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 2v74_1_B DATA FIRST_RESID 147 DATA SEQUENCE AVQYFQFYGY LSQQQNMMQD YVRTGTYQRA ILQNHTDFKD KIVLDVGCGS DATA SEQUENCE GILSFFAAQA GARKIYAVEA STMAQHAEVL VKSNNLTDRI VVIPGKVEEV DATA SEQUENCE SLPEQVDIII SEPMGYMLFN ERMLESYLHA KKYLKPSGNM FPTIGDVHLA DATA SEQUENCE PFTDEQLYME QFTKANFWYQ PSFHGVDLSA LRGAAVDEYF RQPVVDTFDI DATA SEQUENCE RILMAKSVKY TVNFLEAKEG DLHRIEIPFK FHMLHSGLVH GLAFWFDVAF DATA SEQUENCE IGSIMTVWLS TAPTEPLTHW YQVRCLFQSP LFAKAGDTLS GTCLLIANKR DATA SEQUENCE QSYDISIVAQ VDQTGSKSSN LLDLKNPFFR Y 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 147 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 147 A C 0.000 177.686 177.584 0.169 0.000 1.274 147 A CA 0.000 52.064 52.037 0.045 0.000 0.836 147 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 148 V N 1.499 121.514 119.914 0.168 0.000 2.379 148 V HA -0.122 3.999 4.120 0.001 0.000 0.245 148 V C 3.132 179.361 176.094 0.225 0.000 1.044 148 V CA 3.053 65.481 62.300 0.213 0.000 1.036 148 V CB -1.169 30.741 31.823 0.146 0.000 0.664 148 V HN 1.199 9.389 8.190 -0.000 0.000 0.453 149 Q N -0.745 119.157 119.800 0.171 0.000 2.167 149 Q HA -0.258 4.083 4.340 0.001 0.000 0.202 149 Q C 2.013 178.134 176.000 0.201 0.000 0.970 149 Q CA 1.932 57.834 55.803 0.165 0.000 0.855 149 Q CB -1.154 27.647 28.738 0.106 0.000 0.911 149 Q HN 0.870 9.140 8.270 -0.000 0.000 0.438 150 Y N -0.605 119.714 120.300 0.032 0.000 2.200 150 Y HA -0.081 4.469 4.550 0.001 0.000 0.290 150 Y C 1.932 177.928 175.900 0.160 0.000 1.137 150 Y CA 1.946 60.041 58.100 -0.007 0.000 1.163 150 Y CB -0.092 38.215 38.460 -0.255 0.000 0.988 150 Y HN 0.338 8.618 8.280 -0.000 0.000 0.518 151 F N -0.060 120.098 119.950 0.346 0.000 2.367 151 F HA -0.123 4.405 4.527 0.001 0.000 0.298 151 F C 2.436 178.360 175.800 0.206 0.000 1.094 151 F CA 0.838 58.986 58.000 0.246 0.000 1.409 151 F CB -0.192 38.948 39.000 0.233 0.000 1.064 151 F HN 0.061 8.361 8.300 -0.000 0.000 0.528 152 Q N -0.284 119.743 119.800 0.378 0.000 2.119 152 Q HA -0.202 4.138 4.340 0.001 0.000 0.201 152 Q C 2.011 178.243 176.000 0.388 0.000 0.972 152 Q CA 1.607 57.609 55.803 0.333 0.000 0.847 152 Q CB -0.295 28.623 28.738 0.301 0.000 0.903 152 Q HN 0.428 8.698 8.270 -0.000 0.000 0.433 153 F N -0.302 119.709 119.950 0.103 0.000 2.065 153 F HA -0.273 4.254 4.527 0.001 0.000 0.298 153 F C 1.200 176.900 175.800 -0.168 0.000 1.112 153 F CA 1.598 59.526 58.000 -0.119 0.000 1.212 153 F CB -0.174 38.645 39.000 -0.303 0.000 0.975 153 F HN 0.103 8.403 8.300 -0.000 0.000 0.476 154 Y N -0.319 120.012 120.300 0.052 0.000 2.502 154 Y HA 0.163 4.713 4.550 0.001 0.000 0.295 154 Y C 2.225 178.146 175.900 0.034 0.000 1.193 154 Y CA 0.420 58.504 58.100 -0.026 0.000 1.295 154 Y CB -0.620 37.833 38.460 -0.013 0.000 1.059 154 Y HN 0.137 8.417 8.280 -0.000 0.000 0.514 155 G N -1.602 107.311 108.800 0.189 0.000 2.838 155 G HA2 -0.078 3.883 3.960 0.001 0.000 0.210 155 G HA3 -0.078 3.883 3.960 0.001 0.000 0.210 155 G C -0.237 174.646 174.900 -0.028 0.000 1.153 155 G CA -0.046 45.105 45.100 0.085 0.000 0.778 155 G HN 0.173 8.463 8.290 -0.000 0.000 0.539 156 Y N 0.480 120.720 120.300 -0.099 0.000 2.336 156 Y HA 0.354 4.905 4.550 0.001 0.000 0.335 156 Y C 1.459 177.283 175.900 -0.127 0.000 1.046 156 Y CA -0.785 57.242 58.100 -0.122 0.000 1.198 156 Y CB 1.555 39.884 38.460 -0.218 0.000 1.182 156 Y HN -0.144 8.136 8.280 -0.000 0.000 0.502 157 L N 1.432 122.664 121.223 0.015 0.000 2.042 157 L HA -0.299 4.042 4.340 0.001 0.000 0.210 157 L C 2.372 179.208 176.870 -0.056 0.000 1.076 157 L CA 1.841 56.662 54.840 -0.031 0.000 0.749 157 L CB -0.519 41.484 42.059 -0.094 0.000 0.893 157 L HN 0.788 9.018 8.230 -0.000 0.000 0.432 158 S N -1.162 114.511 115.700 -0.045 0.000 2.387 158 S HA -0.264 4.207 4.470 0.001 0.000 0.230 158 S C 1.966 176.465 174.600 -0.169 0.000 1.035 158 S CA 1.051 59.197 58.200 -0.090 0.000 1.014 158 S CB -0.343 62.811 63.200 -0.076 0.000 0.836 158 S HN 0.403 8.713 8.310 -0.000 0.000 0.466 159 Q N 0.827 120.478 119.800 -0.248 0.000 2.123 159 Q HA 0.062 4.403 4.340 0.001 0.000 0.199 159 Q C 2.477 178.320 176.000 -0.262 0.000 0.966 159 Q CA 1.207 56.764 55.803 -0.410 0.000 0.845 159 Q CB -0.476 27.774 28.738 -0.813 0.000 0.907 159 Q HN 0.668 8.938 8.270 -0.000 0.000 0.439 160 Q N 0.231 119.943 119.800 -0.146 0.000 2.119 160 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 160 Q C 1.975 177.922 176.000 -0.089 0.000 0.972 160 Q CA 1.115 56.875 55.803 -0.070 0.000 0.847 160 Q CB -0.108 28.623 28.738 -0.011 0.000 0.903 160 Q HN 0.549 8.819 8.270 -0.000 0.000 0.433 161 Q N 0.926 120.669 119.800 -0.096 0.000 2.119 161 Q HA -0.146 4.194 4.340 0.001 0.000 0.201 161 Q C 1.818 177.756 176.000 -0.104 0.000 0.972 161 Q CA 1.211 56.964 55.803 -0.084 0.000 0.847 161 Q CB -0.131 28.561 28.738 -0.077 0.000 0.903 161 Q HN 0.348 8.618 8.270 -0.000 0.000 0.433 162 N N -0.536 118.077 118.700 -0.145 0.000 2.223 162 N HA -0.147 4.593 4.740 0.001 0.000 0.185 162 N C 1.753 177.102 175.510 -0.268 0.000 1.016 162 N CA 1.307 54.253 53.050 -0.174 0.000 0.863 162 N CB 0.002 38.375 38.487 -0.190 0.000 0.983 162 N HN 0.384 8.764 8.380 -0.000 0.000 0.429 163 M N -0.112 119.306 119.600 -0.304 0.000 2.216 163 M HA -0.019 4.461 4.480 0.001 0.000 0.264 163 M C 2.266 178.460 176.300 -0.177 0.000 1.080 163 M CA 1.015 56.074 55.300 -0.401 0.000 1.153 163 M CB -0.195 32.230 32.600 -0.291 0.000 1.356 163 M HN 0.094 8.384 8.290 -0.000 0.000 0.432 164 M N 0.447 119.988 119.600 -0.099 0.000 2.108 164 M HA -0.237 4.243 4.480 0.001 0.000 0.261 164 M C 2.755 179.064 176.300 0.015 0.000 1.066 164 M CA 2.397 57.683 55.300 -0.024 0.000 1.107 164 M CB -1.130 31.457 32.600 -0.021 0.000 1.356 164 M HN 0.489 8.779 8.290 -0.000 0.000 0.406 165 Q N 0.289 120.079 119.800 -0.016 0.000 2.291 165 Q HA -0.135 4.205 4.340 0.001 0.000 0.206 165 Q C 0.919 176.951 176.000 0.054 0.000 0.976 165 Q CA 1.578 57.390 55.803 0.016 0.000 0.875 165 Q CB -1.066 27.663 28.738 -0.016 0.000 0.927 165 Q HN 0.545 8.815 8.270 -0.000 0.000 0.450 166 D N -1.000 119.421 120.400 0.034 0.000 2.367 166 D HA 0.019 4.659 4.640 0.001 0.000 0.255 166 D C 0.487 176.875 176.300 0.147 0.000 1.300 166 D CA -0.432 53.621 54.000 0.088 0.000 0.959 166 D CB -0.195 40.682 40.800 0.128 0.000 1.064 166 D HN 0.460 8.830 8.370 -0.000 0.000 0.509 167 Y N 4.314 124.641 120.300 0.046 0.000 2.200 167 Y HA -0.209 4.342 4.550 0.001 0.000 0.290 167 Y C 1.861 177.814 175.900 0.088 0.000 1.137 167 Y CA 1.315 59.450 58.100 0.058 0.000 1.163 167 Y CB -0.211 38.266 38.460 0.028 0.000 0.988 167 Y HN 0.279 8.559 8.280 -0.000 0.000 0.518 168 V N 1.303 121.218 119.914 0.001 0.000 2.252 168 V HA -0.355 3.765 4.120 0.001 0.000 0.249 168 V C 2.618 178.728 176.094 0.026 0.000 1.056 168 V CA 2.380 64.652 62.300 -0.047 0.000 1.022 168 V CB -0.822 31.030 31.823 0.048 0.000 0.641 168 V HN 0.360 8.550 8.190 -0.000 0.000 0.445 169 R N -0.028 120.575 120.500 0.172 0.000 2.109 169 R HA -0.198 4.142 4.340 0.001 0.000 0.227 169 R C 2.428 178.886 176.300 0.263 0.000 1.132 169 R CA 2.539 58.841 56.100 0.336 0.000 0.907 169 R CB -0.919 29.612 30.300 0.385 0.000 0.825 169 R HN 0.531 8.801 8.270 -0.000 0.000 0.432 170 T N -0.390 114.258 114.554 0.156 0.000 2.737 170 T HA -0.145 4.205 4.350 0.001 0.000 0.269 170 T C 1.653 176.435 174.700 0.136 0.000 1.040 170 T CA 1.457 63.667 62.100 0.184 0.000 1.142 170 T CB -0.512 68.460 68.868 0.173 0.000 0.861 170 T HN 0.637 8.877 8.240 -0.000 0.000 0.456 171 G N 0.675 109.369 108.800 -0.178 0.000 2.430 171 G HA2 -0.117 3.844 3.960 0.001 0.000 0.216 171 G HA3 -0.117 3.844 3.960 0.001 0.000 0.216 171 G C 1.693 176.449 174.900 -0.240 0.000 1.146 171 G CA 1.071 45.932 45.100 -0.397 0.000 0.793 171 G HN 0.446 8.736 8.290 -0.000 0.000 0.537 172 T N 0.491 114.973 114.554 -0.120 0.000 2.708 172 T HA -0.127 4.223 4.350 0.001 0.000 0.266 172 T C 2.046 176.634 174.700 -0.187 0.000 1.037 172 T CA 1.143 63.187 62.100 -0.094 0.000 1.146 172 T CB -0.375 68.507 68.868 0.024 0.000 0.865 172 T HN 0.271 8.511 8.240 -0.000 0.000 0.435 173 Y N 1.621 121.821 120.300 -0.167 0.000 2.081 173 Y HA -0.211 4.339 4.550 0.001 0.000 0.280 173 Y C 2.902 178.684 175.900 -0.196 0.000 1.163 173 Y CA 1.448 59.422 58.100 -0.210 0.000 1.135 173 Y CB -0.519 38.028 38.460 0.144 0.000 0.970 173 Y HN 0.230 8.510 8.280 -0.000 0.000 0.498 174 Q N 0.064 119.777 119.800 -0.145 0.000 2.030 174 Q HA -0.303 4.037 4.340 0.001 0.000 0.204 174 Q C 2.463 178.261 176.000 -0.337 0.000 0.986 174 Q CA 2.014 57.437 55.803 -0.634 0.000 0.843 174 Q CB -0.206 27.839 28.738 -1.154 0.000 0.904 174 Q HN 0.408 8.678 8.270 -0.000 0.000 0.420 175 R N -0.064 120.283 120.500 -0.254 0.000 2.096 175 R HA -0.222 4.118 4.340 0.001 0.000 0.240 175 R C 2.061 178.278 176.300 -0.139 0.000 1.139 175 R CA 1.670 57.672 56.100 -0.163 0.000 0.952 175 R CB -0.455 29.766 30.300 -0.132 0.000 0.854 175 R HN 0.316 8.586 8.270 -0.000 0.000 0.436 176 A N 0.865 123.534 122.820 -0.252 0.000 1.841 176 A HA -0.185 4.135 4.320 0.001 0.000 0.216 176 A C 2.218 179.844 177.584 0.071 0.000 1.199 176 A CA 1.896 53.771 52.037 -0.269 0.000 0.621 176 A CB -0.777 17.635 19.000 -0.980 0.000 0.835 176 A HN 0.380 8.530 8.150 -0.000 0.000 0.445 177 I N -0.168 120.447 120.570 0.075 0.000 2.118 177 I HA -0.296 3.874 4.170 0.001 0.000 0.241 177 I C 2.422 178.582 176.117 0.071 0.000 1.070 177 I CA 1.478 62.838 61.300 0.100 0.000 1.327 177 I CB -0.334 37.563 38.000 -0.171 0.000 1.034 177 I HN 0.305 8.515 8.210 -0.000 0.000 0.405 178 L N -0.452 120.769 121.223 -0.004 0.000 2.141 178 L HA -0.204 4.137 4.340 0.001 0.000 0.209 178 L C 2.390 179.357 176.870 0.162 0.000 1.094 178 L CA 1.251 56.120 54.840 0.048 0.000 0.763 178 L CB -0.504 41.534 42.059 -0.035 0.000 0.908 178 L HN 0.372 8.602 8.230 -0.000 0.000 0.437 179 Q N 0.337 120.203 119.800 0.111 0.000 2.398 179 Q HA -0.039 4.301 4.340 0.001 0.000 0.204 179 Q C -0.007 176.019 176.000 0.042 0.000 0.932 179 Q CA 0.441 56.307 55.803 0.105 0.000 0.916 179 Q CB 0.237 29.008 28.738 0.054 0.000 1.024 179 Q HN 0.618 8.888 8.270 -0.000 0.000 0.504 180 N N -0.523 118.233 118.700 0.092 0.000 2.914 180 N HA 0.016 4.757 4.740 0.001 0.000 0.304 180 N C 0.473 176.024 175.510 0.068 0.000 1.727 180 N CA -0.285 52.774 53.050 0.014 0.000 0.986 180 N CB -0.047 38.539 38.487 0.166 0.000 1.297 180 N HN 0.166 8.546 8.380 -0.000 0.000 0.490 181 H N -1.016 118.170 119.070 0.193 0.000 2.421 181 H HA -0.136 4.421 4.556 0.001 0.000 0.298 181 H C 1.027 176.469 175.328 0.189 0.000 1.087 181 H CA 1.699 57.876 56.048 0.214 0.000 1.330 181 H CB -0.749 29.085 29.762 0.120 0.000 1.388 181 H HN 0.458 8.738 8.280 -0.000 0.000 0.526 182 T N -0.104 114.460 114.554 0.017 0.000 2.737 182 T HA -0.209 4.142 4.350 0.001 0.000 0.269 182 T C 1.526 176.211 174.700 -0.025 0.000 1.040 182 T CA 1.501 63.625 62.100 0.040 0.000 1.142 182 T CB -0.422 68.421 68.868 -0.042 0.000 0.861 182 T HN 0.332 8.572 8.240 -0.000 0.000 0.456 183 D N 0.055 120.389 120.400 -0.110 0.000 2.384 183 D HA 0.026 4.666 4.640 0.001 0.000 0.222 183 D C 0.761 176.627 176.300 -0.723 0.000 0.976 183 D CA 0.873 54.622 54.000 -0.418 0.000 0.915 183 D CB -0.010 40.427 40.800 -0.606 0.000 0.896 183 D HN 0.535 8.905 8.370 -0.000 0.000 0.523 184 F N -0.278 119.654 119.950 -0.030 0.000 2.570 184 F HA 0.112 4.639 4.527 0.001 0.000 0.290 184 F C 0.701 176.517 175.800 0.027 0.000 0.910 184 F CA -0.694 57.301 58.000 -0.008 0.000 1.119 184 F CB 0.019 39.022 39.000 0.004 0.000 0.922 184 F HN -0.390 7.910 8.300 -0.000 0.000 0.703 185 K N 2.480 123.021 120.400 0.235 0.000 2.404 185 K HA -0.132 4.189 4.320 0.001 0.000 0.271 185 K C 0.101 176.761 176.600 0.101 0.000 1.130 185 K CA 0.773 57.156 56.287 0.159 0.000 1.181 185 K CB -0.853 31.743 32.500 0.160 0.000 0.840 185 K HN 0.351 8.601 8.250 -0.000 0.000 0.483 186 D N 2.124 122.576 120.400 0.086 