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 2krg_1_A DATA FIRST_RESID 143 DATA SEQUENCE GIDPFTMLRP RLCTMKKGPS GYGFNLHSDK SKPGQFIRSV DPDSPAEASG DATA SEQUENCE LRAQDRIVEV NGVCMEGKQH GDVVSAIRAG GDETKLLVVD RETDEFFKKC DATA SEQUENCE RVIPSQEHLN GPLPVPFTNG EIQKENSREA LAEAALESPR PALVRSASSD DATA SEQUENCE TSEELNSQDS PPKQDSTAPS STSSSDPILD FNISLAMAKE RAHQKRSSKR DATA SEQUENCE APQMDWSKKN ELFSNL 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 143 G HA2 0.000 nan 3.960 nan 0.000 0.244 143 G HA3 0.000 3.971 3.960 0.019 0.000 0.244 143 G C 0.000 174.914 174.900 0.023 0.000 0.946 143 G CA 0.000 45.112 45.100 0.019 0.000 0.502 144 I N 1.013 121.597 120.570 0.022 0.000 2.378 144 I HA 0.191 4.378 4.170 0.028 0.000 0.291 144 I C -0.925 175.212 176.117 0.033 0.000 0.992 144 I CA -0.398 60.916 61.300 0.024 0.000 1.154 144 I CB 1.572 39.579 38.000 0.012 0.000 1.315 144 I HN -0.243 7.978 8.210 0.018 0.000 0.448 145 D N 8.465 128.899 120.400 0.056 0.000 2.264 145 D HA 0.258 4.955 4.640 0.095 0.000 0.249 145 D C -0.808 175.513 176.300 0.035 0.000 1.070 145 D CA -1.735 52.324 54.000 0.099 0.000 0.912 145 D CB 1.174 42.089 40.800 0.192 0.000 1.193 145 D HN 0.251 8.656 8.370 0.057 0.000 0.427 146 P HA 0.003 4.329 4.420 -0.156 0.000 0.233 146 P C -0.710 176.366 177.300 -0.375 0.000 1.167 146 P CA 1.165 64.118 63.100 -0.245 0.000 0.770 146 P CB 0.238 31.721 31.700 -0.361 0.000 0.837 147 F N -4.181 115.722 119.950 -0.078 0.000 2.270 147 F HA 0.035 4.413 4.527 -0.248 0.000 0.295 147 F C 2.116 177.798 175.800 -0.197 0.000 1.087 147 F CA 2.433 60.331 58.000 -0.170 0.000 1.365 147 F CB -0.139 38.798 39.000 -0.105 0.000 1.056 147 F HN -0.422 7.887 8.300 0.130 0.069 0.506 148 T N 1.318 115.914 114.554 0.070 0.000 2.951 148 T HA -0.258 4.108 4.350 0.026 0.000 0.268 148 T C 0.981 175.676 174.700 -0.007 0.000 1.073 148 T CA 3.025 65.142 62.100 0.028 0.000 1.134 148 T CB -0.150 68.745 68.868 0.045 0.000 0.884 148 T HN -0.551 7.759 8.240 0.117 0.000 0.479 149 M N -3.326 116.252 119.600 -0.037 0.000 2.619 149 M HA 0.032 4.502 4.480 -0.016 0.000 0.251 149 M C 0.106 176.377 176.300 -0.049 0.000 1.106 149 M CA 1.086 56.363 55.300 -0.039 0.000 1.086 149 M CB -0.131 32.439 32.600 -0.051 0.000 1.465 149 M HN -0.768 7.466 8.290 -0.048 0.027 0.506 150 L N 1.169 122.339 121.223 -0.088 0.000 2.404 150 L HA 0.046 4.355 4.340 -0.052 0.000 0.277 150 L C -0.650 176.248 176.870 0.046 0.000 1.184 150 L CA -0.207 54.585 54.840 -0.080 0.000 1.013 150 L CB -1.676 40.212 42.059 -0.285 0.000 1.318 150 L HN -0.840 7.131 8.230 -0.117 0.189 0.435 151 R N 2.548 123.072 120.500 0.041 0.000 2.643 151 R HA 0.357 4.767 4.340 0.116 0.000 0.269 151 R C -2.405 173.876 176.300 -0.033 0.000 1.037 151 R CA -3.364 52.768 56.100 0.053 0.000 0.894 151 R CB -0.429 29.916 30.300 0.075 0.000 1.238 151 R HN -0.452 7.822 8.270 0.006 0.000 0.459 152 P HA -0.056 4.444 4.420 -0.129 -0.157 0.271 152 P C -1.001 176.270 177.300 -0.049 0.000 1.233 152 P CA -0.365 62.668 63.100 -0.111 0.000 0.795 152 P CB 0.758 32.370 31.700 -0.147 0.000 0.936 153 R N -1.706 118.765 120.500 -0.049 0.000 2.522 153 R HA 0.222 4.548 4.340 -0.022 0.000 0.283 153 R C -2.112 174.166 176.300 -0.037 0.000 1.074 153 R CA -0.493 55.588 56.100 -0.032 0.000 0.925 153 R CB 3.785 34.070 30.300 -0.025 0.000 1.205 153 R HN 0.217 8.449 8.270 -0.064 0.000 0.436 154 L N 7.308 128.513 121.223 -0.031 0.000 2.268 154 L HA 0.257 4.699 4.340 -0.046 -0.129 0.289 154 L C -1.017 175.828 176.870 -0.041 0.000 1.064 154 L CA -0.464 54.354 54.840 -0.038 0.000 0.824 154 L CB 0.843 42.884 42.059 -0.030 0.000 1.202 154 L HN 0.478 8.694 8.230 -0.023 0.000 0.433 155 C N 9.697 128.965 119.300 -0.053 0.000 2.373 155 C HA 0.109 4.542 4.460 -0.045 0.000 0.354 155 C C -0.918 174.025 174.990 -0.079 0.000 1.249 155 C CA -0.847 58.135 59.018 -0.060 0.000 1.784 155 C CB -1.333 26.368 27.740 -0.065 0.000 2.408 155 C HN 1.154 9.257 8.230 -0.059 0.092 0.542 156 T N 9.060 123.578 114.554 -0.060 0.000 2.758 156 T HA 0.628 5.105 4.350 -0.080 -0.176 0.285 156 T C -1.236 173.436 174.700 -0.046 0.000 0.981 156 T CA -0.075 61.990 62.100 -0.058 0.000 0.965 156 T CB 0.908 69.756 68.868 -0.034 0.000 0.927 156 T HN 0.498 8.711 8.240 -0.044 0.000 0.448 157 M N 3.602 123.169 119.600 -0.055 0.000 2.326 157 M HA 0.554 5.044 4.480 0.016 0.000 0.292 157 M C -2.465 173.921 176.300 0.143 0.000 1.081 157 M CA -1.043 54.263 55.300 0.010 0.000 0.919 157 M CB 3.653 36.230 32.600 -0.038 0.000 1.634 157 M HN 0.174 8.406 8.290 -0.097 0.000 0.451 158 K N 3.821 124.295 120.400 0.123 0.000 2.156 158 K HA 0.127 4.553 4.320 0.178 0.000 0.271 158 K C -0.096 176.504 176.600 -0.001 0.000 0.995 158 K CA -0.833 55.517 56.287 0.105 0.000 0.890 158 K CB 1.522 34.038 32.500 0.026 0.000 1.073 158 K HN 0.398 8.690 8.250 0.069 0.000 0.454 159 K N 6.430 126.665 120.400 -0.276 0.000 2.218 159 K HA -0.077 3.939 4.320 -0.508 0.000 0.276 159 K C -1.235 175.204 176.600 -0.269 0.000 1.022 159 K CA 0.454 56.392 56.287 -0.582 0.000 0.946 159 K CB 0.282 32.051 32.500 -1.219 0.000 1.000 159 K HN -0.028 8.096 8.250 -0.209 0.000 0.468 160 G N 2.200 110.883 108.800 -0.195 0.000 3.791 160 G HA2 0.165 4.058 3.960 -0.112 0.000 0.176 160 G HA3 0.165 4.077 3.960 -0.080 0.000 0.176 160 G C -2.276 172.575 174.900 -0.083 0.000 1.298 160 G CA 0.961 45.994 45.100 -0.112 0.000 0.928 160 G HN 0.057 8.224 8.290 -0.205 0.000 0.546 161 P HA 0.128 4.530 4.420 -0.028 0.000 0.260 161 P C -0.965 176.319 177.300 -0.027 0.000 1.651 161 P CA -0.768 62.313 63.100 -0.031 0.000 1.139 161 P CB -1.731 29.962 31.700 -0.012 0.000 1.756 162 S N 3.635 119.314 115.700 -0.034 0.000 3.484 162 S HA -0.425 4.029 4.470 -0.027 0.000 0.384 162 S C -0.134 174.455 174.600 -0.019 0.000 0.932 162 S CA 0.472 58.659 58.200 -0.021 0.000 1.293 162 S CB -0.471 62.730 63.200 0.001 0.000 0.919 162 S HN -0.077 8.208 8.310 -0.040 0.000 0.540 163 G N 0.117 108.867 108.800 -0.083 0.000 2.760 163 G HA2 -0.342 3.465 3.960 -0.256 0.000 0.246 163 G HA3 -0.342 3.629 3.960 0.017 0.000 0.246 163 G C 0.123 174.932 174.900 -0.150 0.000 1.359 163 G CA -0.675 44.352 45.100 -0.121 0.000 0.861 163 G HN -0.433 7.788 8.290 -0.115 0.000 0.541 164 Y N 0.149 120.473 120.300 0.039 0.000 2.181 164 Y HA -0.338 4.180 4.550 -0.053 0.000 0.288 164 Y C 0.773 176.698 175.900 0.042 0.000 1.146 164 Y CA 2.333 60.415 58.100 -0.030 0.000 1.164 164 Y CB 0.305 38.629 38.460 -0.227 0.000 0.982 164 Y HN 0.249 8.553 8.280 0.039 0.000 0.515 165 G N -4.595 104.399 108.800 0.324 0.000 2.580 165 G HA2 -0.297 3.791 3.960 0.212 0.000 0.204 165 G HA3 -0.297 3.766 3.960 0.171 0.000 0.204 165 G C -1.622 173.493 174.900 0.359 0.000 1.107 165 G CA -0.329 44.924 45.100 0.256 0.000 0.881 165 G HN -0.117 8.432 8.290 0.432 0.000 0.497 166 F N -2.826 117.183 119.950 0.098 0.000 2.645 166 F HA 0.529 5.091 4.527 0.057 0.000 0.310 166 F C -2.891 172.949 175.800 0.066 0.000 1.102 166 F CA -3.552 54.489 58.000 0.069 0.000 0.952 166 F CB 2.367 41.398 39.000 0.053 0.000 1.326 166 F HN -0.781 7.993 8.300 0.790 0.000 0.456 167 N N 1.737 120.263 118.700 -0.290 0.000 2.417 167 N HA 0.376 4.871 4.740 -0.407 0.000 0.274 167 N C -2.268 172.974 175.510 -0.446 0.000 0.987 167 N CA -0.446 52.385 53.050 -0.365 0.000 0.912 167 N CB 2.059 40.472 38.487 -0.123 0.000 1.177 167 N HN 0.461 8.802 8.380 -0.064 0.000 0.490 168 L N 4.627 125.542 121.223 -0.512 0.000 2.381 168 L HA 0.379 4.620 4.340 -0.165 0.000 0.274 168 L C -1.369 175.489 176.870 -0.019 0.000 0.988 168 L CA -0.593 54.079 54.840 -0.280 0.000 0.824 168 L CB 2.620 44.453 42.059 -0.377 0.000 1.263 168 L HN 0.465 8.378 8.230 -0.528 0.000 0.410 169 H N 5.360 124.394 119.070 -0.061 0.000 