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 1tfb_1_A DATA FIRST_RESID 111 DATA SEQUENCE SRAMMNAFKE ITTMADRINL PRNIVDRTNN LFKQVYEQKS LKGRANDAIA DATA SEQUENCE SACLYIACRQ EGVPRTFKEI CAVSRISKKE IGRCFKLILK ALETSVDLIT DATA SEQUENCE TGDFMSRFCS NLCLPKQVQM AATHIARKAV ELDLVPGRSP ISVAAAAIYM DATA SEQUENCE ASQASAEKRT QKEIGDIAGV ADVTIRQSYR LIYPRAPDLF PTDFKFDTPV DATA SEQUENCE DKLPQL 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 111 S HA 0.000 4.540 4.470 0.117 0.000 0.327 111 S C 0.000 174.624 174.600 0.039 0.000 1.055 111 S CA 0.000 58.238 58.200 0.064 0.000 1.107 111 S CB 0.000 63.220 63.200 0.033 0.000 0.593 112 R N 5.785 126.325 120.500 0.066 0.000 2.411 112 R HA 0.137 4.479 4.340 0.003 0.000 0.176 112 R C 0.184 176.504 176.300 0.033 0.000 1.072 112 R CA 0.898 57.019 56.100 0.034 0.000 1.132 112 R CB 0.401 30.725 30.300 0.041 0.000 1.203 112 R HN 0.232 8.570 8.270 0.114 0.000 0.537 113 A N -0.238 122.637 122.820 0.092 0.000 2.024 113 A HA -0.240 4.101 4.320 0.034 0.000 0.220 113 A C 1.632 179.189 177.584 -0.045 0.000 1.164 113 A CA 2.462 54.546 52.037 0.078 0.000 0.643 113 A CB -0.893 18.236 19.000 0.215 0.000 0.806 113 A HN 0.336 8.563 8.150 0.130 0.000 0.451 114 M N -2.112 117.470 119.600 -0.030 0.000 2.159 114 M HA -0.315 3.878 4.480 -0.478 0.000 0.263 114 M C 1.682 177.852 176.300 -0.216 0.000 1.063 114 M CA 3.185 58.370 55.300 -0.191 0.000 1.110 114 M CB -0.211 32.416 32.600 0.045 0.000 1.374 114 M HN -0.046 8.280 8.290 0.118 0.035 0.411 115 M N -3.417 116.064 119.600 -0.197 0.000 2.492 115 M HA -0.259 3.963 4.480 -0.431 0.000 0.262 115 M C 1.739 177.977 176.300 -0.103 0.000 1.090 115 M CA 2.315 57.477 55.300 -0.231 0.000 1.110 115 M CB -0.365 32.136 32.600 -0.165 0.000 1.407 115 M HN -0.303 7.818 8.290 -0.118 0.099 0.470 116 N N -0.667 117.978 118.700 -0.092 0.000 2.415 116 N HA -0.120 4.586 4.740 -0.056 0.000 0.176 116 N C 1.154 176.581 175.510 -0.137 0.000 1.042 116 N CA 1.795 54.797 53.050 -0.079 0.000 0.902 116 N CB 0.410 38.864 38.487 -0.055 0.000 0.986 116 N HN -0.518 7.624 8.380 -0.099 0.178 0.447 117 A N -0.987 121.680 122.820 -0.255 0.000 2.123 117 A HA -0.037 3.995 4.320 -0.479 0.000 0.214 117 A C 0.938 178.286 177.584 -0.392 0.000 1.152 117 A CA 2.083 53.765 52.037 -0.591 0.000 0.728 117 A CB -0.547 17.423 19.000 -1.717 0.000 0.814 117 A HN -0.361 7.518 8.150 -0.229 0.134 0.464 118 F N -3.113 116.598 119.950 -0.397 0.000 2.367 118 F HA -0.067 4.453 4.527 -0.234 -0.133 0.298 118 F C 1.476 177.179 175.800 -0.162 0.000 1.094 118 F CA 1.625 59.486 58.000 -0.232 0.000 1.409 118 F CB -0.072 38.843 39.000 -0.143 0.000 1.064 118 F HN -0.706 7.705 8.300 0.245 0.035 0.528 119 K N -3.333 117.086 120.400 0.031 0.000 2.305 119 K HA -0.139 4.186 4.320 0.009 0.000 0.199 119 K C 1.879 178.449 176.600 -0.051 0.000 1.047 119 K CA 1.432 57.714 56.287 -0.009 0.000 0.976 119 K CB -0.863 31.630 32.500 -0.013 0.000 0.765 119 K HN -0.558 7.686 8.250 0.026 0.021 0.474 120 E N -1.882 118.261 120.200 -0.094 0.000 2.385 120 E HA -0.016 4.294 4.350 -0.068 0.000 0.194 120 E C 1.775 178.311 176.600 -0.108 0.000 1.013 120 E CA 0.792 57.134 56.400 -0.097 0.000 0.866 120 E CB -0.527 29.104 29.700 -0.114 0.000 0.832 120 E HN -0.666 7.482 8.360 -0.122 0.139 0.500 121 I N -0.946 119.532 120.570 -0.152 0.000 2.584 121 I HA -0.198 3.904 4.170 -0.113 0.000 0.255 121 I C 1.588 177.648 176.117 -0.095 0.000 1.145 121 I CA 3.242 64.454 61.300 -0.147 0.000 1.462 121 I CB 0.281 38.127 38.000 -0.257 0.000 1.102 121 I HN -0.653 7.306 8.210 -0.178 0.144 0.433 122 T N -0.368 114.139 114.554 -0.077 0.000 3.035 122 T HA -0.053 4.270 4.350 -0.045 0.000 0.259 122 T C 1.380 176.059 174.700 -0.036 0.000 1.078 122 T CA 2.699 64.771 62.100 -0.046 0.000 1.132 122 T CB -0.210 68.642 68.868 -0.026 0.000 0.900 122 T HN -0.514 7.678 8.240 -0.081 0.000 0.480 123 T N 4.290 118.820 114.554 -0.039 0.000 3.023 123 T HA -0.093 4.240 4.350 -0.027 0.000 0.266 123 T C 1.126 175.804 174.700 -0.036 0.000 1.093 123 T CA 3.662 65.742 62.100 -0.033 0.000 1.129 123 T CB -0.420 68.428 68.868 -0.033 0.000 0.899 123 T HN -0.555 7.656 8.240 -0.047 0.000 0.491 124 M N 0.792 120.367 119.600 -0.042 0.000 2.193 124 M HA -0.252 4.202 4.480 -0.044 0.000 0.265 124 M C 1.134 177.413 176.300 -0.035 0.000 1.071 124 M CA 3.911 59.186 55.300 -0.041 0.000 1.140 124 M CB 0.158 32.734 32.600 -0.040 0.000 1.369 124 M HN -0.639 7.593 8.290 -0.048 0.030 0.423 125 A N -2.294 120.508 122.820 -0.029 0.000 2.015 125 A HA -0.369 3.941 4.320 -0.017 0.000 0.219 125 A C 1.188 178.760 177.584 -0.021 0.000 1.163 125 A CA 2.767 54.791 52.037 -0.021 0.000 0.646 125 A CB -0.867 18.122 19.000 -0.018 0.000 0.806 125 A HN -0.569 7.561 8.150 -0.033 0.000 0.448 126 D N -3.749 116.637 120.400 -0.023 0.000 2.269 126 D HA -0.149 4.481 4.640 -0.017 0.000 0.208 126 D C 0.950 177.236 176.300 -0.023 0.000 0.963 126 D CA 1.916 55.904 54.000 -0.020 0.000 0.864 126 D CB 0.160 40.949 40.800 -0.019 0.000 0.936 126 D HN -0.625 7.608 8.370 -0.026 0.122 0.505 127 R N -2.302 118.180 120.500 -0.029 0.000 2.290 127 R HA -0.038 4.284 4.340 -0.029 0.000 0.197 127 R C 1.093 177.372 176.300 -0.036 0.000 0.913 127 R CA 0.211 56.291 56.100 -0.033 0.000 1.040 127 R CB 0.530 30.806 30.300 -0.040 0.000 0.992 127 R HN -0.670 7.429 8.270 -0.031 0.152 0.500 128 I N -2.564 117.987 120.570 -0.033 0.000 3.684 128 I HA -0.025 4.121 4.170 -0.040 0.000 0.304 128 I C -1.039 175.068 176.117 -0.017 0.000 1.278 128 I CA -0.625 60.657 61.300 -0.030 0.000 1.272 128 I CB -0.685 37.300 38.000 -0.026 0.000 1.029 128 I HN -0.608 7.422 8.210 -0.030 0.162 0.458 129 N N -5.774 112.917 118.700 -0.016 0.000 2.925 129 N HA -0.332 4.401 4.740 -0.011 0.000 0.244 129 N C -0.829 174.677 175.510 -0.006 0.000 1.000 129 N CA 1.184 54.227 53.050 -0.010 0.000 0.895 129 N CB -1.514 36.968 38.487 -0.008 0.000 1.119 129 N HN -0.396 7.911 8.380 -0.019 0.062 0.569 130 L N -0.320 120.899 121.223 -0.006 0.000 2.399 130 L HA 0.408 4.748 4.340 -0.001 0.000 0.265 130 L C -1.780 175.087 176.870 -0.005 0.000 1.089 130 L CA -2.235 52.603 54.840 -0.003 0.000 0.802 130 L CB 0.486 42.546 42.059 0.002 0.000 1.180 130 L HN -0.697 7.472 8.230 -0.009 0.056 0.454 131 P HA 0.181 4.598 4.420 -0.006 0.000 0.289 131 P C 0.024 177.321 177.300 -0.006 0.000 1.299 131 P CA -0.981 62.116 63.100 -0.005 0.000 0.766 131 P CB 0.832 32.529 31.700 -0.005 0.000 1.226 132 R N -2.223 118.274 120.500 -0.005 0.000 2.285 132 R HA -0.294 4.041 4.340 -0.008 0.000 0.213 132 R C 1.905 178.201 176.300 -0.006 0.000 1.068 132 R CA 2.776 58.873 56.100 -0.006 0.000 1.004 132 R CB -0.607 29.691 30.300 -0.003 0.000 0.873 132 R HN 0.407 8.674 8.270 -0.004 0.000 0.467 133 N N -0.208 118.489 118.700 -0.005 0.000 2.043 133 N HA -0.303 4.435 4.740 -0.004 0.000 0.193 133 N C 1.733 177.240 175.510 -0.005 0.000 1.037 133 N CA 4.275 57.322 53.050 -0.004 0.000 0.851 133 N CB -0.577 37.907 38.487 -0.005 0.000 1.027 133 N HN 0.095 8.418 8.380 -0.004 0.055 0.422 134 I N -2.152 118.417 120.570 -0.003 0.000 2.493 134 I HA -0.277 3.896 4.170 0.005 0.000 0.254 134 I C 1.182 177.295 176.117 -0.007 0.000 1.160 134 I CA 1.129 62.430 61.300 0.002 0.000 1.445 134 I CB -1.274 36.732 38.000 0.009 0.000 1.086 134 I HN -0.679 7.529 8.210 -0.003 0.000 0.433 135 V N 0.583 120.488 119.914 -0.015 0.000 2.809 135 V HA -0.320 3.777 4.120 -0.038 0.000 0.256 135 V C 2.053 178.123 176.094 -0.040 0.000 