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 3nk3_1_A DATA FIRST_RESID 51 DATA SEQUENCE YTPVAVQcQE AQLVVTVHRD LFGTGRLINA ADLTLGPAAc KHSSLNAAHN DATA SEQUENCE TVTFAAGLHE cGSVVQVTPD TLIYRTLINY DPSPASNPVI IRTNPAVIPI DATA SEQUENCE EcHYPRRXXX XXXXXXPTWS PFNSALSAEE RLVFSLRLMS DDWSTERPFT DATA SEQUENCE GFQLGDILNI QAEVSTENHV PLRLFVDScV AALSPDGDSS PHYAIIDFNG DATA SEQUENCE cLVDGRVDDT SSAFITPRPR EDVLRFRIDV FRFAGDNRNL IYITcHLKVT DATA SEQUENCE PADQGPDPQN KAcSFNKARN TWVPVEGSRD VcNccETGNc EPP 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 51 Y HA 0.000 4.520 4.550 -0.049 0.000 0.201 51 Y C 0.000 175.884 175.900 -0.027 0.000 1.272 51 Y CA 0.000 58.065 58.100 -0.059 0.000 1.940 51 Y CB 0.000 38.391 38.460 -0.116 0.000 1.050 52 T N 10.520 124.780 114.554 -0.490 0.000 2.809 52 T HA 0.393 4.578 4.350 -0.274 0.000 0.296 52 T C -1.743 172.671 174.700 -0.477 0.000 1.015 52 T CA -2.514 59.365 62.100 -0.368 0.000 0.954 52 T CB 0.814 69.580 68.868 -0.170 0.000 0.950 52 T HN 0.104 8.083 8.240 -0.434 0.000 0.450 53 P HA -0.137 4.088 4.420 -0.325 0.000 0.218 53 P C -1.598 175.632 177.300 -0.117 0.000 1.148 53 P CA 0.815 63.758 63.100 -0.263 0.000 0.822 53 P CB 0.416 32.050 31.700 -0.110 0.000 0.784 54 V N -4.158 115.681 119.914 -0.125 0.000 2.447 54 V HA 0.298 4.526 4.120 -0.097 -0.166 0.292 54 V C -1.474 174.567 176.094 -0.089 0.000 1.021 54 V CA -1.731 60.513 62.300 -0.095 0.000 0.850 54 V CB 2.355 34.136 31.823 -0.070 0.000 1.005 54 V HN -0.668 7.421 8.190 -0.134 0.020 0.426 55 A N 9.130 131.896 122.820 -0.091 0.000 2.290 55 A HA 0.509 4.787 4.320 -0.071 0.000 0.310 55 A C -2.064 175.494 177.584 -0.045 0.000 1.202 55 A CA -1.413 50.580 52.037 -0.073 0.000 0.837 55 A CB 1.843 20.793 19.000 -0.084 0.000 1.139 55 A HN 0.578 8.666 8.150 -0.103 0.000 0.509 56 V N 4.297 124.188 119.914 -0.038 0.000 2.407 56 V HA 0.272 4.524 4.120 -0.012 -0.138 0.291 56 V C -0.688 175.393 176.094 -0.023 0.000 1.018 56 V CA -1.067 61.219 62.300 -0.023 0.000 0.842 56 V CB 1.595 33.405 31.823 -0.022 0.000 0.996 56 V HN 0.401 8.565 8.190 -0.044 0.000 0.426 57 Q N 7.220 127.015 119.800 -0.009 0.000 2.368 57 Q HA 0.245 4.575 4.340 -0.017 0.000 0.256 57 Q C -1.119 174.885 176.000 0.007 0.000 0.980 57 Q CA -1.397 54.402 55.803 -0.007 0.000 0.887 57 Q CB 1.346 30.084 28.738 0.001 0.000 1.221 57 Q HN 0.392 8.661 8.270 -0.000 0.000 0.458 58 c N 6.690 125.283 118.600 -0.011 0.000 2.158 58 c HA 0.211 4.819 4.570 0.065 0.000 0.350 58 c C -0.116 174.032 174.090 0.097 0.000 1.064 58 c CA -0.223 56.112 56.329 0.009 0.000 1.507 58 c CB -2.526 39.873 42.510 -0.185 0.000 1.934 58 c HN 0.832 9.041 8.230 -0.035 0.000 0.479 59 Q N 4.665 124.550 119.800 0.142 0.000 2.239 59 Q HA 0.093 4.503 4.340 0.116 0.000 0.193 59 Q C -0.086 176.012 176.000 0.164 0.000 1.004 59 Q CA -0.866 55.012 55.803 0.125 0.000 1.040 59 Q CB 1.239 30.009 28.738 0.054 0.000 1.149 59 Q HN -0.136 8.205 8.270 0.119 0.000 0.535 60 E N -0.946 119.293 120.200 0.064 0.000 2.051 60 E HA -0.266 4.107 4.350 0.037 0.000 0.192 60 E C 0.238 176.759 176.600 -0.132 0.000 0.991 60 E CA 2.574 58.974 56.400 -0.000 0.000 0.799 60 E CB -0.190 29.507 29.700 -0.004 0.000 0.748 60 E HN 0.435 8.822 8.360 0.046 0.000 0.449 61 A N -4.143 118.608 122.820 -0.115 0.000 2.569 61 A HA 0.224 4.379 4.320 -0.275 0.000 0.284 61 A C -2.140 175.358 177.584 -0.143 0.000 0.948 61 A CA -0.276 51.658 52.037 -0.171 0.000 1.007 61 A CB 0.243 19.182 19.000 -0.102 0.000 1.232 61 A HN -0.060 8.049 8.150 -0.067 0.000 0.530 62 Q N -3.808 115.932 119.800 -0.100 0.000 2.534 62 Q HA 0.554 4.931 4.340 -0.100 -0.097 0.290 62 Q C -2.561 173.429 176.000 -0.017 0.000 0.991 62 Q CA -1.284 54.479 55.803 -0.066 0.000 0.783 62 Q CB 3.917 32.638 28.738 -0.028 0.000 1.470 62 Q HN -0.772 7.456 8.270 -0.070 0.000 0.406 63 L N -3.961 117.257 121.223 -0.009 0.000 2.333 63 L HA 1.020 5.563 4.340 0.037 -0.181 0.269 63 L C -1.663 175.227 176.870 0.034 0.000 1.010 63 L CA -1.631 53.223 54.840 0.024 0.000 0.818 63 L CB 3.595 45.670 42.059 0.026 0.000 1.306 63 L HN 0.165 8.382 8.230 -0.022 0.000 0.430 64 V N 0.523 120.459 119.914 0.036 0.000 2.482 64 V HA 0.531 4.874 4.120 0.067 -0.182 0.295 64 V C -0.972 175.151 176.094 0.049 0.000 1.026 64 V CA -1.120 61.208 62.300 0.047 0.000 0.856 64 V CB 2.075 33.914 31.823 0.028 0.000 1.001 64 V HN -0.035 8.173 8.190 0.030 0.000 0.424 65 V N 8.944 128.913 119.914 0.093 0.000 2.398 65 V HA 0.665 5.016 4.120 0.040 -0.207 0.286 65 V C -0.754 175.411 176.094 0.117 0.000 1.026 65 V CA -1.789 60.564 62.300 0.089 0.000 0.868 65 V CB 2.010 33.887 31.823 0.089 0.000 0.982 65 V HN 0.688 8.961 8.190 0.138 0.000 0.443 66 T N 9.853 124.422 114.554 0.026 0.000 2.779 66 T HA 0.485 4.993 4.350 0.006 -0.154 0.280 66 T C -1.370 173.282 174.700 -0.080 0.000 0.987 66 T CA -0.261 61.822 62.100 -0.029 0.000 0.966 66 T CB 1.374 70.182 68.868 -0.099 0.000 0.933 66 T HN 0.557 8.793 8.240 -0.006 0.000 0.442 67 V N 6.954 126.832 119.914 -0.059 0.000 2.540 67 V HA 0.503 4.729 4.120 -0.110 -0.172 0.302 67 V C -0.981 175.021 176.094 -0.154 0.000 1.035 67 V CA -2.096 60.155 62.300 -0.081 0.000 0.873 67 V CB 3.213 35.063 31.823 0.045 0.000 0.992 67 V HN 0.784 8.962 8.190 -0.020 0.000 0.428 68 H N 7.657 126.678 119.070 -0.082 0.000 2.764 68 H HA 0.079 4.619 4.556 -0.026 0.000 0.341 68 H C 0.095 175.383 175.328 -0.067 0.000 1.072 68 H CA 1.893 57.910 56.048 -0.053 0.000 1.444 68 H CB 0.759 30.504 29.762 -0.028 0.000 1.458 68 H HN -0.151 8.095 8.280 -0.057 0.000 0.572 69 R N 2.491 123.046 120.500 0.090 0.000 2.148 69 R HA -0.193 4.132 4.340 -0.025 0.000 0.223 69 R C 0.855 177.156 176.300 0.000 0.000 1.088 69 R CA 2.867 58.978 56.100 0.018 0.000 0.985 69 R CB 0.335 30.650 30.300 0.026 0.000 0.880 69 R HN 0.123 8.462 8.270 0.115 0.000 0.451 70 D N -2.173 118.258 120.400 0.052 0.000 2.767 70 D HA -0.037 4.610 4.640 0.010 0.000 0.231 70 D C 0.276 176.558 176.300 -0.029 0.000 1.105 70 D CA -0.999 53.012 54.000 0.018 0.000 1.024 70 D CB -2.245 38.567 40.800 0.019 0.000 1.123 70 D HN -0.017 8.419 8.370 0.109 0.000 0.470 71 L N 0.063 121.161 121.223 -0.207 0.000 2.156 71 L HA -0.067 4.130 4.340 -0.240 0.000 0.208 71 L C 0.114 176.649 176.870 -0.560 0.000 1.095 71 L CA 2.434 56.996 54.840 -0.462 0.000 0.770 71 L CB 0.468 42.022 42.059 -0.842 0.000 0.914 71 L HN -0.569 7.473 8.230 -0.236 0.046 0.439 72 F N -4.441 115.495 119.950 -0.023 0.000 2.678 72 F HA 0.150 4.675 4.527 -0.003 0.000 0.305 72 F C 0.031 175.820 175.800 -0.018 0.000 1.090 72 F CA -0.965 57.024 58.000 -0.019 0.000 1.272 72 F CB -0.250 38.727 39.000 -0.038 0.000 1.060 72 F HN -0.641 7.527 8.300 -0.220 0.000 0.576 73 G N 0.650 109.499 108.800 0.081 0.000 2.379 73 G HA2 -0.338 3.612 3.960 -0.017 0.000 0.297 73 G HA3 -0.338 3.606 3.960 -0.027 0.000 0.297 73 G C 0.956 175.882 174.900 0.043 0.000 1.004 73 G CA 1.262 46.370 45.100 0.015 0.000 0.921 73 G HN -0.419 7.720 8.290 0.035 0.172 0.511 74 T N -2.131 112.480 114.554 0.095 0.000 3.148 74 T HA -0.153 4.226 4.350 0.050 0.000 0.253 74 T C 1.394 176.119 174.700 0.042 0.000 1.134 74 T CA -0.486 61.656 62.100 0.069 0.000 1.051 74 T CB 0.512 69.430 68.868 0.084 0.000 0.959 74 T HN -0.262 8.041 8.240 0.142 0.022 0.525 75 G N 2.319 111.139 108.800 0.033 0.000 2.268 75 G HA2 -0.337 3.629 3.960 0.010 0.000 0.240 75 G HA3 -0.337 3.633 3.960 0.017 0.000 0.240 75 G C -0.861 174.060 174.900 0.034 0.000 1.010 75 G CA -0.311 44.801 45.100 0.021 0.000 0.618 75 G HN -0.088 8.153 8.290 0.032 0.068 0.516 76 R N 1.684 122.216 120.500 0.052 0.000 2.265 76 R HA 0.138 4.508 4.340 0.050 0.000 0.319 76 R C -0.706 175.637 176.300 0.071 0.000 1.006 76 R CA -0.888 55.248 56.100 0.061 0.000 0.880 76 R CB 0.762 31.104 30.300 0.071 0.000 1.077 76 R HN -0.497 7.721 8.270 0.061 0.088 0.454 77 L N 3.256 124.514 121.223 0.059 0.000 2.380 77 L HA 0.029 4.545 4.340 0.047 -0.148 0.273 77 L C 1.300 178.214 176.870 0.073 0.000 1.138 77 L CA -0.391 54.482 54.840 0.055 0.000 0.832 77 L CB 0.564 42.651 42.059 0.046 0.000 1.124 77 L HN 0.228 8.489 8.230 0.053 0.000 0.454 78 I N -1.962 118.646 120.570 0.063 0.000 2.882 78 I HA 0.170 4.440 4.170 0.167 0.000 0.286 78 I C -0.978 175.209 176.117 0.117 0.000 1.139 78 I CA -0.682 60.685 61.300 0.112 0.000 1.379 78 I CB 0.855 38.876 38.000 0.036 0.000 1.410 78 I HN -0.131 8.096 8.210 0.028 0.000 0.594 79 N N 2.841 121.645 118.700 0.173 0.000 2.497 79 N HA -0.018 4.778 4.740 0.094 0.000 0.271 79 N C 1.145 176.730 175.510 0.125 0.000 1.142 79 N CA 0.191 53.319 53.050 0.131 0.000 0.965 79 N CB 1.060 39.631 38.487 0.140 0.000 1.077 79 N HN -0.096 8.545 8.380 0.236 -0.120 0.462 80 A N 7.412 130.263 122.820 0.053 0.000 1.917 80 A HA -0.281 4.023 4.320 -0.026 0.000 0.219 80 A C 1.533 179.180 177.584 0.106 0.000 1.182 80 A CA 3.078 55.104 52.037 -0.018 0.000 0.633 80 A CB -0.368 18.515 19.000 -0.196 0.000 0.819 80 A HN 0.637 8.806 8.150 0.031 0.000 0.448 81 A N -5.497 117.420 122.820 0.161 0.000 2.172 81 A HA -0.165 4.331 4.320 0.293 0.000 0.216 81 A C 0.306 178.010 177.584 0.199 0.000 1.154 81 A CA 1.856 54.021 52.037 0.215 0.000 0.701 81 A CB -0.698 18.396 19.000 0.157 0.000 0.789 81 A HN 0.086 8.314 8.150 0.131 0.000 0.465 82 D N -3.706 116.817 120.400 0.204 0.000 2.363 82 D HA -0.026 4.694 4.640 0.132 0.000 0.220 82 D C -0.782 175.683 176.300 0.274 0.000 0.994 82 D CA 1.270 55.392 54.000 0.205 0.000 0.890 82 D CB 0.191 41.150 40.800 0.264 0.000 0.906 82 D HN -0.530 7.801 8.370 0.205 0.162 0.530 83 L N -2.324 119.092 121.223 0.322 0.000 2.309 83 L HA 0.723 5.472 4.340 0.290 -0.235 0.282 83 L C -0.563 176.547 176.870 0.399 0.000 1.036 83 L CA -0.853 54.200 54.840 0.355 0.000 0.806 83 L CB 1.801 44.123 42.059 0.438 0.000 1.220 83 L HN -0.690 7.680 8.230 0.317 0.050 0.429 84 T N -2.664 111.977 114.554 0.145 0.000 2.841 84 T HA 0.585 5.248 4.350 0.331 -0.114 0.296 84 T C -1.979 172.536 174.700 -0.308 0.000 1.166 84 T CA -2.560 59.585 62.100 0.075 0.000 1.007 84 T CB 3.404 72.332 68.868 0.101 0.000 1.253 84 T