3.156 169 H HA 0.245 4.798 4.556 -0.006 0.000 0.319 169 H C -2.011 173.334 175.328 0.029 0.000 1.067 169 H CA 0.266 56.303 56.048 -0.018 0.000 1.417 169 H CB 2.676 32.418 29.762 -0.034 0.000 2.050 169 H HN -0.013 8.303 8.280 0.060 0.000 0.473 170 S N 5.329 120.700 115.700 -0.548 0.000 2.585 170 S HA 0.100 4.554 4.470 -0.028 0.000 0.273 170 S C 0.098 174.458 174.600 -0.400 0.000 1.339 170 S CA 0.094 58.108 58.200 -0.310 0.000 1.028 170 S CB 1.191 64.252 63.200 -0.231 0.000 0.906 170 S HN 0.062 8.006 8.310 -0.611 0.000 0.528 171 D N 2.444 122.774 120.400 -0.116 0.000 2.251 171 D HA -0.323 4.314 4.640 -0.005 0.000 0.215 171 D C 0.002 176.254 176.300 -0.080 0.000 1.047 171 D CA 3.249 57.213 54.000 -0.060 0.000 0.920 171 D CB 0.831 41.610 40.800 -0.035 0.000 1.186 171 D HN 0.410 8.771 8.370 -0.014 0.000 0.482 172 K N -5.560 114.795 120.400 -0.075 0.000 3.037 172 K HA 0.068 4.328 4.320 -0.101 0.000 0.267 172 K C 0.111 176.672 176.600 -0.065 0.000 2.485 172 K CA 0.790 57.036 56.287 -0.068 0.000 1.453 172 K CB 0.916 33.404 32.500 -0.020 0.000 2.739 172 K HN 0.002 8.216 8.250 -0.060 0.000 0.418 173 S N -0.500 115.179 115.700 -0.035 0.000 2.524 173 S HA 0.004 4.459 4.470 -0.025 0.000 0.216 173 S C 0.668 175.260 174.600 -0.012 0.000 0.987 173 S CA 1.108 59.295 58.200 -0.022 0.000 0.909 173 S CB 0.879 64.072 63.200 -0.013 0.000 0.781 173 S HN 0.015 8.309 8.310 -0.027 0.000 0.521 174 K N 3.652 124.046 120.400 -0.011 0.000 2.276 174 K HA 0.287 4.616 4.320 0.015 0.000 0.285 174 K C -1.689 174.935 176.600 0.041 0.000 1.062 174 K CA -2.183 54.112 56.287 0.013 0.000 0.918 174 K CB 0.589 33.092 32.500 0.005 0.000 1.055 174 K HN -0.290 7.902 8.250 -0.022 0.045 0.477 175 P HA 0.110 4.554 4.420 0.041 0.000 0.274 175 P C -0.618 176.759 177.300 0.128 0.000 1.237 175 P CA 0.011 63.151 63.100 0.066 0.000 0.793 175 P CB 0.557 32.288 31.700 0.052 0.000 0.977 176 G N 0.155 108.989 108.800 0.057 0.000 2.570 176 G HA2 -0.235 3.641 3.960 -0.140 0.000 0.686 176 G HA3 -0.235 3.728 3.960 0.005 0.000 0.686 176 G C -2.474 172.311 174.900 -0.191 0.000 1.257 176 G CA -0.369 44.690 45.100 -0.068 0.000 0.846 176 G HN -0.018 8.289 8.290 0.029 0.000 0.627 177 Q N -0.693 118.753 119.800 -0.591 0.000 2.340 177 Q HA 0.450 4.690 4.340 -0.167 0.000 0.268 177 Q C -1.798 173.681 176.000 -0.867 0.000 1.031 177 Q CA -1.593 53.941 55.803 -0.448 0.000 0.804 177 Q CB 2.489 31.095 28.738 -0.220 0.000 1.286 177 Q HN 0.187 8.027 8.270 -0.716 0.000 0.448 178 F N -0.434 119.507 119.950 -0.015 0.000 2.603 178 F HA 0.467 5.121 4.527 0.007 -0.123 0.317 178 F C -0.706 175.095 175.800 0.000 0.000 1.066 178 F CA -1.737 56.261 58.000 -0.003 0.000 0.941 178 F CB 3.866 42.862 39.000 -0.008 0.000 1.291 178 F HN 0.243 8.629 8.300 0.144 0.000 0.472 179 I N 0.520 121.208 120.570 0.198 0.000 2.379 179 I HA 0.098 4.310 4.170 0.070 0.000 0.290 179 I C 0.393 176.570 176.117 0.101 0.000 1.063 179 I CA -1.286 60.086 61.300 0.121 0.000 1.351 179 I CB -1.689 36.391 38.000 0.134 0.000 1.410 179 I HN -0.103 8.244 8.210 0.227 0.000 0.505 180 R N 9.839 130.373 120.500 0.057 0.000 2.062 180 R HA -0.190 4.184 4.340 0.056 0.000 0.229 180 R C -0.194 176.127 176.300 0.035 0.000 1.128 180 R CA 1.898 58.025 56.100 0.045 0.000 0.960 180 R CB 1.110 31.428 30.300 0.030 0.000 0.855 180 R HN 0.253 8.534 8.270 0.019 0.000 0.432 181 S N -7.576 108.142 115.700 0.030 0.000 2.611 181 S HA 0.096 4.597 4.470 0.051 0.000 0.270 181 S C -3.018 171.621 174.600 0.066 0.000 1.131 181 S CA -0.465 57.760 58.200 0.043 0.000 0.826 181 S CB 1.910 65.127 63.200 0.028 0.000 1.095 181 S HN -0.614 7.702 8.310 0.011 0.000 0.461 182 V N 0.560 120.523 119.914 0.082 0.000 2.808 182 V HA 0.240 4.448 4.120 0.147 0.000 0.308 182 V C -1.838 174.308 176.094 0.086 0.000 1.099 182 V CA -1.685 60.686 62.300 0.118 0.000 0.920 182 V CB 2.705 34.615 31.823 0.145 0.000 1.014 182 V HN 0.224 8.454 8.190 0.067 0.000 0.425 183 D N 9.364 129.818 120.400 0.090 0.000 2.423 183 D HA 0.241 4.912 4.640 0.052 0.000 0.238 183 D C -1.542 174.792 176.300 0.057 0.000 1.142 183 D CA -0.148 53.891 54.000 0.065 0.000 0.884 183 D CB -0.101 40.739 40.800 0.065 0.000 1.199 183 D HN -0.223 8.216 8.370 0.116 0.000 0.438 184 P HA -0.049 4.392 4.420 0.036 0.000 0.274 184 P C -0.770 176.549 177.300 0.031 0.000 1.237 184 P CA 0.110 63.231 63.100 0.034 0.000 0.793 184 P CB 0.572 32.288 31.700 0.026 0.000 0.977 185 D N -2.027 118.389 120.400 0.027 0.000 2.837 185 D HA -0.238 4.413 4.640 0.019 0.000 0.230 185 D C -1.429 174.887 176.300 0.026 0.000 1.152 185 D CA 0.838 54.852 54.000 0.022 0.000 0.736 185 D CB -0.585 40.225 40.800 0.018 0.000 1.084 185 D HN 0.457 8.842 8.370 0.025 0.000 0.429 186 S N -2.733 112.988 115.700 0.035 0.000 2.578 186 S HA 0.516 5.008 4.470 0.037 0.000 0.301 186 S C -0.556 174.066 174.600 0.037 0.000 1.091 186 S CA -1.717 56.508 58.200 0.042 0.000 1.032 186 S CB 2.563 65.802 63.200 0.065 0.000 1.064 186 S HN -0.470 7.841 8.310 0.037 0.022 0.508 187 P HA -0.088 4.343 4.420 0.019 0.000 0.218 187 P C 0.312 177.623 177.300 0.018 0.000 1.148 187 P CA 2.165 65.281 63.100 0.027 0.000 0.822 187 P CB -0.051 31.671 31.700 0.036 0.000 0.784 188 A N -1.723 121.111 122.820 0.024 0.000 1.933 188 A HA -0.256 4.028 4.320 -0.059 0.000 0.218 188 A C 1.796 179.390 177.584 0.016 0.000 1.175 188 A CA 2.903 54.936 52.037 -0.007 0.000 0.628 188 A CB -0.838 18.174 19.000 0.019 0.000 0.814 188 A HN -0.437 7.718 8.150 0.049 0.025 0.444 189 E N -0.305 119.917 120.200 0.036 0.000 2.072 189 E HA -0.247 4.281 4.350 0.039 -0.154 0.191 189 E C 1.716 178.327 176.600 0.019 0.000 0.985 189 E CA 2.197 58.617 56.400 0.034 0.000 0.801 189 E CB -0.217 29.506 29.700 0.038 0.000 0.750 189 E HN -0.643 7.652 8.360 0.045 0.092 0.452 190 A N -2.380 120.449 122.820 0.015 0.000 1.969 190 A HA -0.143 4.182 4.320 0.009 0.000 0.218 190 A C 1.757 179.342 177.584 0.001 0.000 1.169 190 A CA 2.388 54.430 52.037 0.008 0.000 0.635 190 A CB -0.610 18.394 19.000 0.008 0.000 0.810 190 A HN -0.382 7.779 8.150 0.019 0.000 0.445 191 S N -3.525 112.172 115.700 -0.005 0.000 2.400 191 S HA -0.271 4.190 4.470 -0.015 0.000 0.232 191 S C 0.905 175.496 174.600 -0.015 0.000 1.025 191 S CA 2.021 60.211 58.200 -0.017 0.000 0.993 191 S CB 0.896 64.073 63.200 -0.037 0.000 0.808 191 S HN -0.133 8.058 8.310 -0.003 0.117 0.478 192 G N 0.028 108.824 108.800 -0.007 0.000 2.198 192 G HA2 -0.240 3.722 3.960 0.002 0.000 0.156 192 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.156 192 G C -1.749 173.153 174.900 0.003 0.000 1.012 192 G CA -0.452 44.647 45.100 -0.002 0.000 0.692 192 G HN -0.654 7.511 8.290 -0.002 0.124 0.492 193 L N 1.081 122.309 121.223 0.007 0.000 2.380 193 L HA 0.141 4.620 4.340 0.022 -0.126 0.273 193 L C -1.634 175.263 176.870 0.046 0.000 1.138 193 L CA 0.756 55.612 54.840 0.027 0.000 0.832 193 L CB 1.143 43.222 42.059 0.032 0.000 1.124 193 L HN -0.583 7.647 8.230 0.001 0.000 0.454 194 R N 4.935 125.468 120.500 0.054 0.000 2.854 194 R HA 0.334 4.706 4.340 0.053 0.000 0.271 194 R C -0.007 176.336 176.300 0.071 0.000 0.994 194 R CA -1.656 54.477 56.100 0.055 0.000 0.945 194 R CB 3.397 33.721 30.300 0.040 0.000 1.194 194 R HN 0.661 9.308 8.270 0.054 -0.345 0.476 195 A N 0.738 123.596 122.820 0.063 0.000 2.263 195 A HA -0.083 4.374 4.320 0.079 -0.090 0.205 195 A C -0.532 177.093 177.584 0.068 0.000 1.226 195 A CA 1.826 53.902 52.037 0.066 0.000 0.810 195 A CB -0.632 18.396 19.000 0.047 0.000 0.784 195 A HN 0.542 8.724 8.150 0.053 0.000 0.486 196 Q N -3.425 116.418 119.800 0.071 0.000 2.088 196 Q HA 0.034 4.422 4.340 0.081 0.000 0.270 196 Q C -1.616 174.445 176.000 0.101 0.000 0.854 196 Q CA -0.874 54.974 55.803 0.075 