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 3nk4_1_A DATA FIRST_RESID 51 DATA SEQUENCE YTPVAVQcQE AQLVVTVHRD LFGTGRLINA ADLTLGPAAc KHSSLNAAHN DATA SEQUENCE TVTFAAGLHE cGSVVQVTPD TLIYRTLINY DPSPASNPVI IRTNPAVIPI DATA SEQUENCE EcHYPRXXXX XXXXXXPTWS PFNXXXXXXE 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 4.442 4.550 -0.180 0.000 0.201 51 Y C 0.000 175.813 175.900 -0.144 0.000 1.272 51 Y CA 0.000 58.008 58.100 -0.153 0.000 1.940 51 Y CB 0.000 38.360 38.460 -0.167 0.000 1.050 52 T N 9.940 124.003 114.554 -0.819 0.000 2.991 52 T HA 0.368 4.440 4.350 -0.463 0.000 0.347 52 T C -1.864 172.378 174.700 -0.763 0.000 1.122 52 T CA -1.964 59.781 62.100 -0.592 0.000 1.062 52 T CB 0.941 69.654 68.868 -0.257 0.000 1.043 52 T HN -0.092 7.619 8.240 -0.882 0.000 0.491 53 P HA -0.110 3.890 4.420 -0.700 0.000 0.217 53 P C -1.513 175.696 177.300 -0.151 0.000 1.150 53 P CA 0.770 63.563 63.100 -0.512 0.000 0.832 53 P CB 0.456 32.004 31.700 -0.253 0.000 0.787 54 V N -3.758 116.075 119.914 -0.136 0.000 2.443 54 V HA 0.347 4.624 4.120 -0.014 -0.165 0.293 54 V C -1.319 174.745 176.094 -0.049 0.000 1.021 54 V CA -1.755 60.512 62.300 -0.054 0.000 0.848 54 V CB 2.450 34.241 31.823 -0.053 0.000 0.998 54 V HN -0.667 7.420 8.190 -0.171 0.000 0.424 55 A N 9.119 131.931 122.820 -0.015 0.000 2.303 55 A HA 0.568 4.870 4.320 -0.031 0.000 0.320 55 A C -2.190 175.396 177.584 0.003 0.000 1.192 55 A CA -1.511 50.517 52.037 -0.015 0.000 0.821 55 A CB 2.412 21.407 19.000 -0.008 0.000 1.188 55 A HN 0.540 8.695 8.150 0.008 0.000 0.492 56 V N 4.371 124.282 119.914 -0.003 0.000 2.409 56 V HA 0.378 4.650 4.120 0.017 -0.142 0.291 56 V C -0.592 175.504 176.094 0.003 0.000 1.020 56 V CA -1.143 61.160 62.300 0.005 0.000 0.848 56 V CB 1.446 33.268 31.823 -0.002 0.000 0.990 56 V HN 0.391 8.574 8.190 -0.012 0.000 0.430 57 Q N 7.268 127.076 119.800 0.013 0.000 2.340 57 Q HA 0.266 4.608 4.340 0.005 0.000 0.259 57 Q C -1.112 174.902 176.000 0.024 0.000 0.964 57 Q CA -1.371 54.440 55.803 0.013 0.000 0.900 57 Q CB 1.765 30.514 28.738 0.019 0.000 1.228 57 Q HN 0.568 8.852 8.270 0.022 0.000 0.449 58 c N 6.509 125.118 118.600 0.015 0.000 2.135 58 c HA 0.269 4.892 4.570 0.088 0.000 0.345 58 c C -0.129 174.044 174.090 0.138 0.000 1.067 58 c CA -0.472 55.887 56.329 0.050 0.000 1.517 58 c CB -2.481 39.952 42.510 -0.128 0.000 1.923 58 c HN 0.791 9.018 8.230 -0.006 0.000 0.466 59 Q N 4.348 124.232 119.800 0.139 0.000 2.173 59 Q HA 0.064 4.474 4.340 0.117 0.000 0.186 59 Q C -0.067 176.008 176.000 0.125 0.000 1.018 59 Q CA -0.788 55.083 55.803 0.115 0.000 1.064 59 Q CB 1.146 29.913 28.738 0.049 0.000 1.130 59 Q HN -0.103 8.230 8.270 0.106 0.000 0.553 60 E N -0.976 119.252 120.200 0.047 0.000 2.058 60 E HA -0.265 4.095 4.350 0.016 0.000 0.194 60 E C -0.126 176.387 176.600 -0.145 0.000 0.997 60 E CA 2.351 58.742 56.400 -0.016 0.000 0.801 60 E CB -0.177 29.517 29.700 -0.010 0.000 0.746 60 E HN 0.437 8.820 8.360 0.037 0.000 0.450 61 A N -5.636 117.112 122.820 -0.119 0.000 2.661 61 A HA 0.253 4.421 4.320 -0.254 0.000 0.278 61 A C -1.942 175.555 177.584 -0.145 0.000 1.090 61 A CA -0.084 51.855 52.037 -0.163 0.000 0.969 61 A CB 0.439 19.386 19.000 -0.089 0.000 1.240 61 A HN 0.069 8.176 8.150 -0.071 0.000 0.578 62 Q N -4.070 115.667 119.800 -0.106 0.000 2.565 62 Q HA 0.596 4.965 4.340 -0.110 -0.095 0.294 62 Q C -2.441 173.537 176.000 -0.037 0.000 1.005 62 Q CA -1.793 53.963 55.803 -0.077 0.000 0.771 62 Q CB 4.158 32.877 28.738 -0.032 0.000 1.486 62 Q HN -0.846 7.378 8.270 -0.077 0.000 0.422 63 L N -4.551 116.658 121.223 -0.024 0.000 2.354 63 L HA 0.984 5.518 4.340 0.029 -0.177 0.269 63 L C -1.729 175.162 176.870 0.034 0.000 1.005 63 L CA -1.290 53.559 54.840 0.014 0.000 0.819 63 L CB 3.570 45.635 42.059 0.009 0.000 1.311 63 L HN 0.320 8.531 8.230 -0.032 0.000 0.423 64 V N 1.153 121.093 119.914 0.043 0.000 2.444 64 V HA 0.690 5.060 4.120 0.079 -0.202 0.294 64 V C -1.050 175.087 176.094 0.072 0.000 1.022 64 V CA -1.418 60.919 62.300 0.061 0.000 0.850 64 V CB 2.220 34.068 31.823 0.041 0.000 0.992 64 V HN 0.094 8.307 8.190 0.038 0.000 0.426 65 V N 8.433 128.421 119.914 0.124 0.000 2.448 65 V HA 0.643 4.996 4.120 0.079 -0.185 0.295 65 V C -0.999 175.201 176.094 0.177 0.000 1.025 65 V CA -1.778 60.599 62.300 0.129 0.000 0.859 65 V CB 2.872 34.768 31.823 0.122 0.000 0.988 65 V HN 0.925 9.218 8.190 0.172 0.000 0.431 66 T N 9.767 124.380 114.554 0.098 0.000 2.779 66 T HA 0.533 5.082 4.350 0.073 -0.155 0.280 66 T C -1.258 173.475 174.700 0.055 0.000 0.987 66 T CA -0.339 61.797 62.100 0.060 0.000 0.966 66 T CB 1.335 70.201 68.868 -0.002 0.000 0.933 66 T HN 0.674 8.954 8.240 0.066 0.000 0.442 67 V N 6.773 126.724 119.914 0.061 0.000 2.540 67 V HA 0.493 4.814 4.120 0.061 -0.165 0.302 67 V C -0.983 175.099 176.094 -0.021 0.000 1.035 67 V CA -2.129 60.206 62.300 0.059 0.000 0.873 67 V CB 3.003 34.906 31.823 0.133 0.000 0.992 67 V HN 0.852 9.078 8.190 0.061 0.000 0.428 68 H N 7.843 126.886 119.070 -0.044 0.000 2.767 68 H HA 0.050 4.609 4.556 0.005 0.000 0.316 68 H C -0.193 175.120 175.328 -0.024 0.000 1.059 68 H CA 1.758 57.797 56.048 -0.015 0.000 1.461 68 H CB 0.679 30.450 29.762 0.014 0.000 1.475 68 H HN -0.133 8.280 8.280 0.221 0.000 0.531 69 R N 2.785 123.320 120.500 0.058 0.000 2.189 69 R HA -0.288 4.060 4.340 0.014 0.000 0.223 69 R C 0.362 176.690 176.300 0.047 0.000 1.092 69 R CA 3.304 59.424 56.100 0.035 0.000 0.989 69 R CB 0.292 30.607 30.300 0.024 0.000 0.876 69 R HN 0.331 8.616 8.270 0.025 0.000 0.457 70 D N -2.926 117.535 120.400 0.101 0.000 2.934 70 D HA 0.002 4.681 4.640 0.064 0.000 0.237 70 D C 0.278 176.598 176.300 0.034 0.000 1.158 70 D CA -1.635 52.413 54.000 0.079 0.000 0.971 70 D CB -1.869 38.985 40.800 0.091 0.000 1.123 70 D HN 0.002 8.450 8.370 0.158 0.017 0.467 71 L N 0.217 121.376 121.223 -0.105 0.000 2.093 71 L HA -0.156 4.062 4.340 -0.202 0.000 0.208 71 L C 0.382 176.964 176.870 -0.479 0.000 1.085 71 L CA 2.521 57.141 54.840 -0.366 0.000 0.755 71 L CB 0.295 41.919 42.059 -0.725 0.000 0.904 71 L HN -0.611 7.487 8.230 -0.110 0.066 0.435 72 F N -5.039 114.888 119.950 -0.039 0.000 2.721 72 F HA 0.105 4.618 4.527 -0.023 0.000 0.301 72 F C 0.257 176.044 175.800 -0.023 0.000 1.096 72 F CA -0.045 57.933 58.000 -0.036 0.000 1.308 72 F CB -0.020 38.941 39.000 -0.065 0.000 1.086 72 F HN -0.469 7.815 8.300 -0.027 0.000 0.587 73 G N 0.980 109.832 108.800 0.087 0.000 2.366 73 G HA2 -0.319 3.643 3.960 0.002 0.000 0.299 73 G HA3 -0.319 3.637 3.960 -0.007 0.000 0.299 73 G C 0.811 175.744 174.900 0.054 0.000 1.020 73 G CA 1.011 46.129 45.100 0.029 0.000 1.026 73 G HN -0.361 7.916 8.290 0.055 0.045 0.512 74 T N -1.831 112.775 114.554 0.086 0.000 3.145 74 T HA 0.018 4.396 4.350 0.046 0.000 0.255 74 T C 1.577 176.302 174.700 0.041 0.000 1.039 74 T CA -1.148 60.989 62.100 0.061 0.000 0.928 74 T CB 0.548 69.456 68.868 0.066 0.000 1.029 74 T HN -0.136 8.172 8.240 0.114 0.000 0.554 75 G N 3.056 111.876 108.800 0.034 0.000 3.329 75 G HA2 -0.345 3.625 3.960 0.018 0.000 0.220 75 G HA3 -0.345 3.629 3.960 0.023 0.000 0.220 75 G C -0.713 174.211 174.900 0.041 0.000 1.358 75 G CA 0.154 45.270 45.100 0.027 0.000 0.856 75 G HN 0.089 8.323 8.290 0.031 0.074 0.551 76 R N 2.861 123.392 120.500 0.052 0.000 2.489 76 R HA -0.086 4.285 4.340 0.052 0.000 0.287 76 R C -0.080 176.266 176.300 0.076 0.000 1.053 76 R CA -0.142 55.994 56.100 0.060 0.000 1.036 76 R CB 0.308 30.646 30.300 0.063 0.000 0.966 76 R HN -0.387 7.831 8.270 0.051 0.083 0.432 77 L N 2.722 123.986 121.223 0.069 0.000 2.380 77 L HA 0.009 4.540 4.340 0.073 -0.147 0.273 77 L C 1.183 178.108 176.870 0.091 0.000 1.138 77 L CA -0.624 54.260 54.840 0.072 0.000 0.832 77 L CB 0.297 42.391 42.059 0.058 0.000 1.124 77 L HN 0.160 8.427 8.230 0.060 0.000 0.454 78 I N -2.338 118.291 120.570 0.099 0.000 2.823 78 I HA 0.130 4.415 4.170 0.191 0.000 0.290 78 I C -0.898 175.304 176.117 0.141 0.000 1.091 78 I CA -1.002 60.391 61.300 0.155 0.000 1.365 78 I CB 1.052 39.138 38.000 0.143 0.000 1.427 78 I HN -0.086 8.171 8.210 0.078 0.000 0.583 79 N N 3.093 121.900 118.700 0.180 0.000 2.497 79 N HA 0.001 4.794 4.740 0.088 0.000 0.271 79 N C 1.252 176.837 175.510 0.125 0.000 1.142 79 N CA 0.105 53.231 53.050 0.127 0.000 0.965 79 N CB 0.345 38.905 38.487 0.122 0.000 1.077 79 N HN -0.006 8.512 8.380 0.230 0.000 0.462 80 A N 6.231 129.078 122.820 0.044 0.000 1.917 80 A HA -0.284 4.028 4.320 -0.013 0.000 0.219 80 A C 1.592 179.235 177.584 0.098 0.000 1.182 80 A CA 3.208 55.227 52.037 -0.029 0.000 0.633 80 A CB -0.294 18.547 19.000 -0.264 0.000 0.819 80 A HN 0.658 8.818 8.150 0.016 0.000 0.448 81 A N -3.276 119.630 122.820 0.143 0.000 2.125 81 A HA -0.203 4.282 4.320 0.274 0.000 0.219 81 A C 0.587 178.286 177.584 0.192 0.000 1.156 81 A CA 1.765 53.922 52.037 0.201 0.000 0.671 81 A CB -0.865 18.223 19.000 0.148 0.000 0.794 81 A HN 0.335 8.546 8.150 0.112 0.005 0.459 82 D N -2.860 117.659 120.400 0.199 0.000 2.355 82 D HA 0.028 4.743 4.640 0.126 0.000 0.218 82 D C -1.121 175.339 176.300 0.266 0.000 1.004 82 D CA 1.254 55.373 54.000 0.197 0.000 0.880 82 D CB 0.635 41.582 40.800 0.245 0.000 0.911 82 D HN -0.317 8.011 8.370 0.201 0.162 0.528 83 L N -2.066 119.353 121.223 0.326 0.000 2.295 83 L HA 0.673 5.428 4.340 0.299 -0.236 0.285 83 L C -0.621 176.483 176.870 0.390 0.000 1.035 83 L CA -0.802 54.254 54.840 0.359 0.000 0.806 83 L CB 1.694 44.018 42.059 0.442 0.000 1.214 83 L HN -0.670 7.707 8.230 0.322 0.045 0.426 84 T N -2.019 112.615 114.554 0.133 0.000 2.865 84 T HA 0.560 5.191 4.350 0.311 -0.094 0.294 84 T C -2.059 172.444 174.700 -0.328 0.000 1.119 84 T CA -2.564 