504 58.200 -0.094 0.000 2.442 52 S CB 0.463 63.460 63.200 -0.338 0.000 0.329 52 S HN 0.312 8.641 8.310 0.032 0.000 1.710 53 R N -1.343 119.135 120.500 -0.037 0.000 2.598 53 R HA 0.528 5.220 4.340 0.262 -0.195 0.279 53 R C -0.724 175.487 176.300 -0.149 0.000 0.984 53 R CA -0.579 55.557 56.100 0.060 0.000 0.999 53 R CB 1.417 31.752 30.300 0.058 0.000 1.114 53 R HN -0.137 8.096 8.270 -0.061 0.000 0.493 54 Y N -2.251 118.147 120.300 0.164 0.000 2.536 54 Y HA 0.174 4.781 4.550 0.095 0.000 0.347 54 Y C -0.823 175.108 175.900 0.051 0.000 1.000 54 Y CA -1.180 56.977 58.100 0.094 0.000 1.051 54 Y CB 3.072 41.548 38.460 0.026 0.000 1.259 54 Y HN 0.431 8.971 8.280 0.434 0.000 0.468 55 V N 1.180 121.190 119.914 0.159 0.000 2.732 55 V HA 0.072 4.361 4.120 0.078 -0.123 0.297 55 V C -0.590 175.550 176.094 0.076 0.000 1.060 55 V CA 0.990 63.342 62.300 0.087 0.000 1.038 55 V CB 0.599 32.453 31.823 0.051 0.000 1.003 55 V HN 0.744 9.030 8.190 0.160 0.000 0.481 56 L N 0.693 121.958 121.223 0.070 0.000 2.371 56 L HA 1.062 5.616 4.340 0.091 -0.159 0.262 56 L C -1.588 175.331 176.870 0.081 0.000 1.006 56 L CA -1.503 53.394 54.840 0.094 0.000 0.818 56 L CB 4.267 46.400 42.059 0.123 0.000 1.354 56 L HN 0.080 8.343 8.230 0.054 0.000 0.415 57 T N 0.256 114.884 114.554 0.124 0.000 2.923 57 T HA 0.611 5.166 4.350 0.076 -0.159 0.311 57 T C -1.491 173.316 174.700 0.178 0.000 1.183 57 T CA -1.403 60.760 62.100 0.106 0.000 1.020 57 T CB 2.334 71.244 68.868 0.070 0.000 1.165 57 T HN -0.113 8.227 8.240 0.168 0.000 0.482 58 G N 2.392 111.295 108.800 0.172 0.000 2.634 58 G HA2 0.702 4.788 3.960 0.210 0.000 0.309 58 G HA3 0.702 4.986 3.960 0.326 -0.128 0.309 58 G C -2.758 172.249 174.900 0.179 0.000 1.299 58 G CA 0.485 45.721 45.100 0.226 0.000 0.798 58 G HN 0.255 8.620 8.290 0.126 0.000 0.490 59 R N -3.391 117.231 120.500 0.204 0.000 2.707 59 R HA 1.120 5.771 4.340 0.171 -0.208 0.272 59 R C -1.786 174.659 176.300 0.241 0.000 1.011 59 R CA -2.046 54.154 56.100 0.168 0.000 0.893 59 R CB 4.846 35.193 30.300 0.079 0.000 1.233 59 R HN 0.143 8.558 8.270 0.242 0.000 0.464 60 Y N -2.705 117.626 120.300 0.052 0.000 2.644 60 Y HA 0.647 5.373 4.550 0.075 -0.131 0.338 60 Y C -2.056 173.867 175.900 0.039 0.000 1.119 60 Y CA -2.685 55.446 58.100 0.052 0.000 1.060 60 Y CB 2.373 40.847 38.460 0.023 0.000 1.294 60 Y HN 0.381 8.650 8.280 -0.018 0.000 0.472 61 D N 0.240 120.668 120.400 0.047 0.000 2.352 61 D HA 0.153 4.711 4.640 -0.136 0.000 0.245 61 D C 0.204 176.412 176.300 -0.152 0.000 1.224 61 D CA -0.735 53.226 54.000 -0.064 0.000 0.879 61 D CB 0.962 41.799 40.800 0.062 0.000 1.057 61 D HN 0.098 8.620 8.370 0.253 0.000 0.491 62 S N 3.010 118.464 115.700 -0.410 0.000 2.515 62 S HA -0.230 4.139 4.470 -0.167 0.000 0.231 62 S C -0.276 174.312 174.600 -0.020 0.000 0.987 62 S CA 1.531 59.558 58.200 -0.287 0.000 0.936 62 S CB 0.326 63.310 63.200 -0.360 0.000 