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 2avx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSDKDFFSWR RTMLLRFQRM ETAEEVYHEI ELQAQQLEYD YYSLCVRHPV DATA SEQUENCE PFTRPKVAFY TNYPEAWVSY YQAKNFLAID PVLNPENFSQ GHLMWNDDLF DATA SEQUENCE SEAQPLWEAA RAHGLRRGVT QYLMLPERAL GFLSFSRCSA REIPILSDEL DATA SEQUENCE QLKMQLLVRE SLMALMRLND E 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 M HA 0.000 4.459 4.480 -0.035 0.000 0.227 1 M C 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 S N 3.674 119.341 115.700 -0.055 0.000 2.885 2 S HA 0.217 4.669 4.470 -0.030 0.000 0.238 2 S C -0.791 173.763 174.600 -0.076 0.000 0.766 2 S CA 0.419 58.590 58.200 -0.049 0.000 1.089 2 S CB 0.659 63.839 63.200 -0.034 0.000 1.396 2 S HN 0.972 9.601 8.310 -0.091 -0.374 0.509 3 D N -1.060 119.282 120.400 -0.097 0.000 3.046 3 D HA -0.296 4.334 4.640 -0.017 0.000 0.210 3 D C -0.511 175.619 176.300 -0.282 0.000 1.124 3 D CA 1.833 55.785 54.000 -0.079 0.000 0.986 3 D CB -1.223 39.584 40.800 0.012 0.000 1.118 3 D HN 0.353 8.677 8.370 -0.077 0.000 0.416 4 K N -3.640 116.478 120.400 -0.469 0.000 2.586 4 K HA 0.116 4.151 4.320 -0.474 0.000 0.198 4 K C -0.255 176.100 176.600 -0.409 0.000 1.170 4 K CA -0.080 55.959 56.287 -0.413 0.000 1.069 4 K CB 1.174 33.612 32.500 -0.104 0.000 0.944 4 K HN -0.340 7.637 8.250 -0.330 0.074 0.572 5 D N 1.224 121.257 120.400 -0.612 0.000 2.178 5 D HA -0.206 4.379 4.640 -0.092 0.000 0.202 5 D C 1.696 177.929 176.300 -0.112 0.000 0.974 5 D CA 3.557 57.401 54.000 -0.260 0.000 0.841 5 D CB -0.598 40.101 40.800 -0.169 0.000 0.953 5 D HN 0.227 8.144 8.370 -0.756 0.000 0.478 6 F N -1.785 118.259 119.950 0.157 0.000 2.186 6 F HA -0.169 4.425 4.527 0.111 0.000 0.299 6 F C 1.627 177.548 175.800 0.202 0.000 1.090 6 F CA 1.611 59.689 58.000 0.129 0.000 1.307 6 F CB -1.098 37.926 39.000 0.039 0.000 1.019 6 F HN -0.308 7.022 8.300 -1.590 0.017 0.489 7 F N 1.450 121.520 119.950 0.201 0.000 2.134 7 F HA -0.359 4.303 4.527 0.224 0.000 0.299 7 F C 1.552 177.425 175.800 0.122 0.000 1.097 7 F CA 2.723 60.825 58.000 0.170 0.000 1.264 7 F CB -0.116 38.945 39.000 0.101 0.000 1.001 7 F HN -0.442 7.853 8.300 0.150 0.094 0.479 8 S N 0.132 115.791 115.700 -0.068 0.000 2.383 8 S HA -0.350 3.862 4.470 -0.431 0.000 0.227 8 S C 1.982 176.546 174.600 -0.060 0.000 1.026 8 S CA 3.180 61.281 58.200 -0.164 0.000 0.981 8 S CB -0.284 62.914 63.200 -0.004 0.000 0.818 8 S HN 0.228 8.616 8.310 0.131 0.000 0.472 9 W N 2.182 123.425 121.300 -0.096 0.000 2.358 9 W HA -0.277 4.347 4.660 -0.060 0.000 0.303 9 W C 1.095 177.579 176.519 -0.058 0.000 1.208 9 W CA 3.980 61.296 57.345 -0.049 0.000 1.274 9 W CB -0.138 29.334 29.460 0.019 0.000 1.138 9 W HN -0.058 8.206 8.180 0.274 0.081 0.515 10 R N -0.577 120.071 120.500 0.246 0.000 2.081 10 R HA -0.508 3.986 4.340 0.256 0.000 0.235 10 R C 2.206 178.483 176.300 -0.039 0.000 1.131 10 R CA 4.045 60.226 56.100 0.135 0.000 0.960 10 R CB -0.175 30.192 30.300 0.112 0.000 0.856 10 R HN -0.219 8.119 8.270 0.241 0.076 0.436 11 R N -1.260 119.087 120.500 -0.256 0.000 2.081 11 R HA -0.293 3.910 4.340 -0.228 0.000 0.235 11 R C 2.362 178.567 176.300 -0.159 0.000 1.131 11 R CA 3.553 59.480 56.100 -0.288 0.000 0.960 11 R CB -0.263 29.727 30.300 -0.516 0.000 0.856 11 R HN 0.275 8.142 8.270 -0.380 0.175 0.436 12 T N 2.152 116.604 114.554 -0.169 0.000 2.708 12 T HA -0.355 3.896 4.350 -0.164 0.000 0.266 12 T C 2.102 176.699 174.700 -0.170 0.000 1.037 12 T CA 4.811 66.799 62.100 -0.188 0.000 1.146 12 T CB -0.308 68.395 68.868 -0.275 0.000 0.865 12 T HN 0.212 8.235 8.240 -0.183 0.107 0.435 13 M N 2.035 121.561 119.600 -0.124 0.000 2.132 13 M HA -0.205 4.136 4.480 -0.232 0.000 0.263 13 M C 1.804 178.192 176.300 0.145 0.000 1.065 13 M CA 2.455 57.723 55.300 -0.053 0.000 1.122 13 M CB -0.535 32.137 32.600 0.119 0.000 1.365 13 M HN -0.130 8.097 8.290 -0.104 0.000 0.411 14 L N -0.350 120.966 121.223 0.155 0.000 2.042 14 L HA -0.368 4.139 4.340 0.278 0.000 0.210 14 L C 2.438 179.367 176.870 0.099 0.000 1.076 14 L CA 3.259 58.195 54.840 0.160 0.000 0.749 14 L CB -0.408 41.685 42.059 0.058 0.000 0.893 14 L HN 0.413 8.692 8.230 0.083 0.000 0.432 15 L N -1.613 119.617 121.223 0.012 0.000 2.017 15 L HA -0.380 3.960 4.340 -0.001 0.000 0.208 15 L C 2.037 178.889 176.870 -0.030 0.000 1.073 15 L CA 3.385 58.214 54.840 -0.018 0.000 0.745 15 L CB -0.962 41.063 42.059 -0.056 0.000 0.894 15 L HN -0.059 8.159 8.230 -0.021 0.000 0.432 16 R N -1.315 119.131 120.500 -0.090 0.000 2.081 16 R HA -0.412 3.845 4.340 -0.139 0.000 0.235 16 R C 2.770 178.995 176.300 -0.125 0.000 1.131 16 R CA 3.760 59.759 56.100 -0.168 0.000 0.960 16 R CB -0.139 29.974 30.300 -0.310 0.000 0.856 16 R HN -0.176 8.028 8.270 -0.109 0.000 0.436 17 F N -2.475 117.449 119.950 -0.043 0.000 2.216 17 F HA -0.301 4.214 4.527 -0.020 0.000 0.300 17 F C 1.838 177.628 175.800 -0.017 0.000 1.085 17 F CA 3.841 61.827 58.000 -0.022 0.000 1.326 17 F CB -0.292 38.702 39.000 -0.010 0.000 1.027 17 F HN 0.302 8.524 8.300 0.052 0.109 0.497 18 Q N -1.975 117.920 119.800 0.158 0.000 2.123 18 Q HA -0.235 4.157 4.340 0.085 0.000 0.199 18 Q C 2.632 178.659 176.000 0.044 0.000 0.966 18 Q CA 2.764 58.616 55.803 0.081 0.000 0.845 18 Q CB 0.226 28.996 28.738 0.052 0.000 0.907 18 Q HN -0.462 7.900 8.270 0.152 0.000 0.439 19 R N -2.179 118.330 120.500 0.016 0.000 2.280 19 R HA -0.152 4.185 4.340 -0.004 0.000 0.207 19 R C 1.686 177.980 176.300 -0.010 0.000 1.043 19 R CA 0.765 56.859 56.100 -0.009 0.000 1.006 19 R CB -0.612 29.665 30.300 -0.037 0.000 0.885 19 R HN -0.062 8.144 8.270 0.010 0.071 0.467 20 M N -1.843 117.761 119.600 0.007 0.000 2.106 20 M HA -0.262 4.209 4.480 -0.016 0.000 0.259 20 M C 0.699 177.010 176.300 0.019 0.000 1.068 20 M CA 0.900 56.208 55.300 0.013 0.000 1.100 20 M CB -0.654 31.983 32.600 0.062 0.000 1.351 20 M HN -0.455 7.812 8.290 0.024 0.037 0.404 21 E N -5.485 114.732 120.200 0.028 0.000 3.870 21 E HA -0.347 4.017 4.350 0.023 0.000 0.329 21 E C -1.578 175.040 176.600 0.029 0.000 0.702 21 E CA 2.049 58.462 56.400 0.022 