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 1co1_1_A DATA FIRST_RESID 21 DATA SEQUENCE ELVRTDSPNF LCSVLPTHWR CNKTLPIAFK VVALGDVPDG TLVTVMAGND DATA SEQUENCE ENYSAELRNA TAAMKNQVAR FNDLRFVGRS GRGKSFTLTI TVFTNPPQVA DATA SEQUENCE TYHRAIKITV DGPRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 E HA 0.000 4.359 4.350 0.015 0.000 0.291 21 E C 0.000 176.620 176.600 0.033 0.000 1.382 21 E CA 0.000 56.412 56.400 0.021 0.000 0.976 21 E CB 0.000 29.713 29.700 0.021 0.000 0.812 22 L N -1.303 119.946 121.223 0.043 0.000 2.656 22 L HA 0.231 4.603 4.340 0.053 0.000 0.252 22 L C -0.699 176.205 176.870 0.057 0.000 1.129 22 L CA -0.490 54.379 54.840 0.048 0.000 0.962 22 L CB 3.511 45.594 42.059 0.041 0.000 1.565 22 L HN -0.399 7.859 8.230 0.047 0.000 0.389 23 V N 1.888 121.818 119.914 0.027 0.000 2.106 23 V HA 0.044 4.223 4.120 0.098 0.000 0.235 23 V C -1.449 174.592 176.094 -0.089 0.000 1.454 23 V CA -0.248 62.017 62.300 -0.059 0.000 1.458 23 V CB -2.495 29.169 31.823 -0.263 0.000 1.506 23 V HN 0.536 8.739 8.190 0.021 0.000 0.498 24 R N 3.679 124.219 120.500 0.066 0.000 2.817 24 R HA 0.046 4.654 4.340 0.091 -0.213 0.264 24 R C -0.032 176.394 176.300 0.210 0.000 1.009 24 R CA 0.562 56.730 56.100 0.114 0.000 1.133 24 R CB 0.386 30.746 30.300 0.100 0.000 1.013 24 R HN 0.354 8.577 8.270 0.086 0.098 0.453 25 T N 0.779 115.471 114.554 0.230 0.000 2.636 25 T HA 0.039 4.605 4.350 0.359 0.000 0.199 25 T C 0.991 175.878 174.700 0.312 0.000 0.770 25 T CA 0.135 62.410 62.100 0.291 0.000 1.712 25 T CB 0.855 69.872 68.868 0.250 0.000 3.035 25 T HN -0.099 8.262 8.240 0.202 0.000 0.396 26 D N -1.373 119.184 120.400 0.262 0.000 2.149 26 D HA -0.172 4.610 4.640 0.237 0.000 0.198 26 D C 0.055 176.449 176.300 0.157 0.000 0.990 26 D CA 2.357 56.489 54.000 0.220 0.000 0.839 26 D CB -0.197 40.720 40.800 0.196 0.000 0.948 26 D HN 0.239 8.779 8.370 0.282 0.000 0.460 27 S N -3.149 112.585 115.700 0.056 0.000 2.595 27 S HA 0.398 4.844 4.470 -0.039 0.000 0.281 27 S C -1.592 172.941 174.600 -0.111 0.000 1.117 27 S CA -2.939 55.211 58.200 -0.084 0.000 0.873 27 S CB 2.886 65.937 63.200 -0.248 0.000 1.108 27 S HN -0.740 7.625 8.310 0.093 0.000 0.477 28 P HA -0.024 4.378 4.420 -0.031 0.000 0.239 28 P C -0.746 176.476 177.300 -0.129 0.000 1.184 28 P CA 0.892 63.944 63.100 -0.079 0.000 0.760 28 P CB 0.299 31.964 31.700 -0.058 0.000 0.884 29 N N -2.440 116.087 118.700 -0.289 0.000 2.331 29 N HA -0.066 4.551 4.740 -0.205 0.000 0.180 29 N C -0.864 174.454 175.510 -0.319 0.000 1.019 29 N CA 2.908 55.720 53.050 -0.397 0.000 0.881 29 N CB 0.599 38.676 38.487 -0.683 0.000 0.972 29 N HN 0.291 8.378 8.380 -0.354 0.080 0.435 30 F N -2.618 117.352 119.950 0.032 0.000 2.382 30 F HA 0.589 5.284 4.527 0.023 -0.154 0.361 30 F C -1.748 174.068 175.800 0.028 0.000 1.109 30 F CA -2.709 55.309 58.000 0.030 0.000 1.031 30 F CB -0.244 38.777 39.000 0.035 0.000 1.234 30 F HN -0.645 7.425 8.300 -0.383 0.000 0.445 31 L N 2.431 123.752 121.223 0.164 0.000 2.346 31 L HA 0.372 4.755 4.340 0.072 0.000 0.276 31 L C -1.606 175.308 176.870 0.073 0.000 1.006 31 L CA -1.150 53.742 54.840 0.088 0.000 0.817 31 L CB 2.616 44.712 42.059 0.060 0.000 1.272 31 L HN 1.127 9.361 8.230 0.178 0.103 0.421 32 C N 1.566 120.888 119.300 0.036 0.000 2.595 32 C HA 0.627 5.261 4.460 0.077 -0.128 0.338 32 C C -1.461 173.561 174.990 0.053 0.000 1.219 32 C CA -1.339 57.703 59.018 0.041 0.000 1.811 32 C CB 4.297 32.031 27.740 -0.010 0.000 2.313 32 C HN 0.395 8.491 8.230 0.006 0.137 0.499 33 S N 0.919 116.688 115.700 0.114 0.000 2.746 33 S HA 0.401 4.938 4.470 0.111 0.000 0.273 33 S C -2.227 172.530 174.600 0.261 0.000 1.172 33 S CA -1.004 57.282 58.200 0.143 0.000 1.116 33 S CB -0.046 63.221 63.200 0.112 0.000 1.057 33 S HN 0.870 9.270 8.310 0.151 0.000 0.483 34 V N 0.665 120.736 119.914 0.261 0.000 3.130 34 V HA 0.438 4.933 4.120 0.624 0.000 0.310 34 V C -2.291 173.945 176.094 0.236 0.000 1.158 34 V CA -2.761 59.776 62.300 0.395 0.000 1.029 34 V CB 2.641 34.695 31.823 0.384 0.000 1.057 34 V HN -0.116 8.178 8.190 