0.766 62 S HN -0.100 7.962 8.310 -0.413 0.000 0.528 63 A N 1.392 124.201 122.820 -0.018 0.000 3.159 63 A HA 0.363 4.708 4.320 0.042 0.000 0.330 63 A C -3.264 174.345 177.584 0.042 0.000 1.032 63 A CA -2.445 49.605 52.037 0.022 0.000 0.841 63 A CB 0.266 19.267 19.000 0.001 0.000 1.093 63 A HN -0.245 7.898 8.150 -0.055 -0.026 0.478 64 P HA 0.039 4.716 4.420 0.077 -0.210 0.271 64 P C -1.143 176.196 177.300 0.066 0.000 1.233 64 P CA -0.401 62.751 63.100 0.086 0.000 0.789 64 P CB 1.200 32.977 31.700 0.129 0.000 0.951 65 A N -1.446 121.410 122.820 0.060 0.000 2.425 65 A HA 0.003 4.347 4.320 0.040 0.000 0.242 65 A C 1.290 178.904 177.584 0.049 0.000 1.077 65 A CA 0.010 52.075 52.037 0.047 0.000 0.781 65 A CB 0.879 19.904 19.000 0.042 0.000 1.020 65 A HN 0.089 8.278 8.150 0.065 0.000 0.494 66 T N -1.784 112.794 114.554 0.040 0.000 3.341 66 T HA 0.043 4.420 4.350 0.045 0.000 0.234 66 T C -1.198 173.523 174.700 0.035 0.000 0.890 66 T CA -1.102 61.021 62.100 0.039 0.000 0.952 66 T CB -1.012 67.876 68.868 0.033 0.000 1.146 66 T HN 0.211 8.576 8.240 0.035 -0.104 0.591 67 D N -0.975 119.447 120.400 0.037 0.000 2.714 67 D HA 0.019 4.544 4.640 0.028 0.131 0.278 67 D C -0.775 175.546 176.300 0.035 0.000 1.102 67 D CA -1.775 52.243 54.000 0.031 0.000 1.108 67 D CB 1.857 42.673 40.800 0.028 0.000 1.444 67 D HN -0.250 8.829 8.370 0.042 -0.684 0.568 68 G N -2.328 106.490 108.800 0.030 0.000 3.101 68 G HA2 -0.055 3.925 3.960 0.034 0.000 0.272 68 G HA3 -0.055 3.920 3.960 0.025 0.000 0.272 68 G C -0.922 173.997 174.900 0.032 0.000 0.801 68 G CA 0.325 45.444 45.100 0.030 0.000 1.978 68 G HN -0.021 8.284 8.290 0.026 0.000 0.591 69 S N 1.704 117.429 115.700 0.042 0.000 2.634 69 S HA 0.245 4.738 4.470 0.038 0.000 0.296 69 S C -0.373 174.263 174.600 0.060 0.000 1.104 69 S CA -1.578 56.650 58.200 0.047 0.000 0.920 69 S CB 3.756 66.986 63.200 0.050 0.000 1.111 69 S HN -0.342 7.959 8.310 0.048 0.037 0.493 70 G N -0.462 108.375 108.800 0.063 0.000 2.522 70 G HA2 0.331 4.359 3.960 0.069 0.000 0.304 70 G HA3 0.331 4.347 3.960 0.064 -0.017 0.304 70 G C -0.953 174.031 174.900 0.140 0.000 1.210 70 G CA -0.790 44.359 45.100 0.082 0.000 0.960 70 G HN -0.025 8.299 8.290 0.056 0.000 0.497 71 T N 3.748 118.434 114.554 0.221 0.000 2.733 71 T HA 0.103 4.572 4.350 0.198 0.000 0.294 71 T C -0.783 174.055 174.700 0.229 0.000 0.956 71 T CA 0.363 62.613 62.100 0.251 0.000 0.987 71 T CB 0.526 69.604 68.868 0.349 0.000 0.920 71 T HN 0.315 8.603 8.240 0.259 0.107 0.470 72 A N 8.578 131.504 122.820 0.177 0.000 2.425 72 A HA 0.417 5.019 4.320 0.157 -0.188 0.249 72 A C -1.380 176.323 177.584 0.198 0.000 1.084 72 A CA -0.011 52.122 52.037 0.160 0.000 0.781 72 A CB 0.858 19.925 19.000 0.111 0.000 1.019 72 A HN 0.698 8.940 8.150 0.153 0.000 0.490 73 L N -4.024 117.323 121.223 0.206 0.000 2.765 73 L HA 0.987 5.587 4.340 0.237 -0.118 0.263 73 L C -1.199 175.815 