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 2hpu_1_A DATA FIRST_RESID 35 DATA SEQUENCE KAQIFLEGSP APLFFSQVRD AIAYARGPEQ IAPILVIYVN DMGAAGATWD DATA SEQUENCE QPGDGNWIAA DKAFYVVGSA RRGGMGAPEA VPFSSRDEAA AFVLAEGGQV DATA SEQUENCE LALADITDAM VLTPVETGSE PRADDE 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 35 K HA 0.000 4.419 4.320 0.165 0.000 0.191 35 K C 0.000 176.697 176.600 0.161 0.000 0.988 35 K CA 0.000 56.379 56.287 0.153 0.000 0.838 35 K CB 0.000 32.589 32.500 0.149 0.000 1.064 36 A N 3.212 126.144 122.820 0.187 0.000 2.486 36 A HA 0.751 5.300 4.320 0.187 -0.117 0.300 36 A C -3.043 174.676 177.584 0.225 0.000 1.048 36 A CA -1.032 51.121 52.037 0.195 0.000 0.696 36 A CB 4.403 23.512 19.000 0.180 0.000 1.278 36 A HN 1.131 9.293 8.150 0.205 0.110 0.405 37 Q N 0.089 120.029 119.800 0.232 0.000 2.284 37 Q HA 1.083 5.806 4.340 0.249 -0.235 0.269 37 Q C -1.793 174.355 176.000 0.247 0.000 1.026 37 Q CA -1.911 54.045 55.803 0.255 0.000 0.831 37 Q CB 3.901 32.797 28.738 0.263 0.000 1.322 37 Q HN 0.962 9.369 8.270 0.229 0.000 0.419 38 I N -2.928 117.776 120.570 0.223 0.000 2.406 38 I HA 0.554 4.832 4.170 0.180 0.000 0.290 38 I C -2.575 173.681 176.117 0.232 0.000 0.999 38 I CA -1.941 59.476 61.300 0.194 0.000 1.124 38 I CB 2.812 40.899 38.000 0.145 0.000 1.289 38 I HN 0.937 9.164 8.210 0.212 0.110 0.441 39 F N 7.798 127.800 119.950 0.087 0.000 2.391 39 F HA 0.316 4.895 4.527 0.087 0.000 0.359 39 F C -2.469 173.361 175.800 0.050 0.000 1.122 39 F CA -1.009 57.041 58.000 0.083 0.000 1.120 39 F CB 2.040 41.111 39.000 0.117 0.000 1.142 39 F HN 0.754 9.239 8.300 0.308 0.000 0.483 40 L N 6.887 127.884 121.223 -0.377 0.000 2.334 40 L HA 0.289 4.706 4.340 -0.101 -0.137 0.277 40 L C -0.347 176.310 176.870 -0.355 0.000 1.075 40 L CA -1.148 53.541 54.840 -0.252 0.000 0.804 40 L CB 1.258 43.217 42.059 -0.167 0.000 1.174 40 L HN 0.501 8.424 8.230 -0.512 0.000 0.438 41 E N 4.183 124.300 120.200 -0.139 0.000 2.324 41 E HA -0.194 4.121 4.350 -0.059 0.000 0.271 41 E C 0.046 176.591 176.600 -0.091 0.000 1.028 41 E CA 1.233 57.587 56.400 -0.076 0.000 0.890 41 E CB 0.603 30.300 29.700 -0.004 0.000 1.004 41 E HN 0.660 8.859 8.360 -0.075 0.116 0.431 42 G N 3.339 112.087 108.800 -0.085 0.000 2.258 42 G HA2 -0.339 3.600 3.960 -0.034 0.000 0.233 42 G HA3 -0.339 3.589 3.960 -0.052 0.000 0.233 42 G C -0.287 174.552 174.900 -0.101 0.000 1.006 42 G CA -0.342 44.718 45.100 -0.066 0.000 0.620 42 G HN 0.289 8.539 8.290 -0.066 0.000 0.511 43 S N 2.232 117.818 115.700 -0.189 0.000 2.489 43 S HA 0.317 4.715 4.470 -0.120 0.000 0.277 43 S C -1.176 173.269 174.600 -0.257 0.000 1.230 43 S CA -3.095 54.983 58.200 -0.204 0.000 1.053 43 S CB 1.436 64.501 63.200 -0.225 0.000 0.955 43 S HN -0.648 7.316 8.310 -0.238 0.203 0.488 44 P HA 0.069 4.503 4.420 0.023 0.000 0.245 44 P C -1.836 175.471 177.300 0.012 0.000 1.212 44 P CA 0.091 63.176 63.100 -0.025 0.000 0.774 44 P CB 0.246 31.949 31.700 0.005 0.000 0.999 45 A N 0.023 122.807 122.820 -0.061 0.000 2.422 45 A HA 0.458 4.839 4.320 0.102 0.000 0.302 45 A C -3.009 174.565 177.584 -0.016 0.000 1.041 45 A CA -2.456 49.593 52.037 0.021 0.000 0.708 45 A CB 1.204 20.226 19.000 0.036 0.000 1.257 45 A HN -0.638 7.345 8.150 -0.136 0.086 0.414 46 P HA 0.348 4.923 4.420 0.084 -0.105 0.286 46 P C -1.625 175.802 177.300 0.212 0.000 1.261 46 P CA -1.158 62.059 63.100 0.194 0.000 0.821 46 P CB 1.440 33.361 31.700 0.368 0.000 1.013 47 L N 3.441 124.754 121.223 0.151 0.000 2.283 47 L HA 0.281 4.615 4.340 -0.010 0.000 0.287 47 L C -1.874 175.057 176.870 0.101 0.000 1.073 47 L CA -0.413 54.468 54.840 0.067 0.000 0.822 47 L CB 0.828 42.917 42.059 0.051 0.000 1.186 47 L HN 0.535 8.843 8.230 0.131 0.000 0.436 48 F N 2.539 122.333 119.950 -0.259 0.000 2.520 48 F HA 0.935 5.602 4.527 -0.047 -0.168 0.322 48 F C -1.555 173.937 175.800 -0.514 0.000 1.103 48 F CA -3.621 54.247 58.000 -0.220 0.000 0.926 48 F CB 2.194 41.106 39.000 -0.146 0.000 1.154 48 F HN -0.260 7.775 8.300 -0.441 0.000 0.453 49 F N 1.951 121.883 119.950 -0.031 0.000 2.662 49 F HA 0.370 4.781 4.527 -0.193 0.000 0.312 49 F C -0.151 175.667 175.800 0.029 0.000 1.113 49 F CA -0.937 57.000 58.000 -0.104 0.000 0.951 49 F CB 3.907 42.800 39.000 -0.178 0.000 1.344 49 F HN 0.742 9.057 8.300 0.202 0.106 0.462 50 S N -0.056 115.795 115.700 0.252 0.000 2.371 50 S HA -0.246 4.332 4.470 0.180 0.000 0.224 50 S C -0.333 174.381 174.600 0.190 