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 1hkn_1_A DATA FIRST_RESID 1010 DATA SEQUENCE KPKLLYCSNG GHFLRILPDG TVDGTRDRSD QHIQLQLSAE SVGEVYIKST DATA SEQUENCE ETGQYLAMDT DGLLYGSQTP NEECLFLERL EENHYNTYIS KKHAEKNWFV DATA SEQUENCE GLKKNGSCKR GPRTHYGQKA ILFLPLPVS 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 1010 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1010 K C 0.000 176.601 176.600 0.002 0.000 0.988 1010 K CA 0.000 56.291 56.287 0.006 0.000 0.838 1010 K CB 0.000 32.504 32.500 0.006 0.000 1.064 1011 P HA 0.299 4.719 4.420 -0.000 0.000 0.271 1011 P C -1.323 175.968 177.300 -0.015 0.000 1.244 1011 P CA -0.174 62.914 63.100 -0.020 0.000 0.793 1011 P CB 0.421 32.101 31.700 -0.034 0.000 0.984 1012 K N -0.552 119.836 120.400 -0.019 0.000 2.607 1012 K HA 0.529 4.850 4.320 0.002 0.000 0.287 1012 K C -1.567 175.029 176.600 -0.006 0.000 0.996 1012 K CA -0.940 55.343 56.287 -0.006 0.000 0.876 1012 K CB 0.733 33.244 32.500 0.018 0.000 1.496 1012 K HN 0.146 8.396 8.250 -0.000 0.000 0.415 1013 L N 1.371 122.611 121.223 0.029 0.000 2.344 1013 L HA 0.540 4.882 4.340 0.002 0.000 0.272 1013 L C -0.501 176.482 176.870 0.189 0.000 1.035 1013 L CA -1.275 53.619 54.840 0.090 0.000 0.807 1013 L CB 1.209 43.307 42.059 0.066 0.000 1.237 1013 L HN 0.452 8.682 8.230 -0.000 0.000 0.442 1014 L N 2.342 123.715 121.223 0.251 0.000 2.353 1014 L HA 0.336 4.677 4.340 0.002 0.000 0.270 1014 L C -1.145 176.010 176.870 0.475 0.000 1.003 1014 L CA -0.513 54.486 54.840 0.265 0.000 0.862 1014 L CB 1.273 43.321 42.059 -0.019 0.000 1.221 1014 L HN 0.444 8.674 8.230 -0.000 0.000 0.430 1015 Y N 3.768 124.233 120.300 0.274 0.000 2.383 1015 Y HA 0.243 4.794 4.550 0.002 0.000 0.344 1015 Y C 0.038 175.962 175.900 0.040 0.000 0.986 1015 Y CA -0.419 57.717 58.100 0.059 0.000 1.175 1015 Y CB 1.089 39.490 38.460 -0.098 0.000 1.152 1015 Y HN 0.590 8.870 8.280 -0.000 0.000 0.511 1016 C N 6.962 125.958 119.300 -0.507 0.000 2.303 1016 C HA 0.253 4.714 4.460 0.002 0.000 0.341 1016 C C 1.532 176.062 174.990 -0.766 0.000 1.244 1016 C CA 0.218 58.808 59.018 -0.712 0.000 1.765 1016 C CB -1.304 26.035 27.740 -0.668 0.000 2.379 1016 C HN 1.057 9.287 8.230 -0.000 0.000 0.530 1017 S N 4.337 119.802 115.700 -0.391 0.000 2.469 1017 S HA -0.174 4.298 4.470 0.002 0.000 0.238 1017 S C 1.631 176.081 174.600 -0.249 0.000 0.998 1017 S CA 1.515 59.584 58.200 -0.218 0.000 0.957 1017 S CB -0.474 62.716 63.200 -0.017 0.000 0.764 1017 S HN 0.891 9.201 8.310 -0.000 0.000 0.514 1018 N N 2.786 121.316 118.700 -0.284 0.000 2.013 1018 N HA -0.049 4.693 4.740 0.002 0.000 0.195 1018 N C 1.553 176.980 175.510 -0.138 0.000 1.051 1018 N CA 2.093 55.021 53.050 -0.204 0.000 0.851 1018 N CB -0.935 37.427 38.487 -0.209 0.000 1.044 1018 N HN 0.505 8.885 8.380 -0.000 0.000 0.422 1019 G N -2.877 105.867 108.800 -0.093 0.000 3.192 1019 G HA2 0.361 4.322 3.960 0.002 0.000 0.239 1019 G HA3 0.361 4.322 3.960 0.002 0.000 0.239 1019 G C 0.467 175.220 174.900 -0.244 0.000 1.084 1019 G CA 0.220 45.316 45.100 -0.006 0.000 0.784 1019 G HN 0.666 8.956 8.290 -0.000 0.000 0.540 1020 G N 0.307 108.869 108.800 -0.396 0.000 2.256 1020 G HA2 -0.225 3.736 3.960 0.002 0.000 0.272 1020 G HA3 -0.225 3.736 3.960 0.002 0.000 0.272 1020 G C -0.218 174.278 174.900 -0.673 0.000 1.076 1020 G CA 0.111 44.853 45.100 -0.597 0.000 0.882 1020 G HN 0.719 9.009 8.290 -0.000 0.000 0.497 1021 H N -1.440 117.310 119.070 -0.533 0.000 2.529 1021 H HA 0.671 5.229 4.556 0.002 0.000 0.348 1021 H C -0.115 175.045 175.328 -0.281 0.000 1.152 1021 H CA -0.707 55.164 56.048 -0.294 0.000 1.202 1021 H CB 0.911 30.604 29.762 -0.117 0.000 1.562 1021 H HN 0.138 8.418 8.280 -0.000 0.000 0.515 1022 F N 1.727 121.799 119.950 0.204 0.000 2.404 1022 F HA 0.140 4.669 4.527 0.002 0.000 0.345 1022 F C 0.143 176.037 175.800 0.156 0.000 1.110 1022 F CA -0.835 57.280 58.000 0.193 0.000 1.130 1022 F CB 0.583 39.681 39.000 0.162 0.000 1.129 1022 F HN 0.301 8.601 8.300 -0.000 0.000 0.500 1023 L N 4.914 126.325 121.223 0.313 0.000 2.499 1023 L HA 0.189 4.531 4.340 0.002 0.000 0.273 1023 L C 0.003 176.933 176.870 0.100 0.000 1.195 1023 L CA 0.454 55.381 54.840 0.145 0.000 0.882 1023 L CB 0.041 42.064 42.059 -0.061 0.000 1.133 1023 L HN 0.714 8.944 8.230 -0.000 0.000 0.483 1024 R N 5.369 125.910 120.500 0.068 0.000 2.628 1024 R HA 0.605 4.947 4.340 0.002 0.000 0.288 1024 R C -1.465 174.841 176.300 0.010 0.000 0.980 1024 R CA -0.669 55.468 56.100 0.062 0.000 0.891 1024 R CB 1.096 31.457 30.300 0.102 0.000 1.188 1024 R HN 0.742 9.012 8.270 -0.000 0.000 0.450 1025 I N 6.427 126.998 120.570 0.001 0.000 2.371 1025 I HA 0.224 4.396 4.170 0.002 0.000 0.282 1025 I C -0.094 175.955 176.117 -0.113 0.000 