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_B DATA FIRST_RESID 52 DATA SEQUENCE TPVAVQcQEA QLVVTVHRDL FGTGRLINAA DLTLGPAAcK HSSLNAAHNT DATA SEQUENCE VTFAAGLHEc GSVVQVTPDT LIYRTLINYD PSPASNPVII RTNPAVIPIE DATA SEQUENCE cHYPRRXXXX XXXXXXXXXX XXXXXXXXER LVFSLRLMSD DWSTERPFTG DATA SEQUENCE FQLGDILNIQ AEVSTENHVP LRLFVDScVA ALSPDGDSSP HYAIIDFNGc DATA SEQUENCE LVDGRVDDTS SAFITPRPRE DVLRFRIDVF RFAGDNRNLI YITcHLKVTP DATA SEQUENCE ADQGPDPQNK AcSFNKARNT WVPVEGSRDV cNccETGNcE PP 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 52 T HA 0.000 4.329 4.350 -0.034 0.000 0.228 52 T C 0.000 174.693 174.700 -0.011 0.000 1.109 52 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 52 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 53 P HA 0.089 4.547 4.420 0.064 0.000 0.247 53 P C -2.057 175.300 177.300 0.095 0.000 1.225 53 P CA 0.322 63.443 63.100 0.035 0.000 0.768 53 P CB 0.330 31.997 31.700 -0.055 0.000 1.020 54 V N -1.457 118.489 119.914 0.054 0.000 2.488 54 V HA 0.326 4.655 4.120 0.047 -0.181 0.293 54 V C -1.497 174.616 176.094 0.033 0.000 1.027 54 V CA -1.369 60.954 62.300 0.038 0.000 0.862 54 V CB 2.565 34.395 31.823 0.012 0.000 1.008 54 V HN -0.632 7.513 8.190 0.036 0.067 0.428 55 A N 9.176 132.015 122.820 0.033 0.000 2.292 55 A HA 0.525 4.855 4.320 0.016 0.000 0.319 55 A C -2.059 175.534 177.584 0.015 0.000 1.206 55 A CA -1.454 50.594 52.037 0.019 0.000 0.835 55 A CB 1.883 20.891 19.000 0.014 0.000 1.164 55 A HN 0.539 8.709 8.150 0.034 0.000 0.505 56 V N 4.158 124.076 119.914 0.008 0.000 2.444 56 V HA 0.255 4.522 4.120 0.018 -0.136 0.294 56 V C -0.609 175.486 176.094 0.002 0.000 1.022 56 V CA -1.049 61.257 62.300 0.009 0.000 0.850 56 V CB 1.562 33.389 31.823 0.007 0.000 0.992 56 V HN 0.419 8.610 8.190 0.002 0.000 0.426 57 Q N 7.281 127.087 119.800 0.009 0.000 2.398 57 Q HA 0.226 4.565 4.340 -0.003 0.000 0.251 57 Q C -1.082 174.929 176.000 0.019 0.000 0.999 57 Q CA -1.360 54.448 55.803 0.007 0.000 0.874 57 Q CB 1.125 29.869 28.738 0.010 0.000 1.215 57 Q HN 0.404 8.684 8.270 0.017 0.000 0.470 58 c N 6.737 125.337 118.600 0.000 0.000 2.192 58 c HA 0.170 4.786 4.570 0.077 0.000 0.337 58 c C -0.058 174.096 174.090 0.107 0.000 1.103 58 c CA -0.100 56.242 56.329 0.021 0.000 1.581 58 c CB -2.573 39.836 42.510 -0.168 0.000 2.070 58 c HN 0.831 9.047 8.230 -0.023 0.000 0.485 59 Q N 4.895 124.786 119.800 0.151 0.000 2.239 59 Q HA 0.096 4.511 4.340 0.125 0.000 0.193 59 Q C -0.162 175.944 176.000 0.176 0.000 1.004 59 Q CA -0.889 54.995 55.803 0.134 0.000 1.040 59 Q CB 1.243 30.016 28.738 0.059 0.000 1.149 59 Q HN -0.159 8.188 8.270 0.128 0.000 0.535 60 E N -0.929 119.316 120.200 0.074 0.000 2.051 60 E HA -0.244 4.136 4.350 0.050 0.000 0.192 60 E C -0.146 176.376 176.600 -0.129 0.000 0.991 60 E CA 2.184 58.589 56.400 0.009 0.000 0.799 60 E CB -0.162 29.540 29.700 0.002 0.000 0.748 60 E HN 0.428 8.819 8.360 0.052 0.000 0.449 61 A N -5.157 117.593 122.820 -0.116 0.000 2.622 61 A HA 0.267 4.420 4.320 -0.278 0.000 0.283 61 A C -2.035 175.456 177.584 -0.155 0.000 0.998 61 A CA -0.187 51.745 52.037 -0.176 0.000 0.985 61 A CB 0.292 19.230 19.000 -0.105 0.000 1.236 61 A HN 0.024 8.133 8.150 -0.067 0.000 0.559 62 Q N -3.521 116.216 119.800 -0.105 0.000 2.482 62 Q HA 0.538 4.923 4.340 -0.109 -0.110 0.286 62 Q C -2.525 173.465 176.000 -0.018 0.000 1.007 62 Q CA -1.313 54.447 55.803 -0.072 0.000 0.801 62 Q CB 3.966 32.684 28.738 -0.034 0.000 1.455 62 Q HN -0.796 7.433 8.270 -0.069 0.000 0.398 63 L N -3.841 117.376 121.223 -0.011 0.000 2.342 63 L HA 1.001 5.551 4.340 0.042 -0.185 0.271 63 L C -1.611 175.280 176.870 0.035 0.000 1.008 63 L CA -1.497 53.358 54.840 0.026 0.000 0.818 63 L CB 3.500 45.576 42.059 0.028 0.000 1.296 63 L HN 0.113 8.327 8.230 -0.028 0.000 0.427 64 V N 0.972 120.910 119.914 0.041 0.000 2.443 64 V HA 0.558 4.909 4.120 0.069 -0.189 0.293 64 V C -0.967 175.162 176.094 0.059 0.000 1.021 64 V CA -1.200 61.131 62.300 0.051 0.000 0.848 64 V CB 2.028 33.868 31.823 0.030 0.000 0.998 64 V HN 0.019 8.231 8.190 0.037 0.000 0.424 65 V N 9.103 129.079 119.914 0.103 0.000 2.398 65 V HA 0.621 4.980 4.120 0.065 -0.200 0.286 65 V C -0.825 175.350 176.094 0.134 0.000 1.026 65 V CA -1.687 60.677 62.300 0.107 0.000 0.868 65 V CB 2.078 33.964 31.823 0.104 0.000 0.982 65 V HN 0.640 8.917 8.190 0.145 0.000 0.443 66 T N 10.048 124.638 114.554 0.059 0.000 2.770 66 T HA 0.436 4.948 4.350 0.022 -0.149 0.283 66 T C -1.385 173.310 174.700 -0.010 0.000 0.988 66 T CA -0.216 61.887 62.100 0.006 0.000 0.957 66 T CB 1.288 70.118 68.868 -0.065 0.000 0.930 66 T HN 0.528 8.791 8.240 0.038 0.000 0.443 67 V N 7.421 127.327 119.914 -0.014 0.000 2.448 67 V HA 0.435 4.722 4.120 0.006 -0.163 0.295 67 V C -1.043 174.984 176.094 -0.112 0.000 1.025 67 V CA -1.961 60.330 62.300 -0.015 0.000 0.859 67 V CB 2.860 34.723 31.823 0.068 0.000 0.988 67 V HN 0.633 8.819 8.190 -0.006 0.000 0.431 68 H N 7.723 126.754 119.070 -0.065 0.000 2.683 68 H HA 0.141 4.663 4.556 -0.056 0.000 0.339 68 H C 0.285 175.534 175.328 -0.132 0.000 1.081 68 H CA 1.823 57.823 56.048 -0.079 0.000 1.432 68 H CB 1.108 30.825 29.762 -0.075 0.000 1.462 68 H HN -0.154 8.216 8.280 0.149 0.000 0.557 69 R N 2.002 122.498 120.500 -0.007 0.000 2.148 69 R HA -0.253 4.011 4.340 -0.125 0.000 0.223 69 R C 0.464 176.702 176.300 -0.103 0.000 1.088 69 R CA 3.277 59.331 56.100 -0.077 0.000 0.985 69 R CB 0.333 30.603 30.300 -0.051 0.000 0.880 69 R HN -0.028 8.248 8.270 0.010 0.000 0.451 70 D N -1.500 118.874 120.400 -0.044 0.000 2.767 70 D HA -0.009 4.589 4.640 -0.070 0.000 0.231 70 D C 0.606 176.808 176.300 -0.162 0.000 1.105 70 D CA -1.361 52.595 54.000 -0.073 0.000 1.024 70 D CB -1.056 39.724 40.800 -0.035 0.000 1.123 70 D HN 0.009 8.391 8.370 0.020 0.000 0.470 71 L N 2.052 123.061 121.223 -0.357 0.000 2.156 71 L HA -0.081 4.085 4.340 -0.377 -0.052 0.208 71 L C 0.216 176.696 176.870 -0.651 0.000 1.095 71 L CA 2.066 56.544 54.840 -0.604 0.000 0.770 71 L CB 0.340 41.786 42.059 -1.020 0.000 0.914 71 L HN -0.513 7.436 8.230 -0.397 0.043 0.439 72 F N -3.423 116.492 119.950 -0.059 0.000 2.695 72 F HA 0.199 4.707 4.527 -0.032 0.000 0.303 72 F C 0.352 176.135 175.800 -0.029 0.000 1.091 72 F CA -0.695 57.283 58.000 -0.036 0.000 1.300 72 F CB 0.130 39.115 39.000 -0.026 0.000 1.071 72 F HN -0.351 7.773 8.300 -0.293 0.000 0.578 73 G N -0.068 108.766 108.800 0.056 0.000 2.160 73 G HA2 -0.391 3.560 3.960 -0.014 0.000 0.244 73 G HA3 -0.391 3.582 3.960 0.023 0.000 0.244 73 G C 0.447 175.373 174.900 0.043 0.000 1.022 73 G CA 0.691 45.805 45.100 0.024 0.000 0.741 73 G HN -0.412 8.011 8.290 -0.002 -0.134 0.508 74 T N -3.430 111.165 114.554 0.068 0.000 3.023 74 T HA 0.194 4.572 4.350 0.046 0.000 0.253 74 T C 1.019 175.743 174.700 0.039 0.000 1.038 74 T CA -2.054 60.081 62.100 0.060 0.000 0.962 74 T CB 0.849 69.769 68.868 0.088 0.000 1.018 74 T HN -0.525 7.866 8.240 0.087 -0.099 0.521 75 G N 2.498 111.315 108.800 0.028 0.000 2.241 75 G HA2 -0.351 3.613 3.960 0.006 0.000 0.244 75 G HA3 -0.351 3.619 3.960 0.016 0.000 0.244 75 G C -0.765 174.150 174.900 0.025 0.000 0.998 75 G CA -0.211 44.900 45.100 0.017 0.000 0.621 75 G HN -0.289 8.277 8.290 0.024 -0.261 0.519 76 R N 2.371 122.899 120.500 0.046 0.000 2.267 76 R HA 0.062 4.428 4.340 0.044 0.000 0.319 76 R C -0.470 175.858 176.300 0.048 0.000 1.067 76 R CA -0.221 55.912 56.100 0.055 0.000 0.936 76 R CB 0.528 30.877 30.300 0.082 0.000 1.006 76 R HN -0.599 7.633 8.270 0.060 0.073 0.452 77 L N 5.785 127.028 121.223 0.032 0.000 2.305 77 L HA 0.115 4.610 4.340 -0.011 -0.162 0.281 77 L C 0.769 177.656 176.870 0.027 0.000 1.085 77 L CA -0.861 53.986 54.840 0.011 0.000 0.813 77 L CB 0.296 42.360 42.059 0.008 0.000 1.157 77 L HN 0.303 8.552 8.230 0.033 0.000 0.436 78 I N -0.925 119.637 120.570 -0.013 0.000 2.945 78 I HA 0.143 4.386 4.170 0.122 0.000 0.292 78 I C -0.969 175.187 176.117 0.064 0.000 1.093 78 I CA -0.914 60.407 61.300 0.035 0.000 1.336 78 I CB 1.500 39.398 38.000 -0.169 0.000 1.435 78 I HN 0.302 8.469 8.210 -0.072 0.000 0.593 79 N N 2.640 121.430 118.700 0.150 0.000 2.497 79 N HA 0.008 4.791 4.740 0.072 0.000 0.271 79 N C 1.239 176.813 175.510 0.106 0.000 1.142 79 N CA 0.092 53.211 53.050 0.115 0.000 0.965 79 N CB 0.379 38.946 38.487 0.133 0.000 1.077 79 N HN 0.201 8.720 8.380 0.231 0.000 0.462 80 A N 6.397 129.234 122.820 0.029 0.000 1.892 80 A HA -0.280 4.012 4.320 -0.047 0.000 0.218 80 A C 1.547 179.186 177.584 