0.000 1.029 50 S CA 1.965 60.280 58.200 0.192 0.000 0.978 50 S CB -0.061 63.237 63.200 0.163 0.000 0.833 50 S HN 0.311 8.784 8.310 0.272 0.000 0.466 51 Q N 1.519 121.428 119.800 0.183 0.000 2.263 51 Q HA -0.143 4.335 4.340 0.230 0.000 0.270 51 Q C 0.233 176.325 176.000 0.154 0.000 1.104 51 Q CA 0.631 56.539 55.803 0.176 0.000 0.909 51 Q CB -0.317 28.479 28.738 0.095 0.000 1.214 51 Q HN -0.178 8.196 8.270 0.172 0.000 0.400 52 V N 5.869 125.869 119.914 0.143 0.000 2.283 52 V HA -0.436 3.768 4.120 0.139 0.000 0.243 52 V C 1.417 177.577 176.094 0.110 0.000 1.039 52 V CA 4.447 66.817 62.300 0.118 0.000 1.016 52 V CB -0.093 31.773 31.823 0.072 0.000 0.650 52 V HN 0.346 8.624 8.190 0.146 0.000 0.449 53 R N -1.793 118.768 120.500 0.100 0.000 2.117 53 R HA -0.347 4.031 4.340 0.064 0.000 0.243 53 R C 1.856 178.235 176.300 0.131 0.000 1.143 53 R CA 2.851 59.010 56.100 0.099 0.000 0.968 53 R CB -1.616 28.747 30.300 0.106 0.000 0.863 53 R HN 0.274 8.606 8.270 0.103 0.000 0.444 54 D N -2.246 118.231 120.400 0.129 0.000 2.110 54 D HA -0.192 4.539 4.640 0.152 0.000 0.202 54 D C 1.597 178.005 176.300 0.180 0.000 0.975 54 D CA 3.285 57.353 54.000 0.113 0.000 0.839 54 D CB -0.158 40.612 40.800 -0.050 0.000 0.996 54 D HN -0.119 8.307 8.370 0.129 0.022 0.464 55 A N -0.669 122.211 122.820 0.101 0.000 1.933 55 A HA -0.218 4.109 4.320 0.013 0.000 0.218 55 A C 2.376 180.099 177.584 0.232 0.000 1.175 55 A CA 3.064 55.185 52.037 0.141 0.000 0.628 55 A CB -0.491 18.627 19.000 0.197 0.000 0.814 55 A HN -0.491 7.710 8.150 0.084 0.000 0.444 56 I N -5.385 115.311 120.570 0.210 0.000 2.394 56 I HA -0.398 3.908 4.170 0.227 0.000 0.251 56 I C 1.973 178.221 176.117 0.219 0.000 1.136 56 I CA 2.964 64.399 61.300 0.226 0.000 1.425 56 I CB -0.658 37.485 38.000 0.238 0.000 1.079 56 I HN 0.324 8.642 8.210 0.180 0.000 0.425 57 A N 1.598 124.546 122.820 0.213 0.000 1.902 57 A HA -0.285 4.106 4.320 0.118 0.000 0.217 57 A C 2.370 180.030 177.584 0.127 0.000 1.181 57 A CA 2.730 54.857 52.037 0.150 0.000 0.623 57 A CB -0.759 18.308 19.000 0.112 0.000 0.818 57 A HN -0.483 7.691 8.150 0.216 0.105 0.443 58 Y N -1.210 119.116 120.300 0.043 0.000 2.274 58 Y HA -0.366 4.199 4.550 0.024 0.000 0.290 58 Y C 2.465 178.393 175.900 0.048 0.000 1.145 58 Y CA 3.164 61.288 58.100 0.041 0.000 1.203 58 Y CB -0.641 37.854 38.460 0.058 0.000 0.984 58 Y HN -0.411 8.128 8.280 0.575 0.086 0.533 59 A N -3.399 119.551 122.820 0.218 0.000 2.121 59 A HA -0.185 4.209 4.320 0.123 0.000 0.218 59 A C 0.050 177.681 177.584 0.078 0.000 1.154 59 A CA 1.911 54.028 52.037 0.133 0.000 0.679 59 A CB -0.590 18.487 19.000 0.128 0.000 0.795 59 A HN -0.570 7.622 8.150 0.256 0.112 0.458 60 R N -3.651 116.894 120.500 0.075 0.000 2.362 60 R HA 0.031 4.389 4.340 0.030 0.000 0.227 60 R C 0.023 176.331 176.300 0.012 0.000 0.905 60 R CA 0.313 56.438 56.100 0.042 0.000 1.067 60 R CB 0.585 30.921 30.300 0.061 0.000 1.078 60 R HN -0.408 7.719 8.270 0.097 0.201 0.516 61 G N -1.337 107.462 108.800 -0.002 0.000 3.128 61 G HA2 0.308 4.255 3.960 -0.022 0.000 0.158 61 G HA3 0.308 4.232 3.960 -0.060 0.000 0.158 61 G C -2.279 172.599 174.900 -0.037 0.000 1.289 61 G CA 1.010 46.090 45.100 -0.033 0.000 0.829 61 G HN -0.513 7.620 8.290 0.018 0.168 0.618 62 P HA -0.150 4.236 4.420 -0.055 0.000 0.234 62 P C 0.135 177.457 177.300 0.036 0.000 1.162 62 P CA 1.258 64.331 63.100 -0.046 0.000 0.759 62 P CB -0.405 31.216 31.700 -0.131 0.000 0.813 63 E N -2.900 117.324 120.200 0.041 0.000 2.512 63 E HA -0.179 4.208 4.350 0.062 0.000 0.195 63 E C 1.455 178.066 176.600 0.018 0.000 1.083 63 E CA 0.506 56.932 56.400 0.044 0.000 0.873 63 E CB -2.066 27.661 29.700 0.045 0.000 0.897 63 E HN -0.267 7.990 8.360 0.028 0.119 0.514 64 Q N -1.698 118.107 119.800 0.009 0.000 2.364 64 Q HA -0.255 4.085 4.340 -0.001 0.000 0.209 64 Q C 1.500 177.501 176.000 0.001 0.000 0.977 64 Q CA 1.853 57.657 55.803 0.001 0.000 0.885 64 Q CB -0.781 27.954 28.738 -0.005 0.000 0.941 64 Q HN -0.430 7.734 8.270 0.007 0.110 0.464 65 I N -2.293 118.281 120.570 0.007 0.000 2.233 65 I HA -0.268 3.902 4.170 0.000 0.000 0.243 65 I C -0.564 175.549 176.117 -0.008 0.000 1.093 65 I CA 0.284 61.586 61.300 0.003 0.000 1.380 65 I CB 0.481 38.488 38.000 0.011 0.000 1.067 65 I HN -0.819 7.351 8.210 0.015 0.049 0.413 66 A N -2.267 120.546 122.820 -0.010 0.000 2.547 66 A HA 0.370 4.676 4.320 -0.023 0.000 0.297 66 A C -3.501 174.070 177.584 -0.022 0.000 