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 1q4j_1_A DATA FIRST_RESID 3 DATA SEQUENCE DNIVLYYFDA RGKAELIRLI FAYLGIEYTD KRFGVNGDAF VEFKNFKKEK DATA SEQUENCE DTPFEQVPIL QIGDLILAQS QAIVRYLSKK YNICGESELN EFYADMIFCG DATA SEQUENCE VQDIHYKFNN TNLFKQNETT FLNEDLPKWS GYFEKLLKKN HTNNNNDKYY DATA SEQUENCE FVGNNLTYAD LAVFNLYDDI ETKYPSSLKN FPLLKAHNEF ISNLPNIKNY DATA SEQUENCE ITNRKESVY 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 3 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 3 D C 0.000 176.311 176.300 0.018 0.000 2.045 3 D CA 0.000 54.017 54.000 0.028 0.000 0.868 3 D CB 0.000 40.823 40.800 0.038 0.000 0.688 4 N N 0.924 119.634 118.700 0.017 0.000 2.468 4 N HA 0.281 4.492 4.740 -0.881 0.000 0.265 4 N C -0.056 175.464 175.510 0.017 0.000 1.199 4 N CA -0.078 52.976 53.050 0.007 0.000 0.928 4 N CB 0.704 39.197 38.487 0.010 0.000 1.059 4 N HN 0.254 8.634 8.380 -0.000 0.000 0.467 5 I N 2.441 123.005 120.570 -0.010 0.000 2.325 5 I HA 0.190 3.831 4.170 -0.881 0.000 0.291 5 I C -0.408 175.713 176.117 0.008 0.000 1.019 5 I CA -1.040 60.254 61.300 -0.009 0.000 1.302 5 I CB 1.234 39.159 38.000 -0.126 0.000 1.401 5 I HN 0.386 8.596 8.210 -0.000 0.000 0.485 6 V N 7.220 127.141 119.914 0.013 0.000 2.487 6 V HA 0.360 3.952 4.120 -0.881 0.000 0.298 6 V C -0.424 175.588 176.094 -0.135 0.000 1.028 6 V CA -0.708 61.520 62.300 -0.122 0.000 0.860 6 V CB 2.087 33.739 31.823 -0.286 0.000 0.991 6 V HN 0.420 8.610 8.190 -0.000 0.000 0.427 7 L N 5.852 127.018 121.223 -0.096 0.000 2.282 7 L HA 0.627 4.438 4.340 -0.881 0.000 0.288 7 L C -1.297 175.406 176.870 -0.279 0.000 1.033 7 L CA -0.063 54.760 54.840 -0.029 0.000 0.807 7 L CB 0.944 43.096 42.059 0.155 0.000 1.209 7 L HN 0.563 8.793 8.230 -0.000 0.000 0.423 8 Y N 5.758 126.005 120.300 -0.088 0.000 2.328 8 Y HA 0.577 4.598 4.550 -0.883 0.000 0.336 8 Y C -0.650 175.042 175.900 -0.347 0.000 0.960 8 Y CA -0.225 57.641 58.100 -0.390 0.000 1.134 8 Y CB 1.464 39.655 38.460 -0.449 0.000 1.166 8 Y HN 0.651 8.931 8.280 -0.000 0.000 0.464 9 Y N 1.422 121.333 120.300 -0.648 0.000 2.764 9 Y HA 0.475 4.492 4.550 -0.888 0.000 0.331 9 Y C -1.219 174.286 175.900 -0.658 0.000 1.280 9 Y CA -1.912 55.862 58.100 -0.543 0.000 1.065 9 Y CB 1.273 39.602 38.460 -0.219 0.000 1.319 9 Y HN 0.436 8.716 8.280 -0.000 0.000 0.453 10 F N 1.309 120.741 119.950 -0.864 0.000 2.435 10 F HA 0.104 4.099 4.527 -0.887 0.000 0.316 10 F C 0.675 176.287 175.800 -0.314 0.000 1.220 10 F CA -0.010 57.684 58.000 -0.510 0.000 1.241 10 F CB 0.283 38.958 39.000 -0.541 0.000 1.234 10 F HN 0.428 8.728 8.300 -0.000 0.000 0.569 11 D N 1.294 121.727 120.400 0.054 0.000 2.597 11 D HA 0.426 4.538 4.640 -0.881 0.000 0.228 11 D C -0.676 175.582 176.300 -0.069 0.000 1.120 11 D CA 0.394 54.397 54.000 0.005 0.000 1.083 11 D CB -0.553 40.266 40.800 0.033 0.000 1.116 11 D HN 0.651 9.021 8.370 -0.000 0.000 0.487 12 A N 2.551 125.331 122.820 -0.067 0.000 2.566 12 A HA 0.460 4.251 4.320 -0.881 0.000 0.290 12 A C 0.680 178.252 177.584 -0.020 0.000 1.071 12 A CA -0.765 51.122 52.037 -0.250 0.000 0.658 12 A CB 0.980 19.472 19.000 -0.848 0.000 1.285 12 A HN 0.257 8.407 8.150 -0.000 0.000 0.427 13 R N 0.269 120.699 120.500 -0.117 0.000 2.052 13 R HA 0.263 4.075 4.340 -0.881 0.000 0.224 13 R C 1.891 178.234 176.300 0.072 0.000 1.165 13 R CA 1.196 57.307 56.100 0.019 0.000 0.939 13 R CB -0.730 29.588 30.300 0.029 0.000 0.834 13 R HN 1.549 9.819 8.270 -0.000 0.000 0.435 14 G N 2.176 111.038 108.800 0.104 0.000 2.685 14 G HA2 -0.385 3.046 3.960 -0.881 0.000 0.357 14 G HA3 -0.385 3.046 3.960 -0.881 0.000 0.357 14 G C 0.718 175.630 174.900 0.019 0.000 1.272 14 G CA 1.052 46.296 45.100 0.241 0.000 0.972 14 G HN 0.279 8.569 8.290 -0.000 0.000 0.550 15 K N 1.174 121.536 120.400 -0.063 0.000 2.432 15 K HA 0.258 4.050 4.320 -0.881 0.000 0.196 15 K C 2.544 178.870 176.600 -0.457 0.000 1.038 15 K CA 1.236 57.380 56.287 -0.239 0.000 0.986 15 K CB -0.097 32.329 32.500 -0.124 0.000 0.782 15 K HN 0.558 8.808 8.250 -0.000 0.000 0.485 16 A N 0.439 122.819 122.820 -0.734 0.000 2.169 16 A HA -0.014 3.778 4.320 -0.881 0.000 0.210 16 A C 1.954 179.393 177.584 -0.241 0.000 1.168 16 A CA 0.427 52.140 52.037 -0.540 0.000 0.813 16 A CB 0.066 18.663 19.000 -0.671 0.000 0.861 16 A HN 0.104 8.254 8.150 -0.000 0.000 0.481 17 E N 0.129 120.250 120.200 -0.133 0.000 2.077 17 E HA -0.175 3.646 4.350 -0.881 0.000 0.193 17 E C 1.752 178.328 176.600 -0.040 0.000 0.989 17 E CA 1.188 57.581 56.400 -0.012 0.000 0.800 17 E CB -0.343 29.397 29.700 0.067 0.000 0.746 17 E HN 0.411 8.771 8.360 -0.000 0.000 0.452 18 L N 0.433 121.626 121.223 -0.051 0.000 2.042 18 L HA -0.107 3.704 4.340 -0.881 0.000 0.210 18 L C 2.080 178.827 176.870 -0.206 0.000 1.076 18 L CA 1.649 56.444 54.840 -0.075 0.000 0.749 18 L CB -0.593 41.439 42.059 -0.045 0.000 0.893 18 L HN 0.258 8.488 8.230 -0.000 0.000 0.432 19 I N -0.718 119.686 120.570 -0.276 0.000 2.208 19 I HA -0.325 3.316 4.170 -0.881 0.000 0.245 19 I C 2.603 178.347 176.117 -0.621 0.000 1.097 19 I CA 1.337 62.344 61.300 -0.488 0.000 1.363 19 I CB -0.343 37.373 38.000 -0.473 0.000 1.051 19 I HN 0.254 8.464 8.210 -0.000 0.000 0.413 20 R N 0.371 120.648 120.500 -0.372 0.000 2.115 20 R HA -0.085 3.726 4.340 -0.881 0.000 0.230 20 R C 2.299 178.338 176.300 -0.434 0.000 1.111 20 R CA 1.098 57.026 56.100 -0.288 0.000 0.976 20 R CB -0.278 29.988 30.300 -0.056 0.000 0.870 20 R HN 0.347 8.617 8.270 -0.000 0.000 0.445 21 L N 0.278 121.287 121.223 -0.356 0.000 2.056 21 L HA -0.146 3.666 4.340 -0.881 0.000 0.207 21 L C 2.294 179.047 176.870 -0.196 0.000 1.078 21 L CA 1.150 55.810 54.840 -0.299 0.000 0.749 21 L CB -0.298 41.710 42.059 -0.084 0.000 0.901 21 L HN 0.150 8.380 8.230 -0.000 0.000 0.433 22 I N -1.022 119.414 120.570 -0.223 0.000 2.179 22 I HA -0.316 3.325 4.170 -0.881 0.000 0.242 22 I C 2.408 178.473 176.117 -0.087 0.000 1.088 22 I CA 1.363 62.568 61.300 -0.158 0.000 1.357 22 I CB -0.320 37.515 38.000 -0.276 0.000 1.051 22 I HN 0.085 8.295 8.210 -0.000 0.000 0.409 23 F N 1.159 120.974 119.950 -0.225 0.000 2.095 23 F HA -0.243 3.758 4.527 -0.877 0.000 0.298 23 F C 2.679 178.390 175.800 -0.148 0.000 1.104 23 F CA 1.108 58.963 58.000 -0.243 0.000 1.232 23 F CB -1.537 37.205 39.000 -0.431 0.000 0.987 23 F HN 0.040 8.340 8.300 -0.000 0.000 0.475 24 A N -0.679 122.139 122.820 -0.003 0.000 1.873 24 A HA -0.306 3.485 4.320 -0.881 0.000 0.218 24 A C 2.191 179.767 177.584 -0.012 0.000 1.193 24 A CA 1.921 53.931 52.037 -0.044 0.000 0.629 24 A CB -1.699 17.156 19.000 -0.241 0.000 0.826 24 A HN 0.477 8.627 8.150 -0.000 0.000 0.447 25 Y N 0.291 120.523 120.300 -0.114 0.000 2.181 25 Y HA -0.100 3.922 4.550 -0.880 0.000 0.288 25 Y C 1.812 177.667 175.900 -0.076 0.000 1.146 25 Y CA 1.884 59.927 58.100 -0.096 0.000 1.164 25 Y CB -0.209 38.188 38.460 -0.105 0.000 0.982 25 Y HN 0.200 8.480 8.280 -0.000 0.000 0.515 26 L N -0.613 120.512 121.223 -0.163 0.000 2.492 26 L HA 0.145 3.957 4.340 -0.881 0.000 0.223 26 L C 1.747 178.476 176.870 -0.236 0.000 1.132 26 L CA 0.740 55.422 54.840 -0.263 0.000 0.850 26 L CB -0.620 41.312 42.059 -0.213 0.000 0.966 26 L HN 0.506 8.736 8.230 -0.000 0.000 0.454 27 G N 1.052 109.757 108.800 -0.158 0.000 2.143 27 G HA2 -0.289 3.142 3.960 -0.881 0.000 0.248 27 G HA3 -0.289 3.142 3.960 -0.881 0.000 0.248 27 G C 0.194 175.030 174.900 -0.108 0.000 0.991 27 G CA -0.174 44.856 45.100 -0.117 0.000 0.689 27 G HN 0.299 8.589 8.290 -0.000 0.000 0.522 28 I N 1.232 121.729 120.570 -0.121 