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 1sp0_1_A DATA FIRST_RESID 21 DATA SEQUENCE VEQASDLILD EKIKVTFDAN VAAGLPWEFV PVQRDIDVRI GETVQIMYRA DATA SEQUENCE KNLASTPTTG QATFNVTPMA AGAYFNKVQC FCFTETTLEP GEEMEMPVVF DATA SEQUENCE FVDPEIVKPV ETQGIKTLTL SYTFYPREPS K 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 21 V HA 0.000 4.188 4.120 0.114 0.000 0.244 21 V C 0.000 176.157 176.094 0.105 0.000 1.182 21 V CA 0.000 62.358 62.300 0.096 0.000 1.235 21 V CB 0.000 31.852 31.823 0.048 0.000 1.184 22 E N 2.181 122.506 120.200 0.207 0.000 2.294 22 E HA -0.405 4.227 4.350 0.470 0.000 0.228 22 E C -2.076 174.584 176.600 0.100 0.000 1.253 22 E CA 1.301 57.846 56.400 0.243 0.000 0.716 22 E CB -0.182 29.612 29.700 0.157 0.000 1.184 22 E HN 0.142 8.669 8.360 0.277 0.000 0.374 23 Q N -3.907 115.856 119.800 -0.061 0.000 2.939 23 Q HA 0.096 4.231 4.340 -0.342 0.000 0.274 23 Q C -2.347 173.438 176.000 -0.359 0.000 0.941 23 Q CA 0.313 55.972 55.803 -0.240 0.000 0.824 23 Q CB 1.734 30.408 28.738 -0.106 0.000 1.779 23 Q HN -0.534 7.711 8.270 -0.011 0.019 0.470 24 A N 0.631 123.213 122.820 -0.397 0.000 2.474 24 A HA 0.346 4.524 4.320 -0.236 0.000 0.249 24 A C 0.092 177.543 177.584 -0.222 0.000 0.891 24 A CA 0.866 52.684 52.037 -0.366 0.000 1.135 24 A CB 0.888 19.468 19.000 -0.699 0.000 1.191 24 A HN 0.560 8.502 8.150 -0.346 0.000 0.471 25 S N -0.144 115.458 115.700 -0.162 0.000 2.607 25 S HA -0.237 4.159 4.470 -0.123 0.000 0.224 25 S C 0.491 175.043 174.600 -0.079 0.000 0.969 25 S CA 2.933 61.065 58.200 -0.114 0.000 0.927 25 S CB -0.178 62.967 63.200 -0.091 0.000 0.772 25 S HN -0.360 8.062 8.310 -0.160 -0.208 0.533 26 D N 0.448 120.804 120.400 -0.073 0.000 2.162 26 D HA -0.100 4.515 4.640 -0.042 0.000 0.203 26 D C 0.563 176.833 176.300 -0.050 0.000 0.967 26 D CA 1.645 55.615 54.000 -0.050 0.000 0.840 26 D CB 0.241 41.019 40.800 -0.038 0.000 0.972 26 D HN -0.147 8.082 8.370 -0.088 0.088 0.482 27 L N -2.520 118.664 121.223 -0.066 0.000 2.664 27 L HA 0.124 4.440 4.340 -0.040 0.000 0.233 27 L C 0.407 177.234 176.870 -0.072 0.000 1.113 27 L CA -0.223 54.583 54.840 -0.057 0.000 0.896 27 L CB 1.411 43.444 42.059 -0.043 0.000 1.163 27 L HN -0.298 7.760 8.230 -0.088 0.120 0.497 28 I N 1.603 122.115 120.570 -0.097 0.000 2.624 28 I HA -0.269 4.001 4.170 -0.090 -0.154 0.307 28 I C -0.200 175.882 176.117 -0.059 0.000 1.191 28 I CA 0.843 62.088 61.300 -0.091 0.000 1.708 28 I CB -2.210 35.723 38.000 -0.111 0.000 1.521 28 I HN -0.317 7.742 8.210 -0.112 0.083 0.805 29 L N 5.820 127.015 121.223 -0.047 0.000 2.488 29 L HA 0.109 4.428 4.340 -0.034 0.000 0.249 29 L C -0.017 176.834 176.870 -0.031 0.000 1.151 29 L CA -1.360 53.459 54.840 -0.035 0.000 0.806 29 L CB -0.300 41.740 42.059 -0.031 0.000 1.261 29 L HN -0.157 8.002 8.230 -0.047 0.043 0.484 30 D N -1.228 119.157 120.400 -0.025 0.000 2.317 30 D HA -0.169 4.457 4.640 -0.023 0.000 0.211 30 D C 0.122 176.411 176.300 -0.018 0.000 0.966 30 D CA 0.966 54.953 54.000 -0.021 0.000 0.876 30 D CB 0.340 41.129 40.800 -0.018 0.000 0.927 30 D HN 0.039 8.394 8.370 -0.024 0.000 0.519 31 E N -0.162 120.028 120.200 -0.017 0.000 2.562 31 E HA -0.241 4.102 4.350 -0.012 0.000 0.241 31 E C -1.025 175.570 176.600 -0.008 0.000 1.136 31 E CA 0.623 57.015 56.400 -0.013 0.000 0.952 31 E CB -0.894 28.798 29.700 -0.014 0.000 0.975 31 E HN -0.117 8.199 8.360 -0.020 0.033 0.494 32 K N 6.729 127.125 120.400 -0.006 0.000 2.110 32 K HA -0.100 4.358 4.320 0.002 -0.136 0.260 32 K C -1.067 175.533 176.600 0.001 0.000 1.126 32 K CA 0.047 56.333 56.287 -0.001 0.000 1.005 32 K CB -0.448 32.051 32.500 -0.002 0.000 1.336 32 K HN 0.130 8.376 8.250 -0.008 0.000 0.369 33 I N 6.300 126.874 120.570 0.007 0.000 2.315 33 I HA 0.077 4.246 4.170 -0.002 0.000 0.291 33 I C -1.543 174.577 176.117 0.004 0.000 1.006 33 I CA -2.548 58.755 61.300 0.006 0.000 1.265 33 I CB 2.021 40.028 38.000 0.012 0.000 1.387 33 I HN 0.806 9.024 8.210 0.013 0.000 0.475 34 K N 8.638 129.027 120.400 -0.019 0.000 2.237 34 K HA 0.173 4.614 4.320 -0.043 -0.147 0.270 34 K C -1.381 175.162 176.600 -0.096 0.000 1.015 34 K CA -0.516 55.742 56.287 -0.049 0.000 0.949 34 K CB 0.913 33.384 32.500 -0.048 0.000 0.976 34 K HN 0.379 8.618 8.250 -0.018 0.000 0.472 35 V N 3.365 123.158 119.914 -0.201 0.000 2.925 35 V HA 0.602 4.705 4.120 -0.269 -0.144 0.311 35 V C -1.390 174.376 176.094 -0.547 0.000 1.104 35 V CA -1.651 60.414 62.300 -0.391 0.000 0.954 35 V CB 4.706 36.191 31.823 -0.563 0.000 1.022 35 V HN 0.832 8.798 8.190 -0.200 0.104 0.427 36 T N 7.506 121.764 114.554 -0.493 0.000 3.009 36 T HA 0.409 4.715 4.350 -0.301 -0.136 0.346 36 T C -1.429 173.143 174.700 -0.215 0.000 1.092 36 T CA -0.601 61.316 62.100 -0.306 0.000 1.080 36 T CB 0.433 69.218 68.868 -0.137 0.000 1.037 36 T HN 0.937 8.940 8.240 -0.395 0.000 0.487 37 F N 6.449 126.403 119.950 0.008 0.000 2.494 37 F HA -0.030 4.542 4.527 0.075 0.000 0.351 37 F C -0.403 175.422 175.800 0.041 0.000 1.205 37 F CA -1.436 56.598 58.000 0.056 0.000 1.125 37 F CB -0.986 38.082 39.000 0.113 0.000 1.268 37 F HN 0.806 8.881 8.300 -0.227 0.090 0.593 38 D N 6.019 126.527 120.400 0.180 0.000 2.517 38 D HA 0.047 4.734 4.640 0.079 0.000 0.220 38 D C -1.388 174.980 176.300 0.113 0.000 1.158 38 D CA -1.406 52.654 54.000 0.099 0.000 0.992 38 D CB 0.160 40.989 40.800 0.048 0.000 1.058 38 D HN 0.164 8.635 8.370 0.168 0.000 0.516 39 A N 5.748 128.610 122.820 0.070 0.000 2.409 39 A HA 0.027 4.447 4.320 0.166 0.000 0.267 39 A C -1.278 176.317 177.584 0.018 0.000 1.127 39 A CA 0.018 52.040 52.037 -0.025 0.000 0.795 39 A CB 0.624 19.352 19.000 -0.453 0.000 1.061 39 A HN -0.260 7.893 8.150 0.072 0.040 0.502 40 N N 2.093 120.896 118.700 0.172 0.000 2.262 40 N HA 0.360 5.155 4.740 0.092 0.000 0.295 40 N C -2.606 173.070 175.510 0.277 0.000 1.161 40 N CA -0.592 52.548 53.050 0.150 0.000 0.767 40 N CB 4.473 43.007 38.487 0.078 0.000 1.499 40 N HN 0.566 9.056 8.380 0.343 0.096 0.476 41 V N -0.294 119.754 119.914 0.222 0.000 3.012 41 V HA 0.640 5.131 4.120 0.348 -0.162 0.307 41 V C -2.196 174.011 176.094 0.189 0.000 1.166 41 V CA -1.893 60.575 62.300 0.280 0.000 0.974 41 V CB 3.495 35.520 31.823 0.337 0.000 1.040 41 V HN 0.172 8.452 8.190 0.150 0.000 0.428 42 A N 6.605 129.540 122.820 0.191 0.000 2.567 42 A HA 0.430 4.827 4.320 0.127 0.000 0.289 42 A C -1.333 176.319 177.584 0.114 0.000 1.177 42 A CA -0.547 51.580 52.037 0.151 0.000 0.694 42 A CB 2.324 21.433 19.000 0.182 0.000 1.292 42 A HN 0.754 9.036 8.150 0.221 0.000 0.425 43 A N -1.095 121.772 122.820 0.079 0.000 1.923 43 A HA -0.302 4.044 4.320 0.044 0.000 0.222 43 A C 1.659 179.237 177.584 -0.010 0.000 1.258 43 A CA 3.150 55.210 52.037 0.037 0.000 0.670 43 A CB -0.237 18.778 19.000 0.025 0.000 0.834 43 A HN 0.281 8.481 8.150 0.083 0.000 0.470 44 G N -3.870 104.917 108.800 -0.020 0.000 2.517 44 G HA2 -0.228 3.737 3.960 -0.116 0.000 0.222 44 G HA3 -0.228 3.779 3.960 -0.085 -0.098 0.222 44 G C -0.601 174.173 174.900 -0.211 0.000 1.109 44 G CA 0.761 45.802 45.100 -0.098 0.000 0.746 44 G HN -0.036 8.260 8.290 0.022 0.007 0.576 45 L N -0.497 120.607 121.223 -0.197 0.000 2.401 45 L HA 0.470 4.374 4.340 -0.726 0.000 0.263 45 L C -1.863 174.903 176.870 -0.173 0.000 1.004 45 L CA -3.068 51.508 54.840 -0.439 0.000 0.881 45 L CB 2.945 44.671 42.059 -0.555 0.000 1.219 45 L HN -0.081 7.976 8.230 -0.050 0.143 0.441 46 P HA 0.218 4.717 4.420 0.132 0.000 0.235 46 P C -2.274 175.273 177.300 0.412 0.000 1.725 46 P CA -0.285 62.900 63.100 0.142 0.000 0.894 46 P CB -1.725 30.052 31.700 0.129 0.000 1.704 47 W N -1.324 120.070 121.300 0.157 0.000 2.606 47 W HA 0.503 5.398 4.660 0.123 -0.162 0.332 47 W C -0.154 176.490 176.519 0.210 0.000 1.052 47 W CA -4.187 53.263 57.345 0.175 0.000 1.223 47 W CB 2.244 31.829 29.460 0.209 0.000 1.383 47 W HN 0.046 8.341 8.180 0.341 0.089 0.524 48 E N 4.564 124.978 120.200 0.357 0.000 1.775 48 E HA -0.020 4.465 4.350 0.225 0.000 0.266 48 E C -0.499 176.274 176.600 0.287 0.000 1.191 48 E CA -0.811 55.738 56.400 0.247 0.000 1.048 48 E CB -0.091 29.697 29.700 0.147 0.000 1.081 48 E HN 0.698 9.123 8.360 0.293 0.111 0.434 49 F N 9.171 129.179 119.950 0.098 0.000 2.566 49 F HA 0.215 4.914 4.527 -0.011 -0.179 0.349 49 F C -0.448 175.321 175.800 -0.052 0.000 1.245 49 F CA -2.720 55.241 58.000 -0.065 0.000 1.169 49 F CB -0.023 38.715 39.000 -0.436 0.000 1.470 49 F HN 0.108 8.619 8.300 0.424 0.043 0.634 50 V N 5.451 125.339 119.914 -0.044 0.000 2.488 50 V HA 0.484 4.515 4.120 -0.149 0.000 0.277 50 V C -1.749 174.189 176.094 -0.261 0.000 1.046 50 V CA -3.267 58.948 62.300 -0.141 0.000 0.986 50 V CB 0.433 32.227 31.823 -0.049 0.000 0.989 50 V HN 0.525 8.782 8.190 0.112 0.000 0.475 51 P HA 0.100 4.394 4.420 -0.209 0.000 0.274 51 P C -0.523 176.649 177.300 -0.212 0.000 1.231 51 P CA -0.476 62.492 63.100 -0.221 0.000 0.790 51 P CB 0.838 32.467 31.700 -0.119 0.000 0.951 52 V N -1.533 118.197 119.914 -0.306 0.000 2.302 52 V HA -0.267 3.747 4.120 -0.176 0.000 0.243 52 V C 0.011 176.046 176.094 -0.098 0.000 1.036 52 V CA 1.841 64.012 62.300 -0.216 0.000 1.020 52 V CB 0.314 31.967 31.823 -0.283 0.000 0.657 52 V HN 0.413 8.313 8.190 -0.482 0.000 0.453 53 Q N -2.631 117.144 119.800 -0.042 0.000 