0.091 0.000 1.188 80 A CA 3.238 55.252 52.037 -0.038 0.000 0.631 80 A CB -0.274 18.592 19.000 -0.223 0.000 0.822 80 A HN 0.637 8.791 8.150 0.007 0.000 0.447 81 A N -5.278 117.629 122.820 0.145 0.000 2.178 81 A HA -0.139 4.350 4.320 0.282 0.000 0.218 81 A C 0.549 178.255 177.584 0.204 0.000 1.157 81 A CA 1.918 54.079 52.037 0.208 0.000 0.689 81 A CB -0.759 18.334 19.000 0.155 0.000 0.787 81 A HN 0.029 8.248 8.150 0.115 0.000 0.465 82 D N -3.447 117.086 120.400 0.221 0.000 2.340 82 D HA 0.070 4.803 4.640 0.154 0.000 0.220 82 D C -0.807 175.686 176.300 0.322 0.000 1.039 82 D CA 0.828 54.970 54.000 0.236 0.000 0.866 82 D CB 0.273 41.248 40.800 0.292 0.000 0.913 82 D HN -0.535 7.804 8.370 0.223 0.165 0.523 83 L N -1.915 119.512 121.223 0.341 0.000 2.309 83 L HA 0.714 5.470 4.340 0.305 -0.232 0.282 83 L C -0.648 176.462 176.870 0.399 0.000 1.036 83 L CA -0.741 54.315 54.840 0.360 0.000 0.806 83 L CB 1.987 44.301 42.059 0.425 0.000 1.220 83 L HN -0.589 7.784 8.230 0.325 0.053 0.429 84 T N -2.594 112.046 114.554 0.144 0.000 2.841 84 T HA 0.579 5.229 4.350 0.304 -0.117 0.296 84 T C -2.060 172.449 174.700 -0.317 0.000 1.166 84 T CA -2.473 59.663 62.100 0.060 0.000 1.007 84 T CB 3.417 72.346 68.868 0.103 0.000 1.253 84 T HN 0.126 8.400 8.240 0.056 0.000 0.511 85 L N 2.409 123.467 121.223 -0.275 0.000 2.313 85 L HA 0.521 4.757 4.340 -0.394 -0.132 0.283 85 L C -0.301 176.516 176.870 -0.089 0.000 1.013 85 L CA -1.048 53.610 54.840 -0.302 0.000 0.816 85 L CB 2.659 44.554 42.059 -0.274 0.000 1.236 85 L HN -0.189 8.064 8.230 -0.074 -0.067 0.419 86 G N 6.270 115.034 108.800 -0.060 0.000 2.888 86 G HA2 -0.358 3.623 3.960 0.035 0.000 0.441 86 G HA3 -0.358 3.797 3.960 0.004 -0.192 0.441 86 G C -2.069 172.851 174.900 0.035 0.000 1.461 86 G CA -0.279 44.826 45.100 0.008 0.000 0.897 86 G HN 0.898 9.033 8.290 -0.081 0.106 0.547 87 P HA -0.175 4.316 4.420 0.118 0.000 0.223 87 P C -1.189 176.127 177.300 0.027 0.000 1.144 87 P CA 1.601 64.746 63.100 0.076 0.000 0.783 87 P CB 0.127 31.847 31.700 0.033 0.000 0.771 88 A N -5.455 117.370 122.820 0.008 0.000 2.123 88 A HA 0.003 4.324 4.320 0.001 0.000 0.214 88 A C -0.141 177.456 177.584 0.022 0.000 1.152 88 A CA 0.074 52.114 52.037 0.006 0.000 0.728 88 A CB 0.056 19.056 19.000 0.001 0.000 0.814 88 A HN -0.680 7.410 8.150 0.005 0.063 0.464 89 A N -2.892 119.945 122.820 0.028 0.000 2.648 89 A HA -0.346 3.998 4.320 0.040 0.000 0.297 89 A C -1.349 176.274 177.584 0.065 0.000 1.467 89 A CA 0.264 52.327 52.037 0.044 0.000 0.731 89 A CB -2.446 16.581 19.000 0.046 0.000 1.085 89 A HN -0.467 7.546 8.150 0.024 0.151 0.437 90 c N -1.224 117.420 118.600 0.074 0.000 2.637 90 c HA -0.073 4.544 4.570 0.078 0.000 0.418 90 c C 0.382 174.598 174.090 0.210 0.000 1.319 90 c CA 0.493 56.887 56.329 0.109 0.000 1.949 90 c CB 0.502 43.077 42.510 0.108 0.000 2.639 90 c HN -0.381 7.881 8.230 0.053 0.000 0.594 91 K N 3.310 123.792 120.400 0.137 0.000 2.138 91 K HA 0.001 4.454 4.320 0.222 0.000 0.251 91 K C 0.070 176.710 176.600 0.066 0.000 1.015 91 K CA 0.066 56.414 56.287 0.102 0.000 0.917 91 K CB 0.906 33.347 32.500 -0.098 0.000 1.021 91 K HN 0.145 8.438 8.250 0.072 0.000 0.485 92 H N -1.958 117.041 119.070 -0.118 0.000 2.757 92 H HA -0.008 3.845 4.556 -1.171 0.000 0.370 92 H C -0.328 174.809 175.328 -0.317 0.000 1.172 92 H CA -0.089 55.543 56.048 -0.692 0.000 1.426 92 H CB 0.382 29.599 29.762 -0.908 0.000 1.438 92 H HN 0.132 8.300 8.280 -0.186 0.000 0.612 93 S N 0.536 116.117 115.700 -0.198 0.000 2.483 93 S HA 0.043 4.449 4.470 -0.106 0.000 0.221 93 S C 0.066 174.647 174.600 -0.033 0.000 1.030 93 S CA 0.263 58.405 58.200 -0.096 0.000 0.925 93 S CB 1.049 64.217 63.200 -0.053 0.000 0.795 93 S HN 0.392 8.531 8.310 -0.284 0.000 0.511 94 S N -0.584 115.111 115.700 -0.008 0.000 2.611 94 S HA 0.190 4.689 4.470 0.048 0.000 0.268 94 S C -2.530 172.027 174.600 -0.071 0.000 1.156 94 S CA -0.335 57.867 58.200 0.003 0.000 0.817 94 S CB 1.515 64.694 63.200 -0.035 0.000 1.122 94 S HN -0.603 7.668 8.310 -0.066 0.000 0.466 95 L N -0.727 120.450 121.223 -0.077 0.000 2.431 95 L HA 0.389 4.751 4.340 -0.185 -0.133 0.266 95 L C -1.054 175.771 176.870 -0.076 0.000 0.978 95 L CA -0.710 54.051 54.840 -0.132 0.000 0.822 95 L CB 3.472 45.446 42.059 -0.143 0.000 1.310 95 L HN 0.117 8.322 8.230 -0.041 0.000 0.409 96 N N 2.580 121.236 118.700 -0.073 0.000 2.621 96 N HA 0.197 4.932 4.740 -0.008 0.000 0.237 96 N C -0.168 175.347 175.510 0.008 0.000 0.997 96 N CA -1.746 51.293 53.050 -0.018 0.000 0.918 96 N CB 0.710 39.188 38.487 -0.015 0.000 1.122 96 N HN -0.142 8.180 8.380 -0.097 0.000 0.510 97 A N 6.102 128.921 122.820 -0.001 0.000 1.933 97 A HA -0.265 4.042 4.320 -0.022 0.000 0.218 97 A C 1.383 178.962 177.584 -0.008 0.000 1.175 97 A CA 2.742 54.773 52.037 -0.010 0.000 0.628 97 A CB -0.332 18.659 19.000 -0.014 0.000 0.814 97 A HN 0.717 8.865 8.150 -0.003 0.000 0.444 98 A N -1.689 121.133 122.820 0.004 0.000 1.978 98 A HA -0.231 4.030 4.320 -0.099 0.000 0.220 98 A C 0.839 178.291 177.584 -0.220 0.000 1.170 98 A CA 2.477 54.460 52.037 -0.089 0.000 0.636 98 A CB -0.235 18.722 19.000 -0.073 0.000 0.810 98 A HN 0.033 8.310 8.150 0.033 -0.107 0.448 99 H N -5.274 113.787 119.070 -0.016 0.000 2.674 99 H HA 0.194 4.768 4.556 0.030 0.000 0.274 99 H C -1.403 173.925 175.328 0.000 0.000 1.121 99 H CA -0.746 55.306 56.048 0.006 0.000 1.132 99 H CB 0.776 30.536 29.762 -0.003 0.000 1.606 99 H HN -0.752 7.608 8.280 0.171 0.023 0.558 100 N N -0.608 118.125 118.700 0.056 0.000 2.689 100 N HA -0.403 4.328 4.740 -0.016 0.000 0.263 100 N C -1.002 174.488 175.510 -0.032 0.000 0.987 100 N CA 1.599 54.655 53.050 0.010 0.000 0.782 100 N CB -1.755 36.746 38.487 0.023 0.000 0.903 100 N HN -0.281 7.940 8.380 0.030 0.177 0.547 101 T N -6.609 107.890 114.554 -0.091 0.000 2.950 101 T HA 0.801 5.160 4.350 -0.230 -0.147 0.288 101 T C -0.968 173.624 174.700 -0.181 0.000 1.035 101 T CA -2.250 59.729 62.100 -0.202 0.000 1.028 101 T CB 3.944 72.628 68.868 -0.308 0.000 1.109 101 T HN -0.541 7.663 8.240 -0.059 0.000 0.514 102 V N 1.486 121.287 119.914 -0.188 0.000 2.577 102 V HA 0.368 4.427 4.120 -0.303 -0.121 0.303 102 V C -1.581 174.396 176.094 -0.196 0.000 1.042 102 V CA -1.158 60.995 62.300 -0.245 0.000 0.872 102 V CB 3.522 35.204 31.823 -0.235 0.000 0.998 102 V HN 0.273 8.359 8.190 -0.173 0.000 0.423 103 T N 8.253 122.647 114.554 -0.267 0.000 2.829 103 T HA 0.813 5.344 4.350 -0.025 -0.196 0.280 103 T C -1.059 173.449 174.700 -0.320 0.000 0.999 103 T CA -1.081 60.925 62.100 -0.156 0.000 0.983 103 T CB 2.241 71.055 68.868 -0.091 0.000 0.968 103 T HN 0.444 8.505 8.240 -0.298 0.000 0.446 104 F N 4.810 124.775 119.950 0.026 0.000 2.495 104 F HA 0.362 4.922 4.527 0.054 0.000 0.327 104 F C -1.916 173.893 175.800 0.015 0.000 1.103 104 F CA -1.276 56.747 58.000 0.037 0.000 0.949 104 F CB 3.498 42.522 39.000 0.040 0.000 1.142 104 F HN 0.484 8.977 8.300 0.322 0.000 0.457 105 A N 2.435 125.350 122.820 0.159 0.000 2.359 105 A HA 0.984 5.548 4.320 0.089 -0.191 0.303 105 A C -1.929 175.699 177.584 0.074 0.000 1.066 105 A CA -1.108 50.982 52.037 0.089 0.000 0.730 105 A CB 2.324 21.348 19.000 0.041 0.000 1.211 105 A HN 0.199 8.433 8.150 0.140 0.000 0.439 106 A N 3.397 126.246 122.820 0.048 0.000 2.594 106 A HA 0.404 4.820 4.320 0.024 -0.082 0.295 106 A C -1.626 175.947 177.584 -0.018 0.000 1.071 106 A CA -0.802 51.249 52.037 0.023 0.000 0.685 106 A CB 3.554 22.576 19.000 0.037 0.000 1.285 106 A HN 0.152 8.327 8.150 0.041 0.000 0.405 107 G N -1.430 107.354 108.800 -0.026 0.000 2.559 107 G HA2 0.066 4.140 3.960 -0.080 0.000 0.235 107 G HA3 0.066 4.004 3.960 -0.037 0.000 0.235 107 G C 1.055 175.875 174.900 -0.135 0.000 1.266 107 G CA -0.378 44.684 45.100 -0.064 0.000 0.847 107 G HN 0.060 8.670 8.290 -0.010 -0.326 0.583 108 L N 1.304 122.347 121.223 -0.299 0.000 2.450 108 L HA -0.223 3.833 4.340 -0.472 0.000 0.224 108 L C 0.945 177.477 176.870 -0.564 0.000 1.149 108 L CA 2.080 56.556 54.840 -0.606 0.000 0.816 108 L CB -0.355 40.999 42.059 -1.176 0.000 0.932 108 L HN -0.307 7.742 8.230 -0.303 0.000 0.449 109 H N -6.466 112.537 119.070 -0.112 0.000 2.893 109 H HA 0.374 4.960 4.556 0.050 0.000 0.270 109 H C 0.249 175.571 175.328 -0.010 0.000 1.095 109 H CA -0.487 55.556 56.048 -0.009 0.000 1.186 109 H CB 0.610 30.373 29.762 0.002 0.000 1.562 109 H HN -0.005 8.167 8.280 -0.079 0.060 0.536 110 E N 0.507 120.744 120.200 0.062 0.000 2.322 110 E HA 