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 2ee7_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGMAS SVDEEALHQL YLWVDNIPLS RPKRNLSRDF SDGVLVAEVI DATA SEQUENCE KFYFPKMVEM HNYVPANSLQ QKLSNWGHLN RKVLKRLNFS VPDDVMRKIA DATA SEQUENCE QCAPGVVELV LIPLRQRLEE RQRRRKQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 174.901 174.900 0.002 0.000 0.946 1 G CA 0.000 45.101 45.100 0.001 0.000 0.502 2 S N -0.609 115.091 115.700 0.001 0.000 2.595 2 S HA 0.184 4.656 4.470 0.003 0.000 0.270 2 S C -1.735 172.866 174.600 0.001 0.000 1.145 2 S CA -0.491 57.710 58.200 0.002 0.000 0.825 2 S CB 1.137 64.340 63.200 0.004 0.000 1.107 2 S HN 0.039 8.349 8.310 0.000 0.000 0.461 3 S N 2.746 118.447 115.700 0.002 0.000 2.670 3 S HA 0.068 4.537 4.470 -0.003 0.000 0.328 3 S C -0.340 174.260 174.600 -0.001 0.000 1.179 3 S CA 0.386 58.586 58.200 -0.000 0.000 1.194 3 S CB -0.109 63.093 63.200 0.003 0.000 1.359 3 S HN 0.094 8.406 8.310 0.005 0.000 0.555 4 G N 2.472 111.270 108.800 -0.003 0.000 2.542 4 G HA2 0.261 4.220 3.960 -0.002 0.000 0.311 4 G HA3 0.261 4.220 3.960 -0.002 0.000 0.311 4 G C -1.520 173.377 174.900 -0.005 0.000 1.298 4 G CA 0.149 45.247 45.100 -0.003 0.000 0.973 4 G HN -0.129 8.159 8.290 -0.004 0.000 0.487 5 S N 0.185 115.882 115.700 -0.005 0.000 2.626 5 S HA 0.061 4.528 4.470 -0.006 0.000 0.275 5 S C -0.765 173.832 174.600 -0.005 0.000 1.175 5 S CA -0.025 58.171 58.200 -0.006 0.000 0.982 5 S CB 2.238 65.433 63.200 -0.009 0.000 1.093 5 S HN 0.007 8.315 8.310 -0.004 0.000 0.472 6 S N 3.784 119.481 115.700 -0.005 0.000 2.475 6 S HA 0.195 4.663 4.470 -0.004 0.000 0.281 6 S C -0.294 174.303 174.600 -0.005 0.000 1.198 6 S CA 0.107 58.304 58.200 -0.004 0.000 1.063 6 S CB 0.515 63.713 63.200 -0.003 0.000 0.972 6 S HN 0.245 8.553 8.310 -0.005 0.000 0.486 7 G N 3.580 112.377 108.800 -0.005 0.000 2.757 7 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.686 7 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.686 7 G C -1.416 173.480 174.900 -0.007 0.000 1.452 7 G CA -0.798 44.299 45.100 -0.005 0.000 0.922 7 G HN 0.120 8.407 8.290 -0.004 0.000 0.588 8 M N 0.877 120.472 119.600 -0.007 0.000 2.108 8 M HA -0.002 4.472 4.480 -0.010 0.000 0.354 8 M C -0.145 176.149 176.300 -0.010 0.000 1.229 8 M CA -0.357 54.938 55.300 -0.009 0.000 1.081 8 M CB 0.738 33.333 32.600 -0.009 0.000 1.606 8 M HN 0.057 8.343 8.290 -0.006 0.000 0.467 9 A N 5.669 128.481 122.820 -0.012 0.000 2.395 9 A HA 0.117 4.431 4.320 -0.011 0.000 0.286 9 A C -0.209 177.367 177.584 -0.013 0.000 1.193 9 A CA 0.080 52.109 52.037 -0.013 0.000 0.852 9 A CB -0.120 18.871 19.000 -0.015 0.000 1.118 9 A HN 0.470 8.612 8.150 -0.013 0.000 0.524 10 S N 3.324 119.017 115.700 -0.011 0.000 2.368 10 S HA -0.137 4.326 4.470 -0.011 0.000 0.225 10 S C 0.387 174.980 174.600 -0.012 0.000 1.030 10 S CA 1.455 59.649 58.200 -0.011 0.000 0.999 10 S CB 0.376 63.571 63.200 -0.009 0.000 0.844 10 S HN 0.587 8.891 8.310 -0.010 0.000 0.459 11 S N 1.606 117.299 115.700 -0.013 0.000 2.747 11 S HA 0.192 4.654 4.470 -0.013 0.000 0.300 11 S C -1.250 173.340 174.600 -0.017 0.000 1.121 11 S CA -0.618 57.574 58.200 -0.014 0.000 0.995 11 S CB 1.969 65.162 63.200 -0.012 0.000 1.113 11 S HN -0.435 7.868 8.310 -0.012 0.000 0.547 12 V N 0.746 120.650 119.914 -0.018 0.000 2.432 12 V HA 0.059 4.164 4.120 -0.025 0.000 0.275 12 V C -0.489 175.591 176.094 -0.023 0.000 1.043 12 V CA -0.464 61.822 62.300 -0.023 0.000 0.925 12 V CB 0.402 32.210 31.823 -0.025 0.000 0.985 12 V HN 0.130 8.310 8.190 -0.016 0.000 0.466 13 D N 7.573 127.958 120.400 -0.026 0.000 2.432 13 D HA 0.263 4.890 4.640 -0.021 0.000 0.258 13 D C 0.384 176.663 176.300 -0.034 0.000 1.146 13 D CA -0.937 53.048 54.000 -0.025 0.000 1.015 13 D CB 2.545 43.333 40.800 -0.020 0.000 1.107 13 D HN 0.017 8.371 8.370 -0.027 0.000 0.529 14 E N -0.906 119.274 120.200 -0.033 0.000 2.204 14 E HA -0.325 3.991 4.350 -0.057 0.000 0.194 14 E C 1.427 177.995 176.600 -0.054 0.000 0.989 14 E CA 2.635 59.007 56.400 -0.047 0.000 0.824 14 E CB -0.229 29.449 29.700 -0.037 0.000 0.756 14 E HN 0.302 8.647 8.360 -0.025 0.000 0.477 15 E N -1.213 118.971 120.200 -0.028 0.000 2.072 15 E HA -0.346 4.018 4.350 0.024 0.000 0.191 15 E C 1.986 178.573 176.600 -0.021 0.000 0.985 15 E CA 2.335 58.733 56.400 -0.004 0.000 0.801 15 E CB -0.751 28.951 29.700 0.004 0.000 0.750 15 E HN 0.236 8.552 8.360 -0.023 0.031 0.452 16 A N 0.008 122.803 122.820 -0.042 0.000 1.927 16 A HA -0.270 4.023 