0.000 1.174 21 E CB -0.713 28.992 29.700 0.009 0.000 1.619 21 E HN -0.217 8.142 8.360 0.035 0.022 0.441 22 T N -7.951 106.628 114.554 0.042 0.000 2.900 22 T HA 0.169 4.545 4.350 0.044 0.000 0.303 22 T C -0.190 174.559 174.700 0.082 0.000 1.142 22 T CA -2.193 59.936 62.100 0.049 0.000 1.007 22 T CB 2.830 71.718 68.868 0.034 0.000 1.156 22 T HN -0.786 7.367 8.240 0.047 0.115 0.490 23 A N 3.263 126.140 122.820 0.094 0.000 1.972 23 A HA -0.281 4.129 4.320 0.151 0.000 0.219 23 A C 1.824 179.539 177.584 0.219 0.000 1.169 23 A CA 3.107 55.230 52.037 0.144 0.000 0.635 23 A CB -0.515 18.561 19.000 0.126 0.000 0.810 23 A HN 0.635 8.829 8.150 0.074 0.000 0.446 24 E N -1.753 118.545 120.200 0.163 0.000 2.051 24 E HA -0.355 4.258 4.350 0.438 0.000 0.192 24 E C 2.431 179.061 176.600 0.050 0.000 0.991 24 E CA 3.339 59.851 56.400 0.185 0.000 0.799 24 E CB -0.399 29.329 29.700 0.046 0.000 0.748 24 E HN 0.351 8.745 8.360 0.099 0.025 0.449 25 E N -0.089 120.131 120.200 0.035 0.000 2.152 25 E HA -0.252 4.103 4.350 0.008 0.000 0.192 25 E C 2.311 178.925 176.600 0.024 0.000 0.983 25 E CA 2.563 58.970 56.400 0.012 0.000 0.818 25 E CB 0.220 29.926 29.700 0.010 0.000 0.758 25 E HN -0.527 7.862 8.360 0.047 0.000 0.467 26 V N -0.204 119.787 119.914 0.128 0.000 2.233 26 V HA -0.461 3.854 4.120 0.325 0.000 0.247 26 V C 1.968 178.224 176.094 0.270 0.000 1.050 26 V CA 4.522 66.983 62.300 0.268 0.000 1.010 26 V CB -0.474 31.523 31.823 0.291 0.000 0.637 26 V HN -0.563 7.710 8.190 0.138 0.000 0.444 27 Y N -1.844 118.562 120.300 0.176 0.000 2.263 27 Y HA -0.351 4.323 4.550 0.207 0.000 0.292 27 Y C 1.306 177.283 175.900 0.128 0.000 1.130 27 Y CA 2.299 60.503 58.100 0.174 0.000 1.179 27 Y CB -0.720 37.852 38.460 0.187 0.000 0.998 27 Y HN -0.418 8.084 8.280 0.371 0.000 0.532 28 H N 1.029 119.495 119.070 -1.007 0.000 2.352 28 H HA -0.502 3.358 4.556 -1.159 0.000 0.299 28 H C 1.917 176.975 175.328 -0.449 0.000 1.097 28 H CA 3.407 58.922 56.048 -0.887 0.000 1.311 28 H CB 0.420 29.777 29.762 -0.674 0.000 1.377 28 H HN 0.192 8.076 8.280 -0.660 0.000 0.504 29 E N -0.530 119.487 120.200 -0.305 0.000 2.058 29 E HA -0.346 3.758 4.350 -0.410 0.000 0.194 29 E C 2.436 178.916 176.600 -0.200 0.000 0.997 29 E CA 3.002 59.217 56.400 -0.308 0.000 0.801 29 E CB -0.924 28.587 29.700 -0.314 0.000 0.746 29 E HN 0.076 8.324 8.360 -0.187 0.000 0.450 30 I N -4.840 115.724 120.570 -0.010 0.000 2.394 30 I HA -0.219 4.041 4.170 0.150 0.000 0.251 30 I C 1.792 177.954 176.117 0.076 0.000 1.136 30 I CA 3.023 64.419 61.300 0.159 0.000 1.425 30 I CB -0.334 37.882 38.000 0.359 0.000 1.079 30 I HN -0.890 7.350 8.210 0.049 0.000 0.425 31 E N 0.086 120.228 120.200 -0.095 0.000 2.112 31 E HA -0.223 4.069 4.350 -0.097 0.000 0.190 31 E C 2.715 179.061 176.600 -0.423 0.000 0.979 31 E CA 2.523 58.733 56.400 -0.317 0.000 0.814 31 E CB -0.207 28.998 29.700 -0.825 0.000 0.762 31 E HN -0.569 7.691 8.360 -0.139 0.017 0.460 32 L N -0.233 120.732 121.223 -0.431 0.000 2.131 32 L HA -0.413 3.760 4.340 -0.277 0.000 0.210 32 L C 1.954 178.644 176.870 -0.300 0.000 1.092 32 L CA 3.382 58.006 54.840 -0.360 0.000 0.759 32 L CB -0.545 41.235 42.059 -0.465 0.000 0.903 32 L HN 0.532 8.478 8.230 -0.473 0.000 0.435 33 Q N -1.743 117.875 119.800 -0.303 0.000 2.170 33 Q HA -0.367 3.842 4.340 -0.220 0.000 0.203 33 Q C 1.518 177.223 176.000 -0.492 0.000 0.976 33 Q CA 2.954 58.584 55.803 -0.288 0.000 0.858 33 Q CB -0.025 28.624 28.738 -0.148 0.000 0.907 33 Q HN -0.183 7.822 8.270 -0.276 0.099 0.433 34 A N -1.135 121.222 122.820 -0.771 0.000 1.872 34 A HA -0.171 3.448 4.320 -1.168 0.000 0.214 34 A C 2.294 179.627 177.584 -0.418 0.000 1.187 34 A CA 2.634 54.120 52.037 -0.920 0.000 0.614 34 A CB -0.545 17.757 19.000 -1.164 0.000 0.826 34 A HN -0.753 6.840 8.150 -0.726 0.121 0.442 35 Q N -2.571 117.103 119.800 -0.210 0.000 2.170 35 Q HA -0.348 3.999 4.340 0.011 0.000 0.203 35 Q C 3.229 179.181 176.000 -0.080 0.000 0.976 35 Q CA 3.006 58.778 55.803 -0.052 0.000 0.858 35 Q CB -0.408 28.354 28.738 0.040 0.000 0.907 35 Q HN -0.310 7.818 8.270 -0.237 0.000 0.433 36 Q N -0.474 119.242 119.800 -0.139 0.000 2.234 36 Q HA -0.219 4.076 4.340 -0.076 0.000 0.206 36 Q C 1.479 177.429 176.000 -0.082 0.000 0.980 36 Q CA 2.469 58.208 55.803 -0.108 0.000 0.869 36 Q CB -0.253 28.409 28.738 -0.127 0.000 0.912 36 Q HN 0.158 8.210 8.270 -0.195 0.101 0.436 37 L N -4.603 116.548 121.223 -0.120 0.000 2.607 37 L HA 0.109 4.448 4.340 -0.002 0.000 0.228 37 L C -0.868 176.065 176.870 0.105 0.000 1.123 37 L CA -0.483 54.336 54.840 -0.035 0.000 0.890 37 L CB 0.392 42.335 42.059 -0.193 0.000 1.103 37 L HN -0.744 7.210 8.230 -0.210 0.151 0.468 38 E N -5.120 115.118 120.200 0.063 0.000 2.476 38 E HA -0.482 3.958 4.350 0.046 -0.062 0.251 38 E C -0.309 176.379 176.600 0.147 0.000 1.130 38 E CA 0.863 57.309 56.400 0.076 0.000 0.736 38 E CB -2.845 26.880 29.700 0.042 0.000 1.298 38 E HN -0.234 7.922 8.360 -0.000 0.203 0.400 39 Y N -2.120 118.148 120.300 -0.052 0.000 2.070 39 Y HA -0.384 4.145 4.550 -0.036 0.000 0.280 39 Y C 0.773 176.638 175.900 -0.058 0.000 1.148 39 Y CA 3.294 61.369 58.100 -0.042 0.000 1.125 39 Y CB 0.388 38.830 38.460 -0.030 0.000 0.975 39 Y HN -0.884 7.538 8.280 0.262 0.015 0.492 40 D N -4.913 115.525 120.400 0.063 0.000 2.849 40 D HA -0.121 4.336 4.640 -0.305 0.000 0.057 40 D C -2.272 173.891 176.300 -0.228 0.000 1.540 40 D CA 0.706 54.605 54.000 -0.168 0.000 0.535 40 D CB 0.101 40.844 40.800 -0.095 0.000 3.266 40 D HN 0.052 8.504 8.370 0.137 0.000 0.199 41 Y N -3.062 117.388 120.300 0.249 0.000 2.609 41 Y HA 0.429 5.035 4.550 0.094 0.000 0.342 41 Y C -1.697 174.395 175.900 0.321 0.000 1.058 41 Y CA -2.149 56.084 58.100 0.222 0.000 1.055 41 Y CB 3.774 42.441 38.460 0.345 0.000 1.292 41 Y HN -0.177 8.287 8.280 0.307 0.000 0.476 42 Y N -3.639 116.852 120.300 0.320 0.000 2.587 42 Y HA 0.459 5.278 4.550 0.448 0.000 0.337 42 Y C -1.754 174.205 175.900 0.099 0.000 1.065 42 Y CA -2.797 55.475 58.100 0.286 0.000 1.126 42 Y CB 3.092 41.696 38.460 0.241 0.000 1.279 42 Y HN 