0.000 1.104 196 Q CB 0.975 29.739 28.738 0.044 0.000 1.251 196 Q HN -0.332 7.840 8.270 0.067 0.138 0.436 197 D N 0.414 120.883 120.400 0.115 0.000 2.228 197 D HA 0.292 4.982 4.640 0.083 0.000 0.247 197 D C -1.714 174.660 176.300 0.124 0.000 0.995 197 D CA -0.693 53.365 54.000 0.097 0.000 0.903 197 D CB 2.643 43.479 40.800 0.060 0.000 1.205 197 D HN -0.665 7.775 8.370 0.116 0.000 0.459 198 R N 0.974 121.511 120.500 0.062 0.000 2.562 198 R HA 0.419 4.673 4.340 -0.142 0.000 0.298 198 R C -1.616 174.615 176.300 -0.114 0.000 0.961 198 R CA -1.263 54.802 56.100 -0.059 0.000 0.881 198 R CB 2.572 32.858 30.300 -0.022 0.000 1.159 198 R HN 0.416 8.712 8.270 0.044 0.000 0.450 199 I N 5.558 126.021 120.570 -0.179 0.000 2.396 199 I HA 0.023 4.292 4.170 -0.090 -0.152 0.289 199 I C -0.423 175.611 176.117 -0.138 0.000 1.056 199 I CA -1.056 60.167 61.300 -0.128 0.000 1.365 199 I CB -1.715 36.220 38.000 -0.108 0.000 1.407 199 I HN -0.286 7.759 8.210 -0.276 0.000 0.509 200 V N 4.664 124.513 119.914 -0.108 0.000 3.048 200 V HA 0.059 4.116 4.120 -0.105 0.000 0.241 200 V C -0.539 175.510 176.094 -0.076 0.000 1.129 200 V CA 0.825 63.064 62.300 -0.101 0.000 1.128 200 V CB 1.468 33.221 31.823 -0.117 0.000 0.849 200 V HN 0.452 8.584 8.190 -0.097 0.000 0.475 201 E N -3.981 116.178 120.200 -0.069 0.000 2.392 201 E HA 0.504 4.925 4.350 -0.046 -0.098 0.279 201 E C -2.245 174.323 176.600 -0.054 0.000 0.964 201 E CA -1.228 55.142 56.400 -0.052 0.000 0.777 201 E CB 4.846 34.522 29.700 -0.039 0.000 1.249 201 E HN -0.855 7.459 8.360 -0.075 0.000 0.449 202 V N 1.037 120.922 119.914 -0.047 0.000 2.540 202 V HA 0.644 4.912 4.120 -0.068 -0.188 0.302 202 V C 0.453 176.519 176.094 -0.046 0.000 1.035 202 V CA -2.184 60.084 62.300 -0.055 0.000 0.873 202 V CB 2.354 34.145 31.823 -0.054 0.000 0.992 202 V HN -0.252 7.914 8.190 -0.039 0.000 0.428 203 N N 8.551 127.221 118.700 -0.051 0.000 2.690 203 N HA -0.387 4.329 4.740 -0.039 0.000 0.249 203 N C -0.226 175.268 175.510 -0.027 0.000 1.125 203 N CA 1.652 54.679 53.050 -0.038 0.000 0.794 203 N CB -1.202 37.266 38.487 -0.033 0.000 1.152 203 N HN 1.296 9.528 8.380 -0.065 0.109 0.571 204 G N -5.339 103.445 108.800 -0.026 0.000 2.130 204 G HA2 -0.439 3.512 3.960 -0.015 0.000 0.216 204 G HA3 -0.439 3.514 3.960 -0.013 0.000 0.216 204 G C -1.212 173.680 174.900 -0.013 0.000 0.999 204 G CA -0.062 45.028 45.100 -0.016 0.000 0.686 204 G HN 0.168 8.350 8.290 -0.033 0.088 0.515 205 V N -0.504 119.400 119.914 -0.018 0.000 2.713 205 V HA 0.267 4.382 4.120 -0.008 0.000 0.307 205 V C -0.781 175.305 176.094 -0.014 0.000 1.052 205 V CA -2.659 59.633 62.300 -0.013 0.000 0.967 205 V CB 2.647 34.461 31.823 -0.015 0.000 1.019 205 V HN 0.079 8.117 8.190 -0.024 0.137 0.459 206 C N 6.522 125.818 119.300 -0.008 0.000 2.482 206 C HA 0.008 4.462 4.460 -0.010 0.000 0.378 206 C C 0.053 175.035 174.990 -0.013 0.000 1.284 206 C CA 0.858 59.871 59.018 -0.008 0.000 1.826 206 C CB -0.437 27.305 27.740 0.002 0.000 2.473 206 C HN 0.528 8.756 8.230 -0.004 0.000 0.562 207 M N 1.922 121.508 119.600 -0.024 0.000 2.441 207 M HA 0.178 4.643 4.480 -0.025 0.000 0.244 207 M C 0.247 176.532 176.300 -0.025 0.000 1.122 207 M CA -0.263 55.019 55.300 -0.030 0.000 1.041 207 M CB 0.947 33.518 32.600 -0.049 0.000 1.438 207 M HN -0.263 8.011 8.290 -0.028 0.000 0.484 208 E N 0.709 120.898 120.200 -0.017 0.000 2.299 208 E HA -0.235 4.106 4.350 -0.014 0.000 0.272 208 E C 0.720 177.321 176.600 0.001 0.000 1.043 208 E CA 1.400 57.795 56.400 -0.009 0.000 0.895 208 E CB -0.174 29.526 29.700 -0.001 0.000 1.011 208 E HN -0.107 8.192 8.360 -0.016 0.050 0.432 209 G N 4.616 113.419 108.800 0.005 0.000 2.159 209 G HA2 -0.300 3.669 3.960 0.016 0.000 0.256 209 G HA3 -0.300 3.668 3.960 0.014 0.000 0.256 209 G C -0.298 174.609 174.900 0.012 0.000 0.977 209 G CA 0.177 45.285 45.100 0.013 0.000 0.652 209 G HN 0.293 8.585 8.290 0.003 0.000 0.531 210 K N 0.669 121.072 120.400 0.005 0.000 2.118 210 K HA 0.282 4.606 4.320 0.006 0.000 0.254 210 K C 0.032 176.634 176.600 0.004 0.000 0.961 210 K CA -1.211 55.077 56.287 0.002 0.000 0.876 210 K CB 0.885 33.380 32.500 -0.009 0.000 1.077 210 K HN -0.439 7.748 8.250 -0.001 0.062 0.440 211 Q N 0.064 119.859 119.800 -0.008 0.000 2.500 211 Q HA -0.010 4.360 4.340 0.049 0.000 0.215 211 Q C 1.965 177.942 176.000 -0.038 0.000 1.062 211 Q CA 0.122 55.917 55.803 -0.014 0.000 0.996 211 Q CB 0.686 29.375 28.738 -0.081 0.000 1.239 211 Q HN 0.266 8.527 8.270 -0.014 0.000 0.578 212 H N -2.026 117.038 119.070 -0.010 0.000 2.495 212 H HA -0.063 4.471 4.556 -0.038 0.000 0.287 212 H C 1.212 176.541 175.328 0.001 0.000 1.033 212 H CA 2.119 58.154 56.048 -0.022 0.000 1.307 212 H CB -0.010 29.728 29.762 -0.040 0.000 1.401 212 H HN 0.538 8.915 8.280 0.161 0.000 0.555 213 G N -1.314 107.093 108.800 -0.655 0.000 2.572 213 G HA2 -0.200 3.639 3.960 -0.203 0.000 0.216 213 G HA3 -0.200 3.528 3.960 -0.388 0.000 0.216 213 G C 0.461 175.289 174.900 -0.120 0.000 1.133 213 G CA 0.549 45.443 45.100 -0.344 0.000 0.791 213 G HN 0.179 7.886 8.290 -0.913 0.035 0.538 214 D N 1.322 121.660 120.400 -0.104 0.000 2.178 214 D HA -0.134 4.487 4.640 -0.031 0.000 0.202 214 D C 1.690 177.976 176.300 -0.023 0.000 0.974 214 D CA 2.844 56.818 54.000 -0.044 0.000 0.841 214 D CB 0.056 40.835 40.800 -0.035 0.000 0.953 214 D HN -0.515 7.598 8.370 -0.144 0.170 0.478 215 V N -2.747 117.157 119.914 -0.017 0.000 2.295 215 V HA -0.252 3.862 4.120 -0.010 0.000 0.246 215 V C 1.340 177.450 176.094 0.026 0.000 1.049 215 V CA 3.070 65.371 62.300 0.002 0.000 1.024 215 V CB -0.415 31.414 31.823 0.011 0.000 0.648 215 V HN -0.952 7.207 8.190 -0.026 0.016 0.447 216 V N -0.691 119.249 119.914 0.042 0.000 2.453 216 V HA -0.417 3.763 4.120 0.101 0.000 0.247 216 V C 1.271 177.390 176.094 0.041 0.000 1.048 216 V CA 3.359 65.701 62.300 0.070 0.000 1.049 216 V CB -0.436 31.439 31.823 0.087 0.000 0.672 216 V HN -0.420 7.789 8.190 0.031 0.000 0.457 217 S N 0.698 116.406 115.700 0.015 0.000 2.368 217 S HA -0.381 4.072 4.470 -0.029 0.000 0.225 217 S C 2.141 176.730 174.600 -0.019 0.000 1.030 217 S CA 4.100 62.292 58.200 -0.013 0.000 0.999 217 S CB -0.507 62.684 63.200 -0.015 0.000 0.844 217 S HN -0.460 7.770 8.310 0.011 0.087 0.459 218 A N 1.657 124.469 122.820 -0.013 0.000 1.933 218 A HA -0.295 4.011 4.320 -0.022 0.000 0.218 218 A C 1.954 179.527 177.584 -0.018 0.000 1.175 218 A CA 3.058 55.084 52.037 -0.019 0.000 0.628 218 A CB -0.746 18.240 19.000 -0.023 0.000 0.814 218 A HN 0.034 8.179 8.150 -0.008 0.000 0.444 219 I N -1.490 119.075 120.570 -0.008 0.000 2.226 219 I HA -0.515 3.627 4.170 -0.046 0.000 0.245 219 I C 2.058 178.201 176.117 0.043 0.000 1.100 219 I CA 3.935 65.232 61.300 -0.005 0.000 1.374 219 I CB -0.204 37.797 38.000 0.001 0.000 1.057 219 I HN -0.721 7.408 8.210 0.002 0.083 0.413 220 R N -1.219 119.303 120.500 0.037 0.000 2.081 220 R HA -0.377 3.996 4.340 0.055 0.000 0.235 220 R C 2.423 178.719 176.300 -0.005 0.000 1.131 220 R CA 3.220 59.333 56.100 0.022 0.000 0.960 220 R CB -0.180 30.109 30.300 -0.019 0.000 0.856 220 R HN -0.314 7.973 8.270 0.028 0.000 0.436 221 A N -3.113 119.695 122.820 -0.021 0.000 1.933 221 A HA -0.118 4.179 4.320 -0.038 0.000 0.218 221 A C 1.521 179.098 177.584 -0.012 0.000 1.175 221 A CA 1.969 53.989 52.037 -0.027 0.000 0.628 221 A CB -0.717 18.265 19.000 -0.031 0.000 0.814 221 A HN -0.233 7.904 8.150 -0.022 0.000 0.444 222 G N -2.066 106.733 108.800 -0.002 0.000 2.418 222 G HA2 -0.142 3.816 3.960 -0.004 0.000 0.217 222 G HA3 -0.142 3.821 3.960 0.005 0.000 0.217 222 G C -0.156 174.755 174.900 0.018 0.000 1.158 222 G CA 0.538 45.641 45.100 0.005 0.000 0.771 222 G HN -0.343 7.835 8.290 -0.002 