0.142 4.519 4.350 0.045 0.000 0.257 110 E C 0.247 176.859 176.600 0.021 0.000 1.155 110 E CA -0.303 56.120 56.400 0.038 0.000 0.936 110 E CB 1.298 31.012 29.700 0.023 0.000 1.130 110 E HN -0.677 7.582 8.360 0.020 0.112 0.465 111 c N -3.337 115.271 118.600 0.014 0.000 4.358 111 c HA -0.239 4.335 4.570 0.007 0.000 0.287 111 c C 0.570 174.653 174.090 -0.011 0.000 1.414 111 c CA 0.386 56.719 56.329 0.007 0.000 1.949 111 c CB -2.618 39.902 42.510 0.016 0.000 1.274 111 c HN 0.949 9.187 8.230 0.014 0.000 0.793 112 G N -2.836 105.948 108.800 -0.026 0.000 2.137 112 G HA2 -0.432 3.467 3.960 -0.101 0.000 0.237 112 G HA3 -0.432 3.459 3.960 -0.115 0.000 0.237 112 G C -0.534 174.320 174.900 -0.077 0.000 1.002 112 G CA -0.179 44.869 45.100 -0.086 0.000 0.702 112 G HN 0.459 8.698 8.290 -0.013 0.044 0.515 113 S N -0.524 115.177 115.700 0.000 0.000 2.589 113 S HA -0.009 4.621 4.470 0.052 -0.128 0.265 113 S C -0.058 174.576 174.600 0.057 0.000 1.342 113 S CA -0.006 58.222 58.200 0.048 0.000 1.005 113 S CB 1.903 65.150 63.200 0.078 0.000 0.909 113 S HN -0.736 7.583 8.310 0.014 0.000 0.555 114 V N 1.046 121.010 119.914 0.083 0.000 2.577 114 V HA 0.215 4.372 4.120 0.061 0.000 0.303 114 V C -1.798 174.306 176.094 0.016 0.000 1.042 114 V CA -0.861 61.478 62.300 0.065 0.000 0.872 114 V CB 3.149 35.034 31.823 0.102 0.000 0.998 114 V HN -0.074 8.172 8.190 0.095 0.000 0.423 115 V N 6.835 126.737 119.914 -0.019 0.000 2.435 115 V HA 0.535 4.658 4.120 -0.327 -0.199 0.290 115 V C -1.442 174.567 176.094 -0.142 0.000 1.030 115 V CA -2.674 59.500 62.300 -0.210 0.000 0.881 115 V CB 1.546 33.182 31.823 -0.311 0.000 0.983 115 V HN 0.248 8.453 8.190 0.025 0.000 0.445 116 Q N 9.167 128.851 119.800 -0.193 0.000 2.293 116 Q HA 0.343 4.657 4.340 -0.043 0.000 0.261 116 Q C -1.862 174.061 176.000 -0.128 0.000 0.960 116 Q CA -1.622 54.119 55.803 -0.102 0.000 0.882 116 Q CB 3.265 31.961 28.738 -0.069 0.000 1.275 116 Q HN 0.281 8.390 8.270 -0.267 0.000 0.445 117 V N 8.558 128.435 119.914 -0.061 0.000 2.318 117 V HA 0.251 4.324 4.120 -0.078 0.000 0.271 117 V C -0.396 175.688 176.094 -0.017 0.000 1.030 117 V CA -0.949 61.322 62.300 -0.049 0.000 0.844 117 V CB 0.200 32.011 31.823 -0.020 0.000 1.015 117 V HN 0.487 8.662 8.190 -0.025 0.000 0.460 118 T N 4.582 119.124 114.554 -0.021 0.000 2.897 118 T HA 0.576 4.933 4.350 0.011 0.000 0.278 118 T C -0.696 174.008 174.700 0.007 0.000 0.981 118 T CA -3.377 58.724 62.100 0.002 0.000 0.973 118 T CB 1.250 70.122 68.868 0.006 0.000 1.092 118 T HN 0.029 8.247 8.240 -0.037 0.000 0.543 119 P HA -0.156 4.269 4.420 0.008 0.000 0.216 119 P C -0.328 176.982 177.300 0.017 0.000 1.150 119 P CA 2.327 65.434 63.100 0.013 0.000 0.843 119 P CB 0.031 31.741 31.700 0.015 0.000 0.787 120 D N -7.758 112.656 120.400 0.023 0.000 2.520 120 D HA 0.063 4.720 4.640 0.029 0.000 0.223 120 D C -1.047 175.277 176.300 0.040 0.000 1.186 120 D CA -0.605 53.414 54.000 0.031 0.000 0.821 120 D CB 2.084 42.903 40.800 0.033 0.000 1.072 120 D HN -0.344 8.015 8.370 0.024 0.025 0.518 121 T N -4.515 110.058 114.554 0.032 0.000 2.868 121 T HA 0.547 5.064 4.350 0.064 -0.129 0.306 121 T C -2.173 172.524 174.700 -0.005 0.000 1.224 121 T CA -1.412 60.710 62.100 0.037 0.000 1.012 121 T CB 3.390 72.286 68.868 0.047 0.000 1.221 121 T HN -0.605 7.647 8.240 0.020 0.000 0.499 122 L N 1.406 122.632 121.223 0.007 0.000 2.341 122 L HA 0.610 4.997 4.340 -0.156 -0.141 0.278 122 L C -1.748 175.023 176.870 -0.165 0.000 1.005 122 L CA -1.224 53.556 54.840 -0.099 0.000 0.818 122 L CB 3.376 45.405 42.059 -0.049 0.000 1.259 122 L HN 0.667 8.943 8.230 0.076 0.000 0.418 123 I N 1.782 122.143 120.570 -0.348 0.000 2.411 123 I HA 0.520 4.679 4.170 -0.360 -0.205 0.284 123 I C -1.030 174.857 176.117 -0.384 0.000 1.012 123 I CA -1.310 59.754 61.300 -0.393 0.000 1.119 123 I CB 1.935 39.653 38.000 -0.469 0.000 1.261 123 I HN 0.247 8.240 8.210 -0.361 0.000 0.448 124 Y N 7.322 127.589 120.300 -0.054 0.000 2.320 124 Y HA 0.295 4.967 4.550 -0.053 -0.154 0.334 124 Y C -0.808 175.060 175.900 -0.054 0.000 1.055 124 Y CA -0.972 57.105 58.100 -0.039 0.000 1.143 124 Y CB 1.573 40.033 38.460 0.000 0.000 1.193 124 Y HN 0.378 8.772 8.280 0.189 0.000 0.477 125 R N 3.235 123.774 120.500 0.064 0.000 2.534 125 R HA 0.804 5.320 4.340 0.007 -0.172 0.301 125 R C -0.819 175.516 176.300 0.058 0.000 0.961 125 R CA -0.960 55.144 56.100 0.007 0.000 0.871 125 R CB 3.731 33.959 30.300 -0.119 0.000 1.170 125 R HN 0.367 8.676 8.270 0.065 0.000 0.446 126 T N 2.582 117.167 114.554 0.052 0.000 2.598 126 T HA 0.359 4.770 4.350 0.102 0.000 0.289 126 T C -2.601 172.127 174.700 0.047 0.000 1.056 126 T CA -2.299 59.840 62.100 0.065 0.000 1.088 126 T CB 1.471 70.363 68.868 0.040 0.000 1.519 126 T HN 0.243 8.505 8.240 0.037 0.000 0.488 127 L N -5.097 116.143 121.223 0.027 0.000 2.622 127 L HA 0.763 5.241 4.340 0.000 -0.138 0.258 127 L C -2.396 174.440 176.870 -0.056 0.000 0.996 127 L CA -0.537 54.306 54.840 0.005 0.000 0.858 127 L CB 3.623 45.706 42.059 0.041 0.000 1.449 127 L HN 0.075 8.317 8.230 0.020 0.000 0.411 128 I N -0.279 120.248 120.570 -0.072 0.000 2.331 128 I HA 0.503 4.695 4.170 -0.235 -0.163 0.292 128 I C -0.712 175.386 176.117 -0.031 0.000 0.998 128 I CA -2.401 58.818 61.300 -0.135 0.000 1.267 128 I CB 0.046 37.959 38.000 -0.144 0.000 1.386 128 I HN -0.062 8.122 8.210 -0.043 0.000 0.476 129 N N 7.262 125.950 118.700 -0.019 0.000 2.430 129 N HA 0.306 5.226 4.740 0.089 -0.127 0.292 129 N C -1.525 174.082 175.510 0.161 0.000 1.051 129 N CA -0.896 52.196 53.050 0.070 0.000 0.917 129 N CB 2.577 41.097 38.487 0.055 0.000 1.164 129 N HN 0.217 8.555 8.380 -0.069 0.000 0.484 130 Y N 5.355 125.693 120.300 0.063 0.000 2.369 130 Y HA 0.442 5.246 4.550 0.090 -0.200 0.337 130 Y C -2.224 173.735 175.900 0.098 0.000 0.961 130 Y CA -1.939 56.219 58.100 0.097 0.000 1.186 130 Y CB 1.770 40.319 38.460 0.148 0.000 1.139 130 Y HN 0.354 8.798 8.280 0.273 0.000 0.494 131 D N 8.745 129.017 120.400 -0.214 0.000 2.446 131 D HA 0.439 4.910 4.640 -0.281 0.000 0.251 131 D C -2.706 173.373 176.300 -0.367 0.000 1.137 131 D CA -3.273 50.571 54.000 -0.259 0.000 0.890 131 D CB 2.594 43.350 40.800 -0.073 0.000 1.071 131 D HN 0.219 8.548 8.370 -0.067 0.000 0.528 132 P HA 0.040 4.236 4.420 -0.374 0.000 0.269 132 P C -0.420 176.800 177.300 -0.133 0.000 1.209 132 P CA -0.379 62.498 63.100 -0.371 0.000 0.776 132 P CB 0.774 32.293 31.700 -0.303 0.000 0.876 133 S N 4.284 119.957 115.700 -0.044 0.000 2.585 133 S HA 0.049 4.514 4.470 -0.008 0.000 0.273 133 S C -1.174 173.424 174.600 -0.004 0.000 1.339 133 S CA -1.324 56.874 58.200 -0.005 0.000 1.028 133 S CB -0.522 62.696 63.200 0.029 0.000 0.906 133 S HN -0.164 8.288 8.310 -0.016 -0.152 0.528 134 P HA -0.085 4.332 4.420 -0.004 0.000 0.266 134 P C -1.033 176.272 177.300 0.009 0.000 1.195 134 P CA 0.355 63.456 63.100 0.002 0.000 0.768 134 P CB 0.241 31.944 31.700 0.005 0.000 0.838 135 A N 2.255 125.080 122.820 0.007 0.000 2.327 135 A HA -0.019 4.311 4.320 0.017 0.000 0.255 135 A C 0.336 177.927 177.584 0.012 0.000 1.099 135 A CA -0.196 51.848 52.037 0.012 0.000 0.801 135 A CB 1.020 20.025 19.000 0.009 0.000 1.062 135 A HN 0.054 8.206 8.150 0.003 0.000 0.496 136 S N -1.771 113.937 115.700 0.014 0.000 2.389 136 S HA -0.328 4.150 4.470 0.014 0.000 0.231 136 S C 0.004 174.610 174.600 0.010 0.000 1.052 136 S CA 1.977 60.185 58.200 0.013 0.000 1.053 136 S CB 0.125 63.333 63.200 0.013 0.000 0.886 136 S HN -0.029 8.290 8.310 0.016 0.000 0.456 137 N N 0.905 119.610 118.700 0.008 0.000 2.442 137 N HA 0.408 5.152 4.740 0.007 0.000 0.274 137 N C -2.051 173.462 175.510 0.005 0.000 1.002 137 N CA -2.640 50.414 53.050 0.007 0.000 0.910 137 N CB 0.775 39.266 38.487 0.006 0.000 1.244 137 N HN -0.484 7.906 8.380 0.009 -0.005 0.492 138 P HA 0.007 4.429 4.420 0.003 0.000 0.236 138 P C -0.313 176.988 177.300 0.002 0.000 1.172 138 P CA 0.733 63.834 63.100 0.003 0.000 0.759 138 P CB 0.029 31.732 31.700 0.004 0.000 0.843 139 V N -6.795 113.120 119.914 0.003 0.000 2.871 139 V HA -0.120 4.001 4.120 0.002 0.000 0.256 139 V C 0.023 176.117 176.094 0.001 0.000 1.082 139 V CA 0.985 63.286 62.300 0.002 0.000 1.105 139 V CB 0.220 32.045 31.823 0.003 0.000 0.713 139 V HN -0.638 7.701 8.190 0.003 -0.147 0.473 140 I N -4.436 116.134 120.570 0.001 0.000 2.982 140 I HA 0.368 4.538 4.170 -0.001 0.000 0.312 140 I C -1.684 174.432 176.117 -0.001 0.000 1.041 140 I CA -1.268 60.032 61.300 -0.000 