0.174 0.000 0.436 35 L N 2.511 123.865 121.223 0.219 0.000 2.352 35 L HA 0.609 5.014 4.340 0.109 0.000 0.269 35 L C -1.650 175.202 176.870 -0.031 0.000 1.034 35 L CA -2.336 52.567 54.840 0.105 0.000 0.806 35 L CB 1.179 43.299 42.059 0.101 0.000 1.244 35 L HN 0.061 8.506 8.230 0.357 0.000 0.447 36 P HA 0.036 4.375 4.420 -0.134 0.000 0.266 36 P C -1.824 175.261 177.300 -0.359 0.000 1.193 36 P CA 0.297 63.337 63.100 -0.099 0.000 0.770 36 P CB 0.682 32.464 31.700 0.135 0.000 0.836 37 T N -1.128 112.989 114.554 -0.728 0.000 3.339 37 T HA 0.114 3.445 4.350 -1.700 0.000 0.292 37 T C -0.439 173.743 174.700 -0.863 0.000 1.012 37 T CA -0.336 61.007 62.100 -1.263 0.000 0.937 37 T CB -0.454 67.305 68.868 -1.849 0.000 1.164 37 T HN -0.127 7.732 8.240 -0.635 0.000 0.509 38 H N -0.225 118.759 119.070 -0.143 0.000 3.543 38 H HA 0.028 4.576 4.556 -0.013 0.000 0.270 38 H C -1.477 173.998 175.328 0.245 0.000 1.056 38 H CA -1.274 54.819 56.048 0.075 0.000 1.232 38 H CB -2.905 26.944 29.762 0.145 0.000 1.294 38 H HN 0.091 8.171 8.280 -0.333 0.000 0.729 39 W N -3.621 117.644 121.300 -0.058 0.000 3.059 39 W HA 0.584 5.542 4.660 0.036 -0.276 0.329 39 W C -2.743 173.759 176.519 -0.030 0.000 1.246 39 W CA -1.517 55.818 57.345 -0.017 0.000 1.190 39 W CB 1.970 31.412 29.460 -0.030 0.000 1.423 39 W HN -0.220 7.594 8.180 -0.461 0.090 0.571 40 R N -0.868 119.629 120.500 -0.006 0.000 2.582 40 R HA -0.044 4.211 4.340 -0.142 0.000 0.271 40 R C 0.483 176.761 176.300 -0.035 0.000 1.078 40 R CA -0.643 55.424 56.100 -0.056 0.000 1.127 40 R CB 0.186 30.512 30.300 0.044 0.000 1.038 40 R HN 0.026 8.431 8.270 0.224 0.000 0.500 41 C N 3.528 122.794 119.300 -0.057 0.000 3.004 41 C HA -0.417 4.249 4.460 -0.015 -0.216 0.267 41 C C 0.732 175.743 174.990 0.035 0.000 1.211 41 C CA 1.024 60.045 59.018 0.005 0.000 2.485 41 C CB -0.852 26.928 27.740 0.067 0.000 1.539 41 C HN 0.595 8.689 8.230 -0.073 0.093 0.462 42 N N 3.867 122.496 118.700 -0.118 0.000 2.137 42 N HA -0.384 4.150 4.740 -0.343 0.000 0.190 42 N C 0.322 175.971 175.510 0.231 0.000 1.017 42 N CA 2.610 55.604 53.050 -0.092 0.000 0.859 42 N CB 0.428 38.846 38.487 -0.115 0.000 1.002 42 N HN 0.236 8.511 8.380 -0.175 0.000 0.428 43 K N -5.311 115.186 120.400 0.162 0.000 0.847 43 K HA -0.273 4.112 4.320 0.108 0.000 0.800 43 K C -1.242 175.463 176.600 0.176 0.000 2.306 43 K CA 1.172 57.550 56.287 0.152 0.000 1.514 43 K CB 0.073 32.663 32.500 0.151 0.000 2.737 43 K HN -0.055 8.223 8.250 0.101 0.033 0.219 44 T N -0.509 114.124 114.554 0.130 0.000 3.859 44 T HA -0.096 4.357 4.350 0.171 0.000 0.251 44 T C -0.210 174.544 174.700 0.090 0.000 1.079 44 T CA 0.587 62.759 62.100 0.120 0.000 1.151 44 T CB -1.321 67.593 68.868 0.078 0.000 1.173 44 T HN 0.124 8.424 8.240 0.101 0.000 0.885 45 L N 5.204 126.497 121.223 0.116 0.000 2.461 45 L HA 0.174 4.553 4.340 0.064 0.000 0.272 45 L C 0.653 177.503 176.870 -0.034 0.000 1.197 45 L CA -1.587 53.292 54.840 0.065 0.000 0.836 45 L CB -0.796 41.342 42.059 0.131 0.000 1.105 45 L HN -0.513 7.799 8.230 0.196 0.036 0.477 46 P HA -0.029 4.353 4.420 -0.063 0.000 0.239 46 P C 0.245 177.484 177.300 -0.102 0.000 1.184 46 P CA 1.094 64.157 63.100 -0.061 0.000 0.760 46 P CB -0.324 31.355 31.700 -0.036 0.000 0.884 47 I N -6.620 113.871 120.570 -0.132 0.000 2.335 47 I HA -0.202 3.914 4.170 -0.089 0.000 0.251 47 I C 0.056 176.015 176.117 -0.263 0.000 1.129 47 I CA 0.143 61.350 61.300 -0.154 0.000 1.402 47 I CB -0.384 37.554 38.000 -0.102 0.000 1.069 47 I HN -0.604 7.445 8.210 -0.105 0.098 0.424 48 A N -0.440 122.096 122.820 -0.474 0.000 6.923 48 A HA -0.398 3.501 4.320 -0.701 0.000 0.267 48 A C -1.900 175.311 177.584 -0.621 0.000 2.116 48 A CA 1.174 52.883 52.037 -0.546 0.000 0.821 48 A CB -0.023 18.865 19.000 -0.188 0.000 1.086 48 A HN -0.746 7.077 8.150 -0.482 0.038 0.409 49 F N -5.014 115.073 119.950 0.227 0.000 2.613 49 F HA 0.852 5.676 4.527 0.213 -0.170 0.310 49 F C -1.364 174.545 175.800 0.182 0.000 1.085 49 F CA -1.409 56.769 58.000 0.298 0.000 0.945 49 F CB 4.353 43.635 39.000 0.470 0.000 1.298 