HN -0.006 8.268 8.240 0.056 0.000 0.511 85 L N 2.159 123.237 121.223 -0.241 0.000 2.333 85 L HA 0.518 4.759 4.340 -0.381 -0.129 0.280 85 L C -0.455 176.366 176.870 -0.081 0.000 1.004 85 L CA -1.053 53.619 54.840 -0.280 0.000 0.820 85 L CB 2.744 44.660 42.059 -0.240 0.000 1.247 85 L HN -0.245 7.958 8.230 -0.044 0.000 0.416 86 G N 6.251 115.017 108.800 -0.058 0.000 2.888 86 G HA2 -0.359 3.619 3.960 0.030 0.000 0.441 86 G HA3 -0.359 3.788 3.960 0.007 -0.182 0.441 86 G C -2.120 172.792 174.900 0.020 0.000 1.461 86 G CA -0.282 44.821 45.100 0.005 0.000 0.897 86 G HN 0.926 9.060 8.290 -0.081 0.107 0.547 87 P HA -0.211 4.237 4.420 0.047 0.000 0.223 87 P C -0.589 176.703 177.300 -0.013 0.000 1.144 87 P CA 1.761 64.865 63.100 0.006 0.000 0.783 87 P CB 0.164 31.799 31.700 -0.107 0.000 0.771 88 A N -5.219 117.594 122.820 -0.011 0.000 2.169 88 A HA 0.036 4.348 4.320 -0.012 0.000 0.212 88 A C -0.207 177.385 177.584 0.013 0.000 1.153 88 A CA -0.157 51.877 52.037 -0.004 0.000 0.756 88 A CB 0.083 19.082 19.000 -0.001 0.000 0.813 88 A HN -0.716 7.377 8.150 -0.008 0.053 0.471 89 A N -2.514 120.318 122.820 0.020 0.000 2.578 89 A HA -0.339 4.001 4.320 0.034 0.000 0.298 89 A C -0.795 176.825 177.584 0.061 0.000 1.472 89 A CA 0.394 52.453 52.037 0.037 0.000 0.734 89 A CB -2.566 16.457 19.000 0.038 0.000 1.091 89 A HN -0.413 7.584 8.150 0.015 0.162 0.426 90 c N -0.544 118.100 118.600 0.072 0.000 2.644 90 c HA -0.061 4.554 4.570 0.074 0.000 0.417 90 c C 0.521 174.730 174.090 0.198 0.000 1.304 90 c CA 0.115 56.507 56.329 0.105 0.000 2.035 90 c CB 0.607 43.180 42.510 0.105 0.000 2.673 90 c HN -0.397 7.866 8.230 0.055 0.000 0.602 91 K N 2.706 123.181 120.400 0.124 0.000 2.180 91 K HA -0.001 4.423 4.320 0.174 0.000 0.251 91 K C 0.341 176.979 176.600 0.063 0.000 1.014 91 K CA -0.144 56.189 56.287 0.078 0.000 0.913 91 K CB 0.624 33.055 32.500 -0.115 0.000 1.008 91 K HN 0.147 8.437 8.250 0.066 0.000 0.490 92 H N -2.081 116.937 119.070 -0.087 0.000 2.757 92 H HA 0.018 3.970 4.556 -1.007 0.000 0.370 92 H C -0.165 174.984 175.328 -0.298 0.000 1.172 92 H CA -0.305 55.364 56.048 -0.631 0.000 1.426 92 H CB 0.448 29.665 29.762 -0.909 0.000 1.438 92 H HN 0.167 8.329 8.280 -0.197 0.000 0.612 93 S N 0.146 115.741 115.700 -0.176 0.000 2.497 93 S HA 0.061 4.471 4.470 -0.099 0.000 0.221 93 S C 0.057 174.641 174.600 -0.026 0.000 1.037 93 S CA 0.214 58.363 58.200 -0.085 0.000 0.920 93 S CB 1.082 64.254 63.200 -0.046 0.000 0.800 93 S HN 0.435 8.589 8.310 -0.260 0.000 0.505 94 S N -0.427 115.274 115.700 0.001 0.000 2.611 94 S HA 0.175 4.674 4.470 0.047 0.000 0.268 94 S C -2.630 171.936 174.600 -0.058 0.000 1.156 94 S CA -0.348 57.857 58.200 0.009 0.000 0.817 94 S CB 1.736 64.918 63.200 -0.030 0.000 1.122 94 S HN -0.645 7.634 8.310 -0.051 0.000 0.466 95 L N -4.590 116.594 121.223 -0.066 0.000 2.424 95 L HA 0.523 4.851 4.340 -0.148 -0.077 0.258 95 L C -1.603 175.223 176.870 -0.074 0.000 0.995 95 L CA -0.379 54.387 54.840 -0.122 0.000 0.821 95 L CB 2.706 44.644 42.059 -0.202 0.000 1.383 95 L HN -0.005 8.205 8.230 -0.033 0.000 0.410 96 N N 1.225 119.882 118.700 -0.071 0.000 2.518 96 N HA 0.211 4.925 4.740 -0.044 0.000 0.254 96 N C 0.089 175.575 175.510 -0.040 0.000 0.979 96 N CA -1.288 51.734 53.050 -0.047 0.000 0.930 96 N CB 2.018 40.485 38.487 -0.035 0.000 1.152 96 N HN -0.176 8.153 8.380 -0.084 0.000 0.505 97 A N 4.787 127.582 122.820 -0.042 0.000 2.209 97 A HA -0.117 4.187 4.320 -0.027 0.000 0.212 97 A C 0.117 177.667 177.584 -0.056 0.000 1.158 97 A CA 1.383 53.398 52.037 -0.037 0.000 0.742 97 A CB -0.332 18.648 19.000 -0.033 0.000 0.790 97 A HN 0.667 8.792 8.150 -0.042 0.000 0.472 98 A N -1.982 120.781 122.820 -0.095 0.000 1.898 98 A HA -0.200 3.998 4.320 -0.203 0.000 0.216 98 A C 1.005 178.372 177.584 -0.362 0.000 1.181 98 A CA 2.289 54.190 52.037 -0.227 0.000 0.620 98 A CB 0.322 19.166 19.000 -0.260 0.000 0.819 98 A HN -0.586 7.663 8.150 -0.080 -0.146 0.442 99 H N -5.494 113.598 119.070 0.038 0.000 2.767 99 H HA 0.153 4.754 4.556 0.075 0.000 0.260 99 H C -1.428 173.962 175.328 0.103 0.000 1.172 99 H CA -0.660 55.438 56.048 0.084 0.000 1.048 99 H CB 0.645 30.487 29.762 0.133 0.000 1.697 99 H HN -0.389 7.901 8.280 0.017 0.000 0.606 100 N N -1.575 117.197 118.700 0.120 0.000 2.641 100 N HA -0.391 4.424 4.740 0.028 -0.058 0.267 100 N C -1.644 173.908 175.510 0.069 0.000 1.087 100 N CA 1.326 54.421 53.050 0.076 0.000 0.731 100 N CB -1.597 36.940 38.487 0.084 0.000 0.886 100 N HN -0.217 8.088 8.380 0.061 0.112 0.547 101 T N -6.141 108.411 114.554 -0.003 0.000 2.942 101 T HA 0.848 5.283 4.350 -0.097 -0.143 0.289 101 T C -1.018 173.607 174.700 -0.124 0.000 1.044 101 T CA -2.439 59.604 62.100 -0.096 0.000 1.023 101 T CB 3.909 72.666 68.868 -0.184 0.000 1.123 101 T HN -0.537 7.698 8.240 -0.008 0.000 0.512 102 V N 1.254 121.082 119.914 -0.144 0.000 2.638 102 V HA 0.382 4.452 4.120 -0.275 -0.116 0.306 102 V C -1.494 174.487 176.094 -0.188 0.000 1.052 102 V CA -1.269 60.896 62.300 -0.224 0.000 0.885 102 V CB 3.508 35.186 31.823 -0.241 0.000 0.999 102 V HN 0.430 8.544 8.190 -0.127 0.000 0.424 103 T N 7.948 122.344 114.554 -0.263 0.000 2.855 103 T HA 0.816 5.340 4.350 -0.027 -0.190 0.281 103 T C -1.097 173.407 174.700 -0.327 0.000 1.007 103 T CA -0.936 61.070 62.100 -0.157 0.000 1.009 103 T CB 2.203 71.021 68.868 -0.083 0.000 0.983 103 T HN 0.371 8.438 8.240 -0.288 0.000 0.455 104 F N 4.495 124.461 119.950 0.027 0.000 2.520 104 F HA 0.366 4.929 4.527 0.060 0.000 0.322 104 F C -2.126 173.684 175.800 0.017 0.000 1.103 104 F CA -1.361 56.663 58.000 0.040 0.000 0.926 104 F CB 3.505 42.529 39.000 0.041 0.000 1.154 104 F HN 0.650 9.132 8.300 0.304 0.000 0.453 105 A N 1.936 124.854 122.820 0.164 0.000 2.381 105 A HA 0.989 5.557 4.320 0.093 -0.193 0.299 105 A C -1.930 175.701 177.584 0.078 0.000 1.049 105 A CA -1.005 51.087 52.037 0.093 0.000 0.715 105 A CB 2.260 21.287 19.000 0.045 0.000 1.222 105 A HN 0.307 8.548 8.150 0.151 0.000 0.428 106 A N 3.460 126.313 122.820 0.055 0.000 2.574 106 A HA 0.363 4.704 4.320 0.035 0.000 0.297 106 A C -1.748 175.835 177.584 -0.001 0.000 1.062 106 A CA -0.782 51.276 52.037 0.035 0.000 0.686 106 A CB 3.515 22.544 19.000 0.049 0.000 1.285 106 A HN 0.171 8.349 8.150 0.047 0.000 0.403 107 G N -1.256 107.541 108.800 -0.006 0.000 2.559 107 G HA2 0.053 4.139 3.960 -0.053 0.000 0.235 107 G HA3 0.053 4.007 3.960 -0.010 0.000 0.235 107 G C 1.068 175.915 174.900 -0.087 0.000 1.266 107 G CA -0.305 44.774 45.100 -0.035 0.000 0.847 107 G HN -0.016 8.573 8.290 0.007 -0.295 0.583 108 L N 1.574 122.661 121.223 -0.227 0.000 2.450 108 L HA -0.233 3.881 4.340 -0.378 0.000 0.224 108 L C 0.855 177.478 176.870 -0.412 0.000 1.149 108 L CA 2.090 56.638 54.840 -0.486 0.000 0.816 108 L CB -0.292 41.146 42.059 -1.034 0.000 0.932 108 L HN -0.320 7.769 8.230 -0.235 0.000 0.449 109 H N -6.582 112.463 119.070 -0.041 0.000 2.893 109 H HA 0.384 5.011 4.556 0.119 0.000 0.270 109 H C 0.252 175.598 175.328 0.031 0.000 1.095 109 H CA -0.503 55.575 56.048 0.050 0.000 1.186 109 H CB 0.651 30.442 29.762 0.048 0.000 1.562 109 H HN -0.014 8.213 8.280 0.013 0.061 0.536 110 E N 0.324 120.583 120.200 0.098 0.000 2.342 110 E HA 0.159 4.550 4.350 0.069 0.000 0.257 110 E C 0.137 176.765 176.600 0.047 0.000 1.150 110 E CA -0.225 56.213 56.400 0.064 0.000 0.926 110 E CB 1.396 31.121 29.700 0.043 0.000 1.074 110 E HN -0.629 7.652 8.360 0.059 0.114 0.449 111 c N -3.190 115.430 118.600 0.034 0.000 4.326 111 c HA -0.243 4.338 4.570 0.019 0.000 0.284 111 c C 0.575 174.672 174.090 0.010 0.000 1.419 111 c CA 0.175 56.518 56.329 0.023 0.000 1.920 111 c CB -2.333 40.195 42.510 0.030 0.000 1.306 111 c HN 0.877 9.126 8.230 0.032 0.000 0.786 112 G N -2.819 105.985 108.800 0.007 0.000 2.137 112 G HA2 -0.434 3.501 3.960 -0.041 0.000 0.237 112 G HA3 -0.434 3.487 3.960 -0.065 0.000 0.237 112 G C -0.533 174.365 174.900 -0.003 0.000 1.002 112 G CA -0.185 44.896 45.100 -0.032 0.000 0.702 112 G HN 0.432 8.688 8.290 0.020 0.046 0.515 113 S N -0.460 115.271 115.700 0.052 0.000 2.596 113 S HA -0.027 4.629 4.470 0.095 -0.129 0.260 113 S C -0.022 174.641 174.600 0.106 0.000 1.336 113 S CA 0.070 58.325 58.200 0.092 0.000 0.993 113 S CB 1.830 65.099 63.200 0.114 0.000 0.923 113 S HN -0.724 7.621 8.310 0.057 0.000 0.567 114 V N 1.133 121.116 119.914 0.115 0.000 2.577 114 V HA 0.212 4.388 4.120 0.092 0.000 0.303 114 V C -1.801 174.296 176.094 0.006 0.000 1.042 114 V CA -0.851 61.504 62.300 0.092 0.000 0.872 114 V CB 3.055 34.968 31.823 0.151 0.000 0.998 114 V HN -0.100 8.159 8.190 0.116 0.000 0.423 115 V N 6.968 126.853 119.914 -0.048 0.000 2.483 115 V HA 0.613 4.698 4.120 -0.400 -0.205 0.295 115 V C -1.438 174.565 176.094 -0.152 0.000 1.035 115 V CA -2.690 59.451 62.300 -0.265 0.000 0.896 115 V CB 1.569 33.150 31.823 -0.403 0.000 0.986 115 V HN 0.255 8.450 8.190 0.009 0.000 0.447 116 Q N 8.966 128.651 119.800 -0.190 0.000 2.316 116 Q HA 0.328 4.650 4.340 -0.029 0.000 0.264 116 Q C -1.827 174.105 176.000 -0.113 0.000 0.987 116 Q CA -1.601 54.150 55.803 -0.086 0.000 0.852 116 Q CB 3.310 32.025 28.738 -0.038 0.000 1.287 116 Q HN 0.405 8.515 8.270 -0.268 0.000 0.448 117 V N 8.710 128.596 119.914 -0.047 0.000 2.311 117 V HA 0.291 4.376 4.120 -0.058 0.000 0.275 117 V C -0.442 175.651 176.094 -0.002 0.000 1.022 117 V CA -1.068 61.212 62.300 -0.033 0.000 0.830 117 V CB 0.253 32.071 31.823 -0.008 0.000 1.012 117 V HN 0.508 8.691 8.190 -0.012 0.000 0.452 118 T N 3.893 118.445 114.554 -0.003 0.000 2.897 118 T HA 0.527 4.892 4.350 0.026 0.000 0.278 118 T C -0.696 174.017 174.700 0.023 0.000 0.981 118 T CA -3.248 58.862 62.100 0.018 0.000 0.973 118 T CB 0.060 68.941 68.868 0.022 0.000 1.092 118 T HN 0.026 8.256 8.240 -0.017 0.000 0.543 119 P HA -0.113 4.323 4.420 0.028 0.000 0.216 119 P C -0.479 176.841 177.300 0.033 0.000 1.150 119 P CA 2.360 65.478 63.100 0.030 0.000 0.843 119 P CB 0.020 31.738 31.700 0.031 0.000 0.787 120 D N -8.803 111.619 120.400 0.038 0.000 2.527 