1.031 1025 I CA -0.652 60.623 61.300 -0.042 0.000 1.180 1025 I CB 1.296 39.269 38.000 -0.045 0.000 1.336 1025 I HN 0.467 8.677 8.210 -0.000 0.000 0.467 1026 L N 8.018 129.153 121.223 -0.147 0.000 2.464 1026 L HA 0.199 4.541 4.340 0.002 0.000 0.264 1026 L C -0.818 175.870 176.870 -0.303 0.000 1.199 1026 L CA -1.207 53.454 54.840 -0.298 0.000 0.818 1026 L CB 0.401 42.368 42.059 -0.154 0.000 1.102 1026 L HN 0.366 8.596 8.230 -0.000 0.000 0.473 1027 P HA -0.202 4.218 4.420 -0.000 0.000 0.218 1027 P C 0.514 177.762 177.300 -0.087 0.000 1.148 1027 P CA 1.394 64.370 63.100 -0.206 0.000 0.822 1027 P CB -0.078 31.530 31.700 -0.153 0.000 0.784 1028 D N -1.317 119.039 120.400 -0.073 0.000 2.363 1028 D HA 0.069 4.710 4.640 0.002 0.000 0.226 1028 D C 1.458 177.758 176.300 -0.000 0.000 1.020 1028 D CA 0.659 54.643 54.000 -0.027 0.000 0.892 1028 D CB -1.025 39.762 40.800 -0.022 0.000 0.900 1028 D HN 0.308 8.678 8.370 -0.000 0.000 0.531 1029 G N -0.973 107.827 108.800 0.001 0.000 2.176 1029 G HA2 -0.259 3.703 3.960 0.002 0.000 0.253 1029 G HA3 -0.259 3.703 3.960 0.002 0.000 0.253 1029 G C 0.431 175.374 174.900 0.073 0.000 0.979 1029 G CA 0.346 45.482 45.100 0.061 0.000 0.641 1029 G HN 0.489 8.779 8.290 -0.000 0.000 0.530 1030 T N 0.333 114.901 114.554 0.024 0.000 2.904 1030 T HA 0.566 4.917 4.350 0.002 0.000 0.290 1030 T C 0.171 174.876 174.700 0.009 0.000 1.018 1030 T CA 0.066 62.182 62.100 0.026 0.000 1.075 1030 T CB 2.314 71.185 68.868 0.004 0.000 0.986 1030 T HN 0.538 8.778 8.240 -0.000 0.000 0.523 1031 V N 3.606 123.529 119.914 0.015 0.000 2.588 1031 V HA 0.602 4.724 4.120 0.002 0.000 0.304 1031 V C -0.523 175.567 176.094 -0.007 0.000 1.042 1031 V CA -0.740 61.557 62.300 -0.004 0.000 0.877 1031 V CB 1.883 33.699 31.823 -0.011 0.000 0.996 1031 V HN 1.109 9.299 8.190 -0.000 0.000 0.425 1032 D N 2.894 123.289 120.400 -0.008 0.000 3.309 1032 D HA 0.639 5.280 4.640 0.002 0.000 0.335 1032 D C -0.225 176.075 176.300 -0.000 0.000 1.393 1032 D CA -0.111 53.877 54.000 -0.021 0.000 0.963 1032 D CB 1.437 42.219 40.800 -0.029 0.000 1.431 1032 D HN 0.769 9.139 8.370 -0.000 0.000 0.583 1033 G N -1.769 107.009 108.800 -0.036 0.000 2.619 1033 G HA2 0.563 4.525 3.960 0.002 0.000 0.296 1033 G HA3 0.563 4.525 3.960 0.002 0.000 0.296 1033 G C -1.453 173.544 174.900 0.160 0.000 1.334 1033 G CA -0.454 44.676 45.100 0.051 0.000 0.934 1033 G HN 0.560 8.850 8.290 -0.000 0.000 0.476 1034 T N -0.886 113.860 114.554 0.319 0.000 2.923 1034 T HA 0.421 4.772 4.350 0.002 0.000 0.311 1034 T C 0.620 175.531 174.700 0.352 0.000 1.183 1034 T CA -0.664 61.642 62.100 0.343 0.000 1.020 1034 T CB 1.607 70.614 68.868 0.231 0.000 1.165 1034 T HN 0.399 8.639 8.240 -0.000 0.000 0.482 1035 R N 1.162 121.796 120.500 0.225 0.000 2.276 1035 R HA 0.101 4.442 4.340 0.002 0.000 0.196 1035 R C -0.115 176.367 176.300 0.302 0.000 0.961 1035 R CA -0.068 56.131 56.100 0.166 0.000 1.024 1035 R CB 0.050 30.341 30.300 -0.015 0.000 0.940 1035 R HN 0.530 8.800 8.270 -0.000 0.000 0.480 1036 D N 1.860 122.404 120.400 0.240 0.000 2.367 1036 D HA -0.030 4.611 4.640 0.002 0.000 0.255 1036 D C 1.005 177.381 176.300 0.127 0.000 1.300 1036 D CA 0.101 54.198 54.000 0.162 0.000 0.959 1036 D CB 0.509 41.371 40.800 0.103 0.000 1.064 1036 D HN -0.066 8.304 8.370 -0.000 0.000 0.509 1037 R N 2.286 122.839 120.500 0.089 0.000 2.293 1037 R HA -0.066 4.275 4.340 0.002 0.000 0.219 1037 R C 0.842 177.038 176.300 -0.174 0.000 1.091 1037 R CA 0.659 56.644 56.100 -0.191 0.000 1.004 1037 R CB 0.216 30.443 30.300 -0.121 0.000 0.865 1037 R HN 0.254 8.524 8.270 -0.000 0.000 0.469 1038 S N 0.266 115.924 115.700 -0.069 0.000 2.593 1038 S HA -0.011 4.461 4.470 0.002 0.000 0.217 1038 S C 0.092 174.652 174.600 -0.067 0.000 0.966 1038 S CA -0.264 57.895 58.200 -0.068 0.000 0.914 1038 S CB 0.004 63.184 63.200 -0.034 0.000 0.776 1038 S HN 0.341 8.651 8.310 -0.000 0.000 0.523 1039 D N 1.542 121.913 120.400 -0.049 0.000 2.488 1039 D HA -0.021 4.620 4.640 0.002 0.000 0.238 1039 D C 0.606 176.846 176.300 -0.100 0.000 1.138 1039 D CA 0.275 54.255 54.000 -0.034 0.000 0.873 1039 D CB 0.692 41.514 40.800 0.037 0.000 1.183 1039 D HN 0.109 8.479 8.370 -0.000 0.000 0.458 1040 Q N 1.868 121.559 119.800 -0.181 0.000 2.432 1040 Q HA -0.055 4.286 4.340 0.002 0.000 0.205 1040 Q C 0.662 176.467 176.000 -0.326 0.000 0.945 1040 Q CA 0.747 56.380 55.803 -0.283 0.000 0.924 1040 Q CB 0.179 28.692 28.738 -0.375 0.000 1.016 1040 Q HN 0.566 8.836 8.270 -0.000 0.000 0.503 1041 H N 0.023 119.075 119.070 -0.029 0.000 2.519 1041 H HA 0.174 4.732 4.556 0.002 0.000 0.289 1041 H C 1.546 176.856 175.328 -0.029 0.000 1.040 1041 H CA 0.111 56.142 56.048 -0.028 0.000 1.165 1041 H CB 0.344 30.098 29.762 -0.013 0.000 1.462 1041 H HN 0.301 8.581 8.280 -0.000 0.000 0.555 1042 I N -2.418 118.169 120.570 0.030 0.000 4.082 1042 I HA 0.223 4.394 4.170 0.002 0.000 0.337 1042 I C -0.021 176.071 176.117 -0.042 0.000 1.352 1042 I CA -0.244 61.063 61.300 0.012 0.000 1.097 1042 I CB 0.430 38.431 38.000 0.001 0.000 1.048 1042 I HN -0.231 7.979 8.210 -0.000 0.000 0.393 1043 Q N 2.843 122.605 119.800 -0.064 0.000 2.344 1043 Q HA 0.530 4.872 4.340 0.002 0.000 0.253 1043 Q C -0.986 174.978 176.000 -0.061 0.000 1.050 1043 Q CA 0.446 56.205 55.803 -0.074 0.000 0.912 1043 Q CB 1.026 29.714 28.738 -0.083 0.000 1.258 1043 Q HN 0.482 8.752 8.270 -0.000 0.000 0.443 1044 L N 2.203 123.390 121.223 -0.060 0.000 2.334 1044 L HA 0.521 4.862 4.340 0.002 0.000 0.276 1044 L C -0.298 176.537 176.870 -0.059 0.000 1.014 1044 L CA -1.144 53.652 54.840 -0.073 0.000 0.815 1044 L CB 1.723 43.725 42.059 -0.095 0.000 1.268 1044 L HN 0.397 8.627 8.230 -0.000 0.000 0.428 1045 Q N 2.443 122.207 119.800 -0.061 0.000 2.348 1045 Q HA 0.534 4.875 4.340 0.002 0.000 0.265 1045 Q C -1.552 174.450 176.000 0.002 0.000 0.998 1045 Q CA -0.362 55.422 55.803 -0.031 0.000 0.831 1045 Q CB 1.492 30.205 28.738 -0.042 0.000 1.251 1045 Q HN 0.410 8.680 8.270 -0.000 0.000 0.456 1046 L N 2.691 123.930 121.223 0.028 0.000 2.307 1046 L HA 0.675 5.016 4.340 0.002 0.000 0.282 1046 L C -0.416 176.519 176.870 0.108 0.000 1.051 1046 L CA 0.077 54.961 54.840 0.073 0.000 0.804 1046 L CB 1.810 43.908 42.059 0.064 0.000 1.197 1046 L HN 0.797 9.027 8.230 -0.000 0.000 0.431 1047 S N 1.645 117.448 115.700 0.172 0.000 2.536 1047 S HA 0.927 5.398 4.470 0.002 0.000 0.287 1047 S C -0.743 173.977 174.600 0.201 0.000 1.101 1047 S CA -0.769 57.538 58.200 0.178 0.000 0.950 1047 S CB 1.886 65.209 63.200 0.205 0.000 1.056 1047 S HN 0.751 9.061 8.310 -0.000 0.000 0.481 1048 A N 1.585 124.490 122.820 0.142 0.000 2.288 1048 A HA 0.594 4.915 4.320 0.002 0.000 0.320 1048 A C 0.769 178.417 177.584 0.108 0.000 1.217 1048 A CA -0.649 51.451 52.037 0.105 0.000 0.840 1048 A CB 0.769 19.812 19.000 0.073 0.000 1.179 1048 A HN 1.064 9.214 8.150 -0.000 0.000 0.504 1049 E N 2.141 122.393 120.200 0.086 0.000 2.033 1049 E HA 0.015 4.366 4.350 0.002 0.000 0.189 1049 E C 0.279 176.904 176.600 0.043 0.000 0.979 1049 E CA 1.198 57.655 56.400 0.095 0.000 0.802 1049 E CB 0.177 29.920 29.700 0.072 0.000 0.763 1049 E HN 0.643 9.003 8.360 -0.000 0.000 0.449 1050 S N -0.310 115.396 115.700 0.010 0.000 2.671 1050 S HA 0.372 4.844 4.470 0.002 0.000 0.299 1050 S C -0.927 173.677 174.600 0.006 0.000 1.116 1050 S CA -0.892 57.311 58.200 0.004 0.000 0.912 1050 S CB 2.147 65.339 63.200 -0.013 0.000 1.130 1050 S HN 0.101 8.411 8.310 -0.000 0.000 0.501 1051 V N 2.160 122.078 119.914 0.007 0.000 2.540 1051 V HA 0.363 4.484 4.120 0.002 0.000 0.297 1051 V C 1.493 177.589 176.094 0.004 0.000 1.024 1051 V CA 1.382 63.688 62.300 0.010 0.000 1.105 1051 V CB -0.356 31.472 31.823 0.008 0.000 0.938 1051 V HN 1.331 9.521 8.190 -0.000 0.000 0.482 1052 G N 3.752 112.559 108.800 0.012 0.000 2.199 1052 G HA2 -0.210 3.751 3.960 0.002 0.000 0.254 1052 G HA3 -0.210 3.751 3.960 0.002 0.000 0.254 1052 G C 0.010 174.918 174.900 0.012 0.000 0.982 1052 G CA 0.201 45.306 45.100 0.008 0.000 0.632 1052 G HN 0.698 8.988 8.290 -0.000 0.000 0.529 1053 E N 0.044 120.244 120.200 -0.000 0.000 2.171 1053 E HA 0.589 4.941 4.350 0.002 0.000 0.271 1053 E C 0.016 176.597 176.600 -0.031 0.000 0.916 1053 E CA -0.384 55.996 56.400 -0.033 0.000 0.774 1053 E CB 2.685 32.331 29.700 -0.090 0.000 1.128 1053 E HN 0.851 9.211 8.360 -0.000 0.000 0.403 1054 V N 0.072 119.978 119.914 -0.014 0.000 3.114 1054 V HA 0.559 4.680 4.120 0.002 0.000 0.308 1054 V C -1.526 174.539 176.094 -0.047 0.000 1.168 1054 V CA -0.901 61.411 62.300 0.020 0.000 1.015 1054 V CB 1.286 33.207 31.823 0.163 0.000 1.050 1054 V HN 0.537 8.727 8.190 -0.000 0.000 0.433 1055 Y N 1.794 122.202 120.300 0.180 0.000 2.387 1055 Y HA 0.772 5.324 4.550 0.003 0.000 0.336 1055 Y C 0.170 176.190 175.900 0.201 0.000 1.067 1055 Y CA -0.969 57.273 58.100 0.237 0.000 1.114 1055 Y CB 2.000 40.616 38.460 0.260 0.000 1.208 1055 Y HN 0.583 8.863 8.280 -0.000 0.000 0.458 1056 I N 3.664 124.442 120.570 0.346 0.000 2.411 1056 I HA 0.351 4.523 4.170 0.002 0.000 0.284 1056 I C -0.644 175.497 176.117 0.041 0.000 1.012 1056 I CA -0.721 60.626 61.300 0.078 0.000 1.119 1056 I CB 1.441 39.350 38.000 -0.151 0.000 1.261 1056 I HN 0.432 8.642 8.210 -0.000 0.000 0.448 1057 K N 4.209 124.557 120.400 -0.087 0.000 2.316 1057 K HA 0.442 4.764 4.320 0.002 0.000 0.251 1057 K C -0.424 176.046 176.600 -0.216 0.000 0.934 1057 K CA -0.478 55.620 56.287 -0.316 0.000 0.802 1057 K CB 2.043 34.172 32.500 -0.617 0.000 1.171 1057 K HN 0.508 8.758 8.250 -0.000 0.000 0.426 1058 S N 1.894 117.471 115.700 -0.205 0.000 2.481 1058 S HA 0.015 4.486 4.470 0.002 0.000 0.276 1058 S C 1.189 175.720 174.600 -0.115 0.000 1.247 1058 S CA -0.167 57.968 58.200 -0.109 0.000 1.053 1058 S CB 0.602 63.774 63.200 -0.047 0.000 0.925 1058 S HN 0.735 9.045 8.310 -0.000 0.000 0.491 1059 T N 2.269 116.771 114.554 -0.086 0.000 2.951 1059 T HA -0.073 4.279 4.350 0.002 0.000 0.268 1059 T C 1.461 176.127 174.700 -0.058 0.000 1.073 1059 T CA 1.178 63.231 62.100 -0.079 0.000 1.134 1059 T CB -0.330 68.497 68.868 -0.067 0.000 0.884 1059 T HN 0.641 8.881 8.240 -0.000 0.000 0.479 1060 E N 2.159 122.336 120.200 -0.038 0.000 2.028 1060 E HA -0.089 4.263 4.350 0.002 0.000 0.190 1060 E C 2.263 178.878 176.600 0.025 0.000 0.984 1060 E CA 1.971 58.357 56.400 -0.023 0.000 0.800 1060 E CB -0.517 29.143 29.700 -0.067 0.000 0.758 1060 E HN 0.738 9.098 8.360 -0.000 0.000 0.448 1061 T N -4.076 110.513 114.554 0.058 0.000 3.040 1061 T HA 0.332 4.683 4.350 0.002 0.000 0.250 1061 T C 1.483 176.174 174.700 -0.015 0.000 1.058 1061 T CA 0.452 62.578 62.100 0.043 0.000 0.988 1061 T CB 0.380 69.281 68.868 0.056 0.000 0.993 1061 T HN 0.340 8.580 8.240 -0.000 0.000 0.519 1062 G N 1.400 110.159 108.800 -0.068 0.000 2.168 1062 G HA2 -0.276 3.685 3.960 0.002 0.000 0.263 1062 G HA3 -0.276 3.685 3.960 0.002 0.000 0.263 1062 G C -0.075 174.706 174.900 -0.198 0.000 0.977 1062 G CA 0.271 45.290 45.100 -0.134 0.000 0.659 1062 G HN 0.683 8.973 8.290 -0.000 0.000 0.533 1063 Q N -0.955 118.764 119.800 -0.134 0.000 2.368 1063 Q HA 0.561 4.902 4.340 0.002 0.000 0.237 1063 Q C -0.528 175.347 176.000 -0.207 0.000 0.987 1063 Q CA -0.131 55.627 55.803 -0.076 0.000 0.896 1063 Q CB 0.669 29.401 28.738 -0.010 0.000 1.241 1063 Q HN 0.423 8.693 8.270 -0.000 0.000 0.485 1064 Y N 0.394 120.695 120.300 0.002 0.000 2.409 1064 Y HA 0.291 4.843 4.550 0.002 0.000 0.339 1064 Y C -0.184 175.701 175.900 -0.024 0.000 1.033 1064 Y CA -0.992 57.117 58.100 0.015 0.000 1.094 1064 Y CB 1.060 39.550 38.460 0.050 0.000 1.210 1064 Y HN 0.494 8.774 8.280 -0.000 0.000 0.456 1065 L N 3.029 124.333 121.223 0.135 0.000 2.456 1065 L HA 0.614 4.956 4.340 0.002 0.000 0.272 1065 L C -0.227 176.755 176.870 0.186 0.000 1.189 1065 L CA 0.404 55.264 54.840 0.032 0.000 0.846 1065 L CB -0.082 41.902 42.059 -0.126 0.000 1.111 1065 L HN 0.767 8.997 8.230 -0.000 0.000 0.475 1066 A N 5.874 128.661 122.820 -0.054 0.000 2.599 1066 A HA 0.747 5.069 4.320 0.002 0.000 0.290 1066 A C -1.356 176.182 177.584 -0.076 0.000 1.101 1066 A CA -0.637 51.324 52.037 -0.126 0.000 0.674 1066 A CB 1.330 19.924 19.000 -0.677 0.000 1.277 1066 A HN 0.767 8.917 8.150 -0.000 0.000 0.419 1067 M N 1.990 121.682 119.600 0.154 0.000 2.267 1067 M HA 0.428 4.910 4.480 0.002 0.000 0.289 1067 M C -1.377 175.220 176.300 0.494 0.000 1.043 1067 M CA -0.580 54.935 55.300 0.358 0.000 0.928 1067 M CB 1.547 34.392 32.600 0.410 0.000 1.613 1067 M HN 0.988 9.278 8.290 -0.000 0.000 0.450 1068 D N 2.366 123.073 120.400 0.511 0.000 2.414 1068 D HA 0.121 4.762 4.640 0.002 0.000 0.251 1068 D C 1.042 177.530 176.300 0.314 0.000 1.252 1068 D CA 0.233 54.455 54.000 0.369 0.000 0.999 1068 D CB 0.252 41.129 40.800 0.129 0.000 1.093 1068 D HN 0.717 9.087 8.370 -0.000 0.000 0.515 1069 T N -3.875 110.840 114.554 0.269 0.000 3.077 1069 T HA -0.117 4.235 4.350 0.002 0.000 0.269 1069 T C 0.464 175.273 174.700 0.182 0.000 1.146 1069 T CA 0.848 63.095 62.100 0.246 0.000 1.091 1069 T CB -0.298 68.697 68.868 0.212 0.000 0.892 1069 T HN 0.388 8.628 8.240 -0.000 0.000 0.533 1070 D N 0.540 120.971 120.400 0.052 0.000 2.431 1070 D HA 0.272 4.913 4.640 0.002 0.000 0.213 1070 D C 1.503 177.506 176.300 -0.496 0.000 1.130 1070 D CA 0.544 54.490 54.000 -0.090 0.000 0.834 1070 D CB 0.466 41.232 40.800 -0.056 0.000 0.985 1070 D HN 0.578 8.948 8.370 -0.000 0.000 0.504 1071 G N 1.416 109.858 108.800 -0.597 0.000 2.141 1071 G HA2 -0.259 3.703 3.960 0.002 0.000 0.242 1071 G HA3 -0.259 3.703 3.960 0.002 0.000 0.242 1071 G C 0.211 174.934 174.900 -0.294 0.000 0.982 1071 G CA -0.253 44.353 45.100 -0.824 0.000 0.662 1071 G HN 0.300 8.590 8.290 -0.000 0.000 0.527 1072 L N 0.906 122.070 121.223 -0.098 0.000 2.290 1072 L HA 0.499 4.841 4.340 0.002 0.000 0.284 1072 L C 1.141 178.108 176.870 0.161 0.000 1.078 1072 L CA -0.812 54.035 54.840 0.011 0.000 0.815 1072 L CB 1.095 43.164 42.059 0.017 0.000 1.162 1072 L HN 0.049 8.279 8.230 -0.000 0.000 0.435 1073 L N 4.509 125.808 121.223 0.127 0.000 2.397 1073 L HA 0.299 4.641 4.340 0.002 0.000 0.271 1073 L C -0.491 176.513 176.870 0.224 0.000 1.148 1073 L CA -0.072 54.858 54.840 0.149 0.000 0.825 1073 L CB 0.493 