4.320 -0.045 0.000 0.220 16 A C 2.295 179.825 177.584 -0.091 0.000 1.185 16 A CA 2.966 54.970 52.037 -0.055 0.000 0.639 16 A CB -1.159 17.809 19.000 -0.054 0.000 0.820 16 A HN -0.176 7.951 8.150 -0.038 0.000 0.451 17 L N -3.174 117.954 121.223 -0.158 0.000 1.971 17 L HA -0.530 3.633 4.340 -0.294 0.000 0.215 17 L C 2.042 178.609 176.870 -0.503 0.000 1.072 17 L CA 3.414 58.028 54.840 -0.376 0.000 0.758 17 L CB -0.916 40.865 42.059 -0.463 0.000 0.889 17 L HN -0.578 7.569 8.230 -0.129 0.005 0.433 18 H N -1.356 117.456 119.070 -0.430 0.000 2.289 18 H HA -0.521 3.864 4.556 -0.285 0.000 0.294 18 H C 2.462 177.764 175.328 -0.043 0.000 1.095 18 H CA 3.203 59.114 56.048 -0.229 0.000 1.256 18 H CB 0.075 29.779 29.762 -0.096 0.000 1.359 18 H HN -0.657 7.532 8.280 -0.152 0.000 0.487 19 Q N -2.645 117.170 119.800 0.026 0.000 2.173 19 Q HA -0.397 3.920 4.340 -0.038 0.000 0.208 19 Q C 2.729 178.805 176.000 0.126 0.000 0.989 19 Q CA 2.977 58.788 55.803 0.012 0.000 0.872 19 Q CB -0.428 28.301 28.738 -0.015 0.000 0.909 19 Q HN -0.299 7.986 8.270 0.024 0.000 0.420 20 L N -0.609 120.695 121.223 0.135 0.000 2.240 20 L HA -0.194 4.305 4.340 0.266 0.000 0.211 20 L C 1.494 178.705 176.870 0.568 0.000 1.106 20 L CA 2.284 57.296 54.840 0.287 0.000 0.793 20 L CB -0.374 41.792 42.059 0.178 0.000 0.927 20 L HN -0.346 7.786 8.230 0.036 0.119 0.446 21 Y N -1.964 118.488 120.300 0.253 0.000 2.314 21 Y HA -0.256 4.450 4.550 0.259 0.000 0.293 21 Y C 2.563 178.586 175.900 0.206 0.000 1.129 21 Y CA 1.264 59.513 58.100 0.248 0.000 1.201 21 Y CB -0.678 37.930 38.460 0.247 0.000 0.999 21 Y HN -0.213 8.147 8.280 0.374 0.145 0.541 22 L N -1.679 119.749 121.223 0.343 0.000 2.095 22 L HA -0.312 4.119 4.340 0.151 0.000 0.204 22 L C 1.405 178.372 176.870 0.161 0.000 1.080 22 L CA 2.826 57.772 54.840 0.177 0.000 0.759 22 L CB -0.518 41.570 42.059 0.049 0.000 0.914 22 L HN 0.172 8.601 8.230 0.332 0.000 0.439 23 W N -0.243 121.090 121.300 0.054 0.000 2.304 23 W HA -0.485 4.177 4.660 0.003 0.000 0.315 23 W C 1.381 177.919 176.519 0.032 0.000 1.233 23 W CA 4.035 61.398 57.345 0.030 0.000 1.261 23 W CB -0.360 29.120 29.460 0.034 0.000 1.150 23 W HN -0.405 8.017 8.180 0.403 0.000 0.494 24 V N -1.717 118.019 119.914 -0.297 0.000 2.233 24 V HA -0.723 2.621 4.120 -1.293 0.000 0.247 24 V C 2.237 178.095 176.094 -0.392 0.000 1.050 24 V CA 4.520 66.461 62.300 -0.598 0.000 1.010 24 V CB -0.203 31.566 31.823 -0.089 0.000 0.637 24 V HN -0.872 7.460 8.190 0.238 0.001 0.444 25 D N -1.522 118.772 120.400 -0.176 0.000 2.133 25 D HA -0.403 4.144 4.640 -0.154 0.000 0.192 25 D C 1.129 177.322 176.300 -0.178 0.000 1.001 25 D CA 2.924 56.839 54.000 -0.142 0.000 0.844 25 D CB 0.133 40.901 40.800 -0.054 0.000 0.944 25 D HN -0.757 7.571 8.370 -0.070 0.000 0.447 26 N N -2.241 116.352 118.700 -0.179 0.000 2.060 26 N HA -0.272 4.398 4.740 -0.116 0.000 0.195 26 N C 0.932 176.287 175.510 -0.258 0.000 1.028 26 N CA 2.053 54.999 53.050 -0.173 0.000 0.861 26 N CB 0.478 38.888 38.487 -0.129 0.000 1.029 26 N HN -0.417 7.873 8.380 -0.147 0.003 0.428 27 I N 1.391 121.712 120.570 -0.415 0.000 2.618 27 I HA 0.005 3.842 4.170 -0.555 0.000 0.284 27 I C -1.833 174.080 176.117 -0.340 0.000 1.146 27 I CA -2.343 58.651 61.300 -0.510 0.000 1.425 27 I CB 0.081 37.663 38.000 -0.696 0.000 1.383 27 I HN -0.605 7.222 8.210 -0.507 0.079 0.562 28 P HA 0.012 4.359 4.420 -0.122 0.000 0.266 28 P C -1.552 175.684 177.300 -0.107 0.000 1.419 28 P CA -0.223 62.798 63.100 -0.132 0.000 1.112 28 P CB -0.972 30.699 31.700 -0.049 0.000 1.438 29 L N 4.814 125.960 121.223 -0.128 0.000 2.322 29 L HA 0.292 4.587 4.340 -0.074 0.000 0.281 29 L C 0.411 177.228 176.870 -0.088 0.000 1.014 29 L CA -1.039 53.736 54.840 -0.109 0.000 0.815 29 L CB 1.972 43.937 42.059 -0.157 0.000 1.247 29 L HN -0.388 7.755 8.230 -0.146 0.000 0.421 30 S N 5.400 121.063 115.700 -0.061 0.000 3.944 30 S HA -0.051 4.390 4.470 -0.050 0.000 0.215 30 S C -0.793 173.766 174.600 -0.069 0.000 1.220 30 S CA 0.560 58.728 58.200 -0.053 0.000 0.950 30 S CB -1.421 61.760 63.200 -0.032 0.000 1.615 30 S HN 0.649 8.931 8.310 -0.047 0.000 0.466 31 R N 3.946 124.395 120.500 -0.086 0.000 2.651 31 R HA 0.442 4.731 4.340 -0.085 0.000 0.278 31 R C -2.302 173.946 176.300 -0.087 0.000 1.010 31 R CA -2.724 53.317 56.100 -0.098 0.000 0.896 31 R CB 0.608 30.822 30.300 -0.144 0.000 1.211 31 R HN -0.146 8.030 8.270 -0.086 0.043 0.456 32 P HA 0.009 4.396 4.420 -0.055 0.000 0.296 32 P C -1.074 176.184 177.300 -0.070 0.000 1.295 32 P CA -0.700 62.362 63.100 -0.063 0.000 0.754 32 P CB 0.714 32.383 31.700 -0.052 0.000 1.311 33 K N 0.927 121.293 120.400 -0.056 0.000 2.267 33 K HA 0.077 4.360 4.320 -0.063 0.000 0.282 33 K C -0.186 176.381 176.600 -0.056 0.000 1.078 33 K CA 0.147 56.402 56.287 -0.055 0.000 0.903 33 K CB -0.901 31.575 32.500 -0.040 0.000 1.111 33 K HN 0.163 8.384 8.250 -0.047 0.000 0.475 34 R N 1.093 121.552 120.500 -0.070 0.000 2.739 34 R HA 0.051 4.360 4.340 -0.052 0.000 0.266 34 R C -1.490 174.759 176.300 -0.086 0.000 1.044 34 R CA -0.669 55.390 56.100 -0.068 0.000 0.885 34 R CB 0.615 30.874 30.300 -0.068 0.000 1.260 34 R HN -0.057 8.164 8.270 -0.081 0.000 0.477 35 N N -0.382 118.275 118.700 -0.072 0.000 2.237 35 N HA -0.193 4.496 4.740 -0.085 0.000 0.245 35 N C 1.211 176.648 175.510 -0.120 0.000 1.239 35 N CA 0.542 53.542 53.050 -0.084 0.000 0.842 35 N CB 0.592 39.044 38.487 -0.058 0.000 1.089 35 N HN 0.020 8.367 8.380 -0.055 0.000 0.454 36 L N -1.066 120.070 121.223 -0.145 0.000 2.375 36 L HA 0.139 4.304 4.340 -0.293 0.000 0.215 36 L C 1.063 177.937 176.870 0.007 0.000 1.108 36 L CA 2.392 57.133 54.840 -0.166 0.000 0.830 36 L CB 0.352 42.339 42.059 -0.121 0.000 0.959 36 L HN 0.140 8.276 8.230 -0.158 0.000 0.457 37 S N -1.408 114.280 115.700 -0.019 0.000 2.461 37 S HA -0.210 4.356 4.470 0.159 0.000 0.228 37 S C 1.227 175.868 174.600 0.068 0.000 1.005 37 S CA 2.185 60.419 58.200 0.057 0.000 0.942 37 S CB -0.462 62.735 63.200 -0.005 0.000 0.776 37 S HN 0.145 8.396 8.310 -0.098 0.000 0.514 38 R N -3.034 117.476 120.500 0.017 0.000 2.173 38 R HA 0.042 4.404 4.340 0.036 0.000 0.208 38 R C 1.283 177.594 176.300 0.018 0.000 1.035 38 R CA 1.864 57.975 56.100 0.018 0.000 1.004 38 R CB 0.090 30.386 30.300 -0.007 0.000 0.917 38 R HN -0.175 8.052 8.270 -0.020 0.031 0.462 39 D N -0.797 119.586 120.400 -0.028 0.000 2.154 39 D HA -0.061 4.553 4.640 -0.042 0.000 0.211 39 D C 1.895 178.201 176.300 0.010 0.000 0.977 39 D CA 2.444 56.399 54.000 -0.075 0.000 0.869 39 D CB 0.604 41.271 40.800 -0.222 0.000 1.022 39 D HN -0.824 7.418 8.370 -0.057 0.094 0.461 40 F N -0.634 119.340 119.950 0.039 0.000 2.106 40 F HA -0.401 4.167 4.527 0.068 0.000 0.299 40 F C 2.660 178.590 175.800 0.217 0.000 1.082 40 F CA 3.065 61.125 58.000 0.100 0.000 1.244 40 F CB -0.526 38.536 39.000 0.105 0.000 0.997 40 F HN -0.336 7.890 8.300 -0.124 0.000 0.486 41 S N -0.580 115.341 115.700 0.369 0.000 2.389 41 S HA -0.493 4.166 4.470 0.314 0.000 0.231 41 S C 2.207 177.070 174.600 0.438 0.000 1.052 41 S CA 3.484 61.877 58.200 0.320 0.000 1.053 41 S CB -0.447 62.851 63.200 0.164 0.000 0.886 41 S HN -0.254 8.224 8.310 0.296 0.009 0.456 42 D N -2.377 118.190 120.400 0.279 0.000 2.126 42 D HA -0.349 4.415 4.640 0.205 0.000 0.190 42 D C 1.449 177.874 176.300 0.208 0.000 1.001 42 D CA 2.907 57.032 54.000 0.208 0.000 0.841 42 D CB 0.024 40.871 40.800 0.078 0.000 0.949 42 D HN 0.218 8.595 8.370 0.199 0.113 0.446 43 G N -1.021 107.831 108.800 0.087 0.000 2.493 43 G HA2 -0.340 3.230 3.960 -0.650 0.000 0.206 43 G HA3 -0.340 3.087 3.960 -0.887 0.000 0.206 43 G C 1.460 176.108 174.900 -0.420 0.000 1.109 43 G CA 0.340 45.150 45.100 -0.484 0.000 0.689 43 G HN -0.217 8.098 8.290 0.170 0.077 0.516 44 V N 3.512 123.272 119.914 -0.258 0.000 2.688 44 V HA -0.481 3.460 4.120 -0.298 0.000 0.256 44 V C 0.674 176.687 176.094 -0.134 0.000 1.084 44 V CA 3.055 65.234 62.300 -0.202 0.000 1.103 44 V CB -0.216 31.550 31.823 -0.095 0.000 0.688 44 V HN -0.040 8.134 8.190 -0.176 -0.089 0.480 45 L N -1.270 119.899 121.223 -0.090 0.000 2.156 45 L HA -0.119 4.165 4.340 -0.094 0.000 0.208 45 L C 1.709 178.607 176.870 0.047 0.000 1.095 45 L CA 2.111 56.911 54.840 -0.067 0.000 0.770 45 L CB -0.550 41.408 42.059 -0.168 0.000 0.914 45 L HN -0.761 7.686 8.230 -0.076 -0.263 0.439 46 V N -0.405 119.554 119.914 0.074 0.000 2.358 46 V HA -0.493 3.798 4.120 0.284 0.000 0.246 46 V C 1.702 177.785 176.094 -0.019 0.000 1.047 46 V CA 4.328 66.675 62.300 0.078 0.000 1.035 46 V CB -0.678 31.077 31.823 -0.112 0.000 0.658 46 V HN -0.072 7.994 8.190 -0.014 0.115 0.452 47 A N -2.476 120.271 122.820 -0.122 0.000 2.019 47 A HA -0.348 3.931 4.320 -0.068 0.000 0.219 47 A C 1.834 179.423 177.584 0.007 0.000 1.164 47 A CA 3.247 55.234 52.037 -0.084 0.000 0.644 47 A CB -0.774 18.135 19.000 -0.152 0.000 0.805 47 A HN -0.482 7.545 8.150 -0.205 0.000 0.449 48 E N -1.109 119.096 120.200 0.007 0.000 2.047 