120 D HA 0.067 4.733 4.640 0.043 0.000 0.224 120 D C -1.057 175.276 176.300 0.054 0.000 1.217 120 D CA -0.810 53.217 54.000 0.044 0.000 0.819 120 D CB 1.297 42.123 40.800 0.044 0.000 1.061 120 D HN 0.030 8.410 8.370 0.038 0.013 0.515 121 T N -4.631 109.951 114.554 0.046 0.000 2.868 121 T HA 0.546 5.059 4.350 0.079 -0.116 0.306 121 T C -2.051 172.660 174.700 0.018 0.000 1.224 121 T CA -1.555 60.577 62.100 0.053 0.000 1.012 121 T CB 3.460 72.364 68.868 0.060 0.000 1.221 121 T HN -0.675 7.586 8.240 0.036 0.000 0.499 122 L N 1.055 122.303 121.223 0.042 0.000 2.333 122 L HA 0.597 5.011 4.340 -0.110 -0.140 0.280 122 L C -1.651 175.166 176.870 -0.089 0.000 1.004 122 L CA -1.167 53.651 54.840 -0.037 0.000 0.820 122 L CB 2.950 45.040 42.059 0.052 0.000 1.247 122 L HN 0.558 8.854 8.230 0.111 0.000 0.416 123 I N 1.916 122.316 120.570 -0.283 0.000 2.382 123 I HA 0.534 4.730 4.170 -0.296 -0.204 0.286 123 I C -1.093 174.824 176.117 -0.333 0.000 1.002 123 I CA -1.347 59.754 61.300 -0.331 0.000 1.135 123 I CB 2.155 39.901 38.000 -0.424 0.000 1.288 123 I HN 0.298 8.324 8.210 -0.308 0.000 0.448 124 Y N 7.255 127.527 120.300 -0.048 0.000 2.328 124 Y HA 0.323 4.996 4.550 -0.045 -0.150 0.337 124 Y C -0.912 174.961 175.900 -0.045 0.000 1.008 124 Y CA -1.140 56.940 58.100 -0.032 0.000 1.129 124 Y CB 1.836 40.296 38.460 -0.000 0.000 1.185 124 Y HN 0.541 8.982 8.280 0.269 0.000 0.476 125 R N 3.407 123.945 120.500 0.063 0.000 2.561 125 R HA 0.894 5.421 4.340 0.001 -0.186 0.297 125 R C -0.836 175.496 176.300 0.054 0.000 0.969 125 R CA -1.011 55.089 56.100 0.000 0.000 0.879 125 R CB 3.951 34.169 30.300 -0.137 0.000 1.178 125 R HN 0.431 8.735 8.270 0.057 0.000 0.445 126 T N 2.188 116.768 114.554 0.042 0.000 2.612 126 T HA 0.348 4.763 4.350 0.109 0.000 0.296 126 T C -2.650 172.072 174.700 0.037 0.000 1.148 126 T CA -2.146 59.993 62.100 0.064 0.000 1.077 126 T CB 1.388 70.287 68.868 0.051 0.000 1.591 126 T HN 0.383 8.636 8.240 0.021 0.000 0.479 127 L N -4.563 116.674 121.223 0.023 0.000 2.671 127 L HA 0.805 5.273 4.340 -0.012 -0.136 0.259 127 L C -2.118 174.715 176.870 -0.061 0.000 1.021 127 L CA -0.650 54.189 54.840 -0.003 0.000 0.871 127 L CB 3.517 45.596 42.059 0.034 0.000 1.472 127 L HN 0.122 8.365 8.230 0.021 0.000 0.410 128 I N -0.271 120.251 120.570 -0.079 0.000 2.336 128 I HA 0.480 4.667 4.170 -0.239 -0.161 0.292 128 I C -0.637 175.460 176.117 -0.034 0.000 0.991 128 I CA -2.654 58.560 61.300 -0.143 0.000 1.227 128 I CB 0.054 37.957 38.000 -0.161 0.000 1.366 128 I HN 0.178 8.357 8.210 -0.052 0.000 0.466 129 N N 7.622 126.308 118.700 -0.024 0.000 2.438 129 N HA 0.233 5.026 4.740 0.088 0.000 0.282 129 N C -1.437 174.168 175.510 0.158 0.000 1.037 129 N CA -0.859 52.231 53.050 0.066 0.000 0.942 129 N CB 2.002 40.517 38.487 0.046 0.000 1.136 129 N HN 0.092 8.424 8.380 -0.079 0.000 0.481 130 Y N 5.909 126.253 120.300 0.073 0.000 2.334 130 Y HA 0.365 5.152 4.550 0.107 -0.173 0.336 130 Y C -2.137 173.827 175.900 0.107 0.000 0.960 130 Y CA -1.860 56.308 58.100 0.113 0.000 1.164 130 Y CB 1.991 40.561 38.460 0.183 0.000 1.155 130 Y HN 0.154 8.604 8.280 0.283 0.000 0.478 131 D N 9.429 129.659 120.400 -0.282 0.000 2.446 131 D HA 0.374 4.809 4.640 -0.341 0.000 0.251 131 D C -2.647 173.400 176.300 -0.422 0.000 1.137 131 D CA -2.424 51.382 54.000 -0.324 0.000 0.890 131 D CB 1.252 41.992 40.800 -0.101 0.000 1.071 131 D HN 0.179 8.481 8.370 -0.113 0.000 0.528 132 P HA -0.077 4.163 4.420 -0.300 0.000 0.267 132 P C -0.309 176.913 177.300 -0.130 0.000 1.200 132 P CA 0.000 62.890 63.100 -0.350 0.000 0.772 132 P CB 0.582 32.126 31.700 -0.260 0.000 0.855 133 S N 4.445 120.123 115.700 -0.038 0.000 2.576 133 S HA 0.044 4.505 4.470 -0.015 0.000 0.276 133 S C -1.028 173.567 174.600 -0.008 0.000 1.339 133 S CA -1.358 56.837 58.200 -0.008 0.000 1.039 133 S CB -0.554 62.660 63.200 0.023 0.000 0.902 133 S HN 0.010 8.317 8.310 -0.004 0.000 0.516 134 P HA -0.099 4.317 4.420 -0.008 0.000 0.266 134 P C -0.935 176.368 177.300 0.006 0.000 1.193 134 P CA 0.250 63.348 63.100 -0.002 0.000 0.770 134 P CB 0.308 32.008 31.700 0.001 0.000 0.836 135 A N 3.275 126.098 122.820 0.005 0.000 2.462 135 A HA 0.023 4.351 4.320 0.013 0.000 0.243 135 A C 1.021 178.611 177.584 0.010 0.000 1.076 135 A CA 0.138 52.181 52.037 0.009 0.000 0.773 135 A CB 0.897 19.901 19.000 0.007 0.000 1.010 135 A HN 0.404 8.555 8.150 0.002 0.000 0.493 136 S N -0.328 115.379 115.700 0.013 0.000 2.389 136 S HA -0.272 4.205 4.470 0.012 0.000 0.231 136 S C 0.371 174.977 174.600 0.009 0.000 1.052 136 S CA 2.389 60.596 58.200 0.012 0.000 1.053 136 S CB 0.058 63.265 63.200 0.013 0.000 0.886 136 S HN 0.181 8.500 8.310 0.014 0.000 0.456 137 N N 0.140 118.845 118.700 0.009 0.000 2.437 137 N HA 0.340 5.084 4.740 0.007 0.000 0.259 137 N C -1.601 173.912 175.510 0.006 0.000 0.983 137 N CA -2.616 50.439 53.050 0.007 0.000 0.937 137 N CB 0.586 39.077 38.487 0.007 0.000 1.122 137 N HN -0.419 7.978 8.380 0.009 -0.012 0.499 138 P HA -0.070 4.352 4.420 0.004 0.000 0.220 138 P C 0.224 177.527 177.300 0.004 0.000 1.148 138 P CA 1.318 64.421 63.100 0.004 0.000 0.803 138 P CB 0.305 32.008 31.700 0.004 0.000 0.782 139 V N -6.389 113.527 119.914 0.004 0.000 2.594 139 V HA -0.226 3.896 4.120 0.004 0.000 0.253 139 V C -0.020 176.076 176.094 0.003 0.000 1.069 139 V CA 1.586 63.888 62.300 0.004 0.000 1.082 139 V CB 0.074 31.899 31.823 0.004 0.000 0.680 139 V HN -0.609 7.769 8.190 0.004 -0.186 0.469 140 I N -5.014 115.558 120.570 0.003 0.000 2.947 140 I HA 0.349 4.520 4.170 0.003 0.000 0.314 140 I C -1.646 174.472 176.117 0.002 0.000 1.028 140 I CA -1.260 60.041 61.300 0.003 0.000 1.077 140 I CB 2.258 40.260 38.000 0.004 0.000 1.274 140 I HN -0.709 7.475 8.210 0.004 0.028 0.485 141 I N 0.760 121.330 120.570 0.001 0.000 2.500 141 I HA 0.230 4.399 4.170 -0.002 0.000 0.286 141 I C -0.169 175.948 176.117 -0.000 0.000 1.063 141 I CA -0.065 61.234 61.300 -0.001 0.000 1.062 141 I CB 1.764 39.761 38.000 -0.004 0.000 1.223 141 I HN -0.060 8.151 8.210 0.001 0.000 0.435 142 R N 6.087 126.588 120.500 0.002 0.000 2.237 142 R HA 0.149 4.490 4.340 0.003 0.000 0.195 142 R C -0.439 175.863 176.300 0.004 0.000 0.956 142 R CA 0.497 56.600 56.100 0.005 0.000 1.029 142 R CB 0.897 31.205 30.300 0.013 0.000 0.972 142 R HN 0.428 8.700 8.270 0.003 0.000 0.493 143 T N 0.541 115.097 114.554 0.003 0.000 2.921 143 T HA 0.137 4.488 4.350 0.002 0.000 0.297 143 T C -1.572 173.121 174.700 -0.012 0.000 1.013 143 T CA -0.860 61.245 62.100 0.008 0.000 0.990 143 T CB 1.256 70.156 68.868 0.054 0.000 1.023 143 T HN -0.602 7.638 8.240 -0.001 0.000 0.447 144 N N 4.675 123.371 118.700 -0.007 0.000 2.524 144 N HA 0.263 4.993 4.740 -0.016 0.000 0.283 144 N C -2.049 173.462 175.510 0.003 0.000 1.142 144 N CA -1.470 51.577 53.050 -0.007 0.000 0.984 144 N CB 0.893 39.380 38.487 0.000 0.000 1.155 144 N HN 0.092 8.465 8.380 -0.011 0.000 0.467 145 P HA -0.044 4.435 4.420 -0.136 -0.140 0.269 145 P C -1.280 176.091 177.300 0.119 0.000 1.209 145 P CA 0.027 63.115 63.100 -0.021 0.000 0.776 145 P CB 0.784 32.471 31.700 -0.021 0.000 0.876 146 A N 1.853 124.824 122.820 0.252 0.000 2.387 146 A HA 0.384 4.829 4.320 0.208 0.000 0.303 146 A C -2.044 175.669 177.584 0.215 0.000 1.145 146 A CA -1.232 50.976 52.037 0.285 0.000 0.801 146 A CB 3.182 22.465 19.000 0.472 0.000 1.342 146 A HN 0.051 8.378 8.150 0.296 0.000 0.440 147 V N 0.004 120.017 119.914 0.166 0.000 2.777 147 V HA 0.602 4.964 4.120 0.110 -0.176 0.306 147 V C -1.216 174.931 176.094 0.089 0.000 1.112 147 V CA -1.159 61.209 62.300 0.113 0.000 0.917 147 V CB 3.596 35.471 31.823 0.088 0.000 1.018 147 V HN 0.185 8.474 8.190 0.165 0.000 0.426 148 I N 6.319 126.922 120.570 0.056 0.000 2.410 148 I HA 0.463 4.657 4.170 0.041 0.000 0.286 148 I C -2.208 173.915 176.117 0.011 0.000 1.009 148 I CA -3.293 58.026 61.300 0.030 0.000 1.111 148 I CB 2.885 40.888 38.000 0.006 0.000 1.262 148 I HN 0.512 8.750 8.210 0.046 0.000 0.443 149 P HA 0.089 4.509 4.420 -0.000 0.000 0.271 149 P C -1.438 175.857 177.300 -0.009 0.000 1.216 149 P CA -0.320 62.781 63.100 0.001 0.000 0.771 149 P CB 0.443 32.147 31.700 0.007 0.000 0.864 150 I N 4.274 124.837 120.570 -0.012 0.000 2.498 150 I HA 0.292 4.457 4.170 -0.009 0.000 0.290 150 I C -1.167 174.954 176.117 0.006 0.000 1.032 150 I CA -1.371 59.925 61.300 -0.007 0.000 1.073 150 I CB 4.171 42.165 38.000 -0.011 0.000 1.251 150 I HN 0.329 8.532 8.210 -0.012 0.000 0.426 151 E N 5.596 125.811 120.200 0.025 0.000 2.293 151 E HA 0.642 5.190 4.350 0.055 -0.164 0.270 151 E C -1.432 175.237 176.600 0.115 0.000 0.879 151 E CA -1.714 54.728 56.400 0.070 0.000 0.756 151 E CB 3.763 33.523 29.700 0.100 0.000 1.208 151 E HN 0.195 8.567 8.360 0.019 0.000 0.428 152 c N 3.113 121.813 118.600 0.166 0.000 2.481 152 c HA 0.419 5.019 4.570 0.051 0.000 0.324 152 c C -1.277 172.889 174.090 0.126 0.000 1.170 152 c CA -0.722 55.681 56.329 0.124 0.000 1.361 152 c CB 2.309 44.914 42.510 0.159 0.000 1.977 152 c HN 0.350 8.675 8.230 0.159 0.000 0.459 153 H N 4.468 123.396 119.070 -0.237 0.000 2.469 153 H HA 0.837 5.558 4.556 0.004 -0.163 0.342 153 H C -0.700 174.394 175.328 -0.390 0.000 1.115 153 H CA -1.211 54.742 56.048 -0.159 0.000 1.204 153 H CB 2.613 32.314 29.762 -0.103 0.000 1.492 153 H HN 0.267 8.542 8.280 -0.008 0.000 0.499 154 Y N 1.038 121.431 120.300 0.155 0.000 2.421 154 Y HA 0.264 4.881 4.550 0.112 0.000 0.339 154 Y C -2.248 173.706 175.900 0.091 0.000 0.996 154 Y CA -2.953 55.221 58.100 0.122 0.000 1.046 154 Y CB 2.947 41.492 38.460 0.141 0.000 1.226 154 Y HN 0.465 8.900 8.280 0.259 0.000 0.445 155 P HA 0.153 4.645 4.420 0.121 0.000 0.271 155 P C -0.469 176.912 177.300 0.136 0.000 1.216 155 P CA -0.519 62.666 63.100 0.141 0.000 0.776 155 P CB 0.624 32.388 31.700 0.108 0.000 0.881 156 R N 3.963 124.522 120.500 0.098 0.000 2.697 156 R HA 0.130 4.521 4.340 0.085 0.000 0.262 156 R C 0.364 176.702 176.300 0.063 0.000 1.255 156 R CA -0.074 56.072 56.100 0.078 0.000 1.136 156 R CB 