2.451 53 Q HA 0.212 4.550 4.340 -0.003 0.000 0.281 53 Q C -1.152 174.893 176.000 0.075 0.000 1.099 53 Q CA -0.945 54.870 55.803 0.021 0.000 0.806 53 Q CB 1.949 30.716 28.738 0.049 0.000 1.419 53 Q HN -0.666 7.572 8.270 -0.052 0.000 0.427 54 R N -0.131 120.398 120.500 0.049 0.000 2.105 54 R HA -0.287 4.097 4.340 0.075 0.000 0.239 54 R C -1.382 174.959 176.300 0.069 0.000 1.135 54 R CA 2.247 58.382 56.100 0.058 0.000 0.967 54 R CB 0.491 30.800 30.300 0.015 0.000 0.861 54 R HN 0.407 8.691 8.270 0.023 0.000 0.442 55 D N -7.277 113.136 120.400 0.022 0.000 2.615 55 D HA 0.593 5.157 4.640 -0.300 -0.104 0.267 55 D C -1.133 175.134 176.300 -0.056 0.000 1.236 55 D CA -1.450 52.483 54.000 -0.111 0.000 0.839 55 D CB 2.808 43.544 40.800 -0.106 0.000 1.380 55 D HN -0.619 7.766 8.370 0.024 0.000 0.433 56 I N -8.019 112.471 120.570 -0.134 0.000 3.354 56 I HA 0.668 4.851 4.170 0.022 0.000 0.316 56 I C -2.466 173.628 176.117 -0.038 0.000 1.182 56 I CA -1.926 59.361 61.300 -0.022 0.000 0.942 56 I CB 4.350 42.408 38.000 0.096 0.000 1.299 56 I HN 0.502 8.451 8.210 -0.264 0.102 0.473 57 D N -1.008 119.404 120.400 0.020 0.000 2.490 57 D HA 0.753 5.563 4.640 0.013 -0.162 0.232 57 D C -1.438 174.909 176.300 0.078 0.000 1.053 57 D CA -1.533 52.485 54.000 0.029 0.000 0.914 57 D CB 3.288 44.094 40.800 0.011 0.000 1.431 57 D HN -0.056 8.344 8.370 0.050 0.000 0.483 58 V N -6.110 113.854 119.914 0.082 0.000 2.789 58 V HA 0.494 4.794 4.120 0.076 -0.134 0.311 58 V C -0.965 175.148 176.094 0.032 0.000 1.073 58 V CA -2.580 59.768 62.300 0.079 0.000 0.921 58 V CB 4.025 35.921 31.823 0.122 0.000 1.009 58 V HN 0.700 8.823 8.190 0.062 0.105 0.426 59 R N 5.272 125.776 120.500 0.006 0.000 2.441 59 R HA 0.027 4.544 4.340 -0.008 -0.182 0.300 59 R C 1.490 177.773 176.300 -0.029 0.000 1.284 59 R CA -2.518 53.573 56.100 -0.015 0.000 1.069 59 R CB -2.031 28.253 30.300 -0.027 0.000 1.087 59 R HN 0.768 9.441 8.270 0.004 -0.400 0.519 60 I N -1.508 119.056 120.570 -0.011 0.000 2.728 60 I HA -0.436 3.748 4.170 0.023 0.000 0.127 60 I C -0.682 175.417 176.117 -0.031 0.000 0.882 60 I CA 1.859 63.158 61.300 -0.002 0.000 2.784 60 I CB -2.181 35.816 38.000 -0.005 0.000 0.550 60 I HN 0.275 8.484 8.210 -0.002 0.000 0.353 61 G N 1.766 110.531 108.800 -0.058 0.000 3.211 61 G HA2 -0.372 3.334 3.960 -0.423 0.000 0.202 61 G HA3 -0.372 3.383 3.960 -0.342 0.000 0.202 61 G C -0.891 173.691 174.900 -0.529 0.000 1.035 61 G CA -0.504 44.383 45.100 -0.355 0.000 0.846 61 G HN -0.157 8.129 8.290 -0.006 0.000 0.464 62 E N 4.073 124.142 120.200 -0.219 0.000 2.734 62 E HA -0.230 4.017 4.350 -0.172 0.000 0.235 62 E C -0.438 176.112 176.600 -0.082 0.000 1.107 62 E CA 0.457 56.773 56.400 -0.141 0.000 0.951 62 E CB 0.204 29.877 29.700 -0.045 0.000 0.955 62 E HN -0.047 8.111 8.360 -0.135 0.121 0.515 63 T N 3.071 117.545 114.554 -0.133 0.000 2.933 63 T HA -0.166 4.463 4.350 0.230 -0.141 0.263 63 T C -0.406 174.353 174.700 0.097 0.000 0.925 63 T CA -0.025 62.098 62.100 0.037 0.000 1.156 63 T CB -1.023 67.831 68.868 -0.024 0.000 0.916 63 T HN -0.074 8.032 8.240 -0.223 0.000 0.601 64 V N 5.735 125.750 119.914 0.170 0.000 2.539 64 V HA 0.160 4.350 4.120 0.117 0.000 0.292 64 V C -1.786 174.426 176.094 0.197 0.000 1.045 64 V CA -2.525 59.879 62.300 0.173 0.000 0.945 64 V CB 2.746 34.690 31.823 0.203 0.000 0.993 64 V HN 0.133 8.454 8.190 0.220 0.000 0.464 65 Q N 8.081 127.962 119.800 0.134 0.000 2.295 65 Q HA 0.241 4.844 4.340 0.132 -0.184 0.259 65 Q C -0.683 175.362 176.000 0.075 0.000 0.976 65 Q CA -0.543 55.324 55.803 0.107 0.000 0.923 65 Q CB 0.220 29.000 28.738 0.070 0.000 1.185 65 Q HN 0.299 8.633 8.270 0.105 0.000 0.410 66 I N 3.742 124.339 120.570 0.045 0.000 2.439 66 I HA 0.380 4.487 4.170 -0.105 0.000 0.285 66 I C -1.341 174.662 176.117 -0.190 0.000 1.021 66 I CA -1.690 59.542 61.300 -0.113 0.000 1.091 66 I CB 1.248 39.121 38.000 -0.211 0.000 1.242 66 I HN 0.938 9.095 8.210 0.090 0.107 0.439 67 M N 5.248 124.721 119.600 -0.212 0.000 2.157 67 M HA 0.054 4.649 4.480 -0.035 -0.136 0.304 67 M C -0.600 175.437 176.300 -0.439 0.000 1.171 67 M CA 1.284 56.483 55.300 -0.169 0.000 1.157 67 M CB 1.417 33.959 32.600 -0.096 0.000 1.403 67 M HN 0.184 8.372 8.290 -0.170 0.000 0.473 68 Y N -4.903 115.404 120.300 0.011 0.000 2.553 68 Y HA 0.350 4.886 4.550 -0.022 0.000 0.347 68 Y C -1.498 174.428 175.900 0.044 0.000 1.019 68 Y CA -1.115 57.007 58.100 0.035 0.000 1.032 68 Y CB 4.588 43.147 38.460 0.165 0.000 1.284 68 Y HN 0.494 8.838 8.280 0.108 0.000 0.466 69 R N 0.892 121.523 120.500 0.218 0.000 2.651 69 R HA 0.710 5.267 4.340 0.117 -0.147 0.278 