59.572 62.100 0.060 0.000 1.007 84 T CB 3.398 72.328 68.868 0.103 0.000 1.225 84 T HN 0.071 8.346 8.240 0.058 0.000 0.515 85 L N 2.338 123.381 121.223 -0.299 0.000 2.322 85 L HA 0.493 4.710 4.340 -0.416 -0.127 0.281 85 L C -0.704 176.106 176.870 -0.100 0.000 1.014 85 L CA -1.058 53.587 54.840 -0.324 0.000 0.815 85 L CB 2.649 44.537 42.059 -0.286 0.000 1.247 85 L HN 0.003 8.180 8.230 -0.088 0.000 0.421 86 G N 5.660 114.417 108.800 -0.071 0.000 2.814 86 G HA2 -0.339 3.629 3.960 0.014 0.000 0.677 86 G HA3 -0.339 3.791 3.960 -0.007 -0.174 0.677 86 G C -2.069 172.835 174.900 0.007 0.000 1.429 86 G CA -0.393 44.702 45.100 -0.009 0.000 0.868 86 G HN 0.662 8.898 8.290 -0.092 0.000 0.553 87 P HA -0.237 4.199 4.420 0.027 0.000 0.221 87 P C -0.284 177.001 177.300 -0.025 0.000 1.145 87 P CA 1.747 64.838 63.100 -0.015 0.000 0.795 87 P CB 0.142 31.759 31.700 -0.139 0.000 0.775 88 A N -4.812 117.995 122.820 -0.022 0.000 2.206 88 A HA -0.045 4.264 4.320 -0.019 0.000 0.211 88 A C -0.175 177.413 177.584 0.007 0.000 1.158 88 A CA -0.482 51.548 52.037 -0.012 0.000 0.761 88 A CB -0.307 18.689 19.000 -0.007 0.000 0.801 88 A HN -0.716 7.386 8.150 -0.021 0.036 0.473 89 A N -3.077 119.750 122.820 0.011 0.000 2.610 89 A HA -0.371 3.962 4.320 0.022 0.000 0.299 89 A C 0.181 177.797 177.584 0.054 0.000 1.487 89 A CA 0.574 52.629 52.037 0.029 0.000 0.743 89 A CB -2.272 16.747 19.000 0.032 0.000 1.070 89 A HN -0.388 7.585 8.150 0.005 0.180 0.439 90 c N -0.663 117.973 118.600 0.060 0.000 2.642 90 c HA -0.162 4.454 4.570 0.075 0.000 0.420 90 c C 0.486 174.697 174.090 0.201 0.000 1.349 90 c CA -0.425 55.964 56.329 0.101 0.000 1.821 90 c CB 0.247 42.818 42.510 0.101 0.000 2.637 90 c HN 0.036 8.290 8.230 0.040 0.000 0.605 91 K N 3.259 123.748 120.400 0.148 0.000 2.219 91 K HA -0.012 4.448 4.320 0.233 0.000 0.258 91 K C 0.674 177.346 176.600 0.121 0.000 1.008 91 K CA -0.346 56.020 56.287 0.132 0.000 0.928 91 K CB 0.374 32.833 32.500 -0.069 0.000 0.983 91 K HN 0.072 8.373 8.250 0.084 0.000 0.484 92 H N -1.376 117.674 119.070 -0.034 0.000 2.852 92 H HA -0.036 3.867 4.556 -1.088 0.000 0.362 92 H C -0.075 175.077 175.328 -0.293 0.000 1.122 92 H CA -0.046 55.635 56.048 -0.611 0.000 1.419 92 H CB 0.124 29.384 29.762 -0.835 0.000 1.401 92 H HN 0.234 8.518 8.280 0.006 0.000 0.609 93 S N 1.223 116.799 115.700 -0.206 0.000 2.486 93 S HA 0.004 4.402 4.470 -0.120 0.000 0.220 93 S C -0.067 174.506 174.600 -0.044 0.000 1.011 93 S CA 0.391 58.529 58.200 -0.105 0.000 0.921 93 S CB 0.800 63.969 63.200 -0.051 0.000 0.785 93 S HN 0.484 8.620 8.310 -0.291 0.000 0.517 94 S N -0.165 115.528 115.700 -0.012 0.000 2.611 94 S HA 0.187 4.693 4.470 0.059 0.000 0.268 94 S C -2.506 172.061 174.600 -0.055 0.000 1.156 94 S CA -0.273 57.934 58.200 0.012 0.000 0.817 94 S CB 1.844 65.024 63.200 -0.033 0.000 1.122 94 S HN -0.587 7.676 8.310 -0.077 0.000 0.466 95 L N -4.860 116.318 121.223 -0.075 0.000 2.359 95 L HA 0.711 5.033 4.340 -0.182 -0.091 0.256 95 L C -1.226 175.584 176.870 -0.099 0.000 1.026 95 L CA -0.783 53.967 54.840 -0.150 0.000 0.828 95 L CB 3.161 45.079 42.059 -0.234 0.000 1.406 95 L HN -0.053 8.154 8.230 -0.039 0.000 0.413 96 N N 0.589 119.226 118.700 -0.106 0.000 2.461 96 N HA 0.199 4.895 4.740 -0.073 0.000 0.284 96 N C -0.014 175.446 175.510 -0.083 0.000 1.049 96 N CA -0.697 52.303 53.050 -0.084 0.000 0.889 96 N CB 2.948 41.388 38.487 -0.080 0.000 1.365 96 N HN 0.006 8.312 8.380 -0.123 0.000 0.499 97 A N 5.164 127.939 122.820 -0.075 0.000 2.066 97 A HA -0.060 4.225 4.320 -0.058 0.000 0.218 97 A C 0.526 178.053 177.584 -0.096 0.000 1.157 97 A CA 1.976 53.972 52.037 -0.068 0.000 0.670 97 A CB -0.397 18.570 19.000 -0.054 0.000 0.804 97 A HN 0.584 8.692 8.150 -0.070 0.000 0.453 98 A N -2.055 120.676 122.820 -0.149 0.000 1.917 98 A HA -0.256 3.911 4.320 -0.254 0.000 0.219 98 A C 0.974 178.290 177.584 -0.446 0.000 1.182 98 A CA 2.396 54.252 52.037 -0.301 0.000 0.633 98 A CB 0.123 18.911 19.000 -0.354 0.000 0.819 98 A HN -0.400 7.928 8.150 -0.132 -0.256 0.448 99 H N -5.741 113.320 119.070 -0.015 0.000 2.750 99 H HA 0.156 4.734 4.556 0.037 0.000 0.252 99 H C -1.563 173.755 175.328 -0.017 0.000 1.176 99 H CA -0.846 55.210 56.048 0.014 0.000 0.987 99 H CB 0.239 30.032 29.762 0.052 0.000 1.810 99 H HN -0.356 7.871 8.280 -0.088 0.000 0.630 100 N N -2.238 116.476 118.700 0.024 0.000 2.708 100 N HA -0.401 4.377 4.740 -0.034 -0.058 0.255 100 N C -1.470 174.000 175.510 -0.067 0.000 1.046 100 N CA 1.312 54.356 53.050 -0.009 0.000 0.715 100 N CB -1.790 36.719 38.487 0.037 0.000 0.895 100 N HN -0.195 8.049 8.380 -0.014 0.128 0.545 101 T N -6.382 108.090 114.554 -0.137 0.000 2.950 101 T HA 0.889 5.262 4.350 -0.218 -0.154 0.288 101 T C -0.968 173.630 174.700 -0.169 0.000 1.035 101 T CA -2.370 59.604 62.100 -0.209 0.000 1.028 101 T CB 3.704 72.389 68.868 -0.305 0.000 1.109 101 T HN -0.457 7.711 8.240 -0.118 0.000 0.514 102 V N 0.688 120.508 119.914 -0.157 0.000 2.709 102 V HA 0.408 4.463 4.120 -0.297 -0.114 0.308 102 V C -1.510 174.463 176.094 -0.202 0.000 1.062 102 V CA -1.308 60.852 62.300 -0.232 0.000 0.901 102 V CB 3.570 35.270 31.823 -0.205 0.000 1.003 102 V HN 0.394 8.510 8.190 -0.124 0.000 0.425 103 T N 7.460 121.823 114.554 -0.320 0.000 2.841 103 T HA 0.803 5.318 4.350 -0.035 -0.186 0.283 103 T C -1.199 173.261 174.700 -0.400 0.000 1.000 103 T CA -1.056 60.926 62.100 -0.197 0.000 0.977 103 T CB 2.383 71.193 68.868 -0.096 0.000 0.979 103 T HN 0.603 8.628 8.240 -0.358 0.000 0.446 104 F N 4.646 124.620 119.950 0.041 0.000 2.520 104 F HA 0.379 4.943 4.527 0.060 0.000 0.322 104 F C -1.918 173.895 175.800 0.022 0.000 1.103 104 F CA -1.336 56.691 58.000 0.046 0.000 0.926 104 F CB 3.839 42.867 39.000 0.047 0.000 1.154 104 F HN 0.737 9.223 8.300 0.310 0.000 0.453 105 A N 2.336 125.260 122.820 0.174 0.000 2.375 105 A HA 0.971 5.545 4.320 0.093 -0.198 0.295 105 A C -2.007 175.626 177.584 0.081 0.000 1.066 105 A CA -0.957 51.137 52.037 0.095 0.000 0.722 105 A CB 2.185 21.213 19.000 0.046 0.000 1.206 105 A HN 0.213 8.462 8.150 0.164 0.000 0.435 106 A N 3.661 126.514 122.820 0.055 0.000 2.574 106 A HA 0.376 4.716 4.320 0.033 0.000 0.297 106 A C -1.682 175.898 177.584 -0.007 0.000 1.062 106 A CA -0.834 51.223 52.037 0.033 0.000 0.686 106 A CB 3.573 22.601 19.000 0.046 0.000 1.285 106 A HN 0.321 8.498 8.150 0.046 0.000 0.403 107 G N -1.097 107.696 108.800 -0.011 0.000 2.630 107 G HA2 0.064 4.145 3.960 -0.058 0.000 0.236 107 G HA3 0.064 4.016 3.960 -0.014 0.000 0.236 107 G C 1.039 175.879 174.900 -0.101 0.000 1.248 107 G CA -0.281 44.794 45.100 -0.041 0.000 0.844 107 G HN -0.005 8.586 8.290 0.003 -0.299 0.588 108 L N 1.387 122.464 121.223 -0.244 0.000 2.265 108 L HA -0.259 3.821 4.340 -0.432 0.000 0.215 108 L C 1.236 177.854 176.870 -0.420 0.000 1.117 108 L CA 2.480 57.000 54.840 -0.532 0.000 0.782 108 L CB -0.130 41.237 42.059 -1.153 0.000 0.914 108 L HN -0.402 7.681 8.230 -0.245 0.000 0.441 109 H N -6.789 112.250 119.070 -0.052 0.000 2.586 109 H HA 0.327 4.962 4.556 0.132 0.000 0.273 109 H C 0.165 175.511 175.328 0.030 0.000 0.997 109 H CA -0.309 55.772 56.048 0.056 0.000 1.177 109 H CB -0.151 29.647 29.762 0.060 0.000 1.471 109 H HN 0.019 8.271 8.280 0.005 0.031 0.538 110 E N 0.041 120.292 120.200 0.086 0.000 2.312 110 E HA 0.176 4.566 4.350 0.066 0.000 0.259 110 E C 0.032 176.656 176.600 0.039 0.000 1.122 110 E CA -0.491 55.944 56.400 0.058 0.000 0.922 110 E CB 1.566 31.288 29.700 0.038 0.000 1.109 110 E HN -0.667 7.560 8.360 0.042 0.158 0.442 111 c N -2.856 115.761 118.600 0.028 0.000 4.417 111 c HA -0.233 4.345 4.570 0.013 0.000 0.284 111 c C 0.598 174.689 174.090 0.002 0.000 1.379 111 c CA 0.009 56.347 56.329 0.016 0.000 1.918 111 c CB -2.607 39.916 42.510 0.021 0.000 1.280 111 c HN 0.904 9.150 8.230 0.027 0.000 0.783 112 G N -2.751 106.048 108.800 -0.001 0.000 2.136 112 G HA2 -0.435 3.499 3.960 -0.044 0.000 0.242 112 G HA3 -0.435 3.480 3.960 -0.076 0.000 0.242 112 G C -0.466 174.425 174.900 -0.014 0.000 0.989 112 G CA -0.119 44.958 45.100 -0.039 0.000 0.682 112 G HN 0.463 8.723 8.290 0.013 0.038 0.522 113 S N -0.422 115.303 115.700 0.043 0.000 2.580 113 S HA -0.080 4.549 4.470 0.089 -0.105 0.266 113 S C 0.006 174.668 174.600 0.103 0.000 1.354 113 S CA 0.242 58.493 58.200 0.085 0.000 1.008 113 S CB 1.885 65.147 63.200 0.104 0.000 0.898 113 S HN -0.760 7.579 8.310 0.048 0.000 0.555 114 V N 0.847 120.833 119.914 0.119 0.000 2.588 114 V HA 0.249 4.428 4.120 0.099 0.000 0.304 114 V C -1.743 174.357 176.094 0.010 0.000 1.042 114 V CA -0.997 61.362 62.300 0.099 0.000 0.877 114 V CB 3.070 34.991 31.823 0.163 0.000 0.996 114 V HN 0.036 8.297 8.190 0.119 0.000 0.425 115 V N 6.081 125.966 119.914 -0.049 0.000 2.483 115 V HA 0.697 4.778 4.120 -0.415 -0.210 0.295 115 V C -1.472 174.535 176.094 -0.145 0.000 1.035 115 V CA -2.963 59.175 62.300 -0.270 0.000 0.896 115 V CB 1.861 33.440 31.823 -0.407 0.000 0.986 115 V HN 0.243 8.438 8.190 0.008 0.000 0.447 116 Q N 8.676 128.368 119.800 -0.180 0.000 2.322 116 Q HA 0.337 4.671 4.340 -0.010 0.000 0.265 116 Q C -1.812 174.140 176.000 -0.080 0.000 0.985 116 Q CA -1.613 54.150 55.803 -0.066 0.000 0.849 116 Q CB 3.344 32.070 28.738 -0.019 0.000 1.274 116 Q HN 0.574 8.688 8.270 -0.261 0.000 0.449 117 V N 9.010 128.914 119.914 -0.018 0.000 2.318 117 V HA 0.297 4.405 4.120 -0.020 0.000 0.271 117 V C -0.388 175.725 176.094 0.032 0.000 1.030 117 V CA -1.005 61.294 62.300 -0.000 0.000 0.844 117 V CB 0.087 31.921 31.823 0.018 0.000 1.015 117 V HN 0.485 8.682 8.190 0.012 0.000 0.460 118 T N 4.248 118.825 114.554 0.038 0.000 2.884 118 T HA 0.546 4.929 4.350 0.055 