0.339 8.605 8.280 -0.023 0.000 0.489 43 S N -1.300 114.727 115.700 0.546 0.000 2.535 43 S HA 0.661 5.563 4.470 0.361 -0.215 0.272 43 S C -2.217 172.619 174.600 0.394 0.000 1.149 43 S CA -0.753 57.662 58.200 0.359 0.000 0.888 43 S CB 3.163 66.474 63.200 0.185 0.000 1.110 43 S HN 0.172 8.996 8.310 0.671 -0.111 0.463 44 L N 3.120 124.548 121.223 0.342 0.000 2.362 44 L HA 0.703 5.353 4.340 0.288 -0.137 0.271 44 L C -2.155 174.813 176.870 0.165 0.000 1.002 44 L CA -0.870 54.131 54.840 0.268 0.000 0.818 44 L CB 4.607 46.830 42.059 0.273 0.000 1.298 44 L HN 0.670 9.098 8.230 0.330 0.000 0.420 45 C N 5.185 124.605 119.300 0.200 0.000 2.498 45 C HA 0.713 5.376 4.460 0.100 -0.143 0.316 45 C C -2.346 172.746 174.990 0.171 0.000 1.209 45 C CA -2.424 56.707 59.018 0.189 0.000 1.518 45 C CB 2.844 30.741 27.740 0.261 0.000 2.147 45 C HN 0.769 9.153 8.230 0.255 0.000 0.483 46 V N 5.950 125.878 119.914 0.023 0.000 2.925 46 V HA 0.748 5.009 4.120 0.002 -0.140 0.311 46 V C -2.088 173.907 176.094 -0.165 0.000 1.104 46 V CA -1.414 60.853 62.300 -0.054 0.000 0.954 46 V CB 3.999 35.763 31.823 -0.099 0.000 1.022 46 V HN 1.231 9.389 8.190 -0.054 0.000 0.427 47 R N 1.820 122.214 120.500 -0.175 0.000 2.564 47 R HA 0.615 4.722 4.340 -0.566 -0.107 0.284 47 R C -1.952 174.225 176.300 -0.205 0.000 1.031 47 R CA -1.306 54.630 56.100 -0.272 0.000 0.904 47 R CB 2.793 33.069 30.300 -0.040 0.000 1.199 47 R HN 0.913 9.125 8.270 -0.097 0.000 0.443 48 H N 1.054 120.142 119.070 0.030 0.000 2.725 48 H HA 0.536 5.108 4.556 0.026 0.000 0.283 48 H C -1.454 173.895 175.328 0.035 0.000 1.110 48 H CA -3.335 52.729 56.048 0.028 0.000 1.289 48 H CB 1.405 31.180 29.762 0.020 0.000 1.400 48 H HN 0.044 7.942 8.280 -0.637 0.000 0.493 49 P HA 0.079 4.569 4.420 0.117 0.000 0.220 49 P C -1.216 176.148 177.300 0.107 0.000 1.806 49 P CA -0.704 62.463 63.100 0.112 0.000 0.976 49 P CB -1.216 30.530 31.700 0.076 0.000 1.952 50 V N 2.250 122.239 119.914 0.125 0.000 2.637 50 V HA 0.014 4.217 4.120 0.137 0.000 0.296 50 V C 0.793 176.956 176.094 0.116 0.000 1.046 50 V CA -2.268 60.109 62.300 0.129 0.000 1.066 50 V CB -0.354 31.537 31.823 0.112 0.000 0.968 50 V HN -0.270 7.943 8.190 0.152 0.069 0.483 51 P HA 0.092 4.502 4.420 -0.017 0.000 0.231 51 P C -0.092 177.149 177.300 -0.097 0.000 1.168 51 P CA 1.504 64.597 63.100 -0.012 0.000 0.779 51 P CB 0.332 31.982 31.700 -0.082 0.000 0.844 52 F N -3.596 116.352 119.950 -0.003 0.000 2.780 52 F HA 0.113 4.637 4.527 -0.006 0.000 0.299 52 F C 0.566 176.359 175.800 -0.012 0.000 1.146 52 F CA 0.607 58.602 58.000 -0.008 0.000 1.428 52 F CB 0.285 39.278 39.000 -0.013 0.000 1.115 52 F HN -0.051 8.481 8.300 0.444 0.034 0.583 53 T N -0.825 113.808 114.554 0.132 0.000 2.838 53 T HA 0.204 4.592 4.350 0.064 0.000 0.292 53 T C -1.587 173.141 174.700 0.046 0.000 1.113 53 T CA -1.586 60.558 62.100 0.072 0.000 1.008 53 T CB 1.806 70.704 68.868 0.051 0.000 1.259 53 T HN -0.773 7.478 8.240 0.125 0.064 0.520 54 R N 1.697 122.218 120.500 0.034 0.000 2.491 54 R HA 0.218 4.575 4.340 0.028 0.000 0.283 54 R C -1.313 175.019 176.300 0.052 0.000 1.072 54 R CA -2.202 53.918 56.100 0.033 0.000 1.048 54 R CB -0.584 29.731 30.300 0.025 0.000 0.983 54 R HN 0.158 8.446 8.270 0.030 0.000 0.450 55 P HA -0.109 4.382 4.420 0.118 0.000 0.275 55 P C -1.061 176.301 177.300 0.104 0.000 1.227 55 P CA -0.393 62.761 63.100 0.090 0.000 0.781 55 P CB 0.790 32.532 31.700 0.069 0.000 0.906 56 K N 1.468 121.973 120.400 0.174 0.000 2.509 56 K HA 0.386 4.763 4.320 0.095 0.000 0.266 56 K C -1.824 174.798 176.600 0.037 0.000 0.987 56 K CA -1.443 54.944 56.287 0.166 0.000 0.868 56 K CB 3.922 36.572 32.500 0.251 0.000 1.421 56 K HN -0.087 8.319 8.250 0.260 0.000 0.444 57 V N -0.140 119.752 119.914 -0.037 0.000 2.656 57 V HA 0.595 4.683 4.120 -0.285 -0.139 0.307 57 V C -0.811 175.111 176.094 -0.288 0.000 1.051 57 V CA -2.002 60.202 62.300 -0.159 0.000 0.893 57 V CB 2.967 34.802 31.823 0.021 0.000 0.999 57 V HN 0.171 8.369 8.190 0.014 0.000 0.426 58 A N 6.868 129.441 122.820 -0.413 0.000 2.374 58 A HA 0.604 4.420 4.320 -0.839 0.000 0.317 58 A C -2.751 174.435 177.584 -0.663 0.000 1.094 58 A CA -1.016 50.649 52.037 -0.619 0.000 0.765 58 A CB 2.883 21.649 19.000 -0.389 0.000 1.268 58 A HN 0.888 8.697 8.150 -0.386 0.109 0.438 59 F N -3.585 115.977 119.950 -0.646 0.000 2.641 59 F HA 0.971 5.251 4.527 -0.645 -0.140 0.308 59 F C -2.004 173.354 175.800 -0.736 0.000 1.105 59 F CA -3.020 54.612 58.000 -0.613 0.000 0.964 59 F CB 2.348 41.205 39.000 -0.239 0.000 1.294 59 F HN -0.001 7.511 8.300 -1.312 0.000 0.442 60 Y N -0.481 119.920 120.300 0.168 0.000 2.477 60 Y HA 0.356 4.993 4.550 0.146 0.000 0.347 60 Y C -1.547 174.481 175.900 0.215 0.000 0.981 60 Y CA -1.408 56.762 58.100 0.117 0.000 1.033 60 Y CB 3.301 41.657 38.460 -0.174 0.000 1.245 60 Y HN 0.470 8.705 8.280 -0.074 0.000 0.455 61 T N 1.444 116.193 114.554 0.325 0.000 2.907 61 T HA 0.040 4.585 4.350 0.148 -0.107 0.344 61 T C -1.411 173.114 174.700 -0.292 0.000 1.675 61 T CA -0.581 61.487 62.100 -0.053 0.000 1.076 61 T CB 1.172 69.747 68.868 -0.488 0.000 1.483 61 T HN -0.014 8.434 8.240 0.347 0.000 0.487 62 N N 4.934 123.120 118.700 -0.856 0.000 2.322 62 N HA 0.104 4.638 4.740 -0.344 0.000 0.194 62 N C -0.379 174.802 175.510 -0.550 0.000 1.126 62 N CA -0.490 52.184 53.050 -0.626 0.000 0.845 62 N CB 0.510 38.502 38.487 -0.824 0.000 0.976 62 N HN 0.255 7.913 8.380 -1.204 0.000 0.475 63 Y N 0.945 120.932 120.300 -0.521 0.000 2.757 63 Y HA -0.230 3.465 4.550 -1.425 0.000 0.344 63 Y C -1.135 174.488 175.900 -0.463 0.000 1.263 63 Y CA -1.735 55.965 58.100 -0.666 0.000 1.493 63 Y CB -1.205 37.181 38.460 -0.123 0.000 1.342 63 Y HN -0.499 7.324 8.280 -0.637 0.074 0.627 64 P HA 0.080 4.494 4.420 -0.011 0.000 0.268 64 P C 0.522 177.860 177.300 0.063 0.000 1.205 64 P CA -0.265 62.834 63.100 -0.002 0.000 0.771 64 P CB 0.679 32.463 31.700 0.141 0.000 0.858 65 E N 4.752 124.992 120.200 0.066 0.000 2.204 65 E HA -0.447 3.934 4.350 0.050 0.000 0.195 65 E C 1.306 177.948 176.600 0.070 0.000 0.990 