0.000 2.396 28 I HA 0.211 3.853 4.170 -0.881 0.000 0.289 28 I C 0.971 177.011 176.117 -0.128 0.000 1.056 28 I CA -0.364 60.824 61.300 -0.186 0.000 1.365 28 I CB 1.047 38.861 38.000 -0.311 0.000 1.407 28 I HN 0.315 8.525 8.210 -0.000 0.000 0.509 29 E N 8.158 128.290 120.200 -0.114 0.000 2.338 29 E HA 0.203 4.024 4.350 -0.881 0.000 0.272 29 E C -1.574 174.982 176.600 -0.073 0.000 1.029 29 E CA -0.201 56.152 56.400 -0.077 0.000 0.872 29 E CB 0.844 30.493 29.700 -0.086 0.000 1.015 29 E HN 0.513 8.873 8.360 -0.000 0.000 0.417 30 Y N -0.438 119.698 120.300 -0.274 0.000 2.713 30 Y HA 0.370 4.392 4.550 -0.880 0.000 0.335 30 Y C -1.375 174.419 175.900 -0.176 0.000 1.222 30 Y CA -1.245 56.684 58.100 -0.285 0.000 1.061 30 Y CB 0.833 39.005 38.460 -0.481 0.000 1.314 30 Y HN 0.192 8.472 8.280 -0.000 0.000 0.453 31 T N 2.198 116.625 114.554 -0.211 0.000 2.749 31 T HA 0.236 4.057 4.350 -0.881 0.000 0.287 31 T C -1.169 173.397 174.700 -0.223 0.000 0.970 31 T CA -0.226 61.705 62.100 -0.282 0.000 0.980 31 T CB 0.454 69.219 68.868 -0.171 0.000 0.924 31 T HN 0.605 8.845 8.240 -0.000 0.000 0.456 32 D N 3.050 123.255 120.400 -0.324 0.000 2.524 32 D HA 0.189 4.301 4.640 -0.881 0.000 0.222 32 D C -0.004 176.207 176.300 -0.148 0.000 1.142 32 D CA -0.625 53.309 54.000 -0.110 0.000 0.973 32 D CB 0.261 41.004 40.800 -0.095 0.000 1.025 32 D HN 0.125 8.495 8.370 -0.000 0.000 0.519 33 K N 2.239 122.492 120.400 -0.246 0.000 2.339 33 K HA 0.313 4.105 4.320 -0.881 0.000 0.286 33 K C -0.597 175.776 176.600 -0.378 0.000 1.050 33 K CA -0.203 55.905 56.287 -0.298 0.000 0.956 33 K CB 0.396 32.654 32.500 -0.403 0.000 0.990 33 K HN 0.210 8.460 8.250 -0.000 0.000 0.475 34 R N 4.492 124.817 120.500 -0.292 0.000 2.451 34 R HA 0.325 4.137 4.340 -0.881 0.000 0.307 34 R C -0.757 175.433 176.300 -0.184 0.000 0.965 34 R CA -0.556 55.375 56.100 -0.283 0.000 0.865 34 R CB 0.978 31.220 30.300 -0.097 0.000 1.174 34 R HN 0.497 8.767 8.270 -0.000 0.000 0.455 35 F N 1.261 121.183 119.950 -0.047 0.000 2.443 35 F HA 0.274 4.270 4.527 -0.885 0.000 0.353 35 F C 1.669 177.540 175.800 0.118 0.000 1.101 35 F CA 0.360 58.374 58.000 0.024 0.000 1.226 35 F CB 1.243 40.232 39.000 -0.018 0.000 1.140 35 F HN 0.852 9.152 8.300 -0.000 0.000 0.557 36 G N 1.622 110.598 108.800 0.292 0.000 2.137 36 G HA2 -0.261 3.171 3.960 -0.881 0.000 0.237 36 G HA3 -0.261 3.171 3.960 -0.881 0.000 0.237 36 G C 0.595 175.569 174.900 0.123 0.000 1.002 36 G CA 0.165 45.382 45.100 0.195 0.000 0.702 36 G HN 0.563 8.853 8.290 -0.000 0.000 0.515 37 V N 0.014 119.987 119.914 0.098 0.000 2.358 37 V HA -0.151 3.440 4.120 -0.881 0.000 0.246 37 V C 2.323 178.445 176.094 0.048 0.000 1.047 37 V CA 2.438 64.772 62.300 0.056 0.000 1.035 37 V CB -0.226 31.618 31.823 0.036 0.000 0.658 37 V HN 0.581 8.771 8.190 -0.000 0.000 0.452 38 N N -0.735 117.997 118.700 0.052 0.000 2.460 38 N HA 0.169 4.380 4.740 -0.881 0.000 0.193 38 N C 0.812 176.344 175.510 0.036 0.000 1.080 38 N CA 1.057 54.130 53.050 0.038 0.000 0.869 38 N CB 1.269 39.776 38.487 0.032 0.000 1.201 38 N HN 0.474 8.854 8.380 -0.000 0.000 0.457 39 G N 0.674 109.497 108.800 0.038 0.000 2.513 39 G HA2 0.360 3.791 3.960 -0.881 0.000 0.282 39 G HA3 0.360 3.791 3.960 -0.881 0.000 0.282 39 G C -1.644 173.253 174.900 -0.005 0.000 1.397 39 G CA -0.555 44.556 45.100 0.018 0.000 1.291 39 G HN -0.002 8.288 8.290 -0.000 0.000 0.596 40 D N 0.756 121.164 120.400 0.013 0.000 3.861 40 D HA -0.139 3.972 4.640 -0.881 0.000 0.222 40 D C 1.542 177.805 176.300 -0.060 0.000 1.063 40 D CA 1.085 55.068 54.000 -0.027 0.000 1.163 40 D CB -0.072 40.606 40.800 -0.204 0.000 0.765 40 D HN 0.836 9.206 8.370 -0.000 0.000 0.383 41 A N 2.732 125.631 122.820 0.131 0.000 1.908 41 A HA -0.189 3.602 4.320 -0.881 0.000 0.218 41 A C 1.809 179.563 177.584 0.284 0.000 1.181 41 A CA 1.865 54.066 52.037 0.272 0.000 0.627 41 A CB -0.766 18.455 19.000 0.367 0.000 0.818 41 A HN 0.735 8.885 8.150 -0.000 0.000 0.445 42 F N -0.227 119.833 119.950 0.182 0.000 2.161 42 F HA -0.112 3.886 4.527 -0.882 0.000 0.300 42 F C 1.781 177.676 175.800 0.158 0.000 1.089 42 F CA 1.384 59.504 58.000 0.201 0.000 1.282 42 F CB -1.016 38.048 39.000 0.108 0.000 1.010 42 F HN -0.012 8.288 8.300 -0.000 0.000 0.485 43 V N 0.646 120.181 119.914 -0.633 0.000 2.379 43 V HA -0.224 3.368 4.120 -0.881 0.000 0.245 43 V C 2.570 178.563 176.094 -0.168 0.000 1.044 43 V CA 2.137 64.192 62.300 -0.407 0.000 1.036 43 V CB -0.768 30.752 31.823 -0.504 0.000 0.664 43 V HN 0.456 8.646 8.190 -0.000 0.000 0.453 44 E N -0.324 119.806 120.200 -0.116 0.000 2.072 44 E HA -0.230 3.592 4.350 -0.881 0.000 0.191 44 E C 2.076 178.528 176.600 -0.247 0.000 0.985 44 E CA 1.332 57.679 56.400 -0.088 0.000 0.801 44 E CB -0.161 29.562 29.700 0.038 0.000 0.750 44 E HN 0.636 8.996 8.360 -0.000 0.000 0.452 45 F N 1.412 121.125 119.950 -0.393 0.000 2.171 45 F HA -0.188 3.812 4.527 -0.879 0.000 0.300 45 F C 2.354 178.058 175.800 -0.161 0.000 1.090 45 F CA 1.210 58.912 58.000 -0.496 0.000 1.293 45 F CB 0.109 39.074 39.000 -0.058 0.000 1.013 45 F HN -0.110 8.190 8.300 -0.000 0.000 0.486 46 K N 0.428 120.727 120.400 -0.167 0.000 2.026 46 K HA -0.204 3.588 4.320 -0.881 0.000 0.208 46 K C 1.684 178.159 176.600 -0.209 0.000 1.048 46 K CA 1.728 57.885 56.287 -0.217 0.000 0.929 46 K CB -0.213 32.247 32.500 -0.066 0.000 0.713 46 K HN 0.275 8.525 8.250 -0.000 0.000 0.439 47 N N 0.397 119.010 118.700 -0.143 0.000 2.244 47 N HA -0.157 4.054 4.740 -0.881 0.000 0.183 47 N C 1.601 177.054 175.510 -0.096 0.000 1.016 47 N CA 0.917 53.906 53.050 -0.102 0.000 0.866 47 N CB -0.358 38.096 38.487 -0.056 0.000 0.980 47 N HN 0.234 8.614 8.380 -0.000 0.000 0.430 48 F N 2.383 122.160 119.950 -0.289 0.000 2.102 48 F HA -0.130 3.867 4.527 -0.883 0.000 0.298 48 F C 2.014 177.652 175.800 -0.270 0.000 1.105 48 F CA 1.401 59.238 58.000 -0.272 0.000 1.239 48 F CB 0.036 38.796 39.000 -0.399 0.000 0.991 48 F HN -0.122 8.178 8.300 -0.000 0.000 0.474 49 K N 0.354 120.429 120.400 -0.542 0.000 2.147 49 K HA -0.170 3.621 4.320 -0.881 0.000 0.205 49 K C 1.941 178.299 176.600 -0.403 0.000 1.049 49 K CA 1.546 57.482 56.287 -0.585 0.000 0.936 49 K CB -0.192 31.999 32.500 -0.516 0.000 0.722 49 K HN 0.330 8.580 8.250 -0.000 0.000 0.446 50 K N 1.042 121.264 120.400 -0.296 0.000 2.148 50 K HA -0.163 3.629 4.320 -0.881 0.000 0.204 50 K C 1.811 178.293 176.600 -0.196 0.000 1.050 50 K CA 1.602 57.768 56.287 -0.202 0.000 0.942 50 K CB 0.083 32.499 32.500 -0.141 0.000 0.724 50 K HN 0.373 8.623 8.250 -0.000 0.000 0.446 51 E N 0.180 120.242 120.200 -0.230 0.000 2.447 51 E HA 0.055 3.876 4.350 -0.881 0.000 0.195 51 E C -0.005 176.443 176.600 -0.254 0.000 1.028 51 E CA 0.282 56.571 56.400 -0.186 0.000 0.876 51 E CB 0.328 29.965 29.700 -0.106 0.000 0.885 51 E HN -0.125 8.235 8.360 -0.000 0.000 0.500 52 K N 1.295 121.435 120.400 -0.432 0.000 2.397 52 K HA 0.180 3.972 4.320 -0.881 0.000 0.253 52 K C -1.586 174.782 176.600 -0.387 0.000 0.932 52 K CA -0.711 55.294 56.287 -0.470 0.000 0.795 52 K CB 1.903 33.877 32.500 -0.877 0.000 1.159 52 K HN -0.141 8.109 8.250 -0.000 0.000 0.424 53 D N 2.266 122.520 120.400 -0.244 0.000 2.402 53 D HA 0.056 4.168 4.640 -0.881 0.000 0.235 53 D C -0.777 175.423 176.300 -0.167 0.000 1.226 53 D CA 0.040 53.930 54.000 -0.184 0.000 0.918 53 D CB 0.254 40.977 40.800 -0.128 0.000 1.043 53 D HN 0.514 8.883 8.370 -0.000 0.000 0.506 54 T N 1.485 115.937 114.554 -0.170 0.000 2.867 54 T HA 0.475 4.296 4.350 -0.881 0.000 0.282 54 T C -1.373 