1.056 66 A CA -2.284 49.737 52.037 -0.026 0.000 0.688 66 A CB 1.272 20.241 19.000 -0.052 0.000 1.282 66 A HN -0.808 7.341 8.150 -0.000 0.000 0.400 67 P HA 0.051 4.607 4.420 -0.006 -0.140 0.271 67 P C -0.502 176.791 177.300 -0.012 0.000 1.216 67 P CA -0.788 62.304 63.100 -0.012 0.000 0.776 67 P CB 0.821 32.515 31.700 -0.010 0.000 0.881 68 I N -2.276 118.294 120.570 -0.000 0.000 2.494 68 I HA -0.098 4.079 4.170 0.012 0.000 0.289 68 I C -0.830 175.296 176.117 0.016 0.000 1.106 68 I CA 0.317 61.623 61.300 0.011 0.000 1.369 68 I CB -0.946 37.063 38.000 0.016 0.000 1.410 68 I HN -0.483 7.922 8.210 0.001 -0.194 0.523 69 L N 8.236 129.489 121.223 0.051 0.000 2.049 69 L HA -0.002 4.367 4.340 0.047 0.000 0.203 69 L C -0.957 175.939 176.870 0.043 0.000 1.074 69 L CA 1.903 56.792 54.840 0.082 0.000 0.749 69 L CB 1.156 43.336 42.059 0.201 0.000 0.907 69 L HN 0.517 8.781 8.230 0.058 0.000 0.439 70 V N -7.397 112.545 119.914 0.048 0.000 3.023 70 V HA 0.259 4.298 4.120 -0.134 0.000 0.294 70 V C -2.714 173.282 176.094 -0.164 0.000 1.324 70 V CA -0.950 61.277 62.300 -0.121 0.000 0.979 70 V CB 3.392 35.073 31.823 -0.236 0.000 1.093 70 V HN -0.713 7.561 8.190 0.140 0.000 0.434 71 I N 6.012 126.439 120.570 -0.239 0.000 2.404 71 I HA 0.610 4.892 4.170 -0.014 -0.121 0.293 71 I C -2.560 173.400 176.117 -0.262 0.000 0.992 71 I CA -1.865 59.358 61.300 -0.130 0.000 1.149 71 I CB 2.440 40.449 38.000 0.014 0.000 1.315 71 I HN 0.098 8.163 8.210 -0.241 0.000 0.446 72 Y N 6.998 127.359 120.300 0.101 0.000 2.377 72 Y HA 0.428 5.139 4.550 0.081 -0.113 0.339 72 Y C -1.128 174.833 175.900 0.103 0.000 1.011 72 Y CA -1.714 56.436 58.100 0.084 0.000 1.093 72 Y CB 2.344 40.833 38.460 0.048 0.000 1.201 72 Y HN 0.708 9.108 8.280 0.200 0.000 0.455 73 V N -3.344 116.721 119.914 0.251 0.000 2.789 73 V HA 0.595 4.927 4.120 0.191 -0.098 0.311 73 V C -1.716 174.488 176.094 0.184 0.000 1.073 73 V CA -3.019 59.393 62.300 0.187 0.000 0.921 73 V CB 2.912 34.816 31.823 0.135 0.000 1.009 73 V HN 1.132 9.368 8.190 0.260 0.110 0.426 74 N N 5.392 124.198 118.700 0.178 0.000 2.521 74 N HA 0.076 5.102 4.740 0.302 -0.105 0.236 74 N C -1.264 174.293 175.510 0.078 0.000 1.067 74 N CA -0.227 52.948 53.050 0.210 0.000 0.939 74 N CB 0.546 39.183 38.487 0.250 0.000 1.201 74 N HN 0.565 8.926 8.380 0.166 0.118 0.511 75 D N 4.108 124.490 120.400 -0.029 0.000 2.433 75 D HA -0.253 4.291 4.640 -0.160 0.000 0.274 75 D C -0.957 175.257 176.300 -0.144 0.000 1.344 75 D CA 1.223 55.111 54.000 -0.186 0.000 0.989 75 D CB 0.221 40.758 40.800 -0.439 0.000 1.116 75 D HN 0.337 8.701 8.370 -0.010 0.000 0.533 76 M N 5.581 125.139 119.600 -0.069 0.000 3.718 76 M HA 0.244 4.797 4.480 -0.028 -0.089 0.421 76 M C -0.159 176.144 176.300 0.006 0.000 1.795 76 M CA -0.934 54.356 55.300 -0.016 0.000 0.603 76 M CB 0.215 32.833 32.600 0.030 0.000 1.428 76 M HN -0.187 8.068 8.290 -0.060 0.000 0.514 77 G N 0.309 109.113 108.800 0.007 0.000 2.990 77 G HA2 -0.577 3.428 3.960 0.075 0.000 0.225 77 G HA3 -0.577 3.405 3.960 0.036 0.000 0.225 77 G C -0.100 174.787 174.900 -0.021 0.000 1.304 77 G CA 1.417 46.535 45.100 0.030 0.000 0.816 77 G HN 0.004 8.284 8.290 -0.017 0.000 0.528 78 A N 1.802 124.616 122.820 -0.011 0.000 1.738 78 A HA -0.497 3.836 4.320 0.021 0.000 0.336 78 A C -0.125 177.445 177.584 -0.023 0.000 1.830 78 A CA 2.172 54.198 52.037 -0.019 0.000 1.071 78 A CB -1.420 17.539 19.000 -0.069 0.000 1.468 78 A HN 0.084 8.154 8.150 0.011 0.086 0.710 79 A N 0.489 123.257 122.820 -0.085 0.000 2.197 79 A HA 0.181 4.497 4.320 -0.007 0.000 0.210 79 A C 1.010 178.593 177.584 -0.001 0.000 1.180 79 A CA 0.516 52.520 52.037 -0.055 0.000 0.846 79 A CB 1.365 20.308 19.000 -0.095 0.000 0.884 79 A HN -0.107 7.933 8.150 -0.152 0.019 0.487 80 G N -1.063 107.709 108.800 -0.046 0.000 2.418 80 G HA2 -0.255 3.994 3.960 0.481 0.000 0.217 80 G HA3 -0.255 3.797 3.960 0.153 0.000 0.217 80 G C -0.540 174.433 174.900 0.121 0.000 1.158 80 G CA 1.560 46.763 45.100 0.171 0.000 0.771 80 G HN -0.120 7.997 8.290 -0.138 0.090 0.545 81 A N -0.929 121.916 122.820 0.041 0.000 3.179 81 A HA 0.440 4.758 4.320 -0.003 0.000 0.213 81 A C -1.578 175.968 177.584 -0.064 0.000 1.752 81 A CA -0.786 51.248 52.037 -0.006 0.000 0.857 81 A CB 1.124 20.121 19.000 -0.005 0.000 1.798 81 A HN -0.472 7.693 8.150 0.024 0.000 0.606 82 T N -6.485 107.985 114.554 -0.140 0.000 2.910 82 T HA 0.233 4.411 4.350 -0.286 0.000 0.279 82 T C 