0.000 1.053 140 I CB 2.539 40.539 38.000 0.001 0.000 1.248 140 I HN -0.576 7.610 8.210 0.002 0.025 0.471 141 I N 0.871 121.439 120.570 -0.003 0.000 2.499 141 I HA 0.262 4.429 4.170 -0.005 0.000 0.288 141 I C -0.341 175.773 176.117 -0.004 0.000 1.048 141 I CA -0.324 60.972 61.300 -0.006 0.000 1.062 141 I CB 2.118 40.111 38.000 -0.011 0.000 1.238 141 I HN 0.012 8.220 8.210 -0.003 0.000 0.426 142 R N 5.055 125.556 120.500 0.002 0.000 2.254 142 R HA 0.080 4.421 4.340 0.001 0.000 0.193 142 R C -0.441 175.863 176.300 0.006 0.000 0.929 142 R CA 0.136 56.240 56.100 0.006 0.000 1.038 142 R CB 0.935 31.244 30.300 0.016 0.000 1.009 142 R HN 0.369 8.642 8.270 0.005 0.000 0.512 143 T N 0.569 115.130 114.554 0.012 0.000 2.879 143 T HA 0.117 4.469 4.350 0.003 0.000 0.290 143 T C -1.283 173.416 174.700 -0.001 0.000 0.993 143 T CA -0.709 61.405 62.100 0.024 0.000 0.975 143 T CB 1.637 70.568 68.868 0.104 0.000 0.981 143 T HN -0.389 7.856 8.240 0.009 0.000 0.439 144 N N 5.717 124.399 118.700 -0.030 0.000 2.508 144 N HA 0.205 4.926 4.740 -0.032 0.000 0.264 144 N C -1.867 173.648 175.510 0.009 0.000 1.216 144 N CA -1.126 51.904 53.050 -0.033 0.000 0.943 144 N CB 0.201 38.650 38.487 -0.065 0.000 1.113 144 N HN 0.132 8.475 8.380 -0.062 0.000 0.447 145 P HA -0.003 4.445 4.420 -0.118 -0.099 0.274 145 P C -1.442 175.959 177.300 0.169 0.000 1.264 145 P CA 0.079 63.180 63.100 0.001 0.000 0.795 145 P CB 0.991 32.683 31.700 -0.013 0.000 1.064 146 A N -3.174 119.789 122.820 0.239 0.000 2.601 146 A HA 0.257 4.694 4.320 0.194 0.000 0.291 146 A C -2.721 174.985 177.584 0.204 0.000 1.075 146 A CA 0.030 52.229 52.037 0.270 0.000 0.671 146 A CB 2.442 21.720 19.000 0.462 0.000 1.277 146 A HN -0.073 8.198 8.150 0.202 0.000 0.417 147 V N 0.473 120.479 119.914 0.153 0.000 2.668 147 V HA 0.675 5.030 4.120 0.102 -0.174 0.304 147 V C -1.181 174.965 176.094 0.087 0.000 1.071 147 V CA -1.186 61.177 62.300 0.104 0.000 0.894 147 V CB 3.243 35.112 31.823 0.077 0.000 1.008 147 V HN 0.201 8.481 8.190 0.152 0.000 0.425 148 I N 6.728 127.335 120.570 0.061 0.000 2.382 148 I HA 0.456 4.656 4.170 0.052 0.000 0.286 148 I C -2.214 173.919 176.117 0.026 0.000 1.002 148 I CA -3.243 58.082 61.300 0.042 0.000 1.135 148 I CB 2.762 40.777 38.000 0.025 0.000 1.288 148 I HN 0.326 8.567 8.210 0.051 0.000 0.448 149 P HA 0.083 4.518 4.420 0.026 0.000 0.271 149 P C -1.345 175.964 177.300 0.016 0.000 1.216 149 P CA -0.541 62.575 63.100 0.026 0.000 0.776 149 P CB 0.367 32.087 31.700 0.033 0.000 0.881 150 I N 3.909 124.487 120.570 0.013 0.000 2.498 150 I HA 0.230 4.409 4.170 0.015 0.000 0.290 150 I C -1.270 174.863 176.117 0.026 0.000 1.032 150 I CA -1.561 59.748 61.300 0.015 0.000 1.073 150 I CB 3.117 41.121 38.000 0.006 0.000 1.251 150 I HN 0.207 8.425 8.210 0.014 0.000 0.426 151 E N 5.079 125.305 120.200 0.043 0.000 2.314 151 E HA 0.535 5.086 4.350 0.061 -0.164 0.272 151 E C -1.501 175.171 176.600 0.119 0.000 0.884 151 E CA -1.538 54.909 56.400 0.079 0.000 0.753 151 E CB 3.839 33.604 29.700 0.108 0.000 1.213 151 E HN 0.123 8.507 8.360 0.039 0.000 0.432 152 c N 3.460 122.150 118.600 0.151 0.000 2.446 152 c HA 0.429 5.022 4.570 0.039 0.000 0.329 152 c C -1.235 172.906 174.090 0.085 0.000 1.166 152 c CA -0.746 55.646 56.329 0.104 0.000 1.341 152 c CB 2.052 44.660 42.510 0.164 0.000 1.970 152 c HN 0.280 8.591 8.230 0.134 0.000 0.452 153 H N 4.354 123.279 119.070 -0.242 0.000 2.457 153 H HA 0.826 5.530 4.556 -0.029 -0.165 0.335 153 H C -0.619 174.481 175.328 -0.380 0.000 1.115 153 H CA -1.278 54.667 56.048 -0.171 0.000 1.219 153 H CB 2.541 32.238 29.762 -0.109 0.000 1.471 153 H HN 0.263 8.566 8.280 0.039 0.000 0.491 154 Y N 0.845 121.231 120.300 0.144 0.000 2.421 154 Y HA 0.265 4.881 4.550 0.109 0.000 0.339 154 Y C -2.251 173.696 175.900 0.078 0.000 0.996 154 Y CA -2.946 55.223 58.100 0.114 0.000 1.046 154 Y CB 2.807 41.350 38.460 0.138 0.000 1.226 154 Y HN 0.474 8.895 8.280 0.235 0.000 0.445 155 P HA 0.143 4.759 4.420 0.110 -0.130 0.271 155 P C -0.350 177.025 177.300 0.126 0.000 1.218 155 P CA -0.549 62.630 63.100 0.131 0.000 0.780 155 P CB 0.585 32.344 31.700 0.099 0.000 0.901 156 R N 3.311 123.862 120.500 0.085 0.000 2.652 156 R HA 0.174 4.558 4.340 0.073 0.000 0.272 156 R C 0.401 176.733 176.300 0.053 0.000 1.162 156 R CA -0.057 56.082 56.100 0.065 0.000 1.199 156 R CB 0.970 31.296 30.300 0.044 0.000 1.166 156 R HN 0.061 8.375 8.270 0.073 0.000 0.597 181 R N 3.338 123.788 120.500 -0.084 0.000 2.643 181 R HA 0.356 4.657 4.340 -0.064 0.000 0.272 181 R C -1.064 175.197 176.300 -0.064 0.000 0.995 181 R CA -0.621 55.443 56.100 -0.059 0.000 1.032 181 R CB 1.420 31.705 30.300 -0.025 0.000 1.126 181 R HN 0.141 8.372 8.270 -0.066 0.000 0.505 182 L N 1.903 123.095 121.223 -0.051 0.000 2.312 182 L HA 0.113 4.350 4.340 -0.171 0.000 0.281 182 L C 0.191 176.999 176.870 -0.102 0.000 1.070 182 L CA -0.751 54.006 54.840 -0.138 0.000 0.805 182 L CB 0.968 42.900 42.059 -0.212 0.000 1.174 182 L HN 0.102 8.326 8.230 -0.010 0.000 0.434 183 V N -0.566 119.244 119.914 -0.173 0.000 2.357 183 V HA 0.421 4.570 4.120 0.049 0.000 0.284 183 V C -0.932 175.068 176.094 -0.157 0.000 1.018 183 V CA -1.169 61.090 62.300 -0.068 0.000 0.841 183 V CB 1.239 33.047 31.823 -0.024 0.000 0.991 183 V HN -0.072 7.995 8.190 -0.206 0.000 0.437 184 F N 6.694 126.647 119.950 0.004 0.000 2.371 184 F HA 0.577 5.270 4.527 0.020 -0.154 0.329 184 F C 0.385 176.200 175.800 0.025 0.000 1.107 184 F CA -0.617 57.393 58.000 0.016 0.000 1.137 184 F CB 1.963 40.969 39.000 0.011 0.000 1.214 184 F HN 0.327 8.886 8.300 0.433 0.000 0.536 185 S N -1.128 114.701 115.700 0.214 0.000 2.537 185 S HA 0.328 4.888 4.470 0.150 0.000 0.270 185 S C -2.074 172.621 174.600 0.157 0.000 1.142 185 S CA -0.774 57.517 58.200 0.151 0.000 0.870 185 S CB 2.538 65.794 63.200 0.094 0.000 1.112 185 S HN 0.185 8.628 8.310 0.221 0.000 0.466 186 L N 1.809 123.121 121.223 0.148 0.000 2.329 186 L HA 0.595 5.189 4.340 0.144 -0.168 0.279 186 L C -0.136 176.810 176.870 0.127 0.000 1.014 186 L CA -0.930 53.996 54.840 0.143 0.000 0.814 186 L CB 1.758 43.910 42.059 0.156 0.000 1.257 186 L HN 0.368 8.684 8.230 0.142 0.000 0.424 187 R N 0.849 121.408 120.500 0.097 0.000 2.750 187 R HA 0.364 4.780 4.340 0.126 0.000 0.281 187 R C -2.041 174.266 176.300 0.012 0.000 0.972 187 R CA -1.736 54.417 56.100 0.090 0.000 0.912 187 R CB 3.380 33.739 30.300 0.099 0.000 1.187 187 R HN 0.198 8.520 8.270 0.086 0.000 0.464 188 L N 3.982 125.169 121.223 -0.060 0.000 2.260 188 L HA 0.397 4.743 4.340 -0.198 -0.125 0.289 188 L C -1.426 175.377 176.870 -0.112 0.000 1.057 188 L CA -0.289 54.435 54.840 -0.194 0.000 0.811 188 L CB 1.455 43.214 42.059 -0.500 0.000 1.184 188 L HN 0.517 8.735 8.230 -0.021 0.000 0.429 189 M N 5.322 124.838 119.600 -0.140 0.000 2.705 189 M HA 0.540 5.095 4.480 -0.059 -0.111 0.311 189 M C -0.462 175.680 176.300 -0.263 0.000 1.214 189 M CA -2.969 52.249 55.300 -0.136 0.000 0.920 189 M CB 2.952 35.532 32.600 -0.033 0.000 1.687 189 M HN 0.712 8.886 8.290 -0.193 0.000 0.481 190 S N 0.534 116.106 115.700 -0.212 0.000 2.624 190 S HA 0.036 4.378 4.470 -0.214 0.000 0.263 190 S C 1.073 175.436 174.600 -0.395 0.000 1.287 190 S CA -0.574 57.487 58.200 -0.233 0.000 0.990 190 S CB 1.212 64.331 63.200 -0.135 0.000 0.950 190 S HN 0.084 8.312 8.310 -0.136 0.000 0.561 191 D N -2.027 118.180 120.400 -0.321 0.000 2.265 191 D HA -0.211 4.382 4.640 -0.526 -0.269 0.208 191 D C -0.012 176.072 176.300 -0.359 0.000 0.977 191 D CA 2.275 56.050 54.000 -0.374 0.000 0.871 191 D CB -0.576 40.102 40.800 -0.203 0.000 0.925 191 D HN 0.465 8.695 8.370 -0.234 0.000 0.485 192 D N -4.477 115.800 120.400 -0.205 0.000 2.339 192 D HA -0.136 4.518 4.640 0.024 0.000 0.217 192 D C 0.169 176.555 176.300 0.143 0.000 1.050 192 D CA -0.561 53.424 54.000 -0.025 0.000 0.856 192 D CB -1.120 39.688 40.800 0.012 0.000 0.922 192 D HN -0.298 7.936 8.370 -0.175 0.031 0.518 193 W N -5.513 115.783 121.300 -0.006 0.000 2.303 193 W HA -0.407 4.245 4.660 -0.013 0.000 0.267 193 W C 0.392 176.909 176.519 -0.003 0.000 1.054 193 W CA 0.890 58.231 57.345 -0.007 0.000 0.501 193 W CB -2.351 27.108 29.460 -0.002 0.000 2.076 193 W HN 0.001 7.861 8.180 -0.257 0.166 1.317 194 S N -2.202 113.596 115.700 0.162 0.000 2.371 194 S HA -0.142 4.400 4.470 0.120 0.000 0.224 194 S C 0.613 175.264 174.600 0.084 0.000 1.029 194 S CA 2.488 60.753 58.200 0.108 0.000 0.978 194 S CB 1.044 64.282 63.200 