173.232 174.700 -0.158 0.000 1.000 54 T CA -1.449 60.588 62.100 -0.105 0.000 1.042 54 T CB 1.851 70.716 68.868 -0.005 0.000 0.973 54 T HN 0.095 8.335 8.240 -0.000 0.000 0.465 55 P HA 0.092 4.512 4.420 -0.000 0.000 0.221 55 P C 0.324 177.219 177.300 -0.676 0.000 1.150 55 P CA 0.950 63.689 63.100 -0.602 0.000 0.800 55 P CB -0.009 31.141 31.700 -0.916 0.000 0.787 56 F N -1.121 118.869 119.950 0.065 0.000 2.825 56 F HA 0.252 4.262 4.527 -0.863 0.000 0.322 56 F C 0.310 176.180 175.800 0.118 0.000 1.127 56 F CA -0.561 57.486 58.000 0.080 0.000 1.164 56 F CB 0.061 39.113 39.000 0.087 0.000 1.101 56 F HN -0.255 8.045 8.300 -0.000 0.000 0.529 57 E N 1.266 121.603 120.200 0.228 0.000 2.440 57 E HA -0.238 3.584 4.350 -0.881 0.000 0.246 57 E C -0.317 176.575 176.600 0.485 0.000 1.165 57 E CA 0.488 57.031 56.400 0.237 0.000 0.726 57 E CB -1.278 28.501 29.700 0.132 0.000 1.271 57 E HN 0.590 8.950 8.360 -0.000 0.000 0.397 58 Q N -0.659 119.448 119.800 0.512 0.000 2.456 58 Q HA 0.634 4.446 4.340 -0.881 0.000 0.283 58 Q C -0.216 176.039 176.000 0.425 0.000 1.084 58 Q CA -0.710 55.400 55.803 0.512 0.000 0.801 58 Q CB 2.730 31.682 28.738 0.357 0.000 1.434 58 Q HN 0.100 8.370 8.270 -0.000 0.000 0.419 59 V N -2.182 117.877 119.914 0.242 0.000 2.994 59 V HA 0.667 4.258 4.120 -0.881 0.000 0.318 59 V C -2.475 173.803 176.094 0.306 0.000 1.085 59 V CA -2.327 60.114 62.300 0.234 0.000 0.998 59 V CB 0.968 32.800 31.823 0.014 0.000 1.063 59 V HN 0.636 8.826 8.190 -0.000 0.000 0.447 60 P HA 0.356 4.776 4.420 -0.000 0.000 0.269 60 P C -1.054 176.369 177.300 0.204 0.000 1.215 60 P CA 0.063 63.267 63.100 0.173 0.000 0.780 60 P CB 0.625 32.296 31.700 -0.048 0.000 0.898 61 I N 2.532 123.255 120.570 0.256 0.000 2.498 61 I HA 0.322 3.964 4.170 -0.881 0.000 0.290 61 I C -0.085 176.224 176.117 0.320 0.000 1.032 61 I CA -0.825 60.662 61.300 0.313 0.000 1.073 61 I CB 1.864 40.138 38.000 0.457 0.000 1.251 61 I HN 0.284 8.494 8.210 -0.000 0.000 0.426 62 L N 6.435 127.801 121.223 0.238 0.000 2.298 62 L HA 0.443 4.254 4.340 -0.881 0.000 0.284 62 L C -0.534 176.474 176.870 0.230 0.000 1.013 62 L CA -0.336 54.637 54.840 0.220 0.000 0.824 62 L CB 1.642 43.797 42.059 0.160 0.000 1.221 62 L HN 0.727 8.957 8.230 -0.000 0.000 0.418 63 Q N 5.586 125.552 119.800 0.277 0.000 2.347 63 Q HA 0.484 4.296 4.340 -0.881 0.000 0.262 63 Q C -1.350 174.748 176.000 0.164 0.000 0.980 63 Q CA -0.526 55.423 55.803 0.244 0.000 0.867 63 Q CB 1.408 30.374 28.738 0.380 0.000 1.242 63 Q HN 0.680 8.950 8.270 -0.000 0.000 0.453 64 I N 4.931 125.578 120.570 0.127 0.000 2.359 64 I HA 0.414 4.056 4.170 -0.881 0.000 0.284 64 I C 0.870 177.038 176.117 0.085 0.000 1.018 64 I CA -0.205 61.158 61.300 0.104 0.000 1.173 64 I CB 1.108 39.182 38.000 0.123 0.000 1.326 64 I HN 1.000 9.210 8.210 -0.000 0.000 0.462 65 G N 5.442 114.287 108.800 0.075 0.000 2.565 65 G HA2 -0.299 3.133 3.960 -0.881 0.000 0.295 65 G HA3 -0.299 3.133 3.960 -0.881 0.000 0.295 65 G C 0.492 175.433 174.900 0.069 0.000 1.165 65 G CA 0.432 45.569 45.100 0.063 0.000 0.977 65 G HN 0.546 8.836 8.290 -0.000 0.000 0.546 66 D N 0.480 120.911 120.400 0.052 0.000 2.349 66 D HA 0.263 4.374 4.640 -0.881 0.000 0.214 66 D C 0.917 177.241 176.300 0.039 0.000 1.063 66 D CA -0.117 53.910 54.000 0.045 0.000 0.847 66 D CB 0.165 40.982 40.800 0.027 0.000 0.933 66 D HN 0.250 8.620 8.370 -0.000 0.000 0.513 67 L N 1.469 122.717 121.223 0.043 0.000 2.410 67 L HA 0.218 4.030 4.340 -0.881 0.000 0.273 67 L C -0.272 176.624 176.870 0.044 0.000 1.144 67 L CA 0.180 55.036 54.840 0.026 0.000 0.863 67 L CB 0.393 42.463 42.059 0.019 0.000 1.140 67 L HN -0.136 8.094 8.230 -0.000 0.000 0.463 68 I N 6.579 127.162 120.570 0.023 0.000 2.330 68 I HA 0.289 3.931 4.170 -0.881 0.000 0.289 68 I C -0.679 175.446 176.117 0.013 0.000 1.001 68 I CA -0.370 60.956 61.300 0.044 0.000 1.193 68 I CB 0.869 38.881 38.000 0.019 0.000 1.345 68 I HN 0.412 8.622 8.210 -0.000 0.000 0.461 69 L N 6.527 127.775 121.223 0.041 0.000 2.313 69 L HA 0.780 4.591 4.340 -0.881 0.000 0.283 69 L C 0.066 176.978 176.870 0.071 0.000 1.013 69 L CA -0.455 54.389 54.840 0.007 0.000 0.816 69 L CB 1.653 43.691 42.059 -0.035 0.000 1.236 69 L HN 0.630 8.860 8.230 -0.000 0.000 0.419 70 A N 2.833 125.697 122.820 0.073 0.000 2.344 70 A HA 0.792 4.583 4.320 -0.881 0.000 0.307 70 A C -1.005 176.670 177.584 0.153 0.000 1.151 70 A CA -0.410 51.714 52.037 0.145 0.000 0.842 70 A CB 1.481 20.590 19.000 0.181 0.000 1.350 70 A HN 0.667 8.817 8.150 -0.000 0.000 0.459 71 Q N -0.332 119.575 119.800 0.180 0.000 2.476 71 Q HA -0.132 3.679 4.340 -0.881 0.000 0.256 71 Q C 1.011 177.061 176.000 0.084 0.000 1.269 71 Q CA 0.749 56.635 55.803 0.138 0.000 0.627 71 Q CB -1.790 27.038 28.738 0.149 0.000 0.751 71 Q HN 1.481 9.751 8.270 -0.000 0.000 0.317 72 S N 1.470 117.206 115.700 0.061 0.000 2.365 72 S HA -0.317 3.624 4.470 -0.881 0.000 0.225 72 S C 1.439 176.081 174.600 0.069 0.000 1.039 72 S CA 1.852 60.068 58.200 0.027 0.000 1.033 72 S CB -0.006 63.192 63.200 -0.004 0.000 0.887 72 S HN 0.604 8.914 8.310 -0.000 0.000 0.447 73 Q N 1.574 121.443 119.800 0.116 0.000 2.084 73 Q HA 0.187 3.998 4.340 -0.881 0.000 0.202 73 Q C 2.545 178.629 176.000 0.139 0.000 0.978 73 Q CA 1.630 57.566 55.803 0.223 0.000 0.844 73 Q CB -0.703 28.121 28.738 0.144 0.000 0.898 73 Q HN 0.765 9.035 8.270 -0.000 0.000 0.426 74 A N 0.060 122.932 122.820 0.086 0.000 1.929 74 A HA -0.110 3.681 4.320 -0.881 0.000 0.216 74 A C 2.012 179.627 177.584 0.051 0.000 1.176 74 A CA 0.918 52.995 52.037 0.067 0.000 0.628 74 A CB -0.518 18.522 19.000 0.067 0.000 0.816 74 A HN 0.331 8.481 8.150 -0.000 0.000 0.444 75 I N -0.496 120.096 120.570 0.035 0.000 2.179 75 I HA -0.217 3.425 4.170 -0.881 0.000 0.242 75 I C 2.351 178.459 176.117 -0.015 0.000 1.088 75 I CA 1.119 62.436 61.300 0.029 0.000 1.357 75 I CB -0.377 37.622 38.000 -0.002 0.000 1.051 75 I HN 0.139 8.349 8.210 -0.000 0.000 0.409 76 V N 0.831 120.682 119.914 -0.105 0.000 2.324 76 V HA -0.321 3.270 4.120 -0.881 0.000 0.250 76 V C 2.594 178.458 176.094 -0.383 0.000 1.060 76 V CA 1.980 64.114 62.300 -0.276 0.000 1.042 76 V CB -0.780 30.820 31.823 -0.371 0.000 0.650 76 V HN 0.374 8.564 8.190 -0.000 0.000 0.450 77 R N -1.477 118.841 120.500 -0.302 0.000 2.075 77 R HA -0.170 3.641 4.340 -0.881 0.000 0.232 77 R C 2.331 178.553 176.300 -0.130 0.000 1.126 77 R CA 1.975 57.886 56.100 -0.316 0.000 0.963 77 R CB -0.502 29.728 30.300 -0.118 0.000 0.858 77 R HN 0.670 8.940 8.270 -0.000 0.000 0.435 78 Y N 1.133 121.355 120.300 -0.129 0.000 2.114 78 Y HA -0.255 3.766 4.550 -0.882 0.000 0.284 78 Y C 1.960 177.816 175.900 -0.074 0.000 1.143 78 Y CA 1.320 59.374 58.100 -0.077 0.000 1.135 78 Y CB -0.178 38.259 38.460 -0.038 0.000 0.980 78 Y HN -0.078 8.202 8.280 -0.000 0.000 0.499 79 L N -0.051 121.150 121.223 -0.037 0.000 2.042 79 L HA -0.237 3.574 4.340 -0.881 0.000 0.210 79 L C 2.546 179.391 176.870 -0.041 0.000 1.076 79 L CA 2.038 56.867 54.840 -0.018 0.000 0.749 79 L CB -1.315 40.762 42.059 0.030 0.000 0.893 79 L HN 0.235 8.465 8.230 -0.000 0.000 0.432 80 S N -1.202 114.422 115.700 -0.128 0.000 2.387 80 S HA -0.163 3.778 4.470 -0.881 0.000 0.226 80 S C 1.950 176.518 174.600 -0.053 0.000 1.026 80 S CA 1.029 59.186 58.200 -0.072 0.000 0.972 80 S CB -0.026 63.055 63.200 -0.199 0.000 0.814 80 S HN 0.395 8.705 8.310 -0.000 0.000 0.477 81 K N 1.644 121.965 120.400 -0.132 0.000 2.031 81 K HA -0.045 3.747 4.320 -0.881 0.000 0.205 81 K C 2.167 178.630 176.600 -0.228 