176.870 0.240 0.000 1.068 73 L CA -1.105 53.886 54.840 0.252 0.000 0.903 73 L CB 2.960 45.197 42.059 0.297 0.000 1.512 73 L HN 0.225 8.567 8.230 0.186 0.000 0.404 74 G N -3.889 105.083 108.800 0.287 0.000 2.673 74 G HA2 0.732 4.908 3.960 0.122 0.000 0.292 74 G HA3 0.732 4.728 3.960 0.117 0.034 0.292 74 G C -3.279 171.845 174.900 0.373 0.000 1.450 74 G CA 0.737 45.965 45.100 0.213 0.000 0.837 74 G HN -0.058 8.424 8.290 0.320 0.000 0.505 75 W N -3.090 118.272 121.300 0.104 0.000 3.066 75 W HA 0.734 5.536 4.660 0.063 -0.104 0.330 75 W C -3.131 173.465 176.519 0.128 0.000 1.253 75 W CA -1.602 55.787 57.345 0.073 0.000 1.187 75 W CB 2.196 31.656 29.460 -0.000 0.000 1.434 75 W HN 0.544 8.638 8.180 -0.144 0.000 0.572 76 T N 1.223 115.935 114.554 0.264 0.000 2.907 76 T HA 0.949 5.542 4.350 0.052 -0.211 0.292 76 T C -1.452 173.321 174.700 0.121 0.000 1.043 76 T CA -0.686 61.483 62.100 0.115 0.000 1.003 76 T CB 3.198 72.089 68.868 0.037 0.000 1.084 76 T HN 0.627 9.060 8.240 0.321 0.000 0.483 77 V N 3.470 123.346 119.914 -0.065 0.000 2.623 77 V HA 0.327 4.474 4.120 -0.199 -0.146 0.304 77 V C -2.406 173.331 176.094 -0.595 0.000 1.054 77 V CA -1.099 60.989 62.300 -0.353 0.000 0.882 77 V CB 3.978 35.373 31.823 -0.713 0.000 1.002 77 V HN 0.458 8.579 8.190 -0.115 0.000 0.424 78 A N 5.092 127.663 122.820 -0.416 0.000 2.288 78 A HA 0.578 4.848 4.320 -0.282 -0.119 0.320 78 A C -0.006 177.384 177.584 -0.323 0.000 1.217 78 A CA -1.784 50.090 52.037 -0.273 0.000 0.840 78 A CB 1.681 20.638 19.000 -0.071 0.000 1.179 78 A HN 0.688 8.678 8.150 -0.266 0.000 0.504 79 W N 5.457 126.713 121.300 -0.073 0.000 1.564 79 W HA -0.103 4.234 4.660 -0.537 0.000 0.448 79 W C -1.425 175.167 176.519 0.121 0.000 0.601 79 W CA -1.220 56.010 57.345 -0.193 0.000 2.326 79 W CB -0.936 28.346 29.460 -0.297 0.000 1.355 79 W HN 0.566 8.681 8.180 -0.109 0.000 0.382 80 K N 1.118 121.759 120.400 0.401 0.000 2.443 80 K HA 0.771 5.492 4.320 0.286 -0.230 0.252 80 K C -1.793 174.972 176.600 0.275 0.000 0.933 80 K CA -1.207 55.255 56.287 0.291 0.000 0.792 80 K CB 3.128 35.704 32.500 0.126 0.000 1.185 80 K HN -0.190 8.176 8.250 0.341 0.089 0.425 81 N N 5.103 123.885 118.700 0.136 0.000 3.344 81 N HA 0.208 4.928 4.740 -0.034 0.000 0.296 81 N C -0.938 174.495 175.510 -0.128 0.000 1.571 81 N CA -0.897 52.120 53.050 -0.056 0.000 0.844 81 N CB 1.045 39.343 38.487 -0.314 0.000 1.718 81 N HN 0.899 9.266 8.380 0.145 0.100 0.589 82 N N -1.541 116.972 118.700 -0.311 0.000 2.571 82 N HA 0.011 4.589 4.740 -0.271 0.000 0.189 82 N C -0.324 174.806 175.510 -0.633 0.000 1.154 82 N CA 1.821 54.583 53.050 -0.479 0.000 0.907 82 N CB -0.506 37.607 38.487 -0.624 0.000 0.977 82 N HN 0.107 8.300 8.380 -0.312 0.000 0.449 83 Y N -1.705 118.572 120.300 -0.038 0.000 2.382 83 Y HA 0.054 4.602 4.550 -0.004 0.000 0.292 83 Y C 0.023 175.938 175.900 0.024 0.000 1.151 83 Y CA 1.716 59.810 