69 R C -2.777 173.660 176.300 0.229 0.000 1.010 69 R CA -1.313 54.875 56.100 0.146 0.000 0.896 69 R CB 4.765 35.099 30.300 0.056 0.000 1.211 69 R HN -0.026 8.393 8.270 0.248 0.000 0.456 70 A N 5.453 128.380 122.820 0.179 0.000 2.499 70 A HA 0.582 5.212 4.320 0.314 -0.121 0.280 70 A C -2.111 175.488 177.584 0.023 0.000 1.135 70 A CA -1.046 51.128 52.037 0.228 0.000 0.744 70 A CB 2.817 22.059 19.000 0.403 0.000 1.213 70 A HN 1.173 9.267 8.150 0.090 0.110 0.434 71 K N 5.064 125.486 120.400 0.037 0.000 2.297 71 K HA 0.058 4.437 4.320 -0.122 -0.132 0.286 71 K C -0.590 175.935 176.600 -0.126 0.000 1.053 71 K CA -0.720 55.533 56.287 -0.058 0.000 0.940 71 K CB 0.906 33.406 32.500 -0.001 0.000 1.019 71 K HN -0.342 7.981 8.250 0.122 0.000 0.475 72 N N 4.748 123.232 118.700 -0.361 0.000 2.399 72 N HA -0.032 4.373 4.740 -0.559 0.000 0.259 72 N C -0.365 175.126 175.510 -0.032 0.000 1.160 72 N CA -0.162 52.627 53.050 -0.436 0.000 0.946 72 N CB -0.235 37.862 38.487 -0.651 0.000 1.156 72 N HN 0.576 8.624 8.380 -0.368 0.111 0.489 73 L N 4.569 125.882 121.223 0.150 0.000 2.791 73 L HA 0.242 4.627 4.340 0.075 0.000 0.239 73 L C -0.455 176.505 176.870 0.151 0.000 1.203 73 L CA -0.975 53.943 54.840 0.130 0.000 1.002 73 L CB -0.927 41.212 42.059 0.133 0.000 1.295 73 L HN 0.036 8.451 8.230 0.308 0.000 0.504 74 A N 0.105 123.042 122.820 0.196 0.000 2.332 74 A HA 0.029 4.420 4.320 0.120 0.000 0.258 74 A C -1.005 176.634 177.584 0.092 0.000 1.087 74 A CA -0.543 51.582 52.037 0.147 0.000 0.802 74 A CB 1.366 20.477 19.000 0.185 0.000 1.042 74 A HN 0.188 8.793 8.150 0.244 -0.309 0.489 75 S N -0.681 115.059 115.700 0.067 0.000 2.614 75 S HA 0.053 4.546 4.470 0.039 0.000 0.230 75 S C -1.084 173.541 174.600 0.041 0.000 0.952 75 S CA 0.593 58.819 58.200 0.045 0.000 0.949 75 S CB -0.037 63.184 63.200 0.035 0.000 0.786 75 S HN 0.488 8.838 8.310 0.067 0.000 0.478 76 T N -2.514 112.074 114.554 0.055 0.000 2.864 76 T HA 0.374 4.746 4.350 0.037 0.000 0.299 76 T C -2.791 171.955 174.700 0.077 0.000 1.166 76 T CA -3.090 59.040 62.100 0.051 0.000 1.007 76 T CB 1.585 70.478 68.868 0.042 0.000 1.219 76 T HN -0.797 7.386 8.240 0.077 0.103 0.506 77 P HA 0.102 4.709 4.420 0.107 -0.123 0.269 77 P C -0.717 176.671 177.300 0.147 0.000 1.209 77 P CA -0.353 62.806 63.100 0.100 0.000 0.776 77 P CB 0.611 32.348 31.700 0.062 0.000 0.876 78 T N 0.529 115.249 114.554 0.276 0.000 2.926 78 T HA 0.315 4.717 4.350 0.085 0.000 0.289 78 T C -0.943 173.893 174.700 0.226 0.000 1.054 78 T CA -1.513 60.718 62.100 0.218 0.000 1.015 78 T CB 3.100 72.060 68.868 0.154 0.000 1.167 78 T HN 0.581 9.033 8.240 0.353 0.000 0.526 79 T N 1.458 116.013 114.554 0.003 0.000 2.881 79 T HA 0.275 4.796 4.350 0.092 -0.116 0.278 79 T C -1.157 173.325 174.700 -0.364 0.000 0.982 79 T CA -1.358 60.713 62.100 -0.049 0.000 0.989 79 T CB 1.187 70.001 68.868 -0.090 0.000 1.058 79 T HN 0.473 8.648 8.240 -0.108 0.000 0.529 80 G N -1.067 107.547 108.800 -0.308 0.000 2.706 80 G HA2 0.503 4.029 3.960 -0.722 0.000 0.297 80 G HA3 0.503 4.011 3.960 -0.754 0.000 0.297 80 G C -3.034 171.689 174.900 -0.296 0.000 1.403 80 G CA -0.390 44.368 45.100 -0.570 0.000 0.954 80 G HN 0.135 8.282 8.290 -0.110 0.077 0.500 81 Q N -2.814 116.787 119.800 -0.333 0.000 2.713 81 Q HA -0.053 4.253 4.340 -0.118 -0.037 0.231 81 Q C -1.990 173.887 176.000 -0.204 0.000 0.637 81 Q CA -0.405 55.282 55.803 -0.193 0.000 1.047 81 Q CB -1.269 27.375 28.738 -0.156 0.000 1.464 81 Q HN 0.089 8.064 8.270 -0.492 0.000 0.347 82 A N 1.178 123.855 122.820 -0.238 0.000 2.354 82 A HA 0.338 4.573 4.320 -0.142 0.000 0.269 82 A C -0.624 176.911 177.584 -0.082 0.000 1.109 82 A CA -0.255 51.690 52.037 -0.154 0.000 0.800 82 A CB 1.189 20.004 19.000 -0.309 0.000 1.045 82 A HN 0.603 9.074 8.150 -0.249 -0.470 0.489 83 T N 2.949 117.456 114.554 -0.078 0.000 2.849 83 T HA 0.062 4.071 4.350 -0.568 0.000 0.284 83 T C -1.225 173.224 174.700 -0.419 0.000 1.004 83 T CA 0.417 62.342 62.100 -0.292 0.000 1.021 83 T CB 0.876 69.732 68.868 -0.020 0.000 1.013 83 T HN 0.177 8.466 8.240 0.081 0.000 0.527 84 F N -2.883 116.835 119.950 -0.387 0.000 2.692 84 F HA 0.883 5.221 4.527 -0.515 -0.120 0.320 84 F C -2.109 173.491 175.800 -0.334 0.000 1.123 84 F CA -3.897 53.770 58.000 -0.555 0.000 0.961 84 F CB 2.742 41.137 39.000 -1.008 0.000 1.383 84 F HN -0.178 7.866 8.300 -0.427 0.000 0.483 85 N N -0.561 118.114 118.700 -0.041 0.000 2.531 85 N HA 0.291 4.993 4.740 -0.064 0.000 0.268 85 N C -1.925 173.407 175.510 -0.296 0.000 1.023 85 N CA -0.534 52.449 53.050 -0.113 0.000 0.896 85 N CB 2.211 40.653 38.487 -0.075 0.000 1.233 