0.000 0.277 118 T C -0.661 174.070 174.700 0.050 0.000 0.976 118 T CA -3.318 58.814 62.100 0.053 0.000 0.956 118 T CB 0.715 69.622 68.868 0.065 0.000 1.113 118 T HN 0.199 8.459 8.240 0.034 0.000 0.554 119 P HA -0.137 4.308 4.420 0.041 0.000 0.215 119 P C -0.075 177.254 177.300 0.047 0.000 1.153 119 P CA 2.500 65.626 63.100 0.044 0.000 0.853 119 P CB 0.063 31.786 31.700 0.038 0.000 0.788 120 D N -7.597 112.835 120.400 0.053 0.000 2.469 120 D HA 0.069 4.742 4.640 0.055 0.000 0.213 120 D C -1.084 175.261 176.300 0.075 0.000 1.135 120 D CA -0.711 53.323 54.000 0.057 0.000 0.834 120 D CB 1.328 42.157 40.800 0.049 0.000 1.009 120 D HN -0.314 8.089 8.370 0.055 0.000 0.507 121 T N -4.146 110.457 114.554 0.082 0.000 2.903 121 T HA 0.733 5.315 4.350 0.125 -0.157 0.299 121 T C -1.977 172.775 174.700 0.086 0.000 1.093 121 T CA -1.785 60.380 62.100 0.110 0.000 1.002 121 T CB 3.500 72.454 68.868 0.143 0.000 1.127 121 T HN -0.502 7.782 8.240 0.073 0.000 0.488 122 L N 2.460 123.751 121.223 0.115 0.000 2.296 122 L HA 0.672 5.138 4.340 -0.057 -0.160 0.286 122 L C -1.352 175.517 176.870 -0.001 0.000 1.023 122 L CA -1.224 53.629 54.840 0.021 0.000 0.812 122 L CB 2.309 44.411 42.059 0.072 0.000 1.223 122 L HN 0.339 8.678 8.230 0.182 0.000 0.421 123 I N 1.476 121.926 120.570 -0.200 0.000 2.418 123 I HA 0.542 4.770 4.170 -0.240 -0.202 0.287 123 I C -1.112 174.797 176.117 -0.347 0.000 1.008 123 I CA -1.378 59.758 61.300 -0.273 0.000 1.104 123 I CB 2.490 40.292 38.000 -0.330 0.000 1.264 123 I HN 0.421 8.488 8.210 -0.240 0.000 0.438 124 Y N 6.854 127.086 120.300 -0.113 0.000 2.331 124 Y HA 0.475 5.153 4.550 -0.079 -0.175 0.338 124 Y C -0.907 174.919 175.900 -0.124 0.000 0.992 124 Y CA -1.464 56.584 58.100 -0.086 0.000 1.121 124 Y CB 2.302 40.738 38.460 -0.041 0.000 1.184 124 Y HN 0.648 9.015 8.280 0.146 0.000 0.469 125 R N 3.496 124.003 120.500 0.012 0.000 2.561 125 R HA 0.871 5.347 4.340 -0.071 -0.179 0.297 125 R C -0.963 175.355 176.300 0.029 0.000 0.969 125 R CA -0.960 55.108 56.100 -0.053 0.000 0.879 125 R CB 3.745 33.934 30.300 -0.185 0.000 1.178 125 R HN 0.614 8.899 8.270 0.026 0.000 0.445 126 T N 2.335 116.902 114.554 0.021 0.000 2.587 126 T HA 0.372 4.785 4.350 0.105 0.000 0.282 126 T C -2.588 172.129 174.700 0.028 0.000 1.018 126 T CA -2.351 59.781 62.100 0.054 0.000 1.120 126 T CB 1.383 70.274 68.868 0.037 0.000 1.538 126 T HN 0.505 8.742 8.240 -0.005 0.000 0.480 127 L N -5.220 116.012 121.223 0.016 0.000 2.775 127 L HA 0.772 5.233 4.340 -0.017 -0.131 0.263 127 L C -2.412 174.419 176.870 -0.064 0.000 1.017 127 L CA -0.560 54.276 54.840 -0.006 0.000 0.891 127 L CB 3.379 45.459 42.059 0.036 0.000 1.482 127 L HN 0.070 8.306 8.230 0.011 0.000 0.410 128 I N -0.367 120.157 120.570 -0.076 0.000 2.339 128 I HA 0.487 4.658 4.170 -0.250 -0.150 0.290 128 I C -0.895 175.203 176.117 -0.032 0.000 0.994 128 I CA -2.363 58.850 61.300 -0.145 0.000 1.191 128 I CB 0.810 38.718 38.000 -0.153 0.000 1.343 128 I HN 0.239 8.421 8.210 -0.046 0.000 0.458 129 N N 7.875 126.563 118.700 -0.021 0.000 2.455 129 N HA 0.266 5.185 4.740 0.094 -0.122 0.280 129 N C -1.393 174.219 175.510 0.169 0.000 1.055 129 N CA -0.830 52.262 53.050 0.071 0.000 0.961 129 N CB 1.798 40.313 38.487 0.046 0.000 1.121 129 N HN 0.292 8.623 8.380 -0.081 0.000 0.476 130 Y N 5.674 126.030 120.300 0.092 0.000 2.356 130 Y HA 0.307 5.093 4.550 0.135 -0.154 0.334 130 Y C -2.359 173.610 175.900 0.114 0.000 0.958 130 Y CA -1.776 56.409 58.100 0.141 0.000 1.196 130 Y CB 2.081 40.693 38.460 0.253 0.000 1.137 130 Y HN 0.456 8.913 8.280 0.296 0.000 0.485 131 D N 9.596 129.809 120.400 -0.311 0.000 2.408 131 D HA 0.343 4.760 4.640 -0.372 0.000 0.261 131 D C -2.644 173.392 176.300 -0.439 0.000 1.190 131 D CA -1.948 51.847 54.000 -0.343 0.000 0.910 131 D CB 1.648 42.382 40.800 -0.111 0.000 1.097 131 D HN 0.082 8.366 8.370 -0.143 0.000 0.522 132 P HA -0.166 4.071 4.420 -0.305 0.000 0.265 132 P C -0.136 177.072 177.300 -0.153 0.000 1.187 132 P CA 0.169 63.041 63.100 -0.381 0.000 0.766 132 P CB 0.378 31.898 31.700 -0.299 0.000 0.820 133 S N 5.358 121.024 115.700 -0.056 0.000 2.568 133 S HA -0.017 4.437 4.470 -0.027 0.000 0.282 133 S C -1.065 173.521 174.600 -0.024 0.000 1.338 133 S CA -1.130 57.056 58.200 -0.023 0.000 1.045 133 S CB -0.582 62.624 63.200 0.009 0.000 0.873 133 S HN -0.035 8.261 8.310 -0.022 0.000 0.516 134 P HA -0.098 4.310 4.420 -0.020 0.000 0.267 134 P C -0.994 176.303 177.300 -0.004 0.000 1.201 134 P CA 0.101 63.193 63.100 -0.014 0.000 0.775 134 P CB 0.327 32.022 31.700 -0.008 0.000 0.854 135 A N 2.780 125.597 122.820 -0.004 0.000 2.386 135 A HA 0.031 4.353 4.320 0.005 0.000 0.248 135 A C 1.062 178.648 177.584 0.004 0.000 1.082 135 A CA -0.020 52.018 52.037 0.002 0.000 0.789 135 A CB 1.007 20.008 19.000 0.001 0.000 1.025 135 A HN 0.381 8.527 8.150 -0.006 0.000 0.490 136 S N -0.346 115.358 115.700 0.007 0.000 2.378 136 S HA -0.275 4.200 4.470 0.008 0.000 0.229 136 S C 0.472 175.075 174.600 0.005 0.000 1.052 136 S CA 2.421 60.625 58.200 0.007 0.000 1.084 136 S CB -0.033 63.172 63.200 0.008 0.000 0.950 136 S HN 0.176 8.491 8.310 0.008 0.000 0.440 137 N N 0.929 119.632 118.700 0.004 0.000 2.437 137 N HA 0.295 5.037 4.740 0.003 0.000 0.243 137 N C -1.709 173.802 175.510 0.002 0.000 1.041 137 N CA -2.442 50.610 53.050 0.003 0.000 0.940 137 N CB 0.355 38.844 38.487 0.003 0.000 1.133 137 N HN -0.334 8.048 8.380 0.005 0.000 0.506 138 P HA -0.026 4.393 4.420 -0.001 0.000 0.234 138 P C -0.295 177.005 177.300 -0.000 0.000 1.167 138 P CA 0.811 63.911 63.100 -0.000 0.000 0.763 138 P CB 0.114 31.814 31.700 0.000 0.000 0.835 139 V N -6.946 112.969 119.914 0.001 0.000 2.970 139 V HA -0.156 3.965 4.120 0.001 0.000 0.260 139 V C 0.319 176.413 176.094 0.000 0.000 1.100 139 V CA 0.724 63.024 62.300 0.001 0.000 1.122 139 V CB -0.081 31.742 31.823 0.001 0.000 0.721 139 V HN -0.678 7.704 8.190 0.001 -0.192 0.483 140 I N -4.074 116.495 120.570 -0.000 0.000 2.863 140 I HA 0.331 4.501 4.170 -0.001 0.000 0.311 140 I C -1.811 174.304 176.117 -0.004 0.000 1.026 140 I CA -1.212 60.087 61.300 -0.001 0.000 1.077 140 I CB 2.709 40.709 38.000 -0.000 0.000 1.262 140 I HN -0.879 7.300 8.210 -0.000 0.030 0.461 141 I N 1.125 121.692 120.570 -0.005 0.000 2.499 141 I HA 0.233 4.396 4.170 -0.011 0.000 0.288 141 I C -0.032 176.080 176.117 -0.009 0.000 1.048 141 I CA -0.204 61.090 61.300 -0.010 0.000 1.062 141 I CB 1.530 39.523 38.000 -0.011 0.000 1.238 141 I HN 0.081 8.288 8.210 -0.004 0.000 0.426 142 R N 5.932 126.427 120.500 -0.009 0.000 2.282 142 R HA 0.160 4.497 4.340 -0.006 0.000 0.195 142 R C -0.624 175.669 176.300 -0.011 0.000 0.909 142 R CA 0.393 56.489 56.100 -0.006 0.000 1.039 142 R CB 1.000 31.300 30.300 0.001 0.000 1.015 142 R HN 0.430 8.694 8.270 -0.010 0.000 0.513 143 T N 0.242 114.785 114.554 -0.018 0.000 3.071 143 T HA 0.132 4.465 4.350 -0.028 0.000 0.311 143 T C -1.699 172.977 174.700 -0.041 0.000 1.042 143 T CA -0.767 61.319 62.100 -0.022 0.000 1.028 143 T CB 1.293 70.167 68.868 0.010 0.000 1.068 143 T HN -0.615 7.612 8.240 -0.021 0.000 0.451 144 N N 5.156 123.835 118.700 -0.035 0.000 2.525 144 N HA 0.234 4.955 4.740 -0.031 0.000 0.271 144 N C -2.018 173.474 175.510 -0.029 0.000 1.194 144 N CA -1.205 51.829 53.050 -0.027 0.000 0.964 144 N CB 0.446 38.928 38.487 -0.009 0.000 1.126 144 N HN 0.126 8.483 8.380 -0.039 0.000 0.452 145 P HA 0.008 4.456 4.420 -0.170 -0.130 0.270 145 P C -1.580 175.793 177.300 0.121 0.000 1.223 145 P CA -0.115 62.962 63.100 -0.039 0.000 0.785 145 P CB 0.972 32.652 31.700 -0.033 0.000 0.923 146 A N -0.939 122.037 122.820 0.259 0.000 2.532 146 A HA 0.359 4.805 4.320 0.209 0.000 0.290 146 A C -2.431 175.294 177.584 0.235 0.000 1.143 146 A CA -0.897 51.316 52.037 0.293 0.000 0.728 146 A CB 3.225 22.507 19.000 0.470 0.000 1.317 146 A HN 0.083 8.408 8.150 0.292 0.000 0.414 147 V N 0.341 120.361 119.914 0.176 0.000 2.733 147 V HA 0.690 5.058 4.120 0.120 -0.176 0.306 147 V C -1.363 174.786 176.094 0.092 0.000 1.084 147 V CA -1.696 60.676 62.300 0.120 0.000 0.905 147 V CB 3.672 35.552 31.823 0.095 0.000 1.010 147 V HN 0.193 8.485 8.190 0.171 0.000 0.424 148 I N 6.726 127.329 120.570 0.056 0.000 2.410 148 I HA 0.466 4.656 4.170 0.034 0.000 0.286 148 I C -2.165 173.956 176.117 0.007 0.000 1.009 148 I CA -3.325 57.990 61.300 0.025 0.000 1.111 148 I CB 3.064 41.062 38.000 -0.003 0.000 1.262 148 I HN 0.482 8.719 8.210 0.046 0.000 0.443 149 P HA 0.208 4.745 4.420 -0.005 -0.119 0.275 149 P C -1.478 175.810 177.300 -0.020 0.000 1.227 149 P CA -0.725 62.372 63.100 -0.006 0.000 0.781 149 P CB 0.549 32.247 31.700 -0.004 0.000 0.906 150 I N 2.770 123.323 120.570 -0.028 0.000 2.545 150 I HA 0.237 4.393 4.170 -0.024 0.000 0.292 150 I C -1.615 174.479 176.117 -0.038 0.000 1.040 150 I CA -1.662 59.621 61.300 -0.027 0.000 1.068 150 I CB 3.688 41.673 38.000 -0.026 0.000 1.251 150 I HN 0.571 8.667 8.210 -0.028 0.097 0.424 151 E N 4.576 124.755 120.200 -0.035 0.000 2.314 151 E HA 0.729 5.214 4.350 -0.087 -0.188 0.272 151 E C -1.531 175.044 176.600 -0.042 0.000 0.884 151 E CA -1.493 54.867 56.400 -0.067 0.000 0.753 151 E CB 4.199 33.852 29.700 -0.077 0.000 1.213 151 E HN 0.177 8.525 8.360 -0.021 0.000 0.432 152 c N 3.236 121.796 118.600 -0.066 0.000 2.431 152 c HA 0.409 4.929 4.570 -0.082 0.000 0.321 152 c C -1.266 172.718 174.090 -0.178 0.000 1.202 152 c CA -0.904 55.382 56.329 -0.072 0.000 1.398 152 c CB 2.434 44.979 42.510 0.058 0.000 2.047 152 c HN 0.516 8.708 8.230 -0.062 0.000 0.465 153 H N 3.896 122.810 119.070 -0.260 0.000 2.457 153 H HA 0.861 5.563 4.556 -0.022 -0.159 0.335 153 H C -0.700 174.364 