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 2co2_1_A DATA FIRST_RESID 23 DATA SEQUENCE LTVSLIPVSG LKAGKNAPSA KIAKLVVNST TLKEFGVRGI SNNVVDSTGT DATA SEQUENCE AWRVAGKNTG KEIGVGLSSD SLRRSDSTEK WNGVNWMTFN SNDTLDIVLT DATA SEQUENCE GPAQNVTADT YPITLDVVGY Q 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 23 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 23 L C 0.000 176.849 176.870 -0.035 0.000 1.165 23 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 23 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 24 T N -0.345 114.182 114.554 -0.046 0.000 2.786 24 T HA 0.784 5.134 4.350 -0.000 0.000 0.283 24 T C -0.456 174.199 174.700 -0.076 0.000 0.992 24 T CA -0.835 61.236 62.100 -0.048 0.000 0.954 24 T CB 1.975 70.823 68.868 -0.033 0.000 0.934 24 T HN 0.220 8.460 8.240 -0.000 0.000 0.440 25 V N 2.732 122.604 119.914 -0.071 0.000 2.555 25 V HA 0.705 4.825 4.120 -0.000 0.000 0.302 25 V C -0.077 175.983 176.094 -0.056 0.000 1.038 25 V CA -0.747 61.498 62.300 -0.091 0.000 0.887 25 V CB 1.963 33.732 31.823 -0.090 0.000 0.991 25 V HN 1.092 9.282 8.190 -0.000 0.000 0.434 26 S N 4.349 120.015 115.700 -0.057 0.000 2.542 26 S HA 0.792 5.262 4.470 -0.000 0.000 0.293 26 S C -1.064 173.522 174.600 -0.023 0.000 1.089 26 S CA -0.541 57.641 58.200 -0.031 0.000 0.961 26 S CB 1.967 65.152 63.200 -0.025 0.000 1.062 26 S HN 0.542 8.852 8.310 -0.000 0.000 0.483 27 L N 3.059 124.279 121.223 -0.004 0.000 2.372 27 L HA 0.642 4.981 4.340 -0.000 0.000 0.273 27 L C -1.716 175.163 176.870 0.015 0.000 0.989 27 L CA -0.371 54.476 54.840 0.012 0.000 0.841 27 L CB 0.685 42.762 42.059 0.029 0.000 1.225 27 L HN 0.666 8.896 8.230 -0.000 0.000 0.414 28 I N 7.032 127.609 120.570 0.013 0.000 2.389 28 I HA 0.467 4.636 4.170 -0.000 0.000 0.288 28 I C -2.109 174.017 176.117 0.015 0.000 0.999 28 I CA -1.778 59.529 61.300 0.012 0.000 1.129 28 I CB 1.654 39.657 38.000 0.005 0.000 1.288 28 I HN 0.472 8.682 8.210 -0.000 0.000 0.444 29 P HA 0.137 4.557 4.420 -0.000 0.000 0.271 29 P C -0.419 176.888 177.300 0.011 0.000 1.218 29 P CA -0.310 62.802 63.100 0.019 0.000 0.780 29 P CB 0.674 32.389 31.700 0.025 0.000 0.901 30 V N 2.352 122.270 119.914 0.007 0.000 2.614 30 V HA 0.160 4.280 4.120 -0.000 0.000 0.291 30 V C 0.882 176.979 176.094 0.006 0.000 1.049 30 V CA 0.058 62.359 62.300 0.002 0.000 1.038 30 V CB 0.668 32.488 31.823 -0.006 0.000 0.980 30 V HN 0.716 8.906 8.190 -0.000 0.000 0.481 31 S N 2.813 118.516 115.700 0.005 0.000 2.652 31 S HA 0.629 5.099 4.470 -0.000 0.000 0.270 31 S C 1.068 175.670 174.600 0.004 0.000 1.243 31 S CA 0.055 58.259 58.200 0.006 0.000 0.999 31 S CB 1.331 64.535 63.200 0.006 0.000 0.973 31 S HN 2.088 10.398 8.310 -0.000 0.000 0.544 32 G N 0.014 108.818 108.800 0.006 0.000 2.153 32 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 32 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 32 G C -0.136 174.766 174.900 0.004 0.000 0.994 32 G CA 0.208 45.311 45.100 0.005 0.000 0.698 32 G HN 0.752 9.042 8.290 -0.000 0.000 0.521 33 L N 0.296 121.523 121.223 0.007 0.000 2.410 33 L HA 0.434 4.774 4.340 -0.000 0.000 0.273 33 L C 0.417 177.294 176.870 0.012 0.000 1.152 33 L CA -0.143 54.700 54.840 0.005 0.000 0.855 33 L CB 0.682 42.744 42.059 0.006 0.000 1.129 33 L HN -0.072 8.158 8.230 -0.000 0.000 0.463 34 K N 2.645 123.048 120.400 0.005 0.000 2.259 34 K HA 0.621 4.941 4.320 -0.000 0.000 0.252 34 K C -0.392 176.215 176.600 0.011 0.000 0.936 34 K CA -0.637 55.656 56.287 0.010 0.000 0.810 34 K CB 2.110 34.612 32.500 0.004 0.000 1.143 34 K HN 0.609 8.859 8.250 -0.000 0.000 0.427 35 A N 1.121 123.955 122.820 0.023 0.000 2.406 35 A HA 0.603 4.923 4.320 -0.000 0.000 0.243 35 A C 0.776 178.368 177.584 0.012 0.000 1.082 35 A CA 1.136 53.189 52.037 0.028 0.000 0.786 35 A CB -0.264 18.760 19.000 0.040 0.000 1.029 35 A HN 0.881 9.031 8.150 -0.000 0.000 0.495 36 G N 0.118 108.923 108.800 0.009 0.000 2.466 36 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.316 36 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.316 36 G C -0.180 174.713 174.900 -0.011 0.000 1.270 36 G CA -0.086 45.014 45.100 0.000 0.000 0.982 36 G HN 0.984 9.274 8.290 -0.000 0.000 0.506 37 K N 0.909 121.301 120.400 -0.012 0.000 2.402 37 K HA 0.179 4.499 4.320 -0.000 0.000 0.285 37 K C 0.432 177.018 176.600 -0.023 0.000 1.054 37 K CA 0.005 56.281 