85 N HN 0.658 8.854 8.380 -0.125 0.109 0.512 86 V N 7.190 126.814 119.914 -0.482 0.000 2.008 86 V HA -0.053 3.603 4.120 -0.773 0.000 0.262 86 V C -1.760 174.123 176.094 -0.352 0.000 1.580 86 V CA 0.053 61.949 62.300 -0.673 0.000 1.515 86 V CB -1.672 29.556 31.823 -0.992 0.000 1.474 86 V HN 0.378 8.307 8.190 -0.436 0.000 0.504 87 T N 0.574 115.020 114.554 -0.181 0.000 3.003 87 T HA 0.194 4.569 4.350 0.040 0.000 0.354 87 T C -2.071 172.628 174.700 -0.003 0.000 1.651 87 T CA -2.719 59.357 62.100 -0.039 0.000 1.103 87 T CB 2.809 71.649 68.868 -0.047 0.000 1.450 87 T HN -0.593 7.499 8.240 -0.185 0.037 0.484 88 P HA 0.015 4.445 4.420 0.016 0.000 0.217 88 P C -0.703 176.606 177.300 0.015 0.000 1.150 88 P CA 1.987 65.104 63.100 0.028 0.000 0.832 88 P CB 0.719 32.443 31.700 0.041 0.000 0.787 89 M N -7.590 112.023 119.600 0.021 0.000 1.345 89 M HA 0.076 4.558 4.480 0.003 0.000 0.173 89 M C 0.376 176.691 176.300 0.026 0.000 1.332 89 M CA 1.291 56.600 55.300 0.015 0.000 0.580 89 M CB 0.185 32.794 32.600 0.016 0.000 1.700 89 M HN -0.452 7.832 8.290 0.032 0.025 0.647 90 A N 1.551 124.400 122.820 0.049 0.000 1.929 90 A HA -0.009 4.344 4.320 0.055 0.000 0.216 90 A C 0.253 177.901 177.584 0.107 0.000 1.176 90 A CA 2.355 54.436 52.037 0.072 0.000 0.628 90 A CB -0.828 18.222 19.000 0.084 0.000 0.816 90 A HN 0.358 8.537 8.150 0.049 0.000 0.444 91 A N -2.189 120.711 122.820 0.133 0.000 3.470 91 A HA -0.108 4.438 4.320 0.376 0.000 0.174 91 A C 1.408 178.996 177.584 0.008 0.000 1.652 91 A CA 0.742 52.903 52.037 0.206 0.000 0.777 91 A CB 0.020 19.191 19.000 0.284 0.000 1.128 91 A HN -0.280 7.936 8.150 0.111 0.000 0.452 92 G N -1.040 107.790 108.800 0.049 0.000 3.548 92 G HA2 -0.377 3.691 3.960 0.086 0.000 0.224 92 G HA3 -0.377 3.580 3.960 -0.095 -0.054 0.224 92 G C 1.499 176.321 174.900 -0.130 0.000 1.351 92 G CA 1.348 46.434 45.100 -0.023 0.000 0.905 92 G HN 0.063 8.452 8.290 0.165 0.000 0.561 93 A N 2.883 125.487 122.820 -0.361 0.000 1.884 93 A HA -0.369 3.756 4.320 -0.324 0.000 0.219 93 A C 0.246 177.522 177.584 -0.513 0.000 1.197 93 A CA 2.733 54.446 52.037 -0.541 0.000 0.637 93 A CB -0.214 18.267 19.000 -0.866 0.000 0.827 93 A HN -0.074 7.787 8.150 -0.356 0.076 0.450 94 Y N -7.151 113.187 120.300 0.062 0.000 2.619 94 Y HA -0.112 4.450 4.550 0.021 0.000 0.308 94 Y C -0.490 175.445 175.900 0.059 0.000 1.192 94 Y CA -1.616 56.511 58.100 0.045 0.000 1.319 94 Y CB -1.760 36.721 38.460 0.036 0.000 1.030 94 Y HN -0.400 7.139 8.280 -1.234 0.000 0.517 95 F N 3.171 123.104 119.950 -0.027 0.000 2.462 95 F HA 0.127 4.773 4.527 0.199 0.000 0.354 95 F C -1.500 174.277 175.800 -0.040 0.000 1.192 95 F CA -0.993 57.049 58.000 0.069 0.000 1.173 95 F CB -0.292 38.734 39.000 0.043 0.000 1.402 95 F HN 0.189 8.349 8.300 0.126 0.215 0.595 96 N N 9.957 128.503 118.700 -0.257 0.000 2.895 96 N HA 0.023 4.599 4.740 -0.273 0.000 0.277 96 N C -0.921 174.332 175.510 -0.429 0.000 1.185 96 N CA -0.150 52.564 53.050 -0.560 0.000 1.106 96 N CB -0.693 36.970 38.487 -1.374 0.000 1.422 96 N HN 0.047 8.150 8.380 -0.461 0.000 0.521 97 K N 1.786 122.299 120.400 0.188 0.000 2.102 97 K HA 0.185 4.695 4.320 0.316 0.000 0.244 97 K C 0.056 176.698 176.600 0.069 0.000 1.021 97 K CA -0.676 55.773 56.287 0.269 0.000 0.913 97 K CB 1.007 33.765 32.500 0.430 0.000 1.062 97 K HN -0.236 8.132 8.250 0.280 0.050 0.485 98 V N 0.820 120.804 119.914 0.116 0.000 2.740 98 V HA -0.145 4.001 4.120 0.043 0.000 0.303 98 V C 0.426 176.549 176.094 0.049 0.000 1.054 98 V CA 1.104 63.450 62.300 0.078 0.000 1.106 98 V CB -0.014 31.877 31.823 0.113 0.000 0.957 98 V HN 0.188 8.491 8.190 0.188 0.000 0.486 99 Q N 8.168 127.965 119.800 -0.005 0.000 2.286 99 Q HA 0.028 4.323 4.340 -0.075 0.000 0.169 99 Q C -0.103 175.815 176.000 -0.137 0.000 1.082 99 Q CA -0.298 55.458 55.803 -0.080 0.000 1.101 99 Q CB 0.417 29.096 28.738 -0.099 0.000 1.877 99 Q HN 0.279 8.550 8.270 0.001 0.000 0.561 100 C N -0.055 119.027 119.300 -0.363 0.000 4.167 100 C HA -0.334 3.412 4.460 -1.189 0.000 0.302 100 C C -0.344 174.469 174.990 -0.296 0.000 1.384 100 C CA 0.294 58.984 59.018 -0.546 0.000 2.041 100 C CB -1.345 26.308 27.740 -0.143 0.000 1.303 100 C HN 0.268 8.260 8.230 -0.398 0.000 0.718 101 F N -5.160 114.855 119.950 0.108 0.000 2.574 101 F HA -0.502 4.108 4.527 0.139 0.000 0.630 101 F C 0.913 176.820 175.800 0.178 0.000 0.496 101 F CA 1.952 60.030 58.000 0.129 0.000 0.836 101 F CB -2.066 36.991 39.000 0.095 0.000 1.679 101 F HN 0.287 8.204 8.300 -0.638 0.000 0.260 102 C N 1.705 121.185 119.300 0.300 0.000 2.503 102 C HA -0.240 4.339 4.460 0.198 0.000 0.302 102 C