175.328 -0.440 0.000 1.115 153 H CA -0.943 54.993 56.048 -0.187 0.000 1.219 153 H CB 2.445 32.135 29.762 -0.121 0.000 1.471 153 H HN 0.252 8.468 8.280 -0.108 0.000 0.491 154 Y N 0.551 120.959 120.300 0.180 0.000 2.457 154 Y HA 0.257 4.879 4.550 0.119 0.000 0.343 154 Y C -2.161 173.804 175.900 0.108 0.000 0.994 154 Y CA -2.923 55.258 58.100 0.135 0.000 1.031 154 Y CB 2.845 41.393 38.460 0.147 0.000 1.246 154 Y HN 0.392 8.847 8.280 0.291 0.000 0.449 155 P HA 0.102 4.721 4.420 0.125 -0.124 0.268 155 P C -0.437 176.954 177.300 0.151 0.000 1.205 155 P CA -0.392 62.796 63.100 0.148 0.000 0.771 155 P CB 0.619 32.384 31.700 0.109 0.000 0.858 168 T N 0.631 115.251 114.554 0.110 0.000 2.874 168 T HA 0.163 4.610 4.350 0.161 0.000 0.281 168 T C -0.897 173.915 174.700 0.187 0.000 0.994 168 T CA -0.538 61.622 62.100 0.101 0.000 1.015 168 T CB 1.195 70.038 68.868 -0.042 0.000 1.028 168 T HN -0.047 8.236 8.240 0.072 0.000 0.523 169 W N 0.239 121.584 121.300 0.075 0.000 3.021 169 W HA 0.363 5.058 4.660 0.058 0.000 0.337 169 W C -2.441 174.134 176.519 0.094 0.000 1.171 169 W CA -1.990 55.397 57.345 0.070 0.000 1.060 169 W CB 1.498 30.987 29.460 0.049 0.000 1.472 169 W HN 0.096 8.074 8.180 -0.337 0.000 0.594 170 S N -1.140 114.790 115.700 0.384 0.000 2.677 170 S HA 0.435 4.956 4.470 0.085 0.000 0.283 170 S C -1.171 173.616 174.600 0.311 0.000 1.159 170 S CA -4.040 54.305 58.200 0.242 0.000 1.001 170 S CB 1.968 65.304 63.200 0.227 0.000 1.032 170 S HN 0.032 8.638 8.310 0.494 0.000 0.487 171 P HA -0.021 4.478 4.420 0.132 0.000 0.225 171 P C -0.445 176.719 177.300 -0.226 0.000 1.148 171 P CA 1.224 64.298 63.100 -0.044 0.000 0.779 171 P CB 0.217 31.723 31.700 -0.324 0.000 0.780 172 F N -3.619 116.391 119.950 0.100 0.000 2.676 172 F HA -0.020 4.551 4.527 0.073 0.000 0.300 172 F C 0.157 176.000 175.800 0.071 0.000 1.160 172 F CA 0.011 58.056 58.000 0.075 0.000 1.401 172 F CB -0.560 38.474 39.000 0.055 0.000 1.037 172 F HN -0.479 7.897 8.300 0.204 0.047 0.522 181 R N -0.599 119.633 120.500 -0.446 0.000 2.538 181 R HA 0.328 4.598 4.340 -0.118 0.000 0.292 181 R C -0.934 175.442 176.300 0.126 0.000 1.008 181 R CA -0.696 55.341 56.100 -0.105 0.000 0.896 181 R CB 1.195 31.447 30.300 -0.081 0.000 1.187 181 R HN -0.364 7.745 8.270 -0.268 0.000 0.440 182 L N 3.734 125.033 121.223 0.126 0.000 2.416 182 L HA 0.038 4.370 4.340 -0.014 0.000 0.272 182 L C 0.319 177.136 176.870 -0.090 0.000 1.161 182 L CA -0.329 54.481 54.840 -0.049 0.000 0.845 182 L CB 0.648 42.542 42.059 -0.275 0.000 1.119 182 L HN 0.240 8.540 8.230 0.116 0.000 0.464 183 V N 3.865 123.688 119.914 -0.152 0.000 2.334 183 V HA 0.150 4.288 4.120 0.029 0.000 0.281 183 V C -1.270 174.719 176.094 -0.175 0.000 1.016 183 V CA -0.835 61.425 62.300 -0.066 0.000 0.832 183 V CB 1.056 32.882 31.823 0.005 0.000 0.999 183 V HN 0.050 8.149 8.190 -0.152 0.000 0.439 184 F N 7.112 127.081 119.950 0.032 0.000 2.377 184 F HA 0.477 5.177 4.527 0.039 -0.149 0.328 184 F C 0.034 175.862 175.800 0.047 0.000 1.094 184 F CA -0.507 57.513 58.000 0.034 0.000 1.093 184 F CB 2.193 41.203 39.000 0.015 0.000 1.214 184 F HN 0.437 8.939 8.300 0.337 0.000 0.518 185 S N -1.603 114.244 115.700 0.244 0.000 2.537 185 S HA 0.361 4.933 4.470 0.170 0.000 0.271 185 S C -2.249 172.456 174.600 0.176 0.000 1.148 185 S CA -0.950 57.354 58.200 0.174 0.000 0.868 185 S CB 2.574 65.845 63.200 0.119 0.000 1.115 185 S HN 0.295 8.761 8.310 0.261 0.000 0.461 186 L N 2.602 123.920 121.223 0.159 0.000 2.341 186 L HA 0.766 5.380 4.340 0.147 -0.186 0.278 186 L C -0.111 176.832 176.870 0.121 0.000 1.005 186 L CA -0.973 53.954 54.840 0.145 0.000 0.818 186 L CB 2.690 44.841 42.059 0.154 0.000 1.259 186 L HN 0.328 8.649 8.230 0.153 0.000 0.418 187 R N 1.966 122.519 120.500 0.088 0.000 2.670 187 R HA 0.307 4.711 4.340 0.107 0.000 0.289 187 R C -2.141 174.149 176.300 -0.017 0.000 0.965 187 R CA -1.582 54.562 56.100 0.075 0.000 0.899 187 R CB 3.659 34.018 30.300 0.098 0.000 1.173 187 R HN 0.387 8.706 8.270 0.081 0.000 0.456 188 L N 4.489 125.651 121.223 -0.102 0.000 2.257 188 L HA 0.489 4.842 4.340 -0.231 -0.152 0.290 188 L C -1.115 175.663 176.870 -0.152 0.000 1.044 188 L CA -0.290 54.412 54.840 -0.230 0.000 0.810 188 L CB 1.432 43.180 42.059 -0.519 0.000 1.193 188 L HN 0.439 8.625 8.230 -0.073 0.000 0.425 189 M N 5.554 125.034 119.600 -0.200 0.000 2.644 189 M HA 0.517 5.048 4.480 -0.102 -0.112 0.316 189 M C -0.342 175.766 176.300 -0.319 0.000 1.200 189 M CA -3.228 51.949 55.300 -0.205 0.000 0.944 189 M CB 2.737 35.234 32.600 -0.171 0.000 1.691 189 M HN 0.564 8.692 8.290 -0.269 0.000 0.471 190 S N 1.527 117.084 115.700 -0.239 0.000 2.589 190 S HA -0.133 4.200 4.470 -0.227 0.000 0.265 190 S C 1.159 175.507 174.600 -0.420 0.000 1.342 190 S CA -0.145 57.905 58.200 -0.249 0.000 1.005 190 S CB 0.915 64.031 63.200 -0.140 0.000 0.909 190 S HN 0.371 8.587 8.310 -0.156 0.000 0.555 191 D N 0.489 120.690 120.400 -0.332 0.000 2.158 191 D HA -0.270 4.097 4.640 -0.456 0.000 0.197 191 D C 0.714 176.810 176.300 -0.341 0.000 0.995 191 D CA 3.156 56.943 54.000 -0.355 0.000 0.846 191 D CB -0.479 40.216 40.800 -0.174 0.000 0.941 191 D HN 0.581 8.806 8.370 -0.242 0.000 0.456 192 D N -4.096 116.204 120.400 -0.166 0.000 2.328 192 D HA -0.156 4.543 4.640 0.098 0.000 0.226 192 D C 0.184 176.590 176.300 0.176 0.000 1.066 192 D CA -0.206 53.809 54.000 0.025 0.000 0.861 192 D CB -1.103 39.718 40.800 0.036 0.000 0.912 192 D HN 0.038 8.307 8.370 -0.146 0.014 0.521 193 W N -4.458 116.840 121.300 -0.003 0.000 3.904 193 W HA -0.406 4.313 4.660 -0.008 -0.064 0.312 193 W C 0.218 176.737 176.519 0.000 0.000 1.159 193 W CA 1.112 58.456 57.345 -0.003 0.000 0.704 193 W CB -2.797 26.663 29.460 0.001 0.000 2.209 193 W HN 0.097 7.873 8.180 -0.353 0.193 1.468 194 S N -3.456 112.328 115.700 0.140 0.000 2.371 194 S HA -0.121 4.417 4.470 0.114 0.000 0.224 194 S C 0.518 175.163 174.600 0.075 0.000 1.029 194 S CA 2.207 60.465 58.200 0.097 0.000 0.978 194 S CB 0.873 64.107 63.200 0.057 0.000 0.833 194 S HN -0.352 8.243 8.310 0.087 -0.234 0.466 195 T N -1.953 112.629 114.554 0.046 0.000 2.778 195 T HA 0.320 4.702 4.350 0.054 0.000 0.293 195 T C -1.992 172.722 174.700 0.023 0.000 1.144 195 T CA -1.970 60.152 62.100 0.038 0.000 1.010 195 T CB 2.372 71.254 68.868 0.023 0.000 1.325 195 T HN -0.756 7.499 8.240 0.025 0.000 0.515 196 E N 1.116 121.337 120.200 0.036 0.000 2.349 196 E HA 0.131 4.618 4.350 0.020 -0.125 0.265 196 E C -0.317 176.296 176.600 0.021 0.000 1.064 196 E CA -0.116 56.307 56.400 0.038 0.000 0.886 196 E CB 1.374 31.125 29.700 0.085 0.000 1.036 196 E HN 0.171 8.559 8.360 0.046 0.000 0.413 197 R N 4.882 125.382 120.500 0.002 0.000 2.892 197 R HA 0.452 4.789 4.340 -0.005 0.000 0.265 197 R C -2.213 174.124 176.300 0.062 0.000 1.025 197 R CA -3.297 52.796 56.100 -0.011 0.000 0.982 197 R CB -0.042 30.205 30.300 -0.088 0.000 1.185 197 R HN -0.036 8.224 8.270 -0.016 0.000 0.484 198 P HA -0.011 4.574 4.420 0.274 0.000 0.268 198 P C -0.536 176.904 177.300 0.234 0.000 1.208 198 P CA -0.378 62.821 63.100 0.165 0.000 0.777 198 P CB 0.303 32.025 31.700 0.036 0.000 0.875 199 F N -1.712 118.293 119.950 0.092 0.000 2.797 199 F HA 0.101 4.842 4.527 0.356 0.000 0.302 199 F C 0.327 176.274 175.800 0.245 0.000 1.130 199 F CA -0.104 58.020 58.000 0.208 0.000 1.387 199 F CB -0.075 38.971 39.000 0.077 0.000 1.107 199 F HN 0.343 9.039 8.300 0.659 0.000 0.577 200 T N -4.830 109.858 114.554 0.224 0.000 2.949 200 T HA 0.157 4.618 4.350 0.185 0.000 0.287 200 T C -0.103 174.518 174.700 -0.131 0.000 1.034 200 T CA -1.757 60.405 62.100 0.103 0.000 1.018 200 T CB 2.422 71.325 68.868 0.058 0.000 1.135 200 T HN -0.618 7.643 8.240 0.157 0.074 0.532 201 G N 0.982 109.729 108.800 -0.088 0.000 2.149 201 G HA2 -0.309 3.592 3.960 -0.098 0.000 0.235 201 G HA3 -0.309 3.509 3.960 -0.237 0.000 0.235 201 G C -0.559 174.157 174.900 -0.306 0.000 1.018 201 G CA 0.149 45.137 45.100 -0.188 0.000 0.728 201 G HN 0.281 8.574 8.290 0.004 0.000 0.508 202 F N -0.224 119.696 119.950 -0.050 0.000 2.385 202 F HA 0.438 5.078 4.527 -0.075 -0.157 0.336 202 F C -0.103 175.663 175.800 -0.056 0.000 1.100 202 F CA -0.957 57.001 58.000 -0.070 0.000 1.116 202 F CB 1.494 40.435 39.000 -0.098 0.000 1.166 202 F HN -0.394 7.993 8.300 0.145 0.000 0.511 203 Q N 1.277 121.155 119.800 0.130 0.000 2.394 203 Q HA 0.218 4.593 4.340 0.058 0.000 0.273 203 Q C -0.867 175.167 176.000 0.056 0.000 1.089 203 Q CA -1.602 54.239 55.803 0.063 0.000 0.812 203 Q CB 3.046 31.799 28.738 0.023 0.000 1.353 203 Q HN 0.576 9.275 8.270 0.135 -0.348 0.438 204 L N 0.587 121.827 121.223 0.030 0.000 2.573 204 L HA -0.467 3.881 4.340 0.013 0.000 0.290 204 L C 1.659 178.542 176.870 0.021 0.000 1.247 204 L CA 2.276 57.127 54.840 0.019 0.000 0.876 204 L CB -0.465 41.602 42.059 0.014 0.000 1.123 204 L HN 0.398 8.644 8.230 0.026 0.000 0.505 205 G N 3.206 112.019 108.800 0.021 0.000 2.317 205 G HA2 -0.424 3.546 3.960 0.017 0.000 0.227 205 G HA3 -0.424 3.545 3.960 0.015 0.000 0.227 205 G C -0.135 174.779 174.900 0.025 0.000 1.042 205 G CA -0.234 44.877 45.100 0.019 0.000 0.623 205 G HN 0.478 8.781 8.290 0.021 0.000 0.509 206 D N 1.437 121.862 120.400 0.042 0.000 2.411 206 D HA 0.180 4.842 4.640 0.037 0.000 0.251 206 D C -1.402 174.928 176.300 0.051 0.000 1.201 206 D CA 0.236 54.274 54.000 0.063 0.000 0.996 206 D CB 1.135 42.029 40.800 0.155 0.000 1.101 206 D HN -0.198 8.136 8.370 0.049 0.066 0.504 207 I N -1.377 119.222 120.570 0.048 0.000 2.498 207 I HA 0.302 4.592 4.170 -0.002 -0.121 0.290 207 I C -0.504 175.602 176.117 -0.018 0.000 1.032 207 I CA -0.985 60.318 61.300 0.005 0.000 1.073 