0.822 31.157 30.300 0.059 0.000 1.169 156 R HN -0.005 8.317 8.270 0.087 0.000 0.594 168 T N -1.343 113.283 114.554 0.121 0.000 2.766 168 T HA 0.032 4.588 4.350 0.196 -0.087 0.295 168 T C -1.114 173.705 174.700 0.198 0.000 1.024 168 T CA -0.263 61.904 62.100 0.111 0.000 1.018 168 T CB 1.101 69.932 68.868 -0.061 0.000 1.002 168 T HN -0.236 8.048 8.240 0.073 0.000 0.532 169 W N -0.820 120.513 121.300 0.054 0.000 3.047 169 W HA 0.385 5.074 4.660 0.048 0.000 0.341 169 W C -3.045 173.520 176.519 0.077 0.000 1.225 169 W CA -2.050 55.327 57.345 0.052 0.000 1.150 169 W CB 1.376 30.853 29.460 0.028 0.000 1.470 169 W HN -0.061 7.879 8.180 -0.401 0.000 0.578 170 S N -1.442 114.475 115.700 0.361 0.000 2.500 170 S HA 0.522 5.059 4.470 0.111 0.000 0.301 170 S C -0.896 173.859 174.600 0.259 0.000 1.092 170 S CA -4.262 54.088 58.200 0.251 0.000 1.030 170 S CB 1.587 64.978 63.200 0.318 0.000 1.031 170 S HN 0.222 8.776 8.310 0.406 0.000 0.483 171 P HA 0.003 4.450 4.420 0.046 0.000 0.225 171 P C -0.661 176.419 177.300 -0.367 0.000 1.148 171 P CA 1.420 64.370 63.100 -0.249 0.000 0.779 171 P CB 0.152 31.494 31.700 -0.597 0.000 0.780 172 F N -5.062 114.969 119.950 0.134 0.000 2.220 172 F HA -0.098 4.484 4.527 0.091 0.000 0.290 172 F C 1.152 177.003 175.800 0.085 0.000 1.080 172 F CA 1.178 59.236 58.000 0.096 0.000 1.318 172 F CB -0.346 38.701 39.000 0.078 0.000 1.063 172 F HN -0.609 7.505 8.300 -0.225 0.050 0.498 173 N N -1.673 117.199 118.700 0.285 0.000 2.171 173 N HA -0.151 4.688 4.740 0.164 0.000 0.184 173 N C 0.277 175.860 175.510 0.122 0.000 1.021 173 N CA 1.372 54.530 53.050 0.180 0.000 0.854 173 N CB 0.993 39.580 38.487 0.166 0.000 0.994 173 N HN -0.477 8.106 8.380 0.338 0.000 0.426 174 S N -2.263 113.507 115.700 0.117 0.000 2.611 174 S HA 0.035 4.531 4.470 0.042 0.000 0.270 174 S C -2.090 172.524 174.600 0.024 0.000 1.131 174 S CA 0.025 58.261 58.200 0.061 0.000 0.826 174 S CB 0.722 63.953 63.200 0.052 0.000 1.095 174 S HN -0.714 7.684 8.310 0.146 0.000 0.461 175 A N 2.039 124.826 122.820 -0.054 0.000 3.216 175 A HA 0.430 4.829 4.320 -0.261 -0.235 0.321 175 A C -0.963 176.516 177.584 -0.174 0.000 1.042 175 A CA -0.644 51.288 52.037 -0.175 0.000 0.838 175 A CB 0.636 19.531 19.000 -0.176 0.000 1.136 175 A HN 0.259 8.383 8.150 -0.044 0.000 0.483 176 L N -0.088 121.041 121.223 -0.158 0.000 2.017 176 L HA -0.259 4.027 4.340 -0.088 0.000 0.208 176 L C 0.368 177.145 176.870 -0.154 0.000 1.073 176 L CA 1.752 56.520 54.840 -0.121 0.000 0.745 176 L CB -0.302 41.708 42.059 -0.082 0.000 0.894 176 L HN -0.329 7.911 8.230 -0.147 -0.099 0.432 177 S N -2.750 112.808 115.700 -0.236 0.000 2.584 177 S HA 0.033 4.408 4.470 -0.157 0.000 0.273 177 S C 1.310 175.771 174.600 -0.231 0.000 1.311 177 S CA -0.645 57.422 58.200 -0.222 0.000 1.034 177 S CB 0.587 63.630 63.200 -0.260 0.000 0.939 177 S HN -0.502 7.772 8.310 -0.310 -0.150 0.513 178 A N 6.425 129.150 122.820 -0.157 0.000 1.978 178 A HA -0.205 4.035 4.320 -0.133 0.000 0.220 178 A C 0.592 178.078 177.584 -0.162 0.000 1.170 178 A CA 2.606 54.562 52.037 -0.135 0.000 0.636 178 A CB -0.490 18.457 19.000 -0.088 0.000 0.810 178 A HN 0.679 8.753 8.150 -0.127 0.000 0.448 179 E N -3.274 116.821 120.200 -0.176 0.000 2.347 179 E HA -0.110 4.174 4.350 -0.110 0.000 0.196 179 E C 0.104 176.534 176.600 -0.283 0.000 1.008 179 E CA 1.017 57.320 56.400 -0.161 0.000 0.852 179 E CB -0.378 29.258 29.700 -0.106 0.000 0.783 179 E HN 0.354 8.582 8.360 -0.170 0.030 0.505 180 E N 0.515 120.382 120.200 -0.554 0.000 1.999 180 E HA -0.084 3.399 4.350 -1.444 0.000 0.296 180 E C -1.184 174.919 176.600 -0.828 0.000 1.187 180 E CA 0.101 55.762 56.400 -1.232 0.000 1.229 180 E CB -1.145 27.564 29.700 -1.650 0.000 1.131 180 E HN -0.710 7.185 8.360 -0.499 0.165 0.478 181 R N -0.062 120.244 120.500 -0.323 0.000 2.538 181 R HA 0.281 4.555 4.340 -0.110 0.000 0.292 181 R C -1.232 175.090 176.300 0.037 0.000 1.008 181 R CA -1.420 54.622 56.100 -0.098 0.000 0.896 181 R CB 1.625 31.873 30.300 -0.087 0.000 1.187 181 R HN -0.504 7.627 8.270 -0.182 0.030 0.440 182 L N 4.267 125.496 121.223 0.009 0.000 2.416 182 L HA 0.055 4.264 4.340 -0.217 0.000 0.272 182 L C 0.329 177.065 176.870 -0.223 0.000 1.161 182 L CA -0.339 54.378 54.840 -0.205 0.000 0.845 182 L CB 0.564 42.377 42.059 -0.409 0.000 1.119 182 L HN 0.280 8.524 8.230 0.024 0.000 0.464 183 V N 4.370 124.127 119.914 -0.262 0.000 2.328 183 V HA 0.122 4.217 4.120 -0.041 0.000 0.278 183 V C -1.085 174.868 176.094 -0.235 0.000 1.021 183 V CA -0.895 61.318 62.300 -0.145 0.000 0.838 183 V CB 0.722 32.515 31.823 -0.051 0.000 0.999 183 V HN -0.053 7.979 8.190 -0.264 0.000 0.447 184 F N 7.355 127.305 119.950 -0.001 0.000 2.371 184 F HA 0.337 5.020 4.527 0.013 -0.149 0.329 184 F C 0.147 175.963 175.800 0.026 0.000 1.107 184 F CA -0.304 57.702 58.000 0.011 0.000 1.137 184 F CB 1.873 40.874 39.000 0.002 0.000 1.214 184 F HN 0.342 8.800 8.300 0.264 0.000 0.536 185 S N -1.470 114.366 115.700 0.226 0.000 2.537 185 S HA 0.368 4.932 4.470 0.156 0.000 0.270 185 S C -2.105 172.592 174.600 0.162 0.000 1.142 185 S CA -0.965 57.330 58.200 0.158 0.000 0.870 185 S CB 2.652 65.912 63.200 0.101 0.000 1.112 185 S HN 0.091 8.544 8.310 0.238 0.000 0.466 186 L N 2.709 124.022 121.223 0.150 0.000 2.329 186 L HA 0.721 5.323 4.340 0.143 -0.176 0.279 186 L C 0.095 177.038 176.870 0.121 0.000 1.014 186 L CA -0.991 53.934 54.840 0.142 0.000 0.814 186 L CB 2.237 44.389 42.059 0.155 0.000 1.257 186 L HN 0.311 8.628 8.230 0.145 0.000 0.424 187 R N 1.604 122.159 120.500 0.091 0.000 2.686 187 R HA 0.301 4.703 4.340 0.103 0.000 0.286 187 R C -2.173 174.122 176.300 -0.008 0.000 0.969 187 R CA -1.657 54.488 56.100 0.074 0.000 0.898 187 R CB 3.400 33.753 30.300 0.088 0.000 1.183 187 R HN 0.213 8.533 8.270 0.084 0.000 0.456 188 L N 4.441 125.607 121.223 -0.094 0.000 2.260 188 L HA 0.316 4.646 4.340 -0.217 -0.120 0.289 188 L C -1.082 175.691 176.870 -0.160 0.000 1.057 188 L CA -0.083 54.623 54.840 -0.223 0.000 0.811 188 L CB 1.249 43.006 42.059 -0.502 0.000 1.184 188 L HN 0.465 8.651 8.230 -0.073 0.000 0.429 189 M N 4.767 124.246 119.600 -0.202 0.000 2.724 189 M HA 0.541 5.060 4.480 -0.120 -0.110 0.310 189 M C -0.563 175.530 176.300 -0.345 0.000 1.217 189 M CA -2.995 52.176 55.300 -0.216 0.000 0.894 189 M CB 3.183 35.688 32.600 -0.158 0.000 1.719 189 M HN 0.553 8.687 8.290 -0.260 0.000 0.479 190 S N 1.030 116.561 115.700 -0.281 0.000 2.614 190 S HA 0.023 4.344 4.470 -0.249 0.000 0.265 190 S C 1.155 175.485 174.600 -0.451 0.000 1.303 190 S CA -0.687 57.345 58.200 -0.279 0.000 1.000 190 S CB 0.997 64.099 63.200 -0.164 0.000 0.935 190 S HN 0.100 8.292 8.310 -0.197 0.000 0.551 191 D N 0.006 120.200 120.400 -0.342 0.000 2.203 191 D HA -0.267 4.115 4.640 -0.430 0.000 0.199 191 D C 0.533 176.618 176.300 -0.358 0.000 0.997 191 D CA 3.179 56.969 54.000 -0.349 0.000 0.863 191 D CB -0.456 40.240 40.800 -0.174 0.000 0.928 191 D HN 0.590 8.809 8.370 -0.251 0.000 0.458 192 D N -4.238 116.031 120.400 -0.218 0.000 2.339 192 D HA -0.134 4.539 4.640 0.055 0.000 0.217 192 D C 0.189 176.573 176.300 0.140 0.000 1.050 192 D CA -0.253 53.736 54.000 -0.019 0.000 0.856 192 D CB -0.693 40.115 40.800 0.014 0.000 0.922 192 D HN -0.004 8.215 8.370 -0.195 0.034 0.518 193 W N -4.738 116.556 121.300 -0.010 0.000 2.589 193 W HA -0.379 4.271 4.660 -0.017 0.000 0.272 193 W C -0.115 176.401 176.519 -0.006 0.000 1.060 193 W CA 1.158 58.496 57.345 -0.011 0.000 0.533 193 W CB -2.868 26.589 29.460 -0.006 0.000 2.084 193 W HN 0.112 7.892 8.180 -0.380 0.171 1.371 194 S N -2.923 112.865 115.700 0.146 0.000 2.355 194 S HA -0.226 4.313 4.470 0.115 0.000 0.222 194 S C 0.346 174.992 174.600 0.076 0.000 1.031 194 S CA 2.148 60.407 58.200 0.099 0.000 0.993 194 S CB 0.782 64.016 63.200 0.056 0.000 0.859 194 S HN -0.618 8.052 8.310 0.092 -0.305 0.453 195 T N -1.979 112.601 114.554 0.043 0.000 2.865 195 T HA 0.323 4.703 4.350 0.050 0.000 0.294 195 T C -2.090 172.619 174.700 0.015 0.000 1.119 195 T CA -2.065 60.055 62.100 0.034 0.000 1.007 195 T CB 2.601 71.481 68.868 0.020 0.000 1.225 195 T HN -0.781 7.471 8.240 0.020 0.000 0.515 196 E N 1.261 121.478 120.200 0.028 0.000 2.390 196 E HA -0.015 4.463 4.350 0.007 -0.124 0.261 196 E C -0.197 176.403 176.600 0.000 0.000 1.076 196 E CA 0.639 57.052 56.400 0.023 0.000 0.905 196 E CB 1.258 30.997 29.700 0.065 0.000 0.984 196 E HN 0.184 8.569 8.360 0.040 0.000 0.427 197 R N 4.812 125.296 120.500 -0.026 0.000 2.867 197 R HA 0.441 4.765 4.340 -0.026 0.000 0.268 197 R C -2.329 173.971 176.300 -0.001 0.000 1.014 197 R CA -2.613 53.462 56.100 -0.042 0.000 0.946 197 R CB 0.453 30.688 30.300 -0.108 0.000 1.208 197 R HN 0.179 8.422 8.270 -0.044 0.000 0.477 198 P HA -0.013 4.558 4.420 0.251 0.000 0.268 198 P C -0.485 176.892 177.300 0.128 0.000 1.208 198 P CA -0.434 62.736 63.100 0.116 0.000 0.777 198 P CB 0.330 32.039 31.700 0.014 0.000 0.875 199 F N -1.888 118.115 119.950 0.089 0.000 2.811 199 F HA 0.061 4.811 4.527 0.371 0.000 0.301 199 F C -0.121 175.836 175.800 0.262 0.000 1.151 199 F CA 0.379 58.512 58.000 0.221 0.000 1.412 199 F CB 0.006 39.065 39.000 0.098 0.000 1.113 199 F HN 0.185 8.878 8.300 0.656 0.000 0.579 200 T N -6.231 108.433 114.554 0.183 0.000 2.932 200 T HA 0.217 4.667 4.350 0.166 0.000 0.289 200 T C -0.305 174.258 174.700 -0.229 0.000 1.039 200 T CA -1.728 60.408 62.100 0.059 0.000 1.024 200 T CB 2.177 71.072 68.868 0.046 0.000 1.090 200 T HN -0.698 7.520 8.240 0.100 0.082 0.496 201 G N 1.200 109.906 108.800 -0.158 0.000 2.134 201 G HA2 -0.298 3.588 3.960 -0.124 0.000 0.209 201 G HA3 -0.298 3.489 3.960 -0.289 0.000 0.209 201 G C -0.524 174.194 174.900 -0.304 0.000 0.993 201 G CA -0.307 44.653 45.100 -0.233 0.000 0.669 201 G HN 0.341 8.615 8.290 -0.027 0.000 0.519 202 F N -0.239 119.682 119.950 -0.049 0.000 2.399 202 F HA 0.135 4.752 4.527 -0.073 -0.134 0.342 202 F C 0.028 175.795 175.800 -0.054 0.000 1.106 202 F CA -0.528 57.431 58.000 -0.068 0.000 1.196 202 F CB 1.017 