1.080 135 V CA 3.426 65.707 62.300 -0.031 0.000 1.102 135 V CB -0.462 31.346 31.823 -0.026 0.000 0.705 135 V HN -0.675 7.367 8.190 -0.011 0.141 0.475 136 D N -0.444 119.942 120.400 -0.024 0.000 2.249 136 D HA -0.141 4.482 4.640 -0.027 0.000 0.205 136 D C 1.979 178.264 176.300 -0.024 0.000 0.962 136 D CA 3.189 57.176 54.000 -0.021 0.000 0.860 136 D CB 0.100 40.897 40.800 -0.006 0.000 0.955 136 D HN -0.213 7.990 8.370 -0.015 0.158 0.505 137 R N -0.746 119.743 120.500 -0.017 0.000 2.100 137 R HA 0.034 4.369 4.340 -0.008 0.000 0.220 137 R C 2.321 178.614 176.300 -0.012 0.000 1.091 137 R CA 2.180 58.275 56.100 -0.009 0.000 0.986 137 R CB 0.063 30.363 30.300 0.000 0.000 0.888 137 R HN -0.726 7.438 8.270 -0.014 0.099 0.444 138 T N 0.910 115.454 114.554 -0.017 0.000 2.867 138 T HA -0.268 4.097 4.350 0.026 0.000 0.268 138 T C 1.489 176.145 174.700 -0.073 0.000 1.057 138 T CA 4.663 66.754 62.100 -0.014 0.000 1.136 138 T CB -0.618 68.241 68.868 -0.015 0.000 0.874 138 T HN -0.089 8.140 8.240 -0.018 0.000 0.466 139 N N 1.135 119.745 118.700 -0.150 0.000 2.135 139 N HA -0.216 4.209 4.740 -0.526 0.000 0.186 139 N C 1.313 176.691 175.510 -0.220 0.000 1.027 139 N CA 3.577 56.419 53.050 -0.347 0.000 0.849 139 N CB 0.112 38.385 38.487 -0.356 0.000 1.002 139 N HN -0.582 7.713 8.380 -0.113 0.017 0.425 140 N N 0.155 118.805 118.700 -0.084 0.000 2.459 140 N HA -0.154 4.600 4.740 0.025 0.000 0.181 140 N C 2.447 177.967 175.510 0.018 0.000 1.046 140 N CA 2.275 55.323 53.050 -0.004 0.000 0.904 140 N CB -0.166 38.327 38.487 0.010 0.000 0.964 140 N HN -0.536 7.800 8.380 -0.073 0.000 0.444 141 L N -0.626 120.606 121.223 0.015 0.000 2.179 141 L HA -0.251 4.099 4.340 0.015 0.000 0.208 141 L C 1.328 178.239 176.870 0.067 0.000 1.096 141 L CA 2.879 57.739 54.840 0.033 0.000 0.779 141 L CB 0.037 42.119 42.059 0.039 0.000 0.922 141 L HN -0.229 7.843 8.230 -0.006 0.154 0.443 142 F N 0.352 120.266 119.950 -0.060 0.000 2.187 142 F HA -0.364 4.186 4.527 0.039 0.000 0.295 142 F C 0.612 176.465 175.800 0.088 0.000 1.091 142 F CA 2.830 60.821 58.000 -0.015 0.000 1.308 142 F CB 0.834 39.756 39.000 -0.129 0.000 1.030 142 F HN -0.567 7.727 8.300 0.139 0.090 0.487 143 K N -2.877 117.656 120.400 0.222 0.000 2.209 143 K HA -0.431 4.119 4.320 0.383 0.000 0.204 143 K C 1.734 178.395 176.600 0.102 0.000 1.048 143 K CA 2.753 59.200 56.287 0.268 0.000 0.940 143 K CB -0.304 32.415 32.500 0.364 0.000 0.729 143 K HN -0.502 7.870 8.250 0.204 0.000 0.451 144 Q N -3.255 116.568 119.800 0.038 0.000 2.331 144 Q HA -0.124 4.227 4.340 0.019 0.000 0.203 144 Q C 0.312 176.284 176.000 -0.047 0.000 0.944 144 Q CA 2.101 57.907 55.803 0.004 0.000 0.892 144 Q CB 1.063 29.803 28.738 0.003 0.000 0.983 144 Q HN -0.574 7.597 8.270 0.043 0.126 0.482 145 V N -3.364 116.490 119.914 -0.100 0.000 2.991 145 V HA 0.159 4.503 4.120 -0.108 -0.288 0.355 145 V C -0.498 175.447 176.094 -0.249 0.000 1.384 145 V CA -1.679 60.539 62.300 -0.136 0.000 1.171 145 V CB 0.208 31.972 31.823 -0.098 0.000 1.190 145 V HN -0.831 7.144 8.190 -0.112 0.148 0.540 146 Y N 0.795 120.785 120.300 -0.517 0.000 2.490 146 Y HA -0.057 3.885 4.550 -1.012 0.000 0.285 146 Y C -0.787 174.933 175.900 -0.301 0.000 1.117 146 Y CA 0.592 58.236 58.100 -0.761 0.000 1.262 146 Y CB 0.777 38.664 38.460 -0.956 0.000 1.043 146 Y HN -0.710 7.404 8.280 -0.174 0.062 0.553 147 E N -4.221 115.749 120.200 -0.383 0.000 2.548 147 E HA 0.094 4.121 4.350 -0.538 0.000 0.206 147 E C -0.893 175.578 176.600 -0.214 0.000 1.005 147 E CA -0.948 55.226 56.400 -0.376 0.000 0.951 147 E CB 0.013 29.560 29.700 -0.256 0.000 1.035 147 E HN 0.042 8.236 8.360 -0.224 0.032 0.470 148 Q N -0.880 118.816 119.800 -0.173 0.000 2.730 148 Q HA -0.259 4.025 4.340 -0.093 0.000 0.255 148 Q C 1.592 177.534 176.000 -0.097 0.000 1.155 148 Q CA 1.462 57.199 55.803 -0.110 0.000 1.035 148 Q CB 0.793 29.477 28.738 -0.089 0.000 1.335 148 Q HN -0.340 7.644 8.270 -0.193 0.170 0.556 149 K N -1.171 119.189 120.400 -0.068 0.000 2.476 149 K HA -0.101 4.182 4.320 -0.062 0.000 0.196 149 K C -0.947 175.628 176.600 -0.042 0.000 1.025 149 K CA 0.777 57.032 56.287 -0.054 0.000 1.138 149 K CB -0.023 32.452 32.500 -0.042 0.000 0.860 149 K HN 0.428 8.642 8.250 -0.060 0.000 0.515 150 S N -2.645 113.030 115.700 -0.041 0.000 3.009 150 S HA 0.168 4.629 4.470 -0.015 0.000 0.254 150 S C -0.732 173.861 174.600 -0.011 0.000 1.004 150 S CA -0.533 57.655 58.200 -0.020 0.000 1.119 150 S CB 0.696 63.889 63.200 -0.012 0.000 1.075 150 S HN -0.420 7.758 8.310 -0.054 0.100 0.618 151 L N 0.345 121.549 121.223 -0.033 0.000 2.669 151 L HA 0.285 4.647 4.340 0.036 0.000 0.273 151 L C -0.047 176.797 176.870 -0.044 0.000 1.441 151 L CA -0.786 54.050 54.840 -0.007 0.000 0.745 151 L CB 0.809 42.861 42.059 -0.013 0.000 1.044 151 L HN -0.846 7.348 8.230 -0.061 0.000 0.523 152 K N -0.156 120.223 120.400 -0.036 0.000 2.160 152 K HA -0.225 4.012 4.320 -0.139 0.000 0.206 152 K C 0.463 177.062 176.600 -0.002 0.000 1.047 152 K CA 1.388 57.637 56.287 -0.063 0.000 0.930 152 K CB 0.061 32.548 32.500 -0.022 0.000 0.720 152 K HN -0.025 8.215 8.250 -0.016 0.000 0.450 153 G N -2.186 106.684 108.800 0.116 0.000 2.370 153 G HA2 -0.118 4.115 3.960 0.456 0.000 0.225 153 G HA3 -0.118 4.022 3.960 0.301 0.000 0.225 153 G C -0.907 174.113 174.900 0.200 0.000 1.109 153 G CA -0.581 44.687 45.100 0.280 0.000 0.871 153 G HN -0.462 7.858 8.290 0.096 0.027 0.498 154 R N -1.410 119.185 120.500 0.158 0.000 2.694 154 R HA 0.237 4.642 4.340 0.109 0.000 0.334 154 R C -1.672 174.706 176.300 0.129 0.000 1.143 154 R CA -0.573 55.598 56.100 0.119 0.000 1.073 154 R CB 0.075 30.426 30.300 0.086 0.000 1.366 154 R HN 0.098 8.460 8.270 0.153 0.000 0.577 155 A N -1.413 121.508 122.820 0.168 0.000 1.610 155 A HA 0.068 4.459 4.320 0.118 0.000 0.236 155 A C -1.288 176.421 177.584 0.209 0.000 1.723 155 A CA -0.114 52.016 52.037 0.156 0.000 1.769 155 A CB -0.453 18.634 19.000 0.144 0.000 0.649 155 A HN -0.178 8.014 8.150 0.209 0.084 0.829 156 N N 2.199 121.001 118.700 0.169 0.000 2.270 156 N HA -0.365 4.584 4.740 0.348 0.000 0.181 156 N C 0.405 175.906 175.510 -0.015 0.000 1.016 156 N CA 2.531 55.642 53.050 0.102 0.000 0.870 156 N CB -0.065 38.384 38.487 -0.064 0.000 0.979 156 N HN 0.532 8.990 8.380 0.130 0.000 0.431 157 D N -2.190 118.217 120.400 0.013 0.000 2.249 157 D HA -0.130 4.477 4.640 -0.054 0.000 0.205 157 D C 0.989 177.328 176.300 0.064 0.000 0.962 157 D CA 2.954 56.954 54.000 -0.000 0.000 0.860 157 D CB -0.558 40.242 40.800 0.000 0.000 0.955 157 D HN 0.281 8.657 8.370 0.037 0.017 0.505 158 A N -1.066 121.821 122.820 0.111 0.000 1.970 158 A HA -0.182 4.221 4.320 0.139 0.000 0.216 158 A C 1.354 179.061 177.584 0.206 0.000 1.170 158 A CA 2.285 54.412 52.037 0.150 0.000 0.645 158 A CB -0.334 18.752 19.000 0.144 0.000 0.816 158 A HN -0.059 8.067 8.150 0.111 0.091 0.447 159 I N -2.491 118.229 120.570 0.250 0.000 2.500 159 I HA -0.444 3.889 4.170 0.271 0.000 0.252 159 I C 1.170 177.487 176.117 0.332 0.000 1.142 159 I CA 3.335 64.832 61.300 0.329 0.000 1.451 159 I CB -0.073 38.222 38.000 0.492 0.000 1.093 159 I HN -0.221 8.136 8.210 0.246 0.000 0.430 160 A N -0.367 122.591 122.820 0.231 0.000 1.898 160 A HA -0.251 4.173 4.320 0.174 0.000 0.214 160 A C 1.628 179.290 177.584 0.129 0.000 1.183 160 A CA 2.881 54.990 52.037 0.120 0.000 0.622 160 A CB -0.799 18.156 19.000 -0.074 0.000 0.824 160 A HN -0.532 7.701 8.150 