42.589 42.059 0.061 0.000 1.117 1073 L HN 0.528 8.758 8.230 -0.000 0.000 0.456 1074 Y N 0.195 120.541 120.300 0.077 0.000 2.656 1074 Y HA 0.684 5.235 4.550 0.002 0.000 0.334 1074 Y C -0.331 175.614 175.900 0.075 0.000 1.179 1074 Y CA -1.418 56.716 58.100 0.058 0.000 1.050 1074 Y CB 1.221 39.715 38.460 0.056 0.000 1.308 1074 Y HN 0.450 8.730 8.280 -0.000 0.000 0.456 1075 G N 1.209 110.109 108.800 0.167 0.000 2.329 1075 G HA2 0.433 4.394 3.960 0.002 0.000 0.309 1075 G HA3 0.433 4.394 3.960 0.002 0.000 0.309 1075 G C -1.109 173.919 174.900 0.215 0.000 1.110 1075 G CA -0.558 44.587 45.100 0.074 0.000 0.923 1075 G HN 0.666 8.956 8.290 -0.000 0.000 0.430 1076 S N 1.657 117.429 115.700 0.121 0.000 2.480 1076 S HA 0.185 4.657 4.470 0.002 0.000 0.286 1076 S C 1.234 175.973 174.600 0.232 0.000 1.180 1076 S CA -0.611 57.752 58.200 0.272 0.000 1.075 1076 S CB 1.141 64.472 63.200 0.218 0.000 0.996 1076 S HN 0.634 8.944 8.310 -0.000 0.000 0.487 1077 Q N 2.086 122.003 119.800 0.196 0.000 2.472 1077 Q HA 0.051 4.392 4.340 0.002 0.000 0.208 1077 Q C 0.351 176.455 176.000 0.174 0.000 0.958 1077 Q CA 0.522 56.418 55.803 0.154 0.000 0.932 1077 Q CB 0.085 28.885 28.738 0.103 0.000 1.007 1077 Q HN 0.815 9.085 8.270 -0.000 0.000 0.508 1078 T N -1.610 113.043 114.554 0.165 0.000 2.909 1078 T HA 0.437 4.788 4.350 0.002 0.000 0.299 1078 T C -2.976 171.688 174.700 -0.060 0.000 1.073 1078 T CA -2.304 59.843 62.100 0.079 0.000 0.999 1078 T CB 2.456 71.344 68.868 0.034 0.000 1.098 1078 T HN -0.212 8.028 8.240 -0.000 0.000 0.477 1079 P HA 0.268 4.688 4.420 -0.000 0.000 0.282 1079 P C -0.963 176.182 177.300 -0.259 0.000 1.262 1079 P CA -0.201 62.511 63.100 -0.647 0.000 0.773 1079 P CB 0.534 31.570 31.700 -1.108 0.000 0.879 1080 N N 1.303 119.931 118.700 -0.120 0.000 2.972 1080 N HA 0.115 4.856 4.740 0.002 0.000 0.262 1080 N C 0.674 176.189 175.510 0.008 0.000 1.478 1080 N CA -0.858 52.174 53.050 -0.029 0.000 0.841 1080 N CB 1.128 39.621 38.487 0.009 0.000 1.512 1080 N HN 0.271 8.651 8.380 -0.000 0.000 0.548 1081 E N -0.197 119.995 120.200 -0.014 0.000 2.333 1081 E HA -0.180 4.172 4.350 0.002 0.000 0.198 1081 E C 0.520 177.045 176.600 -0.124 0.000 1.007 1081 E CA 1.279 57.641 56.400 -0.064 0.000 0.845 1081 E CB -0.302 29.352 29.700 -0.075 0.000 0.766 1081 E HN 0.589 8.949 8.360 -0.000 0.000 0.507 1082 E N -0.167 119.995 120.200 -0.064 0.000 2.502 1082 E HA 0.003 4.355 4.350 0.002 0.000 0.194 1082 E C 0.932 177.411 176.600 -0.202 0.000 1.062 1082 E CA 0.265 56.619 56.400 -0.076 0.000 0.867 1082 E CB 0.194 29.971 29.700 0.129 0.000 0.888 1082 E HN 0.386 8.746 8.360 -0.000 0.000 0.510 1083 C N 0.558 119.762 119.300 -0.160 0.000 2.926 1083 C HA 0.252 4.713 4.460 0.002 0.000 0.272 1083 C C 0.982 175.814 174.990 -0.263 0.000 1.249 1083 C CA -0.536 58.437 59.018 -0.076 0.000 1.691 1083 C CB -0.503 27.323 27.740 0.143 0.000 1.983 1083 C HN 0.276 8.506 8.230 -0.000 0.000 0.615 1084 L N 1.593 122.521 121.223 -0.492 0.000 2.319 1084 L HA 0.411 4.753 4.340 0.002 0.000 0.280 1084 L C -0.780 175.674 176.870 -0.694 0.000 1.099 1084 L CA 0.290 54.785 54.840 -0.575 0.000 0.828 1084 L CB 0.506 42.290 42.059 -0.457 0.000 1.150 1084 L HN 0.159 8.389 8.230 -0.000 0.000 0.442 1085 F N 3.295 123.175 119.950 -0.116 0.000 2.551 1085 F HA 0.452 4.981 4.527 0.002 0.000 0.316 1085 F C -0.149 175.662 175.800 0.018 0.000 1.089 1085 F CA -0.655 57.350 58.000 0.008 0.000 0.915 1085 F CB 1.685 40.754 39.000 0.115 0.000 1.186 1085 F HN 0.148 8.448 8.300 -0.000 0.000 0.456 1086 L N 2.475 123.814 121.223 0.193 0.000 2.261 1086 L HA 0.313 4.654 4.340 0.002 0.000 0.289 1086 L C 0.105 177.026 176.870 0.084 0.000 1.059 1086 L CA -0.297 54.596 54.840 0.087 0.000 0.816 1086 L CB 0.816 42.887 42.059 0.020 0.000 1.191 1086 L HN 0.634 8.864 8.230 -0.000 0.000 0.431 1087 E N 4.977 125.201 120.200 0.040 0.000 2.223 1087 E HA 0.209 4.561 4.350 0.002 0.000 0.282 1087 E C -0.803 175.718 176.600 -0.132 0.000 1.046 1087 E CA -0.628 55.680 56.400 -0.153 0.000 0.857 1087 E CB 0.570 30.261 29.700 -0.014 0.000 1.055 1087 E HN 0.380 8.740 8.360 -0.000 0.000 0.409 1088 R N 4.212 124.606 120.500 -0.177 0.000 2.502 1088 R HA 0.276 4.617 4.340 0.002 0.000 0.300 1088 R C -0.787 175.474 176.300 -0.066 0.000 0.984 1088 R CA -1.129 54.928 56.100 -0.071 0.000 0.882 1088 R CB 1.142 31.445 30.300 0.005 0.000 1.180 1088 R HN 0.542 8.812 8.270 -0.000 0.000 0.444 1089 L N 2.583 123.772 121.223 -0.057 0.000 2.416 1089 L HA 0.177 4.519 4.340 0.002 0.000 0.272 1089 L C 0.181 177.058 176.870 0.012 0.000 1.161 1089 L CA 0.729 55.534 54.840 -0.058 0.000 0.845 1089 L CB 0.439 42.433 42.059 -0.109 0.000 1.119 1089 L HN 0.406 8.636 8.230 -0.000 0.000 0.464 1090 E N 2.920 