39.961 39.000 -0.093 0.000 1.163 202 F HN -0.503 7.840 8.300 0.072 0.000 0.547 203 Q N 0.725 120.607 119.800 0.137 0.000 2.433 203 Q HA 0.213 4.590 4.340 0.061 0.000 0.279 203 Q C -0.907 175.128 176.000 0.058 0.000 1.105 203 Q CA -1.756 54.088 55.803 0.068 0.000 0.815 203 Q CB 2.914 31.668 28.738 0.027 0.000 1.403 203 Q HN 0.276 8.893 8.270 0.144 -0.261 0.435 204 L N 0.526 121.767 121.223 0.030 0.000 2.540 204 L HA -0.373 3.977 4.340 0.017 0.000 0.276 204 L C 1.478 178.361 176.870 0.022 0.000 1.212 204 L CA 1.913 56.765 54.840 0.020 0.000 0.893 204 L CB -0.687 41.381 42.059 0.014 0.000 1.138 204 L HN 0.366 8.611 8.230 0.026 0.000 0.491 205 G N 4.093 112.907 108.800 0.023 0.000 2.232 205 G HA2 -0.380 3.591 3.960 0.019 0.000 0.226 205 G HA3 -0.380 3.589 3.960 0.016 0.000 0.226 205 G C -0.215 174.700 174.900 0.025 0.000 0.996 205 G CA -0.366 44.747 45.100 0.020 0.000 0.626 205 G HN 0.512 8.817 8.290 0.025 0.000 0.509 206 D N 1.157 121.582 120.400 0.041 0.000 2.383 206 D HA 0.193 4.854 4.640 0.036 0.000 0.248 206 D C -1.463 174.867 176.300 0.050 0.000 1.170 206 D CA 0.151 54.187 54.000 0.060 0.000 0.977 206 D CB 1.176 42.058 40.800 0.137 0.000 1.120 206 D HN -0.380 7.952 8.370 0.048 0.067 0.481 207 I N -1.354 119.243 120.570 0.045 0.000 2.466 207 I HA 0.365 4.665 4.170 0.002 -0.128 0.289 207 I C -0.595 175.510 176.117 -0.020 0.000 1.026 207 I CA -1.010 60.294 61.300 0.006 0.000 1.078 207 I CB 2.174 40.172 38.000 -0.003 0.000 1.249 207 I HN 0.178 8.418 8.210 0.050 0.000 0.429 208 L N 7.365 128.535 121.223 -0.087 0.000 2.315 208 L HA 0.104 4.354 4.340 -0.150 0.000 0.283 208 L C -1.140 175.624 176.870 -0.177 0.000 1.089 208 L CA -0.552 54.185 54.840 -0.171 0.000 0.833 208 L CB 0.332 42.233 42.059 -0.264 0.000 1.170 208 L HN 0.496 8.673 8.230 -0.089 0.000 0.442 209 N N 5.491 124.019 118.700 -0.288 0.000 2.500 209 N HA 0.240 4.936 4.740 -0.269 -0.117 0.236 209 N C -1.142 174.167 175.510 -0.336 0.000 1.022 209 N CA -0.633 52.141 53.050 -0.461 0.000 0.935 209 N CB 0.186 37.999 38.487 -1.125 0.000 1.147 209 N HN 0.444 8.651 8.380 -0.289 0.000 0.512 210 I N 3.726 124.130 120.570 -0.276 0.000 2.359 210 I HA 0.348 4.544 4.170 -0.219 -0.157 0.294 210 I C -1.693 174.317 176.117 -0.178 0.000 0.987 210 I CA -0.744 60.334 61.300 -0.371 0.000 1.225 210 I CB 1.929 39.462 38.000 -0.778 0.000 1.366 210 I HN 0.479 8.485 8.210 -0.340 0.000 0.466 211 Q N 7.903 127.730 119.800 0.045 0.000 2.348 211 Q HA 0.443 4.829 4.340 0.077 0.000 0.265 211 Q C -1.997 174.065 176.000 0.103 0.000 0.998 211 Q CA -1.788 54.084 55.803 0.116 0.000 0.831 211 Q CB 3.141 32.006 28.738 0.212 0.000 1.251 211 Q HN 0.315 8.609 8.270 0.039 0.000 0.456 212 A N 7.488 130.401 122.820 0.155 0.000 2.301 212 A HA 0.777 5.376 4.320 0.196 -0.162 0.312 212 A C -1.594 176.082 177.584 0.153 0.000 1.182 212 A CA -1.752 50.408 52.037 0.206 0.000 0.826 212 A CB 2.174 21.363 19.000 0.315 0.000 1.134 212 A HN 0.674 8.928 8.150 0.172 0.000 0.501 213 E N 1.122 121.409 120.200 0.146 0.000 2.433 213 E HA 0.912 5.465 4.350 0.078 -0.156 0.278 213 E C -2.335 174.307 176.600 0.071 0.000 0.976 213 E CA -1.765 54.689 56.400 0.091 0.000 0.793 213 E CB 4.393 34.127 29.700 0.057 0.000 1.311 213 E HN 0.019 8.479 8.360 0.166 0.000 0.460 214 V N 0.560 120.463 119.914 -0.018 0.000 2.876 214 V HA 0.475 4.600 4.120 -0.248 -0.154 0.312 214 V C -1.611 174.400 176.094 -0.139 0.000 1.085 214 V CA -3.062 59.123 62.300 -0.190 0.000 0.945 214 V CB 3.441 35.061 31.823 -0.338 0.000 1.017 214 V HN -0.479 7.704 8.190 -0.012 0.000 0.428 215 S N 5.887 121.475 115.700 -0.186 0.000 2.563 215 S HA 0.040 4.495 4.470 -0.024 0.000 0.284 215 S C -0.179 174.477 174.600 0.093 0.000 1.331 215 S CA 0.816 58.977 58.200 -0.064 0.000 1.047 215 S CB 0.409 63.562 63.200 -0.080 0.000 0.859 215 S HN -0.204 7.937 8.310 -0.282 0.000 0.514 216 T N -4.077 110.575 114.554 0.164 0.000 3.293 216 T HA 0.080 4.583 4.350 0.255 0.000 0.276 216 T C -1.081 173.624 174.700 0.007 0.000 1.003 216 T CA -0.908 61.288 62.100 0.160 0.000 0.916 216 T CB 0.361 69.217 68.868 -0.019 0.000 1.134 216 T HN 0.131 8.424 8.240 0.089 0.000 0.530 217 E N 1.479 121.800 120.200 0.201 0.000 2.129 217 E HA 0.181 4.513 4.350 -0.030 0.000 0.268 217 E C -1.176 175.496 176.600 0.121 0.000 0.900 217 E CA -1.500 54.949 56.400 0.082 0.000 0.755 217 E CB 0.274 30.042 29.700 0.113 0.000 1.117 217 E HN -0.662 7.935 8.360 0.395 0.000 0.410 218 N N 1.097 119.740 118.700 -0.095 0.000 2.758 218 N HA -0.435 4.232 4.740 -0.121 0.000 0.248 218 N C -2.124 173.106 175.510 -0.467 0.000 1.076 218 N CA 1.485 54.470 53.050 -0.107 0.000 0.696 218 N CB -1.834 36.750 38.487 0.160 0.000 0.979 218 N HN 0.649 8.936 8.380 -0.156 0.000 0.550 219 H N -8.952 109.741 119.070 -0.628 0.000 2.966 219 H HA 0.775 4.863 4.556 -1.046 -0.159 0.330 219 H C -0.550 174.518 175.328 -0.433 0.000 1.292 219 H CA -2.289 53.225 56.048 -0.891 0.000 1.127 219 H CB 3.237 32.220 29.762 -1.298 0.000 1.863 219 H HN -0.842 6.976 8.280 -0.769 0.000 0.543 220 V N -2.976 116.792 119.914 -0.244 0.000 2.924 220 V HA 0.190 4.214 4.120 -0.161 0.000 0.305 220 V C -1.402 174.628 176.094 -0.106 0.000 1.073 220 V CA -2.473 59.750 62.300 -0.128 0.000 1.098 220 V CB -0.588 31.241 31.823 0.011 0.000 1.000 220 V HN -0.382 7.689 8.190 -0.199 0.000 0.484 221 P HA -0.058 4.282 4.420 -0.133 0.000 0.262 221 P C -1.325 175.979 177.300 0.006 0.000 1.182 221 P CA 0.623 63.674 63.100 -0.083 0.000 0.761 221 P CB 0.064 31.719 31.700 -0.075 0.000 0.795 222 L N 0.541 121.778 121.223 0.023 0.000 2.323 222 L HA 0.634 5.155 4.340 0.095 -0.124 0.265 222 L C -0.549 176.311 176.870 -0.017 0.000 1.012 222 L CA -2.075 52.802 54.840 0.062 0.000 0.820 222 L CB 3.907 46.029 42.059 0.105 0.000 1.334 222 L HN -0.012 8.217 8.230 -0.001 0.000 0.427 223 R N 0.744 121.213 120.500 -0.052 0.000 2.437 223 R HA 0.410 4.785 4.340 -0.193 -0.150 0.310 223 R C -1.757 174.365 176.300 -0.297 0.000 0.955 223 R CA -1.463 54.512 56.100 -0.209 0.000 0.851 223 R CB 3.625 33.754 30.300 -0.286 0.000 1.161 223 R HN 0.270 8.536 8.270 -0.006 0.000 0.446 224 L N 5.835 126.875 121.223 -0.305 0.000 2.334 224 L HA 0.490 4.921 4.340 -0.048 -0.120 0.277 224 L C -2.086 174.559 176.870 -0.375 0.000 1.075 224 L CA -0.444 54.288 54.840 -0.180 0.000 0.804 224 L CB 2.393 44.449 42.059 -0.005 0.000 1.174 224 L HN 0.030 8.098 8.230 -0.272 0.000 0.438 225 F N 4.652 124.654 119.950 0.087 0.000 2.588 225 F HA 0.334 4.858 4.527 -0.005 0.000 0.314 225 F C -1.508 174.331 175.800 0.065 0.000 1.069 225 F CA -1.324 56.698 58.000 0.037 0.000 0.931 225 F CB 4.479 43.491 39.000 0.019 0.000 1.260 225 F HN 0.558 8.967 8.300 0.181 0.000 0.465 226 V N 1.546 121.638 119.914 0.297 0.000 2.334 226 V HA 0.194 4.546 4.120 0.185 -0.121 0.281 226 V C -1.064 175.124 176.094 0.157 0.000 1.016 226 V CA -0.669 61.759 62.300 0.214 0.000 0.832 226 V CB 1.167 33.132 31.823 0.237 0.000 0.999 226 V HN 0.365 8.732 8.190 0.294 0.000 0.439 227 D N 6.560 127.048 120.400 0.147 0.000 2.162 227 D HA -0.007 4.669 4.640 0.060 0.000 0.203 227 D C -0.746 175.577 176.300 0.038 0.000 0.967 227 D CA 2.775 56.835 54.000 0.100 0.000 0.840 227 D CB 1.431 42.335 40.800 0.174 0.000 0.972 227 D HN 0.368 8.840 8.370 0.171 0.000 0.482 228 S N -6.639 109.091 115.700 0.050 0.000 2.556 228 S HA 0.159 4.630 4.470 -0.067 -0.041 0.280 228 S C -2.093 172.513 174.600 0.009 0.000 1.141 228 S CA -0.942 57.245 58.200 -0.021 0.000 0.883 228 S CB 0.804 63.966 63.200 -0.064 0.000 1.103 228 S HN -0.752 7.617 8.310 0.099 0.000 0.453 229 c N 2.123 120.703 118.600 -0.032 0.000 2.563 229 c HA 0.578 5.357 4.570 0.064 -0.170 0.314 229 c C -0.945 173.151 174.090 0.011 0.000 1.199 229 c CA -0.836 55.507 56.329 0.024 0.000 1.564 229 c CB 3.153 45.687 42.510 0.040 0.000 2.173 229 c HN 0.132 8.214 8.230 -0.082 0.099 0.485 230 V N 3.789 123.747 119.914 0.073 0.000 2.623 230 V HA 0.421 4.743 4.120 0.081 -0.153 0.304 230 V C -2.027 174.201 176.094 0.223 0.000 1.054 230 V CA -1.296 61.067 62.300 0.105 0.000 0.882 230 V CB 4.530 36.380 31.823 0.045 0.000 1.002 230 V HN 0.070 8.319 8.190 0.098 0.000 0.424 231 A N 5.933 128.975 122.820 0.371 0.000 2.304 231 A HA 1.148 5.938 4.320 0.403 -0.228 0.301 231 A C -1.852 176.084 177.584 0.587 0.000 1.132 231 A CA -2.153 50.194 52.037 0.516 0.000 0.819 231 A CB 2.572 22.000 19.000 0.715 0.000 1.094 231 A HN 0.474 8.859 8.150 0.393 0.000 0.492 232 A N 0.531 123.620 122.820 0.448 0.000 2.515 232 A HA 0.634 5.005 4.320 -0.106 -0.115 0.299 232 A C -1.666 175.990 177.584 0.120 0.000 1.179 232 A CA -0.397 51.723 52.037 0.139 0.000 0.656 232 A CB 2.980 22.040 19.000 0.100 0.000 1.306 232 A HN 0.275 8.686 8.150 0.435 0.000 0.459 233 L N -2.085 119.105 121.223 -0.055 0.000 2.592 233 L HA 0.152 4.601 4.340 0.183 0.000 0.227 233 L C -0.680 176.308 176.870 0.196 0.000 1.127 233 L CA 0.075 54.964 54.840 0.080 0.000 0.884 233 L CB 0.301 42.329 42.059 -0.051 0.000 1.065 233 L HN 0.682 8.818 8.230 -0.157 0.000 0.457 234 S N -4.060 111.676 115.700 0.061 0.000 2.638 234 S HA 0.341 4.520 4.470 -0.485 0.000 0.274 234 S C -2.160 172.210 174.600 -0.383 0.000 1.157 234 S CA -2.860 55.184 58.200 -0.261 0.000 0.826 234 S CB 1.876 64.971 63.200 -0.175 0.000 1.139 234 S HN -0.793 7.491 8.310 0.043 0.052 0.474 235 P HA -0.055 4.223 4.420 -0.237 0.000 0.225 235 P C -1.167 176.058 177.300 -0.124 0.000 1.148 235 P CA 0.883 63.785 63.100 -0.330 0.000 0.779 235 P CB 0.248 31.756 31.700 -0.320 0.000 0.780 236 D N -2.674 117.655 120.400 -0.119 0.000 2.352 236 D HA -0.058 4.550 4.640 -0.054 0.000 0.245 236 D C 0.845 177.119 176.300 -0.043 0.000 1.224 236 D CA -0.656 53.305 54.000 -0.066 0.000 0.879 236 D CB 0.325 41.087 40.800 -0.063 0.000 1.057 236 D HN -0.768 7.473 8.370 -0.153 0.037 0.491 237 G N 3.686 112.464 108.800 -0.036 0.000 2.598 237 G HA2 -0.048 3.916 3.960 0.007 0.000 0.215 237 G HA3 -0.048 3.889 3.960 -0.038 0.000 0.215 237 G C 0.204 175.007 174.900 -0.162 0.000 1.131 237 G CA 0.666 45.740 45.100 -0.044 