65 E CA 3.199 59.636 56.400 0.063 0.000 0.821 65 E CB -0.912 28.828 29.700 0.065 0.000 0.750 65 E HN 0.500 8.899 8.360 0.064 0.000 0.477 66 A N 0.435 123.321 122.820 0.110 0.000 1.930 66 A HA -0.165 4.237 4.320 0.136 0.000 0.217 66 A C 1.778 179.385 177.584 0.039 0.000 1.175 66 A CA 2.340 54.467 52.037 0.150 0.000 0.627 66 A CB -1.345 17.837 19.000 0.304 0.000 0.815 66 A HN 0.391 8.589 8.150 0.134 0.032 0.443 67 W N -0.558 120.460 121.300 -0.469 0.000 2.409 67 W HA -0.271 3.970 4.660 -0.698 0.000 0.299 67 W C 1.354 177.761 176.519 -0.185 0.000 1.203 67 W CA 2.452 59.422 57.345 -0.625 0.000 1.298 67 W CB 1.039 30.012 29.460 -0.811 0.000 1.127 67 W HN -0.439 7.622 8.180 -0.033 0.100 0.528 68 V N -0.929 118.860 119.914 -0.209 0.000 2.427 68 V HA -0.555 3.289 4.120 -0.459 0.000 0.248 68 V C 2.379 178.390 176.094 -0.138 0.000 1.051 68 V CA 4.387 66.547 62.300 -0.232 0.000 1.048 68 V CB -0.807 30.993 31.823 -0.039 0.000 0.666 68 V HN -0.087 8.088 8.190 -0.025 0.000 0.456 69 S N 0.262 115.942 115.700 -0.033 0.000 2.355 69 S HA -0.320 4.168 4.470 0.031 0.000 0.222 69 S C 1.683 176.310 174.600 0.045 0.000 1.031 69 S CA 3.445 61.663 58.200 0.029 0.000 0.993 69 S CB -0.182 63.061 63.200 0.072 0.000 0.859 69 S HN 0.278 8.469 8.310 -0.007 0.114 0.453 70 Y N 2.731 122.975 120.300 -0.095 0.000 2.181 70 Y HA -0.428 4.144 4.550 0.036 0.000 0.288 70 Y C 1.488 177.332 175.900 -0.093 0.000 1.146 70 Y CA 2.992 61.065 58.100 -0.046 0.000 1.164 70 Y CB -0.119 38.348 38.460 0.012 0.000 0.982 70 Y HN -0.593 7.769 8.280 0.136 0.000 0.515 71 Y N -1.003 118.902 120.300 -0.659 0.000 2.165 71 Y HA -0.572 3.501 4.550 -0.796 0.000 0.286 71 Y C 1.865 177.574 175.900 -0.319 0.000 1.155 71 Y CA 4.412 62.051 58.100 -0.769 0.000 1.164 71 Y CB 0.090 37.782 38.460 -1.278 0.000 0.978 71 Y HN 0.419 8.413 8.280 -0.476 0.000 0.513 72 Q N -2.095 117.658 119.800 -0.078 0.000 2.123 72 Q HA -0.355 3.959 4.340 -0.043 0.000 0.199 72 Q C 2.725 178.686 176.000 -0.065 0.000 0.966 72 Q CA 2.918 58.700 55.803 -0.035 0.000 0.845 72 Q CB -0.014 28.755 28.738 0.052 0.000 0.907 72 Q HN -0.503 7.721 8.270 -0.077 0.000 0.439 73 A N 0.432 123.220 122.820 -0.053 0.000 1.930 73 A HA -0.168 4.143 4.320 -0.015 0.000 0.217 73 A C 1.350 178.876 177.584 -0.096 0.000 1.175 73 A CA 2.853 54.870 52.037 -0.032 0.000 0.627 73 A CB -0.281 18.742 19.000 0.038 0.000 0.815 73 A HN 0.474 8.494 8.150 -0.039 0.107 0.443 74 K N -5.571 114.717 120.400 -0.187 0.000 2.404 74 K HA 0.075 4.247 4.320 -0.248 0.000 0.194 74 K C -0.715 175.634 176.600 -0.419 0.000 1.023 74 K CA -1.225 54.862 56.287 -0.333 0.000 1.094 74 K CB -0.160 32.017 32.500 -0.539 0.000 0.841 74 K HN -0.648 7.492 8.250 -0.185 0.000 0.523 75 N N -1.749 116.756 118.700 -0.324 0.000 2.708 75 N HA -0.338 4.235 4.740 -0.278 0.000 0.255 75 N C -0.132 175.095 175.510 -0.471 0.000 1.046 75 N CA 1.111 53.967 53.050 -0.323 0.000 0.715 75 N CB -2.027 36.331 38.487 -0.216 0.000 0.895 75 N HN -0.533 7.505 8.380 -0.239 0.199 0.545 76 F N -2.101 117.371 119.950 -0.797 0.000 2.494 76 F HA -0.243 3.947 4.527 -0.561 0.000 0.298 76 F C 1.319 176.638 175.800 -0.801 0.000 1.106 76 F CA 3.530 60.995 58.000 -0.892 0.000 1.452 76 F CB -0.184 38.079 39.000 -1.229 0.000 1.085 76 F HN 0.580 8.553 8.300 -0.544 0.000 0.569 77 L N -2.194 118.693 121.223 -0.560 0.000 2.189 77 L HA -0.336 3.952 4.340 -0.087 0.000 0.214 77 L C 1.136 177.912 176.870 -0.157 0.000 1.097 77 L CA 2.765 57.482 54.840 -0.204 0.000 0.764 77 L CB -0.763 41.252 42.059 -0.073 0.000 0.900 77 L HN -0.064 7.730 8.230 -0.653 0.043 0.436 78 A N -2.994 119.705 122.820 -0.202 0.000 2.066 78 A HA -0.159 4.085 4.320 -0.126 0.000 0.218 78 A C 0.999 178.489 177.584 -0.157 0.000 1.157 78 A CA 2.008 53.944 52.037 -0.168 0.000 0.670 78 A CB 0.295 19.178 19.000 -0.195 0.000 0.804 78 A HN -0.282 7.563 8.150 -0.270 0.143 0.453 79 I N -9.677 110.795 120.570 -0.164 0.000 4.403 79 I HA 0.137 4.232 4.170 -0.125 0.000 0.331 79 I C -0.603 175.453 176.117 -0.101 0.000 1.327 79 I CA -0.494 60.732 61.300 -0.124 0.000 1.175 79 I CB 2.524 40.449 38.000 -0.126 0.000 1.165 79 I HN -0.596 7.339 8.210 -0.193 0.160 0.413 80 D N 2.727 123.077 120.400 -0.083 0.000 2.317 80 D HA 0.242 4.805 4.640 -0.128 0.000 0.252 80 D C 0.146 176.355 176.300 -0.152 0.000 1.174 80 D CA -2.898 51.052 54.000 -0.082 0.000 0.866 80 D CB 1.981 42.828 40.800 0.078 0.000 1.127 80 D HN -0.453 7.862 8.370 -0.093 0.000 0.467 81 P HA 0.032 4.335 4.420 -0.196 0.000 0.236 81 P C 0.598 177.787 177.300 -0.185 0.000 1.177 81 P CA 0.848 63.796 63.100 -0.252 0.000 0.773 81 P CB 0.389 31.867 31.700 -0.369 0.000 0.878 82 V N -3.334 116.506 119.914 -0.123 0.000 3.383 82 V HA -0.132 4.116 4.120 0.213 0.000 0.272 82 V C -0.622 175.336 176.094 -0.227 0.000 1.181 82 V CA 1.875 64.210 62.300 0.059 0.000 1.171 82 V CB -0.962 30.963 31.823 0.170 0.000 0.800 82 V HN 0.347 8.846 8.190 -0.141 -0.394 0.515 83 L N -10.347 110.584 121.223 -0.487 0.000 2.858 83 L HA 0.312 2.926 4.340 -2.875 0.000 0.251 83 L C -1.035 175.456 176.870 -0.632 0.000 1.149 83 L CA -1.003 53.158 54.840 -1.132 0.000 0.955 83 L CB -0.057 41.683 42.059 -0.532 0.000 1.289 83 L HN -0.902 7.093 8.230 -0.251 0.085 0.542 84 N N 1.496 120.098 118.700 -0.163 0.000 2.485 84 N HA 0.412 5.142 4.740 -0.017 0.000 0.243 84 N C -0.706 174.901 175.510 0.161 0.000 0.987 84 N CA -3.608 49.444 53.050 0.002 0.000 0.940 84 N CB 1.817 40.278 38.487 -0.044 0.000 1.122 84 N HN -0.609 7.618 8.380 -0.061 0.117 0.509 85 P HA -0.125 3.905 4.420 -0.649 0.000 0.222 85 P C 0.876 178.142 177.300 -0.056 0.000 1.147 85 P CA 1.677 64.620 63.100 -0.261 0.000 0.790 85 P CB 0.311 31.812 31.700 -0.332 0.000 0.780 86 E N -1.246 118.961 120.200 0.012 0.000 2.204 86 E HA -0.336 4.025 4.350 0.017 0.000 0.194 86 E C 1.212 177.814 176.600 0.003 0.000 0.989 86 E CA 2.733 59.139 56.400 0.010 0.000 0.824 86 E CB -0.563 29.134 29.700 -0.006 0.000 0.756 86 E HN -0.523 8.041 8.360 0.011 -0.197 0.477 87 N N -1.782 116.903 118.700 -0.026 0.000 2.331 87 N HA -0.152 4.508 4.740 -0.134 0.000 