0.169 0.018 0.444 161 S N -0.554 115.223 115.700 0.129 0.000 2.359 161 S HA -0.402 4.112 4.470 0.073 0.000 0.223 161 S C 1.896 176.657 174.600 0.267 0.000 1.039 161 S CA 3.766 62.047 58.200 0.135 0.000 1.042 161 S CB -0.149 63.120 63.200 0.114 0.000 0.915 161 S HN -0.352 8.028 8.310 0.117 0.000 0.439 162 A N 0.777 123.824 122.820 0.379 0.000 1.865 162 A HA -0.394 4.423 4.320 0.829 0.000 0.217 162 A C 1.590 179.487 177.584 0.520 0.000 1.191 162 A CA 3.180 55.603 52.037 0.643 0.000 0.623 162 A CB -0.755 18.632 19.000 0.646 0.000 0.826 162 A HN -0.649 7.696 8.150 0.325 0.000 0.444 163 C N -2.978 116.507 119.300 0.308 0.000 2.403 163 C HA -0.512 4.040 4.460 0.154 0.000 0.279 163 C C 2.018 177.123 174.990 0.192 0.000 1.269 163 C CA 4.803 63.938 59.018 0.196 0.000 1.774 163 C CB -0.559 27.267 27.740 0.143 0.000 1.993 163 C HN -0.678 7.721 8.230 0.282 0.000 0.496 164 L N -0.665 120.682 121.223 0.207 0.000 2.072 164 L HA -0.144 4.263 4.340 0.111 0.000 0.205 164 L C 1.988 179.015 176.870 0.262 0.000 1.079 164 L CA 2.751 57.690 54.840 0.164 0.000 0.752 164 L CB -0.069 42.053 42.059 0.105 0.000 0.906 164 L HN -0.071 8.147 8.230 0.220 0.144 0.436 165 Y N -1.273 119.158 120.300 0.218 0.000 2.569 165 Y HA -0.190 4.464 4.550 0.173 0.000 0.293 165 Y C 1.648 177.743 175.900 0.324 0.000 1.144 165 Y CA 0.977 59.243 58.100 0.277 0.000 1.321 165 Y CB -0.724 37.988 38.460 0.420 0.000 0.982 165 Y HN -0.306 8.172 8.280 0.491 0.096 0.558 166 I N -1.217 119.480 120.570 0.212 0.000 2.522 166 I HA -0.404 3.722 4.170 -0.073 0.000 0.240 166 I C 0.938 177.064 176.117 0.014 0.000 1.078 166 I CA 2.458 63.780 61.300 0.037 0.000 1.422 166 I CB -0.107 37.917 38.000 0.041 0.000 1.188 166 I HN -0.825 7.362 8.210 0.291 0.198 0.442 167 A N -0.637 122.209 122.820 0.044 0.000 2.070 167 A HA -0.215 4.108 4.320 0.005 0.000 0.220 167 A C 1.133 178.734 177.584 0.027 0.000 1.159 167 A CA 2.850 54.901 52.037 0.023 0.000 0.656 167 A CB -0.658 18.358 19.000 0.025 0.000 0.800 167 A HN -0.220 7.973 8.150 0.072 0.000 0.453 168 C N -5.841 113.496 119.300 0.061 0.000 2.525 168 C HA 0.106 4.590 4.460 0.040 0.000 0.291 168 C C 1.642 176.672 174.990 0.065 0.000 1.351 168 C CA -0.083 58.978 59.018 0.071 0.000 1.771 168 C CB 1.492 29.303 27.740 0.117 0.000 2.177 168 C HN -0.369 7.874 8.230 0.093 0.042 0.510 169 R N 1.017 121.552 120.500 0.057 0.000 2.193 169 R HA -0.228 4.191 4.340 0.133 0.000 0.229 169 R C 1.758 178.031 176.300 -0.046 0.000 1.110 169 R CA 2.271 58.381 56.100 0.016 0.000 0.988 169 R CB -1.059 29.108 30.300 -0.222 0.000 0.871 169 R HN -0.739 7.460 8.270 0.048 0.099 0.458 170 Q N -3.400 116.372 119.800 -0.046 0.000 2.230 170 Q HA -0.193 4.111 4.340 -0.060 0.000 0.202 170 Q C -0.865 175.096 176.000 -0.065 0.000 0.963 170 Q CA 1.761 57.532 55.803 -0.053 0.000 0.866 170 Q CB 1.014 29.729 28.738 -0.038 0.000 0.931 170 Q HN -0.552 7.665 8.270 -0.031 0.034 0.452 171 E N -5.612 114.555 120.200 -0.055 0.000 3.562 171 E HA 0.045 4.437 4.350 -0.101 -0.102 0.377 171 E C -1.218 175.360 176.600 -0.036 0.000 1.050 171 E CA 0.189 56.550 56.400 -0.065 0.000 0.705 171 E CB 0.342 30.007 29.700 -0.058 0.000 1.314 171 E HN -0.439 7.748 8.360 -0.032 0.153 0.484 172 G N 2.938 111.719 108.800 -0.032 0.000 2.321 172 G HA2 -0.127 3.827 3.960 -0.010 0.000 0.219 172 G HA3 -0.127 3.834 3.960 0.001 0.000 0.219 172 G C -2.744 172.173 174.900 0.029 0.000 1.057 172 G CA 0.024 45.123 45.100 -0.003 0.000 0.849 172 G HN 0.053 8.309 8.290 -0.056 0.000 0.520 173 V N -0.717 119.225 119.914 0.047 0.000 2.653 173 V HA 0.468 4.641 4.120 0.088 0.000 0.298 173 V C -2.621 173.595 176.094 0.204 0.000 1.097 173 V CA -4.115 58.258 62.300 0.122 0.000 0.908 173 V CB 3.616 35.556 31.823 0.196 0.000 1.024 173 V HN -0.524 7.669 8.190 0.005 0.000 0.435 174 P HA 0.423 5.067 4.420 0.294 -0.047 0.276 174 P C -0.411 177.022 177.300 0.221 0.000 1.244 174 P CA -0.685 62.549 63.100 0.222 0.000 0.801 174 P CB 1.138 32.898 31.700 0.100 0.000 1.006 175 R N -5.057 115.539 120.500 0.160 0.000 3.442 175 R HA -0.420 3.763 4.340 -0.261 0.000 0.216 175 R C -0.133 175.811 176.300 -0.595 0.000 0.747 175 R CA 2.883 58.864 56.100 -0.198 0.000 1.290 175 R CB -1.218 29.012 30.300 -0.117 0.000 0.787 175 R HN 0.357 8.786 8.270 0.264 0.000 0.625 176 T N -5.309 109.112 114.554 -0.221 0.000 2.687 176 T HA 0.143 4.619 4.350 0.210 0.000 0.267 176 T C -0.315 174.340 174.700 -0.074 0.000 2.031 176 T CA -0.549 61.488 62.100 -0.104 0.000 0.933 176 T CB 0.565 69.251 68.868 -0.304 0.000 2.211 176 T HN -0.476 7.695 8.240 -0.114 0.000 0.397 177 F N 4.631 124.300 119.950 -0.467 0.000 2.171 177 F HA -0.306 3.655 4.527 -0.944 0.000 0.300 177 F C 1.030 176.559 175.800 -0.452 0.000 1.090 177 F CA 3.263 60.710 58.000 -0.921 0.000 1.293 177 F CB 0.445 38.495 39.000 -1.582 0.000 1.013 177 F HN 0.430 8.660 8.300 -0.117 0.000 0.486 178 K N -1.993 118.329 120.400 -0.130 0.000 2.228 178 K HA -0.439 3.860 4.320 -0.035 0.000 0.205 178 K C 1.954 178.391 176.600 -0.272 0.000 1.045 178 K CA 3.103 59.307 56.287 -0.139 0.000 0.931 178 K CB -0.586 31.852 32.500 -0.103 0.000 0.727 178 K HN 0.142 8.346 8.250 -0.058 0.011 0.458 179 E N -1.729 118.301 120.200 -0.283 0.000 2.102 179 E HA -0.130 4.109 4.350 -0.185 0.000 0.190 179 E C 2.234 178.651 176.600 -0.304 0.000 0.971 179 E CA 1.878 58.144 56.400 -0.223 0.000 0.821 179 E CB 0.364 29.990 29.700 -0.123 0.000 0.777 179 E HN -0.601 7.432 8.360 -0.265 0.168 0.460 180 I N -3.185 117.133 120.570 -0.421 0.000 2.850 180 I HA -0.307 3.722 4.170 -0.236 0.000 0.266 180 I C 1.165 176.930 176.117 -0.588 0.000 1.257 180 I CA 2.499 63.544 61.300 -0.424 0.000 1.465 180 I CB -0.600 37.174 38.000 -0.376 0.000 1.091 180 I HN -0.726 7.154 8.210 -0.433 0.071 0.467 181 C N -1.535 117.288 119.300 -0.796 0.000 2.504 181 C HA -0.058 4.085 4.460 -0.528 0.000 0.279 181 C C 1.940 176.764 174.990 -0.276 0.000 1.358 181 C CA 1.366 60.029 59.018 -0.593 0.000 1.747 181 C CB 0.405 27.798 27.740 -0.579 0.000 2.037 181 C HN -0.080 7.584 8.230 -0.830 0.068 0.503 182 A N -0.054 122.622 122.820 -0.241 0.000 2.125 182 A HA -0.175 4.075 4.320 -0.117 0.000 0.219 182 A C 0.473 177.986 177.584 -0.118 0.000 1.156 182 A CA 2.355 54.305 52.037 -0.144 0.000 0.671 182 A CB -0.914 18.011 19.000 -0.126 0.000 0.794 182 A HN -0.500 7.366 8.150 -0.293 0.108 0.459 183 V N -4.171 115.660 119.914 -0.138 0.000 3.052 183 V HA -0.021 4.053 4.120 -0.078 0.000 0.254 183 V C -0.722 175.323 176.094 -0.082 0.000 1.100 183 V CA 0.331 62.573 62.300 -0.097 0.000 1.112 183 V CB 0.592 32.358 31.823 -0.095 0.000 0.738 183 V HN -0.583 7.434 8.190 -0.190 0.059 0.469 184 S N -0.309 115.334 115.700 -0.095 0.000 2.536 184 S HA 0.219 4.663 4.470 -0.044 0.000 0.298 184 S C -0.972 173.603 174.600 -0.043 0.000 1.083 184 S CA -0.995 57.171 58.200 -0.057 0.000 0.995 184 S CB 1.198 64.372 63.200 -0.043 0.000 1.058 184 S HN -0.489 7.578 8.310 -0.136 0.161 0.488 185 R N 1.555 122.043 120.500 -0.020 0.000 2.615 185 R HA 0.190 4.526 4.340 -0.007 0.000 0.448 185 R C -0.771 175.534 176.300 0.009 0.000 1.009 185 R CA -0.997 55.099 56.100 -0.008 0.000 1.111 185 R CB 0.107 30.398 30.300 -0.015 0.000 1.461 185 R HN 0.156 8.416 8.270 -0.017 0.000 0.587 186 I N 4.181 124.763 120.570 0.020 0.000 2.278 186 I HA 0.028 4.213 4.170 0.025 0.000 0.296 186 I C -1.350 174.796 176.117 0.049 0.000 1.121 186 I CA -1.043 60.277 61.300 0.032 0.000 1.267 186 I CB -1.239 