1.697 176.304 174.700 -0.155 0.000 0.989 82 T CA -2.688 59.231 62.100 -0.303 0.000 0.968 82 T CB 1.875 70.391 68.868 -0.586 0.000 1.135 82 T HN -0.282 7.887 8.240 -0.119 0.000 0.562 83 W N -2.213 119.099 121.300 0.020 0.000 2.480 83 W HA -0.142 4.531 4.660 0.022 0.000 0.257 83 W C -0.154 176.382 176.519 0.028 0.000 1.235 83 W CA 0.444 57.801 57.345 0.020 0.000 1.218 83 W CB -1.258 28.206 29.460 0.007 0.000 1.131 83 W HN 0.603 8.497 8.180 -0.476 0.000 0.606 84 D N -1.100 119.370 120.400 0.117 0.000 2.162 84 D HA -0.100 4.694 4.640 0.256 0.000 0.203 84 D C -0.072 176.279 176.300 0.086 0.000 0.967 84 D CA 0.959 55.045 54.000 0.143 0.000 0.840 84 D CB 1.389 42.216 40.800 0.045 0.000 0.972 84 D HN -0.780 7.385 8.370 -0.221 0.072 0.482 85 Q N -4.681 115.139 119.800 0.034 0.000 3.240 85 Q HA -0.281 4.110 4.340 0.021 -0.040 0.024 85 Q C -2.092 173.926 176.000 0.030 0.000 1.714 85 Q CA 0.018 55.843 55.803 0.037 0.000 0.236 85 Q CB -1.505 27.273 28.738 0.066 0.000 0.682 85 Q HN -0.427 7.731 8.270 -0.018 0.101 0.322 86 P HA -0.036 4.396 4.420 0.019 0.000 0.212 86 P C -0.083 177.235 177.300 0.030 0.000 1.179 86 P CA 0.796 63.912 63.100 0.026 0.000 0.898 86 P CB 0.796 32.514 31.700 0.030 0.000 0.775 87 G N -2.135 106.684 108.800 0.031 0.000 2.548 87 G HA2 -0.022 3.960 3.960 0.037 0.000 0.301 87 G HA3 -0.022 3.953 3.960 0.025 0.000 0.301 87 G C -3.042 171.873 174.900 0.024 0.000 1.349 87 G CA -0.323 44.795 45.100 0.030 0.000 0.792 87 G HN -0.582 7.726 8.290 0.031 0.000 0.481 88 D N -1.222 119.192 120.400 0.024 0.000 2.389 88 D HA -0.077 4.584 4.640 0.035 0.000 0.247 88 D C -0.455 175.813 176.300 -0.054 0.000 1.128 88 D CA 1.577 55.586 54.000 0.015 0.000 0.884 88 D CB 0.676 41.506 40.800 0.050 0.000 1.194 88 D HN 0.034 8.421 8.370 0.028 0.000 0.441 89 G N 2.720 111.446 108.800 -0.123 0.000 3.190 89 G HA2 0.329 4.181 3.960 -0.178 0.000 0.191 89 G HA3 0.329 4.262 3.960 -0.190 -0.088 0.191 89 G C -1.575 173.066 174.900 -0.432 0.000 1.523 89 G CA 0.274 45.244 45.100 -0.217 0.000 0.842 89 G HN 0.129 8.362 8.290 -0.094 0.000 0.782 90 N N 1.198 119.638 118.700 -0.433 0.000 2.466 90 N HA 0.305 4.622 4.740 -0.705 0.000 0.294 90 N C -1.077 174.186 175.510 -0.411 0.000 1.129 90 N CA -0.264 52.476 53.050 -0.516 0.000 0.931 90 N CB 1.905 40.172 38.487 -0.366 0.000 1.193 90 N HN -0.319 8.035 8.380 -0.372 -0.197 0.500 91 W N -1.149 120.126 121.300 -0.042 0.000 2.376 91 W HA 0.358 5.133 4.660 -0.016 -0.124 0.312 91 W C -0.162 176.364 176.519 0.011 0.000 1.060 91 W CA -1.611 55.725 57.345 -0.015 0.000 1.221 91 W CB 0.304 29.756 29.460 -0.013 0.000 1.281 91 W HN 0.151 8.035 8.180 -0.493 0.000 0.456 92 I N -3.861 116.848 120.570 0.232 0.000 3.102 92 I HA 0.490 4.776 4.170 0.192 0.000 0.310 92 I C -2.147 174.106 176.117 0.226 0.000 1.246 92 I CA -1.845 59.564 61.300 0.181 0.000 0.979 92 I CB 4.147 42.200 38.000 0.088 0.000 1.267 92 I HN 0.633 8.988 8.210 0.242 0.000 0.451 93 A N 1.446 124.372 122.820 0.177 0.000 2.294 93 A HA 0.408 4.865 4.320 0.053 -0.106 0.316 93 A C 0.289 177.883 177.584 0.017 0.000 1.359 93 A CA -1.525 50.541 52.037 0.049 0.000 0.956 93 A CB 0.213 19.168 19.000 -0.076 0.000 1.155 93 A HN 0.369 8.611 8.150 0.153 0.000 0.544 94 A N 6.710 129.562 122.820 0.055 0.000 1.978 94 A HA -0.331 4.106 4.320 0.195 0.000 0.220 94 A C 1.355 178.955 177.584 0.027 0.000 1.170 94 A CA 2.905 55.032 52.037 0.149 0.000 0.636 94 A CB -0.436 18.737 19.000 0.289 0.000 0.810 94 A HN 0.769 8.954 8.150 0.058 0.000 0.448 95 D N -4.070 116.282 120.400 -0.081 0.000 2.218 95 D HA -0.235 4.290 4.640 -0.191 0.000 0.204 95 D C 0.292 176.506 176.300 -0.142 0.000 0.976 95 D CA 2.376 56.287 54.000 -0.148 0.000 0.853 95 D CB 0.114 40.818 40.800 -0.161 0.000 0.939 95 D HN -0.593 7.694 8.370 -0.101 0.023 0.481 96 K N -3.103 117.231 120.400 -0.110 0.000 2.699 96 K HA 0.192 4.433 4.320 -0.133 0.000 0.210 96 K C -1.307 175.225 176.600 -0.113 0.000 1.076 96 K CA -1.627 54.596 56.287 -0.108 0.000 1.109 96 K CB -0.310 32.148 32.500 -0.070 0.000 0.862 96 K HN -0.275 7.755 8.250 -0.090 0.165 0.470 97 A N -1.619 121.136 122.820 -0.110 0.000 2.504 97 A HA 0.317 4.551 4.320 -0.144 0.000 0.285 97 A C -2.732 174.773 177.584 -0.131 0.000 1.261 97 A CA -1.101 50.893 52.037 -0.071 0.000 0.741 97 A CB 2.604 21.674 19.000 0.118 0.000 1.327 97 A HN -0.490 7.528 8.150 -0.104 0.070 0.441 98 F N -3.601 116.457 119.950 0.180 0.000 2.394 98 F HA 0.431 5.058 