58.100 -0.010 0.000 1.198 83 Y CB 1.583 40.029 38.460 -0.023 0.000 1.195 83 Y HN -0.163 8.249 8.280 -0.219 -0.264 0.530 84 R N -2.729 117.896 120.500 0.208 0.000 2.837 84 R HA 0.231 4.640 4.340 0.116 0.000 0.271 84 R C -2.324 174.072 176.300 0.159 0.000 0.993 84 R CA -1.255 54.951 56.100 0.176 0.000 0.931 84 R CB 3.907 34.349 30.300 0.237 0.000 1.206 84 R HN 0.225 9.040 8.270 0.227 -0.409 0.474 85 N N 0.838 119.563 118.700 0.041 0.000 2.617 85 N HA 0.273 5.146 4.740 -0.001 -0.134 0.263 85 N C -1.309 174.016 175.510 -0.309 0.000 1.074 85 N CA -0.094 52.883 53.050 -0.120 0.000 0.841 85 N CB 0.486 38.839 38.487 -0.225 0.000 1.221 85 N HN 0.384 8.775 8.380 0.020 0.000 0.529 86 A N 1.619 124.369 122.820 -0.118 0.000 2.307 86 A HA 0.077 4.345 4.320 -0.087 0.000 0.218 86 A C 0.527 178.083 177.584 -0.047 0.000 1.228 86 A CA 0.049 52.036 52.037 -0.083 0.000 0.857 86 A CB 0.570 19.561 19.000 -0.016 0.000 0.897 86 A HN 0.832 9.013 8.150 0.052 0.000 0.495 87 H N -2.559 116.573 119.070 0.104 0.000 2.604 87 H HA -0.359 4.244 4.556 0.077 0.000 0.321 87 H C -1.853 173.519 175.328 0.073 0.000 1.132 87 H CA 1.045 57.137 56.048 0.074 0.000 1.129 87 H CB -2.925 26.863 29.762 0.043 0.000 1.526 87 H HN -0.259 7.945 8.280 -0.419 -0.175 0.415 88 S N -5.011 110.800 115.700 0.187 0.000 2.625 88 S HA 0.887 5.550 4.470 0.130 -0.115 0.271 88 S C -2.440 172.306 174.600 0.243 0.000 1.161 88 S CA -0.717 57.596 58.200 0.188 0.000 0.820 88 S CB 4.177 67.469 63.200 0.153 0.000 1.137 88 S HN -0.413 8.007 8.310 0.184 0.000 0.470 89 A N -1.716 121.206 122.820 0.171 0.000 2.549 89 A HA 0.779 5.157 4.320 -0.143 -0.145 0.297 89 A C -2.340 175.246 177.584 0.002 0.000 1.061 89 A CA -0.353 51.689 52.037 0.009 0.000 0.690 89 A CB 3.846 22.820 19.000 -0.043 0.000 1.287 89 A HN 0.797 9.024 8.150 0.129 0.000 0.402 90 T N 3.919 118.391 114.554 -0.136 0.000 2.863 90 T HA 1.081 5.526 4.350 -0.222 -0.228 0.285 90 T C -0.715 173.742 174.700 -0.405 0.000 1.009 90 T CA -1.185 60.731 62.100 -0.308 0.000 0.989 90 T CB 2.571 71.109 68.868 -0.551 0.000 1.004 90 T HN 0.864 8.916 8.240 -0.313 0.000 0.455 91 T N 1.769 116.076 114.554 -0.412 0.000 2.841 91 T HA 0.834 5.278 4.350 -0.186 -0.206 0.283 91 T C -1.352 173.104 174.700 -0.407 0.000 1.000 91 T CA -2.094 59.838 62.100 -0.280 0.000 0.977 91 T CB 2.716 71.498 68.868 -0.143 0.000 0.979 91 T HN 0.502 8.518 8.240 -0.372 0.000 0.446 92 W N 4.488 125.406 121.300 -0.636 0.000 2.587 92 W HA 0.489 5.134 4.660 -0.284 -0.155 0.324 92 W C -1.345 174.866 176.519 -0.515 0.000 1.040 92 W CA -1.397 55.540 57.345 -0.680 0.000 1.222 92 W CB 3.628 32.182 29.460 -1.511 0.000 1.381 92 W HN 0.857 8.848 8.180 -0.315 0.000 0.483 93 S N 1.760 117.425 115.700 -0.057 0.000 2.532 93 S HA 0.802 5.421 4.470 0.012 -0.141 0.299 93 S C -1.028 173.610 174.600 0.063 0.000 1.105 93 S CA -1.623 56.578 58.200 0.002 0.000 1.018 93 S CB 1.594 64.791 