0.000 0.785 237 G HN 0.307 8.577 8.290 -0.033 0.000 0.539 238 D N -0.467 119.848 120.400 -0.141 0.000 2.325 238 D HA 0.189 4.633 4.640 -0.325 0.000 0.225 238 D C -0.170 176.081 176.300 -0.082 0.000 1.096 238 D CA 0.086 53.977 54.000 -0.183 0.000 0.844 238 D CB -0.056 40.676 40.800 -0.113 0.000 0.925 238 D HN -0.591 7.908 8.370 -0.096 -0.187 0.513 239 S N -0.257 115.429 115.700 -0.024 0.000 2.687 239 S HA 0.108 4.595 4.470 0.028 0.000 0.283 239 S C -0.885 173.800 174.600 0.142 0.000 1.170 239 S CA -0.772 57.448 58.200 0.034 0.000 1.008 239 S CB 2.363 65.559 63.200 -0.008 0.000 1.026 239 S HN -0.631 7.582 8.310 -0.037 0.075 0.541 240 S N 1.379 117.126 115.700 0.077 0.000 2.489 240 S HA 0.389 4.907 4.470 0.081 0.000 0.291 240 S C -1.730 172.825 174.600 -0.074 0.000 1.151 240 S CA -2.258 55.965 58.200 0.037 0.000 1.082 240 S CB 0.580 63.794 63.200 0.024 0.000 1.019 240 S HN 0.188 8.523 8.310 0.041 0.000 0.492 241 P HA 0.269 4.605 4.420 -0.140 0.000 0.278 241 P C -2.316 174.841 177.300 -0.238 0.000 1.266 241 P CA -1.045 61.926 63.100 -0.215 0.000 0.807 241 P CB 1.088 32.652 31.700 -0.227 0.000 1.094 242 H N -6.323 112.770 119.070 0.038 0.000 3.037 242 H HA 0.487 5.348 4.556 0.233 -0.166 0.355 242 H C -2.502 173.106 175.328 0.468 0.000 1.263 242 H CA -1.423 54.757 56.048 0.220 0.000 1.129 242 H CB 2.701 32.528 29.762 0.107 0.000 1.861 242 H HN -0.282 7.825 8.280 -0.289 0.000 0.546 243 Y N 0.692 121.285 120.300 0.487 0.000 2.441 243 Y HA 0.090 4.724 4.550 0.139 0.000 0.334 243 Y C -2.856 173.151 175.900 0.178 0.000 1.061 243 Y CA 0.074 58.307 58.100 0.222 0.000 1.032 243 Y CB 3.385 41.845 38.460 -0.000 0.000 1.266 243 Y HN 0.134 8.848 8.280 0.724 0.000 0.441 244 A N 7.648 130.101 122.820 -0.611 0.000 2.310 244 A HA 0.169 4.450 4.320 -0.279 -0.129 0.300 244 A C -1.373 175.738 177.584 -0.790 0.000 1.269 244 A CA -0.721 51.002 52.037 -0.524 0.000 0.909 244 A CB -0.188 18.583 19.000 -0.381 0.000 1.144 244 A HN 0.270 8.047 8.150 -0.623 0.000 0.540 245 I N 2.593 122.920 120.570 -0.405 0.000 2.235 245 I HA -0.202 3.816 4.170 -0.254 0.000 0.241 245 I C -0.033 175.954 176.117 -0.218 0.000 1.085 245 I CA 2.896 64.061 61.300 -0.225 0.000 1.378 245 I CB 0.845 38.857 38.000 0.019 0.000 1.076 245 I HN -0.453 7.624 8.210 -0.223 0.000 0.415 246 I N -4.290 116.153 120.570 -0.211 0.000 2.530 246 I HA 0.423 4.651 4.170 -0.175 -0.163 0.297 246 I C -1.407 174.561 176.117 -0.249 0.000 1.011 246 I CA -1.099 60.083 61.300 -0.196 0.000 1.107 246 I CB 2.940 40.842 38.000 -0.162 0.000 1.285 246 I HN -0.933 7.169 8.210 -0.180 0.000 0.436 247 D N 4.779 124.981 120.400 -0.330 0.000 2.692 247 D HA 0.234 4.651 4.640 -0.373 0.000 0.303 247 D C -1.325 174.708 176.300 -0.444 0.000 1.278 247 D CA -1.157 52.514 54.000 -0.548 0.000 0.852 247 D CB 4.055 44.245 40.800 -1.018 0.000 1.375 247 D HN 0.294 8.501 8.370 -0.271 0.000 0.453 248 F N -4.568 115.333 119.950 -0.082 0.000 3.067 248 F HA -0.456 4.011 4.527 -0.099 0.000 0.279 248 F C -1.210 174.524 175.800 -0.110 0.000 0.945 248 F CA 0.318 58.255 58.000 -0.104 0.000 0.948 248 F CB -2.589 36.329 39.000 -0.137 0.000 0.898 248 F HN 0.359 8.492 8.300 -0.279 0.000 0.746 249 N N -3.407 115.313 118.700 0.034 0.000 2.726 249 N HA -0.411 4.525 4.740 -0.019 -0.207 0.253 249 N C 0.165 175.645 175.510 -0.050 0.000 1.059 249 N CA 1.468 54.507 53.050 -0.020 0.000 0.701 249 N CB -1.165 37.296 38.487 -0.044 0.000 0.899 249 N HN -0.155 8.229 8.380 0.006 0.000 0.548 250 G N -5.915 102.880 108.800 -0.008 0.000 2.179 250 G HA2 -0.450 3.756 3.960 0.091 0.000 0.220 250 G HA3 -0.450 3.684 3.960 -0.058 -0.209 0.220 250 G C -0.714 174.265 174.900 0.132 0.000 0.990 250 G CA 0.150 45.267 45.100 0.029 0.000 0.646 250 G HN -0.204 8.086 8.290 0.000 0.000 0.517 251 c N 2.335 120.979 118.600 0.074 0.000 2.464 251 c HA 0.027 4.697 4.570 0.167 0.000 0.370 251 c C -0.181 174.024 174.090 0.192 0.000 1.267 251 c CA 0.618 57.012 56.329 0.108 0.000 1.781 251 c CB -1.821 40.668 42.510 -0.035 0.000 2.431 251 c HN -0.093 8.155 8.230 0.029 0.000 0.556 252 L N 6.620 128.072 121.223 0.380 0.000 2.395 252 L HA 0.236 4.579 4.340 0.005 0.000 0.268 252 L C 0.563 177.585 176.870 0.252 0.000 1.223 252 L CA -0.570 54.367 54.840 0.162 0.000 1.093 252 L CB -0.435 41.595 42.059 -0.048 0.000 1.349 252 L HN 0.323 8.886 8.230 0.554 0.000 0.427 253 V N 0.967 120.971 119.914 0.151 0.000 2.970 253 V HA -0.339 4.036 4.120 0.424 0.000 0.260 253 V C 1.204 177.349 176.094 0.085 0.000 1.100 253 V CA 2.473 64.887 62.300 0.189 0.000 1.122 253 V CB -0.062 31.773 31.823 0.020 0.000 0.721 253 V HN -0.149 8.054 8.190 0.020 0.000 0.483 254 D N 1.962 122.384 120.400 0.037 0.000 2.178 254 D HA -0.146 4.576 4.640 0.137 0.000 0.202 254 D C 1.790 178.133 176.300 0.071 0.000 0.974 254 D CA 2.774 56.826 54.000 0.087 0.000 0.841 254 D CB 0.204 41.076 40.800 0.120 0.000 0.953 254 D HN -0.510 7.826 8.370 0.002 0.035 0.478 255 G N -3.106 105.730 108.800 0.060 0.000 3.088 255 G HA2 0.026 4.020 3.960 0.056 0.000 0.212 255 G HA3 0.026 4.204 3.960 0.060 -0.181 0.212 255 G C 0.176 175.090 174.900 0.024 0.000 1.173 255 G CA 0.205 45.336 45.100 0.053 0.000 0.779 255 G HN -0.534 7.778 8.290 0.069 0.019 0.540 256 R N 0.377 120.831 120.500 -0.077 0.000 2.223 256 R HA 0.043 3.999 4.340 -0.640 0.000 0.198 256 R C -0.042 176.103 176.300 -0.258 0.000 0.984 256 R CA -0.231 55.648 56.100 -0.369 0.000 1.018 256 R CB 0.862 30.974 30.300 -0.313 0.000 0.945 256 R HN -0.612 7.567 8.270 -0.024 0.076 0.479 257 V N -6.628 113.233 119.914 -0.089 0.000 3.103 257 V HA 0.392 4.464 4.120 -0.080 0.000 0.318 257 V C -1.100 174.978 176.094 -0.027 0.000 1.114 257 V CA -2.022 60.244 62.300 -0.057 0.000 1.020 257 V CB 2.222 34.029 31.823 -0.026 0.000 1.085 257 V HN -0.855 7.309 8.190 -0.043 0.000 0.446 258 D N 0.259 120.643 120.400 -0.027 0.000 3.287 258 D HA -0.322 4.305 4.640 -0.021 0.000 0.177 258 D C -1.211 175.086 176.300 -0.004 0.000 1.205 258 D CA 1.994 55.981 54.000 -0.021 0.000 1.054 258 D CB -0.617 40.160 40.800 -0.039 0.000 0.550 258 D HN 0.466 8.818 8.370 -0.031 0.000 0.595 259 D N 1.806 122.204 120.400 -0.003 0.000 2.772 259 D HA 0.139 4.788 4.640 0.015 0.000 0.272 259 D C -0.944 175.366 176.300 0.017 0.000 1.314 259 D CA -0.065 53.941 54.000 0.009 0.000 0.835 259 D CB -0.123 40.680 40.800 0.005 0.000 1.080 259 D HN 0.191 8.556 8.370 -0.010 0.000 0.482 260 T N -2.418 112.149 114.554 0.022 0.000 2.899 260 T HA 0.246 4.806 4.350 0.035 -0.189 0.295 260 T C 0.968 175.694 174.700 0.044 0.000 1.033 260 T CA -0.513 61.609 62.100 0.035 0.000 1.084 260 T CB 1.813 70.706 68.868 0.042 0.000 0.979 260 T HN -0.820 7.431 8.240 0.018 0.000 0.532 261 S N 1.208 116.938 115.700 0.049 0.000 2.601 261 S HA 0.199 4.696 4.470 0.044 0.000 0.244 261 S C 0.080 174.719 174.600 0.065 0.000 1.001 261 S CA -1.075 57.155 58.200 0.050 0.000 0.984 261 S CB 0.479 63.706 63.200 0.045 0.000 0.842 261 S HN 0.330 8.991 8.310 0.052 -0.320 0.474 262 S N 2.093 117.835 115.700 0.070 0.000 2.516 262 S HA 0.157 4.882 4.470 0.095 -0.198 0.282 262 S C -1.018 173.617 174.600 0.058 0.000 1.286 262 S CA 1.404 59.651 58.200 0.078 0.000 1.066 262 S CB 0.592 63.841 63.200 0.083 0.000 0.884 262 S HN -0.360 7.924 8.310 0.068 0.067 0.491 263 A N 4.914 127.770 122.820 0.060 0.000 2.597 263 A HA 0.300 4.638 4.320 0.029 0.000 0.292 263 A C -2.526 175.099 177.584 0.068 0.000 1.057 263 A CA -0.263 51.809 52.037 0.059 0.000 0.674 263 A CB 2.981 22.046 19.000 0.108 0.000 1.278 263 A HN 0.097 8.300 8.150 0.089 0.000 0.416 264 F N -1.005 119.072 119.950 0.212 0.000 2.429 264 F HA 0.215 5.076 4.527 0.323 -0.140 0.348 264 F C 1.115 177.007 175.800 0.153 0.000 1.109 264 F CA 1.076 59.212 58.000 0.226 0.000 1.232 264 F CB 0.940 40.048 39.000 0.180 0.000 1.157 264 F HN -0.131 8.335 8.300 0.275 0.000 0.564 265 I N 4.674 125.427 120.570 0.305 0.000 2.428 265 I HA 0.048 4.301 4.170 0.138 0.000 0.289 265 I C -0.616 175.552 176.117 0.084 0.000 1.019 265 I CA 0.484 61.862 61.300 0.131 0.000 1.351 265 I CB 0.799 38.782 38.000 -0.030 0.000 1.412 265 I HN -0.060 8.348 8.210 0.330 0.000 0.513 266 T N 7.363 121.950 114.554 0.056 0.000 2.876 266 T HA 0.442 4.801 4.350 0.015 0.000 0.289 266 T C -2.179 172.522 174.700 0.001 0.000 1.014 266 T CA -2.372 59.745 62.100 0.028 0.000 0.986 266 T CB 1.367 70.264 68.868 0.048 0.000 1.021 266 T HN -0.018 8.259 8.240 0.062 0.000 0.458 267 P HA 0.273 4.687 4.420 -0.010 0.000 0.282 267 P C -1.027 176.241 177.300 -0.053 0.000 1.287 267 P CA -1.092 61.994 63.100 -0.023 0.000 0.792 267 P CB 1.244 32.930 31.700 -0.023 0.000 1.163 268 R N -0.936 119.531 120.500 -0.054 0.000 2.615 268 R HA 0.101 4.383 4.340 -0.097 0.000 0.270 268 R C -0.893 175.358 176.300 -0.082 0.000 1.081 268 R CA -0.746 55.308 56.100 -0.078 0.000 1.154 268 R CB -0.605 29.653 30.300 -0.070 0.000 1.063 268 R HN 0.236 8.481 8.270 -0.043 0.000 0.519 269 P HA -0.017 4.359 4.420 -0.073 0.000 0.217 269 P C -0.897 176.367 177.300 -0.059 0.000 1.154 269 P CA 0.770 63.823 63.100 -0.079 0.000 0.841 269 P CB 0.475 32.123 31.700 -0.087 0.000 0.788 270 R N -4.576 115.888 120.500 -0.061 0.000 2.817 270 R HA 0.241 4.548 4.340 -0.054 0.000 0.268 270 R C 0.100 176.359 176.300 -0.067 0.000 1.027 270 R CA -1.356 54.710 56.100 -0.057 0.000 0.928 270 R CB 2.928 33.198 30.300 -0.050 0.000 1.228 270 R HN -0.724 7.507 8.270 -0.065 0.000 0.469 271 E N 0.420 120.577 120.200 -0.073 0.000 2.347 271 E HA -0.238 4.048 4.350 -0.106 0.000 0.196 271 E C -0.023 176.509 176.600 -0.113 0.000 1.008 271 E CA 2.233 58.575 56.400 -0.097 0.000 0.852 271 E CB -0.052 29.592 29.700 -0.092 0.000 0.783 271 E HN 0.549 8.868 8.360 -0.067 0.000 0.505 272 D N -4.757 115.598 120.400 -0.076 0.000 2.395 272 D HA 0.038 4.714 4.640 -0.071 -0.079 0.226 272 D C -1.302 174.979 176.300 -0.032 0.000 1.146 272 D CA -0.860 53.107 54.000 -0.055 0.000 0.830 272 D CB -1.202 39.582 40.800 -0.026 0.000 0.958 272 D HN 0.089 8.376 8.370 -0.064 0.044 0.501 273 V N -1.962 117.927 119.914 -0.042 0.000 