49 F HN 0.204 8.565 8.300 0.101 0.000 0.455 50 K N 0.213 120.799 120.400 0.310 0.000 2.502 50 K HA 0.663 5.006 4.320 -0.235 -0.164 0.257 50 K C -2.407 174.251 176.600 0.096 0.000 0.938 50 K CA -1.452 54.855 56.287 0.033 0.000 0.819 50 K CB 4.814 37.311 32.500 -0.004 0.000 1.333 50 K HN 0.659 9.142 8.250 0.389 0.000 0.434 51 V N 0.060 119.971 119.914 -0.005 0.000 2.841 51 V HA 0.989 5.318 4.120 0.071 -0.166 0.310 51 V C -2.457 173.639 176.094 0.005 0.000 1.090 51 V CA -2.914 59.414 62.300 0.047 0.000 0.930 51 V CB 2.812 34.703 31.823 0.114 0.000 1.014 51 V HN -0.135 7.958 8.190 -0.162 0.000 0.425 52 V N 4.082 124.022 119.914 0.043 0.000 2.482 52 V HA 0.551 4.867 4.120 0.026 -0.181 0.295 52 V C -2.208 173.956 176.094 0.116 0.000 1.026 52 V CA -0.977 61.353 62.300 0.050 0.000 0.856 52 V CB 3.224 35.070 31.823 0.037 0.000 1.001 52 V HN 1.064 9.188 8.190 0.068 0.106 0.424 53 A N 7.551 130.452 122.820 0.135 0.000 2.363 53 A HA 0.699 5.431 4.320 0.468 -0.131 0.296 53 A C -1.672 176.075 177.584 0.271 0.000 1.237 53 A CA -1.704 50.502 52.037 0.280 0.000 0.773 53 A CB 1.718 20.782 19.000 0.106 0.000 1.153 53 A HN 0.906 9.104 8.150 0.080 0.000 0.473 54 L N 4.611 126.019 121.223 0.309 0.000 2.260 54 L HA 0.349 4.938 4.340 0.130 -0.171 0.289 54 L C 0.353 177.362 176.870 0.231 0.000 1.057 54 L CA -0.396 54.550 54.840 0.177 0.000 0.811 54 L CB 0.236 42.340 42.059 0.074 0.000 1.184 54 L HN 0.568 8.996 8.230 0.330 0.000 0.429 55 G N 3.099 112.002 108.800 0.172 0.000 2.561 55 G HA2 -0.031 4.015 3.960 0.144 0.000 0.310 55 G HA3 -0.031 4.051 3.960 0.204 0.000 0.310 55 G C -2.014 172.941 174.900 0.092 0.000 1.292 55 G CA 0.117 45.311 45.100 0.157 0.000 0.811 55 G HN 0.163 8.900 8.290 0.127 -0.371 0.482 56 D N -0.922 119.525 120.400 0.079 0.000 2.369 56 D HA 0.046 4.714 4.640 0.047 0.000 0.211 56 D C -0.285 176.044 176.300 0.048 0.000 1.077 56 D CA -0.373 53.659 54.000 0.054 0.000 0.842 56 D CB 0.396 41.223 40.800 0.046 0.000 0.947 56 D HN 0.117 8.542 8.370 0.091 0.000 0.509 57 V N -2.882 117.063 119.914 0.053 0.000 2.788 57 V HA -0.038 4.108 4.120 0.044 0.000 0.307 57 V C -0.520 175.600 176.094 0.043 0.000 1.069 57 V CA -2.148 60.180 62.300 0.047 0.000 1.173 57 V CB -1.329 30.521 31.823 0.046 0.000 0.925 57 V HN -0.392 7.837 8.190 0.065 0.000 0.492 58 P HA -0.051 4.389 4.420 0.032 0.000 0.217 58 P C -0.720 176.603 177.300 0.038 0.000 1.150 58 P CA 1.291 64.415 63.100 0.041 0.000 0.832 58 P CB 0.439 32.166 31.700 0.044 0.000 0.787 59 D N -4.465 115.966 120.400 0.053 0.000 2.469 59 D HA -0.085 4.678 4.640 -0.001 -0.123 0.278 59 D C 0.310 176.610 176.300 -0.000 0.000 1.231 59 D CA -0.950 53.063 54.000 0.022 0.000 1.075 59 D CB 0.640 41.469 40.800 0.049 0.000 1.121 59 D HN -0.672 7.745 8.370 0.079 0.000 0.571 60 G N -3.030 105.745 108.800 -0.043 0.000 2.692 60 G HA2 0.107 4.057 3.960 -0.016 0.000 0.209 60 G HA3 0.107 4.036 3.960 -0.052 0.000 0.209 60 G C -0.806 174.049 174.900 -0.075 0.000 1.166 60 G CA 0.153 45.227 45.100 -0.044 0.000 0.844 60 G HN 0.558 8.702 8.290 -0.089 0.093 0.596 61 T N -2.328 112.166 114.554 -0.100 0.000 2.588 61 T HA -0.080 4.260 4.350 -0.017 0.000 0.244 61 T C -2.953 171.671 174.700 -0.127 0.000 2.034 61 T CA 0.084 62.126 62.100 -0.097 0.000 0.976 61 T CB 1.202 69.963 68.868 -0.177 0.000 2.274 61 T HN -0.593 7.565 8.240 -0.137 0.000 0.417 62 L N 2.271 123.451 121.223 -0.071 0.000 2.372 62 L HA 0.549 4.997 4.340 -0.105 -0.171 0.274 62 L C -2.669 174.171 176.870 -0.051 0.000 0.988 62 L CA -1.169 53.632 54.840 -0.065 0.000 0.833 62 L CB 2.896 44.960 42.059 0.009 0.000 1.236 62 L HN -0.053 8.153 8.230 -0.040 0.000 0.410 63 V N 7.898 127.777 119.914 -0.058 0.000 2.406 63 V HA 0.406 4.608 4.120 -0.050 -0.111 0.272 63 V C -2.021 174.007 176.094 -0.110 0.000 1.043 63 V CA -1.387 60.874 62.300 -0.066 0.000 0.915 63 V CB 1.644 33.442 31.823 -0.041 0.000 0.988 63 V HN 1.144 9.198 8.190 -0.055 0.103 0.466 64 T N 10.829 125.331 114.554 -0.086 0.000 2.809 64 T HA 0.466 4.922 4.350 -0.152 -0.197 0.284 64 T C -1.686 172.971 174.700 -0.071 0.000 0.992 64 T CA -2.125 59.917 62.100 -0.098 0.000 0.957 64 T CB 1.507 70.338 68.868 -0.061 0.000 0.942 64 T HN 0.802 9.009 8.240 -0.055 0.000 0.439 65 V N 6.720 126.568 119.914 -0.110 0.000 2.364 65 V HA 0.309 4.484 4.120 0.091 0.000 0.272 65 V C -1.812 174.316 176.094 0.058 0.000 1.036 65 V CA -1.093 61.217 62.300 0.016 0.000 0.880 65 V CB 0.347 32.148 31.823 -0.037 0.000 0.991 65 V HN -0.232 7.833 8.190 -0.207 0.000 0.460 66 M N 8.194 127.853 119.600 0.098 0.000 2.085 66 M HA 0.208 4.791 4.480 0.062 -0.066 0.309 66 M C -1.460 174.899 176.300 0.099 0.000 0.947 66 M CA -0.981 54.367 55.300 0.080 0.000 0.918 66 M CB 2.711 35.351 32.600 0.065 0.000 1.504 66 M HN -0.157 8.179 8.290 0.077 0.000 0.420 67 A N 4.670 127.549 122.820 0.100 0.000 2.252 67 A HA 0.836 5.400 4.320 0.084 -0.193 0.309 67 A C -0.977 176.606 177.584 -0.001 0.000 1.285 67 A CA -1.542 50.540 52.037 0.075 0.000 0.900 67 A CB 1.390 20.450 19.000 0.099 0.000 1.157 67 A HN 0.591 8.709 8.150 0.093 0.088 0.536 68 G N 1.640 110.396 108.800 -0.074 0.000 3.252 68 G HA2 0.232 4.105 3.960 -0.144 0.000 0.181 68 G HA3 0.232 4.027 3.960 -0.357 -0.049 0.181 68 G C -3.187 171.595 174.900 -0.196 0.000 1.187 68 G CA -0.522 44.461 45.100 -0.196 0.000 0.886 68 G HN -0.052 8.201 8.290 -0.062 0.000 0.615 69 N N 0.587 119.110 118.700 -0.295 0.000 2.550 69 N HA 0.093 4.746 4.740 -0.144 0.000 0.277 69 N C -0.244 175.130 175.510 -0.227 0.000 1.595 69 N CA -0.101 52.830 53.050 -0.198 0.000 0.888 69 N CB 0.573 38.983 38.487 -0.128 0.000 1.424 69 N HN 0.028 8.122 8.380 -0.478 0.000 0.501 70 D N -2.452 117.757 120.400 -0.319 0.000 2.463 70 D HA -0.440 4.070 4.640 -0.217 0.000 0.165 70 D C -1.232 174.946 176.300 -0.203 0.000 1.471 70 D CA 2.760 56.623 54.000 -0.229 0.000 1.333 70 D CB -1.083 39.669 40.800 -0.078 0.000 1.227 70 D HN 0.596 8.750 8.370 -0.360 0.000 0.427 71 E N -0.121 119.942 120.200 -0.230 0.000 2.923 71 E HA 0.263 4.657 4.350 0.074 0.000 0.266 71 E C -1.704 174.802 176.600 -0.157 0.000 1.157 71 E CA 0.099 56.448 56.400 -0.085 0.000 0.795 71 E CB -0.411 29.296 29.700 0.011 0.000 1.454 71 E HN -0.302 7.766 8.360 -0.223 0.158 0.386 72 N N 1.895 120.427 118.700 -0.280 0.000 2.439 72 N HA -0.087 4.636 4.740 -0.029 0.000 0.318 72 N C -1.469 174.007 175.510 -0.057 0.000 0.676 72 N CA 0.868 53.834 53.050 -0.140 0.000 0.624 72 N CB 0.636 39.035 38.487 -0.147 0.000 2.376 72 N HN 0.008 8.066 8.380 -0.537 0.000 1.245 73 Y N -3.524 116.774 120.300 -0.003 0.000 4.047 73 Y HA -0.254 4.293 4.550 -0.005 0.000 0.213 73 Y C -0.039 175.860 175.900 -0.002 0.000 1.112 73 Y CA 0.260 58.357 58.100 -0.004 0.000 1.644 73 Y CB -2.132 36.322 38.460 -0.009 0.000 1.519 73 Y HN -0.002 7.704 8.280 -0.955 0.000 0.624 74 S N -2.189 113.541 115.700 0.049 0.000 2.407 74 S HA -0.370 4.127 4.470 0.045 0.000 0.235 74 S C 1.004 175.627 174.600 0.039 0.000 1.036 74 S CA 2.186 60.408 58.200 0.037 0.000 1.013 74 S CB 0.180 63.385 63.200 0.009 0.000 0.820 74 S HN 0.024 8.236 8.310 -0.010 0.092 0.476 75 A N -1.329 121.519 122.820 0.046 0.000 1.346 75 A HA -0.497 3.813 4.320 0.057 0.044 0.342 75 A C -0.838 176.761 177.584 0.024 0.000 1.689 75 A CA 1.931 53.995 52.037 0.045 0.000 1.090 75 A CB -1.560 17.468 19.000 0.045 0.000 1.472 75 A HN -0.253 7.807 8.150 0.040 0.114 0.721 76 E N 1.010 121.215 120.200 0.008 0.000 1.820 76 E HA -0.321 4.021 4.350 -0.013 0.000 0.296 76 E C -1.934 174.649 176.600 -0.028 0.000 1.702 76 E CA 0.953 57.348 56.400 -0.008 0.000 1.076 76 E CB -1.044 28.655 29.700 -0.002 0.000 0.745 76 E HN -0.223 8.084 8.360 0.013 0.061 0.333 77 L N -0.946 120.243 121.223 -0.057 0.000 2.303 77 L HA 0.721 5.140 4.340 -0.096 -0.136 0.256 77 L C -1.457 175.354 176.870 -0.098 0.000 1.034 77 L CA -2.540 52.238 54.840 -0.104 0.000 0.832 77 L CB 3.909 45.864 42.059 -0.173 0.000 1.403 77 L HN -0.138 8.060 8.230 -0.053 0.000 0.419 78 R N 0.753 121.182 120.500 -0.119 0.000 2.477 78 R HA 0.185 4.481 4.340 -0.073 0.000 0.285 78 R C -0.836 175.387 176.300 -0.129 0.000 1.415 78 R CA -0.948 55.097 56.100 -0.091 0.000 