63.200 -0.005 0.000 1.021 93 S HN 0.540 8.844 8.310 -0.009 0.000 0.483 94 G N 3.771 112.635 108.800 0.107 0.000 2.450 94 G HA2 0.580 4.606 3.960 0.111 0.000 0.273 94 G HA3 0.580 4.787 3.960 0.177 -0.141 0.273 94 G C -3.460 171.534 174.900 0.157 0.000 1.221 94 G CA 0.851 46.035 45.100 0.139 0.000 0.900 94 G HN 0.552 8.913 8.290 0.118 0.000 0.483 95 Q N -3.252 116.648 119.800 0.167 0.000 2.418 95 Q HA 0.788 5.425 4.340 0.200 -0.176 0.282 95 Q C -2.585 173.524 176.000 0.181 0.000 1.044 95 Q CA -1.857 54.050 55.803 0.172 0.000 0.813 95 Q CB 4.397 33.210 28.738 0.125 0.000 1.428 95 Q HN 0.065 8.437 8.270 0.169 0.000 0.402 96 Y N 2.880 123.224 120.300 0.073 0.000 2.361 96 Y HA 0.660 5.384 4.550 0.022 -0.161 0.332 96 Y C -2.380 173.570 175.900 0.082 0.000 1.101 96 Y CA -1.610 56.516 58.100 0.043 0.000 1.137 96 Y CB 2.764 41.219 38.460 -0.009 0.000 1.207 96 Y HN 0.667 9.020 8.280 0.313 0.115 0.463 97 V N 5.926 125.387 119.914 -0.756 0.000 2.577 97 V HA 0.290 4.183 4.120 -0.378 0.000 0.303 97 V C -1.500 174.162 176.094 -0.719 0.000 1.042 97 V CA -1.171 60.821 62.300 -0.513 0.000 0.872 97 V CB 3.303 35.020 31.823 -0.176 0.000 0.998 97 V HN 0.542 8.295 8.190 -0.728 0.000 0.423 98 G N 4.481 112.976 108.800 -0.509 0.000 2.642 98 G HA2 0.488 4.358 3.960 -0.150 0.000 0.291 98 G HA3 0.488 4.468 3.960 0.034 0.000 0.291 98 G C -0.696 174.182 174.900 -0.035 0.000 1.345 98 G CA -1.658 43.340 45.100 -0.171 0.000 1.043 98 G HN 0.330 8.424 8.290 -0.327 0.000 0.528 99 G N -2.761 106.058 108.800 0.032 0.000 2.331 99 G HA2 -0.200 3.781 3.960 0.034 0.000 0.402 99 G HA3 -0.200 3.770 3.960 0.016 0.000 0.402 99 G C -1.034 173.886 174.900 0.033 0.000 1.275 99 G CA -0.660 44.457 45.100 0.028 0.000 1.003 99 G HN -0.224 8.109 8.290 0.071 0.000 0.500 100 A N -1.124 121.711 122.820 0.026 0.000 1.903 100 A HA -0.163 4.169 4.320 0.019 0.000 0.219 100 A C 0.184 177.783 177.584 0.025 0.000 1.191 100 A CA 1.987 54.037 52.037 0.022 0.000 0.638 100 A CB 0.212 19.223 19.000 0.018 0.000 0.823 100 A HN 0.186 8.350 8.150 0.023 0.000 0.451 101 E N -1.527 118.692 120.200 0.033 0.000 2.149 101 E HA 0.071 4.448 4.350 0.045 0.000 0.255 101 E C -2.141 174.500 176.600 0.068 0.000 0.888 101 E CA -1.122 55.307 56.400 0.048 0.000 0.742 101 E CB -0.777 28.952 29.700 0.048 0.000 1.164 101 E HN -0.230 8.146 8.360 0.029 0.001 0.422 102 A N 5.403 128.282 122.820 0.099 0.000 2.310 102 A HA 0.596 5.079 4.320 0.046 -0.135 0.299 102 A C -0.804 176.984 177.584 0.341 0.000 1.147 102 A CA -0.565 51.567 52.037 0.159 0.000 0.818 102 A CB 1.494 20.646 19.000 0.254 0.000 1.096 102 A HN 0.315 8.512 8.150 0.079 0.000 0.495 103 R N -2.289 118.373 120.500 0.270 0.000 2.764 103 R HA 0.838 5.733 4.340 0.682 -0.146 0.270 103 R C -1.786 174.605 176.300 0.152 0.000 1.014 103 R CA -2.161 54.154 56.100 0.358 0.000 0.904 103 R CB 2.877 33.322 30.300 0.242 0.000 1.236 103 R HN 0.549 