0.111 0.545 223 G N 0.577 109.398 108.800 0.035 0.000 2.301 223 G HA2 -0.230 3.739 3.960 0.015 0.000 0.194 223 G HA3 -0.230 3.741 3.960 0.019 0.000 0.194 223 G C -1.203 173.732 174.900 0.057 0.000 1.266 223 G CA -0.279 44.839 45.100 0.030 0.000 1.210 223 G HN -0.576 7.741 8.290 0.045 0.000 0.524 224 D N 3.438 123.853 120.400 0.025 0.000 2.371 224 D HA -0.074 4.536 4.640 -0.050 0.000 0.221 224 D C -0.608 175.717 176.300 0.040 0.000 0.986 224 D CA 1.512 55.506 54.000 -0.011 0.000 0.899 224 D CB 0.250 41.027 40.800 -0.038 0.000 0.902 224 D HN 0.219 8.596 8.370 0.012 0.000 0.530 225 E N -4.254 116.019 120.200 0.123 0.000 2.320 225 E HA 0.369 4.903 4.350 0.307 0.000 0.264 225 E C -1.566 175.135 176.600 0.168 0.000 0.923 225 E CA -1.098 55.415 56.400 0.189 0.000 0.796 225 E CB 4.265 34.012 29.700 0.078 0.000 1.262 225 E HN -0.704 7.640 8.360 0.086 0.068 0.428 226 T N -0.567 114.019 114.554 0.054 0.000 2.853 226 T HA 0.342 4.762 4.350 -0.082 -0.119 0.311 226 T C -1.910 172.695 174.700 -0.158 0.000 1.307 226 T CA -1.473 60.541 62.100 -0.143 0.000 1.019 226 T CB 2.190 70.773 68.868 -0.474 0.000 1.264 226 T HN -0.075 8.221 8.240 0.092 0.000 0.497 227 K N 5.492 125.808 120.400 -0.141 0.000 2.613 227 K HA 0.629 5.080 4.320 -0.121 -0.203 0.248 227 K C -1.348 175.181 176.600 -0.118 0.000 0.959 227 K CA -0.888 55.331 56.287 -0.114 0.000 0.855 227 K CB 2.335 34.794 32.500 -0.068 0.000 1.143 227 K HN -0.107 8.231 8.250 -0.131 -0.167 0.437 228 L N 3.732 124.875 121.223 -0.133 0.000 2.309 228 L HA 0.574 4.978 4.340 -0.099 -0.122 0.282 228 L C -1.795 175.028 176.870 -0.080 0.000 1.036 228 L CA -1.273 53.502 54.840 -0.109 0.000 0.806 228 L CB 2.069 44.053 42.059 -0.124 0.000 1.220 228 L HN 0.932 9.073 8.230 -0.148 0.000 0.429 229 L N 4.818 125.998 121.223 -0.071 0.000 2.272 229 L HA 0.540 4.999 4.340 -0.062 -0.157 0.289 229 L C -1.879 174.946 176.870 -0.074 0.000 1.032 229 L CA -1.054 53.745 54.840 -0.068 0.000 0.810 229 L CB 2.080 44.099 42.059 -0.067 0.000 1.205 229 L HN 0.449 8.636 8.230 -0.072 0.000 0.422 230 V N 1.741 121.614 119.914 -0.068 0.000 3.102 230 V HA 1.092 5.378 4.120 -0.071 -0.209 0.312 230 V C -1.829 174.220 176.094 -0.074 0.000 1.135 230 V CA -3.775 58.488 62.300 -0.062 0.000 1.022 230 V CB 3.767 35.571 31.823 -0.031 0.000 1.056 230 V HN 0.502 8.655 8.190 -0.062 0.000 0.436 231 V N -6.357 113.517 119.914 -0.066 0.000 3.074 231 V HA 0.398 4.468 4.120 -0.085 0.000 0.314 231 V C -1.591 174.492 176.094 -0.019 0.000 1.117 231 V CA -3.045 59.211 62.300 -0.073 0.000 1.014 231 V CB 2.891 34.637 31.823 -0.128 0.000 1.057 231 V HN -0.229 7.933 8.190 -0.046 0.000 0.438 232 D N -0.147 120.248 120.400 -0.008 0.000 2.360 232 D HA 0.020 4.667 4.640 0.012 0.000 0.242 232 D C 1.307 177.630 176.300 0.038 0.000 1.184 232 D CA -0.197 53.811 54.000 0.013 0.000 0.930 232 D CB 2.316 43.119 40.800 0.005 0.000 1.161 232 D HN 0.196 8.554 8.370 -0.020 0.000 0.447 233 R N 2.501 123.024 120.500 0.039 0.000 2.083 233 R HA -0.373 4.005 4.340 0.063 0.000 0.237 233 R C 2.041 178.386 176.300 0.074 0.000 1.137 233 R CA 3.202 59.334 56.100 0.053 0.000 0.951 233 R CB -0.218 30.105 30.300 0.038 0.000 0.851 233 R HN 0.389 8.676 8.270 0.028 0.000 0.434 234 E N -1.619 118.621 120.200 0.065 0.000 2.107 234 E HA -0.063 4.593 4.350 0.110 -0.240 0.191 234 E C 2.210 178.921 176.600 0.185 0.000 0.982 234 E CA 2.435 58.895 56.400 0.099 0.000 0.809 234 E CB -0.382 29.342 29.700 0.039 0.000 0.756 234 E HN -0.434 8.203 8.360 0.039 -0.253 0.459 235 T N 2.512 117.154 114.554 0.146 0.000 2.746 235 T HA -0.364 4.178 4.350 0.321 0.000 0.267 235 T C 1.400 176.286 174.700 0.311 0.000 1.039 235 T CA 5.196 67.438 62.100 0.236 0.000 1.142 235 T CB -0.306 68.621 68.868 0.097 0.000 0.866 235 T HN -0.527 7.694 8.240 0.081 0.067 0.444 236 D N 0.812 121.310 120.400 0.163 0.000 2.092 236 D HA -0.299 4.386 4.640 0.075 0.000 0.193 236 D C 1.914 178.335 176.300 0.201 0.000 0.994 236 D CA 3.438 57.518 54.000 0.135 0.000 0.828 236 D CB 0.051 40.910 40.800 0.097 0.000 0.963 236 D HN 0.272 8.598 8.370 0.115 0.114 0.450 237 E N -1.436 118.881 120.200 0.195 0.000 2.208 237 E HA -0.285 4.144 4.350 0.132 0.000 0.193 237 E C 2.164 178.885 176.600 0.202 0.000 0.988 237 E CA 1.938 58.438 56.400 0.166 0.000 0.828 237 E CB -0.535 29.239 29.700 0.124 0.000 0.763 237 E HN -0.754 7.712 8.360 0.177 0.000 0.478 238 F N 2.547 122.598 119.950 0.167 0.000 2.102 238 F HA -0.405 4.183 4.527 0.102 0.000 0.298 238 F C 1.178 177.045 175.800 0.113 0.000 1.105 238 F CA 4.031 62.120 58.000 0.150 0.000 1.239 238 F CB 0.339 39.454 39.000 0.192 0.000 0.991 238 F HN -0.148 8.292 8.300 0.445 0.127 0.474 239 F N -2.468 117.602 119.950 0.200 0.000 2.206 239 F HA -0.405 4.176 4.527 0.090 0.000 0.298 239 F C 1.995 177.788 175.800 -0.013 0.000 1.090 239 F CA 4.183 62.234 58.000 0.085 0.000 1.323 239 F CB -0.377 38.667 39.000 0.074 0.000 1.028 239 F HN -0.166 8.636 8.300 0.837 0.000 0.492 240 K N -0.937 119.568 120.400 0.175 0.000 2.057 240 K HA -0.426 3.949 4.320 0.092 0.000 0.207 240 K C 1.628 178.230 176.600 0.003 0.000 1.049 240 K CA 3.411 59.747 56.287 0.083 0.000 0.931 240 K CB -0.088 32.461 32.500 0.081 0.000 0.714 240 K HN -0.683 7.705 8.250 0.230 0.000 0.440 241 K N -3.818 116.548 120.400 -0.057 0.000 2.296 241 K HA -0.164 4.118 4.320 -0.064 0.000 0.200 241 K C 1.628 178.126 176.600 -0.171 0.000 1.048 241 K CA 2.146 58.367 56.287 -0.109 0.000 0.966 241 K CB -0.303 32.117 32.500 -0.133 0.000 0.754 241 K HN -0.442 7.778 8.250 -0.050 0.000 0.466 242 C N -2.135 117.019 119.300 -0.242 0.000 2.618 242 C HA 0.002 4.312 4.460 -0.250 0.000 0.264 242 C C -0.476 174.446 174.990 -0.113 0.000 1.334 242 C CA 0.627 59.490 59.018 -0.258 0.000 1.731 242 C CB 0.933 28.413 27.740 -0.435 0.000 1.852 242 C HN -0.511 7.428 8.230 -0.236 0.149 0.566 243 R N -4.065 116.405 120.500 -0.051 0.000 3.267 243 R HA -0.358 3.995 4.340 0.022 0.000 0.254 243 R C -1.856 174.468 176.300 0.040 0.000 0.993 243 R CA 1.114 57.217 56.100 0.004 0.000 0.670 243 R CB -3.705 26.593 30.300 -0.005 0.000 1.125 243 R HN -0.234 7.815 8.270 -0.053 0.190 0.434 244 V N -1.672 118.296 119.914 0.090 0.000 3.074 244 V HA 0.321 4.526 4.120 0.141 0.000 0.314 244 V C -1.033 175.208 176.094 0.245 0.000 1.117 244 V CA -1.636 60.768 62.300 0.173 0.000 1.014 244 V CB 3.398 35.319 31.823 0.163 0.000 1.057 244 V HN -0.246 8.004 8.190 0.101 0.000 0.438 245 I N 3.080 123.789 120.570 0.231 0.000 2.388 245 I HA 0.298 4.525 4.170 0.095 0.000 0.281 245 I C -2.067 174.070 176.117 0.033 0.000 1.046 245 I CA -4.423 56.957 61.300 0.133 0.000 1.187 245 I CB -1.168 36.900 38.000 0.113 0.000 1.351 245 I HN 0.070 8.434 8.210 0.257 0.000 0.472 246 P HA -0.024 3.727 4.420 -1.116 0.000 0.267 246 P C -1.130 176.056 177.300 -0.191 0.000 1.200 246 P CA -0.101 62.651 63.100 -0.580 0.000 0.772 246 P CB 0.715 31.960 31.700 -0.759 0.000 0.855 247 S N -1.460 114.211 115.700 -0.049 0.000 2.671 247 S HA 0.079 4.537 4.470 -0.020 0.000 0.270 247 S C 0.620 175.278 174.600 0.096 0.000 1.166 247 S CA -0.397 57.836 58.200 0.055 0.000 0.868 247 S CB 1.555 64.819 63.200 0.107 0.000 1.190 247 S HN -0.620 7.636 8.310 -0.090 0.000 0.494 248 Q N 0.552 120.387 119.800 0.058 0.000 2.291 248 Q HA -0.263 4.095 4.340 0.030 0.000 0.205 248 Q C 1.920 177.955 176.000 0.058 0.000 0.970 248 Q CA 2.970 58.798 55.803 0.042 0.000 0.876 248 Q CB 0.001 28.748 28.738 0.015 0.000 0.935 248 Q HN 0.446 8.906 8.270 0.041 -0.165 0.455 249 E N -0.266 119.978 120.200 0.073 0.000 2.150 249 E HA -0.281 4.066 4.350 -0.006 0.000 0.193 249 E C 2.183 178.764 176.600 -0.031 0.000 0.985 249 E CA 2.335 58.737 56.400 0.004 0.000 0.814 249 E CB -0.643 