1.446 78 R CB -0.046 30.224 30.300 -0.049 0.000 1.110 78 R HN 0.646 8.691 8.270 -0.156 0.132 0.590 79 N N -0.210 118.404 118.700 -0.143 0.000 2.863 79 N HA -0.409 4.237 4.740 -0.157 0.000 0.245 79 N C 0.177 175.501 175.510 -0.309 0.000 1.001 79 N CA 1.604 54.547 53.050 -0.180 0.000 0.901 79 N CB -0.238 38.173 38.487 -0.127 0.000 1.124 79 N HN 0.667 8.971 8.380 -0.127 0.000 0.582 80 A N -2.758 119.831 122.820 -0.385 0.000 2.258 80 A HA -0.034 3.856 4.320 -0.716 0.000 0.206 80 A C -0.768 176.564 177.584 -0.420 0.000 1.222 80 A CA 1.286 52.978 52.037 -0.574 0.000 0.822 80 A CB -0.104 18.410 19.000 -0.810 0.000 0.804 80 A HN 0.156 8.068 8.150 -0.313 0.050 0.483 81 T N 1.087 115.463 114.554 -0.297 0.000 2.753 81 T HA 0.295 4.700 4.350 -0.186 -0.167 0.297 81 T C -1.417 173.150 174.700 -0.222 0.000 0.981 81 T CA 0.325 62.302 62.100 -0.205 0.000 0.956 81 T CB -0.014 68.776 68.868 -0.130 0.000 0.936 81 T HN -0.589 7.299 8.240 -0.287 0.180 0.463 82 A N 7.013 129.704 122.820 -0.215 0.000 2.408 82 A HA 0.442 4.675 4.320 -0.144 0.000 0.295 82 A C -2.685 174.864 177.584 -0.057 0.000 1.040 82 A CA -0.698 51.234 52.037 -0.175 0.000 0.707 82 A CB 3.612 22.342 19.000 -0.450 0.000 1.235 82 A HN 0.810 8.844 8.150 -0.193 0.000 0.418 83 A N 4.638 127.417 122.820 -0.067 0.000 2.279 83 A HA 0.865 5.239 4.320 -0.193 -0.169 0.303 83 A C -0.813 176.722 177.584 -0.081 0.000 1.108 83 A CA -0.684 51.251 52.037 -0.169 0.000 0.830 83 A CB 1.386 20.158 19.000 -0.379 0.000 1.106 83 A HN 0.349 8.459 8.150 -0.068 0.000 0.493 84 M N -1.018 118.496 119.600 -0.143 0.000 2.530 84 M HA 0.403 4.841 4.480 -0.070 0.000 0.307 84 M C -0.298 175.924 176.300 -0.130 0.000 1.161 84 M CA -0.718 54.524 55.300 -0.097 0.000 0.903 84 M CB 3.314 35.876 32.600 -0.063 0.000 1.711 84 M HN 0.336 8.489 8.290 -0.228 0.000 0.451 85 K N 1.293 121.640 120.400 -0.088 0.000 2.550 85 K HA 0.166 4.441 4.320 -0.075 0.000 0.225 85 K C 1.627 178.206 176.600 -0.034 0.000 1.361 85 K CA 1.004 57.251 56.287 -0.067 0.000 0.801 85 K CB 0.122 32.584 32.500 -0.063 0.000 1.698 85 K HN 0.022 8.227 8.250 -0.074 0.000 0.411 86 N N 1.757 120.439 118.700 -0.031 0.000 2.530 86 N HA -0.071 4.664 4.740 -0.008 0.000 0.216 86 N C -0.741 174.762 175.510 -0.012 0.000 1.315 86 N CA 0.744 53.784 53.050 -0.017 0.000 0.858 86 N CB -1.399 37.076 38.487 -0.020 0.000 1.138 86 N HN 0.159 8.515 8.380 -0.040 0.000 0.473 87 Q N -6.592 113.201 119.800 -0.011 0.000 2.406 87 Q HA -0.473 3.866 4.340 -0.002 0.000 0.236 87 Q C -2.043 173.954 176.000 -0.005 0.000 0.799 87 Q CA 1.262 57.067 55.803 0.003 0.000 1.286 87 Q CB -0.661 28.095 28.738 0.030 0.000 1.615 87 Q HN 0.152 8.254 8.270 -0.018 0.158 0.621 88 V N -8.397 111.496 119.914 -0.035 0.000 2.962 88 V HA 1.082 5.355 4.120 -0.053 -0.184 0.313 88 V C -2.247 173.776 176.094 -0.118 0.000 1.099 88 V CA -3.239 59.022 62.300 -0.065 0.000 0.971 88 V CB 3.595 35.381 31.823 -0.062 0.000 1.028 88 V HN -0.774 7.332 8.190 -0.042 0.059 0.430 89 A N 3.105 125.799 122.820 -0.211 0.000 2.475 89 A HA 0.525 4.662 4.320 -0.304 0.000 0.301 89 A C -2.374 174.794 177.584 -0.693 0.000 1.059 89 A CA -0.374 51.406 52.037 -0.429 0.000 0.710 89 A CB 2.791 21.535 19.000 -0.428 0.000 1.288 89 A HN 0.631 8.668 8.150 -0.188 0.000 0.408 90 R N 0.638 120.703 120.500 -0.726 0.000 2.502 90 R HA 0.827 4.844 4.340 -0.539 0.000 0.300 90 R C -1.883 174.186 176.300 -0.384 0.000 0.984 90 R CA -1.442 54.339 56.100 -0.532 0.000 0.882 90 R CB 1.233 31.401 30.300 -0.220 0.000 1.180 90 R HN 0.085 8.022 8.270 -0.556 0.000 0.444 91 F N 0.860 120.856 119.950 0.076 0.000 2.900 91 F HA 0.305 4.866 4.527 0.057 0.000 0.321 91 F C -2.673 173.201 175.800 0.123 0.000 1.160 91 F CA -1.461 56.600 58.000 0.100 0.000 0.890 91 F CB 1.594 40.667 39.000 0.122 0.000 1.334 91 F HN 0.077 8.305 8.300 -0.119 0.000 0.459 92 N N -1.987 116.940 118.700 0.379 0.000 2.036 92 N HA 0.041 4.726 4.740 -0.092 0.000 0.228 92 N C -0.517 175.150 175.510 0.261 0.000 1.368 92 N CA 0.392 53.528 53.050 0.143 0.000 0.846 92 N CB 1.843 40.317 38.487 -0.022 