56.287 -0.019 0.000 1.001 37 K CB -0.203 32.287 32.500 -0.016 0.000 0.946 37 K HN 0.489 8.739 8.250 -0.000 0.000 0.473 38 N N 1.509 120.189 118.700 -0.033 0.000 2.485 38 N HA 0.267 5.007 4.740 -0.000 0.000 0.280 38 N C -0.744 174.744 175.510 -0.036 0.000 1.205 38 N CA -0.653 52.374 53.050 -0.037 0.000 0.959 38 N CB 1.502 39.957 38.487 -0.052 0.000 1.206 38 N HN 0.575 8.955 8.380 -0.000 0.000 0.545 39 A N 1.259 124.059 122.820 -0.034 0.000 2.386 39 A HA 0.328 4.648 4.320 -0.000 0.000 0.248 39 A C -2.205 175.355 177.584 -0.039 0.000 1.082 39 A CA -0.851 51.167 52.037 -0.032 0.000 0.789 39 A CB -0.420 18.564 19.000 -0.027 0.000 1.025 39 A HN 0.385 8.535 8.150 -0.000 0.000 0.490 40 P HA 0.169 4.589 4.420 -0.000 0.000 0.268 40 P C 0.294 177.570 177.300 -0.041 0.000 1.204 40 P CA 0.679 63.755 63.100 -0.040 0.000 0.768 40 P CB 0.759 32.440 31.700 -0.031 0.000 0.842 41 S N 0.184 115.853 115.700 -0.052 0.000 3.561 41 S HA -0.200 4.270 4.470 -0.000 0.000 0.318 41 S C 0.572 175.141 174.600 -0.051 0.000 1.181 41 S CA 0.598 58.767 58.200 -0.053 0.000 0.916 41 S CB -1.620 61.558 63.200 -0.038 0.000 0.966 41 S HN 0.854 9.164 8.310 -0.000 0.000 0.550 42 A N 1.141 123.927 122.820 -0.057 0.000 2.545 42 A HA 0.283 4.603 4.320 -0.000 0.000 0.253 42 A C 0.557 178.106 177.584 -0.059 0.000 1.074 42 A CA 0.523 52.528 52.037 -0.053 0.000 0.760 42 A CB 0.159 19.126 19.000 -0.055 0.000 1.005 42 A HN 0.503 8.653 8.150 -0.000 0.000 0.506 43 K N 1.543 121.916 120.400 -0.044 0.000 2.382 43 K HA 0.269 4.589 4.320 -0.000 0.000 0.275 43 K C 0.860 177.435 176.600 -0.043 0.000 1.009 43 K CA 0.531 56.793 56.287 -0.041 0.000 0.970 43 K CB 0.459 32.944 32.500 -0.026 0.000 0.934 43 K HN 0.758 9.008 8.250 -0.000 0.000 0.479 44 I N -2.045 118.497 120.570 -0.046 0.000 4.774 44 I HA 0.379 4.549 4.170 -0.000 0.000 0.330 44 I C 0.019 176.126 176.117 -0.018 0.000 1.287 44 I CA -0.389 60.887 61.300 -0.040 0.000 1.311 44 I CB 1.069 39.026 38.000 -0.071 0.000 1.315 44 I HN 0.398 8.608 8.210 -0.000 0.000 0.459 45 A N 1.309 124.121 122.820 -0.014 0.000 2.612 45 A HA 0.726 5.046 4.320 -0.000 0.000 0.293 45 A C -1.505 176.082 177.584 0.004 0.000 1.075 45 A CA -0.624 51.416 52.037 0.005 0.000 0.680 45 A CB 1.749 20.764 19.000 0.024 0.000 1.279 45 A HN 0.184 8.334 8.150 -0.000 0.000 0.411 46 K N 0.526 120.931 120.400 0.008 0.000 2.270 46 K HA 0.685 5.004 4.320 -0.000 0.000 0.255 46 K C -1.658 174.944 176.600 0.005 0.000 0.936 46 K CA -0.581 55.708 56.287 0.004 0.000 0.809 46 K CB 1.546 34.047 32.500 0.001 0.000 1.131 46 K HN 0.704 8.954 8.250 -0.000 0.000 0.427 47 L N 5.262 126.486 121.223 0.000 0.000 2.287 47 L HA 0.465 4.805 4.340 -0.000 0.000 0.287 47 L C -1.553 175.290 176.870 -0.046 0.000 1.022 47 L CA -0.464 54.367 54.840 -0.016 0.000 0.814 47 L CB 1.599 43.659 42.059 0.002 0.000 1.217 47 L HN 0.402 8.632 8.230 -0.000 0.000 0.420 48 V N 5.786 125.659 119.914 -0.068 0.000 2.398 48 V HA 0.589 4.709 4.120 -0.000 0.000 0.286 48 V C -0.392 175.599 176.094 -0.171 0.000 1.026 48 V CA -0.642 61.607 62.300 -0.085 0.000 0.868 48 V CB 1.566 33.360 31.823 -0.049 0.000 0.982 48 V HN 0.526 8.716 8.190 -0.000 0.000 0.443 49 V N 4.700 124.467 119.914 -0.244 0.000 2.483 49 V HA 0.489 4.609 4.120 -0.000 0.000 0.297 49 V C -0.452 175.537 176.094 -0.174 0.000 1.027 49 V CA -0.682 61.398 62.300 -0.367 0.000 0.855 49 V CB 1.711 32.920 31.823 -1.024 0.000 0.995 49 V HN 0.982 9.172 8.190 -0.000 0.000 0.424 50 N N 2.096 120.731 118.700 -0.107 0.000 2.269 50 N HA 0.768 5.508 4.740 -0.000 0.000 0.304 50 N C -1.099 174.401 175.510 -0.017 0.000 1.072 50 N CA -0.473 52.556 53.050 -0.034 0.000 0.802 50 N CB 2.166 40.639 38.487 -0.023 0.000 1.348 50 N HN 0.658 9.038 8.380 -0.000 0.000 0.484 51 S N -0.520 115.189 115.700 0.014 0.000 2.566 51 S HA 0.241 4.710 4.470 -0.000 0.000 0.273 51 S C 0.422 175.035 174.600 0.020 0.000 1.157 51 S CA -0.665 57.546 58.200 0.018 0.000 0.938 51 S CB 0.943 64.164 63.200 0.036 0.000 1.087 51 S HN 0.644 8.954 8.310 -0.000 0.000 0.474 52 T N 0.666 115.227 114.554 0.011 0.000 3.067 52 T HA 0.041 4.391 4.350 -0.000 0.000 0.261 52 T C 1.478 176.183 174.700 0.008 0.000 1.110 52 T CA 1.437 63.543 62.100 0.009 0.000 1.113 52 T CB -0.491 68.379 68.868 0.003 0.000 0.917 52 T HN 0.750 8.990 8.240 -0.000 0.000 0.499 53 T N -0.324 114.235 114.554 0.008 0.000 