207 I CB 2.381 40.380 38.000 -0.003 0.000 1.251 207 I HN 0.184 8.426 8.210 0.054 0.000 0.426 208 L N 7.420 128.583 121.223 -0.101 0.000 2.315 208 L HA 0.146 4.384 4.340 -0.169 0.000 0.283 208 L C -1.160 175.594 176.870 -0.192 0.000 1.089 208 L CA -0.743 53.981 54.840 -0.193 0.000 0.833 208 L CB 0.207 42.084 42.059 -0.302 0.000 1.170 208 L HN 0.617 8.785 8.230 -0.103 0.000 0.442 209 N N 5.397 123.917 118.700 -0.301 0.000 2.462 209 N HA 0.240 4.925 4.740 -0.291 -0.119 0.242 209 N C -1.119 174.184 175.510 -0.344 0.000 1.010 209 N CA -0.583 52.172 53.050 -0.490 0.000 0.939 209 N CB 0.253 38.016 38.487 -1.205 0.000 1.127 209 N HN 0.473 8.676 8.380 -0.295 0.000 0.509 210 I N 3.849 124.270 120.570 -0.247 0.000 2.377 210 I HA 0.434 4.638 4.170 -0.235 -0.175 0.293 210 I C -1.700 174.304 176.117 -0.187 0.000 0.987 210 I CA -0.988 60.091 61.300 -0.370 0.000 1.185 210 I CB 2.061 39.579 38.000 -0.803 0.000 1.341 210 I HN 0.731 8.789 8.210 -0.253 0.000 0.455 211 Q N 7.936 127.755 119.800 0.031 0.000 2.341 211 Q HA 0.494 5.010 4.340 0.099 -0.116 0.268 211 Q C -1.917 174.148 176.000 0.110 0.000 1.013 211 Q CA -1.873 54.004 55.803 0.123 0.000 0.798 211 Q CB 3.197 32.070 28.738 0.225 0.000 1.253 211 Q HN 0.486 8.770 8.270 0.023 0.000 0.457 212 A N 7.453 130.380 122.820 0.178 0.000 2.310 212 A HA 0.815 5.433 4.320 0.217 -0.169 0.299 212 A C -1.643 176.045 177.584 0.172 0.000 1.147 212 A CA -1.677 50.500 52.037 0.234 0.000 0.818 212 A CB 2.216 21.436 19.000 0.366 0.000 1.096 212 A HN 0.887 9.164 8.150 0.211 0.000 0.495 213 E N 0.832 121.129 120.200 0.161 0.000 2.445 213 E HA 0.836 5.378 4.350 0.088 -0.139 0.279 213 E C -2.469 174.173 176.600 0.070 0.000 1.018 213 E CA -1.663 54.796 56.400 0.099 0.000 0.816 213 E CB 4.497 34.235 29.700 0.063 0.000 1.356 213 E HN 0.442 8.910 8.360 0.181 0.000 0.462 214 V N 0.951 120.846 119.914 -0.032 0.000 2.686 214 V HA 0.479 4.592 4.120 -0.291 -0.168 0.306 214 V C -1.485 174.535 176.094 -0.124 0.000 1.065 214 V CA -2.730 59.438 62.300 -0.221 0.000 0.894 214 V CB 2.978 34.546 31.823 -0.425 0.000 1.004 214 V HN -0.484 7.694 8.190 -0.020 0.000 0.424 215 S N 6.671 122.303 115.700 -0.114 0.000 2.553 215 S HA -0.111 4.361 4.470 0.002 0.000 0.293 215 S C 0.394 175.062 174.600 0.114 0.000 1.296 215 S CA 1.056 59.256 58.200 -0.000 0.000 1.046 215 S CB 0.633 63.847 63.200 0.023 0.000 0.810 215 S HN 0.167 8.376 8.310 -0.168 0.000 0.505 216 T N -4.446 110.128 114.554 0.034 0.000 3.040 216 T HA 0.087 4.375 4.350 -0.103 0.000 0.266 216 T C -0.108 174.340 174.700 -0.420 0.000 1.005 216 T CA -0.879 61.135 62.100 -0.144 0.000 0.906 216 T CB 0.507 69.296 68.868 -0.132 0.000 1.082 216 T HN 0.337 8.578 8.240 0.001 0.000 0.531 217 E N 3.814 123.909 120.200 -0.174 0.000 2.366 217 E HA -0.124 4.138 4.350 -0.147 0.000 0.266 217 E C -0.476 175.992 176.600 -0.221 0.000 1.015 217 E CA 1.021 57.343 56.400 -0.130 0.000 0.906 217 E CB -0.308 29.416 29.700 0.041 0.000 0.979 217 E HN -0.223 8.123 8.360 -0.024 0.000 0.443 218 N N -0.111 118.448 118.700 -0.236 0.000 2.700 218 N HA -0.362 4.250 4.740 -0.214 0.000 0.265 218 N C -1.554 173.707 175.510 -0.414 0.000 0.975 218 N CA 1.264 54.192 53.050 -0.204 0.000 0.800 218 N CB -2.094 36.404 38.487 0.018 0.000 0.908 218 N HN 0.421 8.679 8.380 -0.204 0.000 0.551 219 H N -7.021 111.756 119.070 -0.488 0.000 2.966 219 H HA 0.508 4.668 4.556 -0.802 -0.085 0.330 219 H C -0.181 174.910 175.328 -0.394 0.000 1.292 219 H CA -1.908 53.688 56.048 -0.753 0.000 1.127 219 H CB 2.230 31.175 29.762 -1.362 0.000 1.863 219 H HN -0.793 6.945 8.280 -0.903 0.000 0.543 220 V N -2.897 116.969 119.914 -0.081 0.000 2.999 220 V HA 0.091 4.181 4.120 -0.050 0.000 0.307 220 V C -1.448 174.689 176.094 0.072 0.000 1.084 220 V CA -1.605 60.688 62.300 -0.011 0.000 1.155 220 V CB -0.598 31.236 31.823 0.018 0.000 0.975 220 V HN -0.386 7.723 8.190 -0.135 0.000 0.490 221 P HA -0.002 4.422 4.420 0.007 0.000 0.268 221 P C -1.388 175.939 177.300 0.045 0.000 1.204 221 P CA 0.270 63.377 63.100 0.013 0.000 0.768 221 P CB 0.311 31.997 31.700 -0.023 0.000 0.842 222 L N 0.400 121.653 121.223 0.050 0.000 2.354 222 L HA 0.621 5.140 4.340 0.072 -0.136 0.264 222 L C -0.639 176.221 176.870 -0.016 0.000 1.008 222 L CA -1.975 52.896 54.840 0.051 0.000 0.819 222 L CB 3.973 46.067 42.059 0.057 0.000 1.339 222 L HN 0.068 8.325 8.230 0.045 0.000 0.420 223 R N 1.032 121.503 120.500 -0.049 0.000 2.460 223 R HA 0.321 4.664 4.340 -0.190 -0.117 0.303 223 R C -1.720 174.415 176.300 -0.275 0.000 0.968 223 R CA -1.319 54.662 56.100 -0.198 0.000 0.889 223 R CB 3.273 33.411 30.300 -0.270 0.000 1.123 223 R HN 0.019 8.284 8.270 -0.009 0.000 0.455 224 L N 5.431 126.451 121.223 -0.337 0.000 2.295 224 L HA 0.573 5.014 4.340 -0.052 -0.132 0.285 224 L C -2.191 174.419 176.870 -0.434 0.000 1.035 224 L CA -0.681 54.036 54.840 -0.204 0.000 0.806 224 L CB 2.525 44.571 42.059 -0.023 0.000 1.214 224 L HN -0.016 8.019 8.230 -0.326 0.000 0.426 225 F N 5.579 125.579 119.950 0.084 0.000 2.579 225 F HA 0.352 4.867 4.527 -0.020 0.000 0.324 225 F C -1.248 174.591 175.800 0.065 0.000 1.058 225 F CA -1.305 56.712 58.000 0.029 0.000 0.944 225 F CB 4.104 43.108 39.000 0.007 0.000 1.245 225 F HN 0.663 9.056 8.300 0.153 0.000 0.477 226 V N 1.405 121.486 119.914 0.279 0.000 2.326 226 V HA 0.211 4.567 4.120 0.185 -0.125 0.281 226 V C -0.798 175.393 176.094 0.162 0.000 1.015 226 V CA -0.671 61.750 62.300 0.203 0.000 0.823 226 V CB 1.046 32.979 31.823 0.182 0.000 1.009 226 V HN 0.327 8.679 8.190 0.270 0.000 0.436 227 D N 6.007 126.502 120.400 0.158 0.000 2.149 227 D HA -0.069 4.608 4.640 0.061 0.000 0.201 227 D C -0.463 175.854 176.300 0.028 0.000 0.972 227 D CA 2.956 57.013 54.000 0.095 0.000 0.835 227 D CB 1.186 42.061 40.800 0.125 0.000 0.966 227 D HN 0.078 8.564 8.370 0.193 0.000 0.476 228 S N -7.462 108.264 115.700 0.043 0.000 2.547 228 S HA 0.264 4.742 4.470 -0.069 -0.050 0.270 228 S C -1.973 172.636 174.600 0.015 0.000 1.150 228 S CA -1.020 57.165 58.200 -0.025 0.000 0.850 228 S CB 2.157 65.315 63.200 -0.070 0.000 1.118 228 S HN -0.783 7.586 8.310 0.099 0.000 0.461 229 c N 1.515 120.104 118.600 -0.018 0.000 2.482 229 c HA 0.701 5.513 4.570 0.083 -0.192 0.317 229 c C -1.341 172.767 174.090 0.030 0.000 1.197 229 c CA -0.903 55.454 56.329 0.047 0.000 1.432 229 c CB 3.209 45.773 42.510 0.088 0.000 2.062 229 c HN 0.267 8.457 8.230 -0.067 0.000 0.471 230 V N 3.722 123.686 119.914 0.084 0.000 2.531 230 V HA 0.435 4.754 4.120 0.087 -0.147 0.301 230 V C -1.847 174.390 176.094 0.239 0.000 1.034 230 V CA -1.542 60.827 62.300 0.115 0.000 0.865 230 V CB 4.076 35.932 31.823 0.055 0.000 0.995 230 V HN 0.532 8.784 8.190 0.103 0.000 0.424 231 A N 6.376 129.431 122.820 0.392 0.000 2.316 231 A HA 1.058 5.838 4.320 0.433 -0.200 0.284 231 A C -1.828 176.139 177.584 0.639 0.000 1.115 231 A CA -1.956 50.416 52.037 0.559 0.000 0.812 231 A CB 2.372 21.846 19.000 0.789 0.000 1.064 231 A HN 0.523 8.915 8.150 0.404 0.000 0.489 232 A N 0.436 123.539 122.820 0.471 0.000 2.493 232 A HA 0.596 4.915 4.320 -0.203 -0.121 0.300 232 A C -1.626 175.976 177.584 0.029 0.000 1.152 232 A CA -0.278 51.812 52.037 0.090 0.000 0.643 232 A CB 2.844 21.900 19.000 0.092 0.000 1.316 232 A HN 0.229 8.654 8.150 0.458 0.000 0.469 233 L N -1.837 119.300 121.223 -0.143 0.000 2.592 233 L HA 0.175 4.584 4.340 0.114 0.000 0.227 233 L C -0.559 176.401 176.870 0.150 0.000 1.127 233 L CA 0.049 54.898 54.840 0.016 0.000 0.884 233 L CB 0.262 42.263 42.059 -0.097 0.000 1.065 233 L HN 0.638 8.728 8.230 -0.233 0.000 0.457 234 S N -3.601 112.113 115.700 0.024 0.000 2.638 234 S HA 0.324 4.475 4.470 -0.532 0.000 0.274 234 S C -2.209 172.164 174.600 -0.378 0.000 1.157 234 S CA -2.727 55.302 58.200 -0.285 0.000 0.826 234 S CB 1.714 64.799 63.200 -0.192 0.000 1.139 234 S HN -0.779 7.492 8.310 0.011 0.046 0.474 235 P HA -0.080 4.209 4.420 -0.218 0.000 0.221 235 P C -1.010 176.221 177.300 -0.115 0.000 1.145 235 P CA 1.169 64.086 63.100 -0.306 0.000 0.795 235 P CB 0.257 31.787 31.700 -0.283 0.000 0.775 236 D N -1.812 118.519 120.400 -0.115 0.000 2.352 236 D HA -0.026 4.582 4.640 -0.053 0.000 0.245 236 D C 0.664 176.936 176.300 -0.047 0.000 1.224 236 D CA -1.082 52.879 54.000 -0.066 0.000 0.879 236 D CB 0.131 40.893 40.800 -0.064 0.000 1.057 236 D HN -0.789 7.464 8.370 -0.148 0.029 0.491 237 G N 4.015 112.793 108.800 -0.037 0.000 2.679 237 G HA2 -0.100 3.865 3.960 0.009 0.000 0.212 237 G HA3 -0.100 3.839 3.960 -0.034 0.000 0.212 237 G C 0.234 175.024 174.900 -0.184 0.000 1.137 237 G CA 0.759 45.832 45.100 -0.046 0.000 0.787 237 G HN 0.284 8.555 8.290 -0.031 0.000 0.534 238 D N -0.883 119.422 120.400 -0.159 0.000 2.349 238 D HA 0.156 4.576 4.640 -0.367 0.000 0.215 238 D C 0.241 176.483 176.300 -0.097 0.000 1.016 238 D CA 0.334 54.210 54.000 -0.207 0.000 0.870 238 D CB 0.484 41.213 40.800 -0.119 0.000 0.917 238 D HN -0.395 8.162 8.370 -0.106 -0.250 0.524 239 S N -0.248 115.434 115.700 -0.030 0.000 2.614 239 S HA -0.012 4.474 4.470 0.027 0.000 0.265 239 S C -0.472 174.218 174.600 0.149 0.000 1.303 239 S CA -0.012 58.206 58.200 0.031 0.000 1.000 239 S CB 1.222 64.415 63.200 -0.012 0.000 0.935 239 S HN -0.660 7.575 8.310 -0.046 0.048 0.551 240 S N 1.881 117.638 115.700 0.096 0.000 2.451 240 S HA 0.363 4.904 4.470 0.118 0.000 0.301 240 S C -1.683 172.889 174.600 -0.046 0.000 1.116 240 S CA -2.259 55.980 58.200 0.066 0.000 1.093 240 S CB 0.721 63.950 63.200 0.047 0.000 1.017 240 S HN 0.194 8.537 8.310 0.054 0.000 0.482 241 P HA 0.283 4.650 4.420 -0.088 0.000 0.281 241 P C -2.296 174.902 177.300 -0.169 0.000 1.264 241 P CA -0.974 62.039 63.100 -0.146 