0.000 1.145 92 N HN 0.240 8.826 8.380 0.343 0.000 0.502 93 D N -0.069 120.472 120.400 0.236 0.000 2.234 93 D HA -0.112 4.583 4.640 0.092 0.000 0.205 93 D C 0.252 176.565 176.300 0.023 0.000 0.962 93 D CA 1.266 55.323 54.000 0.096 0.000 0.855 93 D CB -0.357 40.452 40.800 0.014 0.000 0.951 93 D HN 0.020 8.533 8.370 0.239 0.000 0.500 94 L N -1.388 119.785 121.223 -0.082 0.000 2.559 94 L HA -0.275 3.923 4.340 -0.511 -0.164 0.274 94 L C -0.469 176.180 176.870 -0.368 0.000 1.205 94 L CA 1.250 55.786 54.840 -0.506 0.000 0.907 94 L CB 0.125 41.483 42.059 -1.168 0.000 1.153 94 L HN -0.538 7.705 8.230 0.022 0.000 0.490 95 R N 1.234 121.483 120.500 -0.418 0.000 2.514 95 R HA 0.192 4.543 4.340 0.018 0.000 0.296 95 R C -1.342 174.799 176.300 -0.264 0.000 1.012 95 R CA -1.154 54.833 56.100 -0.188 0.000 0.897 95 R CB 2.293 32.566 30.300 -0.045 0.000 1.184 95 R HN 0.018 8.129 8.270 -0.492 -0.135 0.440 96 F N 2.664 122.464 119.950 -0.249 0.000 2.385 96 F HA 0.179 4.593 4.527 -0.188 0.000 0.336 96 F C 0.167 175.812 175.800 -0.259 0.000 1.100 96 F CA -1.069 56.767 58.000 -0.275 0.000 1.116 96 F CB 0.850 39.576 39.000 -0.457 0.000 1.166 96 F HN 0.577 9.111 8.300 0.389 0.000 0.511 97 V N -3.336 116.577 119.914 -0.002 0.000 5.359 97 V HA -0.531 3.702 4.120 -0.011 -0.120 0.278 97 V C 0.701 176.770 176.094 -0.043 0.000 0.622 97 V CA 0.732 63.009 62.300 -0.038 0.000 0.649 97 V CB -3.118 28.663 31.823 -0.071 0.000 0.408 97 V HN 0.391 8.606 8.190 0.042 0.000 0.918 98 G N 1.802 110.581 108.800 -0.035 0.000 2.955 98 G HA2 -0.479 3.464 3.960 -0.029 0.000 0.210 98 G HA3 -0.479 3.570 3.960 -0.036 -0.110 0.210 98 G C -0.905 173.989 174.900 -0.010 0.000 1.364 98 G CA 1.652 46.735 45.100 -0.029 0.000 0.788 98 G HN 0.577 8.744 8.290 -0.038 0.100 0.715 99 R N 2.164 122.660 120.500 -0.007 0.000 4.160 99 R HA -0.251 4.094 4.340 0.008 0.000 0.216 99 R C -0.887 175.417 176.300 0.008 0.000 2.009 99 R CA -0.094 56.008 56.100 0.003 0.000 1.664 99 R CB -1.068 29.232 30.300 0.000 0.000 1.216 99 R HN 0.090 8.834 8.270 -0.013 -0.482 0.648 100 S N -2.104 113.601 115.700 0.009 0.000 3.493 100 S HA -0.268 4.211 4.470 0.015 0.000 0.825 100 S C -1.766 172.838 174.600 0.007 0.000 1.181 100 S CA 0.892 59.100 58.200 0.014 0.000 1.045 100 S CB 0.186 63.400 63.200 0.024 0.000 0.630 100 S HN -0.209 7.964 8.310 0.005 0.140 0.345 101 G N 0.040 108.846 108.800 0.009 0.000 2.695 101 G HA2 0.255 4.221 3.960 0.009 0.000 0.290 101 G HA3 0.255 4.216 3.960 0.002 0.000 0.290 101 G C -3.246 171.666 174.900 0.020 0.000 1.410 101 G CA -1.027 44.079 45.100 0.009 0.000 0.844 101 G HN -0.085 8.216 8.290 0.017 0.000 0.478 102 R N -1.994 118.517 120.500 0.018 0.000 2.604 102 R HA 0.102 4.462 4.340 0.033 0.000 0.261 102 R C -1.269 175.041 176.300 0.015 0.000 1.080 102 R CA -0.724 55.390 56.100 0.023 0.000 0.917 102 R CB 2.077 32.391 30.300 0.023 0.000 1.252 102 R HN -0.057 8.220 8.270 0.012 0.000 0.456 103 G N 1.392 110.204 108.800 0.019 0.000 2.283 103 G HA2 -0.480 3.489 3.960 0.015 0.000 0.280 103 G HA3 -0.480 3.483 3.960 0.005 0.000 0.280 103 G C -1.251 173.648 174.900 -0.001 0.000 1.029 103 G CA 0.804 45.910 45.100 0.010 0.000 0.840 103 G HN 0.493 8.801 8.290 0.029 0.000 0.505 104 K N -1.998 118.405 120.400 0.005 0.000 2.395 104 K HA 0.377 4.753 4.320 -0.029 -0.074 0.247 104 K C -1.547 175.064 176.600 0.019 0.000 0.973 104 K CA -1.271 55.013 56.287 -0.006 0.000 0.828 104 K CB 3.735 36.231 32.500 -0.007 0.000 1.272 104 K HN -0.560 7.675 8.250 0.018 0.026 0.439 105 S N 0.524 116.230 115.700 0.010 0.000 2.549 105 S HA 0.437 5.118 4.470 0.089 -0.158 0.297 105 S C -1.538 173.113 174.600 0.085 0.000 1.115 105 S CA -0.989 57.238 58.200 0.046 0.000 1.059 105 S CB 2.563 65.759 63.200 -0.005 0.000 1.046 105 S HN 0.825 9.011 8.310 -0.028 0.107 0.506 106 F N 4.858 124.802 119.950 -0.010 0.000 2.515 106 F HA 0.238 4.778 4.527 0.022 0.000 0.353 106 F C -1.104 174.727 175.800 0.052 0.000 1.213 106 F CA -1.462 56.553 58.000 0.026 0.000 1.194 106 F CB -0.243 38.775 39.000 0.030 0.000 1.488 106 F HN 0.606 9.000 8.300 