2.709 273 V HA 0.511 4.795 4.120 0.017 -0.154 0.308 273 V C -1.894 174.193 176.094 -0.012 0.000 1.062 273 V CA -1.618 60.674 62.300 -0.014 0.000 0.901 273 V CB 3.854 35.660 31.823 -0.029 0.000 1.003 273 V HN -0.690 7.387 8.190 -0.062 0.075 0.425 274 L N 6.948 128.206 121.223 0.059 0.000 2.406 274 L HA 0.525 4.914 4.340 0.082 0.000 0.272 274 L C -2.396 174.609 176.870 0.224 0.000 0.980 274 L CA -1.215 53.709 54.840 0.140 0.000 0.831 274 L CB 3.908 46.093 42.059 0.210 0.000 1.253 274 L HN 0.374 8.659 8.230 0.091 0.000 0.406 275 R N 4.383 124.974 120.500 0.151 0.000 2.604 275 R HA 0.861 5.359 4.340 -0.012 -0.165 0.287 275 R C -0.710 175.795 176.300 0.340 0.000 0.970 275 R CA -1.286 54.820 56.100 0.010 0.000 0.946 275 R CB 2.776 32.718 30.300 -0.597 0.000 1.127 275 R HN 0.251 8.587 8.270 0.110 0.000 0.473 276 F N -2.561 117.527 119.950 0.230 0.000 2.654 276 F HA 0.694 5.410 4.527 0.134 -0.109 0.308 276 F C -2.709 173.223 175.800 0.220 0.000 1.108 276 F CA -1.588 56.493 58.000 0.135 0.000 0.957 276 F CB 3.284 42.160 39.000 -0.207 0.000 1.309 276 F HN 0.486 8.685 8.300 -0.168 0.000 0.446 277 R N -0.540 120.141 120.500 0.301 0.000 2.445 277 R HA 0.820 5.423 4.340 0.121 -0.191 0.308 277 R C -1.275 175.135 176.300 0.184 0.000 0.961 277 R CA -1.347 54.867 56.100 0.191 0.000 0.862 277 R CB 3.011 33.420 30.300 0.182 0.000 1.144 277 R HN 0.364 8.811 8.270 0.295 0.000 0.447 278 I N 3.907 124.556 120.570 0.131 0.000 2.466 278 I HA 0.270 4.538 4.170 0.164 0.000 0.289 278 I C -1.519 174.651 176.117 0.088 0.000 1.026 278 I CA -3.172 58.217 61.300 0.148 0.000 1.078 278 I CB 2.449 40.570 38.000 0.200 0.000 1.249 278 I HN 0.596 8.848 8.210 0.069 0.000 0.429 279 D N 6.909 127.377 120.400 0.114 0.000 2.383 279 D HA 0.034 4.707 4.640 0.055 0.000 0.252 279 D C 0.434 176.801 176.300 0.111 0.000 1.166 279 D CA 0.431 54.486 54.000 0.090 0.000 0.879 279 D CB 0.036 40.889 40.800 0.087 0.000 1.164 279 D HN -0.343 8.106 8.370 0.131 0.000 0.462 280 V N 4.017 123.935 119.914 0.007 0.000 2.901 280 V HA -0.204 3.758 4.120 -0.263 0.000 0.307 280 V C -0.331 175.756 176.094 -0.011 0.000 1.084 280 V CA 1.966 64.196 62.300 -0.116 0.000 1.184 280 V CB 0.469 32.223 31.823 -0.116 0.000 0.941 280 V HN -0.142 8.048 8.190 0.001 0.000 0.493 281 F N 3.486 123.352 119.950 -0.140 0.000 2.745 281 F HA 0.599 5.034 4.527 -0.153 0.000 0.316 281 F C -2.088 173.586 175.800 -0.209 0.000 1.155 281 F CA -1.391 56.496 58.000 -0.189 0.000 0.937 281 F CB 2.138 40.971 39.000 -0.279 0.000 1.361 281 F HN -0.266 7.587 8.300 -0.744 0.000 0.472 282 R N -1.574 118.956 120.500 0.051 0.000 2.799 282 R HA 0.200 4.484 4.340 -0.093 0.000 0.270 282 R C -1.980 174.298 176.300 -0.038 0.000 1.010 282 R CA -1.512 54.573 56.100 -0.025 0.000 0.916 282 R CB 2.104 32.411 30.300 0.012 0.000 1.228 282 R HN -0.112 8.222 8.270 0.108 0.000 0.469 283 F N 0.341 120.367 119.950 0.128 0.000 2.394 283 F HA 0.097 4.682 4.527 0.098 0.000 0.340 283 F C 0.458 176.289 175.800 0.051 0.000 1.105 283 F CA -0.721 57.338 58.000 0.099 0.000 1.124 283 F CB 1.282 40.347 39.000 0.108 0.000 1.145 283 F HN 0.489 8.976 8.300 0.313 0.000 0.505 284 A N 4.573 127.518 122.820 0.207 0.000 2.511 284 A HA -0.114 4.258 4.320 0.087 0.000 0.242 284 A C 0.608 178.266 177.584 0.123 0.000 1.069 284 A CA 1.427 53.535 52.037 0.118 0.000 0.763 284 A CB -0.095 18.948 19.000 0.072 0.000 1.001 284 A HN 0.451 8.720 8.150 0.198 0.000 0.498 285 G N 2.846 111.696 108.800 0.083 0.000 2.199 285 G HA2 -0.355 3.634 3.960 0.048 0.000 0.254 285 G HA3 -0.355 3.640 3.960 0.058 0.000 0.254 285 G C -1.051 173.889 174.900 0.068 0.000 0.982 285 G CA -0.208 44.930 45.100 0.063 0.000 0.632 285 G HN 0.410 8.742 8.290 0.071 0.000 0.529 286 D N 1.014 121.475 120.400 0.101 0.000 2.339 286 D HA 0.043 4.728 4.640 0.075 0.000 0.241 286 D C -0.109 176.239 176.300 0.080 0.000 1.183 286 D CA -0.624 53.435 54.000 0.099 0.000 0.859 286 D CB 0.471 41.368 40.800 0.161 0.000 1.067 286 D HN -0.610 7.761 8.370 0.128 0.076 0.484 287 N N 4.484 123.217 118.700 0.056 0.000 2.280 287 N HA 0.048 4.817 4.740 0.049 0.000 0.192 287 N C 0.274 175.815 175.510 0.051 0.000 1.109 287 N CA 0.127 53.205 53.050 0.046 0.000 0.855 287 N CB 0.505 39.009 38.487 0.028 0.000 0.974 287 N HN 0.262 8.671 8.380 0.048 0.000 0.482 288 R N -1.867 118.670 120.500 0.063 0.000 2.189 288 R HA -0.009 4.372 4.340 0.068 0.000 0.203 288 R C -0.969 175.376 176.300 0.074 0.000 1.012 288 R CA 0.345 56.487 56.100 0.070 0.000 1.015 288 R CB 0.877 31.221 30.300 0.073 0.000 0.938 288 R HN -0.571 7.948 8.270 0.067 -0.209 0.472 289 N N -3.514 115.235 118.700 0.081 0.000 2.746 289 N HA -0.348 4.516 4.740 0.082 -0.074 0.250 289 N C -1.374 174.173 175.510 0.061 0.000 1.055 289 N CA 0.546 53.640 53.050 0.074 0.000 0.699 289 N CB -1.268 37.255 38.487 0.061 0.000 0.919 289 N HN -0.617 8.180 8.380 0.090 -0.363 0.548 290 L N -8.162 113.104 121.223 0.072 0.000 2.303 290 L HA 0.520 4.856 4.340 -0.006 0.000 0.256 290 L C -2.220 174.680 176.870 0.050 0.000 1.034 290 L CA -1.137 53.716 54.840 0.023 0.000 0.832 290 L CB 2.795 44.853 42.059 -0.002 0.000 1.403 290 L HN -0.886 7.533 8.230 0.103 -0.127 0.419 291 I N -1.333 119.203 120.570 -0.057 0.000 2.571 291 I HA 0.391 4.802 4.170 0.196 -0.123 0.289 291 I C -1.124 174.939 176.117 -0.091 0.000 1.115 291 I CA -1.849 59.462 61.300 0.017 0.000 1.045 291 I CB 2.157 40.084 38.000 -0.121 0.000 1.238 291 I HN -0.086 8.034 8.210 -0.150 0.000 0.424 292 Y N 6.861 127.238 120.300 0.129 0.000 2.420 292 Y HA 0.218 4.836 4.550 0.112 0.000 0.334 292 Y C -1.137 174.845 175.900 0.138 0.000 1.094 292 Y CA -1.111 57.059 58.100 0.117 0.000 1.126 292 Y CB 3.740 42.259 38.460 0.099 0.000 1.217 292 Y HN 0.426 8.940 8.280 0.389 0.000 0.462 293 I N 1.521 122.261 120.570 0.283 0.000 2.439 293 I HA 0.342 4.834 4.170 0.243 -0.176 0.285 293 I C -0.931 175.310 176.117 0.207 0.000 1.021 293 I CA -0.647 60.790 61.300 0.228 0.000 1.091 293 I CB 2.592 40.699 38.000 0.179 0.000 1.242 293 I HN 0.288 8.667 8.210 0.282 0.000 0.439 294 T N 8.179 122.837 114.554 0.174 0.000 2.756 294 T HA 0.344 4.778 4.350 0.139 0.000 0.290 294 T C -0.949 173.822 174.700 0.118 0.000 0.985 294 T CA -1.504 60.675 62.100 0.132 0.000 0.955 294 T CB 0.687 69.611 68.868 0.093 0.000 0.930 294 T HN 0.269 8.612 8.240 0.172 0.000 0.451 295 c N 7.559 126.233 118.600 0.124 0.000 2.397 295 c HA 0.772 5.616 4.570 0.114 -0.206 0.343 295 c C -0.531 173.617 174.090 0.097 0.000 1.188 295 c CA -1.528 54.873 56.329 0.121 0.000 1.992 295 c CB 2.139 44.744 42.510 0.159 0.000 2.358 295 c HN 0.774 9.081 8.230 0.128 0.000 0.518 296 H N 3.453 122.517 119.070 -0.009 0.000 2.623 296 H HA 0.287 4.788 4.556 -0.091 0.000 0.299 296 H C -1.841 173.449 175.328 -0.063 0.000 1.052 296 H CA -0.357 55.655 56.048 -0.059 0.000 1.231 296 H CB 1.055 30.786 29.762 -0.051 0.000 1.389 296 H HN 0.509 8.895 8.280 0.177 0.000 0.469 297 L N 6.164 127.146 121.223 -0.402 0.000 2.360 297 L HA 0.600 5.051 4.340 -0.072 -0.154 0.271 297 L C -0.761 175.826 176.870 -0.471 0.000 1.057 297 L CA -0.946 53.706 54.840 -0.313 0.000 0.803 297 L CB 2.239 44.119 42.059 -0.299 0.000 1.207 297 L HN 0.406 8.311 8.230 -0.542 0.000 0.445 298 K N 0.056 120.405 120.400 -0.085 0.000 2.555 298 K HA 0.435 4.727 4.320 -0.047 0.000 0.279 298 K C -2.623 174.134 176.600 0.262 0.000 0.986 298 K CA -1.006 55.310 56.287 0.049 0.000 0.880 298 K CB 3.513 36.078 32.500 0.107 0.000 1.474 298 K HN 0.340 8.632 8.250 0.070 0.000 0.433 299 V N -4.235 115.863 119.914 0.306 0.000 3.001 299 V HA 0.944 5.374 4.120 0.237 -0.167 0.314 299 V C -1.095 175.227 176.094 0.380 0.000 1.099 299 V CA -2.763 59.717 62.300 0.301 0.000 0.989 299 V CB 3.958 35.938 31.823 0.262 0.000 1.040 299 V HN 0.246 8.612 8.190 0.293 0.000 0.434 300 T N -1.616 113.125 114.554 0.310 0.000 2.887 300 T HA 0.543 5.072 4.350 0.298 0.000 0.292 300 T C -2.623 172.171 174.700 0.156 0.000 1.087 300 T CA -3.983 58.267 62.100 0.251 0.000 1.009 300 T CB 1.083 70.078 68.868 0.212 0.000 1.203 300 T HN 0.302 8.667 8.240 0.209 0.000 0.518 301 P HA -0.074 4.373 4.420 0.045 0.000 0.266 301 P C 0.138 177.431 177.300 -0.011 0.000 1.195 301 P CA 0.207 63.279 63.100 -0.047 0.000 0.768 301 P CB 0.217 31.798 31.700 -0.198 0.000 0.838 302 A N 3.655 126.472 122.820 -0.006 0.000 2.178 302 A HA -0.263 4.035 4.320 -0.036 0.000 0.218 302 A C -0.454 177.113 177.584 -0.029 0.000 1.157 302 A CA 2.337 54.359 52.037 -0.026 0.000 0.689 302 A CB -0.071 18.909 19.000 -0.034 0.000 0.787 302 A HN 0.052 8.204 8.150 0.002 0.000 0.465 303 D N -4.340 116.045 120.400 -0.024 0.000 2.563 303 D HA 0.151 4.781 4.640 -0.016 0.000 0.237 303 D C -1.167 175.126 176.300 -0.012 0.000 1.282 303 D CA -0.494 53.495 54.000 -0.019 0.000 0.816 303 D CB 0.282 41.068 40.800 -0.024 0.000 1.066 303 D HN -0.325 7.967 8.370 -0.029 0.060 0.501 304 Q N 1.513 121.310 119.800 -0.006 0.000 2.314 304 Q HA 0.049 4.381 4.340 -0.014 0.000 0.258 304 Q C 0.389 176.409 176.000 0.033 0.000 0.954 304 Q CA 0.112 55.916 55.803 0.001 0.000 0.890 304 Q CB 1.343 30.078 28.738 -0.006 0.000 1.210 304 Q HN -0.709 7.558 8.270 -0.005 0.000 0.410 305 G N 4.109 112.920 108.800 0.019 0.000 2.340 305 G HA2 -0.008 3.971 3.960 0.031 0.000 0.245 305 G HA3 -0.008 3.960 3.960 0.012 0.000 0.245 305 G C -1.909 173.016 174.900 0.042 0.000 1.294 305 G CA -1.468 43.648 45.100 0.026 0.000 0.896 305 G HN 0.286 8.579 8.290 0.005 0.000 0.522 306 P HA 0.029 4.554 4.420 0.039 -0.082 0.269 306 P C -1.575 175.704 177.300 -0.035 0.000 1.215 306 P CA -0.297 62.822 63.100 0.032 0.000 0.780 306 P CB 1.308 33.048 31.700 0.066 0.000 0.898 307 D N -1.149 119.193 120.400 -0.096 0.000 2.677 307 D HA 0.245 4.844 4.640 -0.069 0.000 0.298 307 D C -1.534 174.688 176.300 -0.130 0.000 1.250 307 D CA -2.313 51.634 54.000 -0.089 0.000 0.888 307 D CB -1.254 39.507 40.800 -0.064 0.000 1.397 307 D HN -0.352 7.926 8.370 -0.153 0.000 0.461 308 P HA -0.037 4.308 4.420 -0.126 0.000 0.234 308 P C -0.664 176.560 177.300 -0.125 0.000 