C -0.194 174.936 174.990 0.234 0.000 1.475 102 C CA 1.141 60.309 59.018 0.250 0.000 1.625 102 C CB -1.443 26.439 27.740 0.237 0.000 1.564 102 C HN 0.015 8.255 8.230 0.232 0.129 0.603 103 F N 4.772 124.835 119.950 0.188 0.000 2.604 103 F HA -0.131 4.492 4.527 0.160 0.000 0.337 103 F C -1.349 174.525 175.800 0.123 0.000 1.294 103 F CA -0.028 58.075 58.000 0.171 0.000 1.066 103 F CB -0.670 38.473 39.000 0.239 0.000 1.391 103 F HN 0.034 8.516 8.300 0.472 0.101 0.652 104 T N 9.632 124.065 114.554 -0.202 0.000 3.316 104 T HA 0.104 4.444 4.350 -0.016 0.000 0.341 104 T C -0.509 174.068 174.700 -0.205 0.000 1.397 104 T CA -0.022 62.011 62.100 -0.113 0.000 1.085 104 T CB -0.401 68.441 68.868 -0.043 0.000 1.160 104 T HN -0.034 8.073 8.240 -0.190 0.019 0.694 105 E N 6.949 127.042 120.200 -0.178 0.000 2.099 105 E HA -0.162 4.170 4.350 -0.030 0.000 0.191 105 E C 0.698 177.385 176.600 0.144 0.000 0.962 105 E CA 0.789 57.186 56.400 -0.006 0.000 0.826 105 E CB 0.046 29.758 29.700 0.020 0.000 0.788 105 E HN -0.023 8.279 8.360 -0.097 0.000 0.461 106 T N 1.746 116.346 114.554 0.076 0.000 12.818 106 T HA -0.506 3.971 4.350 0.018 -0.117 0.419 106 T C -0.497 174.284 174.700 0.135 0.000 1.441 106 T CA 3.344 65.482 62.100 0.062 0.000 2.373 106 T CB -0.636 68.248 68.868 0.026 0.000 2.831 106 T HN 0.348 8.604 8.240 0.027 0.000 0.727 107 T N 1.892 116.568 114.554 0.203 0.000 2.942 107 T HA 0.349 5.095 4.350 0.433 -0.135 0.327 107 T C -1.974 172.797 174.700 0.117 0.000 1.360 107 T CA 0.128 62.376 62.100 0.247 0.000 1.055 107 T CB 2.388 71.318 68.868 0.104 0.000 1.261 107 T HN -0.011 8.264 8.240 0.148 0.054 0.485 108 L N 3.262 124.551 121.223 0.110 0.000 2.466 108 L HA 0.488 4.730 4.340 -0.164 0.000 0.258 108 L C -1.744 175.106 176.870 -0.034 0.000 0.973 108 L CA -1.218 53.517 54.840 -0.175 0.000 0.826 108 L CB 4.919 46.533 42.059 -0.741 0.000 1.372 108 L HN 0.709 9.160 8.230 0.368 0.000 0.409 109 E N 0.350 120.506 120.200 -0.074 0.000 2.314 109 E HA 0.218 4.575 4.350 0.011 0.000 0.262 109 E C -1.862 174.708 176.600 -0.049 0.000 1.093 109 E CA -2.350 54.031 56.400 -0.031 0.000 0.908 109 E CB 0.693 30.374 29.700 -0.032 0.000 1.091 109 E HN 0.368 8.658 8.360 -0.116 0.000 0.425 110 P HA -0.231 4.260 4.420 0.011 -0.064 0.274 110 P C -0.595 176.688 177.300 -0.029 0.000 1.291 110 P CA 0.762 63.860 63.100 -0.002 0.000 0.815 110 P CB -1.018 30.696 31.700 0.022 0.000 0.897 111 G N 5.701 114.467 108.800 -0.057 0.000 2.229 111 G HA2 -0.302 3.688 3.960 -0.046 0.000 0.189 111 G HA3 -0.302 3.633 3.960 -0.041 0.000 0.189 111 G C -0.593 174.248 174.900 -0.098 0.000 1.000 111 G CA -0.233 44.832 45.100 -0.059 0.000 0.663 111 G HN 0.081 8.322 8.290 -0.083 0.000 0.493 112 E N 1.420 121.530 120.200 -0.151 0.000 2.338 112 E HA 0.063 4.342 4.350 -0.119 0.000 0.272 112 E C -0.667 175.807 176.600 -0.210 0.000 1.029 112 E CA -0.356 55.942 56.400 -0.170 0.000 0.872 112 E CB 0.845 30.431 29.700 -0.191 0.000 1.015 112 E HN -0.285 7.978 8.360 -0.161 0.000 0.417 113 E N 4.468 124.579 120.200 -0.147 0.000 2.014 113 E HA 0.177 4.572 4.350 -0.134 -0.125 0.275 113 E C -0.821 175.702 176.600 -0.129 0.000 0.997 113 E CA -0.891 55.435 56.400 -0.124 0.000 0.804 113 E CB 0.262 29.919 29.700 -0.070 0.000 1.090 113 E HN 0.269 8.560 8.360 -0.115 0.000 0.401 114 M N 7.220 126.722 119.600 -0.164 0.000 2.185 114 M HA 0.131 4.541 4.480 -0.117 0.000 0.357 114 M C -2.000 174.273 176.300 -0.046 0.000 1.260 114 M CA -0.573 54.652 55.300 -0.124 0.000 1.124 114 M CB 1.201 33.695 32.600 -0.176 0.000 1.600 114 M HN 0.599 8.772 8.290 -0.195 0.000 0.467 115 E N 3.434 123.616 120.200 -0.030 0.000 2.366 115 E HA 0.803 5.317 4.350 0.038 -0.141 0.278 115 E C -1.769 174.834 176.600 0.004 0.000 0.923 115 E CA -1.394 55.010 56.400 0.007 0.000 0.761 115 E CB 3.466 33.169 29.700 0.006 0.000 1.231 115 E HN 0.260 8.592 8.360 -0.045 0.000 0.443 116 M N -1.076 118.545 119.600 0.034 0.000 2.470 116 M HA 0.490 4.985 4.480 0.024 0.000 0.285 116 M C -2.946 173.399 176.300 0.074 0.000 1.213 116 M CA -2.434 52.889 55.300 0.039 0.000 0.901 116 M CB 4.442 37.054 32.600 0.019 0.000 1.718 116 M HN 0.686 9.017 8.290 0.067 0.000 0.469 117 P HA 0.255 4.708 4.420 0.055 0.000 0.275 117 P C -1.056 176.326 177.300 0.137 0.000 1.227 117 P CA -0.604 62.543 63.100 0.079 0.000 0.781 117 P CB 0.121 31.858 31.700 0.062 0.000 0.906 118 V N 1.013 121.030 119.914 0.171 0.000 2.715 118 V HA 0.253 4.503 4.120 0.216 0.000 0.310 118 V C -1.000 175.212 176.094 0.198 0.000 1.054 118 V CA -1.411 61.025 62.300 0.227 0.000 0.928 118 V CB 4.021 36.052 31.823 0.346 0.000 1.007 118 V HN 