0.000 1.049 81 K CA 1.220 57.429 56.287 -0.129 0.000 0.939 81 K CB -0.128 32.300 32.500 -0.120 0.000 0.717 81 K HN 0.128 8.378 8.250 -0.000 0.000 0.438 82 K N -0.325 119.821 120.400 -0.424 0.000 2.063 82 K HA -0.175 3.617 4.320 -0.881 0.000 0.208 82 K C 0.775 176.994 176.600 -0.636 0.000 1.048 82 K CA 1.688 57.587 56.287 -0.646 0.000 0.928 82 K CB -0.066 31.831 32.500 -1.004 0.000 0.713 82 K HN 0.246 8.496 8.250 -0.000 0.000 0.442 83 Y N 0.856 121.102 120.300 -0.090 0.000 2.625 83 Y HA 0.224 4.245 4.550 -0.883 0.000 0.285 83 Y C -0.315 175.586 175.900 0.003 0.000 1.168 83 Y CA -0.707 57.375 58.100 -0.029 0.000 1.250 83 Y CB 0.312 38.771 38.460 -0.002 0.000 1.130 83 Y HN 0.113 8.393 8.280 -0.000 0.000 0.526 84 N N 1.306 120.042 118.700 0.061 0.000 2.738 84 N HA -0.208 4.003 4.740 -0.881 0.000 0.249 84 N C -0.262 175.303 175.510 0.093 0.000 1.047 84 N CA 1.348 54.435 53.050 0.061 0.000 0.707 84 N CB -1.774 36.746 38.487 0.055 0.000 0.937 84 N HN 0.725 9.105 8.380 -0.000 0.000 0.545 85 I N -3.264 117.373 120.570 0.112 0.000 3.176 85 I HA 0.360 4.001 4.170 -0.881 0.000 0.339 85 I C 0.994 177.212 176.117 0.169 0.000 1.505 85 I CA -0.761 60.606 61.300 0.112 0.000 0.969 85 I CB 0.214 38.285 38.000 0.118 0.000 1.636 85 I HN 0.193 8.403 8.210 -0.000 0.000 0.523 86 C N -0.617 118.771 119.300 0.147 0.000 2.976 86 C HA 0.838 4.769 4.460 -0.881 0.000 0.274 86 C C 0.982 176.047 174.990 0.124 0.000 1.487 86 C CA 0.036 59.182 59.018 0.214 0.000 1.789 86 C CB -1.089 26.766 27.740 0.193 0.000 2.771 86 C HN 1.031 9.261 8.230 -0.000 0.000 0.551 87 G N 1.167 110.009 108.800 0.069 0.000 2.757 87 G HA2 -0.070 3.361 3.960 -0.881 0.000 0.638 87 G HA3 -0.070 3.361 3.960 -0.881 0.000 0.638 87 G C -0.325 174.603 174.900 0.047 0.000 1.344 87 G CA 0.152 45.285 45.100 0.055 0.000 0.855 87 G HN 0.515 8.805 8.290 -0.000 0.000 0.537 88 E N -0.708 119.519 120.200 0.045 0.000 2.759 88 E HA 0.404 4.226 4.350 -0.881 0.000 0.220 88 E C 0.349 176.973 176.600 0.040 0.000 0.974 88 E CA 0.490 56.911 56.400 0.035 0.000 1.148 88 E CB 0.859 30.572 29.700 0.022 0.000 1.059 88 E HN 0.950 9.310 8.360 -0.000 0.000 0.493 89 S N -0.771 114.961 115.700 0.053 0.000 2.588 89 S HA 0.163 4.104 4.470 -0.881 0.000 0.275 89 S C 0.850 175.483 174.600 0.055 0.000 1.130 89 S CA -0.840 57.389 58.200 0.050 0.000 0.855 89 S CB 1.650 64.884 63.200 0.056 0.000 1.116 89 S HN 0.207 8.517 8.310 -0.000 0.000 0.472 90 E N 0.541 120.765 120.200 0.039 0.000 2.160 90 E HA -0.181 3.640 4.350 -0.881 0.000 0.195 90 E C 1.614 178.239 176.600 0.041 0.000 0.991 90 E CA 0.991 57.414 56.400 0.039 0.000 0.810 90 E CB -0.309 29.401 29.700 0.016 0.000 0.742 90 E HN 0.441 8.801 8.360 -0.000 0.000 0.466 91 L N 1.776 123.007 121.223 0.013 0.000 2.023 91 L HA -0.060 3.752 4.340 -0.881 0.000 0.205 91 L C 1.710 178.581 176.870 0.002 0.000 1.073 91 L CA 1.971 56.779 54.840 -0.053 0.000 0.745 91 L CB -0.813 41.214 42.059 -0.053 0.000 0.900 91 L HN 0.118 8.348 8.230 -0.000 0.000 0.435 92 N N -0.770 118.010 118.700 0.133 0.000 2.205 92 N HA -0.253 3.958 4.740 -0.881 0.000 0.186 92 N C 1.694 177.302 175.510 0.164 0.000 1.015 92 N CA 1.133 54.316 53.050 0.222 0.000 0.862 92 N CB -0.066 38.525 38.487 0.173 0.000 0.986 92 N HN 0.521 8.901 8.380 -0.000 0.000 0.429 93 E N 0.625 120.902 120.200 0.128 0.000 2.072 93 E HA -0.209 3.612 4.350 -0.881 0.000 0.191 93 E C 1.746 178.431 176.600 0.141 0.000 0.985 93 E CA 0.762 57.242 56.400 0.134 0.000 0.801 93 E CB -0.068 29.705 29.700 0.122 0.000 0.750 93 E HN 0.359 8.719 8.360 -0.000 0.000 0.452 94 F N 0.311 120.261 119.950 -0.001 0.000 2.134 94 F HA -0.222 3.777 4.527 -0.879 0.000 0.299 94 F C 1.705 177.536 175.800 0.052 0.000 1.097 94 F CA 1.367 59.352 58.000 -0.025 0.000 1.264 94 F CB -0.430 38.472 39.000 -0.164 0.000 1.001 94 F HN 0.048 8.348 8.300 -0.000 0.000 0.479 95 Y N 0.800 121.060 120.300 -0.067 0.000 2.181 95 Y HA -0.111 3.908 4.550 -0.884 0.000 0.288 95 Y C 2.715 178.508 175.900 -0.179 0.000 1.146 95 Y CA 0.858 58.866 58.100 -0.153 0.000 1.164 95 Y CB -1.571 36.938 38.460 0.081 0.000 0.982 95 Y HN 0.199 8.479 8.280 -0.000 0.000 0.515 96 A N -0.106 122.730 122.820 0.027 0.000 1.908 96 A HA -0.251 3.540 4.320 -0.881 0.000 0.218 96 A C 2.126 179.611 177.584 -0.164 0.000 1.181 96 A CA 2.097 54.033 52.037 -0.168 0.000 0.627 96 A CB -0.880 17.949 19.000 -0.284 0.000 0.818 96 A HN 0.424 8.574 8.150 -0.000 0.000 0.445 97 D N -0.690 119.700 120.400 -0.015 0.000 2.097 97 D HA -0.188 3.923 4.640 -0.881 0.000 0.195 97 D C 1.963 178.261 176.300 -0.005 0.000 0.989 97 D CA 1.689 55.766 54.000 0.129 0.000 0.827 97 D CB -0.347 40.512 40.800 0.099 0.000 0.966 97 D HN 0.430 8.800 8.370 -0.000 0.000 0.456 98 M N -0.276 119.155 119.600 -0.280 0.000 2.108 98 M HA -0.195 3.757 4.480 -0.881 0.000 0.261 98 M C 2.145 178.439 176.300 -0.010 0.000 1.066 98 M CA 1.408 56.571 55.300 -0.230 0.000 1.107 98 M CB -0.119 32.225 32.600 -0.426 0.000 1.356 98 M HN 0.049 8.339 8.290 -0.000 0.000 0.406 99 I N -0.396 120.181 120.570 0.013 0.000 2.252 99 I HA -0.290 3.351 4.170 -0.881 0.000 0.245 99 I C 2.225 178.446 176.117 0.172 0.000 1.102 99 I CA 1.021 62.371 61.300 0.083 0.000 1.385 99 I CB -0.520 37.440 38.000 -0.066 0.000 1.064 99 I HN 0.295 8.505 8.210 -0.000 0.000 0.414 100 F N 1.361 121.287 119.950 -0.040 0.000 2.095 100 F HA -0.290 3.725 4.527 -0.853 0.000 0.298 100 F C 2.520 178.370 175.800 0.083 0.000 1.104 100 F CA 1.203 59.227 58.000 0.040 0.000 1.232 100 F CB -0.867 38.238 39.000 0.175 0.000 0.987 100 F HN 0.129 8.429 8.300 -0.000 0.000 0.475 101 C N 0.332 119.627 119.300 -0.008 0.000 2.425 101 C HA -0.054 3.877 4.460 -0.881 0.000 0.277 101 C C 3.108 178.097 174.990 -0.000 0.000 1.280 101 C CA 1.103 60.048 59.018 -0.122 0.000 1.744 101 C CB -1.930 25.785 27.740 -0.042 0.000 1.989 101 C HN 0.677 8.907 8.230 -0.000 0.000 0.491 102 G N 0.259 109.151 108.800 0.153 0.000 2.418 102 G HA2 -0.148 3.283 3.960 -0.881 0.000 0.217 102 G HA3 -0.148 3.283 3.960 -0.881 0.000 0.217 102 G C 1.687 176.747 174.900 0.267 0.000 1.158 102 G CA 1.172 46.469 45.100 0.328 0.000 0.771 102 G HN 0.386 8.676 8.290 -0.000 0.000 0.545 103 V N 0.626 120.725 119.914 0.308 0.000 2.392 103 V HA -0.275 3.317 4.120 -0.881 0.000 0.249 103 V C 2.921 179.056 176.094 0.068 0.000 1.059 103 V CA 2.308 64.733 62.300 0.208 0.000 1.051 103 V CB -0.558 31.356 31.823 0.152 0.000 0.658 103 V HN 0.454 8.644 8.190 -0.000 0.000 0.455 104 Q N -0.664 119.113 119.800 -0.039 0.000 2.124 104 Q HA -0.210 3.601 4.340 -0.881 0.000 0.202 104 Q C 2.055 178.020 176.000 -0.058 0.000 0.977 104 Q CA 1.677 57.434 55.803 -0.078 0.000 0.850 104 Q CB -0.231 28.354 28.738 -0.255 0.000 0.901 104 Q HN 0.640 8.910 8.270 -0.000 0.000 0.429 105 D N 0.683 120.994 120.400 -0.148 0.000 2.092 105 D HA -0.164 3.947 4.640 -0.881 0.000 0.193 105 D C 1.781 177.881 176.300 -0.333 0.000 0.994 105 D CA 0.978 54.843 54.000 -0.225 0.000 0.828 105 D CB -0.180 40.422 40.800 -0.330 0.000 0.963 105 D HN 0.161 8.531 8.370 -0.000 0.000 0.450 106 I N 0.466 120.667 120.570 -0.615 0.000 2.439 106 I HA -0.185 3.457 4.170 -0.881 0.000 0.251 106 I C 2.006 178.095 176.117 -0.047 0.000 1.139 106 I CA 1.322 62.311 61.300 -0.517 0.000 1.438 106 I CB -0.369 37.277 38.000 -0.590 0.000 1.085 106 I HN -0.011 8.199 8.210 -0.000 0.000 0.427 107 H N -0.519 118.514 119.070 -0.062 0.000 2.321 107 H HA -0.244 3.783 4.556 -0.882 0.000 0.300 107 H C 1.999 177.397 175.328 0.115 0.000 1.087 107 H CA 2.225 58.304 56.048 0.051 