0.000 2.981 186 D HA -0.183 4.457 4.640 0.001 0.000 0.223 186 D C -0.514 175.818 176.300 0.053 0.000 1.151 186 D CA 0.992 55.027 54.000 0.059 0.000 0.827 186 D CB -0.087 40.741 40.800 0.046 0.000 1.101 186 D HN 0.539 8.909 8.370 -0.000 0.000 0.426 187 K N -0.245 120.195 120.400 0.067 0.000 2.303 187 K HA 0.652 4.972 4.320 0.001 0.000 0.233 187 K C 0.307 176.951 176.600 0.072 0.000 1.046 187 K CA -0.852 55.465 56.287 0.049 0.000 0.895 187 K CB 1.079 33.582 32.500 0.005 0.000 1.220 187 K HN -0.099 8.151 8.250 -0.000 0.000 0.470 188 I N 1.020 121.635 120.570 0.074 0.000 2.339 188 I HA 0.193 4.363 4.170 0.001 0.000 0.290 188 I C -0.465 175.735 176.117 0.139 0.000 0.994 188 I CA -0.554 60.820 61.300 0.123 0.000 1.191 188 I CB 1.612 39.708 38.000 0.159 0.000 1.343 188 I HN 0.105 8.315 8.210 -0.000 0.000 0.458 189 V N 6.602 126.620 119.914 0.173 0.000 2.815 189 V HA 0.511 4.632 4.120 0.001 0.000 0.314 189 V C -0.397 175.829 176.094 0.219 0.000 1.064 189 V CA -0.876 61.538 62.300 0.189 0.000 0.952 189 V CB 2.354 34.316 31.823 0.232 0.000 1.020 189 V HN 0.487 8.677 8.190 -0.000 0.000 0.439 190 L N 2.793 124.133 121.223 0.196 0.000 2.356 190 L HA 0.607 4.947 4.340 0.001 0.000 0.277 190 L C -1.382 175.596 176.870 0.180 0.000 0.996 190 L CA -0.326 54.623 54.840 0.181 0.000 0.822 190 L CB 1.788 43.932 42.059 0.141 0.000 1.256 190 L HN 0.692 8.922 8.230 -0.000 0.000 0.413 191 D N 4.049 124.531 120.400 0.136 0.000 2.303 191 D HA 0.224 4.864 4.640 0.001 0.000 0.236 191 D C -0.908 175.457 176.300 0.109 0.000 1.068 191 D CA -0.110 53.961 54.000 0.118 0.000 0.830 191 D CB 2.228 43.053 40.800 0.042 0.000 1.109 191 D HN 0.282 8.652 8.370 -0.000 0.000 0.496 192 V N 3.116 123.114 119.914 0.140 0.000 2.333 192 V HA 0.655 4.776 4.120 0.001 0.000 0.274 192 V C 0.620 176.771 176.094 0.095 0.000 1.028 192 V CA 0.451 62.834 62.300 0.138 0.000 0.851 192 V CB 0.480 32.435 31.823 0.220 0.000 1.000 192 V HN 0.800 8.990 8.190 -0.000 0.000 0.456 193 G N 4.951 113.797 108.800 0.077 0.000 2.385 193 G HA2 -0.246 3.715 3.960 0.001 0.000 0.294 193 G HA3 -0.246 3.715 3.960 0.001 0.000 0.294 193 G C 0.701 175.615 174.900 0.024 0.000 1.070 193 G CA 0.414 45.550 45.100 0.060 0.000 1.172 193 G HN 2.205 10.495 8.290 -0.000 0.000 0.516 194 C N -0.146 119.158 119.300 0.007 0.000 2.472 194 C HA 0.478 4.938 4.460 0.001 0.000 0.278 194 C C 2.758 177.735 174.990 -0.021 0.000 1.447 194 C CA 0.674 59.677 59.018 -0.025 0.000 1.773 194 C CB -1.287 26.417 27.740 -0.059 0.000 1.793 194 C HN 2.485 10.715 8.230 -0.000 0.000 0.544 195 G N 1.932 110.738 108.800 0.010 0.000 2.665 195 G HA2 -0.462 3.499 3.960 0.001 0.000 0.326 195 G HA3 -0.462 3.499 3.960 0.001 0.000 0.326 195 G C 1.397 176.320 174.900 0.038 0.000 1.231 195 G CA 2.431 47.554 45.100 0.039 0.000 0.992 195 G HN 1.483 9.773 8.290 -0.000 0.000 0.549 196 S N 0.624 116.348 115.700 0.040 0.000 2.442 196 S HA 0.298 4.769 4.470 0.001 0.000 0.236 196 S C 2.426 177.086 174.600 0.100 0.000 1.007 196 S CA 1.814 60.053 58.200 0.065 0.000 0.965 196 S CB -0.115 63.110 63.200 0.042 0.000 0.773 196 S HN 2.849 11.159 8.310 -0.000 0.000 0.504 197 G N 0.453 109.267 108.800 0.022 0.000 2.179 197 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 197 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 197 G C 0.472 175.319 174.900 -0.088 0.000 0.990 197 G CA 0.161 45.208 45.100 -0.088 0.000 0.646 197 G HN 0.554 8.844 8.290 -0.000 0.000 0.517 198 I N 0.346 120.902 120.570 -0.022 0.000 2.264 198 I HA -0.035 4.135 4.170 0.001 0.000 0.248 198 I C 2.343 178.105 176.117 -0.591 0.000 1.111 198 I CA 1.843 63.041 61.300 -0.171 0.000 1.382 198 I CB -0.089 37.768 38.000 -0.240 0.000 1.060 198 I HN 0.224 8.434 8.210 -0.000 0.000 0.418 199 L N -0.110 120.867 121.223 -0.410 0.000 2.109 199 L HA -0.064 4.276 4.340 0.001 0.000 0.207 199 L C 2.593 179.347 176.870 -0.193 0.000 1.086 199 L CA 1.561 56.212 54.840 -0.314 0.000 0.760 199 L CB -1.358 40.662 42.059 -0.066 0.000 0.910 199 L HN 0.197 8.427 8.230 -0.000 0.000 0.437 200 S N -0.784 114.779 115.700 -0.228 0.000 2.399 200 S HA -0.111 4.360 4.470 0.001 0.000 0.231 200 S C 1.908 176.353 174.600 -0.258 0.000 1.022 200 S CA 1.015 59.066 58.200 -0.248 0.000 0.983 200 S CB -0.457 62.534 63.200 -0.349 0.000 0.803 200 S HN 0.306 8.616 8.310 -0.000 0.000 0.480 201 F N 0.782 120.642 119.950 -0.150 0.000 2.146 201 F HA -0.032 4.495 4.527 0.001 0.000 0.298 201 F C 2.009 177.856 175.800 0.078 0.000 1.096 201 F CA 0.725 58.687 58.000 -0.064 0.000 1.275 201 F CB -0.461 38.485 39.000 -0.090 0.000 1.008 201 F HN 0.137 8.437 8.300 -0.000 0.000 0.480 202 F N 0.540 120.556 119.950 0.110 0.000 2.126 202 F HA -0.214 4.314 4.527 0.001 0.000 0.299 202 F C 2.540 178.253 175.800 -0.146 0.000 1.096 202 F CA 0.600 58.593 58.000 -0.011 0.000 1.255 202 F CB -1.798 37.189 39.000 -0.022 0.000 0.997 202 F HN -0.051 8.249 8.300 -0.000 0.000 0.479 203 A N 0.310 123.117 122.820 -0.022 0.000 1.883 203 A HA -0.108 4.213 4.320 0.001 0.000 0.217 203 A C 2.532 180.076 177.584 -0.067 0.000 1.186 203 A CA 2.299 54.207 52.037 -0.216 0.000 0.624 203 A CB -1.343 17.584 19.000 -0.121 0.000 0.822 203 A HN 0.304 8.454 8.150 -0.000 0.000 0.444 204 A N -0.871 121.952 122.820 0.005 0.000 1.940 204 A HA -0.252 4.069 4.320 0.001 0.000 0.219 204 A C 2.100 179.720 177.584 0.059 0.000 1.176 204 A CA 1.874 53.935 52.037 0.041 0.000 0.631 204 A CB -0.596 18.449 19.000 0.075 0.000 0.814 204 A HN 0.675 8.825 8.150 -0.000 0.000 0.446 205 Q N -0.854 118.995 119.800 0.082 0.000 2.167 205 Q HA 0.033 4.374 4.340 0.001 0.000 0.202 205 Q C 2.217 178.235 176.000 0.031 0.000 0.970 205 Q CA 1.152 56.993 55.803 0.064 0.000 0.855 205 Q CB -0.326 28.463 28.738 0.084 0.000 0.911 205 Q HN 0.689 8.959 8.270 -0.000 0.000 0.438 206 A N -0.030 122.798 122.820 0.012 0.000 2.119 206 A HA 0.184 4.504 4.320 0.001 0.000 0.217 206 A C 1.518 179.166 177.584 0.107 0.000 1.153 206 A CA 1.095 53.165 52.037 0.055 0.000 0.692 206 A CB -0.235 18.756 19.000 -0.014 0.000 0.799 206 A HN 0.462 8.612 8.150 -0.000 0.000 0.458 207 G N -2.387 106.460 108.800 0.079 0.000 2.143 207 G HA2 0.227 4.188 3.960 0.001 0.000 0.175 207 G HA3 0.227 4.188 3.960 0.001 0.000 0.175 207 G C 0.430 175.387 174.900 0.094 0.000 1.004 207 G CA 0.196 45.341 45.100 0.076 0.000 0.671 207 G HN 1.445 9.735 8.290 -0.000 0.000 0.512 208 A N -0.250 122.637 122.820 0.112 0.000 2.482 208 A HA 0.584 4.904 4.320 0.001 0.000 0.249 208 A C 1.510 179.131 177.584 0.061 0.000 1.114 208 A CA 1.468 53.577 52.037 0.119 0.000 0.797 208 A CB 0.172 19.248 19.000 0.127 0.000 1.067 208 A HN 0.633 8.783 8.150 -0.000 0.000 0.514 209 R N -1.040 119.489 120.500 0.048 0.000 2.225 209 R HA 0.187 4.528 4.340 0.001 0.000 0.194 209 R C -0.402 175.884 176.300 -0.023 0.000 0.949 209 R CA 0.875 56.986 56.100 0.018 0.000 1.088 209 R CB 0.201 30.518 30.300 0.028 0.000 1.106 209 R HN 0.635 8.905 8.270 -0.000 0.000 0.566 210 K N 0.560 120.938 120.400 -0.036 0.000 2.565 210 K HA 0.374 4.695 4.320 0.001 0.000 0.251 210 K C -1.898 174.595 176.600 -0.179 0.000 0.956 210 K CA -0.304 55.891 56.287 -0.153 0.000 0.809 210 K CB 1.417 33.829 32.500 -0.146 0.000 1.267 210 K HN 0.006 8.256 8.250 -0.000 0.000 0.438 211 I N 4.660 125.049 120.570 -0.302 0.000 2.447 211 I HA 0.348 4.519 4.170 0.001 0.000 0.287 211 I C -1.116 174.796 176.117 -0.343 0.000 1.023 211 I CA -0.781 60.400 61.300 -0.199 0.000 1.083 211 I CB 1.420 39.346 38.000 -0.123 0.000 1.245 211 I HN 0.510 8.720 8.210 -0.000 0.000 0.434 212 Y N 5.005 125.277 120.300 -0.047 0.000 2.404 212 Y HA 0.629 5.179 4.550 0.001 0.000 0.344 212 Y C 0.501 176.362 175.900 -0.064 0.000 0.970 212 Y CA -0.727 57.331 58.100 -0.070 0.000 1.180 212 Y CB 1.433 39.834 38.460 -0.098 0.000 1.138 212 Y HN 0.600 8.880 8.280 -0.000 0.000 0.510 213 A N 4.134 126.963 122.820 0.014 0.000 2.316 213 A HA 0.624 4.945 4.320 0.001 0.000 0.324 213 A C -0.864 176.717 177.584 -0.006 0.000 1.375 213 A CA -0.648 51.377 52.037 -0.019 0.000 0.882 213 A CB -0.063 18.874 19.000 -0.105 0.000 1.152 213 A HN 0.532 8.682 8.150 -0.000 0.000 0.512 214 V N 2.571 122.496 119.914 0.018 0.000 2.406 214 V HA 0.441 4.561 4.120 0.001 0.000 0.272 214 V C 0.054 176.151 176.094 0.004 0.000 1.043 214 V CA -0.182 62.124 62.300 0.010 0.000 0.915 214 V CB 1.055 32.893 31.823 0.025 0.000 0.988 214 V HN 0.927 9.117 8.190 -0.000 0.000 0.466 215 E N 3.835 124.022 120.200 -0.021 0.000 2.248 215 E HA 0.729 5.079 4.350 0.001 0.000 0.267 215 E C 0.156 176.705 176.600 -0.085 0.000 0.877 215 E CA -0.176 56.208 56.400 -0.026 0.000 0.759 215 E CB 2.079 31.767 29.700 -0.021 0.000 1.182 215 E HN 0.547 8.907 8.360 -0.000 0.000 0.418 216 A N 2.905 125.639 122.820 -0.144 0.000 2.197 216 A HA 0.212 4.533 4.320 0.001 0.000 0.210 216 A C 0.772 178.132 177.584 -0.373 0.000 1.180 216 A CA 0.621 52.422 52.037 -0.393 0.000 0.846 216 A CB -0.179 18.297 19.000 -0.873 0.000 0.884 216 A HN 0.571 8.721 8.150 -0.000 0.000 0.487 217 S N -1.540 114.086 115.700 -0.124 0.000 2.669 217 S HA 0.274 4.744 4.470 0.001 0.000 0.270 217 S C 1.132 175.700 174.600 -0.053 0.000 1.225 217 S CA 0.508 58.706 58.200 -0.004 0.000 0.991 217 S CB 0.527 63.834 63.200 0.177 0.000 0.987 217 S HN 0.194 8.504 8.310 -0.000 0.000 0.552 218 T N 1.448 115.970 114.554 -0.054 0.000 2.736 218 T HA -0.254 4.096 4.350 0.001 0.000 0.265 218 T C 1.610 176.197 174.700 -0.188 0.000 1.031 218 T CA 2.412 64.433 62.100 -0.131 0.000 1.155 218 T CB -0.665 68.118 68.868 -0.141 0.000 0.849 218 T HN 0.608 8.848 8.240 -0.000 0.000 0.471 219 M N 1.124 120.671 119.600 -0.089 0.000 2.260 219 M HA -0.073 4.407 4.480 0.001 0.000 0.261 219 M C 2.252 178.512 176.300 -0.066 0.000 1.066 219 M CA 1.305 56.578 55.300 -0.044 0.000 1.082 219 M CB -0.823 31.812 32.600 0.057 0.000 1.388 219 M HN 0.296 8.586 8.290 -0.000 0.000 0.419 220 A N 0.139 122.911 122.820 -0.080 0.000 1.915 220 A HA -0.370 3.951 4.320 0.001 0.000 0.220 220 A C 2.002 179.537 177.584 -0.081 0.000 1.198 220 A CA 2.576 54.569 52.037 -0.074 0.000 0.647 220 A CB -1.106 17.844 19.000 -0.083 0.000 0.825 220 A HN 0.810 8.960 8.150 -0.000 0.000 0.456 221 Q N -1.548 118.160 119.800 -0.153 0.000 2.083 221 Q HA -0.193 4.147 4.340 0.001 0.000 0.198 221 Q C 1.847 177.810 176.000 -0.062 0.000 0.969 221 Q CA 1.740 57.454 55.803 -0.147 0.000 0.838 221 Q CB -0.696 27.900 28.738 -0.237 0.000 0.900 221 Q HN 0.849 9.119 8.270 -0.000 0.000 0.436 222 H N 0.660 119.720 119.070 -0.017 0.000 2.389 222 H HA 0.061 4.617 4.556 0.001 0.000 0.299 222 H C 2.315 177.651 175.328 0.014 0.000 1.081 222 H CA 0.626 56.669 56.048 -0.008 0.000 1.345 222 H CB 0.062 29.814 29.762 -0.017 0.000 1.393 222 H HN 0.482 8.762 8.280 -0.000 0.000 0.520 223 A N 1.234 124.127 122.820 0.122 0.000 1.883 223 A HA -0.277 4.043 4.320 0.001 0.000 0.217 223 A C 2.201 179.828 177.584 0.072 0.000 1.186 223 A CA 2.047 54.135 52.037 0.086 0.000 0.624 223 A CB -0.399 18.613 19.000 0.019 0.000 0.822 223 A HN 0.440 8.590 8.150 -0.000 0.000 0.444 224 E N 0.048 120.269 120.200 0.034 0.000 2.110 224 E HA -0.112 4.238 4.350 0.001 0.000 0.193 224 E C 1.721 178.353 176.600 0.053 0.000 0.988 224 E CA 1.541 57.954 56.400 0.022 0.000 0.804 224 E CB -0.550 29.147 29.700 -0.005 0.000 0.745 224 E HN 0.233 8.593 8.360 -0.000 0.000 0.458 225 V N 0.960 120.915 119.914 0.068 0.000 2.282 225 V HA -0.293 3.827 4.120 0.001 0.000 0.249 225 V C 2.513 178.656 176.094 0.082 0.000 1.057 225 V CA 1.999 64.341 62.300 0.069 0.000 1.032 225 V CB -0.548 31.323 31.823 0.079 0.000 0.645 225 V HN 0.355 8.545 8.190 -0.000 0.000 0.447 226 L N -0.651 120.648 121.223 0.126 0.000 2.141 226 L HA -0.113 4.227 4.340 0.001 0.000 0.209 226 L C 2.387 179.430 176.870 0.288 0.000 1.094 226 L CA 0.827 55.768 54.840 0.168 0.000 0.763 226 L CB -0.486 41.711 42.059 0.230 0.000 0.908 226 L HN 0.225 8.455 8.230 -0.000 0.000 0.437 227 V N -0.194 119.884 119.914 0.274 0.000 2.427 