0.064 0.000 0.833 194 S HN -0.498 8.044 8.310 0.109 -0.167 0.466 195 T N -0.515 114.075 114.554 0.059 0.000 2.865 195 T HA 0.309 4.693 4.350 0.056 0.000 0.294 195 T C -1.861 172.861 174.700 0.036 0.000 1.119 195 T CA -2.030 60.097 62.100 0.045 0.000 1.007 195 T CB 2.614 71.497 68.868 0.025 0.000 1.225 195 T HN -0.826 7.439 8.240 0.043 0.000 0.515 196 E N 1.558 121.785 120.200 0.044 0.000 2.373 196 E HA -0.009 4.481 4.350 0.033 -0.120 0.263 196 E C -0.236 176.377 176.600 0.022 0.000 1.073 196 E CA 0.511 56.937 56.400 0.043 0.000 0.894 196 E CB 1.318 31.064 29.700 0.077 0.000 1.008 196 E HN 0.198 8.589 8.360 0.051 0.000 0.420 197 R N 4.741 125.243 120.500 0.005 0.000 2.867 197 R HA 0.442 4.777 4.340 -0.008 0.000 0.268 197 R C -2.296 174.025 176.300 0.035 0.000 1.014 197 R CA -2.600 53.491 56.100 -0.015 0.000 0.946 197 R CB 0.255 30.506 30.300 -0.081 0.000 1.208 197 R HN 0.114 8.381 8.270 -0.005 0.000 0.477 198 P HA -0.015 4.547 4.420 0.235 0.000 0.268 198 P C -0.471 176.923 177.300 0.157 0.000 1.208 198 P CA -0.355 62.820 63.100 0.124 0.000 0.777 198 P CB 0.308 32.018 31.700 0.017 0.000 0.875 199 F N -1.352 118.646 119.950 0.081 0.000 2.804 199 F HA 0.084 4.797 4.527 0.310 0.000 0.303 199 F C 0.283 176.198 175.800 0.191 0.000 1.154 199 F CA 0.049 58.158 58.000 0.181 0.000 1.401 199 F CB -0.078 38.980 39.000 0.096 0.000 1.106 199 F HN 0.337 9.006 8.300 0.614 0.000 0.568 200 T N -5.609 109.051 114.554 0.177 0.000 2.930 200 T HA 0.180 4.621 4.350 0.152 0.000 0.290 200 T C -0.004 174.601 174.700 -0.158 0.000 1.052 200 T CA -1.922 60.220 62.100 0.070 0.000 1.017 200 T CB 2.684 71.584 68.868 0.054 0.000 1.137 200 T HN -0.691 7.537 8.240 0.108 0.077 0.511 201 G N 1.114 109.847 108.800 -0.112 0.000 2.144 201 G HA2 -0.289 3.606 3.960 -0.109 0.000 0.218 201 G HA3 -0.289 3.519 3.960 -0.254 0.000 0.218 201 G C -0.687 174.055 174.900 -0.263 0.000 0.988 201 G CA -0.141 44.841 45.100 -0.196 0.000 0.659 201 G HN 0.346 8.628 8.290 -0.014 0.000 0.522 202 F N -0.202 119.712 119.950 -0.059 0.000 2.399 202 F HA 0.066 4.682 4.527 -0.082 -0.138 0.342 202 F C 0.185 175.945 175.800 -0.066 0.000 1.106 202 F CA -0.126 57.827 58.000 -0.079 0.000 1.196 202 F CB 0.819 39.753 39.000 -0.110 0.000 1.163 202 F HN -0.474 7.877 8.300 0.086 0.000 0.547 203 Q N 0.859 120.736 119.800 0.129 0.000 2.413 203 Q HA 0.290 4.659 4.340 0.048 0.000 0.276 203 Q C -1.228 174.798 176.000 0.044 0.000 1.099 203 Q CA -1.904 53.933 55.803 0.056 0.000 0.814 203 Q CB 3.371 32.119 28.738 0.017 0.000 1.379 203 Q HN 0.281 8.876 8.270 0.145 -0.239 0.436 204 L N 1.142 122.374 121.223 0.016 0.000 2.559 204 L HA -0.485 3.852 4.340 -0.005 0.000 0.274 204 L C 1.317 178.192 176.870 0.008 0.000 1.205 204 L CA 2.293 57.134 54.840 0.003 0.000 0.907 204 L CB -0.992 41.066 42.059 -0.002 0.000 1.153 204 L HN 0.477 8.714 8.230 0.012 0.000 0.490 205 G N 3.659 112.463 108.800 0.008 0.000 2.307 205 G HA2 -0.343 3.621 3.960 0.007 0.000 0.210 205 G HA3 -0.343 3.621 3.960 0.006 0.000 0.210 205 G C -0.036 174.873 174.900 0.015 0.000 1.005 205 G CA -0.430 44.675 45.100 0.009 0.000 0.634 205 G HN 0.509 8.801 8.290 0.005 0.000 0.496 206 D N 1.617 122.037 120.400 0.033 0.000 2.384 206 D HA 0.084 4.746 4.640 0.035 0.000 0.244 206 D C -1.401 174.920 176.300 0.035 0.000 1.251 206 D CA 0.551 54.587 54.000 0.059 0.000 0.961 206 D CB 1.044 41.943 40.800 0.163 0.000 1.116 206 D HN -0.235 8.100 8.370 0.041 0.059 0.484 207 I N -1.300 119.290 120.570 0.034 0.000 2.498 207 I HA 0.353 4.626 4.170 -0.036 -0.125 0.290 207 I C -0.384 175.698 176.117 -0.058 0.000 1.032 207 I CA -1.208 60.078 61.300 -0.023 0.000 1.073 207 I CB 2.520 40.502 38.000 -0.030 0.000 1.251 207 I HN 0.077 8.319 8.210 0.054 0.000 0.426 208 L N 7.162 128.286 121.223 -0.165 0.000 2.313 208 L HA 0.146 4.328 4.340 -0.264 0.000 0.282 208 L C -1.232 175.500 176.870 -0.230 0.000 1.092 208 L CA -0.684 54.000 54.840 -0.260 0.000 0.831 208 L CB 0.225 42.072 42.059 -0.353 0.000 1.159 208 L HN 0.390 8.521 8.230 -0.164 0.000 0.442 209 N N 4.982 123.491 118.700 -0.319 0.000 2.500 209 N HA 0.262 4.925 4.740 -0.332 -0.122 0.236 209 N C -1.119 174.195 175.510 -0.327 0.000 1.022 209 N CA 0.087 52.842 53.050 -0.490 0.000 0.935 209 N CB 0.809 38.609 38.487 -1.144 0.000 1.147 209 N HN 0.471 8.670 8.380 -0.302 0.000 0.512 210 I N 3.503 123.911 120.570 -0.269 0.000 2.359 210 I HA 0.410 4.617 4.170 -0.209 -0.162 0.294 210 I C -1.799 174.209 176.117 -0.182 0.000 0.987 210 I CA -0.905 60.183 61.300 -0.354 0.000 1.225 210 I CB 1.981 39.529 38.000 -0.753 0.000 1.366 210 I HN 0.396 8.407 8.210 -0.331 0.000 0.466 211 Q N 7.662 127.480 119.800 0.030 0.000 2.341 211 Q HA 0.438 4.807 4.340 0.049 0.000 0.268 211 Q C -1.974 174.082 176.000 0.094 0.000 1.013 211 Q CA -1.803 54.054 55.803 0.092 0.000 0.798 211 Q CB 3.091 31.935 28.738 0.176 0.000 1.253 211 Q HN 0.365 8.654 8.270 0.032 0.000 0.457 212 A N 7.493 130.406 122.820 0.156 0.000 2.309 212 A HA 0.761 5.360 4.320 0.198 -0.160 0.298 212 A C -1.612 176.058 177.584 0.144 0.000 1.165 212 A CA -1.717 50.446 52.037 0.210 0.000 0.821 212 A CB 2.221 21.423 19.000 0.336 0.000 1.102 212 A HN 0.690 8.948 8.150 0.181 0.000 0.500 213 E N 0.918 121.196 120.200 0.130 0.000 2.430 213 E HA 0.898 5.431 4.350 0.043 -0.157 0.279 213 E C -2.400 174.209 176.600 0.015 0.000 1.003 213 E CA -1.699 54.736 56.400 0.058 0.000 0.801 213 E CB 4.448 34.166 29.700 0.030 0.000 1.313 213 E HN 0.031 8.484 8.360 0.155 0.000 0.459 214 V N 0.966 120.826 119.914 -0.090 0.000 2.638 214 V HA 0.497 4.569 4.120 -0.343 -0.157 0.306 214 V C -1.798 174.175 176.094 -0.201 0.000 1.052 214 V CA -2.963 59.171 62.300 -0.278 0.000 0.885 214 V CB 3.285 34.834 31.823 -0.457 0.000 0.999 214 V HN -0.405 7.739 8.190 -0.076 0.000 0.424 215 S N 6.944 122.520 115.700 -0.206 0.000 2.559 215 S HA -0.017 4.400 4.470 -0.087 0.000 0.282 215 S C 0.067 174.604 174.600 -0.105 0.000 1.336 215 S CA 0.341 58.467 58.200 -0.122 0.000 1.037 215 S CB 0.486 63.623 63.200 -0.106 0.000 0.853 215 S HN -0.093 8.063 8.310 -0.256 0.000 0.523 216 T N -0.448 114.068 114.554 -0.064 0.000 2.992 216 T HA 0.053 4.374 4.350 -0.049 0.000 0.299 216 T C 0.126 174.808 174.700 -0.030 0.000 1.027 216 T CA -0.894 61.180 62.100 -0.044 0.000 1.001 216 T CB -0.084 68.766 68.868 -0.030 0.000 1.005 216 T HN 0.086 8.294 8.240 -0.053 0.000 0.599 217 E N 6.431 126.614 120.200 -0.029 0.000 2.405 217 E HA -0.070 4.268 4.350 -0.021 0.000 0.253 217 E C -0.134 176.482 176.600 0.027 0.000 1.257 217 E CA -1.069 55.324 56.400 -0.011 0.000 0.960 217 E CB 0.448 30.135 29.700 -0.021 0.000 1.077 217 E HN -0.190 8.148 8.360 -0.037 0.000 0.512 218 N N -1.622 117.109 118.700 0.051 0.000 2.166 218 N HA -0.214 4.559 4.740 0.055 0.000 0.186 218 N C -0.318 175.276 175.510 0.140 0.000 1.019 218 N CA 1.532 54.635 53.050 0.089 0.000 0.856 218 N CB -0.123 38.432 38.487 0.113 0.000 0.993 218 N HN 0.189 8.590 8.380 0.035 0.000 0.426 219 H N -1.461 117.598 119.070 -0.018 0.000 2.465 219 H HA -0.043 4.507 4.556 -0.011 0.000 0.367 219 H C 0.137 175.455 175.328 -0.017 0.000 1.737 219 H CA -0.185 55.854 56.048 -0.015 0.000 1.447 219 H CB 0.865 30.620 29.762 -0.013 0.000 1.620 219 H HN -0.548 7.861 8.280 0.248 0.020 0.587 220 V N -3.826 116.103 119.914 0.025 0.000 3.287 220 V HA -0.018 4.082 4.120 -0.033 0.000 0.306 220 V C -0.926 175.174 176.094 0.010 0.000 1.103 220 V CA -1.674 60.618 62.300 -0.014 0.000 1.159 220 V CB -0.099 31.704 31.823 -0.034 0.000 1.036 220 V HN 0.015 8.201 8.190 -0.006 0.000 0.487 221 P HA 0.000 4.411 4.420 -0.016 0.000 0.268 221 P C -1.629 175.665 177.300 -0.010 0.000 1.204 221 P CA 0.096 63.189 63.100 -0.013 0.000 0.768 221 P CB 0.436 32.126 31.700 -0.017 0.000 0.842 222 L N 0.703 121.913 121.223 -0.022 0.000 2.235 222 L HA 0.508 4.846 4.340 -0.004 0.000 0.260 222 L C -0.729 176.106 176.870 -0.059 0.000 1.025 222 L CA -1.913 52.914 54.840 -0.022 0.000 0.836 222 L CB 4.268 46.318 42.059 -0.016 0.000 1.395 222 L HN -0.027 8.183 8.230 -0.032 0.000 0.443 223 R N -0.831 119.622 120.500 -0.078 0.000 2.532 223 R HA 0.387 4.752 4.340 -0.207 -0.149 0.297 223 R C -2.053 174.072 176.300 -0.292 0.000 0.984 223 R CA -1.444 54.531 56.100 -0.210 0.000 0.884 223 R CB 3.815 33.972 30.300 -0.238 0.000 1.182 223 R HN 0.130 8.376 8.270 -0.040 0.000 0.442 224 L N 5.770 126.791 121.223 -0.336 0.000 2.312 224 L HA 0.509 4.944 4.340 -0.040 -0.119 0.281 224 L C -2.077 174.542 176.870 -0.419 