4.527 0.166 0.000 0.340 98 F C -1.037 174.944 175.800 0.301 0.000 1.105 98 F CA -0.387 57.731 58.000 0.197 0.000 1.124 98 F CB 1.702 40.793 39.000 0.151 0.000 1.145 98 F HN -0.234 8.324 8.300 0.431 0.000 0.505 99 Y N 2.561 122.983 120.300 0.204 0.000 2.409 99 Y HA 0.251 4.867 4.550 0.110 0.000 0.343 99 Y C -1.966 174.006 175.900 0.121 0.000 0.973 99 Y CA -1.267 56.907 58.100 0.123 0.000 1.064 99 Y CB 3.832 42.334 38.460 0.070 0.000 1.207 99 Y HN 0.676 9.113 8.280 0.448 0.111 0.452 100 V N 4.719 124.684 119.914 0.085 0.000 2.409 100 V HA 0.871 5.330 4.120 0.162 -0.241 0.291 100 V C -2.137 173.999 176.094 0.070 0.000 1.020 100 V CA -3.110 59.249 62.300 0.097 0.000 0.848 100 V CB 3.068 34.948 31.823 0.095 0.000 0.990 100 V HN -0.052 8.087 8.190 -0.086 0.000 0.430 101 V N 9.108 129.103 119.914 0.136 0.000 2.350 101 V HA 0.174 4.356 4.120 0.104 0.000 0.276 101 V C -0.460 175.723 176.094 0.148 0.000 1.028 101 V CA -1.330 61.048 62.300 0.130 0.000 0.860 101 V CB 0.948 32.851 31.823 0.134 0.000 0.990 101 V HN 0.233 8.515 8.190 0.153 0.000 0.453 102 G N 5.739 114.643 108.800 0.173 0.000 2.364 102 G HA2 -0.037 4.019 3.960 0.197 0.000 0.267 102 G HA3 -0.037 4.057 3.960 0.222 0.000 0.267 102 G C -1.821 173.137 174.900 0.097 0.000 1.233 102 G CA -0.007 45.201 45.100 0.180 0.000 0.885 102 G HN 0.320 8.705 8.290 0.157 0.000 0.490 103 S N 5.291 121.031 115.700 0.065 0.000 2.441 103 S HA -0.067 4.430 4.470 0.045 0.000 0.224 103 S C 1.144 175.755 174.600 0.018 0.000 1.043 103 S CA 1.484 59.708 58.200 0.039 0.000 0.948 103 S CB 0.890 64.109 63.200 0.032 0.000 0.810 103 S HN -0.359 7.961 8.310 0.065 0.029 0.504 104 A N 1.679 124.498 122.820 -0.002 0.000 1.898 104 A HA 0.023 4.335 4.320 -0.015 0.000 0.214 104 A C 0.556 178.129 177.584 -0.017 0.000 1.183 104 A CA 1.545 53.569 52.037 -0.022 0.000 0.622 104 A CB 0.525 19.493 19.000 -0.053 0.000 0.824 104 A HN -0.244 7.903 8.150 -0.005 0.000 0.444 105 R N -0.841 119.651 120.500 -0.013 0.000 2.472 105 R HA 0.253 4.593 4.340 -0.000 0.000 0.294 105 R C -1.618 174.709 176.300 0.044 0.000 1.243 105 R CA -0.530 55.571 56.100 0.001 0.000 1.023 105 R CB 0.445 30.729 30.300 -0.027 0.000 1.157 105 R HN -0.260 8.002 8.270 -0.013 0.000 0.530 106 R N 0.701 121.226 120.500 0.043 0.000 3.086 106 R HA 0.017 4.392 4.340 0.057 0.000 0.286 106 R C -0.960 175.367 176.300 0.045 0.000 0.958 106 R CA -0.337 55.797 56.100 0.058 0.000 0.822 106 R CB 2.539 32.889 30.300 0.084 0.000 1.382 106 R HN 0.144 8.431 8.270 0.030 0.000 0.519 107 G N 0.700 109.529 108.800 0.048 0.000 3.101 107 G HA2 0.180 4.160 3.960 0.033 0.000 0.272 107 G HA3 0.180 4.319 3.960 0.041 -0.154 0.272 107 G C 0.027 174.950 174.900 0.038 0.000 0.801 107 G CA -0.351 44.773 45.100 0.040 0.000 1.978 107 G HN 0.423 8.746 8.290 0.056 0.000 0.591 108 G N 2.561 111.383 108.800 0.035 0.000 2.418 108 G HA2 -0.250 3.734 3.960 0.039 0.000 0.217 108 G HA3 -0.250 3.728 3.960 0.030 0.000 0.217 108 G C -0.141 174.774 174.900 0.026 0.000 1.158 108 G CA 1.709 46.829 45.100 0.033 0.000 0.771 108 G HN -0.004 8.252 8.290 0.034 0.054 0.545 109 M N -1.121 118.492 119.600 0.022 0.000 2.475 109 M HA 0.375 4.865 4.480 0.016 0.000 0.283 109 M C -0.453 175.857 176.300 0.016 0.000 1.165 109 M CA -0.450 54.860 55.300 0.017 0.000 0.976 109 M CB 0.322 32.930 32.600 0.013 0.000 1.428 109 M HN 0.036 8.339 8.290 0.022 0.000 0.495 110 G N 0.400 109.212 108.800 0.020 0.000 3.382 110 G HA2 0.197 4.166 3.960 0.015 0.000 0.183 110 G HA3 0.197 4.170 3.960 0.022 0.000 0.183 110 G C -2.126 172.788 174.900 0.023 0.000 1.246 110 G CA -0.175 44.937 45.100 0.020 0.000 0.828 110 G HN -0.724 7.422 8.290 0.025 0.159 0.728 111 A N 2.470 125.308 122.820 0.031 0.000 2.582 111 A HA 0.357 4.694 4.320 0.029 0.000 0.336 111 A C -2.233 175.381 177.584 0.051 0.000 1.445 111 A CA -1.922 50.138 52.037 0.038 0.000 0.997 111 A CB -0.020 19.008 19.000 0.046 0.000 1.148 111 A HN 0.138 8.309 8.150 0.034 0.000 0.514 112 P HA 0.184 4.721 4.420 0.062 -0.080 0.280 112 P C -1.588 175.753 177.300 0.069 0.000 1.244 112 P CA -0.384 62.754 63.100 0.062 0.000 0.784 112 P CB 1.286 33.024 31.700 0.063 0.000 0.913 113 E N 3.222 123.462 120.200 0.066 0.000 2.227 113 E HA 0.279 4.665 4.350 0.060 0.000 0.268 113 E C -1.366 175.238 176.600 0.007 0.000 0.907 113 E CA -1.285 55.145 56.400 0.050 0.000 0.786 113 E CB 4.092 33.825 29.700 0.055 0.000 1.191 113 E HN 0.228 8.630 8.360 0.069 0.000 0.411 