48 E HA -0.261 4.113 4.350 0.040 0.000 0.191 48 E C 2.210 178.853 176.600 0.071 0.000 0.987 48 E CA 2.834 59.252 56.400 0.030 0.000 0.799 48 E CB -0.638 29.057 29.700 -0.009 0.000 0.752 48 E HN -0.319 7.891 8.360 -0.017 0.140 0.449 49 V N -0.949 119.013 119.914 0.080 0.000 2.317 49 V HA -0.475 3.681 4.120 0.061 0.000 0.251 49 V C 2.020 178.242 176.094 0.214 0.000 1.065 49 V CA 3.663 66.032 62.300 0.115 0.000 1.049 49 V CB -0.663 31.246 31.823 0.142 0.000 0.651 49 V HN -0.798 7.439 8.190 0.079 0.000 0.450 50 I N -1.847 118.814 120.570 0.151 0.000 2.202 50 I HA -0.561 3.680 4.170 0.117 0.000 0.242 50 I C 1.625 177.855 176.117 0.187 0.000 1.091 50 I CA 3.682 65.070 61.300 0.146 0.000 1.368 50 I CB -0.496 37.570 38.000 0.110 0.000 1.058 50 I HN -0.853 7.411 8.210 0.105 0.009 0.410 51 K N -0.536 119.958 120.400 0.158 0.000 2.127 51 K HA -0.397 4.133 4.320 0.130 -0.131 0.212 51 K C 0.820 177.494 176.600 0.124 0.000 1.050 51 K CA 2.866 59.233 56.287 0.133 0.000 0.929 51 K CB -0.390 32.171 32.500 0.101 0.000 0.715 51 K HN -0.644 7.611 8.250 0.131 0.074 0.457 52 F N -2.546 117.411 119.950 0.011 0.000 2.069 52 F HA -0.306 4.166 4.527 -0.092 0.000 0.298 52 F C 1.209 176.903 175.800 -0.178 0.000 1.113 52 F CA 2.652 60.596 58.000 -0.093 0.000 1.214 52 F CB 0.262 39.171 39.000 -0.151 0.000 0.978 52 F HN -0.840 7.634 8.300 0.314 0.015 0.474 53 Y N -4.243 116.012 120.300 -0.076 0.000 2.130 53 Y HA -0.236 4.095 4.550 -0.365 0.000 0.287 53 Y C 0.155 175.782 175.900 -0.454 0.000 1.124 53 Y CA 3.229 61.049 58.100 -0.466 0.000 1.118 53 Y CB 0.834 38.764 38.460 -0.883 0.000 0.994 53 Y HN -0.709 7.825 8.280 0.542 0.072 0.497 54 F N -4.485 115.597 119.950 0.220 0.000 2.552 54 F HA 0.441 5.008 4.527 0.067 0.000 0.369 54 F C -1.920 173.929 175.800 0.083 0.000 1.112 54 F CA -3.661 54.405 58.000 0.111 0.000 1.129 54 F CB -0.286 38.779 39.000 0.108 0.000 1.360 54 F HN -0.011 8.114 8.300 -0.122 0.102 0.473 55 P HA -0.161 4.360 4.420 0.107 -0.037 0.217 55 P C 0.081 177.448 177.300 0.112 0.000 1.151 55 P CA 1.609 64.775 63.100 0.110 0.000 0.828 55 P CB 0.593 32.322 31.700 0.049 0.000 0.788 56 K N -4.703 115.765 120.400 0.114 0.000 2.026 56 K HA -0.323 4.033 4.320 0.061 0.000 0.208 56 K C 1.043 177.699 176.600 0.094 0.000 1.048 56 K CA 1.948 58.284 56.287 0.082 0.000 0.929 56 K CB -0.997 31.539 32.500 0.060 0.000 0.713 56 K HN 0.138 8.467 8.250 0.130 0.000 0.439 57 M N -1.090 118.588 119.600 0.130 0.000 2.088 57 M HA -0.188 4.345 4.480 0.088 0.000 0.256 57 M C 0.793 177.173 176.300 0.135 0.000 1.071 57 M CA 1.777 57.154 55.300 0.129 0.000 1.097 57 M CB -0.369 32.342 32.600 0.184 0.000 1.315 57 M HN -0.583 7.808 8.290 0.169 0.000 0.406 58 V N -1.109 118.895 119.914 0.151 0.000 2.843 58 V HA -0.183 4.036 4.120 0.166 0.000 0.305 58 V C 0.067 176.237 176.094 0.127 0.000 1.065 58 V CA 0.760 63.148 62.300 0.146 0.000 1.116 58 V CB 0.299 32.202 31.823 0.132 0.000 0.968 58 V HN -0.620 7.672 8.190 0.171 0.000 0.487 59 E N 2.165 122.456 120.200 0.151 0.000 2.354 59 E HA 0.094 4.496 4.350 0.087 0.000 0.203 59 E C -0.179 176.504 176.600 0.139 0.000 0.841 59 E CA -0.065 56.407 56.400 0.120 0.000 1.046 59 E CB 1.031 30.792 29.700 0.100 0.000 1.040 59 E HN 0.081 8.563 8.360 0.204 0.000 0.504 60 M N -0.817 118.896 119.600 0.189 0.000 2.206 60 M HA -0.223 4.408 4.480 0.252 0.000 0.197 60 M C -0.650 175.742 176.300 0.152 0.000 0.375 60 M CA 0.715 56.123 55.300 0.179 0.000 0.410 60 M CB -1.413 31.260 32.600 0.123 0.000 1.204 60 M HN -0.288 8.154 8.290 0.255 0.000 0.932 61 H N -1.833 117.230 119.070 -0.011 0.000 3.067 61 H HA 0.129 4.672 4.556 -0.022 0.000 0.241 61 H C -0.236 175.031 175.328 -0.101 0.000 0.961 61 H CA 0.563 56.584 56.048 -0.046 0.000 1.123 61 H CB 1.464 31.200 29.762 -0.045 0.000 1.448 61 H HN -0.076 8.260 8.280 0.097 0.002 0.457 62 N N -0.395 118.114 118.700 -0.318 0.000 2.333 62 N HA -0.078 4.378 4.740 -0.473 0.000 0.183 62 N C -0.661 174.631 175.510 -0.363 0.000 1.030 62 N CA 0.605 53.383 53.050 -0.453 0.000 0.867 62 N CB 0.040 38.204 38.487 -0.539 0.000 1.027 62 N HN -0.007 8.228 8.380 -0.241 0.000 0.435 63 Y N -0.173 120.062 120.300 -0.109 0.000 2.712 63 Y HA -0.216 4.260 4.550 -0.123 0.000 0.333 63 Y C -0.649 175.197 175.900 -0.090 0.000 1.225 63 Y CA 0.725 58.763 58.100 -0.103 0.000 1.499 63 Y CB 0.316 38.724 38.460 -0.086 0.000 1.288 63 Y HN -0.443 7.426 8.280 -0.685 0.000 0.575 64 V N 3.648 123.606 119.914 0.074 0.000 2.638 64 V HA 0.304 