3.085 53 T HA 0.420 4.770 4.350 -0.000 0.000 0.241 53 T C 0.539 175.242 174.700 0.004 0.000 0.988 53 T CA -0.449 61.652 62.100 0.002 0.000 1.117 53 T CB -0.400 68.464 68.868 -0.006 0.000 0.978 53 T HN 0.302 8.542 8.240 -0.000 0.000 0.454 54 L N 1.844 123.077 121.223 0.017 0.000 2.312 54 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 54 L C 1.256 178.160 176.870 0.056 0.000 1.070 54 L CA -0.747 54.109 54.840 0.027 0.000 0.805 54 L CB 1.387 43.473 42.059 0.045 0.000 1.174 54 L HN 0.021 8.251 8.230 -0.000 0.000 0.434 55 K N 1.267 121.690 120.400 0.040 0.000 2.365 55 K HA 0.125 4.445 4.320 -0.000 0.000 0.197 55 K C -0.078 176.592 176.600 0.117 0.000 1.042 55 K CA 0.689 57.011 56.287 0.058 0.000 0.987 55 K CB 0.404 32.911 32.500 0.012 0.000 0.779 55 K HN 0.620 8.870 8.250 -0.000 0.000 0.484 56 E N -0.577 119.714 120.200 0.152 0.000 2.429 56 E HA 0.359 4.709 4.350 -0.000 0.000 0.276 56 E C -1.444 175.379 176.600 0.372 0.000 0.953 56 E CA -0.923 55.614 56.400 0.230 0.000 0.787 56 E CB 1.968 31.776 29.700 0.181 0.000 1.307 56 E HN -0.049 8.311 8.360 -0.000 0.000 0.458 57 F N -1.443 118.678 119.950 0.284 0.000 2.601 57 F HA 0.792 5.319 4.527 -0.000 0.000 0.309 57 F C -0.344 175.710 175.800 0.423 0.000 1.089 57 F CA -0.861 57.319 58.000 0.300 0.000 0.940 57 F CB 1.268 40.401 39.000 0.221 0.000 1.273 57 F HN 0.427 8.727 8.300 -0.000 0.000 0.450 58 G N 1.253 110.374 108.800 0.536 0.000 2.410 58 G HA2 0.599 4.559 3.960 -0.000 0.000 0.330 58 G HA3 0.599 4.559 3.960 -0.000 0.000 0.330 58 G C -1.893 173.516 174.900 0.848 0.000 1.142 58 G CA -1.097 44.383 45.100 0.634 0.000 0.902 58 G HN 1.079 9.369 8.290 -0.000 0.000 0.491 59 V N 1.872 122.252 119.914 0.778 0.000 2.733 59 V HA 0.781 4.901 4.120 -0.000 0.000 0.306 59 V C -0.835 175.396 176.094 0.228 0.000 1.084 59 V CA -0.968 61.681 62.300 0.582 0.000 0.905 59 V CB 1.924 34.056 31.823 0.516 0.000 1.010 59 V HN 0.849 9.039 8.190 -0.000 0.000 0.424 60 R N 3.628 124.107 120.500 -0.034 0.000 2.686 60 R HA 0.633 4.973 4.340 -0.000 0.000 0.283 60 R C -0.023 175.997 176.300 -0.467 0.000 0.978 60 R CA -0.396 55.472 56.100 -0.386 0.000 0.897 60 R CB 2.286 32.096 30.300 -0.817 0.000 1.192 60 R HN 0.923 9.193 8.270 -0.000 0.000 0.457 61 G N 2.414 110.701 108.800 -0.856 0.000 2.467 61 G HA2 0.342 4.302 3.960 -0.000 0.000 0.257 61 G HA3 0.342 4.302 3.960 -0.000 0.000 0.257 61 G C -0.222 173.995 174.900 -1.138 0.000 1.227 61 G CA -0.359 43.658 45.100 -1.804 0.000 0.835 61 G HN 0.291 8.581 8.290 -0.000 0.000 0.556 62 I N 1.835 121.845 120.570 -0.934 0.000 2.382 62 I HA 0.470 4.639 4.170 -0.000 0.000 0.285 62 I C 0.261 176.178 176.117 -0.334 0.000 1.007 62 I CA -0.353 60.673 61.300 -0.456 0.000 1.142 62 I CB 0.495 38.357 38.000 -0.230 0.000 1.289 62 I HN 0.652 8.862 8.210 -0.000 0.000 0.453 63 S N 5.005 120.582 115.700 -0.205 0.000 2.636 63 S HA 0.395 4.864 4.470 -0.000 0.000 0.268 63 S C 0.087 174.689 174.600 0.004 0.000 1.159 63 S CA -0.738 57.452 58.200 -0.017 0.000 0.815 63 S CB 1.534 64.837 63.200 0.173 0.000 1.130 63 S HN 0.438 8.748 8.310 -0.000 0.000 0.471 64 N N 1.050 119.776 118.700 0.043 0.000 2.494 64 N HA 0.076 4.816 4.740 -0.000 0.000 0.182 64 N C -0.149 175.386 175.510 0.043 0.000 1.076 64 N CA 0.562 53.631 53.050 0.033 0.000 0.908 64 N CB -0.582 37.928 38.487 0.037 0.000 0.967 64 N HN 0.726 9.106 8.380 -0.000 0.000 0.449 65 N N 0.379 119.124 118.700 0.075 0.000 2.690 65 N HA 0.170 4.910 4.740 -0.000 0.000 0.255 65 N C -1.585 174.001 175.510 0.126 0.000 1.195 65 N CA -0.146 52.952 53.050 0.081 0.000 0.790 65 N CB 0.958 39.491 38.487 0.077 0.000 1.216 65 N HN -0.293 8.087 8.380 -0.000 0.000 0.528 66 V N 3.115 123.081 119.914 0.087 0.000 2.406 66 V HA 0.096 4.216 4.120 -0.000 0.000 0.272 66 V C 1.346 177.487 176.094 0.079 0.000 1.043 66 V CA -0.333 62.032 62.300 0.108 0.000 0.915 66 V CB 1.264 33.092 31.823 0.007 0.000 0.988 66 V HN 0.539 8.729 8.190 -0.000 0.000 0.466 67 V N 0.464 120.440 119.914 0.103 0.000 3.578 67 V HA 0.334 4.454 4.120 -0.000 0.000 0.290 67 V C 0.230 176.347 176.094 0.038 0.000 1.376 67 V CA 0.336 62.670 62.300 0.057 0.000 1.083 67 V CB -0.022 31.828 31.823 0.045 0.000 0.911 67 V HN 0.867 9.057 8.190 -0.000 0.000 0.433 68 D N -0.751 119.675 120.400 0.043 0.000 2.559 68 D HA 0.313 4.953 4.640 -0.000 0.000 0.250 68 D C 0.989 177.285 176.300 -0.007 