0.180 87 N C 0.491 175.870 175.510 -0.218 0.000 1.019 87 N CA 1.660 54.608 53.050 -0.170 0.000 0.881 87 N CB 0.560 38.859 38.487 -0.313 0.000 0.972 87 N HN -0.650 7.718 8.380 0.021 0.024 0.435 88 F N -0.619 119.277 119.950 -0.091 0.000 2.662 88 F HA 0.182 4.863 4.527 0.016 -0.145 0.365 88 F C 0.681 176.506 175.800 0.041 0.000 1.222 88 F CA -0.504 57.488 58.000 -0.013 0.000 1.315 88 F CB -2.119 36.867 39.000 -0.024 0.000 1.711 88 F HN -0.707 7.734 8.300 0.291 0.033 0.651 89 S N 2.513 118.281 115.700 0.114 0.000 2.481 89 S HA -0.044 4.488 4.470 0.103 0.000 0.231 89 S C 0.539 175.216 174.600 0.128 0.000 0.996 89 S CA 2.523 60.782 58.200 0.099 0.000 0.942 89 S CB 0.263 63.488 63.200 0.042 0.000 0.768 89 S HN 0.154 8.419 8.310 0.020 0.057 0.520 90 Q N -1.119 118.781 119.800 0.167 0.000 2.129 90 Q HA 0.184 4.613 4.340 0.149 0.000 0.274 90 Q C -0.313 175.839 176.000 0.254 0.000 0.854 90 Q CA -0.577 55.332 55.803 0.176 0.000 1.123 90 Q CB -0.216 28.605 28.738 0.139 0.000 1.226 90 Q HN -0.387 7.956 8.270 0.180 0.035 0.454 91 G N 0.721 109.737 108.800 0.359 0.000 2.148 91 G HA2 -0.423 3.923 3.960 0.644 0.000 0.254 91 G HA3 -0.423 3.727 3.960 0.317 0.000 0.254 91 G C -2.269 173.000 174.900 0.614 0.000 0.981 91 G CA 0.734 46.117 45.100 0.473 0.000 0.670 91 G HN -0.186 8.211 8.290 0.353 0.105 0.528 92 H N -1.447 117.924 119.070 0.501 0.000 3.046 92 H HA 0.327 5.220 4.556 0.562 0.000 0.361 92 H C -2.274 173.176 175.328 0.204 0.000 1.235 92 H CA -0.733 55.564 56.048 0.415 0.000 1.146 92 H CB 2.516 32.408 29.762 0.217 0.000 1.859 92 H HN -0.798 7.727 8.280 0.485 0.046 0.548 93 L N 2.805 123.579 121.223 -0.748 0.000 2.401 93 L HA 0.455 4.501 4.340 -0.490 0.000 0.266 93 L C -2.081 174.503 176.870 -0.477 0.000 0.991 93 L CA -0.469 54.021 54.840 -0.583 0.000 0.818 93 L CB 4.198 45.944 42.059 -0.521 0.000 1.321 93 L HN 0.197 7.947 8.230 -0.801 0.000 0.413 94 M N -0.003 119.507 119.600 -0.150 0.000 2.327 94 M HA 0.214 4.730 4.480 0.060 0.000 0.298 94 M C -1.149 175.312 176.300 0.269 0.000 1.065 94 M CA -0.541 54.797 55.300 0.062 0.000 0.916 94 M CB 4.038 36.676 32.600 0.063 0.000 1.630 94 M HN 0.067 8.268 8.290 -0.148 0.000 0.442 95 W N 3.802 125.105 121.300 0.005 0.000 2.387 95 W HA 0.087 4.889 4.660 0.238 0.000 0.310 95 W C -1.526 174.913 176.519 -0.133 0.000 1.181 95 W CA -2.163 55.197 57.345 0.024 0.000 1.333 95 W CB -0.686 28.729 29.460 -0.075 0.000 1.286 95 W HN 0.109 8.428 8.180 0.232 0.000 0.455 96 N N 2.377 121.133 118.700 0.095 0.000 2.405 96 N HA 0.111 4.757 4.740 -0.158 0.000 0.285 96 N C -0.345 175.100 175.510 -0.108 0.000 1.262 96 N CA -0.874 52.140 53.050 -0.060 0.000 0.773 96 N CB 3.519 42.003 38.487 -0.005 0.000 1.490 96 N HN -0.423 8.077 8.380 0.200 0.000 0.486 97 D N 0.630 120.935 120.400 -0.158 0.000 2.190 97 D HA -0.330 4.147 4.640 -0.271 0.000 0.200 97 D C 0.796 177.127 176.300 0.053 0.000 0.992 97 D CA 3.360 57.316 54.000 -0.073 0.000 0.854 97 D CB 0.003 40.858 40.800 0.091 0.000 0.936 97 D HN 0.430 8.722 8.370 -0.129 0.000 0.462 98 D N -1.874 118.549 120.400 0.038 0.000 2.117 98 D HA -0.239 4.426 4.640 0.040 0.000 0.197 98 D C 2.413 178.726 176.300 0.021 0.000 0.987 98 D CA 2.536 56.557 54.000 0.034 0.000 0.829 98 D CB -0.230 40.581 40.800 0.018 0.000 0.961 98 D HN -0.035 8.322 8.370 0.018 0.024 0.460 99 L N 0.328 121.568 121.223 0.028 0.000 2.056 99 L HA -0.226 4.049 4.340 -0.108 0.000 0.207 99 L C 1.407 178.180 176.870 -0.162 0.000 1.078 99 L CA 2.688 57.490 54.840 -0.063 0.000 0.749 99 L CB -0.110 41.933 42.059 -0.026 0.000 0.901 99 L HN -0.407 7.751 8.230 0.060 0.109 0.433 100 F N -5.019 114.831 119.950 -0.166 0.000 2.693 100 F HA -0.040 4.425 4.527 -0.104 0.000 0.303 100 F C 0.048 175.847 175.800 -0.001 0.000 1.143 100 F CA -0.008 57.925 58.000 -0.111 0.000 1.389 100 F CB -0.821 38.060 39.000 -0.198 0.000 1.060 100 F HN -0.565 7.936 8.300 0.335 0.000 0.535 101 S N -1.251 114.513 115.700 0.107 0.000 2.447 101 S HA -0.225 4.332 4.470 0.145 0.000 0.233 101 S C 0.835 175.478 174.600 0.072 0.000 1.006 101 S CA 2.626 60.884 58.200 0.098 0.000 0.957 101 S CB 0.089 63.323 63.200 0.056 0.000 0.773 101 S HN -0.622 7.526 8.310 0.055 0.196 0.507 102 E N 1.009 121.228 120.200 0.032 0.000 2.127 102 E HA 0.014 4.383 4.350 0.033 0.000 0.191 102 E C 0.344 176.977 176.600 0.056 0.000 0.964 102 E CA 1.536 57.949 56.400 0.022 0.000 0.832 102 E CB 0.430 30.115 29.700 -0.025 0.000 0.790 102 E HN -0.046 8.288 8.360 -0.003 0.024 0.465 103 A N 0.735 123.585 122.820 0.051 0.000 2.478 103 A HA 0.055 4.458 4.320 0.138 0.000 0.239 103 A C 0.438 178.215 177.584 0.322 0.000 1.480 103 A CA -0.275 51.841 52.037 0.133 0.000 1.308 103 A CB -1.915 17.060 19.000 -0.042 0.000 0.899 103 A HN 0.276 8.415 8.150 -0.020 0.000 0.600 104 Q N -0.500 119.464 119.800 0.273 0.000 2.096 104 Q HA -0.245 4.327 4.340 0.386 0.000 0.204 104 Q C -0.557 175.612 176.000 0.282 0.000 0.982 104 Q CA 5.204 61.181 55.803 0.290 0.000 0.850 104 Q CB -1.801 27.050 28.738 0.188 0.000 0.901 104 Q HN 0.004 8.269 8.270 0.190 0.119 0.422 105 P HA -0.005 4.596 4.420 0.301 0.000 0.233 105 P C 0.471 178.055 177.300 0.475 0.000 1.167 105 P CA 1.774 65.112 63.100 0.396 0.000 0.770 105 P CB -0.495 31.471 31.700 0.443 0.000 0.837 106 L N -0.292 121.211 121.223 0.466 0.000 2.049 106 L HA -0.143 4.343 4.340 0.243 0.000 0.203 106 L C 1.000 178.061 176.870 0.318 0.000 1.074 106 L CA 3.262 58.331 54.840 0.381 0.000 0.749 106 L CB 0.063 42.386 42.059 0.440 0.000 0.907 106 L HN -0.683 7.662 8.230 0.463 0.163 0.439 107 W N -0.033 121.344 121.300 0.129 0.000 2.358 107 W HA -0.528 3.895 4.660 -0.396 0.000 0.303 107 W C 1.549 177.982 176.519 -0.144 0.000 1.208 107 W CA 2.351 59.605 57.345 -0.151 0.000 1.274 107 W CB 0.479 29.857 29.460 -0.138 0.000 1.138 107 W HN 0.205 8.751 8.180 0.610 0.000 0.515 108 E N -0.866 119.244 120.200 -0.150 0.000 2.072 108 E HA -0.385 3.595 4.350 -0.617 0.000 0.191 108 E C 1.967 178.422 176.600 -0.241 0.000 0.985 108 E CA 3.223 59.431 56.400 -0.320 0.000 0.801 108 E CB -0.563 29.050 29.700 -0.144 