8.845 8.270 0.043 0.000 0.466 104 I N 0.164 120.842 120.570 0.180 0.000 2.410 104 I HA 0.534 4.981 4.170 0.115 -0.208 0.286 104 I C -1.458 174.843 176.117 0.306 0.000 1.009 104 I CA -1.104 60.284 61.300 0.147 0.000 1.111 104 I CB 2.231 40.204 38.000 -0.044 0.000 1.262 104 I HN 0.225 8.631 8.210 0.327 0.000 0.443 105 N N 8.966 127.805 118.700 0.233 0.000 2.425 105 N HA 0.482 5.371 4.740 0.248 0.000 0.268 105 N C -0.954 174.704 175.510 0.246 0.000 0.991 105 N CA 0.041 53.224 53.050 0.222 0.000 0.931 105 N CB 2.215 40.785 38.487 0.137 0.000 1.130 105 N HN 0.392 8.879 8.380 0.178 0.000 0.493 106 T N 0.424 115.164 114.554 0.310 0.000 2.887 106 T HA 0.760 5.380 4.350 0.212 -0.142 0.292 106 T C -1.162 173.691 174.700 0.255 0.000 1.087 106 T CA -2.488 59.794 62.100 0.303 0.000 1.009 106 T CB 3.609 72.763 68.868 0.475 0.000 1.203 106 T HN 0.826 9.267 8.240 0.335 0.000 0.518 107 Q N 0.391 120.281 119.800 0.149 0.000 2.372 107 Q HA 0.793 5.264 4.340 -0.083 -0.180 0.273 107 Q C -1.667 174.304 176.000 -0.048 0.000 1.078 107 Q CA -0.956 54.832 55.803 -0.025 0.000 0.806 107 Q CB 4.891 33.591 28.738 -0.062 0.000 1.332 107 Q HN 0.196 8.545 8.270 0.131 0.000 0.435 108 W N -0.886 120.287 121.300 -0.212 0.000 2.975 108 W HA 1.014 5.558 4.660 -0.455 -0.156 0.342 108 W C -2.845 173.462 176.519 -0.354 0.000 1.168 108 W CA -3.036 54.033 57.345 -0.461 0.000 1.141 108 W CB 3.398 32.287 29.460 -0.952 0.000 1.445 108 W HN 1.020 8.638 8.180 -0.753 0.110 0.560 109 L N -0.391 120.836 121.223 0.006 0.000 2.376 109 L HA 0.736 5.260 4.340 -0.022 -0.197 0.275 109 L C -1.781 175.115 176.870 0.042 0.000 0.987 109 L CA -1.214 53.626 54.840 -0.000 0.000 0.828 109 L CB 2.840 44.857 42.059 -0.070 0.000 1.249 109 L HN 0.485 8.645 8.230 -0.116 0.000 0.409 110 L N 5.830 127.132 121.223 0.132 0.000 2.316 110 L HA 0.673 5.174 4.340 -0.016 -0.170 0.280 110 L C -1.722 175.161 176.870 0.022 0.000 1.006 110 L CA -1.519 53.351 54.840 0.049 0.000 0.836 110 L CB 2.716 44.808 42.059 0.054 0.000 1.221 110 L HN 0.790 9.122 8.230 0.171 0.000 0.418 111 T N 9.257 123.816 114.554 0.008 0.000 2.794 111 T HA 0.677 5.234 4.350 -0.018 -0.218 0.280 111 T C -0.642 174.068 174.700 0.017 0.000 0.987 111 T CA -0.703 61.395 62.100 -0.002 0.000 0.993 111 T CB 1.873 70.736 68.868 -0.009 0.000 0.939 111 T HN 0.774 9.020 8.240 0.009 0.000 0.449 112 S N 5.468 121.168 115.700 -0.001 0.000 2.638 112 S HA 0.488 5.122 4.470 0.053 -0.132 0.298 112 S C -0.312 174.296 174.600 0.012 0.000 1.111 112 S CA -0.751 57.459 58.200 0.017 0.000 1.027 112 S CB 2.599 65.793 63.200 -0.011 0.000 1.064 112 S HN 0.224 8.519 8.310 -0.026 0.000 0.525 113 G N 1.567 110.390 108.800 0.038 0.000 2.338 113 G HA2 0.107 4.071 3.960 0.007 0.000 0.295 113 G HA3 0.107 4.082 3.960 0.026 0.000 0.295 113 G C -1.138 173.754 174.900 -0.014 0.000 1.132 113 G CA 0.146 45.254 45.100 0.015 0.000 0.922 113 G HN 0.248 