227 V HA -0.248 3.873 4.120 0.001 0.000 0.248 227 V C 2.448 178.620 176.094 0.130 0.000 1.051 227 V CA 1.580 64.010 62.300 0.217 0.000 1.048 227 V CB -0.458 31.387 31.823 0.036 0.000 0.666 227 V HN 0.418 8.608 8.190 -0.000 0.000 0.456 228 K N 0.908 121.357 120.400 0.082 0.000 2.001 228 K HA -0.120 4.200 4.320 0.001 0.000 0.208 228 K C 2.379 179.004 176.600 0.042 0.000 1.048 228 K CA 1.733 58.048 56.287 0.048 0.000 0.932 228 K CB -0.452 32.066 32.500 0.031 0.000 0.715 228 K HN 0.607 8.857 8.250 -0.000 0.000 0.437 229 S N 1.134 116.857 115.700 0.038 0.000 2.469 229 S HA -0.075 4.395 4.470 0.001 0.000 0.238 229 S C 1.270 175.872 174.600 0.004 0.000 0.998 229 S CA 0.957 59.164 58.200 0.012 0.000 0.957 229 S CB -0.285 62.913 63.200 -0.004 0.000 0.764 229 S HN 0.259 8.569 8.310 -0.000 0.000 0.514 230 N N 1.614 120.332 118.700 0.029 0.000 2.230 230 N HA 0.114 4.854 4.740 0.001 0.000 0.202 230 N C -0.711 174.832 175.510 0.055 0.000 1.119 230 N CA 0.055 53.118 53.050 0.022 0.000 0.851 230 N CB 0.034 38.519 38.487 -0.003 0.000 0.990 230 N HN 0.268 8.648 8.380 -0.000 0.000 0.497 231 N N 0.831 119.561 118.700 0.051 0.000 2.740 231 N HA -0.166 4.575 4.740 0.001 0.000 0.248 231 N C -0.566 174.975 175.510 0.052 0.000 1.062 231 N CA 0.579 53.653 53.050 0.040 0.000 0.704 231 N CB -1.481 37.020 38.487 0.024 0.000 0.968 231 N HN 0.398 8.778 8.380 -0.000 0.000 0.547 232 L N -0.399 120.869 121.223 0.075 0.000 3.096 232 L HA 0.183 4.523 4.340 0.001 0.000 0.272 232 L C 1.493 178.370 176.870 0.012 0.000 1.311 232 L CA -0.060 54.817 54.840 0.062 0.000 0.943 232 L CB 0.910 43.048 42.059 0.132 0.000 1.348 232 L HN 0.077 8.307 8.230 -0.000 0.000 0.562 233 T N -1.719 112.838 114.554 0.004 0.000 3.039 233 T HA -0.076 4.274 4.350 0.001 0.000 0.250 233 T C 1.396 176.077 174.700 -0.031 0.000 1.052 233 T CA 0.596 62.687 62.100 -0.016 0.000 1.125 233 T CB 0.204 69.070 68.868 -0.003 0.000 0.908 233 T HN 0.335 8.575 8.240 -0.000 0.000 0.473 234 D N 1.201 121.590 120.400 -0.019 0.000 3.866 234 D HA -0.212 4.428 4.640 0.001 0.000 0.210 234 D C 1.884 178.154 176.300 -0.049 0.000 1.279 234 D CA 1.834 55.819 54.000 -0.024 0.000 0.868 234 D CB 0.012 40.806 40.800 -0.009 0.000 0.938 234 D HN 0.448 8.818 8.370 -0.000 0.000 0.571 235 R N -2.026 118.435 120.500 -0.065 0.000 2.612 235 R HA 0.375 4.716 4.340 0.001 0.000 0.260 235 R C -0.070 176.135 176.300 -0.158 0.000 0.943 235 R CA -0.135 55.908 56.100 -0.095 0.000 1.036 235 R CB 1.398 31.666 30.300 -0.054 0.000 1.520 235 R HN 0.074 8.344 8.270 -0.000 0.000 0.563 236 I N 1.915 122.390 120.570 -0.158 0.000 2.359 236 I HA 0.256 4.427 4.170 0.001 0.000 0.284 236 I C -0.657 175.340 176.117 -0.200 0.000 1.018 236 I CA -0.813 60.357 61.300 -0.216 0.000 1.173 236 I CB 2.110 39.947 38.000 -0.273 0.000 1.326 236 I HN -0.250 7.960 8.210 -0.000 0.000 0.462 237 V N 7.527 127.293 119.914 -0.247 0.000 2.304 237 V HA 0.193 4.313 4.120 0.001 0.000 0.269 237 V C 0.377 176.404 176.094 -0.112 0.000 1.036 237 V CA -0.676 61.516 62.300 -0.179 0.000 0.840 237 V CB 1.223 32.914 31.823 -0.220 0.000 1.036 237 V HN 0.384 8.574 8.190 -0.000 0.000 0.466 238 V N 7.013 126.874 119.914 -0.088 0.000 2.521 238 V HA 0.238 4.359 4.120 0.001 0.000 0.286 238 V C 0.247 176.323 176.094 -0.031 0.000 1.034 238 V CA 0.300 62.562 62.300 -0.063 0.000 1.045 238 V CB 0.803 32.589 31.823 -0.062 0.000 0.974 238 V HN 0.653 8.843 8.190 -0.000 0.000 0.480 239 I N 7.322 127.881 120.570 -0.018 0.000 2.495 239 I HA 0.325 4.495 4.170 0.001 0.000 0.277 239 I C -2.505 173.596 176.117 -0.027 0.000 1.045 239 I CA -1.888 59.408 61.300 -0.007 0.000 1.135 239 I CB 1.974 39.987 38.000 0.021 0.000 1.241 239 I HN 0.445 8.655 8.210 -0.000 0.000 0.469 240 P HA 0.315 4.735 4.420 -0.000 0.000 0.268 240 P C 0.268 177.527 177.300 -0.068 0.000 1.204 240 P CA 0.427 63.491 63.100 -0.061 0.000 0.768 240 P CB 0.908 32.571 31.700 -0.062 0.000 0.842 241 G N 1.453 110.191 108.800 -0.103 0.000 2.343 241 G HA2 -0.023 3.938 3.960 0.001 0.000 0.465 241 G HA3 -0.023 3.938 3.960 0.001 0.000 0.465 241 G C -1.515 173.308 174.900 -0.128 0.000 1.282 241 G CA -0.991 44.038 45.100 -0.117 0.000 0.996 241 G HN 0.444 8.734 8.290 -0.000 0.000 0.521 242 K N 0.199 120.532 120.400 -0.112 0.000 2.174 242 K HA 0.447 4.768 4.320 0.001 0.000 0.275 242 K C 1.872 178.477 176.600 0.008 0.000 1.015 242 K CA -0.129 56.125 56.287 -0.055 0.000 0.933 242 K CB 2.079 34.558 32.500 -0.036 0.000 1.025 242 K HN 0.823 9.073 8.250 -0.000 0.000 0.463 243 V N 0.112 120.057 119.914 0.052 0.000 2.469 243 V HA -0.278 3.842 4.120 0.001 0.000 0.251 243 V C 1.888 178.076 176.094 0.157 0.000 1.064 243 V CA 1.552 63.927 62.300 0.126 0.000 1.066 243 V CB -0.808 31.129 31.823 0.191 0.000 0.667 243 V HN 0.804 8.994 8.190 -0.000 0.000 0.461 244 E N 1.357 121.536 120.200 -0.035 0.000 2.110 244 E HA -0.261 4.089 4.350 0.001 0.000 0.193 244 E C 1.939 178.577 176.600 0.063 0.000 0.988 244 E CA 1.945 58.255 56.400 -0.150 0.000 0.804 244 E CB -0.362 29.059 29.700 -0.464 0.000 0.745 244 E HN 0.814 9.174 8.360 -0.000 0.000 0.458 245 E N 1.066 121.288 120.200 0.037 0.000 2.276 245 E HA 0.041 4.392 4.350 0.001 0.000 0.193 245 E C 1.297 177.934 176.600 0.061 0.000 0.983 245 E CA 0.344 56.769 56.400 0.041 0.000 0.861 245 E CB 0.546 30.250 29.700 0.006 0.000 0.817 245 E HN 0.177 8.537 8.360 -0.000 0.000 0.485 246 V N 0.277 120.232 119.914 0.068 0.000 3.441 246 V HA 0.241 4.362 4.120 0.001 0.000 0.300 246 V C -0.060 176.096 176.094 0.103 0.000 1.091 246 V CA -0.642 61.689 62.300 0.052 0.000 1.099 246 V CB 1.545 33.372 31.823 0.006 0.000 1.138 246 V HN 0.073 8.262 8.190 -0.000 0.000 0.471 247 S N 2.776 118.503 115.700 0.046 0.000 2.733 247 S HA 0.661 5.132 4.470 0.001 0.000 0.307 247 S C -0.885 173.664 174.600 -0.084 0.000 1.127 247 S CA -0.666 57.572 58.200 0.063 0.000 1.097 247 S CB 0.780 64.019 63.200 0.064 0.000 1.003 247 S HN 0.700 9.010 8.310 -0.000 0.000 0.477 248 L N 4.146 125.189 121.223 -0.301 0.000 2.439 248 L HA 0.407 4.747 4.340 0.001 0.000 0.269 248 L C -1.071 175.616 176.870 -0.305 0.000 1.179 248 L CA -1.459 53.071 54.840 -0.517 0.000 0.828 248 L CB -0.113 41.314 42.059 -1.054 0.000 1.106 248 L HN 0.456 8.686 8.230 -0.000 0.000 0.467 249 P HA 0.068 4.488 4.420 -0.000 0.000 0.249 249 P C -0.233 176.995 177.300 -0.119 0.000 1.229 249 P CA 0.369 63.390 63.100 -0.131 0.000 0.788 249 P CB 0.647 32.320 31.700 -0.045 0.000 1.072 250 E N -0.772 119.299 120.200 -0.216 0.000 2.401 250 E HA 0.203 4.554 4.350 0.001 0.000 0.280 250 E C -1.119 175.416 176.600 -0.109 0.000 1.039 250 E CA -0.625 55.698 56.400 -0.129 0.000 0.814 250 E CB 1.219 30.862 29.700 -0.096 0.000 1.275 250 E HN -0.209 8.151 8.360 -0.000 0.000 0.448 251 Q N 0.831 120.626 119.800 -0.008 0.000 2.230 251 Q HA 0.435 4.776 4.340 0.001 0.000 0.248 251 Q C -0.341 175.677 176.000 0.029 0.000 0.915 251 Q CA -0.622 55.205 55.803 0.040 0.000 0.900 251 Q CB 1.930 30.696 28.738 0.046 0.000 1.229 251 Q HN 0.422 8.692 8.270 -0.000 0.000 0.439 252 V N -1.334 118.609 119.914 0.048 0.000 2.555 252 V HA 0.342 4.462 4.120 0.001 0.000 0.302 252 V C 0.240 176.357 176.094 0.037 0.000 1.038 252 V CA -0.713 61.622 62.300 0.058 0.000 0.887 252 V CB 1.775 33.646 31.823 0.080 0.000 0.991 252 V HN 0.567 8.757 8.190 -0.000 0.000 0.434 253 D N 2.509 122.921 120.400 0.020 0.000 2.310 253 D HA 0.175 4.816 4.640 0.001 0.000 0.212 253 D C 0.331 176.588 176.300 -0.071 0.000 0.965 253 D CA 1.874 55.858 54.000 -0.027 0.000 0.879 253 D CB 0.548 41.321 40.800 -0.045 0.000 0.921 253 D HN 0.729 9.099 8.370 -0.000 0.000 0.510 254 I N -0.418 120.123 120.570 -0.047 0.000 2.752 254 I HA 0.182 4.352 4.170 0.001 0.000 0.290 254 I C -1.813 174.340 176.117 0.060 0.000 1.507 254 I CA -0.621 60.636 61.300 -0.071 0.000 1.038 254 I CB 1.659 39.459 38.000 -0.334 0.000 1.390 254 I HN -0.343 7.867 8.210 -0.000 0.000 0.435 255 I N 7.605 128.253 120.570 0.130 0.000 2.392 255 I HA 0.529 4.699 4.170 0.001 0.000 0.295 255 I C -0.253 176.087 176.117 0.371 0.000 0.985 255 I CA -0.802 60.644 61.300 0.244 0.000 1.221 255 I CB 1.669 39.817 38.000 0.247 0.000 1.366 255 I HN 0.445 8.655 8.210 -0.000 0.000 0.467 256 I N 1.882 122.691 120.570 0.398 0.000 2.740 256 I HA 0.853 5.024 4.170 0.001 0.000 0.303 256 I C -0.532 175.792 176.117 0.344 0.000 1.044 256 I CA -0.326 61.259 61.300 0.476 0.000 1.064 256 I CB 2.227 40.519 38.000 0.488 0.000 1.249 256 I HN 0.569 8.779 8.210 -0.000 0.000 0.433 257 S N 2.124 117.980 115.700 0.259 0.000 2.578 257 S HA 0.270 4.740 4.470 0.001 0.000 0.272 257 S C -1.585 173.061 174.600 0.076 0.000 1.145 257 S CA -0.544 57.669 58.200 0.022 0.000 0.835 257 S CB 1.820 64.839 63.200 -0.301 0.000 1.104 257 S HN 0.829 9.139 8.310 -0.000 0.000 0.458 258 E N 2.874 123.082 120.200 0.014 0.000 2.916 258 E HA 0.352 4.703 4.350 0.001 0.000 0.217 258 E C -2.325 174.312 176.600 0.061 0.000 1.100 258 E CA -1.749 54.703 56.400 0.087 0.000 0.891 258 E CB 1.159 30.828 29.700 -0.051 0.000 1.311 258 E HN 0.409 8.769 8.360 -0.000 0.000 0.421 259 P HA 0.239 4.659 4.420 -0.000 0.000 0.263 259 P C -0.102 177.209 177.300 0.018 0.000 1.448 259 P CA -0.261 62.814 63.100 -0.041 0.000 0.983 259 P CB -0.003 31.588 31.700 -0.181 0.000 1.481 260 M N 0.178 119.833 119.600 0.092 0.000 2.274 260 M HA 0.572 5.053 4.480 0.001 0.000 0.344 260 M C 0.928 177.391 176.300 0.271 0.000 1.161 260 M CA 0.102 55.367 55.300 -0.058 0.000 1.126 260 M CB 1.374 33.723 32.600 -0.418 0.000 1.522 260 M HN -0.075 8.215 8.290 -0.000 0.000 0.461 261 G N 0.328 109.174 108.800 0.077 0.000 2.818 261 G HA2 0.572 4.533 3.960 0.001 0.000 0.286 261 G HA3 0.572 4.533 3.960 0.001 0.000 0.286 261 G C -1.394 173.674 174.900 0.281 0.000 1.364 261 G CA -0.832 44.463 45.100 0.325 0.000 0.938 261 G HN 0.642 8.932 8.290 -0.000 0.000 0.490 262 Y N -0.179 120.417 120.300 0.492 0.000 2.903 262 Y HA -0.043 4.507 4.550 0.001 0.000 0.338 262 Y C 1.733 177.742 175.900 0.181 0.000 1.265 262 Y CA 0.842 59.195 58.100 0.421 0.000 1.532 262 Y CB 0.278 38.956 38.460 0.363 0.000 1.293 262 Y HN 0.598 8.877 8.280 -0.000 0.000 0.609 263 M N 3.007 122.834 119.600 0.378 0.000 2.818 263 M HA -0.389 4.092 4.480 0.001 0.000 0.194 263 M C 0.782 176.992 176.300 -0.149 0.000 0.586 263 M CA 1.036 56.430 55.300 0.156 0.000 0.664 263 M CB -0.700 31.932 32.600 0.054 0.000 2.418 263 M HN 0.848 9.138 8.290 -0.000 0.000 0.517 264 L N -2.508 118.407 121.223 -0.513 0.000 3.530 264 L HA -0.397 3.944 4.340 0.001 0.000 0.357 264 L C 0.721 177.209 176.870 -0.637 0.000 2.051 264 L CA 3.192 57.369 54.840 -1.106 0.000 2.804 264 L CB -1.546 39.787 42.059 -1.210 0.000 1.640 264 L HN 0.541 8.771 8.230 -0.000 0.000 0.757 265 F N -0.244 119.624 119.950 -0.136 0.000 2.664 265 F HA 0.211 4.739 4.527 0.001 0.000 0.296 265 F C 1.452 177.327 175.800 0.125 0.000 1.125 265 F CA 0.209 58.199 58.000 -0.017 0.000 1.444 265 F CB -0.248 38.663 39.000 -0.148 0.000 1.114 265 F HN 0.273 8.573 8.300 -0.000 0.000 0.576 266 N N 1.509 120.364 118.700 0.258 0.000 2.283 266 N HA -0.126 4.615 4.740 0.001 0.000 0.236 266 N C 0.637 176.267 175.510 0.200 0.000 1.252 266 N CA 1.042 54.245 53.050 0.255 0.000 0.856 266 N CB 0.321 38.952 38.487 0.239 0.000 1.099 266 N HN 0.395 8.775 8.380 -0.000 0.000 0.444 267 E N 0.294 120.586 120.200 0.153 0.000 4.278 267 E HA -0.344 4.007 4.350 0.001 0.000 0.339 267 E C -0.200 176.364 176.600 -0.060 0.000 0.624 267 E CA 1.077 57.521 56.400 0.073 0.000 1.405 267 E CB -0.785 29.059 29.700 0.240 0.000 1.797 267 E HN 0.779 9.139 8.360 -0.000 0.000 0.400 268 R N -1.057 119.486 120.500 0.072 0.000 3.770 268 R HA -0.224 4.117 4.340 0.001 0.000 0.305 268 R C 1.052 177.361 176.300 0.015 0.000 1.184 268 R CA 1.194 57.331 56.100 0.062 0.000 0.823 268 R CB -1.943 28.305 30.300 -0.086 0.000 1.285 268 R HN 0.465 8.735 8.270 -0.000 0.000 0.499 269 M N 0.352 119.968 119.600 0.026 0.000 2.659 269 M HA 0.022 4.502 4.480 