0.000 1.070 224 L CA -0.444 54.279 54.840 -0.196 0.000 0.805 224 L CB 2.382 44.417 42.059 -0.039 0.000 1.174 224 L HN -0.029 8.011 8.230 -0.317 0.000 0.434 225 F N 6.596 126.610 119.950 0.106 0.000 2.588 225 F HA 0.405 4.945 4.527 0.021 0.000 0.314 225 F C -1.342 174.519 175.800 0.101 0.000 1.069 225 F CA -1.347 56.689 58.000 0.059 0.000 0.931 225 F CB 4.307 43.319 39.000 0.020 0.000 1.260 225 F HN 0.629 9.055 8.300 0.210 0.000 0.465 226 V N 1.387 121.489 119.914 0.315 0.000 2.357 226 V HA 0.202 4.578 4.120 0.223 -0.122 0.284 226 V C -0.892 175.300 176.094 0.163 0.000 1.018 226 V CA -0.708 61.731 62.300 0.232 0.000 0.841 226 V CB 1.202 33.159 31.823 0.222 0.000 0.991 226 V HN 0.336 8.714 8.190 0.313 0.000 0.437 227 D N 6.121 126.602 120.400 0.135 0.000 2.123 227 D HA -0.076 4.574 4.640 0.016 0.000 0.200 227 D C -0.624 175.677 176.300 0.002 0.000 0.976 227 D CA 3.201 57.227 54.000 0.043 0.000 0.831 227 D CB 1.335 42.128 40.800 -0.012 0.000 0.974 227 D HN 0.245 8.719 8.370 0.174 0.000 0.469 228 S N -7.700 108.019 115.700 0.032 0.000 2.558 228 S HA 0.139 4.600 4.470 -0.051 -0.021 0.277 228 S C -2.327 172.291 174.600 0.029 0.000 1.143 228 S CA -0.639 57.550 58.200 -0.019 0.000 0.865 228 S CB 1.316 64.469 63.200 -0.079 0.000 1.102 228 S HN -0.751 7.610 8.310 0.086 0.000 0.454 229 c N 2.034 120.637 118.600 0.005 0.000 2.507 229 c HA 0.671 5.477 4.570 0.101 -0.176 0.319 229 c C -1.141 172.988 174.090 0.064 0.000 1.208 229 c CA -1.085 55.287 56.329 0.072 0.000 1.619 229 c CB 3.323 45.902 42.510 0.116 0.000 2.230 229 c HN 0.236 8.345 8.230 -0.038 0.098 0.492 230 V N 2.867 122.853 119.914 0.121 0.000 2.623 230 V HA 0.401 4.760 4.120 0.141 -0.154 0.304 230 V C -2.023 174.230 176.094 0.266 0.000 1.054 230 V CA -1.199 61.193 62.300 0.153 0.000 0.882 230 V CB 4.444 36.317 31.823 0.083 0.000 1.002 230 V HN 0.026 8.300 8.190 0.139 0.000 0.424 231 A N 6.321 129.393 122.820 0.420 0.000 2.304 231 A HA 1.150 5.952 4.320 0.425 -0.228 0.301 231 A C -1.884 176.049 177.584 0.582 0.000 1.132 231 A CA -2.160 50.204 52.037 0.544 0.000 0.819 231 A CB 2.623 22.084 19.000 0.768 0.000 1.094 231 A HN 0.458 8.883 8.150 0.458 0.000 0.492 232 A N 0.160 123.235 122.820 0.426 0.000 2.515 232 A HA 0.611 4.957 4.320 -0.139 -0.110 0.299 232 A C -1.599 176.037 177.584 0.086 0.000 1.179 232 A CA -0.473 51.633 52.037 0.114 0.000 0.656 232 A CB 2.986 22.049 19.000 0.105 0.000 1.306 232 A HN 0.211 8.612 8.150 0.417 0.000 0.459 233 L N -1.876 119.304 121.223 -0.071 0.000 2.592 233 L HA 0.149 4.562 4.340 0.122 0.000 0.227 233 L C -0.350 176.686 176.870 0.276 0.000 1.127 233 L CA 0.250 55.132 54.840 0.069 0.000 0.884 233 L CB 0.343 42.361 42.059 -0.067 0.000 1.065 233 L HN 0.708 8.839 8.230 -0.165 0.000 0.457 234 S N -3.672 112.135 115.700 0.178 0.000 2.638 234 S HA 0.300 4.600 4.470 -0.285 0.000 0.274 234 S C -2.057 172.402 174.600 -0.235 0.000 1.157 234 S CA -2.802 55.335 58.200 -0.105 0.000 0.826 234 S CB 1.632 64.770 63.200 -0.103 0.000 1.139 234 S HN -0.756 7.575 8.310 0.119 0.050 0.474 235 P HA -0.045 4.251 4.420 -0.206 0.000 0.223 235 P C -1.012 176.231 177.300 -0.095 0.000 1.144 235 P CA 1.043 63.981 63.100 -0.271 0.000 0.783 235 P CB 0.254 31.780 31.700 -0.290 0.000 0.771 236 D N -1.627 118.721 120.400 -0.086 0.000 2.352 236 D HA -0.023 4.592 4.640 -0.042 0.000 0.245 236 D C 0.711 176.995 176.300 -0.026 0.000 1.224 236 D CA -0.965 53.006 54.000 -0.047 0.000 0.879 236 D CB 0.342 41.114 40.800 -0.047 0.000 1.057 236 D HN -0.787 7.479 8.370 -0.110 0.038 0.491 237 G N 3.631 112.417 108.800 -0.022 0.000 2.598 237 G HA2 -0.086 3.886 3.960 0.020 0.000 0.215 237 G HA3 -0.086 3.861 3.960 -0.022 0.000 0.215 237 G C 0.286 175.091 174.900 -0.159 0.000 1.131 237 G CA 0.747 45.828 45.100 -0.031 0.000 0.785 237 G HN 0.306 8.583 8.290 -0.021 0.000 0.539 238 D N -0.465 119.850 120.400 -0.142 0.000 2.319 238 D HA 0.176 4.617 4.640 -0.332 0.000 0.230 238 D C -0.184 176.055 176.300 -0.101 0.000 1.094 238 D CA 0.128 54.014 54.000 -0.190 0.000 0.856 238 D CB -0.092 40.642 40.800 -0.109 0.000 0.915 238 D HN -0.518 8.011 8.370 -0.092 -0.215 0.517 239 S N -0.612 115.065 115.700 -0.039 0.000 2.687 239 S HA 0.123 4.609 4.470 0.026 0.000 0.283 239 S C -0.890 173.794 174.600 0.140 0.000 1.170 239 S CA -0.831 57.387 58.200 0.030 0.000 1.008 239 S CB 2.389 65.590 63.200 0.001 0.000 1.026 239 S HN -0.642 7.562 8.310 -0.046 0.078 0.541 240 S N 1.386 117.142 115.700 0.094 0.000 2.489 240 S HA 0.397 4.951 4.470 0.139 0.000 0.291 240 S C -1.753 172.825 174.600 -0.037 0.000 1.151 240 S CA -2.232 56.013 58.200 0.075 0.000 1.082 240 S CB 0.570 63.804 63.200 0.056 0.000 1.019 240 S HN 0.186 8.530 8.310 0.055 0.000 0.492 241 P HA 0.259 4.649 4.420 -0.050 0.000 0.278 241 P C -2.284 174.937 177.300 -0.131 0.000 1.266 241 P CA -1.042 61.987 63.100 -0.118 0.000 0.807 241 P CB 0.976 32.629 31.700 -0.078 0.000 1.094 242 H N -6.074 113.060 119.070 0.108 0.000 3.017 242 H HA 0.431 5.306 4.556 0.280 -0.152 0.346 242 H C -2.529 173.089 175.328 0.483 0.000 1.286 242 H CA -1.437 54.770 56.048 0.265 0.000 1.120 242 H CB 2.640 32.479 29.762 0.129 0.000 1.860 242 H HN -0.279 7.904 8.280 -0.162 0.000 0.542 243 Y N 0.594 121.162 120.300 0.447 0.000 2.441 243 Y HA 0.083 4.677 4.550 0.073 0.000 0.334 243 Y C -2.869 173.116 175.900 0.142 0.000 1.061 243 Y CA 0.127 58.324 58.100 0.161 0.000 1.032 243 Y CB 3.385 41.784 38.460 -0.101 0.000 1.266 243 Y HN 0.095 8.804 8.280 0.715 0.000 0.441 244 A N 7.386 129.870 122.820 -0.560 0.000 2.310 244 A HA 0.126 4.456 4.320 -0.197 -0.128 0.300 244 A C -1.434 175.768 177.584 -0.636 0.000 1.269 244 A CA -0.685 51.090 52.037 -0.437 0.000 0.909 244 A CB 0.019 18.808 19.000 -0.351 0.000 1.144 244 A HN 0.232 7.980 8.150 -0.670 0.000 0.540 245 I N 3.396 123.820 120.570 -0.244 0.000 2.206 245 I HA -0.199 3.928 4.170 -0.072 0.000 0.239 245 I C -0.378 175.667 176.117 -0.120 0.000 1.078 245 I CA 2.455 63.708 61.300 -0.078 0.000 1.367 245 I CB 0.931 39.014 38.000 0.137 0.000 1.078 245 I HN -0.396 7.762 8.210 -0.086 0.000 0.413 246 I N -4.247 116.247 120.570 -0.127 0.000 2.474 246 I HA 0.341 4.612 4.170 -0.100 -0.161 0.294 246 I C -1.435 174.566 176.117 -0.193 0.000 1.005 246 I CA -1.024 60.200 61.300 -0.128 0.000 1.113 246 I CB 2.863 40.797 38.000 -0.110 0.000 1.289 246 I HN -0.937 7.215 8.210 -0.098 0.000 0.436 247 D N 5.025 125.266 120.400 -0.266 0.000 2.665 247 D HA 0.226 4.630 4.640 -0.393 0.000 0.287 247 D C -1.305 174.743 176.300 -0.420 0.000 1.266 247 D CA -1.171 52.512 54.000 -0.527 0.000 0.830 247 D CB 4.103 44.293 40.800 -1.017 0.000 1.356 247 D HN 0.276 8.534 8.370 -0.187 0.000 0.437 248 F N -4.480 115.416 119.950 -0.090 0.000 3.074 248 F HA -0.441 4.018 4.527 -0.114 0.000 0.287 248 F C -1.331 174.394 175.800 -0.126 0.000 0.932 248 F CA 0.484 58.413 58.000 -0.118 0.000 0.995 248 F CB -2.340 36.569 39.000 -0.151 0.000 0.966 248 F HN 0.451 8.457 8.300 -0.489 0.000 0.721 249 N N -4.255 114.444 118.700 -0.002 0.000 2.681 249 N HA -0.413 4.372 4.740 -0.060 -0.081 0.259 249 N C -0.032 175.442 175.510 -0.060 0.000 1.066 249 N CA 1.279 54.299 53.050 -0.050 0.000 0.717 249 N CB -1.589 36.852 38.487 -0.078 0.000 0.885 249 N HN -0.091 8.264 8.380 -0.041 0.000 0.547 250 G N -6.569 102.226 108.800 -0.009 0.000 2.179 250 G HA2 -0.473 3.738 3.960 0.093 0.000 0.220 250 G HA3 -0.473 3.671 3.960 -0.054 -0.216 0.220 250 G C -0.604 174.375 174.900 0.133 0.000 0.990 250 G CA 0.025 45.143 45.100 0.031 0.000 0.646 250 G HN -0.361 7.929 8.290 -0.000 0.000 0.517 251 c N 2.527 121.186 118.600 0.098 0.000 2.442 251 c HA 0.029 4.718 4.570 0.198 0.000 0.362 251 c C -0.187 174.058 174.090 0.258 0.000 1.242 251 c CA 0.845 57.264 56.329 0.150 0.000 1.741 251 c CB -1.758 40.754 42.510 0.003 0.000 2.378 251 c HN -0.085 8.178 8.230 0.055 0.000 0.549 252 L N 7.100 128.592 121.223 0.447 0.000 2.415 252 L HA 0.204 4.589 4.340 0.074 0.000 0.269 252 L C 0.534 177.581 176.870 0.294 0.000 1.244 252 L CA -0.512 54.467 54.840 0.231 0.000 1.113 252 L CB -0.517 41.573 42.059 0.051 0.000 1.352 252 L HN 0.322 8.922 8.230 0.618 0.000 0.433 253 V N 0.764 120.800 119.914 0.203 0.000 2.970 253 V HA -0.372 4.007 4.120 0.432 0.000 0.260 253 V C 1.231 177.388 176.094 0.105 0.000 1.100 253 V CA 2.548 64.982 62.300 0.223 0.000 1.122 253 V CB -0.105 31.769 31.823 0.086 0.000 0.721 253 V HN -0.155 8.091 8.190 0.093 0.000 0.483 254 D N 1.997 122.439 120.400 0.070 0.000 2.178 