123.157 120.200 0.062 0.000 2.243 1090 E HA 0.210 4.561 4.350 0.002 0.000 0.260 1090 E C 0.771 177.447 176.600 0.127 0.000 0.985 1090 E CA -0.652 55.826 56.400 0.131 0.000 0.858 1090 E CB 0.874 30.690 29.700 0.193 0.000 1.210 1090 E HN 0.545 8.905 8.360 -0.000 0.000 0.411 1091 E N 1.229 121.511 120.200 0.137 0.000 2.114 1091 E HA -0.217 4.134 4.350 0.002 0.000 0.199 1091 E C 1.157 177.836 176.600 0.131 0.000 1.008 1091 E CA 1.260 57.732 56.400 0.120 0.000 0.810 1091 E CB -0.205 29.556 29.700 0.101 0.000 0.739 1091 E HN 0.476 8.836 8.360 -0.000 0.000 0.456 1092 N N 0.070 118.835 118.700 0.109 0.000 2.521 1092 N HA -0.159 4.583 4.740 0.002 0.000 0.188 1092 N C 0.029 175.705 175.510 0.277 0.000 1.146 1092 N CA 0.896 54.005 53.050 0.098 0.000 0.893 1092 N CB -0.148 38.300 38.487 -0.065 0.000 0.975 1092 N HN 0.232 8.612 8.380 -0.000 0.000 0.451 1093 H N -2.555 116.608 119.070 0.155 0.000 3.270 1093 H HA -0.162 4.395 4.556 0.002 0.000 0.215 1093 H C -0.939 174.561 175.328 0.285 0.000 1.133 1093 H CA 0.713 56.872 56.048 0.186 0.000 1.150 1093 H CB -2.034 27.820 29.762 0.154 0.000 1.166 1093 H HN 0.439 8.719 8.280 -0.000 0.000 0.315 1094 Y N 0.181 120.528 120.300 0.078 0.000 2.408 1094 Y HA 0.344 4.895 4.550 0.003 0.000 0.324 1094 Y C 1.095 177.017 175.900 0.036 0.000 1.302 1094 Y CA -0.504 57.643 58.100 0.078 0.000 1.384 1094 Y CB 0.833 39.333 38.460 0.068 0.000 1.367 1094 Y HN 0.163 8.443 8.280 -0.000 0.000 0.525 1095 N N -0.384 118.430 118.700 0.191 0.000 2.361 1095 N HA 0.334 5.076 4.740 0.002 0.000 0.302 1095 N C -1.478 174.067 175.510 0.058 0.000 1.074 1095 N CA -0.667 52.394 53.050 0.018 0.000 0.850 1095 N CB 1.642 40.063 38.487 -0.110 0.000 1.228 1095 N HN 0.479 8.859 8.380 -0.000 0.000 0.491 1096 T N -0.922 113.596 114.554 -0.060 0.000 2.888 1096 T HA 0.445 4.797 4.350 0.002 0.000 0.284 1096 T C -1.084 173.542 174.700 -0.123 0.000 1.017 1096 T CA -0.521 61.663 62.100 0.141 0.000 1.022 1096 T CB 0.814 69.868 68.868 0.308 0.000 1.013 1096 T HN 0.287 8.527 8.240 -0.000 0.000 0.465 1097 Y N 1.667 122.187 120.300 0.366 0.000 2.376 1097 Y HA 0.554 5.106 4.550 0.003 0.000 0.326 1097 Y C -0.050 176.052 175.900 0.336 0.000 0.970 1097 Y CA -1.137 57.102 58.100 0.231 0.000 1.248 1097 Y CB 1.268 39.689 38.460 -0.066 0.000 1.117 1097 Y HN 0.753 9.033 8.280 -0.000 0.000 0.476 1098 I N 2.157 122.939 120.570 0.353 0.000 2.437 1098 I HA 0.398 4.570 4.170 0.002 0.000 0.298 1098 I C 0.188 176.484 176.117 0.297 0.000 0.984 1098 I CA -0.491 60.898 61.300 0.148 0.000 1.214 1098 I CB 1.204 39.051 38.000 -0.256 0.000 1.365 1098 I HN 0.551 8.761 8.210 -0.000 0.000 0.469 1099 S N 6.214 122.083 115.700 0.282 0.000 2.515 1099 S HA 0.004 4.475 4.470 0.002 0.000 0.285 1099 S C 1.112 175.659 174.600 -0.088 0.000 1.265 1099 S CA 0.060 58.307 58.200 0.079 0.000 1.079 1099 S CB 0.510 63.865 63.200 0.260 0.000 0.877 1099 S HN 0.846 9.156 8.310 -0.000 0.000 0.493 1100 K N 4.517 124.778 120.400 -0.231 0.000 2.057 1100 K HA -0.110 4.211 4.320 0.002 0.000 0.206 1100 K C 2.090 178.548 176.600 -0.238 0.000 1.050 1100 K CA 1.496 57.662 56.287 -0.202 0.000 0.935 1100 K CB -0.232 32.135 32.500 -0.223 0.000 0.715 1100 K HN 0.727 8.977 8.250 -0.000 0.000 0.439 1101 K N -0.329 119.874 120.400 -0.328 0.000 2.103 1101 K HA -0.160 4.162 4.320 0.002 0.000 0.207 1101 K C 0.654 176.901 176.600 -0.588 0.000 1.048 1101 K CA 1.430 57.437 56.287 -0.465 0.000 0.930 1101 K CB 0.043 32.182 32.500 -0.602 0.000 0.716 1101 K HN 0.342 8.592 8.250 -0.000 0.000 0.444 1102 H N -1.018 117.968 119.070 -0.141 0.000 2.467 1102 H HA 0.276 4.833 4.556 0.002 0.000 0.275 1102 H C 0.943 176.103 175.328 -0.279 0.000 1.131 1102 H CA 0.356 56.239 56.048 -0.274 0.000 0.989 1102 H CB 0.853 30.436 29.762 -0.298 0.000 1.696 1102 H HN 0.275 8.555 8.280 -0.000 0.000 0.574 1103 A N 1.560 124.293 122.820 -0.146 0.000 1.940 1103 A HA -0.178 4.143 4.320 0.002 0.000 0.219 1103 A C 2.217 179.704 177.584 -0.162 0.000 1.176 1103 A CA 1.571 53.518 52.037 -0.149 0.000 0.631 1103 A CB -0.055 18.867 19.000 -0.129 0.000 0.814 1103 A HN 0.389 8.539 8.150 -0.000 0.000 0.446 1104 E N 0.665 120.766 120.200 -0.166 0.000 2.515 1104 E HA -0.128 4.224 4.350 0.002 0.000 0.201 1104 E C 0.909 177.398 176.600 -0.184 0.000 1.071 1104 E CA 1.081 57.393 56.400 -0.147 0.000 0.880 1104 E CB -0.261 29.362 29.700 -0.129 0.000 0.828 1104 E HN 0.681 9.041 8.360 -0.000 0.000 0.540 1105 K N 0.224 120.448 120.400 -0.294 0.000 2.374 1105 K HA 0.139 4.460 4.320 0.002 0.000 0.202 1105 K C -0.058 176.432 176.600 -0.184 0.000 1.040 1105 K CA -0.148 55.899 56.287 -0.399 0.000 1.085 1105 K CB 0.345 32.188 32.500 -1.094 0.000 0.873 1105 K HN -0.079 8.171 8.250 -0.000 0.000 0.539 1106 N