114 A N 1.890 124.671 122.820 -0.065 0.000 2.331 114 A HA 0.548 4.908 4.320 -0.160 -0.136 0.320 114 A C -1.774 175.592 177.584 -0.363 0.000 1.138 114 A CA -1.595 50.302 52.037 -0.232 0.000 0.790 114 A CB 2.536 21.317 19.000 -0.365 0.000 1.206 114 A HN 0.227 8.352 8.150 -0.042 0.000 0.470 115 V N 2.292 121.955 119.914 -0.418 0.000 2.318 115 V HA 0.461 4.393 4.120 -0.314 0.000 0.271 115 V C -2.764 173.111 176.094 -0.365 0.000 1.030 115 V CA -4.607 57.452 62.300 -0.403 0.000 0.844 115 V CB 1.994 33.479 31.823 -0.563 0.000 1.015 115 V HN -0.209 7.750 8.190 -0.386 0.000 0.460 116 P HA 0.572 5.133 4.420 -0.114 -0.208 0.287 116 P C -1.962 175.366 177.300 0.046 0.000 1.294 116 P CA -0.998 62.006 63.100 -0.160 0.000 0.776 116 P CB -0.132 31.509 31.700 -0.097 0.000 0.889 117 F N 3.471 123.454 119.950 0.056 0.000 2.588 117 F HA 0.360 4.912 4.527 0.040 0.000 0.310 117 F C -0.493 175.421 175.800 0.191 0.000 1.082 117 F CA -1.502 56.541 58.000 0.072 0.000 0.929 117 F CB 4.700 43.705 39.000 0.009 0.000 1.254 117 F HN 0.571 8.964 8.300 0.332 0.106 0.455 118 S N 1.730 117.625 115.700 0.326 0.000 2.414 118 S HA -0.128 4.561 4.470 0.364 0.000 0.227 118 S C -0.330 174.546 174.600 0.461 0.000 1.022 118 S CA 1.267 59.680 58.200 0.355 0.000 0.958 118 S CB -0.216 63.078 63.200 0.157 0.000 0.797 118 S HN 0.421 8.698 8.310 -0.056 0.000 0.493 119 S N 2.269 118.279 115.700 0.515 0.000 2.430 119 S HA 0.073 4.589 4.470 0.076 0.000 0.289 119 S C -0.117 174.375 174.600 -0.180 0.000 1.143 119 S CA -0.609 57.675 58.200 0.139 0.000 1.067 119 S CB 0.557 63.816 63.200 0.098 0.000 0.964 119 S HN -0.242 8.692 8.310 1.040 0.000 0.485 120 R N 7.638 127.768 120.500 -0.617 0.000 2.091 120 R HA -0.414 3.268 4.340 -1.096 0.000 0.238 120 R C 0.729 176.761 176.300 -0.447 0.000 1.136 120 R CA 4.156 59.673 56.100 -0.972 0.000 0.959 120 R CB -0.440 29.057 30.300 -1.338 0.000 0.856 120 R HN 0.714 8.639 8.270 -0.575 0.000 0.437 121 D N -3.794 116.410 120.400 -0.326 0.000 2.178 121 D HA -0.222 4.303 4.640 -0.191 0.000 0.201 121 D C 2.198 178.357 176.300 -0.235 0.000 0.980 121 D CA 3.306 57.173 54.000 -0.221 0.000 0.842 121 D CB -1.349 39.354 40.800 -0.161 0.000 0.948 121 D HN 0.460 8.629 8.370 -0.313 0.013 0.472 122 E N -0.002 119.988 120.200 -0.350 0.000 2.072 122 E HA -0.237 3.896 4.350 -0.362 0.000 0.191 122 E C 2.065 178.444 176.600 -0.368 0.000 0.985 122 E CA 2.752 58.852 56.400 -0.501 0.000 0.801 122 E CB -0.736 28.272 29.700 -1.153 0.000 0.750 122 E HN -0.445 7.683 8.360 -0.361 0.015 0.452 123 A N -0.613 122.028 122.820 -0.299 0.000 1.930 123 A HA -0.255 4.011 4.320 -0.091 0.000 0.217 123 A C 1.929 179.512 177.584 -0.002 0.000 1.175 123 A CA 2.858 54.835 52.037 -0.101 0.000 0.627 123 A CB -0.842 18.148 19.000 -0.016 0.000 0.815 123 A HN -0.688 7.171 8.150 -0.339 0.088 0.443 124 A N -2.222 120.558 122.820 -0.066 0.000 1.930 124 A HA -0.279 4.045 4.320 0.007 0.000 0.217 124 A C 1.750 179.324 177.584 -0.016 0.000 1.175 124 A CA 2.816 54.834 52.037 -0.032 0.000 0.627 124 A CB -0.684 18.274 19.000 -0.070 0.000 0.815 124 A HN 0.328 8.319 8.150 -0.142 0.074 0.443 125 A N -1.088 121.706 122.820 -0.044 0.000 1.933 125 A HA -0.251 4.041 4.320 -0.047 0.000 0.218 125 A C 1.761 179.347 177.584 0.004 0.000 1.175 125 A CA 2.782 54.796 52.037 -0.038 0.000 0.628 125 A CB -0.795 18.164 19.000 -0.069 0.000 0.814 125 A HN -0.196 7.823 8.150 -0.088 0.078 0.444 126 F N -0.840 119.049 119.950 -0.101 0.000 2.171 126 F HA -0.377 4.111 4.527 -0.064 0.000 0.300 126 F C 1.319 177.093 175.800 -0.044 0.000 1.090 126 F CA 3.644 61.603 58.000 -0.068 0.000 1.293 126 F CB 0.398 39.361 39.000 -0.062 0.000 1.013 126 F HN -0.477 7.816 8.300 0.140 0.092 0.486 127 V N -0.897 119.078 119.914 0.102 0.000 2.358 127 V HA -0.450 3.809 4.120 0.039 -0.116 0.246 127 V C 1.473 177.534 176.094 -0.055 0.000 1.047 127 V CA 4.125 66.444 62.300 0.031 0.000 1.035 127 V CB -0.179 31.683 31.823 0.065 0.000 0.658 127 V HN -0.562 7.616 8.190 0.155 0.105 0.452 128 L N -1.770 119.421 121.223 -0.053 0.000 2.081 128 L HA -0.381 3.928 4.340 -0.050 0.000 0.212 128 L C 1.626 178.433 176.870 -0.104 0.000 1.080 128 L CA 2.248 57.048 54.840 -0.066 0.000 0.754 128 L CB -0.318 41.707 42.059 -0.056 0.000 0.893 128 L HN -0.256 7.885 8.230 -0.030 0.070 0.433 129 A N -2.805 119.915 122.820 -0.167 0.000 1.878 129 A HA -0.107 4.121 4.320 -0.153 0.000 0.213 129 A C 0.644 178.076 177.584 -0.254 0.000 