0.000 0.750 108 E HN 0.172 8.578 8.360 0.076 0.000 0.452 109 A N -0.983 121.794 122.820 -0.073 0.000 1.898 109 A HA -0.180 4.123 4.320 -0.027 0.000 0.216 109 A C 2.335 179.746 177.584 -0.287 0.000 1.181 109 A CA 2.768 54.789 52.037 -0.025 0.000 0.620 109 A CB -0.956 18.260 19.000 0.361 0.000 0.819 109 A HN -0.659 7.518 8.150 0.046 0.000 0.442 110 A N -0.123 122.329 122.820 -0.613 0.000 1.902 110 A HA -0.373 3.180 4.320 -1.278 0.000 0.217 110 A C 1.368 178.747 177.584 -0.342 0.000 1.181 110 A CA 2.913 54.495 52.037 -0.758 0.000 0.623 110 A CB -0.716 17.952 19.000 -0.553 0.000 0.818 110 A HN 0.250 8.133 8.150 -0.444 0.000 0.443 111 R N -1.431 118.864 120.500 -0.342 0.000 2.103 111 R HA -0.477 3.726 4.340 -0.228 0.000 0.242 111 R C 1.978 178.100 176.300 -0.297 0.000 1.142 111 R CA 3.326 59.178 56.100 -0.413 0.000 0.960 111 R CB -0.028 29.718 30.300 -0.924 0.000 0.858 111 R HN 0.160 8.185 8.270 -0.408 0.000 0.439 112 A N -2.779 119.851 122.820 -0.317 0.000 1.898 112 A HA -0.159 3.998 4.320 -0.272 0.000 0.216 112 A C 1.798 179.185 177.584 -0.329 0.000 1.181 112 A CA 2.265 54.111 52.037 -0.319 0.000 0.620 112 A CB -0.446 18.333 19.000 -0.367 0.000 0.819 112 A HN -0.608 7.257 8.150 -0.340 0.081 0.442 113 H N -4.168 114.776 119.070 -0.209 0.000 2.546 113 H HA -0.209 4.316 4.556 -0.051 0.000 0.277 113 H C 0.876 176.186 175.328 -0.029 0.000 1.004 113 H CA 1.801 57.768 56.048 -0.135 0.000 1.231 113 H CB 0.505 30.117 29.762 -0.250 0.000 1.382 113 H HN -0.137 8.018 8.280 -0.208 0.000 0.580 114 G N -3.150 105.656 108.800 0.012 0.000 2.184 114 G HA2 -0.265 3.689 3.960 -0.010 0.000 0.206 114 G HA3 -0.265 3.746 3.960 0.084 0.000 0.206 114 G C -0.041 174.901 174.900 0.070 0.000 0.995 114 G CA -0.342 44.783 45.100 0.041 0.000 0.651 114 G HN -0.453 7.633 8.290 -0.078 0.157 0.511 115 L N 0.738 122.002 121.223 0.067 0.000 2.533 115 L HA 0.035 4.650 4.340 0.219 -0.144 0.239 115 L C -0.218 176.811 176.870 0.266 0.000 1.376 115 L CA -0.545 54.395 54.840 0.167 0.000 1.240 115 L CB -2.655 39.432 42.059 0.047 0.000 1.487 115 L HN -0.216 7.993 8.230 -0.036 0.000 0.419 116 R N -1.634 118.974 120.500 0.179 0.000 2.280 116 R HA -0.239 4.305 4.340 0.340 0.000 0.207 116 R C 0.272 176.721 176.300 0.247 0.000 1.043 116 R CA 1.855 58.097 56.100 0.237 0.000 1.006 116 R CB 0.353 30.709 30.300 0.095 0.000 0.885 116 R HN -0.078 8.188 8.270 0.098 0.063 0.467 117 R N -4.782 115.772 120.500 0.090 0.000 2.756 117 R HA 0.232 4.605 4.340 0.055 0.000 0.273 117 R C -2.256 173.756 176.300 -0.480 0.000 1.030 117 R CA -1.416 54.642 56.100 -0.070 0.000 0.887 117 R CB 3.899 34.115 30.300 -0.141 0.000 1.274 117 R HN -0.568 7.698 8.270 0.064 0.042 0.461 118 G N -3.432 104.707 108.800 -1.103 0.000 2.600 118 G HA2 0.732 4.235 3.960 -0.884 0.000 0.293 118 G HA3 0.732 2.689 3.960 -3.349 -0.007 0.293 118 G C -3.140 170.963 174.900 -1.329 0.000 1.408 118 G CA 0.093 44.126 45.100 -1.779 0.000 0.782 118 G HN 0.016 7.890 8.290 -0.693 0.000 0.482 119 V N -4.224 115.225 119.914 -0.774 0.000 2.760 119 V HA 0.652 4.661 4.120 -0.184 0.000 0.309 119 V C -2.533 173.517 176.094 -0.074 0.000 1.077 119 V CA -2.418 59.742 62.300 -0.234 0.000 0.910 119 V CB 2.968 34.794 31.823 0.006 0.000 1.008 119 V HN 0.597 8.396 8.190 -0.652 0.000 0.424 120 T N 6.561 121.169 114.554 0.089 0.000 2.923 120 T HA 0.726 5.386 4.350 0.209 -0.184 0.311 120 T C -1.146 173.758 174.700 0.340 0.000 1.183 120 T CA -0.728 61.517 62.100 0.243 0.000 1.020 120 T CB 3.730 72.840 68.868 0.403 0.000 1.165 120 T HN 0.048 8.334 8.240 0.076 0.000 0.482 121 Q N 2.554 122.609 119.800 0.424 0.000 2.553 121 Q HA 0.444 5.132 4.340 0.580 0.000 0.293 121 Q C -2.198 173.995 176.000 0.322 0.000 1.038 121 Q CA -0.804 55.258 55.803 0.432 0.000 0.777 121 Q CB 4.629 33.501 28.738 0.224 0.000 1.487 121 Q HN 0.542 9.031 8.270 0.364 0.000 0.426 122 Y N 0.233 120.452 120.300 -0.134 0.000 2.597 122 Y HA 0.684 4.969 4.550 -0.707 -0.159 0.340 122 Y C -2.809 172.868 175.900 -0.371 0.000 1.097 122 Y CA -1.011 56.753 58.100 -0.561 0.000 1.037 122 Y CB 3.954 41.690 38.460 -1.208 0.000 1.305 122 Y HN -0.303 8.085 8.280 0.180 0.000 0.463 123 L N 1.452 121.976 121.223 -1.166 0.000 2.465 123 L HA 0.389 4.031 4.340 -1.164 0.000 0.257 123 L C -2.261 173.950 176.870 -1.097 0.000 0.988 123 L CA -0.359 53.827 54.840 -1.090 0.000 0.827 123 L CB 5.207 46.953 42.059 -0.522 0.000 1.397 123 L HN 0.075 7.634 8.230 -1.118 0.000 0.410 124 M N 2.505 121.653 119.600 -0.753 0.000 2.456 124 M HA 0.322 4.626 4.480 -0.293 0.000 0.324 124 M C -1.506 174.660 176.300 -0.223 0.000 1.124 124 M CA -1.870 53.215 55.300 -0.358 0.000 0.959 124 M CB 1.208 33.697 32.600 -0.185 0.000 1.692 124 M HN 0.114 8.009 8.290 -0.657 0.000 0.444 125 L N 4.282 125.420 121.223 -0.142 0.000 2.431 125 L HA 0.532 4.812 4.340 -0.100 0.000 0.266 125 L C -0.562 176.274 176.870 -0.056 0.000 0.978 125 L CA -2.413 52.367 54.840 -0.100 0.000 0.822 125 L CB 1.710 43.709 42.059 -0.101 0.000 1.310 125 L HN 0.123 8.282 8.230 -0.118 0.000 0.409 126 P HA -0.009 4.402 4.420 -0.015 0.000 0.223 126 P C 0.010 177.301 177.300 -0.014 0.000 1.151 126 P CA 1.240 64.327 63.100 -0.021 0.000 0.787 126 P CB 0.533 32.223 31.700 -0.017 0.000 0.788 127 E N -3.661 116.527 120.200 -0.020 0.000 2.268 127 E HA -0.082 4.266 4.350 -0.004 0.000 0.195 127 E C -0.169 176.429 176.600 -0.004 0.000 0.995 127 E CA 0.542 56.935 56.400 -0.011 0.000 0.836 127 E CB 0.070 29.760 29.700 -0.017 0.000 0.763 127 E HN 0.303 8.628 8.360 -0.030 0.017 0.491 128 R N -4.956 115.538 120.500 -0.011 0.000 4.163 128 R HA -0.357 3.982 4.340 -0.002 0.000 0.106 128 R C -1.797 174.494 176.300 -0.014 0.000 0.242 128 R CA 0.221 56.320 56.100 -0.001 0.000 0.581 128 R CB -0.852 29.461 30.300 0.021 0.000 1.041 128 R HN -0.605 7.498 8.270 -0.024 0.152 0.538 129 A N -0.508 122.315 122.820 0.005 0.000 6.484 129 A HA -0.343 4.098 4.320 0.024 -0.106 0.261 129 A C -2.201 175.365 177.584 -0.030 0.000 2.084 129 A CA 1.238 53.272 52.037 -0.005 0.000 0.721 129 A CB -0.136 18.851 19.000 -0.022 0.000 1.059 129 