N 0.782 119.399 118.700 -0.139 0.000 2.740 1106 N HA -0.153 4.588 4.740 0.002 0.000 0.248 1106 N C -1.515 174.015 175.510 0.033 0.000 1.062 1106 N CA 0.767 53.752 53.050 -0.107 0.000 0.704 1106 N CB -0.971 37.614 38.487 0.163 0.000 0.968 1106 N HN 0.250 8.630 8.380 -0.000 0.000 0.547 1107 W N 0.943 122.155 121.300 -0.147 0.000 2.416 1107 W HA 0.408 5.069 4.660 0.002 0.000 0.318 1107 W C 0.586 177.081 176.519 -0.041 0.000 1.150 1107 W CA -0.459 56.891 57.345 0.008 0.000 1.392 1107 W CB -0.656 28.846 29.460 0.070 0.000 1.311 1107 W HN -0.027 8.153 8.180 -0.000 0.000 0.436 1108 F N 1.323 121.494 119.950 0.368 0.000 2.408 1108 F HA 0.439 4.967 4.527 0.002 0.000 0.325 1108 F C 0.556 176.508 175.800 0.254 0.000 1.082 1108 F CA -1.176 57.009 58.000 0.308 0.000 1.032 1108 F CB 0.371 39.524 39.000 0.254 0.000 1.259 1108 F HN -0.292 8.008 8.300 -0.000 0.000 0.503 1109 V N 1.206 121.392 119.914 0.453 0.000 2.530 1109 V HA 0.659 4.781 4.120 0.002 0.000 0.282 1109 V C 0.344 176.680 176.094 0.404 0.000 1.048 1109 V CA -0.050 62.392 62.300 0.236 0.000 0.997 1109 V CB 0.631 32.399 31.823 -0.091 0.000 0.987 1109 V HN 0.886 9.076 8.190 -0.000 0.000 0.477 1110 G N 4.431 113.411 108.800 0.300 0.000 2.720 1110 G HA2 0.675 4.636 3.960 0.002 0.000 0.295 1110 G HA3 0.675 4.636 3.960 0.002 0.000 0.295 1110 G C -1.770 173.230 174.900 0.167 0.000 1.437 1110 G CA -0.690 44.572 45.100 0.271 0.000 0.886 1110 G HN 0.569 8.859 8.290 -0.000 0.000 0.509 1111 L N 0.896 122.163 121.223 0.074 0.000 2.365 1111 L HA 0.511 4.853 4.340 0.002 0.000 0.273 1111 L C 0.258 177.072 176.870 -0.094 0.000 1.000 1111 L CA -1.007 53.824 54.840 -0.015 0.000 0.819 1111 L CB 2.481 44.529 42.059 -0.018 0.000 1.284 1111 L HN 0.418 8.648 8.230 -0.000 0.000 0.418 1112 K N 1.281 121.619 120.400 -0.103 0.000 2.120 1112 K HA 0.216 4.538 4.320 0.002 0.000 0.245 1112 K C 0.592 177.127 176.600 -0.108 0.000 1.024 1112 K CA -0.545 55.684 56.287 -0.097 0.000 0.906 1112 K CB 1.006 33.458 32.500 -0.079 0.000 1.051 1112 K HN 0.434 8.684 8.250 -0.000 0.000 0.491 1113 K N 1.163 121.525 120.400 -0.064 0.000 2.360 1113 K HA -0.132 4.189 4.320 0.002 0.000 0.201 1113 K C 1.204 177.837 176.600 0.055 0.000 1.046 1113 K CA 1.115 57.398 56.287 -0.005 0.000 0.945 1113 K CB -0.084 32.407 32.500 -0.016 0.000 0.750 1113 K HN 0.516 8.766 8.250 -0.000 0.000 0.464 1114 N N -0.418 118.261 118.700 -0.035 0.000 2.336 1114 N HA -0.015 4.726 4.740 0.002 0.000 0.189 1114 N C 1.003 176.392 175.510 -0.202 0.000 1.113 1114 N CA 0.962 53.994 53.050 -0.030 0.000 0.858 1114 N CB 0.766 39.234 38.487 -0.031 0.000 0.970 1114 N HN 0.206 8.586 8.380 -0.000 0.000 0.471 1115 G N -0.449 108.022 108.800 -0.547 0.000 2.199 1115 G HA2 -0.275 3.687 3.960 0.002 0.000 0.254 1115 G HA3 -0.275 3.687 3.960 0.002 0.000 0.254 1115 G C -0.077 174.604 174.900 -0.364 0.000 0.982 1115 G CA 0.336 44.880 45.100 -0.927 0.000 0.632 1115 G HN 0.459 8.749 8.290 -0.000 0.000 0.529 1116 S N 0.533 116.110 115.700 -0.206 0.000 2.592 1116 S HA 0.480 4.952 4.470 0.002 0.000 0.271 1116 S C 1.250 175.800 174.600 -0.085 0.000 1.326 1116 S CA -0.052 58.083 58.200 -0.110 0.000 1.024 1116 S CB 0.994 64.151 63.200 -0.072 0.000 0.921 1116 S HN 1.384 9.694 8.310 -0.000 0.000 0.527 1117 C N 2.198 121.471 119.300 -0.046 0.000 2.657 1117 C HA 0.577 5.038 4.460 0.002 0.000 0.404 1117 C C 0.254 175.232 174.990 -0.020 0.000 1.291 1117 C CA -0.976 58.031 59.018 -0.017 0.000 2.218 1117 C CB -0.786 26.953 27.740 -0.001 0.000 2.687 1117 C HN 0.853 9.083 8.230 -0.000 0.000 0.634 1118 K N 1.336 121.733 120.400 -0.004 0.000 2.123 1118 K HA 0.446 4.767 4.320 0.002 0.000 0.259 1118 K C 0.025 176.610 176.600 -0.026 0.000 0.960 1118 K CA -0.456 55.822 56.287 -0.015 0.000 0.872 1118 K CB 0.771 33.268 32.500 -0.004 0.000 1.079 1118 K HN 0.796 9.046 8.250 -0.000 0.000 0.440 1119 R N 1.321 121.781 120.500 -0.066 0.000 2.441 1119 R HA 0.084 4.426 4.340 0.002 0.000 0.284 1119 R C 1.287 177.461 176.300 -0.211 0.000 1.070 1119 R CA 0.139 56.151 56.100 -0.148 0.000 1.047 1119 R CB 0.877 31.071 30.300 -0.176 0.000 1.016 1119 R HN 0.983 9.253 8.270 -0.000 0.000 0.477 1120 G N 3.815 112.375 108.800 -0.400 0.000 2.574 1120 G HA2 -0.241 3.720 3.960 0.002 0.000 0.220 1120 G HA3 -0.241 3.720 3.960 0.002 0.000 0.220 1120 G C -0.739 173.839 174.900 -0.537 0.000 1.173 1120 G CA 0.593 45.364 45.100 -0.549 0.000 0.772 1120 G HN 0.526 8.816 8.290 -0.000 0.000 0.585 1121 P HA -0.041 4.379 4.420 -0.000 0.000 0.226 1121 P C 1.191 178.523 177.300 0.053 0.000 1.153 1121 P CA 0.699 63.744 63.100 -0.091 0.000 0.777 1121 P CB 0.109 31.769 31.700 -0.066 0.000 0.794 1122 R N 0.284 120.779 120.500 -0.009 0.000 2.317 1122 R HA 0.129 4.470 4.340 0.002 