1.192 129 A CA 2.251 54.158 52.037 -0.216 0.000 0.619 129 A CB 0.805 19.637 19.000 -0.280 0.000 0.837 129 A HN -0.323 7.599 8.150 -0.177 0.122 0.446 130 E N -7.856 112.133 120.200 -0.353 0.000 2.521 130 E HA 0.078 4.319 4.350 -0.182 0.000 0.199 130 E C 0.438 176.921 176.600 -0.196 0.000 1.006 130 E CA 0.130 56.353 56.400 -0.296 0.000 1.630 130 E CB 1.486 30.954 29.700 -0.386 0.000 2.725 130 E HN 0.321 8.323 8.360 -0.413 0.110 1.103 131 G N 0.595 109.260 108.800 -0.226 0.000 2.647 131 G HA2 -0.219 3.891 3.960 0.251 0.000 0.234 131 G HA3 -0.219 3.950 3.960 0.349 0.000 0.234 131 G C -0.726 174.223 174.900 0.081 0.000 1.252 131 G CA 1.087 46.269 45.100 0.136 0.000 0.846 131 G HN -0.157 7.703 8.290 -0.553 0.098 0.589 132 G N -1.039 107.829 108.800 0.114 0.000 2.760 132 G HA2 0.205 4.194 3.960 0.048 0.000 0.214 132 G HA3 0.205 4.257 3.960 0.075 -0.047 0.214 132 G C -1.003 173.944 174.900 0.078 0.000 1.212 132 G CA 0.325 45.470 45.100 0.075 0.000 0.858 132 G HN 0.087 8.352 8.290 0.160 0.121 0.611 133 Q N 0.379 120.239 119.800 0.099 0.000 2.372 133 Q HA 0.262 4.652 4.340 0.082 0.000 0.273 133 Q C -1.895 174.181 176.000 0.127 0.000 1.078 133 Q CA -1.872 53.989 55.803 0.097 0.000 0.806 133 Q CB 2.803 31.592 28.738 0.086 0.000 1.332 133 Q HN -0.378 7.960 8.270 0.113 0.000 0.435 134 V N 4.278 124.268 119.914 0.127 0.000 2.348 134 V HA 0.619 5.060 4.120 0.192 -0.206 0.270 134 V C -0.190 176.027 176.094 0.204 0.000 1.037 134 V CA -0.233 62.170 62.300 0.172 0.000 0.872 134 V CB -0.025 31.881 31.823 0.140 0.000 1.002 134 V HN 0.248 8.500 8.190 0.103 0.000 0.464 135 L N 3.781 125.139 121.223 0.226 0.000 2.422 135 L HA 0.551 4.993 4.340 0.170 0.000 0.264 135 L C -1.270 175.689 176.870 0.148 0.000 0.984 135 L CA -1.911 53.031 54.840 0.171 0.000 0.819 135 L CB 2.567 44.692 42.059 0.109 0.000 1.330 135 L HN 0.848 9.126 8.230 0.252 0.103 0.410 136 A N 0.615 123.449 122.820 0.022 0.000 2.406 136 A HA 0.207 4.631 4.320 -0.132 -0.183 0.243 136 A C 1.129 178.617 177.584 -0.158 0.000 1.082 136 A CA -0.603 51.359 52.037 -0.126 0.000 0.786 136 A CB 0.691 19.548 19.000 -0.239 0.000 1.029 136 A HN 0.177 8.341 8.150 0.024 0.000 0.495 137 L N 1.215 122.272 121.223 -0.276 0.000 2.191 137 L HA -0.255 3.742 4.340 -0.573 0.000 0.212 137 L C 1.745 178.469 176.870 -0.243 0.000 1.103 137 L CA 2.988 57.574 54.840 -0.424 0.000 0.769 137 L CB 0.066 41.819 42.059 -0.510 0.000 0.908 137 L HN 0.054 8.137 8.230 -0.245 0.000 0.438 138 A N -3.604 119.109 122.820 -0.179 0.000 2.216 138 A HA -0.188 4.063 4.320 -0.114 0.000 0.214 138 A C -0.314 177.216 177.584 -0.090 0.000 1.160 138 A CA 1.749 53.713 52.037 -0.122 0.000 0.725 138 A CB -0.483 18.453 19.000 -0.107 0.000 0.784 138 A HN 0.204 8.221 8.150 -0.190 0.019 0.472 139 D N -3.402 116.944 120.400 -0.090 0.000 2.535 139 D HA 0.134 4.750 4.640 -0.040 0.000 0.229 139 D C -1.410 174.867 176.300 -0.038 0.000 1.238 139 D CA -0.992 52.980 54.000 -0.048 0.000 0.824 139 D CB 1.030 41.815 40.800 -0.024 0.000 1.045 139 D HN -0.221 7.854 8.370 -0.118 0.224 0.500 140 I N 1.271 121.799 120.570 -0.071 0.000 2.517 140 I HA -0.117 4.045 4.170 -0.015 0.000 0.285 140 I C -0.092 176.012 176.117 -0.022 0.000 1.106 140 I CA 0.041 61.311 61.300 -0.051 0.000 1.402 140 I CB -1.137 36.796 38.000 -0.112 0.000 1.399 140 I HN -0.659 7.326 8.210 -0.108 0.160 0.535 141 T N 6.815 121.372 114.554 0.004 0.000 2.888 141 T HA 0.206 4.555 4.350 -0.001 0.000 0.284 141 T C 0.334 175.045 174.700 0.018 0.000 1.017 141 T CA -2.171 59.934 62.100 0.008 0.000 1.022 141 T CB 2.429 71.305 68.868 0.013 0.000 1.013 141 T HN 0.030 8.282 8.240 0.019 0.000 0.465 142 D N 5.441 125.849 120.400 0.014 0.000 2.264 142 D HA -0.187 4.467 4.640 0.023 0.000 0.208 142 D C 0.593 176.906 176.300 0.022 0.000 0.966 142 D CA 2.512 56.522 54.000 0.018 0.000 0.864 142 D CB -0.423 40.383 40.800 0.010 0.000 0.933 142 D HN 0.469 8.844 8.370 0.008 0.000 0.499 143 A N -0.414 122.419 122.820 0.021 0.000 1.969 143 A HA -0.155 4.176 4.320 0.019 0.000 0.218 143 A C 1.022 178.624 177.584 0.030 0.000 1.169 143 A CA 2.267 54.317 52.037 0.022 0.000 0.635 143 A CB -0.204 18.807 19.000 0.019 0.000 0.810 143 A HN -0.509 7.609 8.150 0.018 0.043 0.445 144 M N -4.488 115.134 119.600 0.037 0.000 2.394 144 M HA -0.030 4.476 4.480 0.043 0.000 0.266 144 M C 1.531 177.866 176.300 0.058 0.000 1.098 144 M CA 0.940 56.269 55.300 0.048 0.000 1.149 144 M CB 0.555 33.189 32.600 