0.001 0.000 0.243 269 M C 1.420 177.774 176.300 0.091 0.000 1.111 269 M CA 1.086 56.404 55.300 0.031 0.000 1.070 269 M CB 0.193 32.825 32.600 0.055 0.000 1.525 269 M HN 0.353 8.643 8.290 -0.000 0.000 0.517 270 L N -0.099 121.196 121.223 0.121 0.000 2.217 270 L HA -0.141 4.200 4.340 0.001 0.000 0.211 270 L C 1.944 178.903 176.870 0.148 0.000 1.107 270 L CA 0.962 55.887 54.840 0.142 0.000 0.783 270 L CB -0.415 41.762 42.059 0.197 0.000 0.919 270 L HN 0.354 8.584 8.230 -0.000 0.000 0.442 271 E N -0.224 120.055 120.200 0.131 0.000 2.051 271 E HA -0.168 4.183 4.350 0.001 0.000 0.192 271 E C 2.298 178.974 176.600 0.127 0.000 0.991 271 E CA 1.550 58.015 56.400 0.108 0.000 0.799 271 E CB -0.033 29.725 29.700 0.097 0.000 0.748 271 E HN 0.374 8.734 8.360 -0.000 0.000 0.449 272 S N 0.598 116.364 115.700 0.111 0.000 2.359 272 S HA -0.227 4.244 4.470 0.001 0.000 0.224 272 S C 1.793 176.518 174.600 0.208 0.000 1.035 272 S CA 1.236 59.511 58.200 0.126 0.000 1.018 272 S CB -0.597 62.664 63.200 0.102 0.000 0.876 272 S HN 0.386 8.696 8.310 -0.000 0.000 0.448 273 Y N 2.040 122.365 120.300 0.041 0.000 2.114 273 Y HA -0.222 4.329 4.550 0.001 0.000 0.282 273 Y C 2.001 177.914 175.900 0.022 0.000 1.165 273 Y CA 1.398 59.503 58.100 0.007 0.000 1.148 273 Y CB -0.227 38.167 38.460 -0.110 0.000 0.972 273 Y HN 0.143 8.423 8.280 -0.000 0.000 0.504 274 L N -0.860 120.302 121.223 -0.101 0.000 2.109 274 L HA -0.223 4.117 4.340 0.001 0.000 0.207 274 L C 2.626 179.468 176.870 -0.047 0.000 1.086 274 L CA 1.111 55.853 54.840 -0.163 0.000 0.760 274 L CB -0.911 41.112 42.059 -0.060 0.000 0.910 274 L HN 0.395 8.625 8.230 -0.000 0.000 0.437 275 H N 1.066 120.114 119.070 -0.036 0.000 2.353 275 H HA -0.207 4.349 4.556 0.001 0.000 0.298 275 H C 1.968 177.285 175.328 -0.018 0.000 1.103 275 H CA 1.747 57.785 56.048 -0.015 0.000 1.293 275 H CB 0.316 30.093 29.762 0.026 0.000 1.372 275 H HN 0.335 8.615 8.280 -0.000 0.000 0.501 276 A N 1.079 124.001 122.820 0.170 0.000 2.248 276 A HA -0.068 4.253 4.320 0.001 0.000 0.210 276 A C 2.299 179.925 177.584 0.070 0.000 1.174 276 A CA 0.545 52.701 52.037 0.198 0.000 0.750 276 A CB -0.381 18.773 19.000 0.257 0.000 0.780 276 A HN 0.387 8.537 8.150 -0.000 0.000 0.478 277 K N 0.482 120.846 120.400 -0.060 0.000 2.280 277 K HA -0.168 4.153 4.320 0.001 0.000 0.202 277 K C 1.903 178.437 176.600 -0.109 0.000 1.047 277 K CA 1.363 57.600 56.287 -0.083 0.000 0.942 277 K CB -0.102 32.330 32.500 -0.114 0.000 0.739 277 K HN 0.789 9.039 8.250 -0.000 0.000 0.457 278 K N -0.090 120.180 120.400 -0.215 0.000 2.281 278 K HA -0.183 4.138 4.320 0.001 0.000 0.203 278 K C 0.870 177.258 176.600 -0.353 0.000 1.046 278 K CA 1.500 57.585 56.287 -0.337 0.000 0.938 278 K CB -0.174 32.020 32.500 -0.511 0.000 0.737 278 K HN 0.250 8.500 8.250 -0.000 0.000 0.458 279 Y N 0.597 120.862 120.300 -0.059 0.000 2.457 279 Y HA 0.196 4.747 4.550 0.001 0.000 0.263 279 Y C 0.553 176.427 175.900 -0.043 0.000 1.164 279 Y CA -0.984 57.083 58.100 -0.054 0.000 1.274 279 Y CB 0.570 38.997 38.460 -0.055 0.000 1.097 279 Y HN -0.012 8.268 8.280 -0.000 0.000 0.523 280 L N 2.425 123.690 121.223 0.071 0.000 2.367 280 L HA 0.153 4.494 4.340 0.001 0.000 0.275 280 L C 0.247 177.124 176.870 0.012 0.000 1.129 280 L CA -0.078 54.785 54.840 0.038 0.000 0.839 280 L CB 0.402 42.466 42.059 0.007 0.000 1.133 280 L HN 0.156 8.386 8.230 -0.000 0.000 0.453 281 K N 4.865 125.273 120.400 0.014 0.000 2.132 281 K HA 0.309 4.629 4.320 0.001 0.000 0.240 281 K C -2.171 174.424 176.600 -0.008 0.000 1.036 281 K CA -1.457 54.831 56.287 0.002 0.000 0.888 281 K CB -0.206 32.296 32.500 0.004 0.000 1.071 281 K HN 0.443 8.693 8.250 -0.000 0.000 0.502 282 P HA 0.084 4.504 4.420 -0.000 0.000 0.275 282 P C -0.575 176.718 177.300 -0.011 0.000 1.227 282 P CA 0.040 63.132 63.100 -0.012 0.000 0.781 282 P CB 0.893 32.585 31.700 -0.012 0.000 0.906 283 S N -0.243 115.451 115.700 -0.011 0.000 3.382 283 S HA -0.133 4.338 4.470 0.001 0.000 0.293 283 S C 0.824 175.413 174.600 -0.018 0.000 1.262 283 S CA 0.998 59.191 58.200 -0.012 0.000 0.969 283 S CB -1.889 61.303 63.200 -0.012 0.000 1.136 283 S HN 0.953 9.263 8.310 -0.000 0.000 0.635 284 G N 1.142 109.933 108.800 -0.015 0.000 2.353 284 G HA2 0.513 4.474 3.960 0.001 0.000 0.284 284 G HA3 0.513 4.474 3.960 0.001 0.000 0.284 284 G C -0.163 174.730 174.900 -0.011 0.000 1.172 284 G CA -0.220 44.867 45.100 -0.021 0.000 0.854 284 G HN 0.250 8.540 8.290 -0.000 0.000 0.485 285 N N 0.914 119.593 118.700 -0.034 0.000 2.434 285 N HA 0.554 5.294 4.740 0.001 0.000 0.266 285 N C -0.143 175.411 175.510 0.073 0.000 1.223 285 N CA -0.266 52.791 53.050 0.011 0.000 0.972 285 N CB 0.917 39.379 38.487 -0.041 0.000 1.207 285 N HN 0.334 8.714 8.380 -0.000 0.000 0.525 286 M N 1.194 120.930 119.600 0.228 0.000 2.446 286 M HA 0.368 4.848 4.480 0.001 0.000 0.294 286 M C -1.433 175.303 176.300 0.728 0.000 1.158 286 M CA -0.460 55.063 55.300 0.372 0.000 0.899 286 M CB 2.281 35.042 32.600 0.270 0.000 1.687 286 M HN 0.371 8.661 8.290 -0.000 0.000 0.455 287 F N 3.266 123.436 119.950 0.367 0.000 2.610 287 F HA 0.411 4.939 4.527 0.001 0.000 0.355 287 F C -2.207 173.775 175.800 0.303 0.000 1.140 287 F CA -1.878 56.360 58.000 0.397 0.000 1.037 287 F CB 1.871 41.229 39.000 0.595 0.000 1.287 287 F HN 0.232 8.532 8.300 -0.000 0.000 0.457 288 P HA 0.205 4.625 4.420 -0.000 0.000 0.274 288 P C 0.232 177.616 177.300 0.140 0.000 1.256 288 P CA -0.173 62.656 63.100 -0.451 0.000 0.795 288 P CB 1.237 32.627 31.700 -0.518 0.000 1.038 289 T N -0.164 114.338 114.554 -0.086 0.000 2.866 289 T HA 0.147 4.498 4.350 0.001 0.000 0.250 289 T C 1.077 175.755 174.700 -0.038 0.000 1.033 289 T CA 1.097 63.236 62.100 0.065 0.000 1.145 289 T CB -0.468 68.368 68.868 -0.054 0.000 0.866 289 T HN 0.511 8.751 8.240 -0.000 0.000 0.434 290 I N -1.722 118.655 120.570 -0.321 0.000 3.206 290 I HA 0.850 5.020 4.170 0.001 0.000 0.313 290 I C -0.427 175.332 176.117 -0.597 0.000 1.103 290 I CA -1.347 59.595 61.300 -0.596 0.000 0.985 290 I CB 1.964 39.754 38.000 -0.351 0.000 1.240 290 I HN 0.089 8.299 8.210 -0.000 0.000 0.464 291 G N 1.072 109.524 108.800 -0.579 0.000 2.719 291 G HA2 0.488 4.448 3.960 0.001 0.000 0.284 291 G HA3 0.488 4.448 3.960 0.001 0.000 0.284 291 G C -1.865 173.017 174.900 -0.030 0.000 1.488 291 G CA -0.508 44.467 45.100 -0.208 0.000 1.139 291 G HN 0.557 8.847 8.290 -0.000 0.000 0.552 292 D N 1.523 122.021 120.400 0.163 0.000 2.249 292 D HA 0.360 5.001 4.640 0.001 0.000 0.246 292 D C 0.275 176.730 176.300 0.257 0.000 1.114 292 D CA -0.017 54.111 54.000 0.215 0.000 0.854 292 D CB 2.424 43.435 40.800 0.352 0.000 1.132 292 D HN 0.140 8.510 8.370 -0.000 0.000 0.461 293 V N 3.234 123.261 119.914 0.187 0.000 2.407 293 V HA 0.211 4.332 4.120 0.001 0.000 0.278 293 V C -0.120 175.983 176.094 0.015 0.000 1.037 293 V CA -0.597 61.805 62.300 0.170 0.000 0.900 293 V CB 0.950 32.870 31.823 0.161 0.000 0.983 293 V HN 0.456 8.646 8.190 -0.000 0.000 0.459 294 H N 4.615 123.535 119.070 -0.251 0.000 2.472 294 H HA 0.822 5.378 4.556 0.001 0.000 0.338 294 H C -0.255 174.671 175.328 -0.671 0.000 1.133 294 H CA -0.466 55.228 56.048 -0.590 0.000 1.216 294 H CB 1.590 30.602 29.762 -1.251 0.000 1.497 294 H HN 0.697 8.977 8.280 -0.000 0.000 0.500 295 L N 0.145 121.126 121.223 -0.403 0.000 2.424 295 L HA 1.027 5.367 4.340 0.001 0.000 0.258 295 L C -1.161 175.571 176.870 -0.230 0.000 0.995 295 L CA -1.262 53.296 54.840 -0.471 0.000 0.821 295 L CB 2.260 44.057 42.059 -0.436 0.000 1.383 295 L HN 0.687 8.917 8.230 -0.000 0.000 0.410 296 A N 1.693 124.268 122.820 -0.409 0.000 2.594 296 A HA 0.887 5.207 4.320 0.001 0.000 0.296 296 A C -3.100 174.108 177.584 -0.627 0.000 1.061 296 A CA -1.153 50.581 52.037 -0.505 0.000 0.689 296 A CB 1.837 20.813 19.000 -0.040 0.000 1.280 296 A HN 0.526 8.676 8.150 -0.000 0.000 0.406 297 P HA 0.550 4.970 4.420 -0.000 0.000 0.275 297 P C -0.931 176.198 177.300 -0.285 0.000 1.228 297 P CA 0.136 62.875 63.100 -0.600 0.000 0.786 297 P CB 0.432 31.758 31.700 -0.623 0.000 0.927 298 F N -1.403 118.349 119.950 -0.330 0.000 2.603 298 F HA 0.741 5.269 4.527 0.001 0.000 0.317 298 F C -0.883 174.830 175.800 -0.145 0.000 1.066 298 F CA -1.067 56.775 58.000 -0.263 0.000 0.941 298 F CB 1.633 40.405 39.000 -0.379 0.000 1.291 298 F HN 0.161 8.461 8.300 -0.000 0.000 0.472 299 T N 1.684 116.304 114.554 0.110 0.000 2.786 299 T HA 0.402 4.753 4.350 0.001 0.000 0.283 299 T C -1.823 173.065 174.700 0.314 0.000 0.992 299 T CA -0.219 61.992 62.100 0.186 0.000 0.954 299 T CB 0.441 69.360 68.868 0.085 0.000 0.934 299 T HN 0.787 9.027 8.240 -0.000 0.000 0.440 300 D N 3.422 124.036 120.400 0.357 0.000 2.584 300 D HA 0.097 4.738 4.640 0.001 0.000 0.238 300 D C 1.028 177.248 176.300 -0.134 0.000 1.302 300 D CA -0.373 53.714 54.000 0.144 0.000 0.884 300 D CB 0.867 41.777 40.800 0.183 0.000 1.456 300 D HN 0.753 9.123 8.370 -0.000 0.000 0.528 301 E N 1.352 121.450 120.200 -0.169 0.000 2.110 301 E HA -0.284 4.066 4.350 0.001 0.000 0.193 301 E C 1.254 177.830 176.600 -0.041 0.000 0.988 301 E CA 0.781 57.037 56.400 -0.240 0.000 0.804 301 E CB 0.151 29.859 29.700 0.012 0.000 0.745 301 E HN 0.206 8.566 8.360 -0.000 0.000 0.458 302 Q N 1.401 121.205 119.800 0.006 0.000 2.045 302 Q HA -0.166 4.174 4.340 0.001 0.000 0.206 302 Q C 2.238 178.267 176.000 0.048 0.000 0.991 302 Q CA 1.783 57.606 55.803 0.034 0.000 0.851 302 Q CB -0.694 28.066 28.738 0.037 0.000 0.911 302 Q HN 0.507 8.777 8.270 -0.000 0.000 0.418 303 L N -0.645 120.611 121.223 0.056 0.000 2.013 303 L HA -0.265 4.075 4.340 0.001 0.000 0.212 303 L C 2.314 179.254 176.870 0.116 0.000 1.073 303 L CA 2.207 57.105 54.840 0.096 0.000 0.753 303 L CB -0.535 41.598 42.059 0.123 0.000 0.890 303 L HN 0.460 8.690 8.230 -0.000 0.000 0.432 304 Y N -0.530 119.750 120.300 -0.034 0.000 2.181 304 Y HA -0.302 4.248 4.550 0.001 0.000 0.288 304 Y C 2.600 178.581 175.900 0.136 0.000 1.146 304 Y CA 1.601 59.729 58.100 0.047 0.000 1.164 304 Y CB 0.077 38.466 38.460 -0.118 0.000 0.982 304 Y HN 0.129 8.409 8.280 -0.000 0.000 0.515 305 M N 0.277 119.886 119.600 0.015 0.000 2.099 305 M HA -0.189 4.291 4.480 0.001 0.000 0.262 305 M C 2.198 178.505 176.300 0.011 0.000 1.067 305 M CA 1.702 57.001 55.300 -0.002 0.000 1.124 305 M CB -1.271 31.360 32.600 0.051 0.000 1.353 305 M HN 0.404 8.694 8.290 -0.000 0.000 0.410 306 E N 0.068 120.271 120.200 0.005 0.000 2.086 306 E HA -0.260 4.091 4.350 0.001 0.000 0.200 306 E C 2.053 178.577 176.600 -0.125 0.000 1.012 306 E CA 1.504 57.892 56.400 -0.020 0.000 0.812 306 E CB 0.174 29.899 29.700 0.042 0.000 0.743 306 E HN 0.412 8.772 8.360 -0.000 0.000 0.453 307 Q N -0.565 119.133 119.800 -0.170 0.000 2.123 307 Q HA -0.123 4.218 4.340 0.001 0.000 0.199 307 Q C 2.008 177.796 176.000 -0.354 0.000 0.966 307 Q CA 0.958 56.528 55.803 -0.388 0.000 0.845 307 Q CB -0.393 28.019 28.738 -0.544 0.000 0.907 307 Q HN 0.355 8.625 8.270 -0.000 0.000 0.439 308 F N 1.265 121.050 119.950 -0.274 0.000 2.146 308 F HA -0.199 4.329 4.527 0.001 0.000 0.298 308 F C 2.530 178.260 175.800 -0.116 0.000 1.096 308 F CA 1.856 59.809 58.000 -0.078 0.000 1.275 308 F CB -0.296 38.547 39.000 -0.261 0.000 1.008 308 F HN 0.050 8.350 8.300 -0.000 0.000 0.480 309 T N -0.363 114.188 114.554 -0.006 0.000 2.915 309 T HA -0.145 4.205 4.350 0.001 0.000 0.269 309 T C 1.984 176.582 174.700 -0.170 0.000 1.071 309 T CA 1.533 63.602 62.100 -0.052 0.000 1.132 309 T CB -0.251 68.629 68.868 0.021 0.000 0.878 309 T HN 0.303 8.543 8.240 -0.000 0.000 0.479 310 K N 0.671 120.879 120.400 -0.319 0.000 2.002 310 K HA 0.070 4.390 4.320 0.001 0.000 0.209 310 K C 2.681 179.017 176.600 -0.439 0.000 1.048 310 K CA 1.253 57.258 56.287 -0.470 0.000 0.930 310 K CB -0.414 31.574 32.500 -0.853 0.000 0.714 310 K HN 0.346 8.596 8.250 -0.000 0.000 0.438 311 A N 1.764 124.226 122.820 -0.596 0.000 1.940 311 A HA -0.204 4.116 4.320 0.001 0.000 0.219 