4.435 4.120 0.018 0.000 0.306 64 V C -1.941 174.167 176.094 0.023 0.000 1.052 64 V CA -3.425 58.887 62.300 0.021 0.000 0.885 64 V CB 3.162 34.975 31.823 -0.017 0.000 0.999 64 V HN 0.009 8.254 8.190 0.092 0.000 0.424 65 P HA 0.068 4.492 4.420 0.007 0.000 0.271 65 P C -1.536 175.770 177.300 0.010 0.000 1.233 65 P CA -0.118 62.987 63.100 0.007 0.000 0.764 65 P CB 0.022 31.720 31.700 -0.002 0.000 0.825 66 A N 4.493 127.325 122.820 0.020 0.000 2.483 66 A HA 0.256 4.585 4.320 0.014 0.000 0.286 66 A C -1.953 175.648 177.584 0.027 0.000 1.207 66 A CA -0.562 51.488 52.037 0.021 0.000 0.764 66 A CB 2.206 21.221 19.000 0.026 0.000 1.341 66 A HN 0.092 8.257 8.150 0.026 0.000 0.428 67 N N -2.786 115.928 118.700 0.025 0.000 2.497 67 N HA 0.101 4.860 4.740 0.031 0.000 0.284 67 N C -1.396 174.132 175.510 0.029 0.000 1.459 67 N CA -0.033 53.032 53.050 0.026 0.000 0.899 67 N CB 0.250 38.747 38.487 0.016 0.000 1.316 67 N HN 0.035 8.427 8.380 0.021 0.000 0.500 68 S N 0.135 115.857 115.700 0.037 0.000 2.614 68 S HA 0.178 4.667 4.470 0.032 0.000 0.288 68 S C 0.168 174.798 174.600 0.051 0.000 1.137 68 S CA -0.974 57.249 58.200 0.037 0.000 0.992 68 S CB 2.075 65.293 63.200 0.031 0.000 1.026 68 S HN -0.913 7.363 8.310 0.043 0.060 0.486 69 L N 8.742 129.993 121.223 0.047 0.000 2.021 69 L HA -0.320 4.060 4.340 0.067 0.000 0.215 69 L C 0.758 177.667 176.870 0.065 0.000 1.074 69 L CA 3.387 58.261 54.840 0.055 0.000 0.760 69 L CB 0.035 42.116 42.059 0.038 0.000 0.889 69 L HN 0.693 8.946 8.230 0.038 0.000 0.433 70 Q N -2.487 117.344 119.800 0.052 0.000 2.047 70 Q HA -0.538 3.834 4.340 0.054 0.000 0.211 70 Q C 2.234 178.276 176.000 0.071 0.000 1.005 70 Q CA 3.347 59.183 55.803 0.055 0.000 0.866 70 Q CB -0.677 28.086 28.738 0.041 0.000 0.938 70 Q HN 0.276 8.571 8.270 0.043 -0.000 0.414 71 Q N -1.807 118.033 119.800 0.066 0.000 2.079 71 Q HA -0.284 4.096 4.340 0.067 0.000 0.200 71 Q C 2.614 178.681 176.000 0.112 0.000 0.974 71 Q CA 2.401 58.248 55.803 0.073 0.000 0.840 71 Q CB -0.555 28.215 28.738 0.052 0.000 0.898 71 Q HN -0.493 7.811 8.270 0.056 0.000 0.430 72 K N 0.325 120.801 120.400 0.127 0.000 2.015 72 K HA -0.323 4.119 4.320 0.203 0.000 0.220 72 K C 2.655 179.435 176.600 0.300 0.000 1.055 72 K CA 3.230 59.640 56.287 0.206 0.000 0.951 72 K CB -0.506 32.106 32.500 0.186 0.000 0.725 72 K HN -0.011 8.244 8.250 0.101 0.056 0.449 73 L N -1.321 120.034 121.223 0.220 0.000 2.012 73 L HA -0.472 4.028 4.340 0.267 0.000 0.210 73 L C 1.851 178.869 176.870 0.246 0.000 1.073 73 L CA 3.655 58.627 54.840 0.220 0.000 0.748 73 L CB -0.440 41.691 42.059 0.119 0.000 0.891 73 L HN 0.210 8.533 8.230 0.155 0.000 0.431 74 S N -1.535 114.277 115.700 0.186 0.000 2.387 74 S HA -0.411 4.179 4.470 0.200 0.000 0.230 74 S C 2.289 177.024 174.600 0.226 0.000 1.035 74 S CA 3.636 61.947 58.200 0.185 0.000 1.014 74 S CB -0.372 62.899 63.200 0.119 0.000 0.836 74 S HN -0.316 8.085 8.310 0.152 0.000 0.466 75 N N 1.547 120.368 118.700 0.202 0.000 2.135 75 N HA -0.159 4.710 4.740 0.214 0.000 0.186 75 N C 2.141 177.746 175.510 0.159 0.000 1.027 75 N CA 2.707 55.859 53.050 0.170 0.000 0.849 75 N CB -0.292 38.230 38.487 0.060 0.000 1.002 75 N HN -0.026 8.347 8.380 0.195 0.124 0.425 76 W N 0.162 121.514 121.300 0.087 0.000 2.335 76 W HA -0.324 4.348 4.660 0.021 0.000 0.311 76 W C 1.996 178.584 176.519 0.116 0.000 1.213 76 W CA 4.190 61.575 57.345 0.067 0.000 1.274 76 W CB -0.121 29.372 29.460 0.053 0.000 1.148 76 W HN 0.054 8.482 8.180 0.412 0.000 0.498 77 G N -2.823 106.205 108.800 0.381 0.000 2.574 77 G HA2 -0.508 3.591 3.960 0.232 0.000 0.220 77 G HA3 -0.508 3.598 3.960 0.244 0.000 0.220 77 G C 1.245 176.289 174.900 0.240 0.000 1.173 77 G CA 2.530 47.792 45.100 0.270 0.000 0.772 77 G HN 0.327 8.847 8.290 0.385 0.000 0.585 78 H N 1.701 120.888 119.070 0.195 0.000 2.321 78 H HA -0.181 4.471 4.556 0.160 0.000 0.300 78 H C 2.752 178.211 175.328 0.218 0.000 1.087 78 H CA 2.665 58.840 56.048 0.211 0.000 1.319 78 H CB 0.081 30.010 29.762 0.278 0.000 1.379 78 H HN -0.774 7.815 8.280 0.515 0.000 0.501 79 L N -0.268 121.129 121.223 0.290 0.000 2.351 79 L HA -0.283 4.141 4.340 0.140 0.000 0.220 79 L C 0.838 177.785 176.870 0.127 0.000 1.127 79 L CA 2.243 57.128 54.840 0.074 0.000 0.786 79 L CB -0.102 41.783 42.059 -0.291 0.000 0.914 79 L HN -0.076 8.326 8.230 0.286 0.000 0.443 80 N N -2.211 116.600 118.700 0.185 0.000 2.376 80 N HA -0.147 4.720 4.740 0.213 0.000 0.177 80 N C 1.442 177.034 175.510 