0.000 0.824 241 P CB 1.151 32.784 31.700 -0.112 0.000 1.092 242 H N -6.009 113.127 119.070 0.109 0.000 2.990 242 H HA 0.427 5.291 4.556 0.276 -0.142 0.336 242 H C -2.530 173.104 175.328 0.510 0.000 1.306 242 H CA -1.386 54.825 56.048 0.272 0.000 1.118 242 H CB 2.708 32.546 29.762 0.127 0.000 1.856 242 H HN -0.234 7.892 8.280 -0.256 0.000 0.538 243 Y N 0.131 120.722 120.300 0.485 0.000 2.358 243 Y HA 0.063 4.679 4.550 0.110 0.000 0.324 243 Y C -2.820 173.181 175.900 0.169 0.000 1.123 243 Y CA 0.219 58.440 58.100 0.200 0.000 1.067 243 Y CB 3.024 41.455 38.460 -0.049 0.000 1.230 243 Y HN 0.336 9.047 8.280 0.719 0.000 0.429 244 A N 8.374 130.870 122.820 -0.540 0.000 2.347 244 A HA 0.107 4.408 4.320 -0.246 -0.128 0.287 244 A C -1.467 175.661 177.584 -0.760 0.000 1.199 244 A CA -0.246 51.509 52.037 -0.469 0.000 0.851 244 A CB -0.070 18.719 19.000 -0.352 0.000 1.118 244 A HN 0.330 8.189 8.150 -0.485 0.000 0.525 245 I N 2.371 122.713 120.570 -0.380 0.000 2.494 245 I HA -0.076 3.929 4.170 -0.275 0.000 0.250 245 I C -0.127 175.880 176.117 -0.182 0.000 1.112 245 I CA 2.278 63.451 61.300 -0.212 0.000 1.438 245 I CB 1.119 39.155 38.000 0.061 0.000 1.111 245 I HN -0.064 8.024 8.210 -0.203 0.000 0.431 246 I N -3.346 117.112 120.570 -0.186 0.000 2.545 246 I HA 0.498 4.752 4.170 -0.156 -0.177 0.292 246 I C -1.701 174.271 176.117 -0.243 0.000 1.040 246 I CA -1.101 60.092 61.300 -0.178 0.000 1.068 246 I CB 3.443 41.350 38.000 -0.155 0.000 1.251 246 I HN -0.831 7.281 8.210 -0.163 0.000 0.424 247 D N 5.391 125.592 120.400 -0.332 0.000 2.643 247 D HA 0.278 4.667 4.640 -0.419 0.000 0.283 247 D C -1.251 174.773 176.300 -0.459 0.000 1.242 247 D CA -1.300 52.347 54.000 -0.589 0.000 0.863 247 D CB 4.234 44.349 40.800 -1.142 0.000 1.382 247 D HN 0.374 8.586 8.370 -0.264 0.000 0.444 248 F N -4.273 115.626 119.950 -0.084 0.000 3.027 248 F HA -0.455 4.011 4.527 -0.102 0.000 0.276 248 F C -1.204 174.529 175.800 -0.111 0.000 0.967 248 F CA 0.320 58.256 58.000 -0.107 0.000 0.929 248 F CB -2.544 36.373 39.000 -0.139 0.000 0.873 248 F HN 0.402 8.473 8.300 -0.381 0.000 0.787 249 N N -3.736 114.976 118.700 0.020 0.000 2.708 249 N HA -0.398 4.523 4.740 -0.026 -0.197 0.255 249 N C 0.321 175.806 175.510 -0.042 0.000 1.046 249 N CA 1.358 54.393 53.050 -0.025 0.000 0.715 249 N CB -1.390 37.067 38.487 -0.050 0.000 0.895 249 N HN 0.038 8.412 8.380 -0.011 0.000 0.545 250 G N -6.339 102.464 108.800 0.004 0.000 2.144 250 G HA2 -0.485 3.747 3.960 0.136 0.000 0.218 250 G HA3 -0.485 3.689 3.960 -0.008 -0.219 0.218 250 G C -1.020 173.977 174.900 0.162 0.000 0.988 250 G CA 0.229 45.368 45.100 0.066 0.000 0.659 250 G HN -0.068 8.224 8.290 0.003 0.000 0.522 251 c N 1.574 120.228 118.600 0.091 0.000 2.373 251 c HA 0.114 4.798 4.570 0.189 0.000 0.354 251 c C -0.190 174.017 174.090 0.194 0.000 1.249 251 c CA 0.400 56.801 56.329 0.121 0.000 1.784 251 c CB -1.541 40.943 42.510 -0.044 0.000 2.408 251 c HN -0.018 8.234 8.230 0.038 0.000 0.542 252 L N 6.793 128.227 121.223 0.351 0.000 2.382 252 L HA 0.230 4.554 4.340 -0.026 0.000 0.259 252 L C 0.648 177.666 176.870 0.248 0.000 1.291 252 L CA -0.618 54.294 54.840 0.120 0.000 1.176 252 L CB -0.646 41.323 42.059 -0.150 0.000 1.373 252 L HN 0.299 8.841 8.230 0.520 0.000 0.426 253 V N 0.940 120.960 119.914 0.177 0.000 2.759 253 V HA -0.442 3.967 4.120 0.481 0.000 0.256 253 V C 1.351 177.513 176.094 0.112 0.000 1.080 253 V CA 2.804 65.241 62.300 0.228 0.000 1.101 253 V CB -0.188 31.677 31.823 0.070 0.000 0.698 253 V HN -0.050 8.151 8.190 0.053 0.021 0.477 254 D N 1.696 122.130 120.400 0.056 0.000 2.218 254 D HA -0.199 4.523 4.640 0.137 0.000 0.204 254 D C 1.774 178.125 176.300 0.084 0.000 0.976 254 D CA 3.098 57.158 54.000 0.100 0.000 0.853 254 D CB 0.059 40.946 40.800 0.145 0.000 0.939 254 D HN -0.392 7.961 8.370 0.019 0.029 0.481 255 G N -2.709 106.136 108.800 0.076 0.000 2.813 255 G HA2 -0.092 3.907 3.960 0.065 0.000 0.209 255 G HA3 -0.092 4.044 3.960 0.072 -0.133 0.209 255 G C 0.492 175.404 174.900 0.019 0.000 1.150 255 G CA 0.639 45.776 45.100 0.062 0.000 0.785 255 G HN -0.362 7.958 8.290 0.090 0.024 0.535 256 R N 0.694 121.145 120.500 -0.082 0.000 2.200 256 R HA -0.060 3.826 4.340 -0.757 0.000 0.208 256 R C -0.020 176.114 176.300 -0.276 0.000 1.033 256 R CA 0.206 56.066 56.100 -0.400 0.000 1.000 256 R CB 0.487 30.612 30.300 -0.292 0.000 0.906 256 R HN -0.463 7.633 8.270 -0.010 0.168 0.462 257 V N -7.448 112.410 119.914 -0.094 0.000 3.046 257 V HA 0.382 4.449 4.120 -0.089 0.000 0.316 257 V C -0.930 175.147 176.094 -0.028 0.000 1.104 257 V CA -2.017 60.246 62.300 -0.062 0.000 1.006 257 V CB 2.436 34.242 31.823 -0.029 0.000 1.058 257 V HN -0.854 7.266 8.190 -0.044 0.044 0.440 258 D N 0.833 121.216 120.400 -0.029 0.000 3.321 258 D HA -0.299 4.328 4.640 -0.022 0.000 0.178 258 D C -1.144 175.153 176.300 -0.005 0.000 1.208 258 D CA 1.975 55.962 54.000 -0.022 0.000 1.074 258 D CB -0.626 40.152 40.800 -0.036 0.000 0.560 258 D HN 0.453 8.803 8.370 -0.033 0.000 0.618 259 D N 1.754 122.153 120.400 -0.001 0.000 2.593 259 D HA 0.092 4.741 4.640 0.016 0.000 0.241 259 D C -0.348 175.964 176.300 0.021 0.000 1.257 259 D CA 0.127 54.134 54.000 0.011 0.000 0.828 259 D CB -0.130 40.675 40.800 0.007 0.000 1.049 259 D HN 0.238 8.603 8.370 -0.007 0.000 0.490 260 T N -1.269 113.300 114.554 0.025 0.000 2.860 260 T HA 0.142 4.516 4.350 0.041 0.000 0.299 260 T C 0.443 175.172 174.700 0.048 0.000 1.045 260 T CA -0.228 61.896 62.100 0.041 0.000 1.071 260 T CB 0.934 69.834 68.868 0.053 0.000 0.985 260 T HN -0.656 7.596 8.240 0.020 0.000 0.537 261 S N 0.667 116.400 115.700 0.054 0.000 2.664 261 S HA 0.154 4.655 4.470 0.050 0.000 0.245 261 S C 0.267 174.909 174.600 0.070 0.000 1.019 261 S CA -0.800 57.433 58.200 0.055 0.000 0.996 261 S CB 0.646 63.876 63.200 0.049 0.000 0.878 261 S HN 0.044 8.814 8.310 0.057 -0.425 0.493 262 S N 2.073 117.820 115.700 0.077 0.000 2.544 262 S HA 0.130 4.858 4.470 0.100 -0.198 0.290 262 S C -1.085 173.556 174.600 0.068 0.000 1.276 262 S CA 1.501 59.753 58.200 0.086 0.000 1.075 262 S CB 0.407 63.664 63.200 0.095 0.000 0.849 262 S HN -0.676 7.638 8.310 0.076 0.042 0.494 263 A N 4.386 127.250 122.820 0.074 0.000 2.608 263 A HA 0.281 4.618 4.320 0.028 0.000 0.292 263 A C -2.316 175.326 177.584 0.096 0.000 1.066 263 A CA -0.277 51.802 52.037 0.070 0.000 0.676 263 A CB 3.017 22.087 19.000 0.116 0.000 1.277 263 A HN 0.037 8.250 8.150 0.104 0.000 0.413 264 F N -0.751 119.329 119.950 0.216 0.000 2.459 264 F HA 0.101 4.949 4.527 0.333 -0.121 0.346 264 F C 0.536 176.431 175.800 0.157 0.000 1.128 264 F CA 1.683 59.820 58.000 0.229 0.000 1.268 264 F CB 1.026 40.129 39.000 0.171 0.000 1.161 264 F HN -0.153 8.292 8.300 0.240 0.000 0.583 265 I N 3.228 123.987 120.570 0.316 0.000 2.472 265 I HA 0.111 4.363 4.170 0.137 0.000 0.290 265 I C -0.356 175.812 176.117 0.085 0.000 1.016 265 I CA -1.313 60.064 61.300 0.128 0.000 1.348 265 I CB 0.152 38.117 38.000 -0.059 0.000 1.417 265 I HN 0.340 8.758 8.210 0.347 0.000 0.521 266 T N 6.991 121.576 114.554 0.051 0.000 2.893 266 T HA 0.396 4.752 4.350 0.010 0.000 0.293 266 T C -1.692 173.006 174.700 -0.003 0.000 1.027 266 T CA -2.368 59.747 62.100 0.024 0.000 0.988 266 T CB 1.608 70.503 68.868 0.045 0.000 1.043 266 T HN -0.165 8.108 8.240 0.055 0.000 0.461 267 P HA 0.247 4.659 4.420 -0.013 0.000 0.278 267 P C -0.859 176.407 177.300 -0.057 0.000 1.266 267 P CA -0.888 62.196 63.100 -0.027 0.000 0.807 267 P CB 1.297 32.982 31.700 -0.025 0.000 1.094 268 R N -0.485 119.981 120.500 -0.057 0.000 2.694 268 R HA 0.011 4.293 4.340 -0.096 0.000 0.268 268 R C -0.633 175.617 176.300 -0.083 0.000 1.061 268 R CA -0.442 55.611 56.100 -0.079 0.000 1.133 268 R CB -0.671 29.585 30.300 -0.074 0.000 1.020 268 R HN 0.286 8.528 8.270 -0.046 0.000 0.475 269 P HA -0.038 4.338 4.420 -0.074 0.000 0.218 269 P C -0.905 176.360 177.300 -0.058 0.000 1.152 269 P CA 0.722 63.775 63.100 -0.079 0.000 0.826 269 P CB 0.497 32.146 31.700 -0.084 0.000 0.790 270 R N -4.881 115.583 120.500 -0.059 0.000 2.739 270 R HA 0.210 4.520 4.340 -0.051 0.000 0.271 270 R C 0.120 176.381 176.300 -0.066 0.000 1.010 270 R CA -1.299 54.768 56.100 -0.054 0.000 0.897 270 R CB 3.049 33.322 30.300 -0.046 0.000 1.236 270 R HN -0.733 7.498 8.270 -0.065 0.000 0.466 271 E N 0.936 121.094 120.200 -0.070 0.000 2.268 271 E HA -0.290 3.994 4.350 -0.111 0.000 0.195 271 E C 0.213 176.746 176.600 -0.111 0.000 0.995 271 E CA 2.573 58.915 56.400 -0.097 0.000 0.836 271 E CB -0.068 29.579 29.700 -0.087 0.000 0.763 271 E HN 0.582 8.905 8.360 -0.061 0.000 0.491 272 D N -5.321 115.036 120.400 -0.071 0.000 2.395 272 D HA 0.025 4.623 4.640 -0.070 0.000 0.226 272 D C -1.200 175.080 176.300 -0.032 0.000 1.146 272 D CA -0.680 53.288 54.000 -0.053 0.000 0.830 272 D CB -1.207 39.578 40.800 -0.024 0.000 0.958 272 D HN 0.098 8.406 8.370 -0.059 0.027 0.501 273 V N -2.163 117.727 119.914 -0.040 0.000 2.789 273 V HA 0.523 4.801 4.120 0.022 -0.145 0.311 273 V C -2.061 174.027 176.094 -0.010 0.000 1.073 273 V CA -1.691 60.603 62.300 -0.009 0.000 0.921 273 V CB 4.031 35.842 31.823 -0.020 0.000 1.009 273 V HN -0.542 7.542 8.190 -0.060 0.071 0.426 274 L N 6.260 127.521 121.223 0.064 0.000 2.439 274 L HA 0.527 4.907 4.340 0.066 0.000 0.270 274 L C -2.610 174.404 176.870 0.240 0.000 0.972 274 L CA -1.047 53.873 54.840 0.134 0.000 0.836 274 L CB 3.880 46.045 42.059 0.177 0.000 1.255 274 L HN 0.454 8.744 8.230 0.100 0.000 0.404 275 R N 4.726 125.320 120.500 0.157 0.000 2.532 275 R HA 0.866 5.398 4.340 0.039 -0.169 0.295 275 R C -0.684 175.851 176.300 0.393 0.000 0.968 275 R CA -1.095 55.027 