29.033 29.700 -0.039 0.000 0.752 249 E HN -0.351 8.032 8.360 0.101 0.038 0.466 250 H N -0.908 118.185 119.070 0.037 0.000 2.524 250 H HA -0.133 4.478 4.556 0.091 0.000 0.282 250 H C 1.033 176.386 175.328 0.043 0.000 1.016 250 H CA 2.284 58.372 56.048 0.067 0.000 1.270 250 H CB -0.078 29.737 29.762 0.088 0.000 1.394 250 H HN -0.644 7.809 8.280 0.318 0.019 0.568 251 L N -4.198 117.095 121.223 0.116 0.000 2.046 251 L HA -0.265 4.115 4.340 0.067 0.000 0.208 251 L C -0.201 176.696 176.870 0.044 0.000 1.077 251 L CA 1.765 56.643 54.840 0.064 0.000 0.747 251 L CB 0.270 42.349 42.059 0.033 0.000 0.896 251 L HN -0.531 7.592 8.230 0.109 0.172 0.432 252 N N -2.420 116.297 118.700 0.028 0.000 2.425 252 N HA 0.016 4.766 4.740 0.016 0.000 0.268 252 N C -0.419 175.093 175.510 0.004 0.000 0.991 252 N CA -0.159 52.898 53.050 0.012 0.000 0.931 252 N CB 0.683 39.170 38.487 0.001 0.000 1.130 252 N HN -0.832 7.563 8.380 0.025 0.000 0.493 253 G N 4.589 113.396 108.800 0.011 0.000 2.612 253 G HA2 -0.226 3.738 3.960 0.006 0.000 0.686 253 G HA3 -0.226 3.729 3.960 -0.009 0.000 0.686 253 G C -2.794 172.123 174.900 0.029 0.000 1.274 253 G CA -0.930 44.175 45.100 0.007 0.000 0.849 253 G HN -0.108 8.191 8.290 0.016 0.000 0.595 254 P HA 0.095 4.550 4.420 0.057 0.000 0.274 254 P C 0.013 177.363 177.300 0.083 0.000 1.237 254 P CA -0.708 62.422 63.100 0.051 0.000 0.793 254 P CB 0.906 32.628 31.700 0.036 0.000 0.977 255 L N -0.290 121.000 121.223 0.113 0.000 2.453 255 L HA -0.070 4.443 4.340 0.289 0.000 0.274 255 L C 0.146 177.100 176.870 0.140 0.000 1.270 255 L CA 0.439 55.383 54.840 0.173 0.000 0.822 255 L CB -1.267 40.860 42.059 0.113 0.000 1.091 255 L HN 0.148 8.433 8.230 0.091 0.000 0.546 256 P HA 0.058 4.532 4.420 0.090 0.000 0.255 256 P C -0.502 176.845 177.300 0.079 0.000 1.248 256 P CA 0.474 63.641 63.100 0.111 0.000 0.807 256 P CB 0.628 32.420 31.700 0.152 0.000 1.150 257 V N -0.732 119.237 119.914 0.091 0.000 2.490 257 V HA -0.149 4.029 4.120 0.095 0.000 0.250 257 V C -1.070 175.080 176.094 0.093 0.000 1.061 257 V CA 1.154 63.515 62.300 0.102 0.000 1.064 257 V CB -1.472 30.430 31.823 0.132 0.000 0.670 257 V HN -0.185 7.981 8.190 0.098 0.082 0.461 258 P HA -0.056 4.419 4.420 0.092 0.000 0.268 258 P C -1.488 175.888 177.300 0.128 0.000 1.205 258 P CA 0.204 63.356 63.100 0.087 0.000 0.771 258 P CB 0.269 31.998 31.700 0.048 0.000 0.858 259 F N 3.822 123.767 119.950 -0.008 0.000 2.361 259 F HA 0.293 4.816 4.527 -0.008 0.000 0.364 259 F C -0.782 175.014 175.800 -0.007 0.000 1.117 259 F CA -0.442 57.553 58.000 -0.009 0.000 1.071 259 F CB 1.161 40.151 39.000 -0.015 0.000 1.188 259 F HN 0.072 8.511 8.300 0.231 0.000 0.464 260 T N 4.162 118.362 114.554 -0.590 0.000 2.883 260 T HA 0.340 4.503 4.350 -0.312 0.000 0.301 260 T C -1.550 172.838 174.700 -0.520 0.000 1.158 260 T CA -1.155 60.693 62.100 -0.420 0.000 1.007 260 T CB 1.589 70.344 68.868 -0.188 0.000 1.186 260 T HN 0.224 8.083 8.240 -0.636 0.000 0.499 261 N N -0.125 118.386 118.700 -0.314 0.000 3.020 261 N HA 0.718 5.320 4.740 -0.229 0.000 0.248 261 N C -1.901 173.537 175.510 -0.120 0.000 1.480 261 N CA -0.705 52.207 53.050 -0.231 0.000 0.874 261 N CB 2.169 40.517 38.487 -0.231 0.000 1.433 261 N HN 0.886 9.135 8.380 -0.219 0.000 0.530 262 G N -1.813 106.936 108.800 -0.085 0.000 2.322 262 G HA2 0.098 4.034 3.960 -0.041 0.000 0.295 262 G HA3 0.098 4.028 3.960 -0.051 0.000 0.295 262 G C -1.057 173.819 174.900 -0.039 0.000 1.369 262 G CA -0.446 44.622 45.100 -0.052 0.000 0.821 262 G HN 0.128 8.365 8.290 -0.088 0.000 0.536 263 E N -0.776 119.407 120.200 -0.028 0.000 2.106 263 E HA -0.093 4.246 4.350 -0.019 0.000 0.192 263 E C 0.891 177.478 176.600 -0.023 0.000 0.984 263 E CA 1.010 57.397 56.400 -0.021 0.000 0.806 263 E CB 0.330 30.021 29.700 -0.015 0.000 0.750 263 E HN 0.050 8.395 8.360 -0.025 0.000 0.458 264 I N -4.834 115.720 120.570 -0.025 0.000 2.730 264 I HA 0.301 4.457 4.170 -0.023 0.000 0.298 264 I C -1.140 174.958 176.117 -0.031 0.000 1.089 264 I CA -1.236 60.049 61.300 -0.025 0.000 1.041 264 I CB 1.644 39.633 38.000 -0.019 0.000 1.235 264 I HN -0.775 7.419 8.210 -0.027 0.000 0.423 265 Q N 2.976 122.757 119.800 -0.031 0.000 2.286 265 Q HA 0.021 4.334 4.340 -0.045 0.000 0.257 265 Q C -0.370 175.611 176.000 -0.031 0.000 0.941 265 Q CA -0.153 55.628 55.803 -0.036 0.000 0.912 265 Q CB 0.808 29.526 28.738 -0.034 0.000 1.192 265 Q HN 0.077 8.331 8.270 -0.027 0.000 0.410 266 K N 2.635 123.015 120.400 -0.033 0.000 2.350 266 K HA 0.019 4.325 4.320 -0.024 0.000 0.279 266 K C -0.736 175.848 176.600 -0.026 0.000 1.027 266 K CA 0.184 56.454 56.287 -0.027 0.000 0.969 266 K CB 0.251 32.734 32.500 -0.028 0.000 0.954 266 K HN 0.268 8.494 8.250 -0.040 0.000 0.474 267 E N 2.020 122.207 120.200 -0.021 0.000 2.388 267 E HA 0.100 4.437 4.350 -0.022 0.000 0.289 267 E C -1.359 175.232 176.600 -0.016 0.000 0.944 267 E CA -0.451 55.937 56.400 -0.020 0.000 0.792 267 E CB 1.082 30.770 29.700 -0.019 0.000 1.239 267 E HN 0.086 8.435 8.360 -0.019 0.000 0.412 268 N N 5.488 124.179 118.700 -0.015 0.000 3.322 268 N HA 0.146 4.880 4.740 -0.011 0.000 0.290 268 N C -0.794 174.709 175.510 -0.011 0.000 1.297 268 N CA -0.418 52.625 53.050 -0.012 0.000 1.167 268 N CB -0.242 38.238 38.487 -0.011 0.000 1.434 268 N HN 0.317 8.687 8.380 -0.017 0.000 0.526 269 S N 1.721 117.415 115.700 -0.011 0.000 2.585 269 S HA 0.056 4.520 4.470 -0.009 0.000 0.273 269 S C 0.023 174.618 174.600 -0.008 0.000 1.339 269 S CA 0.343 58.537 58.200 -0.009 0.000 1.028 269 S CB 0.658 63.853 63.200 -0.009 0.000 0.906 269 S HN -0.407 7.842 8.310 -0.011 0.055 0.528 270 R N 2.364 122.860 120.500 -0.007 0.000 2.594 270 R HA -0.031 4.305 4.340 -0.006 0.000 0.272 270 R C -0.141 176.156 176.300 -0.005 0.000 1.074 270 R CA -0.030 56.067 56.100 -0.006 0.000 1.105 270 R CB 0.417 30.714 30.300 -0.005 0.000 1.008 270 R HN 0.147 8.413 8.270 -0.007 0.000 0.472 271 E N 1.981 122.178 120.200 -0.005 0.000 2.156 271 E HA 0.130 4.477 4.350 -0.005 0.000 0.279 271 E C -1.161 175.436 176.600 -0.004 0.000 0.965 271 E CA -0.281 56.116 56.400 -0.005 0.000 0.789 271 E CB 0.718 30.415 29.700 -0.005 0.000 1.098 271 E HN 0.241 8.598 8.360 -0.005 0.000 0.397 272 A N 5.019 127.837 122.820 -0.004 0.000 2.574 272 A HA 0.288 4.606 4.320 -0.004 0.000 0.297 272 A C -1.817 175.764 177.584 -0.003 0.000 1.062 272 A CA -0.140 51.895 52.037 -0.004 0.000 0.686 272 A CB 1.280 20.278 19.000 -0.004 0.000 1.285 272 A HN 0.274 8.421 8.150 -0.004 0.000 0.403 273 L N 0.488 121.710 121.223 -0.003 0.000 2.362 273 L HA 0.442 4.780 4.340 -0.003 0.000 0.271 273 L C -0.791 176.077 176.870 -0.003 0.000 1.002 273 L CA 0.236 55.075 54.840 -0.003 0.000 0.818 273 L CB 1.311 43.369 42.059 -0.003 0.000 1.298 273 L HN 0.286 8.514 8.230 -0.003 0.000 0.420 274 A N 2.879 125.697 122.820 -0.003 0.000 2.604 274 A HA 0.051 4.370 4.320 -0.003 0.000 0.295 274 A C -1.865 175.718 177.584 -0.003 0.000 1.067 274 A CA -0.580 51.456 52.037 -0.003 0.000 0.683 274 A CB 1.329 20.327 19.000 -0.003 0.000 1.281 274 A HN 0.058 8.207 8.150 -0.003 0.000 0.407 275 E N 1.607 121.805 120.200 -0.003 0.000 2.223 275 E HA 0.104 4.453 4.350 -0.002 0.000 0.282 275 E C -0.530 176.069 176.600 -0.002 0.000 1.046 275 E CA -0.360 56.038 56.400 -0.002 0.000 0.857 275 E CB 0.543 30.241 29.700 -0.003 0.000 1.055 275 E HN 0.195 8.553 8.360 -0.003 0.000 0.409 276 A N 3.959 126.778 122.820 -0.002 0.000 2.477 276 A HA 0.056 4.375 4.320 -0.002 0.000 0.246 276 A C -0.611 176.972 177.584 -0.001 0.000 1.078 276 A CA -0.194 51.842 52.037 -0.002 0.000 0.770 276 A CB 0.865 19.864 19.000 -0.001 0.000 1.011 276 A HN 0.197 8.346 8.150 -0.002 0.000 0.494 277 A N 1.492 124.311 122.820 -0.002 0.000 2.425 277 A HA -0.022 4.297 4.320 -0.002 0.000 0.249 277 A C 0.960 178.543 177.584 -0.000 0.000 1.084 277 A CA -0.206 51.830 52.037 -0.001 0.000 0.781 277 A CB 0.614 19.613 19.000 -0.002 0.000 1.019 277 A HN 0.086 8.235 8.150 -0.002 0.000 0.490 278 L N 0.034 121.257 121.223 0.000 0.000 2.046 278 L HA -0.195 4.146 4.340 0.002 0.000 0.208 278 L C 0.915 177.787 176.870 0.002 0.000 1.077 278 L CA 1.538 56.379 54.840 0.002 0.000 0.747 278 L CB 0.083 42.144 42.059 0.003 0.000 0.896 278 L HN 0.206 8.436 8.230 -0.000 0.000 0.432 279 E N -1.977 118.224 120.200 0.002 0.000 2.343 279 E HA 0.126 4.477 4.350 0.002 0.000 0.286 279 E C -1.482 175.119 176.600 0.001 0.000 0.915 279 E CA -0.005 56.397 56.400 0.002 0.000 0.784 279 E CB 0.754 30.456 29.700 0.004 0.000 1.251 279 E HN -0.427 7.934 8.360 0.001 0.000 0.407 280 S N 4.668 120.368 115.700 0.001 0.000 2.669 280 S HA 0.319 4.789 4.470 0.001 0.000 0.266 280 S C -2.386 172.215 174.600 0.000 0.000 1.149 280 S CA -1.142 57.058 58.200 0.000 0.000 0.842 280 S CB 0.879 64.078 63.200 -0.001 0.000 1.160 280 S HN -0.095 8.216 8.310 0.001 0.000 0.487 281 P HA 0.132 4.552 4.420 0.000 0.000 0.269 281 P C -1.520 175.781 177.300 0.000 0.000 1.209 281 P CA 0.089 63.189 63.100 0.000 0.000 0.776 281 P CB 0.463 32.163 31.700 0.001 0.000 0.876 282 R N 1.429 121.929 120.500 0.000 0.000 3.118 282 R HA 0.119 4.459 4.340 0.000 0.000 0.215 282 R C -2.239 174.061 176.300 -0.000 0.000 1.651 282 R CA -1.335 54.765 56.100 0.000 0.000 1.020 282 R CB 0.200 30.500 30.300 -0.000 0.000 1.526 282 R HN 0.119 8.389 8.270 -0.000 0.000 0.485 283 P HA 0.052 4.472 4.420 -0.001 0.000 0.269 283 P C -1.131 176.169 177.300 0.000 0.000 1.209 283 P CA -0.214 62.886 63.100 0.000 0.000 0.776 283 P CB 0.605 32.306 31.700 0.002 0.000 0.876 284 A N 2.274 125.093 122.820 -0.001 0.000 2.313 284 A HA 0.216 4.537 4.320 0.001 0.000 0.323 284 A C -1.163 176.422 177.584 0.001 0.000 1.133 284 A CA -0.448 51.589 52.037 -0.000 0.000 0.847 284 A CB 1.343 20.342 19.000 -0.002 0.000 1.308 284 A HN -0.034 8.114 8.150 -0.002 0.000 0.475 285 L N 0.876 122.100 121.223 0.002 0.000 2.380 285 L HA 0.083 4.426 4.340 0.004 0.000 0.273 285 L C 0.504 177.375 176.870 0.002 0.000 1.138 285 L CA 0.334 55.176 54.840 0.003 0.000 0.832 285 L CB 0.146 42.207 42.059 0.005 0.000 1.124 285 L HN 0.137 8.368 8.230 0.002 0.000 0.454 286 V N -2.692 117.224 119.914 0.003 0.000 3.392 286 V HA 0.274 4.394 4.120 -0.000 0.000 0.294 286 V C -0.133 175.964 176.094 0.004 0.000 1.561 286 V CA 0.348 62.649 62.300 0.001 0.000 1.056 286 V CB 1.046 32.868 31.823 -0.002 0.000 0.882 286 V HN 0.139 8.332 8.190 0.005 0.000 0.440 287 R N -1.274 119.231 120.500 0.007 0.000 2.509 287 R HA 0.231 4.577 4.340 0.010 0.000 0.297 287 R C -0.576 175.731 176.300 0.011 0.000 0.951 287 R CA -0.287 55.819 56.100 0.010 0.000 1.103 287 R CB 1.049 31.357 30.300 0.013 0.000 1.283 287 R HN -0.319 7.955 8.270 0.007 0.000 0.534 288 S N 0.643 116.349 115.700 0.010 0.000 2.452 288 S HA 0.174 4.652 4.470 0.013 0.000 0.284 288 S C -0.054 174.552 174.600 0.010 0.000 1.171 288 S CA -0.235 57.971 58.200 0.011 0.000 1.064 288 S CB 0.316 63.522 63.200 0.010 0.000 0.967 288 S HN -0.421 7.894 8.310 0.008 0.000 0.484 289 A N 5.910 128.737 122.820 0.011 0.000 2.744 289 A HA -0.267 4.060 4.320 0.011 0.000 0.300 289 A C 0.564 178.153 177.584 0.008 0.000 1.512 289 A CA 0.878 52.921 52.037 0.010 0.000 0.851 289 A CB -1.290 17.716 19.000 0.009 0.000 0.987 289 A HN 0.679 8.837 8.150 0.013 0.000 0.507 290 S N -1.939 113.766 115.700 0.008 0.000 2.368 290 S HA -0.297 4.176 4.470 0.005 0.000 0.225 290 S C 1.268 175.872 174.600 0.006 0.000 1.030 290 S CA 1.915 60.118 58.200 0.006 0.000 0.999 290 S CB 0.306 63.510 63.200 0.007 0.000 0.844 290 S HN 0.249 8.542 8.310 0.010 0.022 0.459 291 S N 0.296 116.000 115.700 0.008 0.000 4.158 291 S HA -0.343 4.133 4.470 0.009 0.000 0.538 291 S C -0.425 174.179 174.600 0.006 0.000 1.570 291 S CA 2.177 60.382 58.200 0.008 0.000 3.943 291 S CB -0.425 62.779 63.200 0.007 0.000 1.469 291 S HN -0.075 8.241 8.310 0.009 0.000 0.455 292 D N 1.511 121.914 120.400 0.005 0.000 2.383 292 D HA 0.117 4.759 4.640 0.004 0.000 0.248 292 D C -1.171 175.130 176.300 0.002 0.000 1.170 292 D CA -0.298 53.704 54.000 0.004 0.000 0.977 292 D CB 0.542 41.344 40.800 0.003 0.000 1.120 292 D HN -0.044 8.329 8.370 0.005 0.000 0.481 293 T N -3.895 110.660 114.554 0.001 0.000 2.806 293 T HA 0.171 4.521 4.350 -0.001 0.000 0.290 293 T C -0.252 174.446 174.700 -0.003 0.000 0.966 293 T CA -0.360 61.739 62.100 -0.001 0.000 1.060 293 T CB 0.242 69.109 68.868 -0.002 0.000 0.927 293 T HN 0.056 8.297 8.240 0.001 0.000 0.485 294 S N 3.499 119.197 115.700 -0.004 0.000 2.588 294 S HA 0.263 4.730 4.470 -0.005 0.000 0.269 294 S C -1.833 172.763 174.600 -0.007 0.000 1.157 294 S CA -0.555 57.642 58.200 -0.005 0.000 0.824 294 S CB 2.105 65.303 63.200 -0.003 0.000 1.126 294 S HN 0.210 8.518 8.310 -0.005 0.000 0.464 295 E N 1.253 121.448 120.200 -0.007 0.000 2.372 295 E HA 0.193 4.537 4.350 -0.010 0.000 0.279 295 E C -1.901 174.695 176.600 -0.008 0.000 0.946 295 E CA 0.261 56.655 56.400 -0.010 0.000 0.769 295 E CB 1.291 30.983 29.700 -0.013 0.000 1.230 295 E HN 0.090 8.446 8.360 -0.006 0.000 0.442 296 E N 1.802 121.997 120.200 -0.008 0.000 2.248 296 E HA 0.315 4.661 4.350 -0.006 0.000 0.267 296 E C 0.091 176.686 176.600 -0.008 0.000 0.877 296 E CA -0.726 55.670 56.400 -0.007 0.000 0.759 296 E CB 1.895 31.592 29.700 -0.005 0.000 1.182 296 E HN 0.367 8.722 8.360 -0.009 0.000 0.418 297 L N 1.853 123.072 121.223 -0.007 0.000 2.592 297 L HA 0.229 4.563 4.340 -0.009 0.000 0.227 297 L C 0.590 177.457 176.870 -0.005 0.000 1.127 297 L CA -0.334 54.502 54.840 -0.007 0.000 0.884 297 L CB -0.041 42.015 42.059 -0.006 0.000 1.065 297 L HN 0.394 8.621 8.230 -0.006 0.000 0.457 298 N N -2.108 116.590 118.700 -0.004 0.000 2.520 298 N HA -0.233 4.505 4.740 -0.003 0.000 0.185 298 N C 0.514 176.021 175.510 -0.003 0.000 1.068 298 N CA 1.003 54.051 53.050 -0.003 0.000 0.911 298 N CB -1.307 37.178 38.487 -0.003 0.000 0.961 298 N HN 0.298 8.595 8.380 -0.005 0.080 0.446 299 S N -0.060 115.637 115.700 -0.005 0.000 2.370 299 S HA -0.180 4.287 4.470 -0.004 0.000 0.226 299 S C 0.303 174.901 174.600 -0.004 0.000 1.033 299 S CA 2.207 60.404 58.200 -0.005 0.000 1.011 299 S CB 0.118 63.313 63.200 -0.007 0.000 0.852 299 S HN -0.229 8.003 8.310 -0.006 0.075 0.457 300 Q N 1.059 120.857 119.800 -0.005 0.000 2.295 300 Q HA -0.048 4.290 4.340 -0.003 0.000 0.259 300 Q C -0.546 175.452 176.000 -0.002 0.000 0.976 300 Q CA -0.174 55.627 55.803 -0.004 0.000 0.923 300 Q CB 0.194 28.929 28.738 -0.004 0.000 1.185 300 Q HN -0.748 7.519 8.270 -0.005 0.000 0.410 301 D N 3.973 124.372 120.400 -0.001 0.000 2.382 301 D HA -0.055 4.586 4.640 0.000 0.000 0.245 301 D C 0.653 176.953 176.300 0.000 0.000 1.120 301 D CA 0.760 54.760 54.000 0.000 0.000 0.890 301 D CB 0.691 41.492 40.800 0.001 0.000 1.201 301 D HN 0.068 8.437 8.370 -0.001 0.000 0.433 302 S N 3.304 119.005 115.700 0.001 0.000 3.688 302 S HA -0.159 4.312 4.470 0.002 0.000 0.561 302 S C -2.072 172.529 174.600 0.001 0.000 0.708 302 S CA -0.337 57.864 58.200 0.001 0.000 1.405 302 S CB 0.121 63.322 63.200 0.002 0.000 0.887 302 S HN 0.125 8.435 8.310 0.001 0.000 0.801 303 P HA 0.178 4.598 4.420 -0.001 0.000 0.274 303 P C -1.581 175.719 177.300 0.001 0.000 1.264 303 P CA -1.177 61.923 63.100 0.000 0.000 0.795 303 P CB 0.063 31.763 31.700 0.000 0.000 1.064 304 P HA -0.158 4.262 4.420 0.001 0.000 0.216 304 P C -0.761 176.541 177.300 0.002 0.000 1.150 304 P CA 1.352 64.452 63.100 0.001 0.000 0.843 304 P CB 0.410 32.110 31.700 0.000 0.000 