0.136 0.000 1.024 80 N CA 2.785 55.948 53.050 0.187 0.000 0.893 80 N CB 0.383 38.990 38.487 0.199 0.000 0.980 80 N HN -0.255 8.053 8.380 0.210 0.198 0.439 81 R N -3.105 117.460 120.500 0.107 0.000 2.437 81 R HA 0.116 4.497 4.340 0.069 0.000 0.257 81 R C -0.124 176.226 176.300 0.084 0.000 0.927 81 R CA 0.595 56.734 56.100 0.066 0.000 1.078 81 R CB 0.655 30.957 30.300 0.003 0.000 1.161 81 R HN 0.035 8.249 8.270 0.120 0.128 0.529 82 K N -3.397 117.084 120.400 0.135 0.000 2.424 82 K HA 0.097 4.491 4.320 0.123 0.000 0.198 82 K C -0.284 176.404 176.600 0.147 0.000 1.190 82 K CA 0.752 57.135 56.287 0.160 0.000 0.935 82 K CB 1.613 34.274 32.500 0.267 0.000 1.087 82 K HN -0.134 8.035 8.250 0.154 0.173 0.524 83 V N -0.666 119.329 119.914 0.135 0.000 2.939 83 V HA -0.001 4.187 4.120 0.112 0.000 0.228 83 V C 1.242 177.401 176.094 0.108 0.000 1.162 83 V CA 1.162 63.525 62.300 0.106 0.000 1.222 83 V CB 1.364 33.220 31.823 0.055 0.000 1.053 83 V HN -0.489 7.670 8.190 0.140 0.115 0.504 84 L N -0.760 120.539 121.223 0.126 0.000 1.991 84 L HA -0.538 3.903 4.340 0.168 0.000 0.221 84 L C 2.131 179.109 176.870 0.179 0.000 1.079 84 L CA 3.717 58.670 54.840 0.190 0.000 0.778 84 L CB -0.928 41.300 42.059 0.282 0.000 0.893 84 L HN 0.040 8.341 8.230 0.118 0.000 0.437 85 K N -1.303 119.180 120.400 0.139 0.000 2.049 85 K HA -0.477 3.901 4.320 0.097 0.000 0.219 85 K C 2.567 179.221 176.600 0.089 0.000 1.056 85 K CA 3.483 59.831 56.287 0.101 0.000 0.946 85 K CB -0.349 32.196 32.500 0.076 0.000 0.723 85 K HN -0.565 7.767 8.250 0.136 0.000 0.453 86 R N -2.941 117.608 120.500 0.081 0.000 2.117 86 R HA -0.248 4.118 4.340 0.043 0.000 0.243 86 R C 1.749 178.088 176.300 0.066 0.000 1.143 86 R CA 2.315 58.450 56.100 0.060 0.000 0.968 86 R CB -0.566 29.767 30.300 0.054 0.000 0.863 86 R HN -0.426 7.896 8.270 0.087 0.000 0.444 87 L N -2.934 118.350 121.223 0.101 0.000 2.737 87 L HA 0.108 4.500 4.340 0.087 0.000 0.236 87 L C -1.147 175.820 176.870 0.161 0.000 1.219 87 L CA -0.805 54.105 54.840 0.118 0.000 1.021 87 L CB -1.308 40.819 42.059 0.113 0.000 1.291 87 L HN -0.215 7.950 8.230 0.115 0.134 0.470 88 N N -2.287 116.486 118.700 0.120 0.000 2.666 88 N HA -0.470 4.362 4.740 0.071 -0.049 0.248 88 N C -1.438 174.154 175.510 0.137 0.000 1.118 88 N CA 1.653 54.762 53.050 0.099 0.000 0.722 88 N CB -0.758 37.770 38.487 0.068 0.000 1.050 88 N HN -0.237 8.011 8.380 0.093 0.188 0.550 89 F N 0.160 120.126 119.950 0.026 0.000 2.408 89 F HA 0.090 4.629 4.527 0.020 0.000 0.344 89 F C -1.806 174.014 175.800 0.034 0.000 1.112 89 F CA 0.284 58.301 58.000 0.028 0.000 1.096 89 F CB 1.830 40.852 39.000 0.036 0.000 1.129 89 F HN -0.559 7.856 8.300 0.284 0.055 0.486 90 S N 4.079 119.551 115.700 -0.381 0.000 2.542 90 S HA 0.236 4.693 4.470 -0.022 0.000 0.293 90 S C -1.860 172.572 174.600 -0.280 0.000 1.089 90 S CA -1.006 57.077 58.200 -0.195 0.000 0.961 90 S CB 2.722 65.837 63.200 -0.142 0.000 1.062 90 S HN 0.157 7.985 8.310 -0.802 0.000 0.483 91 V N 3.235 123.105 119.914 -0.074 0.000 2.891 91 V HA 0.249 4.304 4.120 -0.108 0.000 0.304 91 V C -2.293 173.795 176.094 -0.010 0.000 1.171 91 V CA -3.204 59.071 62.300 -0.042 0.000 0.943 91 V CB 2.365 34.232 31.823 0.074 0.000 1.037 91 V HN -0.039 8.147 8.190 -0.007 0.000 0.427 92 P HA 0.231 4.642 4.420 -0.015 0.000 0.272 92 P C 0.222 177.515 177.300 -0.012 0.000 1.240 92 P CA -0.787 62.302 63.100 -0.019 0.000 0.791 92 P CB 0.980 32.663 31.700 -0.029 0.000 0.978 93 D N -0.106 120.290 120.400 -0.006 0.000 2.117 93 D HA -0.383 4.258 4.640 0.002 0.000 0.198 93 D C 1.340 177.625 176.300 -0.026 0.000 0.982 93 D CA 3.668 57.665 54.000 -0.006 0.000 0.828 93 D CB -0.803 39.999 40.800 0.004 0.000 0.967 93 D HN 0.330 8.696 8.370 -0.005 0.000 0.464 94 D N -0.023 120.362 120.400 -0.025 0.000 2.149 94 D HA -0.256 4.366 4.640 -0.029 0.000 0.194 94 D C 2.430 178.700 176.300 -0.049 0.000 1.001 94 D CA 2.931 56.912 54.000 -0.032 0.000 0.849 94 D CB -0.804 39.980 40.800 -0.026 0.000 0.939 94 D HN 0.482 8.841 8.370 -0.020 0.000 0.449 95 V N -0.426 119.456 119.914 -0.053 0.000 2.358 95 V HA -0.334 3.745 4.120 -0.068 0.000 0.246 95 V C 1.941 177.957 176.094 -0.130 0.000 1.047 95 V CA 3.216 65.472 62.300 -0.073 0.000 1.035 95 V CB -0.320 31.471 31.823 -0.054 0.000 0.658 95 V HN -0.811 7.344 8.190 -0.042 0.009 0.452 96 M N -0.561 118.959 119.600 -0.133 0.000 2.067 96 M HA -0.517 3.732 4.480 -0.384 0.000 0.260 96 M C 2.046 178.206 176.300 -0.233 0.000 