254 D HA -0.147 4.576 4.640 0.137 0.000 0.202 254 D C 1.729 178.084 176.300 0.093 0.000 0.974 254 D CA 2.892 56.957 54.000 0.109 0.000 0.841 254 D CB 0.154 41.048 40.800 0.157 0.000 0.953 254 D HN -0.475 7.888 8.370 0.052 0.039 0.478 255 G N -3.095 105.758 108.800 0.088 0.000 3.026 255 G HA2 -0.031 3.976 3.960 0.077 0.000 0.208 255 G HA3 -0.031 4.160 3.960 0.089 -0.177 0.208 255 G C -0.013 174.929 174.900 0.071 0.000 1.169 255 G CA 0.372 45.521 45.100 0.081 0.000 0.788 255 G HN -0.460 7.871 8.290 0.101 0.019 0.533 256 R N -0.013 120.474 120.500 -0.022 0.000 2.189 256 R HA 0.009 4.098 4.340 -0.417 0.000 0.203 256 R C -0.068 176.138 176.300 -0.156 0.000 1.012 256 R CA 0.054 55.992 56.100 -0.271 0.000 1.015 256 R CB 0.821 30.929 30.300 -0.320 0.000 0.938 256 R HN -0.632 7.559 8.270 0.009 0.084 0.472 257 V N -6.866 113.024 119.914 -0.039 0.000 3.166 257 V HA 0.397 4.495 4.120 -0.036 0.000 0.317 257 V C -0.911 175.187 176.094 0.007 0.000 1.136 257 V CA -2.030 60.259 62.300 -0.019 0.000 1.035 257 V CB 2.141 33.962 31.823 -0.003 0.000 1.110 257 V HN -0.831 7.356 8.190 -0.006 0.000 0.450 258 D N -0.193 120.207 120.400 0.001 0.000 3.254 258 D HA -0.305 4.333 4.640 -0.003 0.000 0.216 258 D C -1.229 175.078 176.300 0.011 0.000 1.556 258 D CA 2.220 56.220 54.000 -0.000 0.000 1.105 258 D CB -0.357 40.434 40.800 -0.015 0.000 0.682 258 D HN 0.381 8.750 8.370 -0.003 0.000 0.810 259 D N 2.113 122.517 120.400 0.008 0.000 2.772 259 D HA 0.163 4.815 4.640 0.020 0.000 0.272 259 D C -1.118 175.194 176.300 0.019 0.000 1.314 259 D CA -0.544 53.465 54.000 0.014 0.000 0.835 259 D CB -0.164 40.641 40.800 0.008 0.000 1.080 259 D HN 0.206 8.577 8.370 0.001 0.000 0.482 260 T N -3.560 111.010 114.554 0.027 0.000 2.882 260 T HA 0.174 4.714 4.350 0.032 -0.171 0.287 260 T C 0.416 175.142 174.700 0.043 0.000 1.014 260 T CA -1.052 61.070 62.100 0.037 0.000 1.049 260 T CB 1.446 70.343 68.868 0.047 0.000 1.001 260 T HN -0.745 7.457 8.240 0.028 0.054 0.525 261 S N 0.510 116.237 115.700 0.046 0.000 2.601 261 S HA 0.139 4.634 4.470 0.042 0.000 0.244 261 S C -0.205 174.435 174.600 0.066 0.000 1.001 261 S CA -1.035 57.194 58.200 0.048 0.000 0.984 261 S CB -0.140 63.085 63.200 0.041 0.000 0.842 261 S HN -0.071 8.425 8.310 0.047 -0.158 0.474 262 S N 2.061 117.805 115.700 0.074 0.000 2.516 262 S HA 0.084 4.799 4.470 0.096 -0.188 0.282 262 S C -1.213 173.432 174.600 0.075 0.000 1.286 262 S CA 1.416 59.667 58.200 0.085 0.000 1.066 262 S CB 0.456 63.713 63.200 0.095 0.000 0.884 262 S HN -0.506 7.780 8.310 0.071 0.067 0.491 263 A N 4.847 127.714 122.820 0.078 0.000 2.608 263 A HA 0.314 4.670 4.320 0.061 0.000 0.292 263 A C -2.509 175.132 177.584 0.094 0.000 1.066 263 A CA -0.310 51.779 52.037 0.086 0.000 0.676 263 A CB 2.993 22.074 19.000 0.135 0.000 1.277 263 A HN 0.061 8.272 8.150 0.102 0.000 0.413 264 F N -1.345 118.736 119.950 0.219 0.000 2.471 264 F HA 0.164 5.030 4.527 0.334 -0.139 0.353 264 F C 0.892 176.793 175.800 0.169 0.000 1.113 264 F CA 1.003 59.143 58.000 0.233 0.000 1.262 264 F CB 0.839 39.944 39.000 0.174 0.000 1.146 264 F HN -0.138 8.378 8.300 0.361 0.000 0.578 265 I N 3.888 124.649 120.570 0.319 0.000 2.428 265 I HA 0.079 4.347 4.170 0.163 0.000 0.289 265 I C -0.452 175.722 176.117 0.094 0.000 1.019 265 I CA -0.812 60.578 61.300 0.150 0.000 1.351 265 I CB -0.547 37.450 38.000 -0.005 0.000 1.412 265 I HN -0.051 8.363 8.210 0.340 0.000 0.513 266 T N 3.198 117.792 114.554 0.068 0.000 2.876 266 T HA 0.503 4.867 4.350 0.023 0.000 0.289 266 T C -2.043 172.663 174.700 0.011 0.000 1.014 266 T CA -3.144 58.979 62.100 0.038 0.000 0.986 266 T CB 1.659 70.561 68.868 0.057 0.000 1.021 266 T HN -0.133 8.153 8.240 0.076 0.000 0.458 267 P HA 0.284 4.701 4.420 -0.005 0.000 0.282 267 P C -0.804 176.466 177.300 -0.050 0.000 1.287 267 P CA -1.006 62.083 63.100 -0.018 0.000 0.792 267 P CB 1.527 33.216 31.700 -0.018 0.000 1.163 268 R N -1.164 119.304 120.500 -0.053 0.000 2.615 268 R HA 0.129 4.408 4.340 -0.102 0.000 0.270 268 R C -0.792 175.458 176.300 -0.083 0.000 1.081 268 R CA -0.863 55.188 56.100 -0.080 0.000 1.154 268 R CB -0.620 29.635 30.300 -0.076 0.000 1.063 268 R HN 0.230 8.474 8.270 -0.043 0.000 0.519 269 P HA -0.032 4.345 4.420 -0.071 0.000 0.217 269 P C -0.858 176.407 177.300 -0.059 0.000 1.154 269 P CA 0.799 63.851 63.100 -0.079 0.000 0.841 269 P CB 0.464 32.109 31.700 -0.092 0.000 0.788 270 R N -4.752 115.710 120.500 -0.063 0.000 2.836 270 R HA 0.235 4.545 4.340 -0.050 0.000 0.269 270 R C 0.123 176.381 176.300 -0.071 0.000 1.010 270 R CA -1.248 54.818 56.100 -0.056 0.000 0.930 270 R CB 2.925 33.196 30.300 -0.049 0.000 1.218 270 R HN -0.726 7.501 8.270 -0.071 0.000 0.473 271 E N 0.445 120.601 120.200 -0.073 0.000 2.347 271 E HA -0.259 4.024 4.350 -0.112 0.000 0.196 271 E C 0.037 176.560 176.600 -0.129 0.000 1.008 271 E CA 2.439 58.778 56.400 -0.102 0.000 0.852 271 E CB -0.004 29.645 29.700 -0.085 0.000 0.783 271 E HN 0.524 8.846 8.360 -0.062 0.000 0.505 272 D N -5.298 115.045 120.400 -0.095 0.000 2.358 272 D HA -0.025 4.550 4.640 -0.108 0.000 0.224 272 D C -1.638 174.622 176.300 -0.067 0.000 1.123 272 D CA -0.847 53.099 54.000 -0.090 0.000 0.833 272 D CB -1.194 39.560 40.800 -0.077 0.000 0.946 272 D HN 0.151 8.429 8.370 -0.078 0.045 0.505 273 V N -1.862 118.011 119.914 -0.068 0.000 2.709 273 V HA 0.464 4.731 4.120 -0.008 -0.153 0.308 273 V C -2.072 174.003 176.094 -0.032 0.000 1.062 273 V CA -1.502 60.776 62.300 -0.037 0.000 0.901 273 V CB 3.688 35.481 31.823 -0.050 0.000 1.003 273 V HN -0.754 7.304 8.190 -0.086 0.082 0.425 274 L N 6.689 127.938 121.223 0.043 0.000 2.439 274 L HA 0.524 4.907 4.340 0.071 0.000 0.270 274 L C -2.412 174.597 176.870 0.233 0.000 0.972 274 L CA -1.118 53.801 54.840 0.130 0.000 0.836 274 L CB 3.862 46.032 42.059 0.186 0.000 1.255 274 L HN 0.486 8.762 8.230 0.076 0.000 0.404 275 R N 4.491 125.080 120.500 0.149 0.000 2.668 275 R HA 0.821 5.311 4.340 -0.008 -0.155 0.279 275 R C -0.647 175.883 176.300 0.384 0.000 0.976 275 R CA -1.114 54.991 56.100 0.008 0.000 0.978 275 R CB 2.726 32.628 30.300 -0.664 0.000 1.133 275 R HN 0.248 8.578 8.270 0.099 0.000 0.484 276 F N -2.984 117.101 119.950 0.225 0.000 2.678 276 F HA 0.719 5.441 4.527 0.149 -0.105 0.308 276 F C -2.883 173.059 175.800 0.237 0.000 1.118 276 F CA -1.845 56.240 58.000 0.142 0.000 0.959 276 F CB 3.614 42.485 39.000 -0.215 0.000 1.305 276 F HN 0.573 8.816 8.300 -0.095 0.000 0.443 277 R N -1.432 119.247 120.500 0.297 0.000 2.445 277 R HA 0.918 5.499 4.340 0.080 -0.193 0.308 277 R C -1.594 174.797 176.300 0.152 0.000 0.961 277 R CA -1.781 54.417 56.100 0.163 0.000 0.862 277 R CB 3.108 33.501 30.300 0.155 0.000 1.144 277 R HN 0.429 8.877 8.270 0.297 0.000 0.447 278 I N 2.898 123.524 120.570 0.092 0.000 2.466 278 I HA 0.233 4.490 4.170 0.145 0.000 0.289 278 I C -1.707 174.443 176.117 0.056 0.000 1.026 278 I CA -3.048 58.323 61.300 0.119 0.000 1.078 278 I CB 2.487 40.588 38.000 0.169 0.000 1.249 278 I HN 0.474 8.699 8.210 0.025 0.000 0.429 279 D N 6.816 127.268 120.400 0.087 0.000 2.417 279 D HA 0.003 4.658 4.640 0.026 0.000 0.250 279 D C 0.437 176.781 176.300 0.072 0.000 1.166 279 D CA 0.770 54.807 54.000 0.060 0.000 0.881 279 D CB 0.061 40.900 40.800 0.065 0.000 1.164 279 D HN -0.350 8.085 8.370 0.108 0.000 0.467 280 V N 4.457 124.350 119.914 -0.036 0.000 2.901 280 V HA -0.214 3.719 4.120 -0.312 0.000 0.307 280 V C -0.281 175.781 176.094 -0.053 0.000 1.084 280 V CA 1.965 64.167 62.300 -0.164 0.000 1.184 280 V CB 0.418 32.137 31.823 -0.174 0.000 0.941 280 V HN -0.194 7.970 8.190 -0.042 0.000 0.493 281 F N 3.698 123.542 119.950 -0.176 0.000 2.715 281 F HA 0.612 5.027 4.527 -0.188 0.000 0.318 281 F C -2.067 173.597 175.800 -0.228 0.000 1.141 281 F CA -1.369 56.496 58.000 -0.225 0.000 0.950 281 F CB 2.169 40.961 39.000 -0.346 0.000 1.374 281 F HN -0.253 7.577 8.300 -0.784 0.000 0.477 282 R N -1.226 119.294 120.500 0.032 0.000 2.817 282 R HA 0.188 4.489 4.340 -0.066 0.000 0.268 282 R C -1.988 174.287 176.300 -0.042 0.000 1.027 282 R CA -1.554 54.533 56.100 -0.020 0.000 0.928 282 R CB 2.101 32.402 30.300 0.001 0.000 1.228 282 R HN -0.106 8.205 8.270 0.068 0.000 0.469 283 F N 0.104 120.118 119.950 0.107 0.000 2.404 283 F HA 0.094 4.667 4.527 0.076 0.000 0.345 283 F C 0.466 176.290 175.800 0.041 0.000 1.110 283 F CA -0.708 57.341 58.000 0.081 0.000 1.130 283 F CB 1.105 40.162 39.000 0.094 0.000 1.129 283 F HN 0.435 8.936 8.300 