0.288 0.079 0.619 107 T N 10.865 125.319 114.554 -0.166 0.000 4.219 107 T HA -0.048 4.130 4.350 -0.286 0.000 0.263 107 T C -0.622 173.960 174.700 -0.197 0.000 1.217 107 T CA 0.403 62.381 62.100 -0.204 0.000 1.145 107 T CB -1.570 67.257 68.868 -0.069 0.000 1.298 107 T HN 0.437 8.664 8.240 -0.021 0.000 0.999 108 L N 7.579 128.535 121.223 -0.445 0.000 2.562 108 L HA -0.196 4.141 4.340 -0.005 0.000 0.271 108 L C -1.837 175.008 176.870 -0.041 0.000 1.167 108 L CA 0.730 55.468 54.840 -0.170 0.000 0.917 108 L CB 0.525 42.494 42.059 -0.151 0.000 1.187 108 L HN -0.162 7.472 8.230 -0.915 0.046 0.482 109 T N 8.636 123.186 114.554 -0.006 0.000 2.861 109 T HA 0.563 5.069 4.350 0.025 -0.141 0.287 109 T C -1.842 172.858 174.700 -0.001 0.000 1.003 109 T CA -1.845 60.259 62.100 0.008 0.000 0.977 109 T CB 2.603 71.475 68.868 0.006 0.000 0.996 109 T HN 0.521 8.759 8.240 -0.002 0.000 0.448 110 I N 8.452 129.025 120.570 0.005 0.000 2.301 110 I HA 0.141 4.398 4.170 -0.036 -0.109 0.292 110 I C -1.472 174.619 176.117 -0.043 0.000 1.046 110 I CA -0.811 60.472 61.300 -0.029 0.000 1.282 110 I CB 0.414 38.390 38.000 -0.041 0.000 1.409 110 I HN 0.979 9.098 8.210 0.027 0.108 0.484 111 T N 9.623 124.155 114.554 -0.038 0.000 2.753 111 T HA 0.245 4.578 4.350 -0.028 0.000 0.297 111 T C -1.028 173.665 174.700 -0.012 0.000 0.981 111 T CA -1.502 60.585 62.100 -0.022 0.000 0.956 111 T CB 0.415 69.281 68.868 -0.004 0.000 0.936 111 T HN 0.725 8.944 8.240 -0.035 0.000 0.463 112 V N 8.734 128.629 119.914 -0.032 0.000 2.924 112 V HA -0.074 4.036 4.120 -0.017 0.000 0.305 112 V C 0.314 176.459 176.094 0.086 0.000 1.073 112 V CA 0.491 62.784 62.300 -0.011 0.000 1.098 112 V CB 0.704 32.484 31.823 -0.071 0.000 1.000 112 V HN 0.359 8.398 8.190 -0.050 0.121 0.484 113 F N 6.743 126.650 119.950 -0.072 0.000 2.730 113 F HA 0.171 4.671 4.527 -0.045 0.000 0.295 113 F C -1.032 174.745 175.800 -0.038 0.000 1.143 113 F CA -0.599 57.372 58.000 -0.050 0.000 1.367 113 F CB 0.349 39.322 39.000 -0.046 0.000 0.970 113 F HN 0.543 8.953 8.300 0.183 0.000 0.514 114 T N -1.011 113.515 114.554 -0.046 0.000 2.831 114 T HA 0.161 4.423 4.350 -0.146 0.000 0.287 114 T C 0.324 174.975 174.700 -0.082 0.000 1.070 114 T CA -2.805 59.247 62.100 -0.080 0.000 1.010 114 T CB 1.772 70.631 68.868 -0.015 0.000 1.264 114 T HN -0.888 7.273 8.240 -0.014 0.071 0.532 115 N N 0.867 119.525 118.700 -0.070 0.000 2.069 115 N HA -0.106 4.590 4.740 -0.073 0.000 0.196 115 N C -1.175 174.309 175.510 -0.042 0.000 1.024 115 N CA 2.210 55.225 53.050 -0.058 0.000 0.869 115 N CB -1.507 36.955 38.487 -0.043 0.000 1.035 115 N HN 0.152 8.495 8.380 -0.062 0.000 0.434 116 P HA 0.412 4.821 4.420 -0.018 0.000 0.274 116 P C -2.427 174.861 177.300 -0.019 0.000 1.504 116 P CA -2.330 60.759 63.100 -0.017 0.000 1.011 116 P CB -0.254 31.444 31.700 -0.003 0.000 1.366 117 P HA -0.106 4.297 4.420 -0.027 0.000 0.264 117 P C -0.956 176.334 177.300 -0.016 0.000 1.236 117 P CA -0.406 62.678 63.100 -0.026 0.000 0.811 117 P CB 0.609 32.291 31.700 -0.031 0.000 0.840 118 Q N 4.834 124.622 119.800 -0.020 0.000 2.421 118 Q HA 0.185 4.531 4.340 0.009 0.000 0.242 118 Q C -1.130 174.855 176.000 -0.025 0.000 1.024 118 Q CA -1.179 54.617 55.803 -0.011 0.000 0.891 118 Q CB 0.640 29.375 28.738 -0.005 0.000 1.222 118 Q HN 0.204 8.457 8.270 -0.029 0.000 0.483 119 V N 1.933 121.847 119.914 -0.001 0.000 2.333 119 V HA 0.866 5.184 4.120 -0.012 -0.205 0.274 119 V C -1.239 174.873 176.094 0.030 0.000 1.028 119 V CA -2.395 59.906 62.300 0.001 0.000 0.851 119 V CB -0.241 31.578 31.823 -0.006 0.000 1.000 119 V HN -0.030 8.163 8.190 0.005 0.000 0.456 120 A N 7.597 130.442 122.820 0.043 0.000 2.365 120 A HA 0.428 4.806 4.320 0.097 0.000 0.318 120 A C -1.782 175.846 177.584 0.074 0.000 1.091 120 A CA -1.257 50.836 52.037 0.094 0.000 0.763 120 A CB 3.319 22.429 19.000 0.183 0.000 1.248 120 A HN 0.841 9.002 8.150 0.017 0.000 0.442 121 T N 2.415 117.008 114.554 0.065 0.000 2.887 121 T HA 0.478 4.998 4.350 0.034 -0.150 0.288 121 T C -1.296 173.439 174.700 0.057 0.000 