1.069 96 M CA 4.465 59.625 55.300 -0.233 0.000 1.117 96 M CB -0.476 32.054 32.600 -0.118 0.000 1.334 96 M HN -0.728 7.431 8.290 -0.082 0.082 0.407 97 R N -1.969 118.457 120.500 -0.124 0.000 2.134 97 R HA -0.450 3.844 4.340 -0.077 0.000 0.248 97 R C 2.223 178.456 176.300 -0.111 0.000 1.143 97 R CA 4.027 60.072 56.100 -0.091 0.000 0.957 97 R CB -0.450 29.820 30.300 -0.051 0.000 0.867 97 R HN 0.117 8.334 8.270 -0.088 0.000 0.441 98 K N -1.989 118.341 120.400 -0.117 0.000 2.057 98 K HA -0.264 4.012 4.320 -0.074 0.000 0.206 98 K C 2.354 178.865 176.600 -0.148 0.000 1.050 98 K CA 2.998 59.222 56.287 -0.104 0.000 0.935 98 K CB -0.647 31.802 32.500 -0.084 0.000 0.715 98 K HN -0.510 7.667 8.250 -0.112 0.005 0.439 99 I N -0.738 119.678 120.570 -0.257 0.000 2.091 99 I HA -0.512 3.509 4.170 -0.248 0.000 0.239 99 I C 2.087 178.024 176.117 -0.299 0.000 1.061 99 I CA 3.393 64.469 61.300 -0.373 0.000 1.317 99 I CB -0.316 37.200 38.000 -0.806 0.000 1.031 99 I HN -0.907 7.060 8.210 -0.273 0.079 0.401 100 A N -2.487 120.122 122.820 -0.352 0.000 2.024 100 A HA -0.272 4.181 4.320 -0.034 -0.153 0.220 100 A C 1.680 179.245 177.584 -0.032 0.000 1.164 100 A CA 2.513 54.474 52.037 -0.128 0.000 0.643 100 A CB -0.288 18.670 19.000 -0.070 0.000 0.806 100 A HN -0.305 7.574 8.150 -0.453 0.000 0.451 101 Q N -3.316 116.449 119.800 -0.058 0.000 2.239 101 Q HA -0.075 4.263 4.340 -0.004 0.000 0.219 101 Q C -0.453 175.540 176.000 -0.011 0.000 0.901 101 Q CA -0.761 55.029 55.803 -0.023 0.000 0.949 101 Q CB -1.247 27.473 28.738 -0.030 0.000 1.038 101 Q HN -0.672 7.382 8.270 -0.103 0.155 0.458 102 C N -0.495 118.805 119.300 -0.001 0.000 3.744 102 C HA -0.438 4.084 4.460 0.038 -0.039 0.290 102 C C -1.048 173.947 174.990 0.009 0.000 1.385 102 C CA 0.813 59.843 59.018 0.021 0.000 2.099 102 C CB -2.441 25.318 27.740 0.033 0.000 1.359 102 C HN -0.196 7.905 8.230 -0.003 0.127 0.629 103 A N 2.954 125.767 122.820 -0.012 0.000 2.320 103 A HA 0.282 4.601 4.320 -0.001 0.000 0.287 103 A C -2.583 175.006 177.584 0.009 0.000 1.181 103 A CA -1.814 50.218 52.037 -0.009 0.000 0.831 103 A CB 1.008 19.990 19.000 -0.030 0.000 1.102 103 A HN -0.532 7.598 8.150 -0.034 0.000 0.513 104 P HA 0.036 4.494 4.420 0.064 0.000 0.271 104 P C 0.973 178.302 177.300 0.047 0.000 1.226 104 P CA 0.382 63.511 63.100 0.048 0.000 0.765 104 P CB 0.154 31.884 31.700 0.049 0.000 0.835 105 G N 5.143 113.985 108.800 0.071 0.000 2.383 105 G HA2 -0.387 3.623 3.960 0.082 0.000 0.229 105 G HA3 -0.387 3.599 3.960 0.042 0.000 0.229 105 G C 0.615 175.531 174.900 0.028 0.000 1.089 105 G CA 0.496 45.630 45.100 0.057 0.000 0.640 105 G HN 0.439 8.788 8.290 0.098 0.000 0.510 106 V N 3.176 123.093 119.914 0.006 0.000 2.214 106 V HA -0.387 3.721 4.120 -0.019 0.000 0.245 106 V C 1.689 177.762 176.094 -0.034 0.000 1.047 106 V CA 3.461 65.746 62.300 -0.023 0.000 0.998 106 V CB -0.157 31.635 31.823 -0.050 0.000 0.633 106 V HN -0.885 7.204 8.190 0.008 0.106 0.446 107 V N -0.457 119.429 119.914 -0.047 0.000 2.469 107 V HA -0.455 3.599 4.120 -0.110 0.000 0.251 107 V C 1.038 177.116 176.094 -0.028 0.000 1.064 107 V CA 3.287 65.553 62.300 -0.058 0.000 1.066 107 V CB -0.324 31.486 31.823 -0.022 0.000 0.667 107 V HN -0.654 7.512 8.190 -0.040 0.000 0.461 108 E N -0.148 120.059 120.200 0.012 0.000 2.110 108 E HA -0.312 4.043 4.350 0.009 0.000 0.193 108 E C 2.033 178.641 176.600 0.013 0.000 0.988 108 E CA 2.950 59.373 56.400 0.038 0.000 0.804 108 E CB -0.554 29.225 29.700 0.131 0.000 0.745 108 E HN -0.023 8.257 8.360 0.030 0.097 0.458 109 L N -1.912 119.319 121.223 0.015 0.000 2.447 109 L HA -0.255 4.093 4.340 0.013 0.000 0.225 109 L C 1.467 178.358 176.870 0.035 0.000 1.148 109 L CA 2.479 57.330 54.840 0.019 0.000 0.808 109 L CB -0.113 41.957 42.059 0.019 0.000 0.928 109 L HN -0.125 8.002 8.230 0.015 0.112 0.448 110 V N -2.783 117.142 119.914 0.017 0.000 3.431 110 V HA -0.064 4.121 4.120 0.109 0.000 0.253 110 V C 0.882 176.908 176.094 -0.114 0.000 1.184 110 V CA 1.543 63.853 62.300 0.017 0.000 1.104 110 V CB 0.478 32.338 31.823 0.062 0.000 0.799 110 V HN -0.512 7.477 8.190 -0.003 0.199 0.462 111 L N 0.725 121.880 121.223 -0.114 0.000 2.056 111 L HA -0.375 3.852 4.340 -0.190 0.000 0.207 111 L C 1.843 178.592 176.870 -0.203 0.000 1.078 111 L CA 3.449 58.191 54.840 -0.164 0.000 0.749 111 L CB -0.432 41.530 42.059 -0.161 0.000 0.901 111 L HN -0.872 7.187 8.230 -0.077 0.126 0.433 112 I N -1.122 119.357 120.570 -0.151 0.000 2.099 112 