36.782 38.000 0.035 0.000 1.447 186 I HN -0.724 7.497 8.210 0.019 0.000 0.509 187 S N 7.963 123.688 115.700 0.043 0.000 3.349 187 S HA -0.329 4.165 4.470 0.041 0.000 0.437 187 S C 0.199 174.837 174.600 0.064 0.000 0.771 187 S CA 0.812 59.041 58.200 0.049 0.000 1.354 187 S CB 0.282 63.515 63.200 0.055 0.000 1.126 187 S HN 0.240 8.569 8.310 0.033 0.000 0.687 188 K N 5.931 126.367 120.400 0.059 0.000 2.486 188 K HA -0.246 4.138 4.320 0.106 0.000 0.194 188 K C 0.746 177.389 176.600 0.072 0.000 1.033 188 K CA 1.415 57.750 56.287 0.079 0.000 1.004 188 K CB -0.073 32.468 32.500 0.068 0.000 0.798 188 K HN 0.477 8.754 8.250 0.045 0.000 0.495 189 K N -2.181 118.254 120.400 0.057 0.000 2.444 189 K HA -0.060 4.284 4.320 0.040 0.000 0.193 189 K C 0.972 177.606 176.600 0.058 0.000 1.024 189 K CA 1.497 57.812 56.287 0.048 0.000 1.077 189 K CB 0.205 32.728 32.500 0.038 0.000 0.833 189 K HN -0.388 7.824 8.250 0.053 0.070 0.517 190 E N -0.567 119.678 120.200 0.075 0.000 2.228 190 E HA 0.053 4.450 4.350 0.079 0.000 0.197 190 E C 1.489 178.161 176.600 0.121 0.000 0.909 190 E CA 0.834 57.288 56.400 0.090 0.000 0.911 190 E CB 1.527 31.283 29.700 0.092 0.000 0.887 190 E HN -0.732 7.502 8.360 0.079 0.174 0.481 191 I N -0.500 120.156 120.570 0.144 0.000 2.229 191 I HA -0.422 4.021 4.170 0.232 -0.134 0.250 191 I C 2.333 178.565 176.117 0.191 0.000 1.096 191 I CA 3.756 65.180 61.300 0.207 0.000 1.358 191 I CB -0.333 37.822 38.000 0.258 0.000 1.047 191 I HN -0.740 7.549 8.210 0.130 0.000 0.422 192 G N -2.649 106.203 108.800 0.087 0.000 2.421 192 G HA2 -0.348 3.546 3.960 -0.109 0.000 0.216 192 G HA3 -0.348 3.596 3.960 -0.026 0.000 0.216 192 G C 0.922 175.904 174.900 0.136 0.000 1.171 192 G CA 1.859 46.970 45.100 0.017 0.000 0.775 192 G HN -0.220 8.102 8.290 0.079 0.016 0.543 193 R N 1.340 121.909 120.500 0.116 0.000 2.060 193 R HA -0.193 4.207 4.340 0.100 0.000 0.225 193 R C 2.376 178.757 176.300 0.135 0.000 1.155 193 R CA 3.064 59.229 56.100 0.109 0.000 0.930 193 R CB 0.061 30.407 30.300 0.076 0.000 0.829 193 R HN -0.422 7.823 8.270 0.095 0.082 0.433 194 C N -1.994 117.390 119.300 0.140 0.000 2.398 194 C HA -0.458 4.057 4.460 0.092 0.000 0.282 194 C C 1.771 176.859 174.990 0.164 0.000 1.275 194 C CA 4.326 63.426 59.018 0.137 0.000 1.797 194 C CB -0.618 27.220 27.740 0.164 0.000 1.991 194 C HN -0.153 8.156 8.230 0.132 0.000 0.505 195 F N 1.384 121.384 119.950 0.083 0.000 2.113 195 F HA -0.384 4.220 4.527 0.128 0.000 0.297 195 F C 1.183 177.021 175.800 0.064 0.000 1.103 195 F CA 3.416 61.476 58.000 0.099 0.000 1.248 195 F CB -0.095 38.966 39.000 0.102 0.000 0.999 195 F HN -0.067 8.295 8.300 0.339 0.142 0.475 196 K N -0.859 119.578 120.400 0.062 0.000 2.360 196 K HA -0.315 3.903 4.320 -0.169 0.000 0.201 196 K C 2.618 179.144 176.600 -0.124 0.000 1.046 196 K CA 2.901 59.150 56.287 -0.063 0.000 0.945 196 K CB -0.524 32.012 32.500 0.061 0.000 0.750 196 K HN -0.317 8.013 8.250 0.261 0.077 0.464 197 L N -1.588 119.584 121.223 -0.086 0.000 2.127 197 L HA -0.186 4.115 4.340 -0.066 0.000 0.203 197 L C 1.742 178.541 176.870 -0.118 0.000 1.080 197 L CA 2.877 57.673 54.840 -0.074 0.000 0.768 197 L CB 0.356 42.400 42.059 -0.025 0.000 0.924 197 L HN -0.683 7.347 8.230 -0.035 0.179 0.444 198 I N -3.068 117.413 120.570 -0.149 0.000 3.111 198 I HA -0.335 3.773 4.170 -0.103 0.000 0.272 198 I C 0.926 176.896 176.117 -0.246 0.000 1.268 198 I CA 3.110 64.320 61.300 -0.151 0.000 1.467 198 I CB -0.245 37.703 38.000 -0.088 0.000 1.087 198 I HN -0.459 7.671 8.210 -0.134 0.000 0.467 199 L N -3.032 117.957 121.223 -0.390 0.000 2.202 199 L HA -0.034 4.093 4.340 -0.355 0.000 0.205 199 L C 2.155 178.900 176.870 -0.208 0.000 1.083 199 L CA 2.034 56.636 54.840 -0.396 0.000 0.790 199 L CB -0.102 41.586 42.059 -0.618 0.000 0.942 199 L HN -0.159 7.664 8.230 -0.420 0.155 0.452 200 K N -0.091 120.209 120.400 -0.166 0.000 2.148 200 K HA -0.234 4.035 4.320 -0.086 0.000 0.204 200 K C 2.188 178.739 176.600 -0.082 0.000 1.050 200 K CA 2.770 58.997 56.287 -0.099 0.000 0.942 200 K CB -0.670 31.785 32.500 -0.076 0.000 0.724 200 K HN -0.553 7.584 8.250 -0.188 0.000 0.446 201 A N -1.150 121.616 122.820 -0.090 0.000 2.168 201 A HA -0.066 4.221 4.320 -0.056 0.000 0.215 201 A C -0.371 177.175 177.584 -0.064 0.000 1.152 201 A CA 1.715 53.711 52.037 -0.068 0.000 0.716 201 A CB 0.184 19.144 19.000 -0.067 0.000 0.794 201 A HN -0.404 7.658 8.150 -0.111 0.021 0.465 202 L N -7.367 113.809 121.223 -0.079 0.000 2.400 202 L HA 0.410 4.719 4.340 -0.051 0.000 0.261 202 L C -0.491 176.335 176.870 -0.075 0.000 1.554 202 L CA -0.751 54.050 54.840 -0.066 0.000 0.774 202 L CB 0.128 42.151 42.059 -0.060 0.000 0.964 202 L HN -0.605 7.372 8.230 -0.102 0.192 0.524 203 E N 3.074 123.234 120.200 -0.067 0.000 1.963 203 E HA -0.325 4.048 4.350 -0.079 -0.071 0.215 203 E C -0.270 176.302 176.600 -0.048 0.000 0.993 203 E CA 3.010 59.374 56.400 -0.061 0.000 0.880 203 E CB 0.428 30.103 29.700 -0.042 0.000 0.811 203 E HN 0.466 8.790 8.360 -0.059 0.000 0.539 204 T N -6.684 107.850 114.554 -0.033 0.000 3.853 204 T HA -0.063 4.270 4.350 -0.029 0.000 0.249 204 T C -0.654 174.035 174.700 -0.019 0.000 0.767 204 T CA -0.069 62.015 62.100 -0.026 0.000 1.130 204 T CB 0.509 69.364 68.868 -0.022 0.000 0.902 204 T HN -0.467 7.755 8.240 -0.030 0.000 0.381 205 S N -0.387 115.304 115.700 -0.014 0.000 3.808 205 S HA -0.199 4.266 4.470 -0.009 0.000 0.312 205 S C -0.578 174.017 174.600 -0.008 0.000 1.134 205 S CA 0.570 58.763 58.200 -0.010 0.000 0.884 205 S CB -0.171 63.022 63.200 -0.012 0.000 0.918 205 S HN -0.237 8.065 8.310 -0.013 0.000 0.523 206 V N 0.566 120.476 119.914 -0.007 0.000 3.644 206 V HA 0.025 4.142 4.120 -0.005 0.000 0.267 206 V C -0.757 175.337 176.094 -0.001 0.000 1.277 206 V CA 1.218 63.515 62.300 -0.005 0.000 1.096 206 V CB 0.412 32.230 31.823 -0.007 0.000 0.828 206 V HN -0.299 7.886 8.190 -0.007 0.000 0.446 207 D N 0.497 120.897 120.400 -0.000 0.000 2.422 207 D HA -0.236 4.406 4.640 0.002 0.000 0.283 207 D C -0.619 175.682 176.300 0.002 0.000 1.428 207 D CA 1.747 55.748 54.000 0.002 0.000 1.117 207 D CB -0.534 40.267 40.800 0.002 0.000 1.120 207 D HN -0.170 8.161 8.370 -0.001 0.038 0.543 208 L N 4.373 125.598 121.223 0.003 0.000 3.693 208 L HA 0.148 4.490 4.340 0.004 0.000 0.357 208 L C -1.411 175.463 176.870 0.006 0.000 1.330 208 L CA -0.131 54.712 54.840 0.004 0.000 1.046 208 L CB 1.504 43.566 42.059 0.004 0.000 1.407 208 L HN -0.073 8.159 8.230 0.003 0.000 0.614 209 I N -3.362 117.211 120.570 0.004 0.000 2.926 209 I HA 0.232 4.407 4.170 0.008 0.000 0.288 209 I C -0.216 175.894 176.117 -0.010 0.000 0.901 209 I CA 0.080 61.383 61.300 0.005 0.000 2.327 209 I CB 1.900 39.909 38.000 0.016 0.000 1.697 209 I HN -0.619 7.592 8.210 0.002 0.000 0.450 210 T N -1.301 113.241 114.554 -0.019 0.000 3.866 210 T HA -0.399 3.914 4.350 -0.061 0.000 0.344 210 T C -0.192 174.446 174.700 -0.104 0.000 0.760 210 T CA 2.240 64.307 62.100 -0.056 0.000 1.852 210 T CB -1.255 67.588 68.868 -0.042 0.000 1.891 210 T HN 0.079 8.195 8.240 -0.007 0.121 0.783 211 T N -5.629 108.880 114.554 -0.075 0.000 3.048 211 T HA 0.096 4.356 4.350 -0.151 0.000 0.254 211 T C 1.247 175.915 174.700 -0.053 0.000 0.942 211 T CA 0.826 62.882 62.100 -0.073 0.000 0.931 211 T CB 1.203 70.076 68.868 0.008 0.000 1.220 211 T HN -0.383 7.790 8.240 -0.037 0.045 0.503 212 G N 1.927 110.713 108.800 -0.024 0.000 3.471 212 G HA2 -0.002 3.933 3.960 -0.042 0.000 0.254 212 G HA3 -0.002 3.954 3.960 -0.007 0.000 0.254 212 G C -1.960 172.930 174.900 -0.016 0.000 1.199 212 G CA 0.128 45.212 45.100 -0.027 0.000 1.683 212 G HN 0.251 8.536 8.290 -0.009 0.000 0.625 213 D N -0.755 119.612 120.400 -0.055 0.000 2.525 213 D HA 0.048 4.795 4.640 0.179 0.000 0.231 213 D C -0.345 175.942 176.300 -0.022 0.000 1.216 213 D CA -0.986 53.023 54.000 0.016 0.000 0.813 213 D CB 0.742 41.531 40.800 -0.018 0.000 1.108 213 D HN -0.567 7.615 8.370 -0.139 0.105 0.524 214 F N -0.579 119.369 119.950 -0.003 0.000 2.325 214 F HA -0.221 4.314 4.527 0.014 0.000 0.299 214 F C 1.491 177.276 175.800 -0.026 0.000 1.090 214 F CA 1.746 59.741 58.000 -0.008 0.000 1.392 214 F CB 0.172 39.159 39.000 -0.021 0.000 1.053 214 F HN -0.817 7.494 8.300 0.018 0.000 0.521 215 M N -2.693 116.973 119.600 0.110 0.000 2.077 215 M HA -0.300 4.200 4.480 0.034 0.000 0.261 215 M C -0.059 176.282 176.300 0.069 0.000 1.070 215 M CA 2.226 57.535 55.300 0.014 0.000 1.125 215 M CB 0.233 32.736 32.600 -0.163 0.000 1.339 215 M HN -0.348 7.945 8.290 0.040 0.022 0.409 216 S N -6.164 109.613 115.700 0.128 0.000 3.270 216 S HA -0.368 4.276 4.470 0.291 0.000 0.293 216 S C -0.056 174.665 174.600 0.201 0.000 1.278 216 S CA 1.080 59.402 58.200 0.204 0.000 1.038 216 S CB -0.739 62.538 63.200 0.129 0.000 1.218 216 S HN 0.013 8.383 8.310 0.100 0.000 0.659 217 R N -2.063 118.552 120.500 0.191 0.000 2.128 217 R HA 0.032 4.442 4.340 0.118 0.000 0.211 217 R C 2.027 178.494 176.300 0.279 0.000 1.067 217 R CA 1.608 57.804 56.100 0.159 0.000 1.010 217 R CB -0.196 30.147 30.300 0.073 0.000 0.922 217 R HN 0.103 8.375 8.270 0.118 0.069 0.457 218 F N -2.619 117.338 119.950 0.011 0.000 2.797 218 F HA 0.121 4.651 4.527 0.005 0.000 0.302 218 F C -0.043 175.759 175.800 0.004 0.000 1.130 218 F CA -1.930 56.074 58.000 0.007 0.000 1.387 218 F CB -1.761 37.243 39.000 0.007 0.000 1.107 218 F HN -0.107 8.529 8.300 0.559 0.000 0.577 219 C N -0.487 118.927 119.300 0.191 0.000 2.500 219 C HA -0.194 3.984 4.460 -0.469 0.000 0.273 219 C C -0.417 174.527 174.990 -0.076 0.000 1.428 219 C CA 2.258 61.198 59.018 -0.130 0.000 1.766 219 C CB 0.351 28.120 27.740 0.048 0.000 1.817 219 C HN -0.049 8.381 8.230 0.477 0.085 0.543 220 S N -1.754 113.943 115.700 -0.004 0.000 2.460 220 S HA 0.169 4.627 4.470 -0.020 0.000 0.211 220 S C -0.552 174.043 174.600 -0.009 0.000 1.312 220 S CA -0.336 57.861 58.200 -0.005 0.000 1.256 220 S CB -0.618 62.594 63.200 0.019 0.000 1.086 220 S HN -0.908 7.382 8.310 0.057 0.055 0.507 221 N N 0.599 119.274 118.700 -0.043 0.000 2.276 221 N HA 0.086 4.824 4.740 -0.002 0.000 0.212 221 N C -0.629 174.862 175.510 -0.032 0.000 1.127 221 N CA 1.235 54.268 53.050 -0.028 0.000 0.834 221 N CB 0.255 38.714 38.487 -0.046 0.000 1.014 221 N HN 0.394 8.665 8.380 -0.088 0.056 0.491 222 L N -1.638 119.567 121.223 -0.031 0.000 3.110 222 L HA 0.098 4.424 4.340 -0.024 0.000 0.266 222 L C -0.894 175.970 176.870 -0.010 0.000 1.257 222 L CA -0.389 54.436 54.840 -0.025 0.000 1.038 222 L CB -0.601 41.438 42.059 -0.033 0.000 1.395 222 L HN -0.513 7.609 8.230 -0.031 0.089 0.566 223 C N -1.732 117.565 119.300 -0.004 0.000 4.588 223 C HA -0.356 4.106 4.460 0.004 0.000 0.295 223 C C -1.381 173.612 174.990 0.006 0.000 1.316 223 C CA 0.465 59.484 59.018 0.002 0.000 2.041 223 C CB -1.664 26.077 27.740 0.002 0.000 1.224 223 C HN 0.280 8.439 8.230 -0.005 0.068 0.779 224 L N 0.976 122.202 121.223 0.005 0.000 2.326 224 L HA 0.249 4.598 4.340 0.016 0.000 0.278 224 L C -2.138 174.738 176.870 0.010 0.000 1.092 224 L CA -1.468 53.378 54.840 0.011 0.000 0.810 224 L CB 1.246 43.312 42.059 0.011 0.000 1.153 224 L HN -0.486 7.745 8.230 0.002 0.000 0.439 225 P HA 0.258 4.680 4.420 0.005 0.000 0.279 225 P C 0.017 177.313 177.300 -0.007 0.000 1.239 225 P CA -0.850 62.252 63.100 0.004 0.000 0.789 225 P CB 1.004 32.709 31.700 0.008 0.000 0.933 226 K N 2.391 122.784 120.400 -0.012 0.000 2.442 226 K HA -0.406 3.899 4.320 -0.026 0.000 0.198 226 K C 1.624 178.191 176.600 -0.056 0.000 1.044 226 K CA 2.705 58.976 56.287 -0.027 0.000 0.948 226 K CB -1.101 31.388 32.500 -0.019 0.000 0.762 226 K HN 0.392 8.638 8.250 -0.006 0.000 0.472 227 Q N -1.870 117.903 119.800 -0.046 0.000 2.124 227 Q HA -0.213 4.080 4.340 -0.077 0.000 0.202 227 Q C 2.329 178.239 176.000 -0.149 0.000 0.977 227 Q CA 3.119 58.878 55.803 -0.072 0.000 0.850 227 Q CB -0.344 28.378 28.738 -0.026 0.000 0.901 227 Q HN 0.252 8.436 8.270 -0.024 0.072 0.429 228 V N -2.509 117.346 119.914 -0.098 0.000 3.406 228 V HA -0.197 3.780 4.120 -0.239 0.000 0.263 228 V C 1.770 177.776 176.094 -0.146 0.000 1.172 228 V CA 1.839 64.068 62.300 -0.119 0.000 1.140 228 V CB -1.076 30.760 31.823 0.022 0.000 0.784 228 V HN -0.533 7.621 8.190 -0.047 0.008 0.467 229 Q N 0.642 120.370 119.800 -0.120 0.000 2.096 229 Q HA -0.262 4.040 4.340 -0.064 0.000 0.197 229 Q C 2.070 177.949 176.000 -0.202 0.000 0.964 229 Q CA 3.560 59.301 55.803 -0.103 0.000 0.838 229 Q CB 0.154 28.860 28.738 -0.053 0.000 0.906 229 Q HN -0.616 7.411 8.270 -0.098 0.185 0.444 230 M N -2.303 117.136 119.600 -0.268 0.000 2.447 230 M HA -0.101 4.121 4.480 -0.430 0.000 0.264 230 M C 1.550 177.333 176.300 -0.863 0.000 1.095 230 M CA 1.295 56.326 55.300 -0.449 0.000 1.125 230 M CB -0.254 32.209 32.600 -0.230 0.000 1.389 230 M HN -0.049 8.114 8.290 -0.212 0.000 0.459 231 A N -0.674 121.728 122.820 -0.697 0.000 1.930 231 A HA -0.014 3.844 4.320 -0.770 0.000 0.215 231 A C 1.413 178.658 177.584 -0.564 0.000 1.176 231 A CA 2.426 53.773 52.037 -1.150 0.000 0.632 231 A CB -0.722 16.790 19.000 -2.481 0.000 0.819 231 A HN -0.571 7.133 8.150 -0.530 0.128 0.445 232 A N -1.869 120.787 122.820 -0.273 0.000 1.898 232 A HA -0.186 4.324 4.320 0.241 -0.046 0.216 232 A C 1.626 179.219 177.584 0.016 0.000 1.181 232 A CA 2.796 54.856 52.037 0.039 0.000 0.620 232 A CB -0.646 18.384 19.000 0.049 0.000 0.819 232 A HN -0.198 7.661 8.150 -0.319 0.100 0.442 233 T N -0.044 114.426 114.554 -0.140 0.000 2.833 233 T HA -0.397 3.957 4.350 0.006 0.000 0.269 233 T C 2.174 176.868 174.700 -0.010 0.000 1.054 233 T CA 4.568 66.613 62.100 -0.091 0.000 1.135 233 T CB -0.526 68.240 68.868 -0.169 0.000 0.869 233 T HN -0.572 7.521 8.240 -0.245 0.000 0.466 234 H N 0.884 119.998 119.070 0.073 0.000 2.357 234 H HA -0.296 4.312 4.556 0.087 0.000 0.301 234 H C 2.191 177.622 175.328 0.172 0.000 1.082 234 H CA 3.212 59.332 56.048 0.121 0.000 1.342 234 H CB -0.056 29.790 29.762 0.140 0.000 1.389 234 H HN -0.818 7.094 8.280 -0.419 0.116 0.511 235 I N -0.684 120.098 120.570 0.352 0.000 2.163 235 I HA -0.483 3.748 4.170 0.101 0.000 0.240 235 I C 1.345 177.537 176.117 0.126 0.000 1.081 235 I CA 3.498 64.926 61.300 0.213 0.000 1.353 235 I CB -0.157 38.019 38.000 0.293 0.000 1.054 235 I HN -0.859 7.487 8.210 0.370 0.086 0.407 236 A N -2.500 120.407 122.820 0.145 0.000 2.121 236 A HA -0.314 4.049 4.320 0.072 0.000 0.218 236 A C 1.686 179.318 177.584 0.081 0.000 1.154 236 A CA 2.694 54.790 52.037 0.099 0.000 0.679 236 A CB -0.843 18.222 19.000 0.107 0.000 0.795 236 A HN -0.141 8.111 8.150 0.170 0.000 0.458 237 R N -0.551 120.011 120.500 0.104 0.000 2.062 237 R HA -0.282 4.110 4.340 0.088 0.000 0.231 237 R C 1.662 178.002 176.300 0.067 0.000 1.136 237 R CA 3.302 59.461 56.100 0.097 0.000 0.948 237 R CB -0.225 30.160 30.300 0.142 0.000 0.845 237 R HN -0.125 8.049 8.270 0.133 0.176 0.430 238 