A HN -0.026 8.140 8.150 0.027 0.000 0.382 130 L N -2.164 119.025 121.223 -0.056 0.000 2.622 130 L HA 0.282 4.508 4.340 -0.191 0.000 0.258 130 L C -1.884 174.871 176.870 -0.192 0.000 0.996 130 L CA -0.056 54.704 54.840 -0.135 0.000 0.858 130 L CB 5.322 47.354 42.059 -0.044 0.000 1.449 130 L HN -0.307 7.893 8.230 -0.051 0.000 0.411 131 G N -1.838 106.692 108.800 -0.450 0.000 2.673 131 G HA2 0.720 4.773 3.960 -0.089 0.000 0.292 131 G HA3 0.720 4.556 3.960 -0.207 0.000 0.292 131 G C -2.938 171.519 174.900 -0.737 0.000 1.450 131 G CA 0.323 45.204 45.100 -0.365 0.000 0.837 131 G HN -0.329 7.575 8.290 -0.644 0.000 0.505 132 F N -3.870 116.098 119.950 0.029 0.000 2.645 132 F HA 0.640 5.310 4.527 0.025 -0.128 0.310 132 F C -1.864 173.993 175.800 0.096 0.000 1.102 132 F CA -1.193 56.841 58.000 0.056 0.000 0.952 132 F CB 5.043 44.099 39.000 0.092 0.000 1.326 132 F HN 0.676 9.093 8.300 0.195 0.000 0.456 133 L N -3.167 118.228 121.223 0.286 0.000 2.371 133 L HA 0.889 5.522 4.340 0.271 -0.131 0.262 133 L C -1.959 175.025 176.870 0.189 0.000 1.006 133 L CA -1.147 53.821 54.840 0.213 0.000 0.818 133 L CB 4.561 46.690 42.059 0.116 0.000 1.354 133 L HN 0.018 8.433 8.230 0.307 0.000 0.415 134 S N -1.121 114.703 115.700 0.205 0.000 2.572 134 S HA 0.616 5.235 4.470 -0.003 -0.151 0.274 134 S C -1.071 173.711 174.600 0.302 0.000 1.150 134 S CA -0.988 57.334 58.200 0.203 0.000 0.944 134 S CB 2.903 66.391 63.200 0.480 0.000 1.071 134 S HN 0.777 9.146 8.310 0.272 0.104 0.479 135 F N 4.481 124.576 119.950 0.241 0.000 2.394 135 F HA 0.392 5.115 4.527 0.326 0.000 0.340 135 F C 0.307 176.174 175.800 0.113 0.000 1.105 135 F CA -2.293 55.855 58.000 0.247 0.000 1.124 135 F CB 0.554 39.701 39.000 0.245 0.000 1.145 135 F HN 0.181 8.408 8.300 -0.121 0.000 0.505 136 S N 2.338 118.292 115.700 0.424 0.000 2.652 136 S HA 0.523 5.003 4.470 -0.212 -0.137 0.270 136 S C -0.197 174.495 174.600 0.153 0.000 1.243 136 S CA -0.268 58.047 58.200 0.193 0.000 0.999 136 S CB 1.573 65.049 63.200 0.461 0.000 0.973 136 S HN 0.342 8.998 8.310 0.577 0.000 0.544 137 R N -1.665 118.806 120.500 -0.047 0.000 2.651 137 R HA 0.381 4.716 4.340 -0.107 -0.059 0.278 137 R C -0.091 176.138 176.300 -0.118 0.000 1.010 137 R CA -1.333 54.659 56.100 -0.180 0.000 0.896 137 R CB 2.957 32.920 30.300 -0.561 0.000 1.211 137 R HN 0.753 8.968 8.270 -0.092 0.000 0.456 138 C N 1.535 120.764 119.300 -0.117 0.000 2.481 138 C HA 0.311 4.879 4.460 -0.041 -0.132 0.275 138 C C 0.364 175.306 174.990 -0.081 0.000 1.419 138 C CA -0.813 58.158 59.018 -0.079 0.000 1.773 138 C CB 0.297 27.985 27.740 -0.087 0.000 1.862 138 C HN 0.685 8.834 8.230 -0.135 0.000 0.530 139 S N 2.148 117.769 115.700 -0.131 0.000 2.519 139 S HA -0.034 4.388 4.470 -0.080 0.000 0.320 139 S C -0.143 174.408 174.600 -0.081 0.000 1.179 139 S CA -0.415 57.716 58.200 -0.116 0.000 1.173 139 S CB -0.348 62.749 63.200 -0.171 0.000 1.224 139 S HN -0.090 8.066 8.310 -0.197 0.035 0.542 140 A N 5.372 128.177 122.820 -0.025 0.000 2.264 140 A HA -0.168 4.383 4.320 0.063 -0.194 0.207 140 A C -0.004 177.587 177.584 0.013 0.000 1.196 140 A CA 0.610 52.665 52.037 0.030 0.000 0.778 140 A CB 0.003 19.037 19.000 0.056 0.000 0.779 140 A HN 0.298 8.433 8.150 -0.025 0.000 0.483 141 R N -0.987 119.497 120.500 -0.026 0.000 2.738 141 R HA -0.063 4.271 4.340 -0.009 0.000 0.268 141 R C 0.307 176.588 176.300 -0.032 0.000 1.062 141 R CA -1.599 54.486 56.100 -0.026 0.000 1.158 141 R CB 0.035 30.311 30.300 -0.040 0.000 1.046 141 R HN -0.504 7.593 8.270 -0.050 0.143 0.493 142 E N 1.713 121.901 120.200 -0.019 0.000 2.436 142 E HA -0.226 4.113 4.350 -0.018 0.000 0.262 142 E C -0.220 176.368 176.600 -0.021 0.000 1.063 142 E CA 1.029 57.419 56.400 -0.016 0.000 0.944 142 E CB 0.612 30.310 29.700 -0.003 0.000 0.950 142 E HN 0.197 8.550 8.360 -0.011 0.000 0.444 143 I N 5.326 125.888 120.570 -0.014 0.000 2.301 143 I HA 0.295 4.466 4.170 0.001 0.000 0.292 143 I C -1.159 174.970 176.117 0.019 0.000 1.046 143 I CA -3.014 58.288 61.300 0.005 0.000 1.282 143 I CB -1.349 36.661 38.000 0.017 0.000 1.409 143 I HN 0.019 8.402 8.210 -0.013 -0.182 0.484 144 P HA 0.170 4.603 4.420 0.022 0.000 0.322 144 P C -0.640 176.681 177.300 0.034 0.000 1.414 144 P CA -0.543 62.570 63.100 0.022 0.000 0.876 144 P CB 0.837 32.545 31.700 0.013 0.000 2.176 145 I N 0.916 121.502 120.570 0.026 0.000 3.609 145 I HA -0.067 4.127 4.170 0.039 0.000 0.305 145 I C 1.234 177.365 176.117 0.022 0.000 1.239 145 I CA -0.506 60.809 61.300 0.024 0.000 1.191 145 I CB -1.533 36.471 38.000 0.006 0.000 1.020 145 I HN 0.021 8.241 8.210 0.017 0.000 0.471 146 L N -2.272 118.974 121.223 0.039 0.000 3.271 146 L HA -0.514 3.857 4.340 0.052 0.000 0.385 146 L C -1.906 174.986 176.870 0.036 0.000 0.696 146 L CA 1.775 56.643 54.840 0.048 0.000 3.118 146 L CB -0.514 41.581 42.059 0.061 0.000 0.639 146 L HN 0.259 8.363 8.230 0.042 0.152 0.752 147 S N -3.308 112.402 115.700 0.017 0.000 2.714 147 S HA -0.103 4.368 4.470 0.001 0.000 0.489 147 S C -1.374 173.218 174.600 -0.013 0.000 0.726 147 S CA -0.538 57.667 58.200 0.007 0.000 1.532 147 S CB 0.898 64.112 63.200 0.023 0.000 1.117 147 S HN -0.300 7.878 8.310 0.008 0.137 0.326 148 D N 4.337 124.720 120.400 -0.030 0.000 2.158 148 D HA -0.371 4.234 4.640 -0.057 0.000 0.197 148 D C 1.596 177.854 176.300 -0.069 0.000 0.995 148 D CA 2.900 56.868 54.000 -0.053 0.000 0.846 148 D CB 0.050 40.816 40.800 -0.057 0.000 0.941 148 D HN 0.471 8.826 8.370 -0.024 0.000 0.456 149 E N -1.307 118.853 120.200 -0.067 0.000 2.208 149 E HA -0.195 4.080 4.350 -0.125 0.000 0.193 149 E C 1.359 177.913 176.600 -0.077 0.000 0.988 149 E CA 2.252 58.595 56.400 -0.095 0.000 0.828 149 E CB -0.518 29.124 29.700 -0.096 0.000 0.763 149 E HN 0.217 8.530 8.360 -0.051 0.016 0.478 150 L N -0.635 120.573 121.223 -0.025 0.000 2.127 150 L HA -0.124 4.230 4.340 0.023 0.000 0.203 150 L C 1.223 178.095 176.870 0.004 0.000 1.080 150 L CA 2.765 57.617 54.840 0.021 0.000 0.768 150 L CB -0.181 41.928 42.059 0.083 0.000 0.924 150 L HN -0.474 7.615 8.230 -0.017 0.131 0.444 