311 A C 1.695 179.296 177.584 0.027 0.000 1.176 311 A CA 1.828 53.803 52.037 -0.104 0.000 0.631 311 A CB -0.632 18.355 19.000 -0.021 0.000 0.814 311 A HN 0.277 8.427 8.150 -0.000 0.000 0.446 312 N N -1.368 117.214 118.700 -0.198 0.000 2.609 312 N HA -0.029 4.712 4.740 0.001 0.000 0.190 312 N C 0.943 176.416 175.510 -0.063 0.000 1.157 312 N CA 0.484 53.439 53.050 -0.159 0.000 0.918 312 N CB -0.568 37.787 38.487 -0.220 0.000 0.978 312 N HN 0.581 8.961 8.380 -0.000 0.000 0.448 313 F N -0.863 118.988 119.950 -0.165 0.000 2.216 313 F HA -0.079 4.448 4.527 0.001 0.000 0.300 313 F C 0.757 176.318 175.800 -0.397 0.000 1.085 313 F CA 1.097 58.907 58.000 -0.318 0.000 1.326 313 F CB -0.083 38.647 39.000 -0.449 0.000 1.027 313 F HN 0.088 8.388 8.300 -0.000 0.000 0.497 314 W N -1.624 119.632 121.300 -0.073 0.000 3.438 314 W HA 0.154 4.814 4.660 0.001 0.000 0.322 314 W C 1.256 177.688 176.519 -0.145 0.000 1.261 314 W CA 0.650 57.925 57.345 -0.118 0.000 1.788 314 W CB -1.272 28.223 29.460 0.059 0.000 1.065 314 W HN 0.083 8.263 8.180 -0.000 0.000 0.715 315 Y N 0.297 120.572 120.300 -0.042 0.000 2.720 315 Y HA 0.378 4.928 4.550 0.001 0.000 0.277 315 Y C 0.598 176.445 175.900 -0.088 0.000 1.144 315 Y CA -0.794 57.284 58.100 -0.036 0.000 1.221 315 Y CB -0.896 37.547 38.460 -0.029 0.000 1.163 315 Y HN 0.004 8.284 8.280 -0.000 0.000 0.537 316 Q N 1.194 120.885 119.800 -0.181 0.000 2.267 316 Q HA 0.181 4.521 4.340 0.001 0.000 0.255 316 Q C -1.798 174.150 176.000 -0.086 0.000 0.923 316 Q CA -1.922 53.778 55.803 -0.172 0.000 0.925 316 Q CB 1.998 30.552 28.738 -0.306 0.000 1.195 316 Q HN 0.302 8.572 8.270 -0.000 0.000 0.417 317 P HA -0.111 4.309 4.420 -0.000 0.000 0.218 317 P C -0.162 177.134 177.300 -0.007 0.000 1.152 317 P CA 0.881 63.970 63.100 -0.019 0.000 0.826 317 P CB 0.434 32.125 31.700 -0.015 0.000 0.790 318 S N -1.304 114.391 115.700 -0.009 0.000 2.706 318 S HA 0.448 4.918 4.470 0.001 0.000 0.270 318 S C -1.258 173.362 174.600 0.033 0.000 1.163 318 S CA -0.789 57.419 58.200 0.014 0.000 1.042 318 S CB -0.223 62.976 63.200 -0.003 0.000 1.079 318 S HN -0.073 8.237 8.310 -0.000 0.000 0.474 319 F N 4.489 124.379 119.950 -0.099 0.000 2.385 319 F HA 0.509 5.036 4.527 0.001 0.000 0.360 319 F C 0.503 176.344 175.800 0.069 0.000 1.122 319 F CA -0.196 57.753 58.000 -0.086 0.000 1.090 319 F CB 0.118 39.018 39.000 -0.167 0.000 1.150 319 F HN 0.950 9.250 8.300 -0.000 0.000 0.472 320 H N 3.595 122.362 119.070 -0.505 0.000 2.445 320 H HA -0.127 4.430 4.556 0.001 0.000 0.322 320 H C 1.276 176.512 175.328 -0.154 0.000 1.053 320 H CA 0.963 56.802 56.048 -0.347 0.000 1.109 320 H CB -1.283 28.221 29.762 -0.430 0.000 1.546 320 H HN 1.163 9.443 8.280 -0.000 0.000 0.397 321 G N -1.327 107.451 108.800 -0.035 0.000 2.198 321 G HA2 -0.184 3.777 3.960 0.001 0.000 0.260 321 G HA3 -0.184 3.777 3.960 0.001 0.000 0.260 321 G C -0.091 174.830 174.900 0.034 0.000 1.025 321 G CA 0.191 45.290 45.100 -0.001 0.000 0.769 321 G HN 0.651 8.941 8.290 -0.000 0.000 0.507 322 V N 0.261 120.217 119.914 0.070 0.000 2.525 322 V HA 0.438 4.559 4.120 0.001 0.000 0.299 322 V C -0.290 175.859 176.094 0.092 0.000 1.034 322 V CA -1.139 61.219 62.300 0.098 0.000 0.863 322 V CB 1.939 33.851 31.823 0.150 0.000 0.999 322 V HN 0.327 8.517 8.190 -0.000 0.000 0.423 323 D N 4.000 124.437 120.400 0.061 0.000 2.371 323 D HA 0.256 4.897 4.640 0.001 0.000 0.256 323 D C 0.596 176.930 176.300 0.057 0.000 1.193 323 D CA 0.181 54.206 54.000 0.042 0.000 0.881 323 D CB 1.398 42.219 40.800 0.034 0.000 1.143 323 D HN 0.495 8.865 8.370 -0.000 0.000 0.473 324 L N 2.793 124.032 121.223 0.026 0.000 2.664 324 L HA 0.017 4.358 4.340 0.001 0.000 0.233 324 L C 2.302 179.243 176.870 0.118 0.000 1.113 324 L CA -0.004 54.887 54.840 0.085 0.000 0.896 324 L CB -0.128 41.909 42.059 -0.037 0.000 1.163 324 L HN 0.361 8.591 8.230 -0.000 0.000 0.497 325 S N 1.149 116.881 115.700 0.053 0.000 2.420 325 S HA -0.242 4.228 4.470 0.001 0.000 0.237 325 S C 2.140 176.778 174.600 0.064 0.000 1.023 325 S CA 1.092 59.322 58.200 0.050 0.000 0.991 325 S CB -0.301 62.913 63.200 0.024 0.000 0.792 325 S HN 0.379 8.689 8.310 -0.000 0.000 0.488 326 A N 1.528 124.388 122.820 0.066 0.000 2.024 326 A HA 0.166 4.487 4.320 0.001 0.000 0.220 326 A C 2.134 179.746 177.584 0.048 0.000 1.164 326 A CA 1.345 53.413 52.037 0.052 0.000 0.643 326 A CB -0.623 18.406 19.000 0.049 0.000 0.806 326 A HN 0.618 8.768 8.150 -0.000 0.000 0.451 327 L N -1.670 119.601 121.223 0.079 0.000 2.607 327 L HA 0.073 4.413 4.340 0.001 0.000 0.228 327 L C 2.907 179.804 176.870 0.045 0.000 1.123 327 L CA 0.283 55.139 54.840 0.027 0.000 0.890 327 L CB -0.457 41.592 42.059 -0.016 0.000 1.103 327 L HN 0.485 8.715 8.230 -0.000 0.000 0.468 328 R N 1.039 121.597 120.500 0.098 0.000 2.112 328 R HA -0.177 4.164 4.340 0.001 0.000 0.242 328 R C 2.177 178.499 176.300 0.038 0.000 1.137 328 R CA 2.059 58.213 56.100 0.090 0.000 0.944 328 R CB -2.125 28.208 30.300 0.055 0.000 0.857 328 R HN 0.472 8.742 8.270 -0.000 0.000 0.435 329 G N 0.113 108.925 108.800 0.020 0.000 2.586 329 G HA2 -0.088 3.872 3.960 0.001 0.000 0.218 329 G HA3 -0.088 3.872 3.960 0.001 0.000 0.218 329 G C 2.057 176.954 174.900 -0.006 0.000 1.216 329 G CA 2.275 47.379 45.100 0.008 0.000 0.786 329 G HN 1.098 9.388 8.290 -0.000 0.000 0.583 330 A N 0.850 123.645 122.820 -0.041 0.000 2.024 330 A HA 0.207 4.527 4.320 0.001 0.000 0.220 330 A C 2.786 180.306 177.584 -0.108 0.000 1.164 330 A CA 2.411 54.399 52.037 -0.082 0.000 0.643 330 A CB -0.692 18.229 19.000 -0.132 0.000 0.806 330 A HN 0.933 9.083 8.150 -0.000 0.000 0.451 331 A N -0.514 122.238 122.820 -0.113 0.000 1.855 331 A HA 0.002 4.322 4.320 0.001 0.000 0.215 331 A C 2.219 179.934 177.584 0.217 0.000 1.191 331 A CA 1.732 53.745 52.037 -0.040 0.000 0.613 331 A CB -1.054 17.976 19.000 0.050 0.000 0.829 331 A HN 0.404 8.554 8.150 -0.000 0.000 0.442 332 V N 0.819 120.841 119.914 0.180 0.000 2.282 332 V HA -0.338 3.782 4.120 0.001 0.000 0.249 332 V C 2.211 178.498 176.094 0.321 0.000 1.057 332 V CA 2.602 65.057 62.300 0.258 0.000 1.032 332 V CB -1.159 30.667 31.823 0.005 0.000 0.645 332 V HN 0.572 8.762 8.190 -0.000 0.000 0.447 333 D N -0.344 120.144 120.400 0.147 0.000 2.127 333 D HA -0.239 4.401 4.640 0.001 0.000 0.190 333 D C 2.207 178.605 176.300 0.162 0.000 1.000 333 D CA 1.932 56.011 54.000 0.131 0.000 0.839 333 D CB -0.238 40.591 40.800 0.048 0.000 0.955 333 D HN 0.587 8.957 8.370 -0.000 0.000 0.446 334 E N -0.832 119.409 120.200 0.068 0.000 2.023 334 E HA -0.211 4.139 4.350 0.001 0.000 0.196 334 E C 2.142 178.736 176.600 -0.010 0.000 1.003 334 E CA 0.971 57.344 56.400 -0.044 0.000 0.809 334 E CB -0.187 29.375 29.700 -0.230 0.000 0.755 334 E HN 0.421 8.781 8.360 -0.000 0.000 0.449 335 Y N -0.830 119.513 120.300 0.071 0.000 2.165 335 Y HA -0.196 4.355 4.550 0.001 0.000 0.286 335 Y C 1.982 177.847 175.900 -0.059 0.000 1.155 335 Y CA 1.166 59.244 58.100 -0.038 0.000 1.164 335 Y CB -0.131 38.256 38.460 -0.122 0.000 0.978 335 Y HN 0.114 8.394 8.280 -0.000 0.000 0.513 336 F N -0.717 119.368 119.950 0.226 0.000 2.802 336 F HA 0.022 4.549 4.527 0.001 0.000 0.300 336 F C 1.847 177.757 175.800 0.183 0.000 1.168 336 F CA 0.538 58.671 58.000 0.221 0.000 1.433 336 F CB -0.303 38.846 39.000 0.249 0.000 1.115 336 F HN -0.114 8.186 8.300 -0.000 0.000 0.582 337 R N -0.170 120.484 120.500 0.256 0.000 2.236 337 R HA 0.012 4.353 4.340 0.001 0.000 0.208 337 R C 0.562 176.938 176.300 0.127 0.000 1.036 337 R CA 0.270 56.472 56.100 0.170 0.000 1.001 337 R CB -0.123 30.240 30.300 0.105 0.000 0.896 337 R HN 0.314 8.584 8.270 -0.000 0.000 0.464 338 Q N 1.730 121.594 119.800 0.106 0.000 2.296 338 Q HA 0.139 4.479 4.340 0.001 0.000 0.262 338 Q C -2.307 173.758 176.000 0.109 0.000 0.981 338 Q CA -1.925 53.928 55.803 0.082 0.000 0.905 338 Q CB 1.006 29.787 28.738 0.072 0.000 1.186 338 Q HN -0.034 8.236 8.270 -0.000 0.000 0.399 339 P HA 0.086 4.506 4.420 -0.000 0.000 0.287 339 P C -0.791 176.520 177.300 0.018 0.000 1.281 339 P CA -0.347 62.801 63.100 0.079 0.000 0.781 339 P CB 0.825 32.563 31.700 0.064 0.000 0.903 340 V N 4.814 124.755 119.914 0.045 0.000 2.439 340 V HA 0.075 4.196 4.120 0.001 0.000 0.271 340 V C 0.526 176.529 176.094 -0.152 0.000 1.040 340 V CA -0.164 62.098 62.300 -0.064 0.000 1.002 340 V CB 0.782 32.601 31.823 -0.007 0.000 1.000 340 V HN 0.262 8.452 8.190 -0.000 0.000 0.477 341 V N 6.407 126.140 119.914 -0.302 0.000 2.328 341 V HA 0.631 4.751 4.120 0.001 0.000 0.278 341 V C -0.178 175.814 176.094 -0.171 0.000 1.021 341 V CA -0.255 61.889 62.300 -0.260 0.000 0.838 341 V CB 1.037 32.596 31.823 -0.441 0.000 0.999 341 V HN 1.137 9.327 8.190 -0.000 0.000 0.447 342 D N 2.367 122.703 120.400 -0.107 0.000 2.879 342 D HA 0.228 4.868 4.640 0.001 0.000 0.346 342 D C -0.494 175.816 176.300 0.016 0.000 1.390 342 D CA -0.407 53.545 54.000 -0.080 0.000 0.838 342 D CB 1.763 42.528 40.800 -0.058 0.000 1.416 342 D HN 0.335 8.705 8.370 -0.000 0.000 0.493 343 T N -1.477 113.095 114.554 0.030 0.000 2.893 343 T HA 0.836 5.186 4.350 0.001 0.000 0.279 343 T C -1.060 173.582 174.700 -0.097 0.000 0.991 343 T CA -0.573 61.429 62.100 -0.164 0.000 0.950 343 T CB 0.281 69.057 68.868 -0.153 0.000 1.223 343 T HN 0.477 8.717 8.240 -0.000 0.000 0.585 344 F N -0.626 119.278 119.950 -0.077 0.000 2.719 344 F HA 0.491 5.018 4.527 0.001 0.000 0.309 344 F C -1.064 174.680 175.800 -0.093 0.000 1.138 344 F CA -1.492 56.453 58.000 -0.091 0.000 0.943 344 F CB 0.617 39.537 39.000 -0.133 0.000 1.304 344 F HN 0.345 8.645 8.300 -0.000 0.000 0.445 345 D N 3.142 123.676 120.400 0.223 0.000 2.417 345 D HA 0.061 4.702 4.640 0.001 0.000 0.250 345 D C 1.568 177.999 176.300 0.218 0.000 1.166 345 D CA -0.120 53.959 54.000 0.132 0.000 0.881 345 D CB 1.179 42.020 40.800 0.069 0.000 1.164 345 D HN 0.721 9.091 8.370 -0.000 0.000 0.467 346 I N 2.480 123.126 120.570 0.126 0.000 2.800 346 I HA -0.248 3.923 4.170 0.001 0.000 0.266 346 I C 1.959 178.121 176.117 0.075 0.000 1.249 346 I CA 1.179 62.552 61.300 0.121 0.000 1.458 346 I CB -1.378 36.626 38.000 0.006 0.000 1.093 346 I HN 0.334 8.544 8.210 -0.000 0.000 0.466 347 R N 2.829 123.355 120.500 0.043 0.000 2.127 347 R HA -0.102 4.239 4.340 0.001 0.000 0.238 347 R C 2.262 178.551 176.300 -0.018 0.000 1.134 347 R CA 2.054 58.155 56.100 0.001 0.000 0.975 347 R CB -1.882 28.412 30.300 -0.011 0.000 0.865 347 R HN 0.877 9.147 8.270 -0.000 0.000 0.447 348 I N -1.908 118.659 120.570 -0.005 0.000 3.001 348 I HA 0.168 4.338 4.170 0.001 0.000 0.268 348 I C 0.552 176.654 176.117 -0.025 0.000 1.267 348 I CA 0.187 61.468 61.300 -0.032 0.000 1.472 348 I CB -0.106 37.843 38.000 -0.086 0.000 1.089 348 I HN 0.125 8.335 8.210 -0.000 0.000 0.468 349 L N 1.198 122.418 121.223 -0.005 0.000 2.371 349 L HA 0.294 4.634 4.340 0.001 0.000 0.272 349 L C 0.620 177.531 176.870 0.068 0.000 1.124 349 L CA 0.004 54.862 54.840 0.031 0.000 0.816 349 L CB 1.395 43.517 42.059 0.105 0.000 1.129 349 L HN 0.249 8.479 8.230 -0.000 0.000 0.448 350 M N 2.700 122.324 119.600 0.040 0.000 2.502 350 M HA 0.412 4.892 4.480 0.001 0.000 0.351 350 M C -0.433 175.909 176.300 0.070 0.000 1.118 350 M CA 0.099 55.462 55.300 0.105 0.000 0.952 350 M CB 1.012 33.626 32.600 0.024 0.000 1.424 350 M HN 0.677 8.967 8.290 -0.000 0.000 0.529 351 A N -0.454 122.407 122.820 0.068 0.000 2.586 351 A HA 0.630 4.951 4.320 0.001 0.000 0.296 351 A C -0.606 177.098 177.584 0.200 0.000 1.040 351 A CA -0.864 51.249 52.037 0.126 0.000 0.701 351 A CB 0.459 19.555 19.000 0.158 0.000 1.277 351 A HN 0.132 8.282 8.150 -0.000 0.000 0.413 352 K N 0.863 121.400 120.400 0.229 0.000 2.524 352 K HA 0.519 4.839 4.320 0.001 0.000 0.279 352 K C 0.620 177.425 176.600 0.342 0.000 0.993 352 K CA 0.534 56.968 56.287 0.245 0.000 1.030 352 K CB -0.518 32.093 32.500 0.185 0.000 0.891 352 K HN 2.168 10.418 8.250 -0.000 0.000 0.488 353 S N 0.216 116.120 