0.000 0.208 1122 R C 1.106 177.468 176.300 0.103 0.000 0.914 1122 R CA 0.507 56.637 56.100 0.050 0.000 1.060 1122 R CB -0.452 29.847 30.300 -0.002 0.000 1.015 1122 R HN 0.326 8.596 8.270 -0.000 0.000 0.498 1123 T N -0.825 113.824 114.554 0.158 0.000 2.932 1123 T HA 0.521 4.872 4.350 0.002 0.000 0.289 1123 T C -0.278 174.640 174.700 0.363 0.000 1.039 1123 T CA -0.668 61.538 62.100 0.177 0.000 1.024 1123 T CB 2.304 71.319 68.868 0.245 0.000 1.090 1123 T HN 0.385 8.625 8.240 -0.000 0.000 0.496 1124 H N -0.138 119.035 119.070 0.172 0.000 3.024 1124 H HA 0.263 4.820 4.556 0.002 0.000 0.324 1124 H C -1.754 173.526 175.328 -0.080 0.000 1.347 1124 H CA -0.906 55.276 56.048 0.223 0.000 1.182 1124 H CB 0.326 30.204 29.762 0.193 0.000 1.889 1124 H HN 0.679 8.959 8.280 -0.000 0.000 0.528 1125 Y N 1.130 121.405 120.300 -0.042 0.000 2.757 1125 Y HA 0.245 4.796 4.550 0.002 0.000 0.344 1125 Y C 1.655 177.485 175.900 -0.116 0.000 1.263 1125 Y CA 3.191 61.155 58.100 -0.227 0.000 1.493 1125 Y CB 0.058 38.523 38.460 0.008 0.000 1.342 1125 Y HN 1.103 9.383 8.280 -0.000 0.000 0.627 1126 G N 2.336 110.496 108.800 -1.067 0.000 2.317 1126 G HA2 -0.267 3.694 3.960 0.002 0.000 0.227 1126 G HA3 -0.267 3.694 3.960 0.002 0.000 0.227 1126 G C 0.235 174.823 174.900 -0.519 0.000 1.042 1126 G CA 0.143 44.856 45.100 -0.644 0.000 0.623 1126 G HN 0.663 8.953 8.290 -0.000 0.000 0.509 1127 Q N 0.494 119.951 119.800 -0.571 0.000 2.361 1127 Q HA 0.404 4.745 4.340 0.002 0.000 0.276 1127 Q C 1.275 177.035 176.000 -0.399 0.000 1.022 1127 Q CA 0.512 56.034 55.803 -0.468 0.000 0.898 1127 Q CB 0.918 29.343 28.738 -0.522 0.000 1.246 1127 Q HN 0.418 8.688 8.270 -0.000 0.000 0.410 1128 K N 1.597 121.811 120.400 -0.309 0.000 2.365 1128 K HA -0.011 4.310 4.320 0.002 0.000 0.197 1128 K C 1.505 177.925 176.600 -0.299 0.000 1.042 1128 K CA 0.783 56.897 56.287 -0.290 0.000 0.987 1128 K CB 0.128 32.487 32.500 -0.235 0.000 0.779 1128 K HN 0.699 8.949 8.250 -0.000 0.000 0.484 1129 A N 1.338 123.994 122.820 -0.274 0.000 2.015 1129 A HA -0.075 4.247 4.320 0.002 0.000 0.219 1129 A C 1.834 179.261 177.584 -0.262 0.000 1.163 1129 A CA 1.115 53.003 52.037 -0.248 0.000 0.646 1129 A CB -0.568 18.331 19.000 -0.168 0.000 0.806 1129 A HN 0.532 8.682 8.150 -0.000 0.000 0.448 1130 I N -3.382 117.042 120.570 -0.244 0.000 3.875 1130 I HA 0.361 4.533 4.170 0.002 0.000 0.329 1130 I C -0.404 175.687 176.117 -0.043 0.000 1.295 1130 I CA -0.213 61.038 61.300 -0.081 0.000 1.129 1130 I CB 0.027 37.893 38.000 -0.224 0.000 1.008 1130 I HN -0.042 8.168 8.210 -0.000 0.000 0.413 1131 L N 1.968 123.044 121.223 -0.244 0.000 2.264 1131 L HA 0.501 4.842 4.340 0.002 0.000 0.289 1131 L C -1.145 175.659 176.870 -0.111 0.000 1.044 1131 L CA -0.322 54.502 54.840 -0.027 0.000 0.807 1131 L CB 1.040 43.073 42.059 -0.043 0.000 1.192 1131 L HN 0.021 8.251 8.230 -0.000 0.000 0.425 1132 F N 3.595 123.719 119.950 0.289 0.000 2.529 1132 F HA 0.412 4.940 4.527 0.002 0.000 0.320 1132 F C -0.253 175.508 175.800 -0.065 0.000 1.118 1132 F CA -0.733 57.367 58.000 0.166 0.000 0.915 1132 F CB 2.004 41.145 39.000 0.236 0.000 1.161 1132 F HN 0.203 8.503 8.300 -0.000 0.000 0.445 1133 L N 7.217 128.334 121.223 -0.176 0.000 2.255 1133 L HA 0.555 4.896 4.340 0.002 0.000 0.289 1133 L C -2.428 174.442 176.870 -0.001 0.000 1.046 1133 L CA -2.336 52.253 54.840 -0.418 0.000 0.816 1133 L CB 0.595 42.217 42.059 -0.730 0.000 1.197 1133 L HN 0.202 8.432 8.230 -0.000 0.000 0.427 1134 P HA 0.124 4.544 4.420 -0.000 0.000 0.276 1134 P C -1.361 175.980 177.300 0.068 0.000 1.243 1134 P CA -0.284 62.876 63.100 0.100 0.000 0.768 1134 P CB 1.070 32.842 31.700 0.119 0.000 0.856 1135 L N 6.244 127.518 121.223 0.085 0.000 2.318 1135 L HA 0.402 4.744 4.340 0.002 0.000 0.277 1135 L C -2.354 174.540 176.870 0.040 0.000 1.008 1135 L CA -2.395 52.483 54.840 0.063 0.000 0.846 1135 L CB 1.027 43.140 42.059 0.091 0.000 1.220 1135 L HN 0.150 8.380 8.230 -0.000 0.000 0.423 1136 P HA 0.073 4.493 4.420 -0.000 0.000 0.266 1136 P C 1.245 178.546 177.300 0.001 0.000 1.215 1136 P CA -0.013 63.097 63.100 0.016 0.000 0.763 1136 P CB 1.201 32.913 31.700 0.020 0.000 0.806 1137 V N 1.979 121.885 119.914 -0.012 0.000 2.244 1137 V HA 0.005 4.126 4.120 0.002 0.000 0.244 1137 V C 1.357 177.438 176.094 -0.022 0.000 1.042 1137 V CA 2.683 64.965 62.300 -0.029 0.000 1.006 1137 V CB -1.321 30.476 31.823 -0.044 0.000 0.641 1137 V HN 0.838 9.028 8.190 -0.000 0.000 0.446 1138 S N 0.000 115.690 115.700 -0.017 0.000 2.498 1138 S HA 0.000 4.471 4.470 0.002 0.000 0.327 1138 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 1138 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 1138 S HN 0.000 8.310 8.310 -0.000 0.000 0.517