0.147 8.300 8.190 0.119 0.108 0.437 119 V N 3.964 124.006 119.914 0.214 0.000 2.581 119 V HA 0.841 5.286 4.120 0.229 -0.187 0.303 119 V C -2.177 174.085 176.094 0.281 0.000 1.041 119 V CA -1.924 60.513 62.300 0.228 0.000 0.907 119 V CB 2.716 34.648 31.823 0.182 0.000 0.994 119 V HN -0.007 8.312 8.190 0.216 0.000 0.442 120 F N 8.308 128.376 119.950 0.197 0.000 2.619 120 F HA 0.922 5.631 4.527 -0.020 -0.194 0.308 120 F C -2.855 173.097 175.800 0.253 0.000 1.097 120 F CA -2.210 55.867 58.000 0.129 0.000 0.953 120 F CB 4.131 43.246 39.000 0.192 0.000 1.287 120 F HN 0.703 9.210 8.300 0.345 0.000 0.446 121 F N -0.146 118.777 119.950 -1.712 0.000 2.741 121 F HA 0.531 4.305 4.527 -1.254 0.000 0.313 121 F C -2.915 172.074 175.800 -1.351 0.000 1.153 121 F CA -1.903 55.268 58.000 -1.382 0.000 0.931 121 F CB 2.103 40.795 39.000 -0.513 0.000 1.335 121 F HN 0.564 7.517 8.300 -2.245 0.000 0.460 122 V N 0.462 120.147 119.914 -0.382 0.000 2.509 122 V HA 0.088 4.206 4.120 -0.195 -0.115 0.284 122 V C -0.698 175.435 176.094 0.065 0.000 1.047 122 V CA -0.624 61.602 62.300 -0.123 0.000 0.952 122 V CB 1.153 32.988 31.823 0.021 0.000 0.988 122 V HN 0.132 8.249 8.190 -0.122 0.000 0.469 123 D N 6.307 126.760 120.400 0.088 0.000 2.343 123 D HA 0.230 5.007 4.640 0.228 0.000 0.255 123 D C -0.091 176.264 176.300 0.091 0.000 1.187 123 D CA -1.924 52.174 54.000 0.164 0.000 0.875 123 D CB 2.196 43.132 40.800 0.226 0.000 1.136 123 D HN 0.317 8.629 8.370 0.074 0.103 0.469 124 P HA -0.151 4.254 4.420 -0.025 0.000 0.228 124 P C 1.098 178.353 177.300 -0.075 0.000 1.151 124 P CA 1.317 64.408 63.100 -0.015 0.000 0.770 124 P CB -0.004 31.687 31.700 -0.015 0.000 0.786 125 E N -0.736 119.424 120.200 -0.067 0.000 2.331 125 E HA -0.347 3.911 4.350 -0.153 0.000 0.199 125 E C 1.483 177.724 176.600 -0.598 0.000 1.008 125 E CA 2.294 58.578 56.400 -0.192 0.000 0.843 125 E CB -0.606 29.084 29.700 -0.016 0.000 0.761 125 E HN 0.146 8.910 8.360 0.024 -0.390 0.507 126 I N -1.026 119.192 120.570 -0.586 0.000 2.194 126 I HA -0.364 3.054 4.170 -1.252 0.000 0.246 126 I C -0.106 175.802 176.117 -0.348 0.000 1.093 126 I CA 3.117 64.052 61.300 -0.608 0.000 1.355 126 I CB 0.711 38.620 38.000 -0.151 0.000 1.046 126 I HN 0.027 7.937 8.210 -0.245 0.153 0.413 127 V N -6.650 113.140 119.914 -0.207 0.000 2.346 127 V HA 0.035 4.082 4.120 -0.122 0.000 0.320 127 V C -0.939 175.073 176.094 -0.136 0.000 1.663 127 V CA 0.519 62.738 62.300 -0.135 0.000 1.667 127 V CB -2.195 29.580 31.823 -0.080 0.000 1.465 127 V HN -0.145 7.805 8.190 -0.182 0.131 0.524 128 K N 1.832 122.123 120.400 -0.181 0.000 2.755 128 K HA 0.263 4.529 4.320 -0.089 0.000 0.214 128 K C -1.990 174.548 176.600 -0.104 0.000 1.572 128 K CA -0.096 56.113 56.287 -0.129 0.000 1.020 128 K CB -0.122 32.303 32.500 -0.125 0.000 1.905 128 K HN -0.117 7.894 8.250 -0.248 0.090 0.467 129 P HA 0.198 4.600 4.420 -0.030 0.000 0.276 129 P C 0.020 177.301 177.300 -0.030 0.000 1.244 129 P CA -0.627 62.444 63.100 -0.049 0.000 0.801 129 P CB 1.078 32.774 31.700 -0.007 0.000 1.006 130 V N 0.102 120.012 119.914 -0.007 0.000 2.469 130 V HA -0.458 3.658 4.120 -0.006 0.000 0.251 130 V C 1.193 177.295 176.094 0.013 0.000 1.064 130 V CA 3.452 65.752 62.300 0.001 0.000 1.066 130 V CB 0.046 31.873 31.823 0.006 0.000 0.667 130 V HN 0.234 8.423 8.190 -0.001 0.000 0.461 131 E N -1.936 118.283 120.200 0.031 0.000 2.095 131 E HA -0.289 4.091 4.350 0.050 0.000 0.212 131 E C 0.441 177.071 176.600 0.051 0.000 1.044 131 E CA 2.506 58.940 56.400 0.056 0.000 0.857 131 E CB 0.013 29.780 29.700 0.111 0.000 0.764 131 E HN 0.209 8.567 8.360 0.034 0.022 0.462 132 T N -4.725 109.851 114.554 0.036 0.000 3.053 132 T HA 0.042 4.425 4.350 0.056 0.000 0.236 132 T C 0.918 175.618 174.700 0.001 0.000 0.996 132 T CA 0.334 62.453 62.100 0.031 0.000 1.185 132 T CB 1.071 69.945 68.868 0.010 0.000 0.892 132 T HN -0.607 7.642 8.240 0.015 0.000 0.432 133 Q N 3.453 123.238 119.800 -0.025 0.000 2.325 133 Q HA -0.412 3.904 4.340 -0.041 0.000 0.346 133 Q C -0.061 175.930 176.000 -0.016 0.000 1.253 133 Q CA 1.543 57.331 55.803 -0.026 0.000 1.050 133 Q CB -1.473 27.255 28.738 -0.018 0.000 1.291 133 Q HN -0.118 8.126 8.270 -0.042 0.000 0.431 134 G N -4.363 104.428 108.800 -0.015 0.000 3.505 134 G HA2 -0.261 3.693 3.960 -0.011 0.000 0.210 134 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.210 134 G C -0.872 174.027 174.900 -0.001 0.000 1.047 134 G CA -0.373 44.722 45.100 -0.008 0.000 0.884 134 G HN -0.005 8.258 8.290 -0.021 0.014 0.434 135 I N 6.442 127.017 120.570 0.008 0.000 2.752 135 I HA -0.305 3.877 4.170 0.019 0.000 