K N -1.726 118.709 120.400 0.058 0.000 2.361 238 K HA -0.055 4.281 4.320 0.027 0.000 0.196 238 K C 1.947 178.543 176.600 -0.007 0.000 1.039 238 K CA 1.783 58.085 56.287 0.024 0.000 1.001 238 K CB 0.148 32.659 32.500 0.018 0.000 0.795 238 K HN -0.749 7.549 8.250 0.079 0.000 0.495 239 A N 0.106 122.916 122.820 -0.016 0.000 1.897 239 A HA -0.197 4.073 4.320 -0.082 0.000 0.215 239 A C 1.280 178.842 177.584 -0.036 0.000 1.181 239 A CA 3.082 55.084 52.037 -0.058 0.000 0.620 239 A CB -0.313 18.633 19.000 -0.090 0.000 0.821 239 A HN -0.131 7.900 8.150 0.008 0.125 0.443 240 V N -3.178 116.734 119.914 -0.003 0.000 2.649 240 V HA -0.283 3.834 4.120 -0.004 0.000 0.248 240 V C 1.625 177.726 176.094 0.011 0.000 1.054 240 V CA 2.588 64.893 62.300 0.008 0.000 1.073 240 V CB -0.281 31.562 31.823 0.034 0.000 0.699 240 V HN -0.351 7.741 8.190 0.014 0.106 0.463 241 E N -2.005 118.204 120.200 0.015 0.000 2.347 241 E HA -0.165 4.196 4.350 0.018 0.000 0.196 241 E C 0.955 177.557 176.600 0.003 0.000 1.008 241 E CA 1.975 58.384 56.400 0.015 0.000 0.852 241 E CB 0.152 29.866 29.700 0.022 0.000 0.783 241 E HN -0.723 7.649 8.360 0.020 0.000 0.505 242 L N -2.453 118.766 121.223 -0.008 0.000 2.590 242 L HA 0.117 4.450 4.340 -0.010 0.000 0.227 242 L C -1.228 175.627 176.870 -0.024 0.000 1.099 242 L CA 0.168 54.998 54.840 -0.016 0.000 0.872 242 L CB 1.481 43.526 42.059 -0.025 0.000 1.088 242 L HN -0.707 7.355 8.230 -0.011 0.161 0.479 243 D N -1.729 118.656 120.400 -0.025 0.000 3.729 243 D HA -0.281 4.343 4.640 -0.028 0.000 0.242 243 D C -1.018 175.253 176.300 -0.048 0.000 1.091 243 D CA 1.407 55.389 54.000 -0.030 0.000 1.096 243 D CB -1.932 38.856 40.800 -0.020 0.000 0.901 243 D HN -0.481 7.757 8.370 -0.021 0.120 0.416 244 L N -0.290 120.891 121.223 -0.070 0.000 2.672 244 L HA 0.166 4.455 4.340 -0.085 0.000 0.236 244 L C -1.777 175.028 176.870 -0.108 0.000 1.092 244 L CA -0.308 54.474 54.840 -0.097 0.000 0.887 244 L CB 1.809 43.790 42.059 -0.130 0.000 1.168 244 L HN -0.188 8.000 8.230 -0.070 0.000 0.502 245 V N -1.921 117.940 119.914 -0.088 0.000 4.390 245 V HA 0.310 4.387 4.120 -0.072 0.000 0.446 245 V C -2.393 173.675 176.094 -0.043 0.000 1.402 245 V CA -2.509 59.745 62.300 -0.076 0.000 2.190 245 V CB 1.118 32.881 31.823 -0.099 0.000 0.650 245 V HN -0.357 7.788 8.190 -0.075 0.000 0.509 246 P HA 0.294 4.707 4.420 -0.012 0.000 0.235 246 P C -0.213 177.080 177.300 -0.011 0.000 1.725 246 P CA -0.906 62.184 63.100 -0.017 0.000 0.894 246 P CB -1.364 30.328 31.700 -0.014 0.000 1.704 247 G N 0.654 109.447 108.800 -0.011 0.000 2.433 247 G HA2 -0.283 3.673 3.960 -0.008 0.000 0.216 247 G HA3 -0.283 3.873 3.960 -0.003 -0.198 0.216 247 G C 0.444 175.344 174.900 0.000 0.000 1.186 247 G CA 1.486 46.583 45.100 -0.006 0.000 0.779 247 G HN -0.010 8.163 8.290 -0.015 0.108 0.543 248 R N -0.492 120.010 120.500 0.003 0.000 1.855 248 R HA 0.227 4.569 4.340 0.004 0.000 0.168 248 R C -0.107 176.194 176.300 0.003 0.000 1.791 248 R CA -0.281 55.821 56.100 0.004 0.000 1.428 248 R CB 1.566 31.870 30.300 0.007 0.000 1.037 248 R HN -0.399 7.972 8.270 0.005 -0.098 0.483 249 S N -4.866 110.834 115.700 0.000 0.000 2.732 249 S HA 0.379 4.854 4.470 0.007 0.000 0.293 249 S C -1.845 172.754 174.600 -0.001 0.000 1.159 249 S CA -3.061 55.139 58.200 0.000 0.000 0.847 249 S CB 1.182 64.377 63.200 -0.008 0.000 1.169 249 S HN -0.211 8.099 8.310 -0.000 0.000 0.501 250 P HA 0.045 4.477 4.420 0.019 0.000 0.217 250 P C 1.055 178.345 177.300 -0.016 0.000 1.154 250 P CA 1.845 64.957 63.100 0.019 0.000 0.841 250 P CB 0.472 32.208 31.700 0.061 0.000 0.790 251 I N -1.962 118.552 120.570 -0.094 0.000 2.423 251 I HA -0.520 3.466 4.170 -0.308 0.000 0.254 251 I C 1.488 177.518 176.117 -0.146 0.000 1.151 251 I CA 3.043 64.177 61.300 -0.278 0.000 1.421 251 I CB -1.089 36.578 38.000 -0.555 0.000 1.079 251 I HN 0.143 8.311 8.210 -0.070 0.000 0.431 252 S N -1.189 114.469 115.700 -0.070 0.000 2.382 252 S HA -0.315 4.144 4.470 -0.019 0.000 0.228 252 S C 1.672 176.290 174.600 0.030 0.000 1.027 252 S CA 3.069 61.261 58.200 -0.014 0.000 0.991 252 S CB -0.626 62.577 63.200 0.006 0.000 0.823 252 S HN -0.222 8.017 8.310 -0.062 0.035 0.469 253 V N 2.039 121.972 119.914 0.032 0.000 2.913 253 V HA -0.217 3.969 4.120 0.110 0.000 0.260 253 V C 1.725 177.873 176.094 0.090 0.000 1.098 253 V CA 1.242 63.586 62.300 0.073 0.000 1.121 253 V CB -1.602 30.249 31.823 0.047 0.000 0.714 253 V HN -0.239 7.850 8.190 0.011 0.109 0.487 254 A N 1.043 123.890 122.820 0.045 0.000 1.872 254 A HA -0.314 4.052 4.320 0.077 0.000 0.214 254 A C 1.309 178.938 177.584 0.075 0.000 1.187 254 A CA 3.075 55.143 52.037 0.052 0.000 0.614 254 A CB -0.967 18.029 19.000 -0.006 0.000 0.826 254 A HN -0.368 7.601 8.150 0.004 0.183 0.442 255 A N -3.585 119.272 122.820 0.061 0.000 2.067 255 A HA -0.197 4.173 4.320 0.084 0.000 0.217 255 A C 1.071 178.736 177.584 0.135 0.000 1.156 255 A CA 2.013 54.100 52.037 0.083 0.000 0.683 255 A CB -0.357 18.675 19.000 0.054 0.000 0.808 255 A HN -0.559 7.607 8.150 0.027 0.000 0.455 256 A N -2.930 119.987 122.820 0.162 0.000 2.072 256 A HA -0.029 4.446 4.320 0.259 0.000 0.216 256 A C 1.391 179.133 177.584 0.265 0.000 1.156 256 A CA 2.081 54.265 52.037 0.244 0.000 0.701 256 A CB -0.453 18.716 19.000 0.282 0.000 0.816 256 A HN 0.004 8.105 8.150 0.132 0.128 0.458 257 A N -2.133 120.827 122.820 0.232 0.000 2.072 257 A HA -0.204 4.312 4.320 0.326 0.000 0.216 257 A C 1.573 179.264 177.584 0.178 0.000 1.156 257 A CA 2.387 54.569 52.037 0.241 0.000 0.701 257 A CB -0.362 18.759 19.000 0.201 0.000 0.816 257 A HN -0.180 7.858 8.150 0.187 0.224 0.458 258 I N -0.839 119.824 120.570 0.155 0.000 2.286 258 I HA -0.411 3.824 4.170 0.109 0.000 0.245 258 I C 1.277 177.512 176.117 0.197 0.000 1.104 258 I CA 3.777 65.160 61.300 0.138 0.000 1.397 258 I CB 0.472 38.536 38.000 0.107 0.000 1.072 258 I HN -0.683 7.489 8.210 0.155 0.130 0.417 259 Y N -1.164 119.158 120.300 0.037 0.000 2.561 259 Y HA -0.185 4.377 4.550 0.019 0.000 0.291 259 Y C 0.380 176.266 175.900 -0.023 0.000 1.141 259 Y CA 1.137 59.247 58.100 0.016 0.000 1.303 259 Y CB 0.247 38.720 38.460 0.022 0.000 1.015 259 Y HN -0.778 7.668 8.280 0.276 0.000 0.547 260 M N -0.923 118.623 119.600 -0.090 0.000 2.435 260 M HA 0.020 4.168 4.480 -0.554 0.000 0.265 260 M C 0.762 177.030 176.300 -0.055 0.000 1.104 260 M CA 0.924 56.026 55.300 -0.331 0.000 1.140 260 M CB 0.161 32.424 32.600 -0.562 0.000 1.372 260 M HN -0.674 7.481 8.290 0.061 0.171 0.456 261 A N -0.971 121.945 122.820 0.161 0.000 2.067 261 A HA -0.161 4.507 4.320 0.580 0.000 0.217 261 A C 1.062 178.823 177.584 0.294 0.000 1.156 261 A CA 2.271 54.563 52.037 0.424 0.000 0.683 261 A CB -0.497 18.748 19.000 0.409 0.000 0.808 261 A HN -0.084 8.062 8.150 0.150 0.094 0.455 262 S N -3.343 112.450 115.700 0.155 0.000 2.419 262 S HA -0.366 4.247 4.470 0.147 -0.055 0.233 262 S C 1.274 175.917 174.600 0.071 0.000 1.016 262 S CA 2.477 60.754 58.200 0.129 0.000 0.974 262 S CB 0.229 63.529 63.200 0.166 0.000 0.786 262 S HN -0.521 7.838 8.310 0.127 0.027 0.492 263 Q N -3.890 115.906 119.800 -0.007 0.000 2.360 263 Q HA 0.033 4.359 4.340 -0.024 0.000 0.202 263 Q C -0.211 175.794 176.000 0.009 0.000 0.915 263 Q CA 0.500 56.278 55.803 -0.042 0.000 0.943 263 Q CB 0.124 28.773 28.738 -0.149 0.000 1.064 263 Q HN -0.629 7.584 8.270 -0.046 0.029 0.511 264 A N -1.224 121.620 122.820 0.040 0.000 2.551 264 