0.000 1.135 68 D CA 0.152 54.163 54.000 0.018 0.000 0.955 68 D CB 1.414 42.228 40.800 0.023 0.000 1.442 68 D HN 0.051 8.421 8.370 -0.000 0.000 0.471 69 S N -1.004 114.682 115.700 -0.023 0.000 2.515 69 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 69 S C 1.217 175.767 174.600 -0.083 0.000 0.987 69 S CA 1.240 59.411 58.200 -0.048 0.000 0.936 69 S CB -0.974 62.201 63.200 -0.043 0.000 0.766 69 S HN 0.663 8.973 8.310 -0.000 0.000 0.528 70 T N -3.059 111.449 114.554 -0.077 0.000 3.054 70 T HA 0.526 4.876 4.350 -0.000 0.000 0.255 70 T C 1.376 175.981 174.700 -0.158 0.000 1.035 70 T CA 0.204 62.232 62.100 -0.119 0.000 0.941 70 T CB -0.047 68.782 68.868 -0.064 0.000 1.026 70 T HN 1.021 9.261 8.240 -0.000 0.000 0.533 71 G N 2.211 110.941 108.800 -0.116 0.000 2.249 71 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 71 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 71 G C 0.664 175.575 174.900 0.018 0.000 1.036 71 G CA 0.745 45.767 45.100 -0.131 0.000 0.824 71 G HN 0.945 9.235 8.290 -0.000 0.000 0.504 72 T N -4.081 110.566 114.554 0.154 0.000 3.054 72 T HA 0.702 5.052 4.350 -0.000 0.000 0.255 72 T C 0.721 175.626 174.700 0.341 0.000 1.035 72 T CA 1.122 63.395 62.100 0.288 0.000 0.941 72 T CB 1.026 70.004 68.868 0.183 0.000 1.026 72 T HN 1.731 9.971 8.240 -0.000 0.000 0.533 73 A N 1.056 124.078 122.820 0.337 0.000 2.427 73 A HA 0.752 5.072 4.320 -0.000 0.000 0.298 73 A C -1.381 176.409 177.584 0.343 0.000 1.036 73 A CA -1.279 50.865 52.037 0.178 0.000 0.701 73 A CB 1.251 20.279 19.000 0.048 0.000 1.250 73 A HN 0.697 8.847 8.150 -0.000 0.000 0.412 74 W N 1.004 122.288 121.300 -0.028 0.000 3.005 74 W HA 0.772 5.432 4.660 0.000 0.000 0.343 74 W C -1.257 175.251 176.519 -0.018 0.000 1.243 74 W CA -0.883 56.447 57.345 -0.024 0.000 1.186 74 W CB 0.871 30.317 29.460 -0.025 0.000 1.453 74 W HN 0.643 8.823 8.180 -0.000 0.000 0.575 75 R N 1.663 122.264 120.500 0.167 0.000 2.589 75 R HA 0.679 5.019 4.340 -0.000 0.000 0.293 75 R C -0.761 175.624 176.300 0.142 0.000 0.963 75 R CA -1.092 55.038 56.100 0.050 0.000 0.905 75 R CB 2.187 32.517 30.300 0.050 0.000 1.144 75 R HN 0.583 8.853 8.270 -0.000 0.000 0.459 76 V N -0.676 119.282 119.914 0.073 0.000 2.680 76 V HA 0.879 4.999 4.120 -0.000 0.000 0.309 76 V C -0.436 175.781 176.094 0.204 0.000 1.052 76 V CA -0.855 61.544 62.300 0.165 0.000 0.908 76 V CB 1.752 33.682 31.823 0.179 0.000 1.001 76 V HN 0.862 9.052 8.190 -0.000 0.000 0.431 77 A N 3.473 126.413 122.820 0.201 0.000 2.312 77 A HA 0.874 5.194 4.320 -0.000 0.000 0.326 77 A C 0.615 178.275 177.584 0.127 0.000 1.172 77 A CA -0.084 52.058 52.037 0.175 0.000 0.821 77 A CB 0.864 19.919 19.000 0.092 0.000 1.166 77 A HN 1.965 10.115 8.150 -0.000 0.000 0.493 78 G N 0.651 109.441 108.800 -0.017 0.000 2.441 78 G HA2 0.326 4.286 3.960 -0.000 0.000 0.243 78 G HA3 0.326 4.286 3.960 -0.000 0.000 0.243 78 G C 0.560 175.315 174.900 -0.242 0.000 1.281 78 G CA -0.355 44.444 45.100 -0.502 0.000 0.854 78 G HN 0.851 9.141 8.290 -0.000 0.000 0.560 79 K N 1.097 121.350 120.400 -0.245 0.000 2.057 79 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 79 K C 1.953 178.492 176.600 -0.103 0.000 1.049 79 K CA 1.410 57.620 56.287 -0.128 0.000 0.931 79 K CB 0.071 32.508 32.500 -0.105 0.000 0.714 79 K HN 0.449 8.699 8.250 -0.000 0.000 0.440 80 N N -0.431 118.193 118.700 -0.127 0.000 2.402 80 N HA -0.062 4.678 4.740 -0.000 0.000 0.174 80 N C 1.728 177.196 175.510 -0.070 0.000 1.027 80 N CA 1.533 54.532 53.050 -0.085 0.000 0.891 80 N CB 0.352 38.791 38.487 -0.081 0.000 1.016 80 N HN 0.310 8.690 8.380 -0.000 0.000 0.439 81 T N -3.558 110.942 114.554 -0.090 0.000 3.015 81 T HA 0.289 4.639 4.350 -0.000 0.000 0.250 81 T C 1.497 176.179 174.700 -0.030 0.000 1.057 81 T CA 0.826 62.897 62.100 -0.050 0.000 1.066 81 T CB 0.465 69.311 68.868 -0.036 0.000 0.959 81 T HN 0.209 8.449 8.240 -0.000 0.000 0.488 82 G N 1.672 110.447 108.800 -0.043 0.000 2.184 82 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 82 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 82 G C 0.050 174.969 174.900 0.031 0.000 0.975 82 G CA 0.425 45.520 45.100 -0.007 0.000 0.642 82 G HN 0.704 8.994 8.290 -0.000 0.000 0.536 83 K N 0.958 121.388 120.400 0.050 0.000 2.326 83 K HA 0.380 4.700 4.320 -0.000 0.000 0.275 83 K C 0.443 177.155 176.600 0.188 0.000 1.018 83 