115.700 0.340 0.000 2.564 353 S HA 0.376 4.846 4.470 0.001 0.000 0.278 353 S C 0.476 175.184 174.600 0.179 0.000 1.333 353 S CA -0.216 58.177 58.200 0.322 0.000 1.048 353 S CB 0.776 64.149 63.200 0.288 0.000 0.900 353 S HN 1.654 9.964 8.310 -0.000 0.000 0.505 354 V N 1.090 121.052 119.914 0.079 0.000 2.607 354 V HA 0.626 4.746 4.120 0.001 0.000 0.289 354 V C -0.139 175.838 176.094 -0.194 0.000 1.053 354 V CA -0.897 61.344 62.300 -0.098 0.000 0.996 354 V CB 0.755 32.453 31.823 -0.208 0.000 0.995 354 V HN 1.121 9.311 8.190 -0.000 0.000 0.476 355 K N 4.505 124.750 120.400 -0.259 0.000 2.203 355 K HA 0.498 4.818 4.320 0.001 0.000 0.251 355 K C -1.813 174.729 176.600 -0.097 0.000 0.944 355 K CA -0.803 55.244 56.287 -0.400 0.000 0.829 355 K CB 2.038 34.133 32.500 -0.674 0.000 1.125 355 K HN 0.819 9.069 8.250 -0.000 0.000 0.430 356 Y N 1.650 121.871 120.300 -0.132 0.000 2.338 356 Y HA 0.265 4.816 4.550 0.001 0.000 0.328 356 Y C -1.241 174.655 175.900 -0.008 0.000 0.965 356 Y CA -0.336 57.750 58.100 -0.024 0.000 1.208 356 Y CB 1.722 40.215 38.460 0.055 0.000 1.132 356 Y HN 0.708 8.988 8.280 -0.000 0.000 0.469 357 T N 5.824 120.222 114.554 -0.260 0.000 2.799 357 T HA 0.529 4.880 4.350 0.001 0.000 0.286 357 T C -0.835 173.746 174.700 -0.198 0.000 0.973 357 T CA -0.623 61.386 62.100 -0.151 0.000 1.035 357 T CB 1.201 69.987 68.868 -0.135 0.000 0.932 357 T HN 0.372 8.612 8.240 -0.000 0.000 0.469 358 V N 4.198 124.050 119.914 -0.104 0.000 2.376 358 V HA 0.358 4.479 4.120 0.001 0.000 0.287 358 V C 0.142 176.016 176.094 -0.366 0.000 1.015 358 V CA -1.115 61.125 62.300 -0.100 0.000 0.834 358 V CB 1.310 33.204 31.823 0.118 0.000 1.001 358 V HN 0.838 9.028 8.190 -0.000 0.000 0.428 359 N N 3.974 122.537 118.700 -0.227 0.000 2.406 359 N HA 0.201 4.941 4.740 0.001 0.000 0.251 359 N C 0.456 175.903 175.510 -0.105 0.000 1.069 359 N CA -0.194 52.719 53.050 -0.227 0.000 0.947 359 N CB 0.937 39.356 38.487 -0.114 0.000 1.111 359 N HN 0.433 8.813 8.380 -0.000 0.000 0.497 360 F N 2.503 122.459 119.950 0.009 0.000 2.325 360 F HA -0.022 4.505 4.527 0.001 0.000 0.299 360 F C 1.914 177.681 175.800 -0.056 0.000 1.090 360 F CA 0.019 58.014 58.000 -0.008 0.000 1.392 360 F CB -0.258 38.767 39.000 0.042 0.000 1.053 360 F HN 0.428 8.728 8.300 -0.000 0.000 0.521 361 L N -0.126 121.172 121.223 0.126 0.000 2.187 361 L HA -0.175 4.166 4.340 0.001 0.000 0.213 361 L C 1.939 178.823 176.870 0.023 0.000 1.100 361 L CA 1.761 56.633 54.840 0.053 0.000 0.765 361 L CB -0.867 41.213 42.059 0.036 0.000 0.904 361 L HN 0.067 8.297 8.230 -0.000 0.000 0.437 362 E N -1.654 118.561 120.200 0.025 0.000 2.399 362 E HA 0.308 4.658 4.350 0.001 0.000 0.205 362 E C 0.663 177.271 176.600 0.014 0.000 0.906 362 E CA 0.390 56.794 56.400 0.007 0.000 0.998 362 E CB 0.206 29.901 29.700 -0.008 0.000 1.002 362 E HN 0.302 8.662 8.360 -0.000 0.000 0.501 363 A N 1.175 124.024 122.820 0.047 0.000 2.477 363 A HA 0.517 4.837 4.320 0.001 0.000 0.246 363 A C 0.388 177.987 177.584 0.025 0.000 1.078 363 A CA 0.241 52.311 52.037 0.055 0.000 0.770 363 A CB -0.068 19.007 19.000 0.125 0.000 1.011 363 A HN 0.173 8.323 8.150 -0.000 0.000 0.494 364 K N 1.314 121.713 120.400 -0.002 0.000 2.126 364 K HA 0.286 4.606 4.320 0.001 0.000 0.257 364 K C 0.826 177.400 176.600 -0.044 0.000 1.007 364 K CA 0.340 56.609 56.287 -0.030 0.000 0.928 364 K CB 0.070 32.547 32.500 -0.038 0.000 1.013 364 K HN 0.943 9.193 8.250 -0.000 0.000 0.473 365 E N 0.360 120.528 120.200 -0.053 0.000 2.130 365 E HA -0.146 4.204 4.350 0.001 0.000 0.196 365 E C 1.842 178.272 176.600 -0.283 0.000 0.998 365 E CA 1.799 58.157 56.400 -0.070 0.000 0.806 365 E CB -0.248 29.466 29.700 0.023 0.000 0.738 365 E HN 0.809 9.169 8.360 -0.000 0.000 0.459 366 G N -0.045 108.577 108.800 -0.297 0.000 2.650 366 G HA2 -0.161 3.800 3.960 0.001 0.000 0.214 366 G HA3 -0.161 3.800 3.960 0.001 0.000 0.214 366 G C 0.863 175.534 174.900 -0.382 0.000 1.136 366 G CA 0.486 45.252 45.100 -0.557 0.000 0.789 366 G HN 0.208 8.498 8.290 -0.000 0.000 0.536 367 D N 0.991 121.274 120.400 -0.195 0.000 2.144 367 D HA -0.076 4.564 4.640 0.001 0.000 0.199 367 D C 2.373 178.620 176.300 -0.088 0.000 0.984 367 D CA 0.526 54.477 54.000 -0.081 0.000 0.834 367 D CB -0.111 40.683 40.800 -0.010 0.000 0.955 367 D HN 0.328 8.698 8.370 -0.000 0.000 0.465 368 L N 0.380 121.515 121.223 -0.146 0.000 2.610 368 L HA -0.043 4.297 4.340 0.001 0.000 0.232 368 L C 1.900 178.792 176.870 0.035 0.000 1.149 368 L CA 0.343 55.138 54.840 -0.074 0.000 0.872 368 L CB -0.326 41.745 42.059 0.020 0.000 0.992 368 L HN 0.078 8.308 8.230 -0.000 0.000 0.447 369 H N 0.310 119.401 119.070 0.035 0.000 2.389 369 H HA 0.023 4.579 4.556 0.001 0.000 0.299 369 H C 1.072 176.428 175.328 0.045 0.000 1.081 369 H CA 0.799 56.862 56.048 0.024 0.000 1.345 369 H CB 0.047 29.808 29.762 -0.002 0.000 1.393 369 H HN 0.199 8.479 8.280 -0.000 0.000 0.520 370 R N 0.747 121.322 120.500 0.125 0.000 2.435 370 R HA 0.405 4.745 4.340 0.001 0.000 0.308 370 R C -1.399 174.887 176.300 -0.024 0.000 0.975 370 R CA -0.302 55.831 56.100 0.055 0.000 0.867 370 R CB 0.405 30.735 30.300 0.050 0.000 1.171 370 R HN -0.018 8.252 8.270 -0.000 0.000 0.470 371 I N 3.317 123.819 120.570 -0.114 0.000 2.382 371 I HA 0.291 4.462 4.170 0.001 0.000 0.285 371 I C -0.477 175.520 176.117 -0.201 0.000 1.007 371 I CA -0.626 60.532 61.300 -0.236 0.000 1.142 371 I CB 1.932 39.594 38.000 -0.562 0.000 1.289 371 I HN 0.574 8.784 8.210 -0.000 0.000 0.453 372 E N 7.605 127.745 120.200 -0.100 0.000 2.114 372 E HA 0.481 4.831 4.350 0.001 0.000 0.266 372 E C -1.074 175.532 176.600 0.010 0.000 0.896 372 E CA -0.509 55.870 56.400 -0.034 0.000 0.750 372 E CB 1.117 30.826 29.700 0.015 0.000 1.121 372 E HN 0.565 8.925 8.360 -0.000 0.000 0.413 373 I N 7.795 128.358 120.570 -0.011 0.000 2.347 373 I HA 0.307 4.478 4.170 0.001 0.000 0.283 373 I C -2.148 174.078 176.117 0.182 0.000 1.058 373 I CA -2.148 59.208 61.300 0.093 0.000 1.202 373 I CB 0.874 38.883 38.000 0.015 0.000 1.386 373 I HN 0.343 8.553 8.210 -0.000 0.000 0.475 374 P HA 0.435 4.855 4.420 -0.000 0.000 0.279 374 P C -1.065 176.253 177.300 0.030 0.000 1.252 374 P CA -0.126 62.947 63.100 -0.045 0.000 0.811 374 P CB 1.124 32.788 31.700 -0.059 0.000 1.035 375 F N -2.076 117.823 119.950 -0.086 0.000 2.686 375 F HA 0.746 5.273 4.527 0.001 0.000 0.311 375 F C -1.116 174.500 175.800 -0.306 0.000 1.128 375 F CA -1.207 56.634 58.000 -0.265 0.000 0.946 375 F CB 2.125 40.912 39.000 -0.354 0.000 1.336 375 F HN 0.126 8.426 8.300 -0.000 0.000 0.457 376 K N 2.324 122.586 120.400 -0.229 0.000 2.731 376 K HA 0.446 4.766 4.320 0.001 0.000 0.257 376 K C -2.314 174.052 176.600 -0.390 0.000 1.032 376 K CA -0.412 55.733 56.287 -0.237 0.000 0.983 376 K CB 1.018 33.389 32.500 -0.215 0.000 1.248 376 K HN 0.615 8.865 8.250 -0.000 0.000 0.484 377 F N 3.470 123.414 119.950 -0.009 0.000 2.405 377 F HA 0.270 4.798 4.527 0.001 0.000 0.355 377 F C 0.751 176.445 175.800 -0.177 0.000 1.121 377 F CA -0.562 57.410 58.000 -0.048 0.000 1.112 377 F CB 0.791 39.786 39.000 -0.008 0.000 1.126 377 F HN 0.306 8.606 8.300 -0.000 0.000 0.481 378 H N 5.215 124.386 119.070 0.169 0.000 3.004 378 H HA 0.168 4.724 4.556 0.001 0.000 0.267 378 H C 0.264 175.638 175.328 0.076 0.000 1.165 378 H CA -0.565 55.535 56.048 0.087 0.000 1.450 378 H CB 0.482 30.269 29.762 0.041 0.000 1.488 378 H HN 0.353 8.633 8.280 -0.000 0.000 0.478 379 M N 3.276 122.938 119.600 0.105 0.000 2.252 379 M HA -0.071 4.409 4.480 0.001 0.000 0.329 379 M C 1.220 177.510 176.300 -0.017 0.000 1.101 379 M CA 0.377 55.696 55.300 0.031 0.000 1.117 379 M CB 0.263 32.848 32.600 -0.025 0.000 1.563 379 M HN 0.596 8.886 8.290 -0.000 0.000 0.445 380 L N 1.657 122.825 121.223 -0.093 0.000 2.920 380 L HA 0.196 4.536 4.340 0.001 0.000 0.257 380 L C -0.088 176.402 176.870 -0.632 0.000 1.150 380 L CA 0.045 54.705 54.840 -0.299 0.000 0.959 380 L CB 0.269 42.146 42.059 -0.304 0.000 1.321 380 L HN 0.602 8.832 8.230 -0.000 0.000 0.555 381 H N -1.126 117.933 119.070 -0.019 0.000 2.974 381 H HA 0.346 4.903 4.556 0.001 0.000 0.366 381 H C -0.787 174.501 175.328 -0.066 0.000 1.155 381 H CA -0.692 55.339 56.048 -0.028 0.000 1.186 381 H CB 2.007 31.759 29.762 -0.016 0.000 1.799 381 H HN -0.195 8.085 8.280 -0.000 0.000 0.541 382 S N 0.738 116.471 115.700 0.054 0.000 2.565 382 S HA 0.617 5.087 4.470 0.001 0.000 0.276 382 S C 0.735 175.334 174.600 -0.001 0.000 1.326 382 S CA 0.238 58.408 58.200 -0.050 0.000 1.045 382 S CB 1.414 64.602 63.200 -0.020 0.000 0.918 382 S HN 0.915 9.225 8.310 -0.000 0.000 0.505 383 G N 0.921 109.676 108.800 -0.075 0.000 2.324 383 G HA2 0.356 4.317 3.960 0.001 0.000 0.293 383 G HA3 0.356 4.317 3.960 0.001 0.000 0.293 383 G C -2.212 172.711 174.900 0.038 0.000 1.297 383 G CA -0.976 44.158 45.100 0.058 0.000 0.853 383 G HN 0.468 8.758 8.290 -0.000 0.000 0.535 384 L N 0.646 121.886 121.223 0.029 0.000 2.331 384 L HA 0.554 4.895 4.340 0.001 0.000 0.278 384 L C 0.575 177.229 176.870 -0.360 0.000 1.106 384 L CA -0.644 54.103 54.840 -0.155 0.000 0.824 384 L CB 1.338 43.189 42.059 -0.346 0.000 1.142 384 L HN 0.361 8.591 8.230 -0.000 0.000 0.443 385 V N 4.542 124.256 119.914 -0.333 0.000 2.383 385 V HA 0.171 4.291 4.120 0.001 0.000 0.275 385 V C 0.570 176.393 176.094 -0.452 0.000 1.036 385 V CA -0.303 61.796 62.300 -0.335 0.000 0.889 385 V CB 0.711 32.443 31.823 -0.152 0.000 0.985 385 V HN 0.733 8.923 8.190 -0.000 0.000 0.459 386 H N 2.694 121.427 119.070 -0.563 0.000 2.586 386 H HA 0.516 5.073 4.556 0.001 0.000 0.273 386 H C 1.028 175.775 175.328 -0.968 0.000 0.997 386 H CA 0.721 56.400 56.048 -0.614 0.000 1.177 386 H CB 1.017 30.505 29.762 -0.456 0.000 1.471 386 H HN 0.944 9.224 8.280 -0.000 0.000 0.538 387 G N -0.316 107.642 108.800 -1.404 0.000 2.332 387 G HA2 0.063 4.023 3.960 0.001 0.000 0.265 387 G HA3 0.063 4.023 3.960 0.001 0.000 0.265 387 G C -1.893 172.330 174.900 -1.129 0.000 1.329 387 G CA -0.965 43.116 45.100 -1.698 0.000 0.949 387 G HN 0.022 8.312 8.290 -0.000 0.000 0.476 388 L N 0.330 121.286 121.223 -0.445 0.000 2.354 388 L HA 0.797 5.137 4.340 0.001 0.000 0.269 388 L C 0.416 177.289 176.870 0.004 0.000 1.005 388 L CA -0.983 53.685 54.840 -0.287 0.000 0.819 388 L CB 2.069 43.812 42.059 -0.526 0.000 1.311 388 L HN 1.040 9.270 8.230 -0.000 0.000 0.423 389 A N 2.103 124.841 122.820 -0.137 0.000 2.317 389 A HA 0.844 5.164 4.320 0.001 0.000 0.327 389 A C -1.278 176.187 177.584 -0.198 0.000 1.178 389 A CA -0.265 51.769 52.037 -0.006 0.000 0.817 389 A CB 0.615 19.695 19.000 0.133 0.000 1.189 389 A HN 0.489 8.639 8.150 -0.000 0.000 0.489 390 F N 1.096 121.199 119.950 0.256 0.000 2.507 390 F HA 0.667 5.194 4.527 0.001 0.000 0.325 390 F C -0.186 175.819 175.800 0.342 0.000 1.116 390 F CA -0.154 57.940 58.000 0.157 0.000 0.930 390 F CB 1.720 40.802 39.000 0.137 0.000 1.146 390 F HN 0.858 9.158 8.300 -0.000 0.000 0.447 391 W N 3.250 124.760 121.300 0.351 0.000 3.047 391 W HA 0.822 5.482 4.660 0.001 0.000 0.341 391 W C -2.272 174.413 176.519 0.278 0.000 1.225 391 W CA -2.114 55.356 57.345 0.208 0.000 1.150 391 W CB 0.787 30.252 29.460 0.008 0.000 1.470 391 W HN 0.418 8.598 8.180 -0.000 0.000 0.578 392 F N 0.275 120.399 119.950 0.289 0.000 2.588 392 F HA 0.742 5.270 4.527 0.001 0.000 0.310 392 F C -0.957 174.957 175.800 0.191 0.000 1.082 392 F CA -1.161 56.930 58.000 0.153 0.000 0.929 392 F CB 1.646 40.623 39.000 -0.037 0.000 1.254 392 F HN 0.233 8.533 8.300 -0.000 0.000 0.455 393 D N 1.318 121.935 120.400 0.362 0.000 2.340 393 D HA 0.680 5.320 4.640 0.001 0.000 0.243 393 D C -1.183 175.359 176.300 0.404 0.000 0.988 393 D CA -0.516 53.686 54.000 0.336 0.000 0.959 393 D CB 2.698 43.731 40.800 0.388 0.000 1.226 393 D HN 0.516 8.886 8.370 -0.000 0.000 0.509 394 V N 0.170 120.268 119.914 0.306 0.000 2.733 394 V HA 0.670 4.790 4.120 0.001 0.000 0.306 394 V C -1.183 174.679 176.094 -0.385 0.000 