0.000 1.319 107 H CB -0.590 29.193 29.762 0.035 0.000 1.379 107 H HN 0.486 8.766 8.280 -0.000 0.000 0.501 108 Y N 1.887 122.240 120.300 0.088 0.000 2.128 108 Y HA -0.217 4.313 4.550 -0.033 0.000 0.284 108 Y C 2.393 178.282 175.900 -0.018 0.000 1.154 108 Y CA 1.950 60.050 58.100 0.001 0.000 1.149 108 Y CB -0.163 38.271 38.460 -0.044 0.000 0.976 108 Y HN 0.072 8.352 8.280 -0.000 0.000 0.505 109 K N -0.774 119.564 120.400 -0.103 0.000 2.057 109 K HA -0.213 3.578 4.320 -0.881 0.000 0.207 109 K C 2.099 178.518 176.600 -0.301 0.000 1.049 109 K CA 1.845 58.020 56.287 -0.187 0.000 0.931 109 K CB -0.665 31.868 32.500 0.056 0.000 0.714 109 K HN 0.434 8.684 8.250 -0.000 0.000 0.440 110 F N 2.501 122.273 119.950 -0.296 0.000 2.134 110 F HA -0.191 3.803 4.527 -0.888 0.000 0.299 110 F C 1.732 177.300 175.800 -0.387 0.000 1.097 110 F CA 1.304 58.970 58.000 -0.556 0.000 1.264 110 F CB -0.083 38.845 39.000 -0.120 0.000 1.001 110 F HN 0.005 8.305 8.300 -0.000 0.000 0.479 111 N N 0.868 119.313 118.700 -0.425 0.000 2.188 111 N HA -0.177 4.035 4.740 -0.881 0.000 0.184 111 N C 1.355 176.553 175.510 -0.520 0.000 1.018 111 N CA 1.347 54.103 53.050 -0.490 0.000 0.858 111 N CB -0.737 37.648 38.487 -0.169 0.000 0.989 111 N HN 0.329 8.709 8.380 -0.000 0.000 0.426 112 N N -0.384 118.007 118.700 -0.515 0.000 2.396 112 N HA -0.067 4.144 4.740 -0.881 0.000 0.180 112 N C 1.656 176.959 175.510 -0.345 0.000 1.028 112 N CA 1.275 54.062 53.050 -0.440 0.000 0.893 112 N CB -0.049 38.096 38.487 -0.570 0.000 0.967 112 N HN 0.455 8.835 8.380 -0.000 0.000 0.440 113 T N -3.863 110.416 114.554 -0.459 0.000 3.018 113 T HA 0.142 3.963 4.350 -0.881 0.000 0.246 113 T C 0.734 175.222 174.700 -0.353 0.000 1.026 113 T CA -0.378 61.512 62.100 -0.350 0.000 1.081 113 T CB -0.235 68.417 68.868 -0.361 0.000 0.970 113 T HN -0.037 8.203 8.240 -0.000 0.000 0.475 114 N N 0.686 119.028 118.700 -0.596 0.000 2.453 114 N HA 0.367 4.579 4.740 -0.881 0.000 0.253 114 N C 0.732 175.958 175.510 -0.474 0.000 1.252 114 N CA 0.392 53.127 53.050 -0.525 0.000 0.917 114 N CB 0.604 38.529 38.487 -0.936 0.000 1.117 114 N HN 0.461 8.841 8.380 -0.000 0.000 0.442 115 L N 0.633 121.644 121.223 -0.353 0.000 2.373 115 L HA -0.335 3.476 4.340 -0.881 0.000 0.475 115 L C 0.592 177.305 176.870 -0.262 0.000 1.717 115 L CA 1.099 55.698 54.840 -0.401 0.000 3.179 115 L CB -1.173 40.476 42.059 -0.684 0.000 1.350 115 L HN 0.540 8.770 8.230 -0.000 0.000 0.818 116 F N 1.087 120.954 119.950 -0.138 0.000 2.416 116 F HA 0.118 4.112 4.527 -0.889 0.000 0.296 116 F C 1.582 177.337 175.800 -0.075 0.000 1.099 116 F CA 1.140 59.078 58.000 -0.103 0.000 1.427 116 F CB -0.039 38.891 39.000 -0.117 0.000 1.079 116 F HN 0.129 8.429 8.300 -0.000 0.000 0.536 117 K N 0.033 120.484 120.400 0.084 0.000 3.281 117 K HA -0.312 3.480 4.320 -0.881 0.000 0.295 117 K C 1.229 177.864 176.600 0.058 0.000 1.233 117 K CA 0.795 57.121 56.287 0.064 0.000 0.866 117 K CB -2.091 30.454 32.500 0.074 0.000 1.265 117 K HN 0.372 8.622 8.250 -0.000 0.000 0.482 118 Q N 0.660 120.494 119.800 0.057 0.000 2.082 118 Q HA -0.118 3.693 4.340 -0.881 0.000 0.211 118 Q C 0.378 176.390 176.000 0.020 0.000 1.002 118 Q CA 1.972 57.792 55.803 0.027 0.000 0.868 118 Q CB 0.007 28.753 28.738 0.014 0.000 0.931 118 Q HN 0.356 8.626 8.270 -0.000 0.000 0.414 119 N N -0.695 118.018 118.700 0.021 0.000 2.646 119 N HA 0.040 4.251 4.740 -0.881 0.000 0.303 119 N C -0.465 175.094 175.510 0.082 0.000 1.921 119 N CA 0.039 53.115 53.050 0.043 0.000 0.872 119 N CB 0.867 39.378 38.487 0.039 0.000 1.327 119 N HN 0.261 8.641 8.380 -0.000 0.000 0.492 120 E N 0.674 120.927 120.200 0.087 0.000 2.051 120 E HA -0.161 3.661 4.350 -0.881 0.000 0.192 120 E C 1.549 178.233 176.600 0.139 0.000 0.991 120 E CA 1.922 58.404 56.400 0.137 0.000 0.799 120 E CB 0.314 30.100 29.700 0.143 0.000 0.748 120 E HN 0.361 8.721 8.360 -0.000 0.000 0.449 121 T N -2.170 112.438 114.554 0.090 0.000 2.867 121 T HA -0.085 3.737 4.350 -0.881 0.000 0.268 121 T C 1.968 176.700 174.700 0.054 0.000 1.057 121 T CA 1.529 63.664 62.100 0.059 0.000 1.136 121 T CB -0.546 68.349 68.868 0.045 0.000 0.874 121 T HN 0.017 8.257 8.240 -0.000 0.000 0.466 122 T N 1.341 115.942 114.554 0.077 0.000 2.737 122 T HA 0.063 3.885 4.350 -0.881 0.000 0.265 122 T C 1.277 176.036 174.700 0.098 0.000 1.038 122 T CA 1.169 63.315 62.100 0.077 0.000 1.144 122 T CB -0.581 68.336 68.868 0.082 0.000 0.866 122 T HN 0.440 8.680 8.240 -0.000 0.000 0.434 123 F N 1.340 121.284 119.950 -0.009 0.000 2.126 123 F HA -0.070 3.927 4.527 -0.883 0.000 0.299 123 F C 1.750 177.520 175.800 -0.049 0.000 1.096 123 F CA 1.005 58.994 58.000 -0.018 0.000 1.255 123 F CB -0.311 38.674 39.000 -0.026 0.000 0.997 123 F HN 0.026 8.326 8.300 -0.000 0.000 0.479 124 L N 0.459 121.596 121.223 -0.143 0.000 2.162 124 L HA -0.076 3.735 4.340 -0.881 0.000 0.205 124 L C 1.879 178.645 176.870 -0.173 0.000 1.086 124 L CA 1.386 56.067 54.840 -0.265 0.000 0.778 124 L CB -1.109 40.855 42.059 -0.160 0.000 0.928 124 L HN 0.153 8.383 8.230 -0.000 0.000 0.446 125 N N -1.591 117.057 118.700 -0.086 0.000 2.392 125 N HA -0.033 4.179 4.740 -0.881 0.000 0.177 125 N C 1.515 176.997 175.510 -0.047 0.000 1.066 125 N CA 0.384 53.404 53.050 -0.050 0.000 0.895 125 N CB 0.517 38.993 38.487 -0.018 0.000 0.988 125 N HN 0.311 8.691 8.380 -0.000 0.000 0.457 126 E N 0.543 120.712 120.200 -0.051 0.000 2.290 126 E HA 0.060 3.881 4.350 -0.881 0.000 0.195 126 E C 0.690 177.266 176.600 -0.039 0.000 0.938 126 E CA 0.291 56.675 56.400 -0.027 0.000 1.018 126 E CB 0.288 29.997 29.700 0.016 0.000 1.042 126 E HN 0.048 8.408 8.360 -0.000 0.000 0.483 127 D N 1.546 121.927 120.400 -0.032 0.000 2.103 127 D HA -0.089 4.022 4.640 -0.881 0.000 0.199 127 D C 2.115 178.416 176.300 0.001 0.000 0.978 127 D CA 0.431 54.477 54.000 0.077 0.000 0.829 127 D CB -0.118 40.774 40.800 0.154 0.000 0.981 127 D HN 0.086 8.456 8.370 -0.000 0.000 0.464 128 L N 0.800 121.795 121.223 -0.380 0.000 2.017 128 L HA -0.119 3.692 4.340 -0.881 0.000 0.208 128 L C -0.758 176.004 176.870 -0.180 0.000 1.073 128 L CA 1.597 56.200 54.840 -0.395 0.000 0.745 128 L CB -1.149 40.440 42.059 -0.783 0.000 0.894 128 L HN 0.017 8.247 8.230 -0.000 0.000 0.432 129 P HA -0.159 4.261 4.420 -0.000 0.000 0.216 129 P C 1.403 178.607 177.300 -0.161 0.000 1.153 129 P CA 1.269 64.355 63.100 -0.024 0.000 0.844 129 P CB -0.029 31.697 31.700 0.042 0.000 0.787 130 K N -1.225 119.027 120.400 -0.246 0.000 2.009 130 K HA -0.177 3.614 4.320 -0.881 0.000 0.210 130 K C 2.015 177.932 176.600 -1.139 0.000 1.049 130 K CA 1.769 57.707 56.287 -0.581 0.000 0.929 130 K CB -0.579 31.658 32.500 -0.439 0.000 0.714 130 K HN 0.126 8.376 8.250 -0.000 0.000 0.440 131 W N 0.699 121.580 121.300 -0.698 0.000 2.418 131 W HA -0.079 4.068 4.660 -0.855 0.000 0.292 131 W C 2.503 178.780 176.519 -0.403 0.000 1.213 131 W CA 0.842 57.845 57.345 -0.570 0.000 1.283 131 W CB -0.370 29.001 29.460 -0.148 0.000 1.119 131 W HN 0.036 8.216 8.180 -0.000 0.000 0.542 132 S N -0.005 115.598 115.700 -0.161 0.000 2.370 132 S HA -0.168 3.774 4.470 -0.881 0.000 0.226 132 S C 2.083 176.356 174.600 -0.544 0.000 1.033 132 S CA 1.511 59.432 58.200 -0.464 0.000 1.011 132 S CB -1.104 61.279 63.200 -1.362 0.000 0.852 132 S HN 0.443 8.753 8.310 -0.000 0.000 0.457 133 G N 0.424 108.961 108.800 -0.440 0.000 2.422 133 G HA2 -0.188 3.244 3.960 -0.881 0.000 0.218 133 G HA3 -0.188 3.244 3.960 -0.881 0.000 0.218 133 G C 1.090 175.946 174.900 -0.072 0.000 1.146 133 