K CA 0.013 56.362 56.287 0.102 0.000 0.962 83 K CB 0.452 33.020 32.500 0.113 0.000 0.953 83 K HN 0.410 8.660 8.250 -0.000 0.000 0.475 84 E N 3.072 123.349 120.200 0.128 0.000 2.231 84 E HA 0.277 4.627 4.350 -0.000 0.000 0.277 84 E C -0.306 176.313 176.600 0.032 0.000 0.999 84 E CA -0.557 55.907 56.400 0.107 0.000 0.827 84 E CB 1.208 30.942 29.700 0.058 0.000 1.101 84 E HN 0.431 8.791 8.360 -0.000 0.000 0.393 85 I N -1.959 118.577 120.570 -0.056 0.000 2.797 85 I HA 0.647 4.817 4.170 -0.000 0.000 0.307 85 I C 0.224 176.237 176.117 -0.173 0.000 1.033 85 I CA -1.202 59.986 61.300 -0.187 0.000 1.071 85 I CB 1.864 39.606 38.000 -0.429 0.000 1.255 85 I HN 0.431 8.641 8.210 -0.000 0.000 0.445 86 G N 3.703 112.393 108.800 -0.184 0.000 2.320 86 G HA2 0.541 4.500 3.960 -0.000 0.000 0.300 86 G HA3 0.541 4.500 3.960 -0.000 0.000 0.300 86 G C -0.342 174.372 174.900 -0.309 0.000 1.126 86 G CA -0.440 44.534 45.100 -0.211 0.000 0.896 86 G HN 0.822 9.112 8.290 -0.000 0.000 0.436 87 V N 0.930 120.552 119.914 -0.487 0.000 3.046 87 V HA 1.092 5.212 4.120 -0.000 0.000 0.316 87 V C 0.349 175.933 176.094 -0.849 0.000 1.104 87 V CA -0.219 61.690 62.300 -0.652 0.000 1.006 87 V CB 1.621 32.990 31.823 -0.756 0.000 1.058 87 V HN 1.569 9.759 8.190 -0.000 0.000 0.440 88 G N 0.602 108.983 108.800 -0.699 0.000 2.322 88 G HA2 0.398 4.358 3.960 -0.000 0.000 0.295 88 G HA3 0.398 4.358 3.960 -0.000 0.000 0.295 88 G C -1.517 173.276 174.900 -0.178 0.000 1.369 88 G CA -1.087 43.725 45.100 -0.479 0.000 0.821 88 G HN 0.954 9.244 8.290 -0.000 0.000 0.536 89 L N 1.648 122.876 121.223 0.010 0.000 2.453 89 L HA 0.342 4.681 4.340 -0.000 0.000 0.272 89 L C 1.665 178.535 176.870 0.000 0.000 1.182 89 L CA -0.262 54.595 54.840 0.029 0.000 0.858 89 L CB 1.072 43.181 42.059 0.083 0.000 1.120 89 L HN 0.815 9.045 8.230 -0.000 0.000 0.474 90 S N 1.650 117.345 115.700 -0.009 0.000 2.569 90 S HA 0.001 4.470 4.470 -0.000 0.000 0.274 90 S C 1.232 175.843 174.600 0.019 0.000 1.353 90 S CA -0.259 57.937 58.200 -0.007 0.000 1.023 90 S CB 1.223 64.418 63.200 -0.009 0.000 0.876 90 S HN 0.646 8.956 8.310 -0.000 0.000 0.540 91 S N 1.696 117.403 115.700 0.012 0.000 2.372 91 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 91 S C 1.434 176.058 174.600 0.040 0.000 1.044 91 S CA 1.816 60.030 58.200 0.023 0.000 1.050 91 S CB -0.737 62.469 63.200 0.010 0.000 0.901 91 S HN 0.839 9.149 8.310 -0.000 0.000 0.447 92 D N 1.014 121.434 120.400 0.034 0.000 2.117 92 D HA -0.019 4.621 4.640 -0.000 0.000 0.197 92 D C 2.229 178.572 176.300 0.073 0.000 0.987 92 D CA 1.003 55.030 54.000 0.044 0.000 0.829 92 D CB -0.561 40.258 40.800 0.031 0.000 0.961 92 D HN 0.287 8.657 8.370 -0.000 0.000 0.460 93 S N 0.675 116.416 115.700 0.069 0.000 2.359 93 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 93 S C 2.255 176.996 174.600 0.235 0.000 1.035 93 S CA 0.565 58.821 58.200 0.093 0.000 1.018 93 S CB -0.357 62.847 63.200 0.006 0.000 0.876 93 S HN 0.245 8.555 8.310 -0.000 0.000 0.448 94 L N 1.021 122.364 121.223 0.201 0.000 2.081 94 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 94 L C 2.594 179.566 176.870 0.169 0.000 1.080 94 L CA 1.318 56.302 54.840 0.240 0.000 0.754 94 L CB -0.479 41.661 42.059 0.135 0.000 0.893 94 L HN 0.242 8.472 8.230 -0.000 0.000 0.433 95 R N -0.160 120.409 120.500 0.116 0.000 2.237 95 R HA -0.085 4.255 4.340 -0.000 0.000 0.219 95 R C 1.976 178.319 176.300 0.072 0.000 1.080 95 R CA 0.641 56.782 56.100 0.068 0.000 0.995 95 R CB -0.124 30.205 30.300 0.049 0.000 0.875 95 R HN 0.371 8.641 8.270 -0.000 0.000 0.462 96 R N 0.098 120.688 120.500 0.149 0.000 2.310 96 R HA 0.087 4.426 4.340 -0.000 0.000 0.202 96 R C 0.647 176.997 176.300 0.083 0.000 0.933 96 R CA -0.086 56.107 56.100 0.156 0.000 1.054 96 R CB 0.401 30.839 30.300 0.230 0.000 0.985 96 R HN -0.069 8.201 8.270 -0.000 0.000 0.489 97 S N 0.855 116.501 115.700 -0.089 0.000 2.552 97 S HA -0.070 4.400 4.470 -0.000 0.000 0.289 97 S C 0.600 174.992 174.600 -0.348 0.000 1.304 97 S CA -0.345 57.469 58.200 -0.644 0.000 1.063 97 S CB 0.510 63.305 63.200 -0.675 0.000 0.848 97 S HN 0.157 8.467 8.310 -0.000 0.000 0.499 98 D N 1.659 121.841 120.400 -0.364 0.000 2.162 98 D HA 0.109 4.749 4.640 -0.000 0.000 0.205 98 D C 0.757 176.963 176.300 -0.157 0.000 0.964 98 D CA 1.117 55.010 54.000 -0.178 0.000 0.847 98 D CB 