56.100 0.037 0.000 0.916 275 R CB 2.582 32.513 30.300 -0.615 0.000 1.124 275 R HN 0.233 8.560 8.270 0.095 0.000 0.463 276 F N -2.259 117.854 119.950 0.272 0.000 2.668 276 F HA 0.722 5.468 4.527 0.187 -0.107 0.309 276 F C -2.625 173.328 175.800 0.256 0.000 1.117 276 F CA -2.030 56.087 58.000 0.194 0.000 0.951 276 F CB 3.289 42.231 39.000 -0.096 0.000 1.323 276 F HN 0.697 8.950 8.300 -0.079 0.000 0.451 277 R N -0.759 119.929 120.500 0.314 0.000 2.437 277 R HA 0.883 5.510 4.340 0.120 -0.215 0.310 277 R C -1.258 175.140 176.300 0.163 0.000 0.955 277 R CA -1.336 54.878 56.100 0.191 0.000 0.851 277 R CB 3.240 33.658 30.300 0.198 0.000 1.161 277 R HN 0.416 8.872 8.270 0.310 0.000 0.446 278 I N 4.400 125.035 120.570 0.109 0.000 2.418 278 I HA 0.308 4.569 4.170 0.151 0.000 0.287 278 I C -1.066 175.093 176.117 0.069 0.000 1.008 278 I CA -3.556 57.819 61.300 0.126 0.000 1.104 278 I CB 1.679 39.774 38.000 0.158 0.000 1.264 278 I HN 0.437 8.677 8.210 0.050 0.000 0.438 279 D N 7.406 127.865 120.400 0.099 0.000 2.458 279 D HA -0.080 4.586 4.640 0.043 0.000 0.243 279 D C 0.279 176.619 176.300 0.067 0.000 1.146 279 D CA 1.643 55.688 54.000 0.075 0.000 0.877 279 D CB 0.107 40.958 40.800 0.085 0.000 1.176 279 D HN -0.296 8.144 8.370 0.117 0.000 0.461 280 V N 4.208 124.104 119.914 -0.030 0.000 2.872 280 V HA -0.218 3.702 4.120 -0.333 0.000 0.307 280 V C -0.682 175.367 176.094 -0.076 0.000 1.072 280 V CA 1.823 64.020 62.300 -0.172 0.000 1.148 280 V CB 0.393 32.131 31.823 -0.142 0.000 0.954 280 V HN -0.094 8.084 8.190 -0.020 0.000 0.490 281 F N 3.226 123.093 119.950 -0.137 0.000 2.715 281 F HA 0.608 5.046 4.527 -0.148 0.000 0.318 281 F C -2.040 173.641 175.800 -0.198 0.000 1.141 281 F CA -1.536 56.353 58.000 -0.185 0.000 0.950 281 F CB 2.074 40.904 39.000 -0.283 0.000 1.374 281 F HN -0.284 7.482 8.300 -0.889 0.000 0.477 282 R N -1.440 119.103 120.500 0.071 0.000 2.836 282 R HA 0.215 4.533 4.340 -0.037 0.000 0.269 282 R C -1.867 174.436 176.300 0.005 0.000 1.010 282 R CA -1.592 54.518 56.100 0.017 0.000 0.930 282 R CB 2.184 32.504 30.300 0.033 0.000 1.218 282 R HN -0.106 8.230 8.270 0.111 0.000 0.473 283 F N 0.380 120.413 119.950 0.139 0.000 2.404 283 F HA 0.074 4.657 4.527 0.094 0.000 0.345 283 F C 0.426 176.257 175.800 0.051 0.000 1.110 283 F CA -0.643 57.418 58.000 0.101 0.000 1.130 283 F CB 1.132 40.198 39.000 0.109 0.000 1.129 283 F HN 0.493 9.020 8.300 0.379 0.000 0.500 284 A N 4.594 127.525 122.820 0.185 0.000 2.540 284 A HA -0.131 4.236 4.320 0.080 0.000 0.239 284 A C 0.580 178.236 177.584 0.120 0.000 1.061 284 A CA 1.471 53.573 52.037 0.108 0.000 0.758 284 A CB -0.033 19.005 19.000 0.062 0.000 0.991 284 A HN 0.480 8.724 8.150 0.156 0.000 0.502 285 G N 2.904 111.753 108.800 0.082 0.000 2.205 285 G HA2 -0.403 3.586 3.960 0.048 0.000 0.261 285 G HA3 -0.403 3.593 3.960 0.059 0.000 0.261 285 G C -0.874 174.067 174.900 0.069 0.000 0.980 285 G CA -0.058 45.080 45.100 0.064 0.000 0.632 285 G HN 0.308 8.639 8.290 0.068 0.000 0.533 286 D N 1.050 121.512 120.400 0.103 0.000 2.339 286 D HA 0.030 4.714 4.640 0.074 0.000 0.241 286 D C -0.158 176.190 176.300 0.079 0.000 1.183 286 D CA -0.614 53.445 54.000 0.099 0.000 0.859 286 D CB 0.393 41.290 40.800 0.162 0.000 1.067 286 D HN -0.595 7.783 8.370 0.131 0.070 0.484 287 N N 4.588 123.321 118.700 0.055 0.000 2.336 287 N HA -0.016 4.753 4.740 0.049 0.000 0.189 287 N C 0.201 175.743 175.510 0.052 0.000 1.113 287 N CA 0.196 53.273 53.050 0.046 0.000 0.858 287 N CB 0.417 38.920 38.487 0.026 0.000 0.970 287 N HN 0.269 8.677 8.380 0.046 0.000 0.471 288 R N -1.464 119.074 120.500 0.063 0.000 2.173 288 R HA -0.040 4.343 4.340 0.072 0.000 0.208 288 R C -1.213 175.134 176.300 0.078 0.000 1.035 288 R CA 0.656 56.800 56.100 0.072 0.000 1.004 288 R CB 0.845 31.189 30.300 0.074 0.000 0.917 288 R HN -0.183 8.353 8.270 0.066 -0.227 0.462 289 N N -3.611 115.140 118.700 0.085 0.000 2.753 289 N HA -0.311 4.530 4.740 0.084 -0.051 0.252 289 N C -1.421 174.129 175.510 0.068 0.000 1.071 289 N CA 0.619 53.715 53.050 0.078 0.000 0.690 289 N CB -1.356 37.171 38.487 0.067 0.000 0.906 289 N HN -0.663 8.182 8.380 0.094 -0.409 0.552 290 L N -6.859 114.412 121.223 0.079 0.000 2.491 290 L HA 0.535 4.875 4.340 0.001 0.000 0.254 290 L C -2.161 174.750 176.870 0.068 0.000 1.048 290 L CA -1.146 53.713 54.840 0.033 0.000 0.855 290 L CB 2.248 44.311 42.059 0.007 0.000 1.466 290 L HN -0.780 7.683 8.230 0.110 -0.166 0.409 291 I N -6.001 114.552 120.570 -0.028 0.000 2.894 291 I HA 0.560 4.997 4.170 0.227 -0.130 0.302 291 I C -2.058 174.017 176.117 -0.070 0.000 1.188 291 I CA -2.494 58.853 61.300 0.078 0.000 1.014 291 I CB 3.797 41.831 38.000 0.058 0.000 1.242 291 I HN -0.340 7.798 8.210 -0.121 0.000 0.430 292 Y N 2.989 123.364 120.300 0.125 0.000 2.429 292 Y HA 0.254 4.867 4.550 0.105 0.000 0.342 292 Y C -1.517 174.465 175.900 0.136 0.000 1.004 292 Y CA -1.367 56.800 58.100 0.112 0.000 1.075 292 Y CB 4.295 42.811 38.460 0.094 0.000 1.214 292 Y HN 0.286 8.809 8.280 0.406 0.000 0.455 293 I N 1.829 122.556 120.570 0.262 0.000 2.389 293 I HA 0.391 4.878 4.170 0.246 -0.169 0.288 293 I C -0.836 175.407 176.117 0.210 0.000 0.999 293 I CA -0.792 60.641 61.300 0.222 0.000 1.129 293 I CB 2.386 40.485 38.000 0.165 0.000 1.288 293 I HN 0.243 8.597 8.210 0.241 0.000 0.444 294 T N 8.025 122.688 114.554 0.182 0.000 2.779 294 T HA 0.380 4.820 4.350 0.150 0.000 0.280 294 T C -1.398 173.379 174.700 0.128 0.000 0.987 294 T CA -1.761 60.424 62.100 0.142 0.000 0.966 294 T CB 1.488 70.417 68.868 0.102 0.000 0.933 294 T HN 0.339 8.687 8.240 0.180 0.000 0.442 295 c N 6.756 125.435 118.600 0.131 0.000 2.561 295 c HA 0.771 5.602 4.570 0.126 -0.185 0.319 295 c C -0.821 173.332 174.090 0.105 0.000 1.198 295 c CA -1.214 55.195 56.329 0.133 0.000 1.665 295 c CB 2.857 45.478 42.510 0.185 0.000 2.258 295 c HN 0.659 8.966 8.230 0.128 0.000 0.493 296 H N 4.295 123.365 119.070 0.000 0.000 2.641 296 H HA 0.253 4.761 4.556 -0.079 0.000 0.295 296 H C -1.836 173.457 175.328 -0.057 0.000 1.070 296 H CA -0.267 55.750 56.048 -0.051 0.000 1.257 296 H CB 0.912 30.644 29.762 -0.050 0.000 1.393 296 H HN 0.504 8.896 8.280 0.187 0.000 0.464 297 L N 6.218 127.230 121.223 -0.351 0.000 2.343 297 L HA 0.475 4.939 4.340 -0.041 -0.148 0.275 297 L C -0.684 175.898 176.870 -0.479 0.000 1.056 297 L CA -0.944 53.731 54.840 -0.275 0.000 0.804 297 L CB 1.738 43.667 42.059 -0.217 0.000 1.203 297 L HN 0.362 8.303 8.230 -0.481 0.000 0.440 298 K N 0.944 121.291 120.400 -0.089 0.000 2.555 298 K HA 0.468 4.713 4.320 -0.124 0.000 0.279 298 K C -2.550 174.207 176.600 0.261 0.000 0.986 298 K CA -1.107 55.193 56.287 0.023 0.000 0.880 298 K CB 3.593 36.158 32.500 0.109 0.000 1.474 298 K HN 0.406 8.703 8.250 0.078 0.000 0.433 299 V N -4.026 116.072 119.914 0.307 0.000 2.914 299 V HA 0.967 5.416 4.120 0.260 -0.172 0.314 299 V C -1.020 175.359 176.094 0.475 0.000 1.084 299 V CA -2.827 59.668 62.300 0.325 0.000 0.963 299 V CB 3.919 35.899 31.823 0.261 0.000 1.025 299 V HN 0.263 8.617 8.190 0.273 0.000 0.432 300 T N -1.392 113.399 114.554 0.396 0.000 2.907 300 T HA 0.543 5.132 4.350 0.398 0.000 0.290 300 T C -2.444 172.319 174.700 0.105 0.000 1.066 300 T CA -4.047 58.233 62.100 0.299 0.000 1.012 300 T CB 0.630 69.625 68.868 0.211 0.000 1.184 300 T HN 0.355 8.753 8.240 0.262 0.000 0.522 301 P HA -0.093 4.278 4.420 -0.082 0.000 0.266 301 P C 0.220 177.487 177.300 -0.054 0.000 1.195 301 P CA 0.149 63.149 63.100 -0.167 0.000 0.768 301 P CB 0.164 31.687 31.700 -0.296 0.000 0.838 302 A N 4.431 127.234 122.820 -0.028 0.000 1.892 302 A HA -0.381 3.992 4.320 -0.035 -0.074 0.218 302 A C -0.100 177.468 177.584 -0.028 0.000 1.188 302 A CA 3.085 55.104 52.037 -0.029 0.000 0.631 302 A CB -0.171 18.813 19.000 -0.028 0.000 0.822 302 A HN -0.114 8.024 8.150 -0.020 0.000 0.447 303 D N -4.063 116.319 120.400 -0.030 0.000 2.328 303 D HA 0.068 4.698 4.640 -0.016 0.000 0.221 303 D C -0.259 176.033 176.300 -0.014 0.000 1.072 303 D CA -0.377 53.610 54.000 -0.021 0.000 0.850 303 D CB -0.261 40.525 40.800 -0.024 0.000 0.922 303 D HN 0.012 8.359 8.370 -0.038 0.000 0.516 304 Q N 0.425 120.217 119.800 -0.015 0.000 2.364 304 Q HA -0.045 4.282 4.340 -0.021 0.000 0.267 304 Q C 0.741 176.758 176.000 0.028 0.000 0.999 304 Q CA 0.153 55.952 55.803 -0.007 0.000 0.886 304 Q CB 1.359 30.085 28.738 -0.019 0.000 1.243 304 Q HN -0.811 7.384 8.270 -0.022 0.062 0.415 305 G N 3.432 112.241 108.800 0.016 0.000 2.378 305 G HA2 0.058 4.037 3.960 0.032 0.000 0.255 305 G HA3 0.058 4.023 3.960 0.010 0.000 0.255 305 G C -2.238 172.683 174.900 0.035 0.000 1.270 305 G CA -1.433 43.681 45.100 0.024 0.000 0.876 305 G HN 0.368 8.658 8.290 0.001 0.000 0.521 306 P HA 0.025 4.532 4.420 -0.006 -0.090 0.269 306 P C -1.558 175.710 177.300 -0.053 0.000 1.209 306 P CA -0.229 62.874 63.100 0.005 0.000 0.776 306 P CB 1.251 32.971 31.700 0.033 0.000 0.876 307 D N -0.046 120.286 120.400 -0.114 0.000 2.652 307 D HA 0.284 4.879 4.640 -0.075 0.000 0.285 307 D C -1.076 175.141 176.300 -0.137 0.000 1.173 307 D CA -2.394 51.547 54.000 -0.098 0.000 0.981 307 D CB -1.153 39.603 40.800 -0.073 0.000 1.440 307 D HN -0.332 7.935 8.370 -0.173 0.000 0.485 308 P HA -0.040 4.304 4.420 -0.127 0.000 0.226 308 P C -0.295 176.926 177.300 -0.132 0.000 1.146 308 P CA 1.556 64.584 63.100 -0.120 0.000 0.773 308 P CB 0.341 31.983 31.700 -0.097 0.000 0.772 309 Q N -6.743 112.976 119.800 -0.136 0.000 2.378 309 Q HA 0.133 4.407 4.340 -0.110 0.000 0.216 309 Q C -1.061 174.818 176.000 -0.202 0.000 0.892 309 Q CA -0.282 55.445 55.803 -0.127 0.000 0.931 309 Q CB 1.394 30.084 28.738 -0.080 0.000 1.086 