0.787 305 K N -1.729 118.673 120.400 0.002 0.000 2.469 305 K HA 0.122 4.445 4.320 0.005 0.000 0.254 305 K C -1.022 175.581 176.600 0.004 0.000 0.939 305 K CA -0.709 55.580 56.287 0.004 0.000 0.812 305 K CB 1.463 33.965 32.500 0.004 0.000 1.301 305 K HN -0.500 7.733 8.250 0.002 0.018 0.433 306 Q N 1.227 121.031 119.800 0.006 0.000 2.169 306 Q HA 0.126 4.470 4.340 0.005 0.000 0.234 306 Q C -0.600 175.404 176.000 0.006 0.000 0.980 306 Q CA -0.785 55.022 55.803 0.006 0.000 0.941 306 Q CB 0.814 29.557 28.738 0.008 0.000 1.199 306 Q HN 0.135 8.409 8.270 0.007 0.000 0.496 307 D N 1.073 121.476 120.400 0.006 0.000 2.352 307 D HA 0.008 4.651 4.640 0.004 0.000 0.245 307 D C -0.522 175.782 176.300 0.006 0.000 1.224 307 D CA -0.255 53.748 54.000 0.005 0.000 0.879 307 D CB 0.160 40.962 40.800 0.004 0.000 1.057 307 D HN -0.065 8.309 8.370 0.006 0.000 0.491 308 S N 3.778 119.481 115.700 0.006 0.000 2.564 308 S HA 0.009 4.484 4.470 0.008 0.000 0.278 308 S C -0.391 174.212 174.600 0.005 0.000 1.333 308 S CA 0.640 58.844 58.200 0.006 0.000 1.048 308 S CB 0.594 63.797 63.200 0.006 0.000 0.900 308 S HN 0.180 8.493 8.310 0.005 0.000 0.505 309 T N 2.488 117.045 114.554 0.004 0.000 2.906 309 T HA 0.089 4.441 4.350 0.002 0.000 0.295 309 T C -1.241 173.460 174.700 0.001 0.000 1.075 309 T CA -1.458 60.643 62.100 0.003 0.000 1.005 309 T CB 1.471 70.341 68.868 0.004 0.000 1.136 309 T HN -0.345 7.899 8.240 0.006 0.000 0.498 310 A N 2.257 125.076 122.820 -0.000 0.000 2.531 310 A HA 0.117 4.436 4.320 -0.003 0.000 0.236 310 A C -0.237 177.345 177.584 -0.004 0.000 1.062 310 A CA -0.819 51.216 52.037 -0.003 0.000 0.760 310 A CB -0.920 18.078 19.000 -0.003 0.000 0.995 310 A HN 0.257 8.407 8.150 -0.000 0.000 0.501 311 P HA -0.150 4.265 4.420 -0.009 0.000 0.225 311 P C -0.902 176.392 177.300 -0.011 0.000 1.148 311 P CA 0.118 63.211 63.100 -0.011 0.000 0.779 311 P CB 0.261 31.951 31.700 -0.016 0.000 0.780 312 S N -2.626 113.068 115.700 -0.009 0.000 3.236 312 S HA -0.274 4.191 4.470 -0.007 0.000 0.629 312 S C -0.787 173.806 174.600 -0.011 0.000 2.873 312 S CA 0.981 59.176 58.200 -0.008 0.000 3.603 312 S CB -0.542 62.655 63.200 -0.006 0.000 0.287 312 S HN -0.478 7.773 8.310 -0.008 0.055 1.458 313 S N 1.121 116.815 115.700 -0.010 0.000 2.584 313 S HA 0.069 4.531 4.470 -0.012 0.000 0.270 313 S C -0.008 174.583 174.600 -0.016 0.000 1.346 313 S CA 0.004 58.197 58.200 -0.012 0.000 1.018 313 S CB 0.551 63.745 63.200 -0.009 0.000 0.899 313 S HN -0.002 8.304 8.310 -0.008 0.000 0.542 314 T N -0.538 114.005 114.554 -0.019 0.000 2.720 314 T HA -0.211 4.119 4.350 -0.033 0.000 0.268 314 T C 0.237 174.923 174.700 -0.025 0.000 1.037 314 T CA 1.728 63.812 62.100 -0.027 0.000 1.144 314 T CB 0.184 69.036 68.868 -0.028 0.000 0.864 314 T HN 0.167 8.397 8.240 -0.017 0.000 0.444 315 S N -0.367 115.323 115.700 -0.017 0.000 2.541 315 S HA 0.182 4.645 4.470 -0.012 0.000 0.280 315 S C -1.636 172.960 174.600 -0.007 0.000 1.112 315 S CA -0.593 57.600 58.200 -0.011 0.000 0.925 315 S CB 0.459 63.653 63.200 -0.010 0.000 1.067 315 S HN -0.482 7.819 8.310 -0.015 0.000 0.479 316 S N 3.432 119.130 115.700 -0.003 0.000 2.588 316 S HA 0.142 4.612 4.470 -0.001 0.000 0.269 316 S C -1.377 173.224 174.600 0.002 0.000 1.157 316 S CA -0.566 57.633 58.200 -0.001 0.000 0.824 316 S CB 1.967 65.166 63.200 -0.001 0.000 1.126 316 S HN -0.228 8.081 8.310 -0.002 0.000 0.464 317 S N 1.516 117.217 115.700 0.003 0.000 2.564 317 S HA -0.040 4.433 4.470 0.005 0.000 0.278 317 S C -0.083 174.520 174.600 0.006 0.000 1.333 317 S CA 1.072 59.275 58.200 0.004 0.000 1.048 317 S CB 0.387 63.589 63.200 0.003 0.000 0.900 317 S HN -0.020 8.291 8.310 0.002 0.000 0.505 318 D N 2.541 122.945 120.400 0.007 0.000 2.746 318 D HA -0.023 4.623 4.640 0.010 0.000 0.241 318 D C -1.866 174.440 176.300 0.010 0.000 1.140 318 D CA 0.026 54.031 54.000 0.008 0.000 0.707 318 D CB 0.096 40.900 40.800 0.007 0.000 1.034 318 D HN 0.099 8.473 8.370 0.008 0.000 0.423 319 P HA -0.034 4.393 4.420 0.011 0.000 0.271 319 P C -0.487 176.824 177.300 0.019 0.000 1.218 319 P CA -0.117 62.992 63.100 0.015 0.000 0.780 319 P CB 0.952 32.663 31.700 0.019 0.000 0.901 320 I N -3.454 117.127 120.570 0.018 0.000 3.861 320 I HA 0.161 4.343 4.170 0.019 0.000 0.329 320 I C -0.914 175.221 176.117 0.030 0.000 1.321 320 I CA -0.835 60.477 61.300 0.020 0.000 1.126 320 I CB -0.626 37.384 38.000 0.016 0.000 1.018 320 I HN 0.145 8.365 8.210 0.016 0.000 0.407 321 L N 2.346 123.592 121.223 0.039 0.000 2.290 321 L HA 0.064 4.443 4.340 0.064 0.000 0.284 321 L C 0.376 177.293 176.870 0.079 0.000 1.078 321 L CA 0.313 55.191 54.840 0.063 0.000 0.815 321 L CB -0.482 41.616 42.059 0.064 0.000 1.162 321 L HN -0.521 7.620 8.230 0.033 0.109 0.435 322 D N 2.325 122.777 120.400 0.088 0.000 2.402 322 D HA 0.015 4.686 4.640 0.051 0.000 0.216 322 D C 0.416 176.762 176.300 0.077 0.000 1.128 322 D CA -1.063 52.975 54.000 0.063 0.000 0.833 322 D CB -0.050 40.767 40.800 0.029 0.000 0.971 322 D HN 0.282 8.706 8.370 0.091 0.000 0.503 323 F N 1.908 121.855 119.950 -0.004 0.000 2.032 323 F HA -0.458 4.066 4.527 -0.004 0.000 0.297 323 F C 0.819 176.616 175.800 -0.005 0.000 1.125 323 F CA 3.899 61.896 58.000 -0.004 0.000 1.202 323 F CB 0.239 39.237 39.000 -0.003 0.000 0.958 323 F HN -0.370 8.018 8.300 0.269 0.074 0.491 324 N N -2.472 116.298 118.700 0.116 0.000 2.142 324 N HA -0.253 4.419 4.740 -0.114 0.000 0.186 324 N C 2.444 177.909 175.510 -0.075 0.000 1.023 324 N CA 3.177 56.225 53.050 -0.003 0.000 0.852 324 N CB -0.326 38.227 38.487 0.110 0.000 0.998 324 N HN 0.132 8.701 8.380 0.314 0.000 0.424 325 I N -0.766 119.786 120.570 -0.031 0.000 3.001 325 I HA -0.325 3.823 4.170 -0.036 0.000 0.268 325 I C 1.145 177.218 176.117 -0.074 0.000 1.267 325 I CA 1.991 63.268 61.300 -0.038 0.000 1.472 325 I CB -0.537 37.458 38.000 -0.009 0.000 1.089 325 I HN -0.342 7.815 8.210 0.015 0.062 0.468 326 S N 0.534 116.159 115.700 -0.124 0.000 2.370 326 S HA -0.324 4.089 4.470 -0.095 0.000 0.226 326 S C 1.533 176.049 174.600 -0.139 0.000 1.033 326 S CA 3.635 61.749 58.200 -0.144 0.000 1.011 326 S CB -0.083 62.975 63.200 -0.237 0.000 0.852 326 S HN 0.275 8.295 8.310 -0.149 0.201 0.457 327 L N -0.196 120.930 121.223 -0.162 0.000 2.046 327 L HA -0.223 4.042 4.340 -0.126 0.000 0.208 327 L C 1.659 178.474 176.870 -0.090 0.000 1.077 327 L CA 2.586 57.351 54.840 -0.126 0.000 0.747 327 L CB -0.326 41.659 42.059 -0.123 0.000 0.896 327 L HN -0.865 7.239 8.230 -0.200 0.006 0.432 328 A N -0.449 122.324 122.820 -0.078 0.000 1.933 328 A HA -0.288 3.995 4.320 -0.063 0.000 0.218 328 A C 2.152 179.697 177.584 -0.066 0.000 1.175 328 A CA 2.806 54.805 52.037 -0.063 0.000 0.628 328 A CB -0.670 18.302 19.000 -0.046 0.000 0.814 328 A HN -0.237 7.780 8.150 -0.082 0.084 0.444 329 M N -3.996 115.566 119.600 -0.063 0.000 2.539 329 M HA -0.236 4.214 4.480 -0.048 0.000 0.261 329 M C 1.221 177.482 176.300 -0.065 0.000 1.069 329 M CA 0.709 55.975 55.300 -0.056 0.000 1.081 329 M CB -1.535 31.037 32.600 -0.047 0.000 1.412 329 M HN -0.204 7.942 8.290 -0.067 0.104 0.482 330 A N -0.867 121.909 122.820 -0.074 0.000 1.930 330 A HA -0.308 3.974 4.320 -0.064 0.000 0.217 330 A C 1.722 179.251 177.584 -0.091 0.000 1.175 330 A CA 2.816 54.809 52.037 -0.074 0.000 0.627 330 A CB -0.696 18.260 19.000 -0.073 0.000 0.815 330 A HN -0.182 7.714 8.150 -0.077 0.208 0.443 331 K N -1.570 118.761 120.400 -0.116 0.000 2.147 331 K HA -0.365 3.848 4.320 -0.178 0.000 0.205 331 K C 1.575 178.031 176.600 -0.239 0.000 1.049 331 K CA 2.857 59.032 56.287 -0.188 0.000 0.936 331 K CB -0.160 32.217 32.500 -0.204 0.000 0.722 331 K HN -0.402 7.775 8.250 -0.103 0.012 0.446 332 E N -3.628 