8.585 8.290 0.078 0.000 0.427 114 T N 2.515 117.054 114.554 -0.025 0.000 2.905 114 T HA 0.312 4.640 4.350 -0.038 0.000 0.283 114 T C -0.364 174.323 174.700 -0.023 0.000 1.031 114 T CA -1.637 60.442 62.100 -0.035 0.000 1.002 114 T CB 2.423 71.258 68.868 -0.054 0.000 1.200 114 T HN -0.108 8.120 8.240 -0.021 0.000 0.560 115 T N -3.036 111.508 114.554 -0.017 0.000 2.847 115 T HA 0.105 4.451 4.350 -0.007 0.000 0.279 115 T C 1.177 175.884 174.700 0.013 0.000 0.984 115 T CA -1.279 60.819 62.100 -0.003 0.000 0.988 115 T CB 1.236 70.105 68.868 0.001 0.000 1.040 115 T HN -0.131 8.097 8.240 -0.020 0.000 0.528 116 E N 1.371 121.585 120.200 0.023 0.000 2.085 116 E HA -0.386 3.987 4.350 0.038 0.000 0.194 116 E C 2.563 179.210 176.600 0.077 0.000 0.994 116 E CA 3.554 59.980 56.400 0.042 0.000 0.801 116 E CB -0.807 28.916 29.700 0.037 0.000 0.743 116 E HN 0.525 8.896 8.360 0.018 0.000 0.453 117 A N -1.087 121.778 122.820 0.076 0.000 2.042 117 A HA -0.221 4.179 4.320 0.132 0.000 0.222 117 A C 0.615 178.316 177.584 0.196 0.000 1.167 117 A CA 2.625 54.735 52.037 0.122 0.000 0.649 117 A CB -0.624 18.428 19.000 0.087 0.000 0.809 117 A HN 0.313 8.495 8.150 0.053 0.000 0.457 118 N N -4.672 114.084 118.700 0.094 0.000 2.187 118 N HA 0.106 4.848 4.740 0.003 0.000 0.212 118 N C 1.039 176.471 175.510 -0.131 0.000 1.152 118 N CA 0.044 53.080 53.050 -0.024 0.000 0.872 118 N CB 1.034 39.475 38.487 -0.076 0.000 1.025 118 N HN -0.628 7.637 8.380 0.054 0.147 0.514 119 A N 2.184 125.008 122.820 0.006 0.000 1.940 119 A HA -0.146 4.147 4.320 -0.045 0.000 0.219 119 A C 1.722 179.296 177.584 -0.016 0.000 1.176 119 A CA 3.066 55.100 52.037 -0.006 0.000 0.631 119 A CB -0.463 18.568 19.000 0.051 0.000 0.814 119 A HN 0.328 8.320 8.150 0.077 0.205 0.446 120 W N -4.507 116.789 121.300 -0.007 0.000 2.364 120 W HA -0.266 4.388 4.660 -0.011 0.000 0.281 120 W C -0.401 176.111 176.519 -0.011 0.000 1.219 120 W CA 1.073 58.412 57.345 -0.010 0.000 1.220 120 W CB -0.918 28.537 29.460 -0.010 0.000 1.127 120 W HN 0.110 8.462 8.180 0.310 0.014 0.556 121 K N -2.270 117.595 120.400 -0.891 0.000 2.832 121 K HA 0.284 4.238 4.320 -0.610 0.000 0.211 121 K C -0.095 176.234 176.600 -0.451 0.000 1.112 121 K CA -0.600 55.153 56.287 -0.890 0.000 1.108 121 K CB -0.161 31.369 32.500 -1.617 0.000 0.899 121 K HN -0.771 6.733 8.250 -1.016 0.137 0.464 122 S N -0.320 115.218 115.700 -0.269 0.000 2.524 122 S HA -0.004 4.365 4.470 -0.169 0.000 0.216 122 S C -0.603 173.934 174.600 -0.106 0.000 0.987 122 S CA 1.312 59.417 58.200 -0.159 0.000 0.909 122 S CB 1.279 64.421 63.200 -0.097 0.000 0.781 122 S HN -0.341 7.771 8.310 -0.222 0.064 0.521 123 T N 4.698 119.191 114.554 -0.102 0.000 2.809 123 T HA 0.601 5.167 4.350 -0.045 -0.243 0.284 123 T C -0.654 174.006 174.700 -0.067 0.000 0.992 123 T CA -0.192 61.869 62.100 -0.065 0.000 0.957 123 T CB 2.240 71.077 68.868 -0.052 0.000 0.942 