1.084 394 V CA -0.612 61.684 62.300 -0.008 0.000 0.905 394 V CB 1.945 33.767 31.823 -0.001 0.000 1.010 394 V HN 0.749 8.939 8.190 -0.000 0.000 0.424 395 A N 4.958 127.301 122.820 -0.794 0.000 2.330 395 A HA 0.848 5.168 4.320 0.001 0.000 0.313 395 A C -1.086 175.936 177.584 -0.936 0.000 1.124 395 A CA -0.338 50.995 52.037 -1.173 0.000 0.774 395 A CB 0.689 18.599 19.000 -1.817 0.000 1.198 395 A HN 0.676 8.826 8.150 -0.000 0.000 0.465 396 F N 3.207 122.723 119.950 -0.723 0.000 2.467 396 F HA 0.305 4.833 4.527 0.001 0.000 0.349 396 F C 0.367 175.770 175.800 -0.661 0.000 1.182 396 F CA -0.338 57.106 58.000 -0.927 0.000 1.279 396 F CB 0.319 38.577 39.000 -1.237 0.000 1.626 396 F HN 0.408 8.708 8.300 -0.000 0.000 0.596 397 I N 2.728 123.126 120.570 -0.286 0.000 2.577 397 I HA 0.076 4.246 4.170 0.001 0.000 0.299 397 I C 1.155 177.351 176.117 0.131 0.000 1.157 397 I CA 0.176 61.424 61.300 -0.087 0.000 1.418 397 I CB -0.509 37.446 38.000 -0.076 0.000 1.467 397 I HN 0.559 8.769 8.210 -0.000 0.000 0.624 398 G N 3.177 112.076 108.800 0.165 0.000 2.511 398 G HA2 0.252 4.213 3.960 0.001 0.000 0.316 398 G HA3 0.252 4.213 3.960 0.001 0.000 0.316 398 G C 0.711 175.686 174.900 0.125 0.000 1.210 398 G CA -0.500 44.773 45.100 0.288 0.000 0.969 398 G HN 0.514 8.804 8.290 -0.000 0.000 0.492 399 S N -0.608 115.140 115.700 0.080 0.000 2.474 399 S HA -0.021 4.449 4.470 0.001 0.000 0.235 399 S C 1.788 176.395 174.600 0.012 0.000 0.997 399 S CA 0.652 58.865 58.200 0.023 0.000 0.949 399 S CB -0.112 63.079 63.200 -0.015 0.000 0.766 399 S HN 0.469 8.779 8.310 -0.000 0.000 0.517 400 I N -0.943 119.636 120.570 0.014 0.000 4.139 400 I HA 0.371 4.542 4.170 0.001 0.000 0.320 400 I C 0.327 176.458 176.117 0.023 0.000 1.290 400 I CA 0.397 61.695 61.300 -0.003 0.000 1.253 400 I CB 0.393 38.357 38.000 -0.060 0.000 1.122 400 I HN 0.196 8.406 8.210 -0.000 0.000 0.421 401 M N -0.339 119.287 119.600 0.043 0.000 2.569 401 M HA 0.242 4.723 4.480 0.001 0.000 0.287 401 M C -1.424 174.899 176.300 0.038 0.000 1.130 401 M CA -0.198 55.129 55.300 0.045 0.000 0.885 401 M CB 2.564 35.190 32.600 0.043 0.000 1.759 401 M HN -0.243 8.047 8.290 -0.000 0.000 0.515 402 T N 2.244 116.816 114.554 0.030 0.000 2.875 402 T HA 0.690 5.040 4.350 0.001 0.000 0.284 402 T C -1.083 173.608 174.700 -0.015 0.000 0.995 402 T CA -0.462 61.616 62.100 -0.036 0.000 1.060 402 T CB 1.290 70.135 68.868 -0.038 0.000 0.967 402 T HN 0.380 8.620 8.240 -0.000 0.000 0.476 403 V N 3.085 122.937 119.914 -0.103 0.000 2.577 403 V HA 0.446 4.567 4.120 0.001 0.000 0.303 403 V C -1.163 174.911 176.094 -0.034 0.000 1.042 403 V CA -1.088 61.208 62.300 -0.007 0.000 0.872 403 V CB 1.681 33.472 31.823 -0.052 0.000 0.998 403 V HN 0.865 9.055 8.190 -0.000 0.000 0.423 404 W N 4.695 126.038 121.300 0.072 0.000 2.512 404 W HA 0.745 5.406 4.660 0.001 0.000 0.335 404 W C -0.448 176.127 176.519 0.092 0.000 1.088 404 W CA -0.585 56.803 57.345 0.072 0.000 1.236 404 W CB 1.618 31.094 29.460 0.027 0.000 1.307 404 W HN 0.401 8.581 8.180 -0.000 0.000 0.567 405 L N 3.228 124.655 121.223 0.340 0.000 2.342 405 L HA 0.596 4.937 4.340 0.001 0.000 0.276 405 L C -0.480 176.499 176.870 0.182 0.000 0.997 405 L CA -0.288 54.705 54.840 0.255 0.000 0.838 405 L CB 1.225 43.482 42.059 0.330 0.000 1.224 405 L HN 0.244 8.474 8.230 -0.000 0.000 0.416 406 S N 1.871 117.624 115.700 0.087 0.000 2.537 406 S HA 0.685 5.155 4.470 0.001 0.000 0.301 406 S C 0.567 175.065 174.600 -0.171 0.000 1.092 406 S CA 0.169 58.352 58.200 -0.028 0.000 1.048 406 S CB 1.291 64.466 63.200 -0.043 0.000 1.053 406 S HN 0.808 9.118 8.310 -0.000 0.000 0.501 407 T N 0.976 115.347 114.554 -0.305 0.000 3.228 407 T HA 0.564 4.914 4.350 0.001 0.000 0.278 407 T C 0.460 174.945 174.700 -0.360 0.000 1.014 407 T CA -0.024 61.864 62.100 -0.354 0.000 0.904 407 T CB -0.067 68.426 68.868 -0.626 0.000 1.110 407 T HN 0.752 8.992 8.240 -0.000 0.000 0.541 408 A N 2.806 125.337 122.820 -0.481 0.000 2.520 408 A HA 0.485 4.805 4.320 0.001 0.000 0.235 408 A C -1.016 176.073 177.584 -0.825 0.000 1.065 408 A CA -1.130 50.288 52.037 -1.032 0.000 0.764 408 A CB 0.198 18.741 19.000 -0.762 0.000 1.002 408 A HN 0.269 8.419 8.150 -0.000 0.000 0.502 409 P HA -0.054 4.366 4.420 -0.000 0.000 0.233 409 P C 1.286 178.294 177.300 -0.487 0.000 1.167 409 P CA 1.637 64.289 63.100 -0.746 0.000 0.770 409 P CB -0.080 31.123 31.700 -0.828 0.000 0.837 410 T N -4.764 109.509 114.554 -0.468 0.000 3.054 410 T HA 0.057 4.408 4.350 0.001 0.000 0.259 410 T C 0.856 175.410 174.700 -0.242 0.000 1.092 410 T CA 0.396 62.320 62.100 -0.293 0.000 1.121 410 T CB -0.256 68.463 68.868 -0.248 0.000 0.912 410 T HN -0.046 8.194 8.240 -0.000 0.000 0.489 411 E N 2.241 122.272 120.200 -0.281 0.000 2.280 411 E HA 0.443 4.793 4.350 0.001 0.000 0.261 411 E C -2.532 173.959 176.600 -0.183 0.000 1.088 411 E CA -2.727 53.552 56.400 -0.202 0.000 0.915 411 E CB 0.004 29.588 29.700 -0.193 0.000 1.141 411 E HN 0.175 8.535 8.360 -0.000 0.000 0.433 412 P HA -0.001 4.419 4.420 -0.000 0.000 0.267 412 P C -0.267 176.955 177.300 -0.131 0.000 1.200 412 P CA -0.308 62.731 63.100 -0.102 0.000 0.772 412 P CB 0.296 31.969 31.700 -0.045 0.000 0.855 413 L N 3.332 124.465 121.223 -0.151 0.000 2.426 413 L HA 0.374 4.714 4.340 0.001 0.000 0.271 413 L C 0.436 177.178 176.870 -0.213 0.000 1.169 413 L CA 0.809 55.515 54.840 -0.224 0.000 0.836 413 L CB 0.138 42.043 42.059 -0.256 0.000 1.112 413 L HN 0.588 8.818 8.230 -0.000 0.000 0.465 414 T N 0.088 114.484 114.554 -0.263 0.000 2.910 414 T HA 0.325 4.675 4.350 0.001 0.000 0.287 414 T C 1.061 175.526 174.700 -0.392 0.000 1.050 414 T CA 0.123 62.114 62.100 -0.183 0.000 1.011 414 T CB 0.793 69.684 68.868 0.039 0.000 1.195 414 T HN 0.762 9.002 8.240 -0.000 0.000 0.540 415 H N -0.956 117.947 119.070 -0.278 0.000 2.545 415 H HA -0.009 4.548 4.556 0.001 0.000 0.282 415 H C 0.726 176.057 175.328 0.005 0.000 1.020 415 H CA 0.409 56.285 56.048 -0.288 0.000 1.243 415 H CB -0.067 29.546 29.762 -0.248 0.000 1.377 415 H HN 0.616 8.896 8.280 -0.000 0.000 0.581 416 W N 1.051 122.220 121.300 -0.219 0.000 2.800 416 W HA -0.001 4.659 4.660 0.001 0.000 0.249 416 W C 0.295 176.948 176.519 0.223 0.000 1.294 416 W CA 0.285 57.766 57.345 0.227 0.000 1.402 416 W CB -0.414 29.167 29.460 0.201 0.000 1.126 416 W HN 0.153 8.334 8.180 -0.000 0.000 0.652 417 Y N -0.965 119.363 120.300 0.047 0.000 2.854 417 Y HA -0.398 4.152 4.550 0.001 0.000 0.466 417 Y C 0.779 176.635 175.900 -0.073 0.000 1.170 417 Y CA 1.341 59.375 58.100 -0.110 0.000 2.593 417 Y CB -1.634 36.685 38.460 -0.235 0.000 1.203 417 Y HN -0.092 8.188 8.280 -0.000 0.000 0.629 418 Q N -1.330 118.531 119.800 0.101 0.000 2.456 418 Q HA 0.727 5.068 4.340 0.001 0.000 0.283 418 Q C -1.685 174.411 176.000 0.161 0.000 1.084 418 Q CA -0.797 55.073 55.803 0.111 0.000 0.801 418 Q CB 2.854 31.545 28.738 -0.079 0.000 1.434 418 Q HN 0.332 8.602 8.270 -0.000 0.000 0.419 419 V N 1.510 121.591 119.914 0.278 0.000 2.409 419 V HA 0.561 4.682 4.120 0.001 0.000 0.291 419 V C -0.575 175.726 176.094 0.346 0.000 1.020 419 V CA -0.661 61.783 62.300 0.240 0.000 0.848 419 V CB 1.509 33.476 31.823 0.240 0.000 0.990 419 V HN 0.551 8.741 8.190 -0.000 0.000 0.430 420 R N 2.690 123.314 120.500 0.206 0.000 2.589 420 R HA 0.693 5.033 4.340 0.001 0.000 0.293 420 R C -0.433 176.024 176.300 0.260 0.000 0.963 420 R CA -0.423 55.773 56.100 0.162 0.000 0.905 420 R CB 1.845 31.995 30.300 -0.250 0.000 1.144 420 R HN 0.912 9.182 8.270 -0.000 0.000 0.459 421 C N 2.955 122.484 119.300 0.381 0.000 2.399 421 C HA 0.747 5.207 4.460 0.001 0.000 0.348 421 C C -0.457 174.706 174.990 0.288 0.000 1.183 421 C CA -0.850 58.364 59.018 0.326 0.000 2.023 421 C CB 0.143 28.108 27.740 0.375 0.000 2.361 421 C HN 0.713 8.943 8.230 -0.000 0.000 0.521 422 L N 2.633 124.028 121.223 0.286 0.000 2.346 422 L HA 0.593 4.933 4.340 0.001 0.000 0.274 422 L C -0.541 176.581 176.870 0.421 0.000 1.007 422 L CA -0.386 54.644 54.840 0.318 0.000 0.818 422 L CB 1.374 43.712 42.059 0.466 0.000 1.284 422 L HN 0.564 8.794 8.230 -0.000 0.000 0.424 423 F N 0.947 121.092 119.950 0.325 0.000 2.375 423 F HA 0.238 4.765 4.527 0.001 0.000 0.333 423 F C 1.522 177.514 175.800 0.319 0.000 1.104 423 F CA -0.558 57.583 58.000 0.235 0.000 1.149 423 F CB 0.791 39.829 39.000 0.064 0.000 1.190 423 F HN 0.551 8.851 8.300 -0.000 0.000 0.533 424 Q N 0.380 120.381 119.800 0.336 0.000 2.124 424 Q HA -0.085 4.255 4.340 0.001 0.000 0.202 424 Q C 0.367 176.430 176.000 0.106 0.000 0.977 424 Q CA 1.144 56.918 55.803 -0.049 0.000 0.850 424 Q CB 0.032 28.699 28.738 -0.119 0.000 0.901 424 Q HN 0.463 8.733 8.270 -0.000 0.000 0.429 425 S N 0.311 116.074 115.700 0.104 0.000 2.532 425 S HA 0.406 4.877 4.470 0.001 0.000 0.299 425 S C -2.611 171.968 174.600 -0.034 0.000 1.105 425 S CA -1.868 56.344 58.200 0.019 0.000 1.018 425 S CB 1.306 64.504 63.200 -0.003 0.000 1.021 425 S HN -0.160 8.150 8.310 -0.000 0.000 0.483 426 P HA 0.251 4.671 4.420 -0.000 0.000 0.269 426 P C -1.010 176.223 177.300 -0.112 0.000 1.209 426 P CA -0.259 62.717 63.100 -0.206 0.000 0.776 426 P CB 0.348 31.723 31.700 -0.540 0.000 0.876 427 L N 2.391 123.581 121.223 -0.055 0.000 2.312 427 L HA 0.399 4.739 4.340 0.001 0.000 0.281 427 L C 0.306 177.174 176.870 -0.003 0.000 1.070 427 L CA -0.752 54.064 54.840 -0.040 0.000 0.805 427 L CB 0.304 42.332 42.059 -0.052 0.000 1.174 427 L HN 0.294 8.524 8.230 -0.000 0.000 0.434 428 F N 2.978 122.860 119.950 -0.113 0.000 2.420 428 F HA 0.618 5.146 4.527 0.001 0.000 0.352 428 F C 0.131 175.892 175.800 -0.064 0.000 1.108 428 F CA -0.606 57.336 58.000 -0.097 0.000 1.162 428 F CB 0.949 39.900 39.000 -0.082 0.000 1.118 428 F HN 0.453 8.753 8.300 -0.000 0.000 0.510 429 A N 6.176 128.519 122.820 -0.795 0.000 2.449 429 A HA 0.714 5.034 4.320 0.001 0.000 0.302 429 A C -1.186 175.952 177.584 -0.743 0.000 1.048 429 A CA -0.953 50.727 52.037 -0.594 0.000 0.708 429 A CB 1.431 20.260 19.000 -0.285 0.000 1.274 429 A HN 0.562 8.712 8.150 -0.000 0.000 0.410 430 K N 0.998 121.119 120.400 -0.465 0.000 2.118 430 K HA 0.686 5.006 4.320 0.001 0.000 0.254 430 K C 0.346 176.851 176.600 -0.158 0.000 0.961 430 K CA -0.368 55.742 56.287 -0.295 0.000 0.876 430 K CB 1.787 34.180 32.500 -0.179 0.000 1.077 430 K HN 0.927 9.177 8.250 -0.000 0.000 0.440 431 A N 0.319 123.078 122.820 -0.101 0.000 2.561 431 A HA 0.346 4.667 4.320 0.001 0.000 0.234 431 A C 1.311 178.865 177.584 -0.050 0.000 1.055 431 A CA 1.321 53.315 52.037 -0.072 0.000 0.756 431 A CB -0.750 18.213 19.000 -0.062 0.000 0.986 431 A HN 0.945 9.095 8.150 -0.000 0.000 0.505 432 G N 1.579 110.362 108.800 -0.029 0.000 2.304 432 G HA2 -0.235 3.725 3.960 0.001 0.000 0.252 432 G HA3 -0.235 3.725 3.960 0.001 0.000 0.252 432 G C 0.106 175.020 174.900 0.023 0.000 1.014 432 G CA 0.542 45.646 45.100 0.005 0.000 0.619 432 G HN 0.894 9.184 8.290 -0.000 0.000 0.525 433 D N 1.011 121.403 120.400 -0.013 0.000 2.378 433 D HA 0.479 5.120 4.640 0.001 0.000 0.238 433 D C 0.561 176.858 176.300 -0.005 0.000 1.180 433 D CA 0.797 54.785 54.000 -0.020 0.000 0.895 433 D CB 0.618 41.377 40.800 -0.067 0.000 1.192 433 D HN 0.108 8.478 8.370 -0.000 0.000 0.438 434 T N 1.339 115.877 114.554 -0.026 0.000 2.771 434 T HA 0.409 4.759 4.350 0.001 0.000 0.281 434 T C -0.383 174.305 174.700 -0.020 0.000 0.982 434 T CA -0.563 61.492 62.100 -0.076 0.000 0.978 434 T CB 0.689 69.488 68.868 -0.115 0.000 0.930 434 T HN 0.092 8.332 8.240 -0.000 0.000 0.447 435 L N 4.737 125.990 121.223 0.050 0.000 2.298 435 L HA 0.695 5.036 4.340 0.001 0.000 0.284 435 L C -0.096 176.937 176.870 0.272 0.000 1.013 435 L CA -0.045 54.891 54.840 0.159 0.000 0.824 435 L CB 0.906 43.089 42.059 0.207 0.000 1.221 435 L HN 0.712 8.942 8.230 -0.000 0.000 0.418 436 S N 2.811 118.606 115.700 0.158 0.000 2.599 436 S HA 1.066 5.536 4.470 0.001 0.000 0.287 436 S C -0.288 174.195 174.600 -0.195 0.000 1.105 436 S