A HA 0.361 4.768 4.320 0.146 0.000 0.252 264 A C -0.069 177.512 177.584 -0.005 0.000 1.199 264 A CA 0.458 52.497 52.037 0.003 0.000 0.972 264 A CB 1.874 20.683 19.000 -0.319 0.000 1.153 264 A HN -0.182 7.825 8.150 0.087 0.195 0.559 265 S N -1.295 114.550 115.700 0.242 0.000 2.526 265 S HA 0.138 4.910 4.470 0.503 0.000 0.245 265 S C 0.441 175.154 174.600 0.189 0.000 1.103 265 S CA -2.299 56.138 58.200 0.394 0.000 1.095 265 S CB -0.627 62.846 63.200 0.456 0.000 0.826 265 S HN -0.353 8.091 8.310 0.223 0.000 0.468 266 A N -0.612 122.281 122.820 0.121 0.000 2.750 266 A HA -0.322 4.025 4.320 0.044 0.000 0.298 266 A C -1.046 176.577 177.584 0.065 0.000 1.500 266 A CA 1.788 53.867 52.037 0.069 0.000 0.891 266 A CB -1.281 17.755 19.000 0.060 0.000 0.972 266 A HN -0.360 7.783 8.150 0.112 0.075 0.531 267 E N -1.694 118.555 120.200 0.082 0.000 2.402 267 E HA 0.136 4.517 4.350 0.052 0.000 0.244 267 E C -1.883 174.760 176.600 0.071 0.000 0.945 267 E CA -1.841 54.601 56.400 0.069 0.000 0.774 267 E CB 1.998 31.744 29.700 0.075 0.000 1.296 267 E HN -0.383 7.994 8.360 0.104 0.045 0.414 268 K N 4.468 124.901 120.400 0.055 0.000 2.185 268 K HA -0.040 4.433 4.320 0.075 -0.107 0.271 268 K C -0.465 176.182 176.600 0.079 0.000 1.013 268 K CA 0.906 57.232 56.287 0.065 0.000 0.943 268 K CB 0.772 33.298 32.500 0.043 0.000 0.998 268 K HN 0.004 8.280 8.250 0.043 0.000 0.468 269 R N 0.710 121.282 120.500 0.120 0.000 3.405 269 R HA 0.195 4.567 4.340 0.054 0.000 0.194 269 R C -2.088 174.262 176.300 0.083 0.000 1.259 269 R CA -1.165 54.990 56.100 0.092 0.000 0.805 269 R CB 3.037 33.397 30.300 0.101 0.000 1.390 269 R HN 0.186 8.558 8.270 0.169 0.000 0.447 270 T N -3.624 110.933 114.554 0.005 0.000 2.956 270 T HA 0.213 4.610 4.350 -0.004 -0.049 0.312 270 T C -0.679 173.844 174.700 -0.294 0.000 1.151 270 T CA -1.201 60.856 62.100 -0.072 0.000 1.024 270 T CB 2.671 71.504 68.868 -0.059 0.000 1.140 270 T HN -0.163 8.063 8.240 -0.022 0.000 0.473 271 Q N 2.683 122.235 119.800 -0.413 0.000 2.368 271 Q HA -0.472 3.164 4.340 -1.173 0.000 0.210 271 Q C 1.104 176.901 176.000 -0.338 0.000 0.982 271 Q CA 3.529 58.957 55.803 -0.624 0.000 0.884 271 Q CB -0.061 28.456 28.738 -0.370 0.000 0.933 271 Q HN 0.228 8.361 8.270 -0.228 0.000 0.460 272 K N -0.519 119.750 120.400 -0.218 0.000 2.063 272 K HA -0.177 4.054 4.320 -0.149 0.000 0.204 272 K C 1.261 177.761 176.600 -0.166 0.000 1.039 272 K CA 3.815 60.008 56.287 -0.157 0.000 0.957 272 K CB -0.321 32.116 32.500 -0.105 0.000 0.764 272 K HN 0.091 8.165 8.250 -0.189 0.062 0.447 273 E N -3.486 116.624 120.200 -0.149 0.000 2.511 273 E HA -0.153 4.102 4.350 -0.158 0.000 0.196 273 E C 0.969 177.473 176.600 -0.158 0.000 1.066 273 E CA 1.677 57.992 56.400 -0.142 0.000 0.871 273 E CB -1.068 28.576 29.700 -0.095 0.000 0.863 273 E HN 0.126 8.407 8.360 -0.133 0.000 0.520 274 I N -4.602 115.852 120.570 -0.193 0.000 4.124 274 I HA 0.190 4.300 4.170 -0.102 0.000 0.311 274 I C -1.018 174.994 176.117 -0.174 0.000 1.259 274 I CA -0.028 61.174 61.300 -0.162 0.000 1.315 274 I CB 2.009 39.908 38.000 -0.169 0.000 1.223 274 I HN -0.281 7.780 8.210 -0.235 0.008 0.441 275 G N -2.968 105.691 108.800 -0.235 0.000 2.780 275 G HA2 0.224 4.128 3.960 -0.094 0.000 0.198 275 G HA3 0.224 4.083 3.960 -0.168 0.000 0.198 275 G C 0.827 175.643 174.900 -0.140 0.000 1.067 275 G CA 0.762 45.768 45.100 -0.157 0.000 0.765 275 G HN -0.711 7.295 8.290 -0.286 0.113 0.581 276 D N 3.448 123.752 120.400 -0.159 0.000 2.178 276 D HA -0.179 4.406 4.640 -0.092 0.000 0.202 276 D C 2.302 178.503 176.300 -0.164 0.000 0.974 276 D CA 2.990 56.914 54.000 -0.127 0.000 0.841 276 D CB 0.115 40.846 40.800 -0.115 0.000 0.953 276 D HN -0.195 7.985 8.370 -0.187 0.077 0.478 277 I N -2.000 118.414 120.570 -0.259 0.000 2.916 277 I HA -0.308 3.637 4.170 -0.375 0.000 0.267 277 I C 0.170 175.863 176.117 -0.707 0.000 1.263 277 I CA 1.758 62.773 61.300 -0.476 0.000 1.471 277 I CB -0.146 37.524 38.000 -0.549 0.000 1.089 277 I HN -0.351 7.696 8.210 -0.242 0.018 0.468 278 A N -3.108 119.524 122.820 -0.312 0.000 2.218 278 A HA 0.002 4.450 4.320 0.213 0.000 0.209 278 A C 0.341 178.029 177.584 0.172 0.000 1.168 278 A CA -0.475 51.575 52.037 0.021 0.000 0.804 278 A CB 0.829 19.852 19.000 0.038 0.000 0.834 278 A HN -0.624 7.200 8.150 -0.223 0.192 0.482 279 G N -0.848 107.987 108.800 0.059 0.000 2.402 279 G HA2 -0.333 3.646 3.960 0.031 0.000 0.300 279 G HA3 -0.333 3.699 3.960 0.119 0.000 0.300 279 G C 0.053 174.989 174.900 0.061 0.000 0.987 279 G CA 1.424 46.568 45.100 0.073 0.000 0.881 279 G HN -0.472 7.616 8.290 -0.036 0.181 0.512 280 V N -1.090 118.848 119.914 0.040 0.000 2.450 280 V HA -0.066 4.138 4.120 0.016 -0.075 0.222 280 V C -0.337 175.763 176.094 0.009 0.000 1.102 280 V CA 1.141 63.453 62.300 0.019 0.000 1.102 280 V CB 0.793 32.623 31.823 0.011 0.000 0.715 280 V HN -0.933 7.248 8.190 0.030 0.027 0.491 281 A N -5.896 116.928 122.820 0.007 0.000 2.590 281 A HA 0.066 4.387 4.320 0.002 0.000 0.296 281 A C -1.712 175.878 177.584 0.011 0.000 1.050 281 A CA -0.203 51.837 52.037 0.006 0.000 0.697 281 A CB 2.000 21.003 19.000 0.006 0.000 1.277 281 A HN -0.634 7.521 8.150 0.009 0.000 0.411 282 D N 0.467 120.870 120.400 0.006 0.000 2.312 282 D HA -0.157 4.491 4.640 0.012 0.000 0.211 282 D C 1.334 177.653 176.300 0.032 0.000 0.964 282 D CA 2.696 56.702 54.000 0.011 0.000 0.877 282 D CB 0.306 41.103 40.800 -0.005 0.000 0.924 282 D HN 0.357 8.727 8.370 -0.000 0.000 0.515 283 V N -4.161 115.770 119.914 0.028 0.000 3.623 283 V HA -0.059 4.090 4.120 0.049 0.000 0.271 283 V C -0.183 175.940 176.094 0.048 0.000 1.248 283 V CA 0.388 62.711 62.300 0.038 0.000 1.156 283 V CB -0.205 31.632 31.823 0.023 0.000 0.870 283 V HN -0.305 7.850 8.190 0.018 0.045 0.453 284 T N 0.281 114.865 114.554 0.050 0.000 3.021 284 T HA -0.036 4.342 4.350 0.047 0.000 0.245 284 T C 1.099 175.859 174.700 0.100 0.000 1.028 284 T CA 3.541 65.674 62.100 0.056 0.000 1.139 284 T CB 1.068 69.955 68.868 0.032 0.000 0.884 284 T HN -0.490 7.572 8.240 0.044 0.204 0.457 285 I N 0.054 120.695 120.570 0.119 0.000 2.480 285 I HA -0.181 4.117 4.170 0.215 0.000 0.251 285 I C 1.530 177.784 176.117 0.229 0.000 1.124 285 I CA 2.930 64.346 61.300 0.193 0.000 1.444 285 I CB -0.369 37.752 38.000 0.201 0.000 1.098 285 I HN -0.860 7.405 8.210 0.091 0.000 0.428 286 R N -0.487 120.122 120.500 0.183 0.000 2.153 286 R HA -0.156 4.342 4.340 0.264 0.000 0.218 286 R C 1.823 178.226 176.300 0.172 0.000 1.072 286 R CA 1.975 58.195 56.100 0.200 0.000 0.990 286 R CB -0.100 30.289 30.300 0.149 0.000 0.889 286 R HN -0.741 7.611 8.270 0.137 0.000 0.452 287 Q N -3.430 116.446 119.800 0.126 0.000 2.384 287 Q HA -0.039 4.352 4.340 0.086 0.000 0.207 287 Q C 0.706 176.753 176.000 0.078 0.000 0.904 287 Q CA 1.865 57.720 55.803 0.087 0.000 0.933 287 Q CB -0.045 28.726 28.738 0.055 0.000 1.077 287 Q HN 0.069 8.311 8.270 0.114 0.097 0.522 288 S N 0.200 115.971 115.700 0.119 0.000 2.362 288 S HA -0.114 4.380 4.470 0.039 0.000 0.221 288 S C 1.071 175.722 174.600 0.084 0.000 1.032 288 S CA 3.022 61.282 58.200 0.100 0.000 0.973 288 S CB 0.145 63.440 63.200 0.159 0.000 0.849 288 S HN -0.597 7.650 8.310 0.152 0.154 0.465 289 Y N 0.348 120.710 120.300 0.103 0.000 2.478 289 Y HA 0.070 4.707 4.550 0.144 0.000 0.261 289 Y C 1.847 177.826 175.900 0.132 0.000 1.127 289 Y CA 1.808 59.996 58.100 0.147 0.000 1.288 289 Y CB 0.827 39.392 38.460 