G CA 0.684 45.719 45.100 -0.109 0.000 0.769 133 G HN 0.458 8.748 8.290 -0.000 0.000 0.547 134 Y N 0.423 120.569 120.300 -0.258 0.000 2.128 134 Y HA -0.031 3.987 4.550 -0.887 0.000 0.284 134 Y C 2.544 178.328 175.900 -0.194 0.000 1.154 134 Y CA 0.405 58.291 58.100 -0.358 0.000 1.149 134 Y CB -1.213 36.812 38.460 -0.725 0.000 0.976 134 Y HN 0.266 8.546 8.280 -0.000 0.000 0.505 135 F N -0.189 119.889 119.950 0.213 0.000 2.163 135 F HA -0.134 3.859 4.527 -0.890 0.000 0.297 135 F C 2.434 178.385 175.800 0.251 0.000 1.094 135 F CA 0.905 59.078 58.000 0.288 0.000 1.290 135 F CB -0.252 38.917 39.000 0.282 0.000 1.017 135 F HN -0.025 8.275 8.300 -0.000 0.000 0.483 136 E N 0.959 121.331 120.200 0.287 0.000 2.049 136 E HA -0.277 3.545 4.350 -0.881 0.000 0.198 136 E C 2.123 178.805 176.600 0.136 0.000 1.007 136 E CA 1.374 57.879 56.400 0.174 0.000 0.809 136 E CB -0.338 29.493 29.700 0.218 0.000 0.749 136 E HN 0.352 8.712 8.360 -0.000 0.000 0.450 137 K N 0.511 120.991 120.400 0.134 0.000 2.057 137 K HA -0.124 3.667 4.320 -0.881 0.000 0.207 137 K C 2.406 179.060 176.600 0.089 0.000 1.049 137 K CA 0.920 57.262 56.287 0.092 0.000 0.931 137 K CB -0.134 32.414 32.500 0.079 0.000 0.714 137 K HN 0.041 8.291 8.250 -0.000 0.000 0.440 138 L N 0.809 122.124 121.223 0.153 0.000 2.083 138 L HA -0.186 3.625 4.340 -0.881 0.000 0.209 138 L C 2.404 179.339 176.870 0.109 0.000 1.083 138 L CA 0.897 55.838 54.840 0.168 0.000 0.752 138 L CB -0.331 41.926 42.059 0.331 0.000 0.899 138 L HN 0.241 8.471 8.230 -0.000 0.000 0.433 139 L N -0.292 120.952 121.223 0.036 0.000 2.012 139 L HA -0.259 3.552 4.340 -0.881 0.000 0.210 139 L C 2.699 179.543 176.870 -0.043 0.000 1.073 139 L CA 1.523 56.247 54.840 -0.193 0.000 0.748 139 L CB -0.355 41.518 42.059 -0.310 0.000 0.891 139 L HN 0.230 8.460 8.230 -0.000 0.000 0.431 140 K N -0.009 120.402 120.400 0.019 0.000 2.063 140 K HA -0.230 3.561 4.320 -0.881 0.000 0.208 140 K C 2.024 178.658 176.600 0.058 0.000 1.048 140 K CA 1.452 57.771 56.287 0.053 0.000 0.928 140 K CB -0.133 32.388 32.500 0.035 0.000 0.713 140 K HN 0.266 8.516 8.250 -0.000 0.000 0.442 141 K N 0.533 120.952 120.400 0.030 0.000 2.280 141 K HA -0.130 3.661 4.320 -0.881 0.000 0.202 141 K C 1.259 177.876 176.600 0.028 0.000 1.047 141 K CA 0.954 57.252 56.287 0.018 0.000 0.942 141 K CB -0.078 32.412 32.500 -0.017 0.000 0.739 141 K HN 0.036 8.286 8.250 -0.000 0.000 0.457 142 N N 0.334 119.053 118.700 0.031 0.000 2.279 142 N HA -0.061 4.150 4.740 -0.881 0.000 0.226 142 N C 1.053 176.588 175.510 0.042 0.000 1.126 142 N CA -0.004 53.067 53.050 0.034 0.000 0.846 142 N CB 0.027 38.528 38.487 0.023 0.000 1.050 142 N HN 0.203 8.583 8.380 -0.000 0.000 0.502 143 H N -0.215 118.842 119.070 -0.022 0.000 2.352 143 H HA -0.128 3.899 4.556 -0.882 0.000 0.299 143 H C 1.240 176.544 175.328 -0.039 0.000 1.097 143 H CA 2.142 58.171 56.048 -0.032 0.000 1.311 143 H CB -0.040 29.709 29.762 -0.020 0.000 1.377 143 H HN 0.392 8.672 8.280 -0.000 0.000 0.504 144 T N -0.730 113.863 114.554 0.066 0.000 2.867 144 T HA -0.102 3.720 4.350 -0.881 0.000 0.268 144 T C 1.107 175.774 174.700 -0.056 0.000 1.057 144 T CA 0.466 62.577 62.100 0.017 0.000 1.136 144 T CB -0.326 68.587 68.868 0.075 0.000 0.874 144 T HN 0.180 8.420 8.240 -0.000 0.000 0.466 145 N N 3.426 122.108 118.700 -0.030 0.000 2.454 145 N HA 0.088 4.299 4.740 -0.881 0.000 0.285 145 N C -0.111 175.345 175.510 -0.090 0.000 1.233 145 N CA 0.080 53.121 53.050 -0.015 0.000 1.036 145 N CB -0.461 38.055 38.487 0.048 0.000 1.423 145 N HN 0.386 8.766 8.380 -0.000 0.000 0.495 146 N N 1.270 119.890 118.700 -0.133 0.000 1.800 146 N HA -0.246 3.965 4.740 -0.881 0.000 0.342 146 N C 0.831 176.087 175.510 -0.423 0.000 1.162 146 N CA 0.766 53.668 53.050 -0.246 0.000 0.836 146 N CB 0.441 38.823 38.487 -0.176 0.000 0.996 146 N HN 0.474 8.854 8.380 -0.000 0.000 0.510 147 N N 0.638 119.082 118.700 -0.427 0.000 2.282 147 N HA -0.018 4.193 4.740 -0.881 0.000 0.185 147 N C -0.040 175.223 175.510 -0.412 0.000 1.099 147 N CA 0.035 52.808 53.050 -0.461 0.000 0.878 147 N CB -0.180 38.104 38.487 -0.338 0.000 0.993 147 N HN 0.547 8.927 8.380 -0.000 0.000 0.481 148 N N 1.673 120.171 118.700 -0.336 0.000 2.818 148 N HA -0.104 4.107 4.740 -0.881 0.000 0.248 148 N C -0.673 174.660 175.510 -0.295 0.000 1.481 148 N CA 0.545 53.443 53.050 -0.252 0.000 0.973 148 N CB -0.725 37.655 38.487 -0.179 0.000 1.334 148 N HN 0.047 8.427 8.380 -0.000 0.000 0.535 149 D N -2.217 117.953 120.400 -0.383 0.000 3.046 149 D HA -0.196 3.916 4.640 -0.881 0.000 0.210 149 D C -0.746 175.169 176.300 -0.641 0.000 1.124 149 D CA 0.974 54.763 54.000 -0.352 0.000 0.986 149 D CB -1.306 39.420 40.800 -0.124 0.000 1.118 149 D HN 0.601 8.971 8.370 -0.000 0.000 0.416 150 K N -0.046 119.799 120.400 -0.926 0.000 2.206 150 K HA 0.502 4.294 4.320 -0.881 0.000 0.264 150 K C -0.784 174.869 176.600 -1.578 0.000 0.967 150 K CA -0.485 54.963 56.287 -1.398 0.000 0.844 150 K CB 1.267 33.267 32.500 -0.833 0.000 1.099 150 K HN -0.064 8.186 8.250 -0.000 0.000 0.441 151 Y N 2.233 121.626 120.300 -1.512 0.000 2.326 151 Y HA 0.338 4.359 4.550 -0.881 0.000 0.331 151 Y C -0.947 174.647 175.900 -0.511 0.000 0.962 151 Y CA -0.792 56.864 58.100 -0.741 0.000 1.167 151 Y CB 1.075 39.329 38.460 -0.344 0.000 1.148 151 Y HN 0.430 8.710 8.280 -0.000 0.000 0.463 152 Y N 1.514 121.857 120.300 0.071 0.000 2.499 152 Y HA 0.355 4.375 4.550 -0.882 0.000 0.347 152 Y C 0.131 176.017 175.900 -0.024 0.000 0.987 152 Y CA -1.897 56.283 58.100 0.133 0.000 1.044 152 Y CB 0.910 39.428 38.460 0.098 0.000 1.245 152 Y HN 0.548 8.828 8.280 -0.000 0.000 0.461 153 F N 0.139 120.222 119.950 0.223 0.000 2.367 153 F HA 0.097 4.100 4.527 -0.874 0.000 0.298 153 F C 0.306 176.150 175.800 0.073 0.000 1.094 153 F CA 0.805 58.849 58.000 0.075 0.000 1.409 153 F CB 0.382 39.383 39.000 0.003 0.000 1.064 153 F HN 0.082 8.382 8.300 -0.000 0.000 0.528 154 V N -0.553 119.516 119.914 0.259 0.000 2.569 154 V HA 0.648 4.239 4.120 -0.881 0.000 0.301 154 V C 0.387 176.551 176.094 0.115 0.000 1.044 154 V CA -0.695 61.706 62.300 0.169 0.000 0.874 154 V CB 0.713 32.623 31.823 0.146 0.000 1.002 154 V HN 0.446 8.636 8.190 -0.000 0.000 0.424 155 G N 4.912 113.775 108.800 0.105 0.000 2.575 155 G HA2 -0.264 3.168 3.960 -0.881 0.000 0.267 155 G HA3 -0.264 3.168 3.960 -0.881 0.000 0.267 155 G C 0.239 175.173 174.900 0.057 0.000 1.264 155 G CA 0.547 45.684 45.100 0.063 0.000 0.935 155 G HN 1.414 9.704 8.290 -0.000 0.000 0.568 156 N N 0.747 119.435 118.700 -0.020 0.000 2.291 156 N HA 0.178 4.390 4.740 -0.881 0.000 0.244 156 N C -0.087 175.219 175.510 -0.341 0.000 1.216 156 N CA 0.164 53.218 53.050 0.006 0.000 0.879 156 N CB -0.149 38.373 38.487 0.057 0.000 1.167 156 N HN 0.736 9.116 8.380 -0.000 0.000 0.515 157 N N 0.053 118.362 118.700 -0.651 0.000 2.284 157 N HA 0.329 4.540 4.740 -0.881 0.000 0.289 157 N C -1.160 173.781 175.510 -0.948 0.000 1.179 157 N CA -0.851 51.708 53.050 -0.820 0.000 0.774 157 N CB 2.546 40.862 38.487 -0.284 0.000 1.548 157 N HN 0.037 8.417 8.380 -0.000 0.000 0.473 158 L N 1.573 122.357 121.223 -0.731 0.000 2.514 158 L HA 0.190 4.002 4.340 -0.881 0.000 0.280 158 L C -0.069 176.725 176.870 -0.127 0.000 1.223 158 L CA 0.645 55.357 54.840 -0.213 0.000 0.864 158 L CB 0.247 42.280 42.059 -0.043 0.000 1.118 158 L HN 0.735 8.965 8.230 -0.000 0.000 0.494 159 T N 0.278 114.803 114.554 -0.049 0.000 2.887 159 T HA 0.284 4.105 4.350 -0.881 0.000 0.292 159 T C 0.622 175.273 174.700 -0.083 0.000 1.087 159 T CA -0.050 62.016 62.100 -0.057 0.000 1.009 159 T CB 0.827 69.632 68.868 -0.106 0.000 1.203 159 T HN 0.611 8.851 8.240 -0.000 0.000 0.518 160 Y N 0.277 120.512 120.300 -0.108 0.000 2.384 160 Y HA 0.150 4.168 4.550 -0.886 0.000 0.289 160 Y C 2.385 178.182 175.900 -0.170 0.000 1.152 160 Y CA 0.770 58.760 58.100 -0.182 0.000 1.258 160 Y CB -1.193 37.111 38.460 -0.260 0.000 0.979 160 Y HN 0.707 8.987 8.280 -0.000 0.000 0.549 161 A N 1.085 123.536 122.820 -0.616 0.000 1.933 161 A HA -0.188 3.603 4.320 -0.881 0.000 0.218 161 A C 1.945 179.452 177.584 -0.127 0.000 1.175 161 A CA 1.777 53.564 52.037 -0.418 0.000 0.628 161 A CB -0.779 17.976 19.000 -0.408 0.000 0.814 161 A HN 0.547 8.697 8.150 -0.000 0.000 0.444 162 D N 0.269 120.715 120.400 0.077 0.000 2.092 162 D HA -0.151 3.960 4.640 -0.881 0.000 0.193 162 D C 1.966 178.433 176.300 0.277 0.000 0.994 162 D CA 1.384 55.612 54.000 0.381 0.000 0.828 162 D CB -0.364 40.691 40.800 0.424 0.000 0.963 162 D HN 0.462 8.832 8.370 -0.000 0.000 0.450 163 L N 0.723 121.997 121.223 0.085 0.000 2.131 163 L HA -0.136 3.676 4.340 -0.881 0.000 0.210 163 L C 2.602 179.557 176.870 0.143 0.000 1.092 163 L CA 0.945 55.835 54.840 0.083 0.000 0.759 163 L CB -0.387 41.648 42.059 -0.041 0.000 0.903 163 L HN -0.032 8.198 8.230 -0.000 0.000 0.435 164 A N -0.334 122.513 122.820 0.045 0.000 1.898 164 A HA -0.116 3.675 4.320 -0.881 0.000 0.216 164 A C 2.342 179.943 177.584 0.028 0.000 1.181 164 A CA 1.523 53.595 52.037 0.057 0.000 0.620 164 A CB -0.709 18.323 19.000 0.055 0.000 0.819 164 A HN 0.165 8.315 8.150 -0.000 0.000 0.442 165 V N -1.018 118.871 119.914 -0.041 0.000 2.358 165 V HA -0.226 3.365 4.120 -0.881 0.000 0.246 165 V C 2.267 178.422 176.094 0.100 0.000 1.047 165 V CA 2.023 64.235 62.300 -0.146 0.000 1.035 165 V CB -0.959 30.674 31.823 -0.317 0.000 0.658 165 V HN 0.661 8.851 8.190 -0.000 0.000 0.452 166 F N 2.136 122.172 119.950 0.143 0.000 2.065 166 F HA -0.305 3.694 4.527 -0.879 0.000 0.298 166 F C 2.325 178.159 175.800 0.056 0.000 1.112 166 F CA 2.502 60.575 58.000 0.121 0.000 1.212 166 F CB -0.416 38.620 39.000 0.060 0.000 0.975 166 F HN 0.267 8.567 8.300 -0.000 0.000 0.476 167 N N 0.555 119.221 118.700 -0.055 0.000 2.166 167 N HA -0.212 3.999 4.740 -0.881 0.000 0.186 167 N C 1.779 177.133 175.510 -0.259 0.000 1.019 167 N CA 1.546 54.503 53.050 -0.155 0.000 0.856 167 N CB -0.474 38.080 38.487 0.111 0.000 0.993 167 N HN 0.441 8.821 8.380 -0.000 0.000 0.426 168 L N -0.352 120.685 121.223 -0.309 0.000 1.970 168 L HA -0.131 3.681 4.340 -0.881 0.000 0.212 168 L C 1.517 177.935 176.870 -0.753 0.000 1.071 168 L CA 1.804 56.218 54.840 -0.710 0.000 0.751 168 L CB -1.027 40.605 42.059 -0.712 0.000 0.889 168 L HN 0.271 8.501 8.230 -0.000 0.000 0.432 169 Y N -0.756 119.309 120.300 -0.393 0.000 2.519 169 Y HA -0.091 3.935 4.550 -0.873 0.000 0.287 169 Y C 2.264 177.950 175.900 -0.356 0.000 1.128 169 Y CA 0.997 58.903 58.100 -0.324 0.000 1.282 169 Y CB -0.302 38.045 38.460 -0.188 0.000 1.027 169 Y HN 0.404 8.684 8.280 -0.000 0.000 0.551 170 D N 0.293 120.430 120.400 -0.439 0.000 2.097 170 D HA -0.212 3.900 4.640 -0.881 0.000 0.195 170 D C 1.770 177.909 176.300 -0.268 0.000 0.989 170 D CA 1.723 55.442 54.000 -0.468 0.000 0.827 170 D CB -0.071 40.213 40.800 -0.860 0.000 0.966 170 D HN 0.140 8.510 8.370 -0.000 0.000 0.456 171 D N -0.730 119.491 120.400 -0.298 0.000 2.097 171 D HA -0.077 4.034 4.640 -0.881 0.000 0.197 171 D C 2.141 178.207 176.300 -0.390 0.000 0.984 171 D CA 0.768 54.635 54.000 -0.222 0.000 0.826 171 D CB -0.138 40.572 40.800 -0.151 0.000 0.973 171 D HN 0.331 8.701 8.370 -0.000 0.000 0.460 172 I N 0.519 120.706 120.570 -0.640 0.000 2.252 172 I HA -0.172 3.469 4.170 -0.881 0.000 0.245 172 I C 2.207 178.270 176.117 -0.089 0.000 1.102 172 I CA 0.908 61.849 61.300 -0.598 0.000 1.385 172 I CB -0.195 37.505 38.000 -0.499 0.000 1.064 172 I HN 0.021 8.231 8.210 -0.000 0.000 0.414 173 E N 0.311 120.486 120.200 -0.042 0.000 2.209 173 E HA -0.232 3.590 4.350 -0.881 0.000 0.196 173 E C 2.150 178.759 176.600 0.014 0.000 0.993 173 E CA 1.884 58.307 56.400 0.038 0.000 0.819 173 E CB -0.096 29.621 29.700 0.029 0.000 0.745 173 E HN 0.649 9.009 8.360 -0.000 0.000 0.477 174 T N -0.050 114.489 114.554 -0.024 0.000 2.674 174 T HA -0.141 3.681 4.350 -0.881 0.000 0.265 174 T C 1.760 176.431 174.700 -0.048 0.000 1.039 174 T CA 0.788 62.878 62.100 -0.018 0.000 1.150 174 T CB -0.037 68.828 68.868 -0.005 0.000 0.864 174 T HN -0.056 8.184 8.240 -0.000 0.000 0.427 175 K N 0.994 121.333 120.400 -0.101 0.000 2.076 175 K HA 0.056 3.848 4.320 -0.881 0.000 0.204 175 K C 0.235 176.568 176.600 -0.444 0.000 1.051 175 K CA 0.962 57.033 56.287 -0.360 0.000 0.949 175 K CB -0.200 31.944 32.500 -0.594 0.000 0.726 175 K HN 0.616 8.866 8.250 -0.000 0.000 0.443 176 Y N 1.188 121.571 120.300 0.139 0.000 2.658 176 Y HA 0.210 4.229 4.550 -0.885 0.000 0.362 176 Y C -1.733 174.223 175.900 0.093 0.000 1.017 176 Y CA -2.043 56.134 58.100 0.129 0.000 1.134 176 Y CB 1.088 39.654 38.460 0.178 0.000 1.144 176 Y HN 0.001 8.281 8.280 -0.000 0.000 0.655 177 P HA -0.193 4.227 4.420 -0.000 0.000 0.219 177 P C 1.264 178.632 177.300 0.113 0.000 1.146 177 P CA 1.600 64.765 63.100 0.108 0.000 0.808 177 P CB 0.279 32.020 31.700 0.069 0.000 0.779 178 S N -1.137 114.640 115.700 0.128 0.000 2.634 178 S HA 0.054 3.996 4.470 -0.881 0.000 0.221 178 S C 1.737 176.409 174.600 0.121 0.000 0.952 178 S CA 0.311 58.572 58.200 0.102 0.000 0.930 178 S CB -1.108 62.140 63.200 0.080 0.000 0.780 178 S HN 0.213 8.523 8.310 -0.000 0.000 0.498 179 S N 1.847 117.644 115.700 0.163 0.000 2.419 179 S HA 0.075 4.016 4.470 -0.881 0.000 0.233 179 S C 1.342 176.070 174.600 0.214 0.000 1.016 179 S CA 0.569 58.881 58.200 0.187 0.000 0.974 179 S CB -0.724 62.612 63.200 0.227 0.000 0.786 179 S HN 0.606 8.916 8.310 -0.000 0.000 0.492 180 L N 1.564 122.880 121.223 0.156 0.000 2.685 180 L HA 0.278 4.089 4.340 -0.881 0.000 0.233 180 L C 2.144 179.090 176.870 0.127 0.000 1.173 180 L CA -0.055 54.884 54.840 0.164 0.000 0.961 180 L CB -0.107 41.959 42.059 0.012 0.000 1.217 180 L HN 0.469 8.699 8.230 -0.000 0.000 0.478 181 K N -1.031 119.413 120.400 0.074 0.000 2.288 181 K HA -0.063 3.728 4.320 -0.881 0.000 0.201 181 K C 0.907 177.441 176.600 -0.109 0.000 1.048 181 K CA 1.009 57.291 56.287 -0.009 0.000 0.956 181 K CB 0.015 32.511 32.500 -0.007 0.000 0.746 181 K HN 0.217 8.467 8.250 -0.000 0.000 0.461 182 N N 0.207 118.759 118.700 -0.248 0.000 2.336 182 N HA 0.077 4.288 4.740 -0.881 0.000 0.189 182 N C -0.898 174.071 175.510 -0.901 0.000 1.113 182 N CA 0.308 52.999 53.050 -0.598 0.000 0.858 182 N CB 0.348 38.360 38.487 -0.791 0.000 0.970 182 N HN 0.160 8.540 8.380 -0.000 0.000 0.471 183 F N -0.134 119.775 119.950 -0.069 0.000 2.660 183 F HA 0.379 4.381 4.527 -0.876 0.000 0.352 183 F C -1.792 173.950 175.800 -0.097 0.000 1.257 183 F CA -1.825 56.126 58.000 -0.083 0.000 1.200 183 F CB 1.987 40.923 39.000 -0.106 0.000 1.473 183 F HN -0.175 8.125 8.300 -0.000 0.000 0.561 184 P HA -0.117 4.303 4.420 -0.000 0.000 0.218 184 P C 1.845 179.094 177.300 -0.085 0.000 1.149 184 P CA 1.247 64.323 63.100 -0.041 0.000 0.817 184 P CB 0.496 32.166 31.700 -0.049 0.000 0.785 185 L N -1.605 119.572 121.223 -0.077 0.000 2.072 185 L HA -0.116 3.696 4.340 -0.881 0.000 0.205 185 L C 2.272 179.016 176.870 -0.210 0.000 1.079 185 L CA 0.851 55.583 54.840 -0.181 0.000 0.752 185 L CB -0.801 41.213 42.059 -0.076 0.000 0.906 