1.021 121 T CA -1.688 60.427 62.100 0.026 0.000 1.000 121 T CB 2.222 71.069 68.868 -0.036 0.000 1.034 121 T HN -0.111 8.174 8.240 0.074 0.000 0.467 122 Y N 8.137 128.371 120.300 -0.109 0.000 2.336 122 Y HA -0.012 4.557 4.550 0.031 0.000 0.335 122 Y C -0.651 175.173 175.900 -0.127 0.000 1.046 122 Y CA -1.916 56.140 58.100 -0.073 0.000 1.198 122 Y CB 1.024 39.423 38.460 -0.102 0.000 1.182 122 Y HN 0.067 8.392 8.280 0.075 0.000 0.502 123 H N 8.161 127.103 119.070 -0.213 0.000 3.253 123 H HA -0.158 4.261 4.556 -0.227 0.000 0.250 123 H C -0.547 174.344 175.328 -0.728 0.000 1.051 123 H CA 1.464 57.312 56.048 -0.333 0.000 1.458 123 H CB -0.660 29.050 29.762 -0.087 0.000 1.549 123 H HN 0.189 8.696 8.280 0.379 0.000 0.506 124 R N 3.710 123.918 120.500 -0.486 0.000 1.006 124 R HA -0.163 4.044 4.340 -0.221 0.000 0.432 124 R C -1.560 174.471 176.300 -0.448 0.000 1.343 124 R CA -0.026 55.844 56.100 -0.384 0.000 0.824 124 R CB -0.118 30.013 30.300 -0.282 0.000 2.802 124 R HN -0.411 7.618 8.270 -0.401 0.000 0.525 125 A N 3.526 126.209 122.820 -0.228 0.000 2.192 125 A HA 0.139 4.383 4.320 -0.341 -0.129 0.208 125 A C -0.387 177.247 177.584 0.084 0.000 1.220 125 A CA -0.520 51.416 52.037 -0.168 0.000 0.900 125 A CB 1.891 20.782 19.000 -0.182 0.000 0.937 125 A HN 0.353 8.404 8.150 -0.165 0.000 0.487 126 I N -2.412 118.203 120.570 0.075 0.000 4.520 126 I HA -0.358 3.849 4.170 0.061 0.000 0.126 126 I C -1.651 174.544 176.117 0.130 0.000 1.109 126 I CA 0.508 61.876 61.300 0.113 0.000 2.683 126 I CB 0.413 38.506 38.000 0.155 0.000 1.702 126 I HN -0.146 8.068 8.210 0.006 0.000 0.330 127 K N 6.667 127.116 120.400 0.081 0.000 2.298 127 K HA 0.040 4.562 4.320 0.070 -0.160 0.280 127 K C 0.071 176.731 176.600 0.101 0.000 1.032 127 K CA 0.004 56.334 56.287 0.072 0.000 0.958 127 K CB 0.614 33.137 32.500 0.038 0.000 0.978 127 K HN -0.054 8.228 8.250 0.055 0.000 0.472 128 I N 2.226 122.852 120.570 0.093 0.000 2.440 128 I HA 0.215 4.528 4.170 0.170 -0.041 0.294 128 I C -1.267 174.923 176.117 0.122 0.000 0.995 128 I CA -1.160 60.206 61.300 0.110 0.000 1.306 128 I CB 1.224 39.243 38.000 0.032 0.000 1.407 128 I HN 0.795 8.943 8.210 0.072 0.106 0.501 129 T N 3.639 118.310 114.554 0.195 0.000 2.889 129 T HA 0.164 4.585 4.350 0.118 0.000 0.291 129 T C 0.747 175.549 174.700 0.169 0.000 0.995 129 T CA -1.137 61.067 62.100 0.173 0.000 1.092 129 T CB 1.790 70.772 68.868 0.190 0.000 0.954 129 T HN -0.005 8.344 8.240 0.287 0.063 0.506 130 V N 6.482 126.465 119.914 0.115 0.000 2.302 130 V HA -0.205 3.977 4.120 0.103 0.000 0.243 130 V C 1.446 177.605 176.094 0.109 0.000 1.036 130 V CA 3.807 66.167 62.300 0.099 0.000 1.020 130 V CB 0.517 32.378 31.823 0.064 0.000 0.657 130 V HN 0.582 8.828 8.190 0.093 0.000 0.453 131 D N -2.395 118.057 120.400 0.087 0.000 2.845 131 D HA 0.012 4.688 4.640 0.059 0.000 0.272 131 D C 0.646 176.980 176.300 0.057 0.000 1.275 131 D CA 0.756 54.793 54.000 0.062 0.000 1.029 131 D CB 0.954 41.778 40.800 0.041 0.000 1.131 131 D HN -0.236 8.179 8.370 0.076 0.000 0.423 132 G N -1.165 107.669 108.800 0.055 0.000 2.361 132 G HA2 -0.117 3.887 3.960 0.073 0.000 0.331 132 G HA3 -0.117 3.851 3.960 0.014 0.000 0.331 132 G C -2.304 172.609 174.900 0.022 0.000 1.324 132 G CA -0.477 44.648 45.100 0.042 0.000 0.984 132 G HN -0.574 7.749 8.290 0.054 0.000 0.586 133 P HA 0.059 4.479 4.420 0.001 0.000 0.217 133 P C -0.747 176.548 177.300 -0.007 0.000 1.154 133 P CA 0.699 63.798 63.100 -0.002 0.000 0.841 133 P CB 0.579 32.273 31.700 -0.012 0.000 0.788 134 R N -1.978 118.514 120.500 -0.014 0.000 2.728 134 R HA 0.181 4.513 4.340 -0.013 0.000 0.259 134 R C -1.948 174.335 176.300 -0.029 0.000 1.057 134 R CA -0.444 55.646 56.100 -0.018 0.000 0.908 134 R CB 0.760 31.050 30.300 -0.017 0.000 1.259 134 R HN -0.484 7.775 8.270 -0.018 0.000 0.472 135 E N 0.000 120.183 120.200 -0.029 0.000 2.725 135 E HA 0.000 4.322 4.350 -0.047 0.000 0.291 135 E CA 0.000 56.377 56.400 -0.038 0.000 0.976 135 E CB 0.000 29.674 29.700 -0.044 0.000 0.812 135 E HN 0.000 8.348 8.360 -0.021 0.000 0.440