0.175 0.000 1.084 289 Y HN -0.739 7.763 8.280 0.370 0.000 0.530 290 R N -1.623 118.998 120.500 0.201 0.000 2.204 290 R HA -0.295 4.139 4.340 0.158 0.000 0.253 290 R C -0.385 175.878 176.300 -0.062 0.000 1.172 290 R CA 2.732 58.897 56.100 0.108 0.000 0.994 290 R CB 0.270 30.623 30.300 0.088 0.000 0.874 290 R HN -0.400 7.954 8.270 0.205 0.039 0.462 291 L N -10.571 110.561 121.223 -0.151 0.000 2.508 291 L HA 0.322 4.334 4.340 -0.547 0.000 0.276 291 L C -1.643 175.018 176.870 -0.348 0.000 1.456 291 L CA -0.567 54.074 54.840 -0.332 0.000 0.693 291 L CB -0.043 41.896 42.059 -0.200 0.000 0.965 291 L HN -0.892 7.252 8.230 -0.087 0.034 0.517 292 I N -0.075 120.246 120.570 -0.415 0.000 3.927 292 I HA 0.162 4.167 4.170 -0.274 0.000 0.332 292 I C -2.039 173.940 176.117 -0.230 0.000 1.485 292 I CA -0.729 60.358 61.300 -0.354 0.000 1.131 292 I CB 1.405 39.057 38.000 -0.581 0.000 1.092 292 I HN -0.676 7.271 8.210 -0.440 0.000 0.410 293 Y N -6.139 114.059 120.300 -0.170 0.000 2.552 293 Y HA 0.381 4.859 4.550 -0.120 0.000 0.337 293 Y C -2.307 173.560 175.900 -0.054 0.000 1.094 293 Y CA -3.980 54.057 58.100 -0.105 0.000 1.028 293 Y CB -0.045 38.380 38.460 -0.058 0.000 1.321 293 Y HN -0.845 6.862 8.280 -0.839 0.069 0.456 294 P HA 0.028 4.425 4.420 -0.037 0.000 0.221 294 P C -0.783 176.619 177.300 0.170 0.000 1.155 294 P CA 1.516 64.648 63.100 0.055 0.000 0.812 294 P CB 0.714 32.438 31.700 0.041 0.000 0.801 295 R N -5.898 114.787 120.500 0.308 0.000 2.512 295 R HA 0.020 4.561 4.340 0.335 0.000 0.191 295 R C -2.771 173.608 176.300 0.131 0.000 0.622 295 R CA -0.418 55.831 56.100 0.247 0.000 0.844 295 R CB -1.266 29.105 30.300 0.118 0.000 1.228 295 R HN -0.421 8.043 8.270 0.323 0.000 0.587 296 A N -1.844 121.036 122.820 0.100 0.000 2.529 296 A HA 0.152 4.373 4.320 -0.165 0.000 0.300 296 A C -2.613 174.955 177.584 -0.027 0.000 0.942 296 A CA -0.309 51.701 52.037 -0.045 0.000 0.614 296 A CB 0.759 19.782 19.000 0.037 0.000 1.367 296 A HN -0.603 7.734 8.150 0.312 0.000 0.443 297 P HA 0.131 4.488 4.420 -0.105 0.000 0.225 297 P C -1.860 175.321 177.300 -0.199 0.000 1.768 297 P CA -0.156 62.895 63.100 -0.083 0.000 0.943 297 P CB -1.681 30.089 31.700 0.116 0.000 1.936 298 D N 1.489 121.838 120.400 -0.085 0.000 2.690 298 D HA 0.088 4.774 4.640 0.077 0.000 0.236 298 D C -0.423 175.792 176.300 -0.142 0.000 1.218 298 D CA 0.871 54.852 54.000 -0.031 0.000 0.829 298 D CB -0.776 40.048 40.800 0.041 0.000 1.009 298 D HN -0.180 8.107 8.370 -0.026 0.067 0.482 299 L N -2.615 118.367 121.223 -0.402 0.000 2.515 299 L HA 0.044 4.297 4.340 -0.144 0.000 0.223 299 L C -0.205 176.529 176.870 -0.228 0.000 1.079 299 L CA -0.329 54.335 54.840 -0.292 0.000 0.857 299 L CB 0.231 42.108 42.059 -0.303 0.000 1.050 299 L HN -1.010 6.667 8.230 -0.734 0.112 0.476 300 F N -1.672 118.300 119.950 0.036 0.000 2.629 300 F HA -0.167 4.433 4.527 0.122 0.000 0.377 300 F C 0.358 176.178 175.800 0.035 0.000 1.101 300 F CA -0.917 57.111 58.000 0.047 0.000 1.301 300 F CB -0.825 38.146 39.000 -0.049 0.000 1.062 300 F HN -0.871 6.706 8.300 -1.205 0.000 0.583 301 P HA 0.016 4.482 4.420 0.077 0.000 0.219 301 P C -0.401 176.935 177.300 0.059 0.000 1.154 301 P CA 0.796 63.949 63.100 0.089 0.000 0.826 301 P CB 0.698 32.424 31.700 0.045 0.000 0.795 302 T N -5.292 109.287 114.554 0.042 0.000 4.309 302 T HA -0.091 4.289 4.350 0.051 0.000 0.282 302 T C -0.420 174.252 174.700 -0.047 0.000 0.995 302 T CA 1.176 63.282 62.100 0.011 0.000 0.710 302 T CB -0.353 68.510 68.868 -0.007 0.000 1.030 302 T HN -0.023 8.249 8.240 0.053 0.000 0.796 303 D N 1.178 121.472 120.400 -0.177 0.000 2.075 303 D HA -0.122 4.421 4.640 -0.162 0.000 0.196 303 D C 0.494 176.770 176.300 -0.040 0.000 0.985 303 D CA 1.487 55.334 54.000 -0.255 0.000 0.834 303 D CB 0.207 40.468 40.800 -0.899 0.000 0.987 303 D HN -0.071 8.154 8.370 -0.242 0.000 0.452 304 F N 0.881 120.762 119.950 -0.115 0.000 2.390 304 F HA -0.265 4.203 4.527 -0.097 0.000 0.339 304 F C 0.333 175.936 175.800 -0.327 0.000 1.161 304 F CA 0.247 58.117 58.000 -0.217 0.000 0.940 304 F CB -0.701 38.021 39.000 -0.463 0.000 1.022 304 F HN -0.159 8.198 8.300 0.096 0.000 0.572 305 K N 4.594 125.095 120.400 0.167 0.000 2.515 305 K HA -0.264 4.084 4.320 0.046 0.000 0.196 305 K C -0.710 175.954 176.600 0.105 0.000 1.038 305 K CA 0.485 56.823 56.287 0.085 0.000 0.967 305 K CB 0.300 32.852 32.500 0.087 0.000 0.780 305 K HN -0.032 8.339 8.250 0.202 0.000 0.483 306 F N -4.379 115.489 119.950 -0.136 0.000 2.561 306 F HA -0.200 3.975 4.527 -0.797 -0.126 0.427 306 F C -0.885 174.822 175.800 -0.155 0.000 1.139 306 F CA -0.594 57.165 58.000 -0.402 0.000 1.360 306 F CB -2.596 36.164 39.000 -0.400 0.000 1.972 306 F HN -0.483 7.824 8.300 0.150 0.083 0.767 307 D N -0.923 119.602 120.400 0.209 0.000 2.191 307 D HA -0.248 4.461 4.640 0.114 0.000 0.195 307 D C 0.383 176.729 176.300 0.076 0.000 1.003 307 D CA 2.332 56.418 54.000 0.143 0.000 0.867 307 D CB 0.327 41.226 40.800 0.165 0.000 0.926 307 D HN 0.106 8.652 8.370 0.293 0.000 0.450 308 T N 0.829 115.427 114.554 0.074 0.000 2.837 308 T HA 0.360 4.689 4.350 -0.034 0.000 0.285 308 T C -1.785 172.799 174.700 -0.194 0.000 0.984 308 T CA -2.113 59.965 62.100 -0.038 0.000 1.049 308 T CB 0.759 69.607 68.868 -0.033 0.000 0.947 308 T HN -0.582 7.734 8.240 0.152 0.016 0.472 309 P HA 0.133 4.371 4.420 -0.302 0.000 0.237 309 P C -1.441 175.650 177.300 -0.349 0.000 1.788 309 P CA -0.254 62.688 63.100 -0.263 0.000 1.061 309 P CB -1.373 30.236 31.700 -0.151 0.000 1.967 310 V N -1.867 117.683 119.914 -0.606 0.000 2.922 310 V HA 0.066 3.994 4.120 -0.320 0.000 0.242 310 V C 0.228 176.026 176.094 -0.493 0.000 1.094 310 V CA -0.230 61.763 62.300 -0.511 0.000 1.106 310 V CB 1.182 32.690 31.823 -0.525 0.000 0.799 310 V HN -0.317 7.272 8.190 -0.937 0.039 0.474 311 D N 1.299 121.262 120.400 -0.729 0.000 2.845 311 D HA -0.319 4.129 4.640 -0.320 0.000 0.229 311 D C -1.314 174.880 176.300 -0.177 0.000 1.170 311 D CA 1.630 55.414 54.000 -0.359 0.000 0.717 311 D CB -1.058 39.615 40.800 -0.212 0.000 1.073 311 D HN 0.326 7.944 8.370 -1.254 0.000 0.424 312 K N -4.405 115.886 120.400 -0.182 0.000 2.267 312 K HA -0.042 4.284 4.320 0.010 0.000 0.226 312 K C -3.103 173.449 176.600 -0.079 0.000 1.767 312 K CA -0.029 56.221 56.287 -0.062 0.000 0.718 312 K CB -0.014 32.447 32.500 -0.065 0.000 1.393 312 K HN -0.186 7.815 8.250 -0.342 0.044 0.367 313 L N 1.173 122.385 121.223 -0.018 0.000 2.506 313 L HA 0.561 4.843 4.340 -0.096 0.000 0.247 313 L C -2.623 174.184 176.870 -0.106 0.000 1.141 313 L CA -3.320 51.491 54.840 -0.047 0.000 0.973 313 L CB 0.769 42.835 42.059 0.012 0.000 1.319 313 L HN -0.201 8.098 8.230 0.115 0.000 0.455 314 P HA 0.136 4.109 4.420 -0.746 0.000 0.289 314 P C -1.218 175.799 177.300 -0.472 0.000 1.299 314 P CA -1.002 61.736 63.100 -0.604 0.000 0.766 314 P CB 1.577 32.898 31.700 -0.632 0.000 1.226 315 Q N -4.672 114.773 119.800 -0.592 0.000 2.344 315 Q HA -0.432 4.070 4.340 0.270 0.000 0.320 315 Q C -0.442 175.496 176.000 -0.104 0.000 1.238 315 Q CA 0.209 55.990 55.803 -0.037 0.000 0.798 315 Q CB -1.530 27.186 28.738 -0.037 0.000 0.929 315 Q HN 0.228 7.508 8.270 -1.649 0.000 0.314 316 L N 0.000 121.234 121.223 0.018 0.000 2.949 316 L HA 0.000 3.885 4.340 -0.758 0.000 0.249 316 L CA 0.000 54.503 54.840 -0.562 0.000 0.813 316 L CB 0.000 41.897 42.059 -0.270 0.000 0.961 316 L HN 0.000 8.518 8.230 0.480 0.000 0.502