185 L HN -0.009 8.221 8.230 -0.000 0.000 0.436 186 L N 0.308 121.484 121.223 -0.078 0.000 2.046 186 L HA -0.232 3.579 4.340 -0.881 0.000 0.208 186 L C 2.504 179.336 176.870 -0.064 0.000 1.077 186 L CA 1.805 56.605 54.840 -0.067 0.000 0.747 186 L CB -0.569 41.422 42.059 -0.113 0.000 0.896 186 L HN 0.123 8.353 8.230 -0.000 0.000 0.432 187 K N -1.041 119.317 120.400 -0.071 0.000 2.025 187 K HA -0.132 3.660 4.320 -0.881 0.000 0.207 187 K C 2.018 178.572 176.600 -0.076 0.000 1.049 187 K CA 1.218 57.475 56.287 -0.051 0.000 0.933 187 K CB -0.190 32.293 32.500 -0.028 0.000 0.714 187 K HN 0.391 8.641 8.250 -0.000 0.000 0.438 188 A N 0.611 123.313 122.820 -0.197 0.000 1.877 188 A HA -0.250 3.542 4.320 -0.881 0.000 0.216 188 A C 1.933 179.332 177.584 -0.309 0.000 1.186 188 A CA 2.078 53.922 52.037 -0.321 0.000 0.620 188 A CB -1.114 17.503 19.000 -0.638 0.000 0.822 188 A HN 0.639 8.789 8.150 -0.000 0.000 0.443 189 H N 0.218 119.002 119.070 -0.477 0.000 2.292 189 H HA -0.246 3.781 4.556 -0.881 0.000 0.292 189 H C 2.018 177.419 175.328 0.122 0.000 1.100 189 H CA 2.533 58.506 56.048 -0.126 0.000 1.238 189 H CB -0.340 29.355 29.762 -0.113 0.000 1.355 189 H HN 0.564 8.844 8.280 -0.000 0.000 0.484 190 N N -0.311 118.448 118.700 0.098 0.000 2.166 190 N HA -0.129 4.082 4.740 -0.881 0.000 0.186 190 N C 1.754 177.358 175.510 0.158 0.000 1.019 190 N CA 1.643 54.808 53.050 0.192 0.000 0.856 190 N CB -0.008 38.593 38.487 0.190 0.000 0.993 190 N HN 0.595 8.975 8.380 -0.000 0.000 0.426 191 E N -0.924 119.329 120.200 0.087 0.000 2.072 191 E HA -0.151 3.670 4.350 -0.881 0.000 0.190 191 E C 1.537 178.174 176.600 0.062 0.000 0.982 191 E CA 0.750 57.197 56.400 0.078 0.000 0.803 191 E CB -0.237 29.499 29.700 0.060 0.000 0.755 191 E HN 0.392 8.752 8.360 -0.000 0.000 0.453 192 F N 2.101 122.005 119.950 -0.077 0.000 2.065 192 F HA -0.256 3.742 4.527 -0.882 0.000 0.298 192 F C 1.944 177.653 175.800 -0.151 0.000 1.112 192 F CA 1.286 59.237 58.000 -0.080 0.000 1.212 192 F CB -0.168 38.807 39.000 -0.042 0.000 0.975 192 F HN -0.075 8.225 8.300 -0.000 0.000 0.476 193 I N 0.781 121.068 120.570 -0.472 0.000 2.226 193 I HA -0.259 3.382 4.170 -0.881 0.000 0.245 193 I C 2.711 178.435 176.117 -0.656 0.000 1.100 193 I CA 1.827 62.723 61.300 -0.673 0.000 1.374 193 I CB -2.016 35.655 38.000 -0.549 0.000 1.057 193 I HN 0.390 8.600 8.210 -0.000 0.000 0.413 194 S N 0.272 115.677 115.700 -0.491 0.000 2.474 194 S HA -0.097 3.844 4.470 -0.881 0.000 0.235 194 S C 1.408 175.884 174.600 -0.206 0.000 0.997 194 S CA 1.049 59.020 58.200 -0.381 0.000 0.949 194 S CB -0.726 62.503 63.200 0.048 0.000 0.766 194 S HN 0.523 8.833 8.310 -0.000 0.000 0.517 195 N N 0.325 118.902 118.700 -0.204 0.000 2.236 195 N HA 0.358 4.570 4.740 -0.881 0.000 0.196 195 N C -0.550 174.863 175.510 -0.163 0.000 1.114 195 N CA -0.210 52.764 53.050 -0.127 0.000 0.859 195 N CB 0.083 38.536 38.487 -0.057 0.000 0.982 195 N HN 0.333 8.713 8.380 -0.000 0.000 0.493 196 L N 1.738 122.797 121.223 -0.274 0.000 2.540 196 L HA 0.036 3.847 4.340 -0.881 0.000 0.276 196 L C -1.228 175.582 176.870 -0.100 0.000 1.212 196 L CA -1.148 53.572 54.840 -0.200 0.000 0.893 196 L CB 0.429 42.364 42.059 -0.206 0.000 1.138 196 L HN -0.054 8.176 8.230 -0.000 0.000 0.491 197 P HA -0.200 4.220 4.420 -0.000 0.000 0.215 197 P C 0.853 178.137 177.300 -0.026 0.000 1.163 197 P CA 1.659 64.736 63.100 -0.037 0.000 0.894 197 P CB 0.069 31.749 31.700 -0.033 0.000 0.791 198 N N -0.966 117.715 118.700 -0.032 0.000 2.166 198 N HA -0.108 4.103 4.740 -0.881 0.000 0.186 198 N C 1.722 177.255 175.510 0.039 0.000 1.019 198 N CA 0.750 53.792 53.050 -0.014 0.000 0.856 198 N CB -0.387 38.055 38.487 -0.075 0.000 0.993 198 N HN 0.137 8.517 8.380 -0.000 0.000 0.426 199 I N 1.047 121.625 120.570 0.014 0.000 2.233 199 I HA -0.203 3.438 4.170 -0.881 0.000 0.243 199 I C 2.425 178.559 176.117 0.029 0.000 1.093 199 I CA 0.851 62.153 61.300 0.004 0.000 1.380 199 I CB -0.120 37.774 38.000 -0.176 0.000 1.067 199 I HN 0.031 8.241 8.210 -0.000 0.000 0.413 200 K N 1.342 121.726 120.400 -0.027 0.000 2.034 200 K HA -0.301 3.491 4.320 -0.881 0.000 0.214 200 K C 1.986 178.603 176.600 0.029 0.000 1.051 200 K CA 2.267 58.551 56.287 -0.005 0.000 0.931 200 K CB -0.320 32.166 32.500 -0.022 0.000 0.715 200 K HN 0.333 8.583 8.250 -0.000 0.000 0.446 201 N N -0.827 117.895 118.700 0.037 0.000 2.084 201 N HA -0.250 3.962 4.740 -0.881 0.000 0.190 201 N C 2.027 177.578 175.510 0.069 0.000 1.030 201 N CA 1.498 54.573 53.050 0.042 0.000 0.849 201 N CB -0.205 38.306 38.487 0.039 0.000 1.012 201 N HN 0.363 8.743 8.380 -0.000 0.000 0.423 202 Y N 1.312 121.618 120.300 0.009 0.000 2.181 202 Y HA -0.087 3.934 4.550 -0.882 0.000 0.288 202 Y C 2.164 178.089 175.900 0.042 0.000 1.146 202 Y CA 1.390 59.508 58.100 0.031 0.000 1.164 202 Y CB -0.181 38.310 38.460 0.051 0.000 0.982 202 Y HN 0.069 8.349 8.280 -0.000 0.000 0.515 203 I N 0.040 120.599 120.570 -0.020 0.000 2.353 203 I HA -0.270 3.371 4.170 -0.881 0.000 0.248 203 I C 2.511 178.569 176.117 -0.098 0.000 1.119 203 I CA 1.695 62.949 61.300 -0.077 0.000 1.417 203 I CB -0.533 37.541 38.000 0.123 0.000 1.078 203 I HN 0.416 8.626 8.210 -0.000 0.000 0.421 204 T N -1.879 112.642 114.554 -0.054 0.000 2.777 204 T HA -0.176 3.645 4.350 -0.881 0.000 0.266 204 T C 1.666 176.318 174.700 -0.080 0.000 1.040 204 T CA 1.663 63.735 62.100 -0.046 0.000 1.141 204 T CB -0.558 68.297 68.868 -0.021 0.000 0.868 204 T HN 0.174 8.414 8.240 -0.000 0.000 0.444 205 N N 0.992 119.627 118.700 -0.109 0.000 2.494 205 N HA 0.048 4.260 4.740 -0.881 0.000 0.182 205 N C 0.710 176.112 175.510 -0.180 0.000 1.076 205 N CA -0.109 52.871 53.050 -0.117 0.000 0.908 205 N CB -0.338 38.097 38.487 -0.086 0.000 0.967 205 N HN 0.486 8.866 8.380 -0.000 0.000 0.449 206 R N 1.378 121.703 120.500 -0.291 0.000 2.537 206 R HA -0.010 3.801 4.340 -0.881 0.000 0.280 206 R C -0.091 176.111 176.300 -0.164 0.000 1.058 206 R CA -0.395 55.505 56.100 -0.334 0.000 1.057 206 R CB 0.439 30.443 30.300 -0.493 0.000 0.973 206 R HN 0.132 8.402 8.270 -0.000 0.000 0.438 207 K N 2.595 122.924 120.400 -0.119 0.000 2.319 207 K HA 0.037 3.828 4.320 -0.881 0.000 0.265 207 K C -0.424 176.142 176.600 -0.057 0.000 1.000 207 K CA -0.433 55.812 56.287 -0.070 0.000 0.943 207 K CB 0.794 33.264 32.500 -0.050 0.000 0.950 207 K HN 0.578 8.828 8.250 -0.000 0.000 0.485 208 E N 0.638 120.813 120.200 -0.041 0.000 2.373 208 E HA 0.093 3.914 4.350 -0.881 0.000 0.263 208 E C -0.932 175.650 176.600 -0.031 0.000 1.073 208 E CA -0.344 56.037 56.400 -0.030 0.000 0.894 208 E CB 0.902 30.590 29.700 -0.021 0.000 1.008 208 E HN 0.740 9.100 8.360 -0.000 0.000 0.420 209 S N 0.826 116.508 115.700 -0.030 0.000 2.607 209 S HA 0.241 4.182 4.470 -0.881 0.000 0.273 209 S C 0.370 174.959 174.600 -0.018 0.000 1.148 209 S CA -0.858 57.313 58.200 -0.048 0.000 0.833 209 S CB 1.411 64.545 63.200 -0.109 0.000 1.130 209 S HN 0.240 8.550 8.310 -0.000 0.000 0.470 210 V N 0.394 120.310 119.914 0.002 0.000 2.453 210 V HA 0.127 3.719 4.120 -0.881 0.000 0.247 210 V C 0.574 176.769 176.094 0.167 0.000 1.048 210 V CA 1.861 64.209 62.300 0.080 0.000 1.049 210 V CB -1.520 30.382 31.823 0.131 0.000 0.672 210 V HN 0.893 9.083 8.190 -0.000 0.000 0.457 211 Y N 0.000 120.295 120.300 -0.008 0.000 2.660 211 Y HA 0.000 4.022 4.550 -0.879 0.000 0.201 211 Y CA 0.000 58.112 58.100 0.021 0.000 1.940 211 Y CB 0.000 38.441 38.460 -0.031 0.000 1.050 211 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758