0.058 0.000 1.369 144 M HN -0.699 7.592 8.290 0.036 0.020 0.450 145 V N -5.129 114.820 119.914 0.059 0.000 2.951 145 V HA -0.167 4.002 4.120 0.082 0.000 0.255 145 V C -0.398 175.727 176.094 0.052 0.000 1.088 145 V CA 1.755 64.096 62.300 0.068 0.000 1.109 145 V CB 0.309 32.177 31.823 0.075 0.000 0.724 145 V HN -0.727 7.494 8.190 0.051 0.000 0.471 146 L N -7.039 114.208 121.223 0.040 0.000 2.526 146 L HA 0.818 5.380 4.340 0.032 -0.203 0.263 146 L C -2.208 174.677 176.870 0.024 0.000 0.943 146 L CA -0.965 53.893 54.840 0.030 0.000 0.859 146 L CB 3.141 45.214 42.059 0.025 0.000 1.313 146 L HN -0.720 7.497 8.230 0.038 0.035 0.406 147 T N -2.612 111.955 114.554 0.022 0.000 2.885 147 T HA 0.636 4.996 4.350 0.017 0.000 0.285 147 T C -0.529 174.178 174.700 0.013 0.000 1.019 147 T CA -3.164 58.946 62.100 0.017 0.000 1.010 147 T CB 0.779 69.658 68.868 0.018 0.000 1.022 147 T HN 0.335 8.588 8.240 0.023 0.000 0.466 148 P HA -0.049 4.376 4.420 0.007 0.000 0.213 148 P C -0.118 177.187 177.300 0.008 0.000 1.170 148 P CA 1.957 65.061 63.100 0.008 0.000 0.898 148 P CB 0.287 31.991 31.700 0.007 0.000 0.787 149 V N -6.330 113.589 119.914 0.008 0.000 3.668 149 V HA 0.189 4.314 4.120 0.008 0.000 0.199 149 V C 0.932 177.032 176.094 0.010 0.000 1.241 149 V CA 0.564 62.869 62.300 0.008 0.000 1.308 149 V CB 1.735 33.562 31.823 0.006 0.000 1.411 149 V HN -0.542 7.654 8.190 0.008 0.000 0.535 150 E N -3.648 116.558 120.200 0.009 0.000 2.142 150 E HA 0.041 4.399 4.350 0.012 0.000 0.282 150 E C -1.042 175.564 176.600 0.009 0.000 1.062 150 E CA 0.446 56.852 56.400 0.010 0.000 2.109 150 E CB 0.464 30.170 29.700 0.010 0.000 2.783 150 E HN -0.085 8.280 8.360 0.008 0.000 1.124 151 T N 0.579 115.137 114.554 0.007 0.000 3.978 151 T HA -0.171 4.182 4.350 0.005 0.000 0.339 151 T C 0.140 174.844 174.700 0.006 0.000 0.764 151 T CA 0.827 62.931 62.100 0.006 0.000 1.874 151 T CB -0.573 68.299 68.868 0.005 0.000 1.901 151 T HN 0.114 8.358 8.240 0.007 0.000 0.814 152 G N -0.282 108.523 108.800 0.007 0.000 2.417 152 G HA2 -0.186 3.779 3.960 0.009 0.000 0.291 152 G HA3 -0.186 3.778 3.960 0.007 0.000 0.291 152 G C -1.084 173.821 174.900 0.009 0.000 1.094 152 G CA -0.278 44.827 45.100 0.008 0.000 1.146 152 G HN -0.215 8.047 8.290 0.008 0.033 0.519 153 S N -0.438 115.269 115.700 0.011 0.000 2.652 153 S HA 0.086 4.562 4.470 0.011 0.000 0.270 153 S C 0.045 174.654 174.600 0.014 0.000 1.243 153 S CA -0.529 57.678 58.200 0.012 0.000 0.999 153 S CB 1.320 64.529 63.200 0.014 0.000 0.973 153 S HN -0.276 8.041 8.310 0.012 0.000 0.544 154 E N 2.623 122.832 120.200 0.014 0.000 2.319 154 E HA 0.186 4.545 4.350 0.015 0.000 0.268 154 E C -1.542 175.070 176.600 0.019 0.000 1.050 154 E CA -2.227 54.183 56.400 0.015 0.000 0.878 154 E CB 0.023 29.731 29.700 0.013 0.000 1.066 154 E HN 0.141 8.509 8.360 0.013 0.000 0.406 155 P HA 0.046 4.484 4.420 0.031 0.000 0.338 155 P C 0.020 177.335 177.300 0.025 0.000 1.428 155 P CA -0.086 63.030 63.100 0.027 0.000 0.867 155 P CB 1.160 32.878 31.700 0.030 0.000 2.125 156 R N -2.266 118.250 120.500 0.027 0.000 2.159 156 R HA -0.332 4.020 4.340 0.021 0.000 0.237 156 R C -0.061 176.248 176.300 0.015 0.000 1.131 156 R CA 2.214 58.327 56.100 0.021 0.000 0.982 156 R CB -0.125 30.189 30.300 0.023 0.000 0.868 156 R HN -0.315 8.172 8.270 0.031 -0.198 0.453 157 A N -4.919 117.910 122.820 0.015 0.000 2.423 157 A HA -0.014 4.313 4.320 0.011 0.000 0.210 157 A C -1.531 176.060 177.584 0.012 0.000 2.187 157 A CA -0.090 51.954 52.037 0.012 0.000 1.488 157 A CB -0.568 18.438 19.000 0.009 0.000 0.837 157 A HN -0.341 7.793 8.150 0.018 0.027 0.547 158 D N -1.721 118.688 120.400 0.014 0.000 3.038 158 D HA -0.344 4.306 4.640 0.016 0.000 0.229 158 D C -1.057 175.251 176.300 0.013 0.000 1.182 158 D CA 1.143 55.151 54.000 0.014 0.000 0.852 158 D CB -0.142 40.665 40.800 0.011 0.000 0.932 158 D HN -0.154 8.226 8.370 0.016 0.000 0.406 159 D N 0.471 120.880 120.400 0.015 0.000 2.017 159 D HA -0.061 4.587 4.640 0.013 0.000 0.336 159 D C -0.400 175.911 176.300 0.018 0.000 1.104 159 D CA 0.393 54.402 54.000 0.015 0.000 0.965 159 D CB 0.604 41.412 40.800 0.014 0.000 1.864 159 D HN 0.107 8.488 8.370 0.018 0.000 0.538 160 E N 0.000 120.213 120.200 0.022 0.000 2.725 160 E HA 0.000 4.366 4.350 0.026 0.000 0.291 160 E CA 0.000 56.416 56.400 0.026 0.000 0.976 160 E CB 0.000 29.720 29.700 0.034 0.000 0.812 160 E HN 0.000 8.374 8.360 0.023 0.000 0.440