CA -0.094 58.096 58.200 -0.017 0.000 0.899 436 S CB 1.980 65.096 63.200 -0.141 0.000 1.100 436 S HN 1.217 9.527 8.310 -0.000 0.000 0.482 437 G N 0.317 108.603 108.800 -0.857 0.000 2.336 437 G HA2 0.556 4.516 3.960 0.001 0.000 0.286 437 G HA3 0.556 4.516 3.960 0.001 0.000 0.286 437 G C -1.099 173.103 174.900 -1.163 0.000 1.269 437 G CA -0.032 44.616 45.100 -0.753 0.000 0.873 437 G HN 1.677 9.967 8.290 -0.000 0.000 0.494 438 T N -2.895 111.388 114.554 -0.451 0.000 2.923 438 T HA 0.566 4.917 4.350 0.001 0.000 0.311 438 T C -0.818 174.028 174.700 0.243 0.000 1.183 438 T CA -0.574 61.453 62.100 -0.123 0.000 1.020 438 T CB 1.374 70.189 68.868 -0.087 0.000 1.165 438 T HN 1.003 9.243 8.240 -0.000 0.000 0.482 439 C N 2.750 122.240 119.300 0.318 0.000 2.307 439 C HA 0.730 5.191 4.460 0.001 0.000 0.340 439 C C -0.072 174.965 174.990 0.077 0.000 1.275 439 C CA -0.695 58.464 59.018 0.236 0.000 1.811 439 C CB -0.483 27.415 27.740 0.265 0.000 2.372 439 C HN 0.843 9.073 8.230 -0.000 0.000 0.531 440 L N 4.692 125.945 121.223 0.049 0.000 2.313 440 L HA 0.673 5.013 4.340 0.001 0.000 0.283 440 L C -0.944 175.905 176.870 -0.035 0.000 1.013 440 L CA -0.204 54.634 54.840 -0.003 0.000 0.816 440 L CB 1.131 43.202 42.059 0.019 0.000 1.236 440 L HN 0.448 8.678 8.230 -0.000 0.000 0.419 441 L N 6.905 128.066 121.223 -0.103 0.000 2.366 441 L HA 0.483 4.823 4.340 0.001 0.000 0.266 441 L C -0.453 176.448 176.870 0.051 0.000 1.010 441 L CA -0.114 54.639 54.840 -0.146 0.000 0.879 441 L CB 1.026 42.765 42.059 -0.534 0.000 1.228 441 L HN 0.450 8.680 8.230 -0.000 0.000 0.439 442 I N 2.716 123.383 120.570 0.161 0.000 2.304 442 I HA 0.482 4.652 4.170 0.001 0.000 0.291 442 I C 0.846 177.078 176.117 0.192 0.000 1.018 442 I CA -0.397 60.999 61.300 0.160 0.000 1.260 442 I CB 1.486 39.528 38.000 0.071 0.000 1.390 442 I HN 0.656 8.866 8.210 -0.000 0.000 0.475 443 A N 6.808 129.686 122.820 0.096 0.000 2.445 443 A HA 0.314 4.634 4.320 0.001 0.000 0.242 443 A C -0.091 177.375 177.584 -0.197 0.000 1.075 443 A CA 0.040 51.919 52.037 -0.263 0.000 0.777 443 A CB 0.322 19.213 19.000 -0.181 0.000 1.013 443 A HN 0.858 9.008 8.150 -0.000 0.000 0.493 444 N N -0.393 118.157 118.700 -0.249 0.000 2.732 444 N HA 0.509 5.249 4.740 0.001 0.000 0.259 444 N C -0.819 174.599 175.510 -0.153 0.000 1.402 444 N CA -0.042 52.912 53.050 -0.159 0.000 0.829 444 N CB 1.500 39.929 38.487 -0.096 0.000 1.495 444 N HN 0.716 9.096 8.380 -0.000 0.000 0.511 445 K N 0.421 120.754 120.400 -0.113 0.000 2.292 445 K HA 0.543 4.864 4.320 0.001 0.000 0.290 445 K C 0.808 177.360 176.600 -0.079 0.000 1.083 445 K CA 0.690 56.919 56.287 -0.097 0.000 0.918 445 K CB -0.436 32.018 32.500 -0.076 0.000 1.089 445 K HN 1.017 9.267 8.250 -0.000 0.000 0.473 446 R N 0.024 120.473 120.500 -0.086 0.000 2.082 446 R HA 0.153 4.494 4.340 0.001 0.000 0.449 446 R C 1.453 177.695 176.300 -0.097 0.000 0.355 446 R CA 1.676 57.733 56.100 -0.071 0.000 1.374 446 R CB -2.718 27.551 30.300 -0.051 0.000 1.993 446 R HN 2.592 10.862 8.270 -0.000 0.000 0.268 447 Q N -1.750 117.965 119.800 -0.141 0.000 2.493 447 Q HA -0.006 4.334 4.340 0.001 0.000 0.260 447 Q C 0.830 176.721 176.000 -0.182 0.000 0.905 447 Q CA 2.361 58.053 55.803 -0.185 0.000 1.140 447 Q CB -3.180 25.446 28.738 -0.187 0.000 1.435 447 Q HN 2.820 11.090 8.270 -0.000 0.000 0.581 448 S N -1.452 114.149 115.700 -0.165 0.000 2.542 448 S HA 0.721 5.191 4.470 0.001 0.000 0.293 448 S C 0.174 174.636 174.600 -0.229 0.000 1.089 448 S CA 0.187 58.295 58.200 -0.153 0.000 0.961 448 S CB 0.866 64.068 63.200 0.003 0.000 1.062 448 S HN 1.860 10.170 8.310 -0.000 0.000 0.483 449 Y N -0.712 119.580 120.300 -0.013 0.000 2.942 449 Y HA -0.149 4.401 4.550 0.001 0.000 0.149 449 Y C -1.298 174.599 175.900 -0.004 0.000 1.751 449 Y CA -0.175 57.921 58.100 -0.007 0.000 0.938 449 Y CB -2.643 35.802 38.460 -0.026 0.000 1.525 449 Y HN 0.629 8.909 8.280 -0.000 0.000 0.350 450 D N 4.131 124.633 120.400 0.170 0.000 2.274 450 D HA 0.567 5.207 4.640 0.001 0.000 0.239 450 D C 0.369 176.738 176.300 0.114 0.000 1.104 450 D CA -0.211 53.854 54.000 0.109 0.000 0.840 450 D CB 1.438 42.276 40.800 0.064 0.000 1.100 450 D HN 0.504 8.874 8.370 -0.000 0.000 0.477 451 I N 1.325 121.948 120.570 0.088 0.000 2.406 451 I HA 0.176 4.346 4.170 0.001 0.000 0.290 451 I C 0.102 176.264 176.117 0.075 0.000 0.999 451 I CA -0.549 60.783 61.300 0.054 0.000 1.124 451 I CB 1.764 39.775 38.000 0.018 0.000 1.289 451 I HN 0.117 8.327 8.210 -0.000 0.000 0.441 452 S N 7.511 123.256 115.700 0.074 0.000 2.473 452 S HA 0.723 5.194 4.470 0.001 0.000 0.307 452 S C -0.794 173.897 174.600 0.152 0.000 1.094 452 S CA -0.485 57.777 58.200 0.103 0.000 1.070 452 S CB 0.790 64.034 63.200 0.074 0.000 1.019 452 S HN 0.456 8.766 8.310 -0.000 0.000 0.480 453 I N 5.057 125.750 120.570 0.206 0.000 2.476 453 I HA 0.364 4.534 4.170 0.001 0.000 0.281 453 I C -0.995 175.271 176.117 0.249 0.000 1.040 453 I CA -0.793 60.688 61.300 0.302 0.000 1.094 453 I CB 1.917 40.179 38.000 0.437 0.000 1.219 453 I HN 0.298 8.508 8.210 -0.000 0.000 0.450 454 V N 4.794 124.825 119.914 0.196 0.000 2.435 454 V HA 0.883 5.003 4.120 0.001 0.000 0.290 454 V C 0.205 176.383 176.094 0.139 0.000 1.030 454 V CA -0.441 61.913 62.300 0.092 0.000 0.881 454 V CB 1.483 33.322 31.823 0.026 0.000 0.983 454 V HN 0.808 8.998 8.190 -0.000 0.000 0.445 455 A N 4.630 127.473 122.820 0.038 0.000 2.520 455 A HA 0.872 5.193 4.320 0.001 0.000 0.298 455 A C -0.968 176.596 177.584 -0.034 0.000 1.051 455 A CA -0.727 51.378 52.037 0.113 0.000 0.690 455 A CB 2.063 21.222 19.000 0.264 0.000 1.281 455 A HN 0.961 9.111 8.150 -0.000 0.000 0.402 456 Q N 0.640 120.447 119.800 0.013 0.000 2.315 456 Q HA 0.637 4.978 4.340 0.001 0.000 0.273 456 Q C -1.554 174.446 176.000 0.001 0.000 1.053 456 Q CA -0.966 54.821 55.803 -0.026 0.000 0.817 456 Q CB 1.848 30.561 28.738 -0.042 0.000 1.326 456 Q HN 0.426 8.696 8.270 -0.000 0.000 0.423 457 V N 3.668 123.572 119.914 -0.017 0.000 2.397 457 V HA -0.028 4.092 4.120 0.001 0.000 0.262 457 V C 0.439 176.520 176.094 -0.023 0.000 1.047 457 V CA 0.057 62.346 62.300 -0.019 0.000 1.003 457 V CB 0.255 32.054 31.823 -0.039 0.000 1.037 457 V HN 0.854 9.044 8.190 -0.000 0.000 0.480 458 D N 3.367 123.754 120.400 -0.022 0.000 2.116 458 D HA -0.200 4.441 4.640 0.001 0.000 0.193 458 D C 1.984 178.272 176.300 -0.020 0.000 0.998 458 D CA 1.373 55.358 54.000 -0.025 0.000 0.836 458 D CB 0.103 40.885 40.800 -0.030 0.000 0.951 458 D HN 0.619 8.989 8.370 -0.000 0.000 0.449 459 Q N -0.295 119.493 119.800 -0.020 0.000 2.062 459 Q HA -0.145 4.195 4.340 0.001 0.000 0.209 459 Q C 2.221 178.217 176.000 -0.008 0.000 0.996 459 Q CA 2.469 58.264 55.803 -0.014 0.000 0.859 459 Q CB -0.799 27.927 28.738 -0.019 0.000 0.920 459 Q HN 0.528 8.798 8.270 -0.000 0.000 0.415 460 T N -5.198 109.352 114.554 -0.007 0.000 3.040 460 T HA 0.364 4.714 4.350 0.001 0.000 0.250 460 T C 1.278 175.975 174.700 -0.004 0.000 1.058 460 T CA 0.362 62.465 62.100 0.004 0.000 0.988 460 T CB 0.408 69.290 68.868 0.022 0.000 0.993 460 T HN 0.431 8.671 8.240 -0.000 0.000 0.519 461 G N 1.280 110.072 108.800 -0.013 0.000 2.160 461 G HA2 -0.270 3.691 3.960 0.001 0.000 0.251 461 G HA3 -0.270 3.691 3.960 0.001 0.000 0.251 461 G C 0.176 175.062 174.900 -0.024 0.000 1.008 461 G CA 0.285 45.373 45.100 -0.019 0.000 0.724 461 G HN 0.825 9.115 8.290 -0.000 0.000 0.514 462 S N 0.538 116.223 115.700 -0.024 0.000 2.498 462 S HA 0.578 5.048 4.470 0.001 0.000 0.314 462 S C 0.916 175.479 174.600 -0.062 0.000 1.141 462 S CA 1.002 59.181 58.200 -0.034 0.000 1.087 462 S CB -0.115 63.073 63.200 -0.020 0.000 1.178 462 S HN 1.201 9.511 8.310 -0.000 0.000 0.533 463 K N 2.228 122.587 120.400 -0.068 0.000 2.098 463 K HA 0.704 5.025 4.320 0.001 0.000 0.257 463 K C 0.055 176.572 176.600 -0.138 0.000 0.999 463 K CA -0.627 55.605 56.287 -0.091 0.000 0.924 463 K CB 1.337 33.797 32.500 -0.065 0.000 1.028 463 K HN 0.617 8.867 8.250 -0.000 0.000 0.466 464 S N 0.369 115.953 115.700 -0.193 0.000 2.652 464 S HA 0.502 4.972 4.470 0.001 0.000 0.273 464 S C -1.153 173.320 174.600 -0.212 0.000 1.172 464 S CA -0.037 58.001 58.200 -0.270 0.000 1.009 464 S CB 0.302 63.165 63.200 -0.561 0.000 1.094 464 S HN 1.217 9.527 8.310 -0.000 0.000 0.471 465 S N 4.522 120.167 115.700 -0.091 0.000 2.501 465 S HA 0.732 5.202 4.470 0.001 0.000 0.301 465 S C -0.826 173.809 174.600 0.059 0.000 1.096 465 S CA -0.906 57.291 58.200 -0.005 0.000 1.063 465 S CB 1.182 64.387 63.200 0.009 0.000 1.042 465 S HN 0.733 9.043 8.310 -0.000 0.000 0.494 466 N N 1.466 120.244 118.700 0.130 0.000 2.264 466 N HA 0.428 5.168 4.740 0.001 0.000 0.288 466 N C -1.554 174.061 175.510 0.175 0.000 1.094 466 N CA -0.592 52.575 53.050 0.195 0.000 0.817 466 N CB 2.042 40.730 38.487 0.334 0.000 1.604 466 N HN 0.495 8.875 8.380 -0.000 0.000 0.473 467 L N 1.271 122.589 121.223 0.160 0.000 2.331 467 L HA 0.597 4.937 4.340 0.001 0.000 0.275 467 L C -0.320 176.638 176.870 0.148 0.000 1.022 467 L CA -0.711 54.208 54.840 0.132 0.000 0.812 467 L CB 1.707 43.824 42.059 0.097 0.000 1.257 467 L HN 0.279 8.509 8.230 -0.000 0.000 0.435 468 L N 2.174 123.471 121.223 0.123 0.000 2.349 468 L HA 0.345 4.685 4.340 0.001 0.000 0.278 468 L C -1.060 175.864 176.870 0.091 0.000 0.996 468 L CA -0.486 54.423 54.840 0.116 0.000 0.825 468 L CB 2.122 44.248 42.059 0.112 0.000 1.243 468 L HN 0.571 8.801 8.230 -0.000 0.000 0.412 469 D N 3.822 124.272 120.400 0.083 0.000 2.500 469 D HA 0.097 4.737 4.640 0.001 0.000 0.219 469 D C 0.839 177.182 176.300 0.071 0.000 1.137 469 D CA -0.367 53.672 54.000 0.065 0.000 0.946 469 D CB 0.980 41.805 40.800 0.043 0.000 1.022 469 D HN 0.298 8.668 8.370 -0.000 0.000 0.518 470 L N 3.304 124.581 121.223 0.090 0.000 2.353 470 L HA -0.072 4.268 4.340 0.001 0.000 0.220 470 L C 2.407 179.341 176.870 0.107 0.000 1.133 470 L CA 1.582 56.490 54.840 0.113 0.000 0.798 470 L CB -0.747 41.402 42.059 0.150 0.000 0.922 470 L HN 0.469 8.699 8.230 -0.000 0.000 0.445 471 K N -0.915 119.532 120.400 0.078 0.000 2.442 471 K HA -0.030 4.291 4.320 0.001 0.000 0.198 471 K C 1.165 177.804 176.600 0.064 0.000 1.042 471 K CA 1.346 57.672 56.287 0.064 0.000 0.958 471 K CB -0.817 31.706 32.500 0.037 0.000 0.766 471 K HN 0.460 8.710 8.250 -0.000 0.000 0.474 472 N N 0.104 118.836 118.700 0.054 0.000 2.723 472 N HA 0.234 4.975 4.740 0.001 0.000 0.290 472 N C -3.289 172.229 175.510 0.013 0.000 1.882 472 N CA -2.307 50.766 53.050 0.038 0.000 0.851 472 N CB 1.149 39.639 38.487 0.004 0.000 1.234 472 N HN 0.073 8.453 8.380 -0.000 0.000 0.491 473 P HA 0.210 4.630 4.420 -0.000 0.000 0.277 473 P C -0.977 176.153 177.300 -0.284 0.000 1.240 473 P CA -0.236 62.712 63.100 -0.253 0.000 0.798 473 P CB 0.528 31.899 31.700 -0.549 0.000 0.979 474 F N 2.651 122.361 119.950 -0.400 0.000 2.291 474 F HA 0.451 4.978 4.527 0.001 0.000 0.368 474 F C -0.797 174.819 175.800 -0.307 0.000 1.085 474 F CA -1.382 56.471 58.000 -0.246 0.000 1.165 474 F CB -0.061 38.878 39.000 -0.101 0.000 1.429 474 F HN 0.063 8.363 8.300 -0.000 0.000 0.503 475 F N 5.522 125.361 119.950 -0.185 0.000 2.516 475 F HA 0.186 4.713 4.527 0.001 0.000 0.351 475 F C 1.574 176.929 175.800 -0.743 0.000 1.208 475 F CA -0.033 57.701 58.000 -0.443 0.000 1.073 475 F CB 0.238 38.957 39.000 -0.468 0.000 1.203 475 F HN 0.535 8.835 8.300 -0.000 0.000 0.602 476 R N 2.517 122.558 120.500 -0.765 0.000 2.313 476 R HA -0.004 4.337 4.340 0.001 0.000 0.199 476 R C 0.109 176.233 176.300 -0.292 0.000 0.958 476 R CA -0.020 55.620 56.100 -0.767 0.000 1.047 476 R CB 0.018 29.806 30.300 -0.853 0.000 0.955 476 R HN 0.660 8.930 8.270 -0.000 0.000 0.481 477 Y N 0.000 120.123 120.300 -0.295 0.000 2.660 477 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 477 Y CA 0.000 57.974 58.100 -0.209 0.000 1.940 477 Y CB 0.000 38.235 38.460 -0.375 0.000 1.050 477 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758