0.286 135 I C -0.964 175.164 176.117 0.018 0.000 1.180 135 I CA 0.644 61.957 61.300 0.022 0.000 1.404 135 I CB -1.306 36.722 38.000 0.047 0.000 1.389 135 I HN -0.008 8.079 8.210 0.009 0.128 0.549 136 K N 5.014 125.423 120.400 0.014 0.000 3.218 136 K HA 0.195 4.529 4.320 0.023 0.000 0.187 136 K C -2.060 174.542 176.600 0.003 0.000 1.186 136 K CA -0.800 55.494 56.287 0.011 0.000 0.827 136 K CB 0.759 33.259 32.500 0.000 0.000 1.083 136 K HN -0.133 8.123 8.250 0.011 0.000 0.583 137 T N 0.483 115.041 114.554 0.006 0.000 3.186 137 T HA 0.346 4.891 4.350 -0.026 -0.211 0.320 137 T C -1.125 173.574 174.700 -0.003 0.000 0.955 137 T CA -0.567 61.525 62.100 -0.015 0.000 1.030 137 T CB 1.428 70.280 68.868 -0.027 0.000 1.013 137 T HN -0.361 7.893 8.240 0.023 0.000 0.454 138 L N 6.508 127.724 121.223 -0.012 0.000 2.417 138 L HA 0.182 4.587 4.340 0.108 0.000 0.268 138 L C -1.360 175.530 176.870 0.034 0.000 1.158 138 L CA -0.053 54.813 54.840 0.044 0.000 0.819 138 L CB 2.045 44.105 42.059 0.002 0.000 1.112 138 L HN 0.055 8.262 8.230 -0.038 0.000 0.458 139 T N 1.965 116.628 114.554 0.182 0.000 2.923 139 T HA 0.283 4.830 4.350 0.118 -0.127 0.311 139 T C -2.664 172.130 174.700 0.156 0.000 1.183 139 T CA -2.168 60.020 62.100 0.147 0.000 1.020 139 T CB 1.922 70.808 68.868 0.030 0.000 1.165 139 T HN -0.190 8.200 8.240 0.250 0.000 0.482 140 L N 5.519 126.778 121.223 0.061 0.000 2.342 140 L HA 0.516 4.781 4.340 -0.389 -0.158 0.276 140 L C -2.223 174.594 176.870 -0.089 0.000 0.997 140 L CA -1.448 53.242 54.840 -0.249 0.000 0.838 140 L CB 2.911 44.662 42.059 -0.513 0.000 1.224 140 L HN 0.068 8.391 8.230 0.154 0.000 0.416 141 S N 7.092 122.720 115.700 -0.120 0.000 2.400 141 S HA 0.272 5.054 4.470 0.007 -0.307 0.295 141 S C -1.405 173.140 174.600 -0.092 0.000 1.113 141 S CA -0.903 57.264 58.200 -0.055 0.000 1.064 141 S CB 0.432 63.600 63.200 -0.054 0.000 0.990 141 S HN 0.823 8.921 8.310 -0.183 0.102 0.502 142 Y N 10.691 131.019 120.300 0.046 0.000 2.328 142 Y HA 0.298 4.911 4.550 0.105 0.000 0.337 142 Y C -1.396 174.559 175.900 0.092 0.000 1.008 142 Y CA -1.841 56.319 58.100 0.101 0.000 1.129 142 Y CB 3.072 41.628 38.460 0.161 0.000 1.185 142 Y HN 1.137 9.398 8.280 0.153 0.111 0.476 143 T N 9.996 124.690 114.554 0.233 0.000 3.060 143 T HA 0.193 4.678 4.350 0.037 -0.112 0.367 143 T C -1.002 173.782 174.700 0.140 0.000 1.229 143 T CA -0.694 61.379 62.100 -0.044 0.000 1.104 143 T CB -0.130 68.338 68.868 -0.666 0.000 1.083 143 T HN 0.914 9.206 8.240 0.087 0.000 0.524 144 F N 8.688 128.644 119.950 0.010 0.000 2.650 144 F HA -0.120 4.334 4.527 -0.122 0.000 0.338 144 F C -1.894 173.935 175.800 0.047 0.000 1.311 144 F CA -0.714 57.241 58.000 -0.076 0.000 1.106 144 F CB -1.833 37.052 39.000 -0.192 0.000 1.500 144 F HN 0.863 9.383 8.300 0.536 0.101 0.670 145 Y N -1.188 119.087 120.300 -0.042 0.000 2.720 145 Y HA 0.596 5.101 4.550 -0.075 0.000 0.264 145 Y C -1.819 173.999 175.900 -0.136 0.000 0.989 145 Y CA -4.909 53.148 58.100 -0.071 0.000 1.100 145 Y CB -1.607 36.850 38.460 -0.005 0.000 1.196 145 Y HN -0.187 8.292 8.280 0.392 0.036 0.631 146 P HA 0.046 4.326 4.420 -0.234 0.000 0.203 146 P C -0.625 176.546 177.300 -0.214 0.000 1.211 146 P CA 0.785 63.759 63.100 -0.210 0.000 0.913 146 P CB 1.426 32.977 31.700 -0.249 0.000 0.745 147 R N -3.513 116.858 120.500 -0.215 0.000 2.522 147 R HA 0.325 4.577 4.340 -0.146 0.000 0.273 147 R C -2.646 173.556 176.300 -0.164 0.000 1.133 147 R CA -0.837 55.163 56.100 -0.167 0.000 0.969 147 R CB 2.225 32.440 30.300 -0.143 0.000 1.235 147 R HN -0.354 7.754 8.270 -0.270 0.000 0.433 148 E N 4.556 124.685 120.200 -0.117 0.000 2.242 148 E HA 0.386 4.679 4.350 -0.095 0.000 0.275 148 E C -1.541 175.029 176.600 -0.050 0.000 1.002 148 E CA -2.401 53.951 56.400 -0.081 0.000 0.841 148 E CB 0.517 30.187 29.700 -0.050 0.000 1.109 148 E HN 0.205 8.506 8.360 -0.098 0.000 0.394 149 P HA 0.130 4.536 4.420 -0.024 0.000 0.213 149 P C -0.801 176.495 177.300 -0.006 0.000 1.169 149 P CA 0.681 63.771 63.100 -0.016 0.000 0.885 149 P CB 0.583 32.280 31.700 -0.004 0.000 0.779 150 S N -2.865 112.840 115.700 0.008 0.000 2.582 150 S HA 0.317 4.933 4.470 0.010 -0.140 0.287 150 S C -1.452 173.167 174.600 0.032 0.000 1.146 150 S CA 0.252 58.461 58.200 0.015 0.000 0.941 150 S CB 2.431 65.639 63.200 0.013 0.000 1.115 150 S HN -0.310 8.010 8.310 0.016 0.000 0.458 151 K N 0.000 120.423 120.400 0.039 0.000 2.780 151 K HA 0.000 4.358 4.320 0.064 0.000 0.191 151 K CA 0.000 56.320 56.287 0.056 0.000 0.838 151 K CB 0.000 32.545 32.500 0.075 0.000 1.064 151 K HN 0.000 8.677 8.250 0.030 -0.409 0.543