123 T HN -0.681 7.484 8.240 -0.124 0.000 0.439 124 L N 6.399 127.604 121.223 -0.030 0.000 2.360 124 L HA 0.524 4.817 4.340 -0.077 0.000 0.271 124 L C -1.373 175.426 176.870 -0.118 0.000 1.057 124 L CA -0.787 54.035 54.840 -0.031 0.000 0.803 124 L CB 2.399 44.517 42.059 0.098 0.000 1.207 124 L HN 0.611 8.844 8.230 0.004 0.000 0.445 125 V N 0.778 120.493 119.914 -0.332 0.000 2.789 125 V HA 0.987 4.931 4.120 -0.648 -0.214 0.311 125 V C -1.508 173.944 176.094 -1.070 0.000 1.073 125 V CA -2.484 59.449 62.300 -0.611 0.000 0.921 125 V CB 3.634 35.251 31.823 -0.344 0.000 1.009 125 V HN 0.033 8.056 8.190 -0.278 0.000 0.426 126 G N 5.190 112.896 108.800 -1.823 0.000 2.682 126 G HA2 0.310 3.747 3.960 -0.871 0.000 0.303 126 G HA3 0.310 2.960 3.960 -2.183 0.000 0.303 126 G C -3.347 170.793 174.900 -1.267 0.000 1.341 126 G CA 0.037 44.124 45.100 -1.689 0.000 0.784 126 G HN 0.058 7.249 8.290 -1.832 0.000 0.497 127 H N -3.986 114.763 119.070 -0.535 0.000 2.865 127 H HA 0.488 5.061 4.556 -0.129 -0.095 0.362 127 H C -1.857 173.608 175.328 0.228 0.000 1.114 127 H CA -1.581 54.398 56.048 -0.115 0.000 1.208 127 H CB 3.425 33.127 29.762 -0.101 0.000 1.727 127 H HN 0.075 7.902 8.280 -0.756 0.000 0.534 128 D N 2.810 123.470 120.400 0.433 0.000 2.671 128 D HA 0.341 5.215 4.640 0.145 -0.147 0.232 128 D C -1.439 174.931 176.300 0.117 0.000 1.114 128 D CA -0.462 53.672 54.000 0.224 0.000 0.858 128 D CB 4.854 45.731 40.800 0.129 0.000 1.544 128 D HN 0.162 8.721 8.370 0.492 0.106 0.471 129 T N 3.731 118.255 114.554 -0.050 0.000 2.841 129 T HA 0.747 5.402 4.350 0.202 -0.184 0.285 129 T C -1.049 173.620 174.700 -0.051 0.000 0.991 129 T CA -0.266 61.875 62.100 0.068 0.000 0.966 129 T CB 1.869 70.811 68.868 0.125 0.000 0.962 129 T HN 0.327 8.812 8.240 -0.109 -0.310 0.438 130 F N 7.161 127.282 119.950 0.285 0.000 2.492 130 F HA 0.956 5.930 4.527 0.376 -0.221 0.327 130 F C -0.299 175.814 175.800 0.522 0.000 1.079 130 F CA -1.745 56.485 58.000 0.383 0.000 0.967 130 F CB 3.636 42.850 39.000 0.356 0.000 1.169 130 F HN 0.872 9.471 8.300 0.498 0.000 0.472 131 T N -3.340 111.664 114.554 0.749 0.000 2.812 131 T HA 0.565 5.495 4.350 0.726 -0.145 0.294 131 T C -0.085 174.854 174.700 0.398 0.000 1.159 131 T CA -1.687 60.755 62.100 0.571 0.000 1.008 131 T CB 3.421 72.474 68.868 0.309 0.000 1.289 131 T HN 0.664 9.320 8.240 0.694 0.000 0.514 132 K N 1.091 121.510 120.400 0.030 0.000 2.500 132 K HA 0.209 4.604 4.320 -0.095 -0.132 0.206 132 K C -1.131 175.525 176.600 0.093 0.000 1.034 132 K CA -0.512 55.701 56.287 -0.123 0.000 1.179 132 K CB -0.121 32.105 32.500 -0.457 0.000 0.884 132 K HN 0.388 8.641 8.250 0.005 0.000 0.493 133 V N 0.000 120.004 119.914 0.149 0.000 2.409 133 V HA 0.000 4.122 4.120 0.003 0.000 0.244 133 V CA 0.000 62.325 62.300 0.042 0.000 1.235 133 V CB 0.000 31.843 31.823 0.033 0.000 1.184 133 V HN 0.000 8.223 8.190 0.203 0.089 0.556