309 Q HN -0.086 8.312 8.270 -0.131 -0.206 0.528 310 N N 0.164 118.669 118.700 -0.324 0.000 2.609 310 N HA 0.273 4.599 4.740 -0.690 0.000 0.268 310 N C -2.280 172.570 175.510 -1.100 0.000 1.106 310 N CA -0.052 52.599 53.050 -0.666 0.000 0.823 310 N CB 2.889 41.134 38.487 -0.403 0.000 1.263 310 N HN -0.235 8.003 8.380 -0.287 -0.031 0.533 311 K N -0.570 119.078 120.400 -1.252 0.000 2.658 311 K HA 0.242 4.130 4.320 -0.721 0.000 0.293 311 K C -3.199 173.175 176.600 -0.376 0.000 1.026 311 K CA -0.644 55.200 56.287 -0.739 0.000 0.871 311 K CB 3.018 35.327 32.500 -0.318 0.000 1.524 311 K HN -0.163 7.425 8.250 -1.102 0.000 0.400 312 A N 0.459 123.194 122.820 -0.143 0.000 2.410 312 A HA 0.674 4.926 4.320 -0.380 -0.159 0.289 312 A C -1.928 175.569 177.584 -0.145 0.000 1.200 312 A CA -1.132 50.662 52.037 -0.404 0.000 0.751 312 A CB 1.496 19.964 19.000 -0.887 0.000 1.161 312 A HN 0.345 8.465 8.150 -0.050 0.000 0.459 313 c N 3.754 122.466 118.600 0.187 0.000 2.417 313 c HA 0.713 5.650 4.570 0.322 -0.173 0.324 313 c C -1.044 173.463 174.090 0.694 0.000 1.240 313 c CA -1.525 55.038 56.329 0.390 0.000 1.632 313 c CB 3.042 45.725 42.510 0.289 0.000 2.241 313 c HN 0.609 8.999 8.230 0.266 0.000 0.499 314 S N 0.935 117.004 115.700 0.614 0.000 2.568 314 S HA 0.401 5.162 4.470 0.486 0.000 0.302 314 S C -1.755 173.006 174.600 0.268 0.000 1.082 314 S CA -1.602 56.876 58.200 0.464 0.000 1.009 314 S CB 2.858 66.240 63.200 0.303 0.000 1.069 314 S HN 0.373 8.980 8.310 0.494 0.000 0.500 315 F N 4.024 123.790 119.950 -0.307 0.000 2.411 315 F HA 0.176 4.312 4.527 -0.875 -0.133 0.355 315 F C -1.031 174.570 175.800 -0.331 0.000 1.117 315 F CA -0.249 57.295 58.000 -0.760 0.000 1.139 315 F CB 1.927 40.177 39.000 -1.250 0.000 1.120 315 F HN 0.620 8.933 8.300 0.022 0.000 0.493 316 N N 8.238 126.445 118.700 -0.821 0.000 2.462 316 N HA 0.136 4.709 4.740 -0.278 0.000 0.242 316 N C 0.097 175.218 175.510 -0.648 0.000 1.010 316 N CA -1.419 51.334 53.050 -0.495 0.000 0.939 316 N CB 0.389 38.681 38.487 -0.325 0.000 1.127 316 N HN 0.348 8.090 8.380 -1.064 0.000 0.509 317 K N 6.504 126.727 120.400 -0.294 0.000 2.097 317 K HA -0.282 3.996 4.320 -0.069 0.000 0.206 317 K C 1.247 177.775 176.600 -0.120 0.000 1.049 317 K CA 2.933 59.153 56.287 -0.112 0.000 0.933 317 K CB -0.247 32.282 32.500 0.049 0.000 0.717 317 K HN 0.539 8.695 8.250 -0.156 0.000 0.442 318 A N -1.444 121.308 122.820 -0.113 0.000 1.933 318 A HA -0.161 4.129 4.320 -0.051 0.000 0.218 318 A C 1.282 178.806 177.584 -0.100 0.000 1.175 318 A CA 2.179 54.169 52.037 -0.079 0.000 0.628 318 A CB -0.141 18.824 19.000 -0.059 0.000 0.814 318 A HN -0.032 8.136 8.150 -0.112 -0.086 0.444 319 R N -4.475 115.926 120.500 -0.165 0.000 2.312 319 R HA 0.019 4.298 4.340 -0.101 0.000 0.205 319 R C -0.206 175.975 176.300 -0.198 0.000 0.904 319 R CA -0.539 55.469 56.100 -0.153 0.000 1.052 319 R CB 0.876 31.087 30.300 -0.147 0.000 1.014 319 R HN -0.597 7.778 8.270 -0.216 -0.234 0.503 320 N N -1.677 116.833 118.700 -0.317 0.000 2.735 320 N HA -0.218 4.310 4.740 -0.355 0.000 0.248 320 N C -1.559 173.739 175.510 -0.354 0.000 1.083 320 N CA 1.296 54.172 53.050 -0.291 0.000 0.703 320 N CB -1.127 37.347 38.487 -0.022 0.000 1.005 320 N HN -0.150 7.897 8.380 -0.362 0.116 0.550 321 T N -7.797 106.339 114.554 -0.696 0.000 2.868 321 T HA 0.314 4.597 4.350 -0.112 0.000 0.306 321 T C -1.577 172.823 174.700 -0.501 0.000 1.224 321 T CA -2.421 59.466 62.100 -0.356 0.000 1.012 321 T CB 3.002 71.809 68.868 -0.102 0.000 1.221 321 T HN -0.674 7.029 8.240 -0.896 0.000 0.499 322 W N 0.864 122.167 121.300 0.006 0.000 2.251 322 W HA 0.433 5.349 4.660 0.104 -0.193 0.329 322 W C -0.611 175.926 176.519 0.029 0.000 1.234 322 W CA 0.145 57.543 57.345 0.088 0.000 1.228 322 W CB 1.457 31.024 29.460 0.178 0.000 1.135 322 W HN 0.215 8.628 8.180 0.388 0.000 0.576 323 V N 2.461 122.548 119.914 0.290 0.000 2.524 323 V HA 0.385 4.591 4.120 0.143 0.000 0.297 323 V C -2.190 174.024 176.094 0.200 0.000 1.035 323 V CA -3.862 58.540 62.300 0.171 0.000 0.867 323 V CB 3.054 34.926 31.823 0.082 0.000 1.004 323 V HN 0.584 8.997 8.190 0.370 0.000 0.426 324 P HA 0.331 5.003 4.420 0.128 -0.175 0.277 324 P C -0.004 177.349 177.300 0.089 0.000 1.240 324 P CA -1.300 61.867 63.100 0.112 0.000 0.798 324 P CB 0.984 32.726 31.700 0.071 0.000 0.979 325 V N -0.058 119.892 119.914 0.059 0.000 2.343 325 V HA -0.330 3.827 4.120 0.061 0.000 0.247 325 V C -0.107 176.009 176.094 0.037 0.000 1.051 325 V CA 2.652 64.976 62.300 0.039 0.000 1.036 325 V CB 0.488 32.295 31.823 -0.027 0.000 0.654 325 V HN 0.624 8.832 8.190 0.030 0.000 0.451 326 E N -4.358 115.872 120.200 0.051 0.000 2.433 326 E HA 0.087 4.460 4.350 0.038 0.000 0.278 326 E C -1.315 175.318 176.600 0.055 0.000 0.976 326 E CA -1.002 55.427 56.400 0.048 0.000 0.793 326 E CB 2.769 32.494 29.700 0.041 0.000 1.311 326 E HN -0.544 7.855 8.360 0.065 0.000 0.460 327 G N 0.273 109.098 108.800 0.041 0.000 2.592 327 G HA2 -0.176 3.801 3.960 0.028 0.000 0.684 327 G HA3 -0.176 3.803 3.960 0.032 0.000 0.684 327 G C -1.095 173.820 174.900 0.025 0.000 1.291 327 G CA -0.608 44.511 45.100 0.032 0.000 0.891 327 G HN 0.122 8.433 8.290 0.034 0.000 0.544 328 S N -0.252 115.457 115.700 0.016 0.000 2.576 328 S HA 0.131 4.612 4.470 0.018 0.000 0.276 328 S C 1.542 176.157 174.600 0.024 0.000 1.339 328 S CA -0.757 57.452 58.200 0.016 0.000 1.039 328 S CB 1.015 64.219 63.200 0.008 0.000 0.902 328 S HN 0.231 8.548 8.310 0.011 0.000 0.516 329 R N 1.939 122.458 120.500 0.031 0.000 2.117 329 R HA -0.375 4.000 4.340 0.059 0.000 0.243 329 R C 1.234 177.564 176.300 0.049 0.000 1.143 329 R CA 3.251 59.379 56.100 0.048 0.000 0.968 329 R CB -0.382 29.946 30.300 0.046 0.000 0.863 329 R HN 0.658 8.945 8.270 0.028 0.000 0.444 330 D N -4.005 116.411 120.400 0.028 0.000 2.349 330 D HA -0.068 4.741 4.640 0.031 -0.151 0.224 330 D C 1.941 178.238 176.300 -0.005 0.000 1.029 330 D CA 1.141 55.152 54.000 0.018 0.000 0.879 330 D CB -1.498 39.308 40.800 0.009 0.000 0.906 330 D HN 0.178 8.533 8.370 0.021 0.029 0.528 331 V N -0.189 119.719 119.914 -0.009 0.000 2.913 331 V HA -0.358 3.733 4.120 -0.048 0.000 0.260 331 V C 0.253 176.311 176.094 -0.060 0.000 1.098 331 V CA 2.428 64.705 62.300 -0.039 0.000 1.121 331 V CB 0.124 31.921 31.823 -0.043 0.000 0.714 331 V HN -0.550 7.598 8.190 0.001 0.043 0.487 332 c N -3.312 115.271 118.600 -0.028 0.000 2.696 332 c HA 0.080 4.572 4.570 -0.130 0.000 0.264 332 c C 1.528 175.517 174.090 -0.169 0.000 1.288 332 c CA -0.281 56.003 56.329 -0.074 0.000 1.717 332 c CB -2.290 40.278 42.510 0.097 0.000 1.893 332 c HN -0.521 7.674 8.230 0.010 0.041 0.577 333 N N 2.070 120.719 118.700 -0.086 0.000 2.094 333 N HA -0.251 4.474 4.740 -0.025 0.000 0.191 333 N C 1.680 177.090 175.510 -0.167 0.000 1.023 333 N CA 3.047 56.051 53.050 -0.078 0.000 0.857 333 N CB -0.774 37.691 38.487 -0.037 0.000 1.013 333 N HN -0.247 8.054 8.380 -0.051 0.048 0.426 334 c N -5.311 113.170 118.600 -0.198 0.000 2.437 334 c HA 0.137 4.585 4.570 -0.203 0.000 0.283 334 c C 1.918 175.795 174.090 -0.356 0.000 1.424 334 c CA -0.116 56.072 56.329 -0.234 0.000 1.782 334 c CB -2.403 39.990 42.510 -0.195 0.000 1.833 334 c HN 0.051 8.164 8.230 -0.175 0.012 0.532 335 c N 1.872 120.169 118.600 -0.506 0.000 2.413 335 c HA -0.262 3.991 4.570 -0.527 0.000 0.276 335 c C 2.189 175.925 174.090 -0.590 0.000 1.248 335 c CA 3.932 59.796 56.329 -0.775 0.000 1.742 335 c CB -1.927 39.566 42.510 -1.695 0.000 2.017 335 c HN 0.018 7.807 8.230 -0.508 0.136 0.481 336 E N -0.565 119.398 120.200 -0.395 0.000 2.152 336 E HA -0.177 4.300 4.350 0.212 0.000 0.192 336 E C 1.383 177.944 176.600 -0.065 0.000 0.983 336 E CA 2.479 58.892 56.400 0.021 0.000 0.818 336 E CB -0.205 29.614 29.700 0.199 0.000 0.758 336 E HN -0.391 7.713 8.360 -0.426 0.000 0.467 337 T N -6.526 107.928 114.554 -0.166 0.000 3.043 337 T HA -0.061 4.220 4.350 -0.115 0.000 0.263 337 T C 1.255 175.782 174.700 -0.289 0.000 1.094 337 T CA 0.191 62.187 62.100 -0.174 0.000 1.127 337 T CB 0.664 69.434 68.868 -0.162 0.000 0.905 337 T HN -0.708 7.409 8.240 -0.205 0.000 0.490 338 G N 2.440 110.941 108.800 -0.500 0.000 2.132 338 G HA2 -0.390 2.674 3.960 -1.494 0.000 0.228 338 G HA3 -0.390 3.150 3.960 -0.700 0.000 0.228 338 G C -1.441 172.753 174.900 -1.176 0.000 1.000 338 G CA -0.015 44.485 45.100 -1.000 0.000 0.693 338 G HN -0.336 7.636 8.290 -0.488 0.025 0.515 339 N N -1.347 116.904 118.700 -0.749 0.000 2.655 339 N HA 0.169 4.632 4.740 -0.461 0.000 0.277 339 N C -2.026 173.313 175.510 -0.286 0.000 1.177 339 N CA -0.234 52.546 53.050 -0.450 0.000 0.882 339 N CB 1.486 39.807 38.487 -0.277 0.000 1.481 339 N HN -0.683 7.329 8.380 -0.613 0.000 0.547 340 c N 2.706 121.189 118.600 -0.195 0.000 2.881 340 c HA 0.076 4.561 4.570 -0.142 0.000 0.290 340 c C -0.911 173.131 174.090 -0.081 0.000 1.362 340 c CA -1.796 54.459 56.329 -0.123 0.000 1.757 340 c CB -1.171 41.287 42.510 -0.087 0.000 2.265 340 c HN 0.304 8.441 8.230 -0.156 0.000 0.600 341 E N 1.671 121.827 120.200 -0.074 0.000 2.338 341 E HA 0.181 4.504 4.350 -0.044 0.000 0.272 341 E C -1.504 175.062 176.600 -0.055 0.000 1.029 341 E CA -1.465 54.903 56.400 -0.053 0.000 0.872 341 E CB 0.711 30.384 29.700 -0.044 0.000 1.015 341 E HN -0.932 7.523 8.360 -0.090 -0.150 0.417 342 P HA 0.258 4.650 4.420 -0.047 0.000 0.279 342 P C -2.226 175.053 177.300 -0.036 0.000 1.282 342 P CA -1.054 62.022 63.100 -0.042 0.000 0.788 342 P CB -0.577 31.103 31.700 -0.034 0.000 1.139 343 P HA 0.000 4.403 4.420 -0.029 0.000 0.216 343 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 343 P CB 0.000 31.684 31.700 -0.026 0.000 0.726