151 Q N -0.313 119.467 119.800 -0.034 0.000 2.084 151 Q HA -0.254 4.022 4.340 -0.107 0.000 0.202 151 Q C 2.513 178.451 176.000 -0.103 0.000 0.978 151 Q CA 2.731 58.476 55.803 -0.096 0.000 0.844 151 Q CB -0.712 27.950 28.738 -0.127 0.000 0.898 151 Q HN 0.350 8.493 8.270 -0.031 0.109 0.426 152 L N -1.139 120.035 121.223 -0.082 0.000 2.072 152 L HA -0.276 4.020 4.340 -0.073 0.000 0.205 152 L C 2.158 179.005 176.870 -0.039 0.000 1.079 152 L CA 2.529 57.325 54.840 -0.073 0.000 0.752 152 L CB -0.371 41.631 42.059 -0.095 0.000 0.906 152 L HN -0.130 8.052 8.230 -0.081 0.000 0.436 153 K N -0.448 119.932 120.400 -0.034 0.000 2.147 153 K HA -0.322 4.013 4.320 0.025 0.000 0.205 153 K C 2.282 178.926 176.600 0.074 0.000 1.049 153 K CA 2.713 59.010 56.287 0.017 0.000 0.936 153 K CB -0.446 32.048 32.500 -0.010 0.000 0.722 153 K HN -0.764 7.453 8.250 -0.056 0.000 0.446 154 M N -0.694 118.939 119.600 0.056 0.000 2.086 154 M HA -0.463 4.068 4.480 0.084 0.000 0.261 154 M C 1.735 178.060 176.300 0.041 0.000 1.067 154 M CA 4.477 59.811 55.300 0.057 0.000 1.116 154 M CB -0.111 32.512 32.600 0.039 0.000 1.348 154 M HN 0.372 8.576 8.290 0.030 0.103 0.407 155 Q N -0.174 119.633 119.800 0.012 0.000 2.124 155 Q HA -0.357 3.995 4.340 0.020 0.000 0.202 155 Q C 2.390 178.395 176.000 0.008 0.000 0.977 155 Q CA 3.270 59.076 55.803 0.006 0.000 0.850 155 Q CB 0.143 28.870 28.738 -0.017 0.000 0.901 155 Q HN -0.577 7.685 8.270 -0.014 0.000 0.429 156 L N 0.673 121.915 121.223 0.031 0.000 1.994 156 L HA -0.273 4.085 4.340 0.029 0.000 0.208 156 L C 1.457 178.363 176.870 0.060 0.000 1.071 156 L CA 3.278 58.151 54.840 0.056 0.000 0.745 156 L CB -0.424 41.697 42.059 0.104 0.000 0.892 156 L HN -0.083 8.165 8.230 0.031 0.000 0.431 157 L N -1.106 120.188 121.223 0.118 0.000 2.012 157 L HA -0.296 4.179 4.340 0.225 0.000 0.210 157 L C 2.886 179.782 176.870 0.043 0.000 1.073 157 L CA 3.147 58.083 54.840 0.161 0.000 0.748 157 L CB -1.861 40.349 42.059 0.251 0.000 0.891 157 L HN 0.373 8.571 8.230 0.130 0.111 0.431 158 V N 0.076 119.997 119.914 0.011 0.000 2.343 158 V HA -0.473 3.633 4.120 -0.023 0.000 0.247 158 V C 1.813 177.840 176.094 -0.111 0.000 1.051 158 V CA 4.005 66.281 62.300 -0.041 0.000 1.036 158 V CB -0.470 31.333 31.823 -0.033 0.000 0.654 158 V HN 0.272 8.479 8.190 0.030 0.000 0.451 159 R N -0.429 120.004 120.500 -0.112 0.000 2.080 159 R HA -0.406 3.839 4.340 -0.158 0.000 0.236 159 R C 2.121 178.290 176.300 -0.218 0.000 1.137 159 R CA 3.848 59.860 56.100 -0.146 0.000 0.943 159 R CB -0.235 30.004 30.300 -0.101 0.000 0.846 159 R HN -0.267 7.962 8.270 -0.069 0.000 0.431 160 E N -1.878 118.131 120.200 -0.319 0.000 2.112 160 E HA -0.204 3.852 4.350 -0.489 0.000 0.190 160 E C 2.337 178.486 176.600 -0.752 0.000 0.979 160 E CA 2.824 58.827 56.400 -0.660 0.000 0.814 160 E CB -0.388 28.613 29.700 -1.166 0.000 0.762 160 E HN 0.058 8.278 8.360 -0.234 0.000 0.460 161 S N 0.907 116.323 115.700 -0.472 0.000 2.348 161 S HA -0.300 4.084 4.470 -0.143 0.000 0.221 161 S C 2.235 176.762 174.600 -0.123 0.000 1.033 161 S CA 3.355 61.448 58.200 -0.179 0.000 1.010 161 S CB -0.087 63.128 63.200 0.025 0.000 0.891 161 S HN 0.172 8.278 8.310 -0.340 0.000 0.442 162 L N 0.683 121.823 121.223 -0.139 0.000 2.046 162 L HA -0.301 3.982 4.340 -0.095 0.000 0.208 162 L C 2.233 179.028 176.870 -0.125 0.000 1.077 162 L CA 3.250 58.011 54.840 -0.131 0.000 0.747 162 L CB -0.602 41.347 42.059 -0.183 0.000 0.896 162 L HN 0.012 8.148 8.230 -0.156 0.000 0.432 163 M N -0.219 119.286 119.600 -0.159 0.000 2.067 163 M HA -0.456 3.961 4.480 -0.104 0.000 0.260 163 M C 1.721 177.960 176.300 -0.102 0.000 1.069 163 M CA 4.015 59.236 55.300 -0.132 0.000 1.117 163 M CB -0.039 32.468 32.600 -0.155 0.000 1.334 163 M HN 0.389 8.453 8.290 -0.198 0.108 0.407 164 A N -0.978 121.761 122.820 -0.135 0.000 1.898 164 A HA -0.228 4.074 4.320 -0.029 0.000 0.216 164 A C 2.056 179.643 177.584 0.004 0.000 1.181 164 A CA 2.831 54.836 52.037 -0.053 0.000 0.620 164 A CB -0.682 18.290 19.000 -0.047 0.000 0.819 164 A HN 0.220 8.120 8.150 -0.232 0.111 0.442 165 L N -1.623 119.605 121.223 0.008 0.000 2.056 165 L HA -0.321 4.064 4.340 0.075 0.000 0.207 165 L C 1.646 178.533 176.870 0.027 0.000 1.078 165 L CA 2.848 57.717 54.840 0.049 0.000 0.749 165 L CB 0.186 42.292 42.059 0.079 0.000 0.901 165 L HN 0.071 8.281 8.230 -0.033 0.000 0.433 166 M N -0.482 119.114 119.600 -0.006 0.000 2.065 166 M HA -0.473 4.009 4.480 0.004 0.000 0.259 166 M C 1.702 178.002 176.300 0.000 0.000 1.069 166 M CA 3.243 58.538 55.300 -0.009 0.000 1.110 166 M CB -0.388 32.189 32.600 -0.037 0.000 1.328 166 M HN 0.140 8.304 8.290 -0.030 0.108 0.405 167 R N -1.360 119.136 120.500 -0.006 0.000 2.237 167 R HA -0.213 4.126 4.340 -0.001 0.000 0.219 167 R C 1.560 177.867 176.300 0.012 0.000 1.080 167 R CA 2.594 58.694 56.100 0.000 0.000 0.995 167 R CB -0.239 30.058 30.300 -0.005 0.000 0.875 167 R HN -0.417 7.843 8.270 -0.017 0.000 0.462 168 L N -1.801 119.435 121.223 0.023 0.000 2.253 168 L HA -0.026 4.329 4.340 0.025 0.000 0.205 168 L C 0.865 177.754 176.870 0.031 0.000 1.078 168 L CA 1.901 56.759 54.840 0.031 0.000 0.805 168 L CB -0.124 41.964 42.059 0.048 0.000 0.963 168 L HN -0.762 7.330 8.230 0.024 0.152 0.459 169 N N -2.119 116.603 118.700 0.037 0.000 2.432 169 N HA -0.051 4.715 4.740 0.043 0.000 0.174 169 N C 1.051 176.581 175.510 0.034 0.000 1.037 169 N CA 1.235 54.312 53.050 0.045 0.000 0.892 169 N CB 1.926 40.456 38.487 0.071 0.000 1.049 169 N HN -0.048 8.270 8.380 0.037 0.084 0.442 170 D N -4.321 116.095 120.400 0.026 0.000 2.614 170 D HA -0.310 4.338 4.640 0.014 0.000 0.182 170 D C -0.899 175.420 176.300 0.031 0.000 1.067 170 D CA 2.708 56.719 54.000 0.019 0.000 1.053 170 D CB -1.521 39.284 40.800 0.008 0.000 1.117 170 D HN 0.462 8.846 8.370 0.023 0.000 0.438 171 E N 0.000 120.230 120.200 0.051 0.000 2.725 171 E HA 0.000 4.390 4.350 0.066 0.000 0.291 171 E CA 0.000 56.447 56.400 0.078 0.000 0.976 171 E CB 0.000 29.758 29.700 0.097 0.000 0.812 171 E HN 0.000 8.277 8.360 0.055 0.116 0.440