1.162 308 P CA 1.470 64.500 63.100 -0.116 0.000 0.759 308 P CB 0.165 31.808 31.700 -0.096 0.000 0.813 309 Q N -6.529 113.192 119.800 -0.131 0.000 2.378 309 Q HA 0.175 4.452 4.340 -0.104 0.000 0.229 309 Q C -1.167 174.716 176.000 -0.195 0.000 0.882 309 Q CA -0.464 55.266 55.803 -0.121 0.000 0.936 309 Q CB 1.895 30.587 28.738 -0.076 0.000 1.092 309 Q HN -0.432 7.893 8.270 -0.129 -0.132 0.535 310 N N 0.318 118.833 118.700 -0.308 0.000 2.664 310 N HA 0.281 4.615 4.740 -0.677 0.000 0.257 310 N C -2.178 172.680 175.510 -1.087 0.000 1.108 310 N CA -0.165 52.499 53.050 -0.644 0.000 0.822 310 N CB 2.636 40.910 38.487 -0.355 0.000 1.199 310 N HN -0.074 8.195 8.380 -0.268 -0.051 0.529 311 K N -0.148 119.548 120.400 -1.173 0.000 2.615 311 K HA 0.313 4.232 4.320 -0.670 0.000 0.291 311 K C -2.980 173.372 176.600 -0.414 0.000 1.017 311 K CA -0.714 55.152 56.287 -0.702 0.000 0.882 311 K CB 3.265 35.581 32.500 -0.307 0.000 1.522 311 K HN -0.239 7.404 8.250 -1.011 0.000 0.412 312 A N 0.788 123.493 122.820 -0.193 0.000 2.466 312 A HA 0.551 4.726 4.320 -0.467 -0.135 0.291 312 A C -1.819 175.659 177.584 -0.176 0.000 1.234 312 A CA -1.083 50.696 52.037 -0.429 0.000 0.752 312 A CB 0.984 19.520 19.000 -0.773 0.000 1.153 312 A HN 0.248 8.336 8.150 -0.103 0.000 0.458 313 c N 3.111 121.784 118.600 0.121 0.000 2.382 313 c HA 0.530 5.437 4.570 0.304 -0.154 0.327 313 c C -0.707 173.790 174.090 0.678 0.000 1.250 313 c CA -1.742 54.804 56.329 0.362 0.000 1.707 313 c CB 2.131 44.805 42.510 0.273 0.000 2.272 313 c HN 0.454 8.781 8.230 0.162 0.000 0.506 314 S N 1.749 117.816 115.700 0.611 0.000 2.568 314 S HA 0.360 5.129 4.470 0.499 0.000 0.302 314 S C -1.747 173.009 174.600 0.260 0.000 1.082 314 S CA -1.266 57.216 58.200 0.470 0.000 1.009 314 S CB 2.731 66.125 63.200 0.322 0.000 1.069 314 S HN 0.162 8.766 8.310 0.490 0.000 0.500 315 F N 3.693 123.445 119.950 -0.330 0.000 2.411 315 F HA 0.212 4.355 4.527 -0.869 -0.138 0.350 315 F C -0.974 174.624 175.800 -0.337 0.000 1.114 315 F CA -0.313 57.228 58.000 -0.765 0.000 1.135 315 F CB 1.852 40.104 39.000 -1.248 0.000 1.120 315 F HN 0.576 8.876 8.300 -0.000 0.000 0.495 316 N N 8.088 126.284 118.700 -0.841 0.000 2.462 316 N HA 0.155 4.710 4.740 -0.307 0.000 0.242 316 N C 0.186 175.262 175.510 -0.723 0.000 1.010 316 N CA -1.488 51.237 53.050 -0.541 0.000 0.939 316 N CB 0.420 38.694 38.487 -0.355 0.000 1.127 316 N HN 0.361 8.101 8.380 -1.067 0.000 0.509 317 K N 6.858 127.055 120.400 -0.338 0.000 2.097 317 K HA -0.264 3.996 4.320 -0.100 0.000 0.206 317 K C 1.192 177.708 176.600 -0.139 0.000 1.049 317 K CA 2.854 59.057 56.287 -0.140 0.000 0.933 317 K CB -0.236 32.284 32.500 0.032 0.000 0.717 317 K HN 0.578 8.715 8.250 -0.188 0.000 0.442 318 A N -1.254 121.487 122.820 -0.131 0.000 1.972 318 A HA -0.165 4.119 4.320 -0.060 0.000 0.219 318 A C 1.209 178.728 177.584 -0.110 0.000 1.169 318 A CA 2.248 54.231 52.037 -0.090 0.000 0.635 318 A CB -0.159 18.801 19.000 -0.067 0.000 0.810 318 A HN -0.218 7.992 8.150 -0.132 -0.140 0.446 319 R N -3.909 116.484 120.500 -0.178 0.000 2.365 319 R HA -0.002 4.276 4.340 -0.103 0.000 0.223 319 R C -0.024 176.158 176.300 -0.197 0.000 0.899 319 R CA -0.713 55.293 56.100 -0.157 0.000 1.059 319 R CB 0.838 31.050 30.300 -0.147 0.000 1.086 319 R HN -0.450 7.816 8.270 -0.237 -0.138 0.522 320 N N -0.149 118.361 118.700 -0.317 0.000 2.714 320 N HA -0.312 4.200 4.740 -0.436 -0.033 0.253 320 N C -1.791 173.531 175.510 -0.313 0.000 1.024 320 N CA 1.382 54.256 53.050 -0.294 0.000 0.726 320 N CB -1.705 36.777 38.487 -0.009 0.000 0.908 320 N HN -0.210 7.839 8.380 -0.360 0.115 0.542 321 T N -7.363 106.800 114.554 -0.652 0.000 2.821 321 T HA 0.296 4.617 4.350 -0.049 0.000 0.306 321 T C -1.830 172.617 174.700 -0.420 0.000 1.313 321 T CA -2.122 59.800 62.100 -0.297 0.000 1.012 321 T CB 2.820 71.638 68.868 -0.084 0.000 1.298 321 T HN -0.657 7.026 8.240 -0.929 0.000 0.502 322 W N 1.030 122.352 121.300 0.037 0.000 2.316 322 W HA 0.553 5.477 4.660 0.126 -0.189 0.321 322 W C -0.051 176.493 176.519 0.042 0.000 1.203 322 W CA -0.233 57.177 57.345 0.109 0.000 1.214 322 W CB 1.625 31.200 29.460 0.190 0.000 1.169 322 W HN 0.169 8.606 8.180 0.428 0.000 0.561 323 V N 4.413 124.501 119.914 0.289 0.000 2.524 323 V HA 0.380 4.589 4.120 0.148 0.000 0.297 323 V C -2.128 174.083 176.094 0.195 0.000 1.035 323 V CA -3.475 58.929 62.300 0.174 0.000 0.867 323 V CB 3.166 35.041 31.823 0.087 0.000 1.004 323 V HN 0.667 9.069 8.190 0.354 0.000 0.426 324 P HA 0.367 5.050 4.420 0.117 -0.193 0.276 324 P C -0.274 177.076 177.300 0.084 0.000 1.244 324 P CA -1.336 61.827 63.100 0.105 0.000 0.801 324 P CB 1.061 32.802 31.700 0.068 0.000 1.006 325 V N -1.160 118.786 119.914 0.053 0.000 2.427 325 V HA -0.264 3.895 4.120 0.064 0.000 0.248 325 V C -0.175 175.942 176.094 0.038 0.000 1.051 325 V CA 2.181 64.507 62.300 0.042 0.000 1.048 325 V CB 0.597 32.415 31.823 -0.008 0.000 0.666 325 V HN 0.237 8.440 8.190 0.022 0.000 0.456 326 E N -4.015 116.215 120.200 0.049 0.000 2.433 326 E HA 0.086 4.458 4.350 0.037 0.000 0.278 326 E C -1.379 175.255 176.600 0.055 0.000 0.976 326 E CA -0.919 55.509 56.400 0.047 0.000 0.793 326 E CB 2.816 32.540 29.700 0.040 0.000 1.311 326 E HN -0.561 7.835 8.360 0.060 0.000 0.460 327 G N 0.692 109.517 108.800 0.042 0.000 2.525 327 G HA2 -0.147 3.831 3.960 0.031 0.000 0.685 327 G HA3 -0.147 3.834 3.960 0.035 0.000 0.685 327 G C -1.162 173.754 174.900 0.026 0.000 1.290 327 G CA -0.630 44.490 45.100 0.034 0.000 0.915 327 G HN 0.123 8.434 8.290 0.035 0.000 0.548 328 S N -0.226 115.485 115.700 0.018 0.000 2.565 328 S HA 0.174 4.656 4.470 0.019 0.000 0.276 328 S C 1.433 176.047 174.600 0.024 0.000 1.326 328 S CA -0.816 57.394 58.200 0.018 0.000 1.045 328 S CB 1.108 64.314 63.200 0.010 0.000 0.918 328 S HN 0.241 8.559 8.310 0.013 0.000 0.505 329 R N 1.701 122.220 120.500 0.032 0.000 2.127 329 R HA -0.339 4.036 4.340 0.059 0.000 0.238 329 R C 0.963 177.293 176.300 0.050 0.000 1.134 329 R CA 2.997 59.126 56.100 0.048 0.000 0.975 329 R CB -0.342 29.986 30.300 0.047 0.000 0.865 329 R HN 0.627 8.914 8.270 0.028 0.000 0.447 330 D N -4.127 116.290 120.400 0.029 0.000 2.349 330 D HA -0.057 4.735 4.640 0.032 -0.132 0.224 330 D C 1.649 177.947 176.300 -0.003 0.000 1.029 330 D CA 0.949 54.960 54.000 0.019 0.000 0.879 330 D CB -1.546 39.261 40.800 0.011 0.000 0.906 330 D HN 0.134 8.484 8.370 0.022 0.034 0.528 331 V N -0.262 119.648 119.914 -0.007 0.000 2.809 331 V HA -0.290 3.804 4.120 -0.044 0.000 0.256 331 V C 0.184 176.241 176.094 -0.061 0.000 1.080 331 V CA 2.354 64.632 62.300 -0.036 0.000 1.102 331 V CB 0.230 32.031 31.823 -0.037 0.000 0.705 331 V HN -0.610 7.521 8.190 0.005 0.062 0.475 332 c N -3.429 115.151 118.600 -0.034 0.000 2.626 332 c HA 0.053 4.536 4.570 -0.145 0.000 0.266 332 c C 1.472 175.454 174.090 -0.180 0.000 1.317 332 c CA -0.371 55.904 56.329 -0.089 0.000 1.716 332 c CB -2.623 39.929 42.510 0.071 0.000 1.819 332 c HN -0.503 7.697 8.230 0.007 0.034 0.578 333 N N 2.122 120.764 118.700 -0.097 0.000 2.166 333 N HA -0.182 4.531 4.740 -0.044 0.000 0.186 333 N C 1.212 176.621 175.510 -0.168 0.000 1.019 333 N CA 2.920 55.918 53.050 -0.087 0.000 0.856 333 N CB -0.631 37.833 38.487 -0.039 0.000 0.993 333 N HN -0.343 7.936 8.380 -0.064 0.063 0.426 334 c N -5.360 113.124 118.600 -0.194 0.000 2.472 334 c HA 0.238 4.689 4.570 -0.198 0.000 0.278 334 c C 1.680 175.569 174.090 -0.336 0.000 1.447 334 c CA -0.575 55.618 56.329 -0.226 0.000 1.773 334 c CB -2.438 39.958 42.510 -0.191 0.000 1.793 334 c HN 0.013 8.139 8.230 -0.174 0.000 0.544 335 c N 1.842 120.161 118.600 -0.468 0.000 2.429 335 c HA -0.226 4.070 4.570 -0.457 0.000 0.277 335 c C 2.123 175.896 174.090 -0.528 0.000 1.262 335 c CA 4.222 60.141 56.329 -0.685 0.000 1.733 335 c CB -1.612 40.004 42.510 -1.489 0.000 2.010 335 c HN -0.062 7.723 8.230 -0.480 0.157 0.483 336 E N -0.471 119.492 120.200 -0.395 0.000 2.150 336 E HA -0.200 4.255 4.350 0.176 0.000 0.193 336 E C 1.554 178.115 176.600 -0.065 0.000 0.985 336 E CA 2.407 58.806 56.400 -0.001 0.000 0.814 336 E CB -0.273 29.529 29.700 0.171 0.000 0.752 336 E HN -0.301 7.788 8.360 -0.452 0.000 0.466 337 T N -5.703 108.756 114.554 -0.158 0.000 3.055 337 T HA -0.030 4.253 4.350 -0.111 0.000 0.265 337 T C 1.605 176.138 174.700 -0.278 0.000 1.111 337 T CA 0.339 62.339 62.100 -0.167 0.000 1.118 337 T CB 0.806 69.579 68.868 -0.158 0.000 0.909 337 T HN -0.572 7.552 8.240 -0.194 0.000 0.501 338 G N 2.323 110.845 108.800 -0.463 0.000 2.143 338 G HA2 -0.420 2.757 3.960 -1.305 0.000 0.249 338 G HA3 -0.420 3.149 3.960 -0.651 0.000 0.249 338 G C -1.342 172.821 174.900 -1.228 0.000 0.981 338 G CA -0.018 44.517 45.100 -0.941 0.000 0.665 338 G HN -0.328 7.563 8.290 -0.442 0.134 0.528 339 N N -0.951 117.314 118.700 -0.725 0.000 2.533 339 N HA 0.181 4.601 4.740 -0.533 0.000 0.289 339 N C -2.111 173.212 175.510 -0.313 0.000 1.103 339 N CA -0.332 52.431 53.050 -0.478 0.000 0.877 339 N CB 1.430 39.744 38.487 -0.287 0.000 1.419 339 N HN -0.604 7.402 8.380 -0.560 0.038 0.517 340 c N 2.444 120.904 118.600 -0.233 0.000 2.638 340 c HA 0.170 4.649 4.570 -0.153 0.000 0.282 340 c C -1.496 172.540 174.090 -0.091 0.000 1.473 340 c CA -1.752 54.492 56.329 -0.141 0.000 1.781 340 c CB -1.305 41.145 42.510 -0.100 0.000 2.780 340 c HN 0.291 8.392 8.230 -0.214 0.000 0.531 341 E N 1.461 121.606 120.200 -0.090 0.000 2.197 341 E HA 0.334 4.654 4.350 -0.050 0.000 0.281 341 E C -1.947 174.617 176.600 -0.059 0.000 0.995 341 E CA -3.066 53.297 56.400 -0.062 0.000 0.808 341 E CB 1.375 31.043 29.700 -0.053 0.000 1.093 341 E HN -0.880 7.565 8.360 -0.112 -0.153 0.394 342 P HA 0.139 4.531 4.420 -0.046 0.000 0.268 342 P C -1.985 175.292 177.300 -0.038 0.000 1.204 342 P CA -0.781 62.294 63.100 -0.042 0.000 0.768 342 P CB -0.545 31.135 31.700 -0.033 0.000 0.842 343 P HA 0.000 4.399 4.420 -0.035 0.000 0.216 343 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 343 P CB 0.000 31.680 31.700 -0.033 0.000 0.726