0.137 40.871 40.800 -0.110 0.000 0.988 98 D HN 0.649 9.019 8.370 -0.000 0.000 0.480 99 S N -1.710 113.861 115.700 -0.216 0.000 2.636 99 S HA 0.436 4.906 4.470 -0.000 0.000 0.268 99 S C -1.080 173.382 174.600 -0.230 0.000 1.159 99 S CA -0.857 57.243 58.200 -0.167 0.000 0.815 99 S CB 1.972 65.125 63.200 -0.079 0.000 1.130 99 S HN -0.143 8.167 8.310 -0.000 0.000 0.471 100 T N 2.170 116.606 114.554 -0.198 0.000 2.770 100 T HA 0.629 4.979 4.350 -0.000 0.000 0.283 100 T C -0.936 173.594 174.700 -0.283 0.000 0.988 100 T CA -0.588 61.375 62.100 -0.229 0.000 0.957 100 T CB 1.201 69.966 68.868 -0.172 0.000 0.930 100 T HN 0.539 8.779 8.240 -0.000 0.000 0.443 101 E N 2.041 121.955 120.200 -0.476 0.000 2.239 101 E HA 0.463 4.813 4.350 -0.000 0.000 0.261 101 E C -0.366 175.830 176.600 -0.673 0.000 1.016 101 E CA -0.834 55.150 56.400 -0.693 0.000 0.882 101 E CB 1.664 30.597 29.700 -1.278 0.000 1.190 101 E HN 0.388 8.748 8.360 -0.000 0.000 0.415 102 K N 1.327 121.380 120.400 -0.578 0.000 2.483 102 K HA 0.269 4.589 4.320 -0.000 0.000 0.256 102 K C -1.178 175.311 176.600 -0.186 0.000 0.961 102 K CA -0.572 55.533 56.287 -0.302 0.000 0.873 102 K CB 0.932 33.362 32.500 -0.117 0.000 1.107 102 K HN 0.281 8.531 8.250 -0.000 0.000 0.432 103 W N 3.387 124.729 121.300 0.070 0.000 2.296 103 W HA 0.245 4.905 4.660 -0.000 0.000 0.316 103 W C 0.083 176.640 176.519 0.062 0.000 1.022 103 W CA -1.137 56.202 57.345 -0.009 0.000 1.324 103 W CB 0.439 29.781 29.460 -0.197 0.000 1.227 103 W HN 0.666 8.846 8.180 -0.000 0.000 0.409 104 N N 1.366 120.206 118.700 0.233 0.000 2.714 104 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 104 N C 1.096 176.681 175.510 0.125 0.000 1.117 104 N CA 2.059 55.199 53.050 0.150 0.000 0.719 104 N CB -1.261 37.310 38.487 0.140 0.000 1.081 104 N HN 0.887 9.267 8.380 -0.000 0.000 0.557 105 G N -2.863 106.004 108.800 0.111 0.000 2.213 105 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.236 105 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.236 105 G C -0.031 174.904 174.900 0.060 0.000 0.991 105 G CA 0.197 45.337 45.100 0.066 0.000 0.629 105 G HN 0.460 8.750 8.290 -0.000 0.000 0.517 106 V N 2.253 122.242 119.914 0.124 0.000 2.465 106 V HA 0.433 4.553 4.120 -0.000 0.000 0.279 106 V C 0.123 176.260 176.094 0.071 0.000 1.045 106 V CA -1.152 61.205 62.300 0.095 0.000 0.938 106 V CB 1.543 33.479 31.823 0.189 0.000 0.986 106 V HN 0.327 8.517 8.190 -0.000 0.000 0.467 107 N N 3.675 122.318 118.700 -0.095 0.000 2.470 107 N HA 0.211 4.951 4.740 -0.000 0.000 0.268 107 N C -1.130 174.214 175.510 -0.277 0.000 1.136 107 N CA 0.036 52.993 53.050 -0.156 0.000 0.961 107 N CB 0.727 39.123 38.487 -0.152 0.000 1.067 107 N HN 0.656 9.036 8.380 -0.000 0.000 0.468 108 W N 2.726 123.809 121.300 -0.362 0.000 2.463 108 W HA 0.396 5.056 4.660 -0.000 0.000 0.316 108 W C 0.036 176.342 176.519 -0.355 0.000 1.004 108 W CA -0.564 56.585 57.345 -0.326 0.000 1.309 108 W CB 0.680 29.837 29.460 -0.505 0.000 1.288 108 W HN 0.164 8.344 8.180 -0.000 0.000 0.423 109 M N 3.414 123.006 119.600 -0.014 0.000 2.238 109 M HA 0.194 4.674 4.480 -0.000 0.000 0.350 109 M C 0.821 177.031 176.300 -0.149 0.000 1.321 109 M CA 0.647 55.872 55.300 -0.125 0.000 1.097 109 M CB 0.431 32.993 32.600 -0.063 0.000 1.713 109 M HN 0.436 8.726 8.290 -0.000 0.000 0.455 110 T N 0.445 114.740 114.554 -0.433 0.000 2.888 110 T HA 0.795 5.144 4.350 -0.000 0.000 0.284 110 T C -0.769 173.456 174.700 -0.792 0.000 1.017 110 T CA -0.697 61.198 62.100 -0.341 0.000 1.022 110 T CB 1.160 69.993 68.868 -0.059 0.000 1.013 110 T HN 0.394 8.634 8.240 -0.000 0.000 0.465 111 F N 0.062 119.727 119.950 -0.474 0.000 2.629 111 F HA 0.493 5.020 4.527 -0.001 0.000 0.316 111 F C 0.264 175.903 175.800 -0.269 0.000 1.081 111 F CA -1.487 56.262 58.000 -0.417 0.000 0.954 111 F CB 1.266 39.938 39.000 -0.547 0.000 1.337 111 F HN 0.430 8.730 8.300 -0.000 0.000 0.474 112 N N 0.853 119.637 118.700 0.140 0.000 2.454 112 N HA 0.077 4.817 4.740 -0.000 0.000 0.260 112 N C -0.155 175.579 175.510 0.373 0.000 1.218 112 N CA 0.122 53.286 53.050 0.190 0.000 0.904 112 N CB 0.719 39.300 38.487 0.157 0.000 1.065 112 N HN 0.494 8.874 8.380 -0.000 0.000 0.462 113 S N 1.964 117.895 115.700 0.385 0.000 2.587 113 S HA 0.058 4.528 4.470 -0.000 0.000 0.260 113 S C 0.189 174.929 174.600 0.234 0.000 1.353 113 S CA -0.351 58.090 58.200 0.400 0.000 0.995 113 S CB 0.111 63.472 63.200 0.268 0.000 0.912 113 S HN 0.655 8.965 8.310 -0.000 0.000 0.568 114 N N 1.813 120.602 118.700 0.148 0.000 2.699 114 N HA -0.150 4.590 4.740 -0.000 0.000 0.257 114 N C -1.293 174.286 175.510 0.116 0.000 1.077 114 N CA 0.855 53.961 53.050 0.094 0.000 0.702 114 N CB -1.083 37.449 38.487 0.075 0.000 0.886 114 N HN 0.625 9.005 8.380 -0.000 0.000 0.549 115 D N -1.066 119.410 120.400 0.127 0.000 2.663 115 D HA 0.419 5.058 4.640 -0.000 0.000 0.233 115 D C -0.789 175.575 176.300 0.107 0.000 1.240 115 D CA -0.136 53.957 54.000 0.155 0.000 0.774 115 D CB 1.255 42.228 40.800 0.287 0.000 1.443 115 D HN 0.174 8.544 8.370 -0.000 0.000 0.441 116 T N -0.314 114.289 114.554 0.081 0.000 2.888 116 T HA 0.833 5.183 4.350 -0.000 0.000 0.284 116 T C -0.292 174.432 174.700 0.040 0.000 1.017 116 T CA -0.746 61.380 62.100 0.043 0.000 1.022 116 T CB 0.878 69.760 68.868 0.023 0.000 1.013 116 T HN 0.270 8.510 8.240 -0.000 0.000 0.465 117 L N 1.421 122.649 121.223 0.009 0.000 2.354 117 L HA 0.575 4.915 4.340 -0.000 0.000 0.264 117 L C -0.652 176.208 176.870 -0.016 0.000 1.008 117 L CA -1.246 53.576 54.840 -0.031 0.000 0.819 117 L CB 2.118 44.107 42.059 -0.116 0.000 1.339 117 L HN 0.669 8.899 8.230 -0.000 0.000 0.420 118 D N 2.463 122.853 120.400 -0.017 0.000 2.168 118 D HA 0.431 5.070 4.640 -0.000 0.000 0.246 118 D C -0.467 175.823 176.300 -0.017 0.000 1.050 118 D CA -0.262 53.730 54.000 -0.012 0.000 0.857 118 D CB 2.485 43.278 40.800 -0.011 0.000 1.169 118 D HN 0.084 8.454 8.370 -0.000 0.000 0.453 119 I N 2.325 122.885 120.570 -0.018 0.000 2.359 119 I HA 0.293 4.463 4.170 -0.000 0.000 0.294 119 I C 0.592 176.662 176.117 -0.079 0.000 0.987 119 I CA -0.870 60.404 61.300 -0.043 0.000 1.225 119 I CB 1.047 39.039 38.000 -0.013 0.000 1.366 119 I HN 0.118 8.328 8.210 -0.000 0.000 0.466 120 V N 4.510 124.350 119.914 -0.122 0.000 3.141 120 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 120 V C -0.394 175.593 176.094 -0.179 0.000 1.157 120 V CA -1.185 61.041 62.300 -0.123 0.000 1.041 120 V CB 2.208 33.978 31.823 -0.088 0.000 1.071 120 V HN 0.477 8.667 8.190 -0.000 0.000 0.441 121 L N 3.024 124.153 121.223 -0.157 0.000 2.418 121 L HA 0.416 4.756 4.340 -0.000 0.000 0.274 121 L C 1.015 177.798 176.870 -0.145 0.000 1.135 121 L CA 0.146 54.881 54.840 -0.174 0.000 0.870 121 L CB 0.955 42.924 42.059 -0.151 0.000 1.154 121 L HN 1.016 9.246 8.230 -0.000 0.000 0.462 122 T N 0.376 114.832 114.554 -0.163 0.000 2.849 122 T HA 0.630 4.980 4.350 -0.000 0.000 0.284 122 T C 0.745 175.390 174.700 -0.093 0.000 1.004 122 T CA 0.002 62.026 62.100 -0.125 0.000 1.021 122 T CB 1.676 70.462 68.868 -0.138 0.000 1.013 122 T HN 0.972 9.212 8.240 -0.000 0.000 0.527 123 G N 2.041 110.800 108.800 -0.068 0.000 2.601 123 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.261 123 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.261 123 G C -2.615 172.256 174.900 -0.049 0.000 1.289 123 G CA -0.500 44.569 45.100 -0.052 0.000 0.920 123 G HN 0.920 9.210 8.290 -0.000 0.000 0.571 124 P HA 0.492 4.912 4.420 -0.000 0.000 0.272 124 P C 0.432 177.706 177.300 -0.042 0.000 1.240 124 P CA 0.484 63.562 63.100 -0.036 0.000 0.791 124 P CB 0.188 31.870 31.700 -0.029 0.000 0.978 125 A N 1.867 124.664 122.820 -0.037 0.000 2.608 125 A HA -0.097 4.223 4.320 -0.000 0.000 0.239 125 A C 0.120 177.677 177.584 -0.045 0.000 1.018 125 A CA 0.679 52.692 52.037 -0.040 0.000 0.766 125 A CB -0.806 18.175 19.000 -0.031 0.000 0.928 125 A HN 0.513 8.663 8.150 -0.000 0.000 0.512 126 Q N 1.361 121.127 119.800 -0.056 0.000 2.312 126 Q HA 0.265 4.605 4.340 -0.000 0.000 0.263 126 Q C -0.441 175.528 176.000 -0.051 0.000 0.995 126 Q CA -0.876 54.891 55.803 -0.061 0.000 0.853 126 Q CB 1.567 30.251 28.738 -0.090 0.000 1.300 126 Q HN 0.772 9.042 8.270 -0.000 0.000 0.448 127 N N 2.229 120.907 118.700 -0.038 0.000 2.437 127 N HA 0.174 4.913 4.740 -0.000 0.000 0.243 127 N C -1.455 174.042 175.510 -0.022 0.000 1.041 127 N CA -0.022 53.013 53.050 -0.024 0.000 0.940 127 N CB 0.896 39.375 38.487 -0.013 0.000 1.133 127 N HN 0.272 8.652 8.380 -0.000 0.000 0.506 128 V N 3.153 123.054 119.914 -0.022 0.000 2.394 128 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 128 V C 0.601 176.726 176.094 0.052 0.000 1.031 128 V CA -0.693 61.598 62.300 -0.014 0.000 0.881 128 V CB 1.425 33.205 31.823 -0.072 0.000 0.982 128 V HN 0.522 8.712 8.190 -0.000 0.000 0.451 129 T N 4.145 118.767 114.554 0.112 0.000 2.907 129 T HA 0.444 4.794 4.350 -0.000 0.000 0.298 129 T C 0.536 175.335 174.700 0.166 0.000 1.017 129 T CA -0.069 62.102 62.100 0.118 0.000 1.118 129 T CB 1.151 70.081 68.868 0.104 0.000 0.948 129 T HN 0.957 9.197 8.240 -0.000 0.000 0.531 130 A N 3.152 126.028 122.820 0.093 0.000 2.522 130 A HA 0.475 4.795 4.320 -0.000 0.000 0.256 130 A C 0.353 177.958 177.584 0.035 0.000 1.086 130 A CA 0.011 52.096 52.037 0.080 0.000 0.763 130 A CB -0.135 18.889 19.000 0.040 0.000 1.024 130 A HN 0.855 9.005 8.150 -0.000 0.000 0.502 131 D N -0.038 120.375 120.400 0.022 0.000 2.808 131 D HA 0.305 4.945 4.640 -0.000 0.000 0.294 131 D C -1.066 175.118 176.300 -0.194 0.000 1.278 131 D CA -0.220 53.669 54.000 -0.186 0.000 0.756 131 D CB 1.032 41.538 40.800 -0.490 0.000 1.271 131 D HN 0.353 8.723 8.370 -0.000 0.000 0.425 132 T N 1.458 115.847 114.554 -0.274 0.000 2.799 132 T HA 0.554 4.903 4.350 -0.000 0.000 0.286 132 T C -0.807 173.700 174.700 -0.322 0.000 0.973 132 T CA -0.098 61.906 62.100 -0.160 0.000 1.035 132 T CB 0.285 69.105 68.868 -0.081 0.000 0.932 132 T HN 0.139 8.379 8.240 -0.000 0.000 0.469 133 Y N 3.508 123.815 120.300 0.012 0.000 2.332 133 Y HA 0.356 4.906 4.550 0.000 0.000 0.326 133 Y C -1.976 173.943 175.900 0.032 0.000 0.978 133 Y CA -2.415 55.696 58.100 0.018 0.000 1.205 133 Y CB 1.361 39.824 38.460 0.005 0.000 1.131 133 Y HN 0.471 8.751 8.280 -0.000 0.000 0.462 134 P HA 0.285 4.705 4.420 -0.000 0.000 0.276 134 P C -0.597 176.808 177.300 0.175 0.000 1.230 134 P CA 0.159 63.338 63.100 0.131 0.000 0.776 134 P CB 1.495 33.251 31.700 0.093 0.000 0.888 135 I N 2.566 123.236 120.570 0.166 0.000 2.447 135 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 135 I C -0.178 176.055 176.117 0.193 0.000 1.023 135 I CA -0.361 61.079 61.300 0.233 0.000 1.083 135 I CB 2.272 40.397 38.000 0.208 0.000 1.245 135 I HN 0.246 8.456 8.210 -0.000 0.000 0.434 136 T N 7.010 121.684 114.554 0.199 0.000 2.861 136 T HA 0.698 5.047 4.350 -0.000 0.000 0.287 136 T C -0.399 174.275 174.700 -0.044 0.000 1.003 136 T CA -0.580 61.561 62.100 0.069 0.000 0.977 136 T CB 2.137 71.020 68.868 0.025 0.000 0.996 136 T HN 0.294 8.534 8.240 -0.000 0.000 0.448 137 L N 2.025 123.225 121.223 -0.038 0.000 2.388 137 L HA 0.581 4.921 4.340 -0.000 0.000 0.264 137 L C -1.038 175.822 176.870 -0.017 0.000 0.998 137 L CA -1.187 53.599 54.840 -0.090 0.000 0.817 137 L CB 2.303 44.377 42.059 0.025 0.000 1.338 137 L HN 0.503 8.733 8.230 -0.000 0.000 0.414 138 D N 1.634 122.040 120.400 0.011 0.000 2.233 138 D HA 0.480 5.120 4.640 -0.000 0.000 0.240 138 D C -0.628 175.869 176.300 0.328 0.000 1.074 138 D CA -0.063 54.043 54.000 0.177 0.000 0.838 138 D CB 2.422 43.403 40.800 0.302 0.000 1.124 138 D HN -0.012 8.358 8.370 -0.000 0.000 0.475 139 V N 2.564 122.637 119.914 0.266 0.000 2.555 139 V HA 0.560 4.680 4.120 -0.000 0.000 0.302 139 V C -0.168 176.051 176.094 0.209 0.000 1.038 139 V CA -0.791 61.693 62.300 0.307 0.000 0.887 139 V CB 2.168 34.076 31.823 0.141 0.000 0.991 139 V HN 0.284 8.474 8.190 -0.000 0.000 0.434 140 V N 3.315 123.358 119.914 0.215 0.000 2.876 140 V HA 0.880 5.000 4.120 -0.000 0.000 0.312 140 V C 0.386 176.533 176.094 0.089 0.000 1.085 140 V CA -0.087 62.204 62.300 -0.014 0.000 0.945 140 V CB 2.308 33.895 31.823 -0.392 0.000 1.017 140 V HN 0.986 9.176 8.190 -0.000 0.000 0.428 141 G N 3.337 112.143 108.800 0.010 0.000 2.444 141 G HA2 0.505 4.465 3.960 -0.000 0.000 0.268 141 G HA3 0.505 4.465 3.960 -0.000 0.000 0.268 141 G C -1.644 173.301 174.900 0.076 0.000 1.203 141 G CA -0.036 45.116 45.100 0.086 0.000 0.835 141 G HN 0.804 9.094 8.290 -0.000 0.000 0.543 142 Y N 0.367 120.676 120.300 0.014 0.000 2.504 142 Y HA 0.600 5.150 4.550 -0.000 0.000 0.344 142 Y C -0.320 175.603 175.900 0.040 0.000 1.023 142 Y CA -1.153 56.950 58.100 0.006 0.000 1.020 142 Y CB 2.418 40.996 38.460 0.196 0.000 1.282 142 Y HN 0.658 8.938 8.280 -0.000 0.000 0.454 143 Q N 0.000 119.469 119.800 -0.552 0.000 2.315 143 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 143 Q CA 0.000 55.526 55.803 -0.461 0.000 1.022 143 Q CB 0.000 28.610 28.738 -0.213 0.000 1.108 143 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481