I HA -0.432 3.580 4.170 -0.263 0.000 0.239 112 I C -0.714 175.273 176.117 -0.216 0.000 1.066 112 I CA 6.347 67.533 61.300 -0.189 0.000 1.324 112 I CB -2.537 35.401 38.000 -0.103 0.000 1.037 112 I HN -0.340 7.816 8.210 -0.090 0.000 0.401 113 P HA -0.113 4.258 4.420 -0.082 0.000 0.219 113 P C 1.367 178.536 177.300 -0.218 0.000 1.150 113 P CA 2.583 65.623 63.100 -0.099 0.000 0.814 113 P CB -0.449 31.295 31.700 0.073 0.000 0.787 114 L N 0.039 121.063 121.223 -0.332 0.000 1.990 114 L HA -0.416 3.598 4.340 -0.545 0.000 0.213 114 L C 1.692 178.385 176.870 -0.296 0.000 1.072 114 L CA 3.572 58.178 54.840 -0.391 0.000 0.755 114 L CB -0.245 41.619 42.059 -0.324 0.000 0.889 114 L HN -0.114 7.847 8.230 -0.291 0.095 0.432 115 R N -2.323 117.967 120.500 -0.350 0.000 2.081 115 R HA -0.412 3.726 4.340 -0.337 0.000 0.235 115 R C 2.184 178.300 176.300 -0.306 0.000 1.131 115 R CA 3.065 58.917 56.100 -0.413 0.000 0.960 115 R CB -0.733 29.059 30.300 -0.847 0.000 0.856 115 R HN -0.566 7.468 8.270 -0.394 0.000 0.436 116 Q N -2.264 117.381 119.800 -0.258 0.000 2.135 116 Q HA -0.328 3.924 4.340 -0.147 0.000 0.204 116 Q C 2.897 178.845 176.000 -0.086 0.000 0.981 116 Q CA 3.103 58.815 55.803 -0.151 0.000 0.856 116 Q CB -0.356 28.315 28.738 -0.113 0.000 0.902 116 Q HN -0.660 7.436 8.270 -0.291 0.000 0.425 117 R N -1.182 119.264 120.500 -0.090 0.000 2.061 117 R HA -0.234 4.115 4.340 0.016 0.000 0.230 117 R C 2.479 178.784 176.300 0.008 0.000 1.140 117 R CA 2.164 58.251 56.100 -0.022 0.000 0.940 117 R CB -0.122 30.162 30.300 -0.027 0.000 0.839 117 R HN -0.303 7.770 8.270 -0.141 0.112 0.429 118 L N -1.269 119.925 121.223 -0.048 0.000 2.030 118 L HA -0.500 3.989 4.340 0.249 0.000 0.222 118 L C 2.294 179.237 176.870 0.123 0.000 1.082 118 L CA 3.239 58.082 54.840 0.006 0.000 0.785 118 L CB -0.688 41.118 42.059 -0.421 0.000 0.895 118 L HN -0.313 7.842 8.230 -0.127 0.000 0.439 119 E N -3.103 117.103 120.200 0.010 0.000 2.130 119 E HA -0.467 3.996 4.350 0.188 0.000 0.196 119 E C 2.200 178.881 176.600 0.135 0.000 0.998 119 E CA 2.978 59.443 56.400 0.108 0.000 0.806 119 E CB -0.521 29.213 29.700 0.058 0.000 0.738 119 E HN -0.474 7.833 8.360 -0.097 -0.005 0.459 120 E N -1.410 118.844 120.200 0.090 0.000 2.171 120 E HA -0.429 3.959 4.350 0.064 0.000 0.197 120 E C 2.366 179.022 176.600 0.092 0.000 0.997 120 E CA 2.990 59.436 56.400 0.077 0.000 0.810 120 E CB -0.262 29.472 29.700 0.056 0.000 0.738 120 E HN 0.009 8.288 8.360 0.058 0.116 0.467 121 R N -2.649 117.936 120.500 0.141 0.000 2.093 121 R HA -0.187 4.159 4.340 0.011 0.000 0.224 121 R C 1.526 177.896 176.300 0.117 0.000 1.101 121 R CA 2.199 58.343 56.100 0.074 0.000 0.979 121 R CB -0.482 29.794 30.300 -0.039 0.000 0.877 121 R HN -0.394 7.854 8.270 0.196 0.140 0.441 122 Q N -0.823 119.154 119.800 0.295 0.000 2.014 122 Q HA -0.277 4.265 4.340 0.337 0.000 0.207 122 Q C 1.648 177.737 176.000 0.148 0.000 0.993 122 Q CA 2.640 58.615 55.803 0.286 0.000 0.850 122 Q CB -0.245 28.684 28.738 0.318 0.000 0.916 122 Q HN -0.700 7.695 8.270 0.374 0.099 0.417 123 R N -4.201 116.370 120.500 0.118 0.000 2.083 123 R HA -0.240 4.145 4.340 0.075 0.000 0.237 123 R C 0.995 177.326 176.300 0.052 0.000 1.137 123 R CA 1.448 57.594 56.100 0.076 0.000 0.951 123 R CB -0.344 29.994 30.300 0.064 0.000 0.851 123 R HN -0.649 7.700 8.270 0.132 0.000 0.434 124 R N 0.448 120.973 120.500 0.043 0.000 2.481 124 R HA -0.227 4.123 4.340 0.018 0.000 0.291 124 R C 0.406 176.712 176.300 0.011 0.000 0.934 124 R CA 1.070 57.181 56.100 0.018 0.000 1.116 124 R CB 0.205 30.506 30.300 0.002 0.000 0.895 124 R HN -0.628 7.674 8.270 0.054 0.000 0.410 125 R N 4.637 125.142 120.500 0.008 0.000 3.268 125 R HA -0.084 4.262 4.340 0.010 0.000 0.217 125 R C -0.325 175.972 176.300 -0.006 0.000 1.568 125 R CA -0.552 55.551 56.100 0.005 0.000 1.322 125 R CB -1.536 28.768 30.300 0.007 0.000 1.280 125 R HN 0.311 8.586 8.270 0.009 0.000 0.667 126 K N 2.380 122.770 120.400 -0.016 0.000 2.276 126 K HA 0.030 4.335 4.320 -0.025 0.000 0.283 126 K C -0.283 176.306 176.600 -0.019 0.000 1.044 126 K CA -0.391 55.880 56.287 -0.027 0.000 0.944 126 K CB 0.565 33.032 32.500 -0.055 0.000 1.012 126 K HN -0.295 7.908 8.250 -0.015 0.039 0.472 127 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 127 Q HA 0.000 4.334 4.340 -0.010 0.000 0.214 127 Q CA 0.000 55.796 55.803 -0.012 0.000 1.022 127 Q CB 0.000 28.733 28.738 -0.007 0.000 1.108 127 Q HN 0.000 8.259 8.270 -0.018 0.000 0.481