116.483 120.200 -0.147 0.000 2.267 332 E HA -0.341 3.955 4.350 -0.090 0.000 0.197 332 E C 0.938 177.510 176.600 -0.047 0.000 0.998 332 E CA 2.292 58.641 56.400 -0.085 0.000 0.830 332 E CB -0.548 29.133 29.700 -0.033 0.000 0.751 332 E HN -0.389 7.789 8.360 -0.112 0.115 0.491 333 R N -2.530 117.933 120.500 -0.061 0.000 2.081 333 R HA -0.254 4.078 4.340 -0.014 0.000 0.235 333 R C 2.663 178.956 176.300 -0.011 0.000 1.131 333 R CA 2.714 58.795 56.100 -0.030 0.000 0.960 333 R CB -0.164 30.114 30.300 -0.037 0.000 0.856 333 R HN -0.506 7.544 8.270 -0.082 0.171 0.436 334 A N -1.972 120.824 122.820 -0.041 0.000 1.930 334 A HA -0.148 4.191 4.320 0.032 0.000 0.217 334 A C 0.634 178.319 177.584 0.168 0.000 1.175 334 A CA 2.064 54.116 52.037 0.024 0.000 0.627 334 A CB -0.240 18.746 19.000 -0.023 0.000 0.815 334 A HN -0.547 7.541 8.150 -0.103 0.000 0.443 335 H N -3.544 115.522 119.070 -0.007 0.000 2.533 335 H HA 0.107 4.660 4.556 -0.005 0.000 0.271 335 H C -0.026 175.299 175.328 -0.005 0.000 1.000 335 H CA -1.505 54.539 56.048 -0.006 0.000 1.149 335 H CB -0.459 29.299 29.762 -0.006 0.000 1.375 335 H HN -0.747 7.448 8.280 -0.011 0.078 0.582 336 Q N 0.794 120.661 119.800 0.112 0.000 2.379 336 Q HA -0.220 4.151 4.340 0.052 0.000 0.320 336 Q C -0.401 175.627 176.000 0.045 0.000 1.153 336 Q CA 1.530 57.368 55.803 0.058 0.000 0.993 336 Q CB 0.467 29.226 28.738 0.034 0.000 1.265 336 Q HN -0.733 7.381 8.270 0.096 0.214 0.423 337 K N -0.175 120.243 120.400 0.029 0.000 3.439 337 K HA 0.107 4.436 4.320 0.015 0.000 0.170 337 K C -0.660 175.947 176.600 0.012 0.000 1.035 337 K CA -0.846 55.452 56.287 0.017 0.000 0.794 337 K CB 0.568 33.076 32.500 0.013 0.000 0.795 337 K HN 0.220 8.486 8.250 0.026 0.000 0.519 338 R N 2.152 122.659 120.500 0.011 0.000 3.572 338 R HA -0.131 4.213 4.340 0.007 0.000 0.186 338 R C -0.457 175.847 176.300 0.006 0.000 1.727 338 R CA 0.610 56.715 56.100 0.008 0.000 1.267 338 R CB -2.157 28.147 30.300 0.007 0.000 1.318 338 R HN 0.181 8.459 8.270 0.013 0.000 0.718 339 S N 0.780 116.483 115.700 0.005 0.000 2.562 339 S HA -0.031 4.442 4.470 0.004 0.000 0.221 339 S C 0.090 174.692 174.600 0.003 0.000 0.975 339 S CA 0.731 58.934 58.200 0.004 0.000 0.918 339 S CB 0.504 63.706 63.200 0.002 0.000 0.772 339 S HN 0.349 8.617 8.310 0.005 0.045 0.531 340 S N 1.343 117.044 115.700 0.003 0.000 2.585 340 S HA -0.009 4.462 4.470 0.001 0.000 0.273 340 S C -1.255 173.346 174.600 0.001 0.000 1.339 340 S CA 0.181 58.382 58.200 0.002 0.000 1.028 340 S CB 0.923 64.123 63.200 0.001 0.000 0.906 340 S HN -0.580 7.674 8.310 0.003 0.058 0.528 341 K N 2.174 122.574 120.400 0.000 0.000 2.525 341 K HA 0.191 4.511 4.320 0.000 0.000 0.254 341 K C -1.008 175.590 176.600 -0.004 0.000 0.934 341 K CA -0.200 56.087 56.287 0.000 0.000 0.802 341 K CB 1.160 33.661 32.500 0.003 0.000 1.295 341 K HN 0.136 8.386 8.250 -0.000 0.000 0.433 342 R N 2.344 122.840 120.500 -0.006 0.000 2.545 342 R HA 0.281 4.612 4.340 -0.015 0.000 0.289 342 R C -1.304 174.985 176.300 -0.017 0.000 1.327 342 R CA -0.339 55.753 56.100 -0.013 0.000 1.040 342 R CB -0.592 29.700 30.300 -0.014 0.000 1.176 342 R HN 0.336 8.603 8.270 -0.005 0.000 0.518 343 A N 5.558 128.365 122.820 -0.022 0.000 2.304 343 A HA 0.394 4.702 4.320 -0.020 0.000 0.301 343 A C -0.692 176.860 177.584 -0.053 0.000 1.132 343 A CA -2.083 49.937 52.037 -0.029 0.000 0.819 343 A CB 0.042 19.029 19.000 -0.021 0.000 1.094 343 A HN 0.222 8.360 8.150 -0.021 0.000 0.492 344 P HA -0.064 4.313 4.420 -0.071 0.000 0.223 344 P C -0.370 176.845 177.300 -0.143 0.000 1.151 344 P CA 0.737 63.788 63.100 -0.082 0.000 0.787 344 P CB 0.407 32.069 31.700 -0.063 0.000 0.788 345 Q N -1.629 118.062 119.800 -0.182 0.000 2.664 345 Q HA 0.023 4.105 4.340 -0.430 0.000 0.223 345 Q C -0.149 175.664 176.000 -0.312 0.000 1.298 345 Q CA -0.568 55.025 55.803 -0.350 0.000 0.965 345 Q CB -2.365 26.126 28.738 -0.411 0.000 1.510 345 Q HN 0.188 8.338 8.270 -0.128 0.043 0.567 346 M N 3.142 122.590 119.600 -0.254 0.000 2.086 346 M HA -0.269 4.133 4.480 -0.130 0.000 0.261 346 M C -0.037 176.139 176.300 -0.206 0.000 1.067 346 M CA 2.370 57.563 55.300 -0.178 0.000 1.116 346 M CB 0.667 33.190 32.600 -0.128 0.000 1.348 346 M HN -0.186 7.931 8.290 -0.240 0.029 0.407 347 D N -4.651 115.561 120.400 -0.313 0.000 2.671 347 D HA 0.033 4.529 4.640 -0.241 0.000 0.273 347 D C -1.764 174.286 176.300 -0.417 0.000 1.264 347 D CA -0.704 53.133 54.000 -0.273 0.000 0.788 347 D CB 1.395 42.142 40.800 -0.088 0.000 1.324 347 D HN -0.602 7.549 8.370 -0.364 0.000 0.424 348 W N 0.315 121.621 121.300 0.009 0.000 2.469 348 W HA 0.292 4.956 4.660 0.007 0.000 0.320 348 W C 1.178 177.702 176.519 0.007 0.000 1.086 348 W CA -1.077 56.273 57.345 0.008 0.000 1.211 348 W CB 1.891 31.357 29.460 0.009 0.000 1.298 348 W HN 0.045 8.310 8.180 0.143 0.000 0.525 349 S N 2.733 118.587 115.700 0.255 0.000 2.368 349 S HA -0.151 4.379 4.470 0.101 0.000 0.225 349 S C -0.066 174.617 174.600 0.139 0.000 1.030 349 S CA 1.835 60.123 58.200 0.147 0.000 0.999 349 S CB -0.007 63.264 63.200 0.118 0.000 0.844 349 S HN 0.142 8.636 8.310 0.307 0.000 0.459 350 K N -1.431 119.066 120.400 0.160 0.000 2.592 350 K HA 0.101 4.476 4.320 0.091 0.000 0.259 350 K C -2.098 174.530 176.600 0.046 0.000 0.937 350 K CA -0.095 56.248 56.287 0.093 0.000 0.874 350 K CB 1.222 33.759 32.500 0.062 0.000 1.339 350 K HN -0.659 7.723 8.250 0.221 0.000 0.425 351 K N 3.174 123.575 120.400 0.002 0.000 2.468 351 K HA 0.158 4.412 4.320 -0.111 0.000 0.252 351 K C -1.446 175.109 176.600 -0.075 0.000 0.932 351 K CA 0.098 56.334 56.287 -0.086 0.000 0.794 351 K CB 1.473 33.873 32.500 -0.166 0.000 1.241 351 K HN 0.138 8.402 8.250 0.023 0.000 0.428 352 N N 4.350 122.990 118.700 -0.100 0.000 2.703 352 N HA 0.248 4.942 4.740 -0.077 0.000 0.283 352 N C -0.331 175.089 175.510 -0.150 0.000 1.851 352 N CA 0.152 53.148 53.050 -0.089 0.000 0.826 352 N CB 0.580 39.044 38.487 -0.039 0.000 1.239 352 N HN 0.245 8.552 8.380 -0.121 0.000 0.495 353 E N 1.330 121.386 120.200 -0.240 0.000 2.150 353 E HA -0.233 3.925 4.350 -0.321 0.000 0.193 353 E C -0.719 175.640 176.600 -0.402 0.000 0.985 353 E CA 0.733 56.895 56.400 -0.396 0.000 0.814 353 E CB 0.158 29.460 29.700 -0.664 0.000 0.752 353 E HN 0.127 8.355 8.360 -0.220 0.000 0.466 354 L N -1.429 119.627 121.223 -0.278 0.000 3.592 354 L HA -0.335 3.990 4.340 -0.025 0.000 0.633 354 L C 0.403 177.178 176.870 -0.159 0.000 1.071 354 L CA -0.276 54.488 54.840 -0.126 0.000 1.090 354 L CB -1.085 40.942 42.059 -0.053 0.000 1.328 354 L HN -0.166 7.914 8.230 -0.219 0.019 0.786 355 F N 0.237 120.178 119.950 -0.015 0.000 2.134 355 F HA -0.282 4.237 4.527 -0.013 0.000 0.299 355 F C 0.441 176.243 175.800 0.004 0.000 1.097 355 F CA 2.171 60.166 58.000 -0.009 0.000 1.264 355 F CB 0.627 39.622 39.000 -0.008 0.000 1.001 355 F HN 0.139 8.559 8.300 0.201 0.000 0.479 356 S N -3.926 111.897 115.700 0.204 0.000 2.537 356 S HA 0.035 4.562 4.470 0.095 0.000 0.270 356 S C -1.219 173.445 174.600 0.106 0.000 1.142 356 S CA -0.121 58.154 58.200 0.126 0.000 0.870 356 S CB 1.991 65.265 63.200 0.123 0.000 1.112 356 S HN -0.409 8.043 8.310 0.236 0.000 0.466 357 N N 1.852 120.601 118.700 0.081 0.000 2.531 357 N HA 0.165 4.973 4.740 0.112 0.000 0.268 357 N C -0.652 174.893 175.510 0.058 0.000 1.023 357 N CA -0.243 52.858 53.050 0.085 0.000 0.896 357 N CB 0.484 39.018 38.487 0.077 0.000 1.233 357 N HN 0.019 8.439 8.380 0.066 0.000 0.512 358 L N 0.000 121.262 121.223 0.064 0.000 2.949 358 L HA 0.000 4.355 4.340 0.025 0.000 0.249 358 L CA 0.000 54.855 54.840 0.026 0.000 0.813 358 L CB 0.000 42.072 42.059 0.021 0.000 0.961 358 L HN 0.000 8.285 8.230 0.091 0.000 0.502