0.335 0.000 0.500 284 A N 4.739 127.663 122.820 0.173 0.000 2.511 284 A HA -0.123 4.241 4.320 0.075 0.000 0.242 284 A C 0.655 178.309 177.584 0.116 0.000 1.069 284 A CA 1.452 53.551 52.037 0.102 0.000 0.763 284 A CB -0.082 18.954 19.000 0.060 0.000 1.001 284 A HN 0.458 8.696 8.150 0.148 0.000 0.498 285 G N 2.993 111.840 108.800 0.079 0.000 2.199 285 G HA2 -0.339 3.648 3.960 0.046 0.000 0.254 285 G HA3 -0.339 3.656 3.960 0.060 0.000 0.254 285 G C -0.973 173.965 174.900 0.064 0.000 0.982 285 G CA -0.208 44.929 45.100 0.061 0.000 0.632 285 G HN 0.383 8.712 8.290 0.065 0.000 0.529 286 D N 1.606 122.061 120.400 0.093 0.000 2.347 286 D HA 0.082 4.762 4.640 0.066 0.000 0.235 286 D C -0.277 176.063 176.300 0.067 0.000 1.149 286 D CA -0.891 53.161 54.000 0.087 0.000 0.850 286 D CB 0.796 41.678 40.800 0.137 0.000 1.061 286 D HN -0.633 7.734 8.370 0.119 0.073 0.487 287 N N 4.844 123.571 118.700 0.045 0.000 2.398 287 N HA -0.024 4.735 4.740 0.033 0.000 0.188 287 N C 0.595 176.127 175.510 0.036 0.000 1.122 287 N CA 0.232 53.301 53.050 0.032 0.000 0.866 287 N CB 0.003 38.499 38.487 0.015 0.000 0.970 287 N HN 0.314 8.718 8.380 0.039 0.000 0.462 288 R N -0.970 119.558 120.500 0.047 0.000 2.173 288 R HA -0.021 4.349 4.340 0.049 0.000 0.208 288 R C -0.321 176.009 176.300 0.049 0.000 1.035 288 R CA 0.511 56.641 56.100 0.050 0.000 1.004 288 R CB 0.248 30.582 30.300 0.056 0.000 0.917 288 R HN -0.770 7.716 8.270 0.052 -0.184 0.462 289 N N -2.986 115.746 118.700 0.054 0.000 2.746 289 N HA -0.309 4.465 4.740 0.056 0.000 0.250 289 N C -1.426 174.098 175.510 0.024 0.000 1.055 289 N CA 1.137 54.214 53.050 0.045 0.000 0.699 289 N CB -1.877 36.630 38.487 0.035 0.000 0.919 289 N HN -0.211 8.334 8.380 0.064 -0.126 0.548 290 L N -5.203 116.033 121.223 0.022 0.000 2.359 290 L HA 0.490 4.790 4.340 -0.067 0.000 0.256 290 L C -2.054 174.787 176.870 -0.048 0.000 1.026 290 L CA -0.827 53.981 54.840 -0.052 0.000 0.828 290 L CB 2.433 44.437 42.059 -0.092 0.000 1.406 290 L HN -1.026 7.404 8.230 0.053 -0.169 0.413 291 I N -5.815 114.652 120.570 -0.171 0.000 2.802 291 I HA 0.557 4.895 4.170 0.067 -0.128 0.298 291 I C -1.866 174.095 176.117 -0.261 0.000 1.176 291 I CA -2.201 59.052 61.300 -0.079 0.000 1.025 291 I CB 3.569 41.545 38.000 -0.040 0.000 1.243 291 I HN -0.339 7.726 8.210 -0.243 0.000 0.424 292 Y N 3.738 124.115 120.300 0.128 0.000 2.446 292 Y HA 0.261 4.882 4.550 0.118 0.000 0.338 292 Y C -1.386 174.601 175.900 0.146 0.000 1.055 292 Y CA -1.474 56.699 58.100 0.121 0.000 1.101 292 Y CB 4.137 42.657 38.460 0.100 0.000 1.221 292 Y HN 0.320 8.771 8.280 0.285 0.000 0.460 293 I N 1.243 121.991 120.570 0.297 0.000 2.439 293 I HA 0.321 4.818 4.170 0.262 -0.169 0.285 293 I C -0.980 175.265 176.117 0.214 0.000 1.021 293 I CA -0.645 60.800 61.300 0.242 0.000 1.091 293 I CB 2.408 40.524 38.000 0.193 0.000 1.242 293 I HN 0.276 8.670 8.210 0.307 0.000 0.439 294 T N 8.055 122.718 114.554 0.182 0.000 2.756 294 T HA 0.335 4.765 4.350 0.133 0.000 0.290 294 T C -1.034 173.741 174.700 0.125 0.000 0.985 294 T CA -1.475 60.705 62.100 0.133 0.000 0.955 294 T CB 0.754 69.677 68.868 0.092 0.000 0.930 294 T HN 0.237 8.588 8.240 0.185 0.000 0.451 295 c N 7.440 126.115 118.600 0.124 0.000 2.397 295 c HA 0.750 5.599 4.570 0.129 -0.202 0.343 295 c C -0.626 173.515 174.090 0.084 0.000 1.188 295 c CA -1.498 54.908 56.329 0.128 0.000 1.992 295 c CB 2.252 44.869 42.510 0.179 0.000 2.358 295 c HN 0.785 9.088 8.230 0.122 0.000 0.518 296 H N 3.704 122.778 119.070 0.007 0.000 2.623 296 H HA 0.298 4.809 4.556 -0.075 0.000 0.299 296 H C -1.509 173.795 175.328 -0.041 0.000 1.052 296 H CA -0.623 55.399 56.048 -0.044 0.000 1.231 296 H CB 0.737 30.471 29.762 -0.047 0.000 1.389 296 H HN 0.478 8.871 8.280 0.188 0.000 0.469 297 L N 4.135 125.253 121.223 -0.175 0.000 2.358 297 L HA 0.746 5.292 4.340 0.104 -0.144 0.268 297 L C -0.683 176.086 176.870 -0.169 0.000 1.032 297 L CA -1.427 53.369 54.840 -0.074 0.000 0.805 297 L CB 2.015 44.055 42.059 -0.032 0.000 1.253 297 L HN 0.391 8.381 8.230 -0.400 0.000 0.452 298 K N -1.966 118.493 120.400 0.099 0.000 2.607 298 K HA 0.406 4.772 4.320 0.076 0.000 0.287 298 K C -2.738 174.057 176.600 0.325 0.000 0.996 298 K CA -0.874 55.516 56.287 0.172 0.000 0.876 298 K CB 3.556 36.172 32.500 0.193 0.000 1.496 298 K HN 0.346 8.723 8.250 0.213 0.000 0.415 299 V N -4.085 116.016 119.914 0.311 0.000 2.962 299 V HA 0.952 5.374 4.120 0.234 -0.161 0.313 299 V C -1.217 175.005 176.094 0.213 0.000 1.099 299 V CA -2.631 59.819 62.300 0.250 0.000 0.971 299 V CB 4.083 36.025 31.823 0.199 0.000 1.028 299 V HN 0.254 8.614 8.190 0.284 0.000 0.430 300 T N -1.340 113.329 114.554 0.191 0.000 2.901 300 T HA 0.544 4.977 4.350 0.139 0.000 0.293 300 T C -2.493 172.268 174.700 0.101 0.000 1.084 300 T CA -3.874 58.323 62.100 0.161 0.000 1.008 300 T CB 1.340 70.338 68.868 0.218 0.000 1.170 300 T HN 0.318 8.657 8.240 0.166 0.000 0.509 301 P HA -0.223 4.222 4.420 0.043 0.000 0.263 301 P C 0.216 177.540 177.300 0.041 0.000 1.175 301 P CA 0.604 63.734 63.100 0.051 0.000 0.761 301 P CB 0.007 31.734 31.700 0.046 0.000 0.794 302 A N 2.382 125.212 122.820 0.016 0.000 2.178 302 A HA -0.364 3.946 4.320 -0.016 0.000 0.218 302 A C -1.328 176.260 177.584 0.006 0.000 1.157 302 A CA 2.352 54.388 52.037 -0.003 0.000 0.689 302 A CB 0.121 19.112 19.000 -0.015 0.000 0.787 302 A HN -0.166 7.991 8.150 0.012 0.000 0.465 303 D N -7.762 112.650 120.400 0.020 0.000 2.540 303 D HA 0.015 4.666 4.640 0.018 0.000 0.229 303 D C -0.468 175.852 176.300 0.033 0.000 1.250 303 D CA -1.283 52.730 54.000 0.021 0.000 0.817 303 D CB -0.507 40.300 40.800 0.012 0.000 1.060 303 D HN -0.535 7.778 8.370 0.024 0.071 0.508 304 Q N 1.202 121.032 119.800 0.050 0.000 2.314 304 Q HA 0.009 4.373 4.340 0.041 0.000 0.258 304 Q C 0.506 176.546 176.000 0.067 0.000 0.954 304 Q CA 0.348 56.184 55.803 0.056 0.000 0.890 304 Q CB 0.953 29.733 28.738 0.069 0.000 1.210 304 Q HN -0.730 7.574 8.270 0.057 0.000 0.410 305 G N 4.751 113.577 108.800 0.044 0.000 2.272 305 G HA2 -0.012 3.974 3.960 0.042 0.000 0.247 305 G HA3 -0.012 3.962 3.960 0.022 0.000 0.247 305 G C -1.454 173.468 174.900 0.037 0.000 1.272 305 G CA -1.095 44.028 45.100 0.037 0.000 0.921 305 G HN 0.205 8.514 8.290 0.033 0.000 0.495 306 P HA -0.016 4.480 4.420 -0.032 -0.095 0.268 306 P C -1.610 175.653 177.300 -0.062 0.000 1.208 306 P CA -0.137 62.958 63.100 -0.009 0.000 0.777 306 P CB 0.817 32.533 31.700 0.028 0.000 0.875 307 D N -0.837 119.486 120.400 -0.129 0.000 2.664 307 D HA 0.235 4.824 4.640 -0.084 0.000 0.292 307 D C -1.397 174.814 176.300 -0.149 0.000 1.214 307 D CA -2.466 51.468 54.000 -0.110 0.000 0.932 307 D CB -1.253 39.497 40.800 -0.083 0.000 1.420 307 D HN -0.394 7.857 8.370 -0.197 0.000 0.471 308 P HA -0.071 4.265 4.420 -0.139 0.000 0.229 308 P C -0.602 176.613 177.300 -0.142 0.000 1.150 308 P CA 1.534 64.556 63.100 -0.131 0.000 0.765 308 P CB 0.175 31.810 31.700 -0.108 0.000 0.783 309 Q N -5.981 113.728 119.800 -0.152 0.000 2.402 309 Q HA 0.112 4.375 4.340 -0.128 0.000 0.231 309 Q C -0.821 175.045 176.000 -0.223 0.000 0.888 309 Q CA 0.009 55.724 55.803 -0.147 0.000 0.938 309 Q CB 2.010 30.685 28.738 -0.106 0.000 1.086 309 Q HN -0.485 7.814 8.270 -0.150 -0.119 0.543 310 N N 0.023 118.522 118.700 -0.335 0.000 2.664 310 N HA 0.277 4.617 4.740 -0.667 0.000 0.257 310 N C -2.136 172.722 175.510 -1.086 0.000 1.108 310 N CA -0.458 52.191 53.050 -0.668 0.000 0.822 310 N CB 2.120 40.322 38.487 -0.476 0.000 1.199 310 N HN -0.070 8.231 8.380 -0.295 -0.097 0.529 311 K N -0.686 119.076 120.400 -1.063 0.000 2.578 311 K HA 0.293 4.235 4.320 -0.629 0.000 0.287 311 K C -2.942 173.466 176.600 -0.319 0.000 1.010 311 K CA -0.836 55.073 56.287 -0.629 0.000 0.889 311 K CB 3.301 35.623 32.500 -0.297 0.000 1.514 311 K HN -0.160 7.567 8.250 -0.873 0.000 0.424 312 A N 0.382 123.102 122.820 -0.168 0.000 2.545 312 A HA 0.551 4.654 4.320 -0.581 -0.132 0.300 312 A C -2.028 175.369 177.584 -0.311 0.000 1.252 312 A CA -1.034 50.703 52.037 -0.500 0.000 0.753 312 A CB 0.888 19.437 19.000 -0.751 0.000 1.144 312 A HN 0.350 8.446 8.150 -0.089 0.000 0.457 313 c N 2.956 121.556 118.600 -0.001 0.000 2.382 313 c HA 0.490 5.358 4.570 0.248 -0.149 0.327 313 c C -0.774 173.708 174.090 0.654 0.000 1.250 313 c CA -1.525 54.986 56.329 0.302 0.000 1.707 313 c CB 2.098 44.761 42.510 0.256 0.000 2.272 313 c HN 0.432 8.692 8.230 0.050 0.000 0.506 314 S N 1.985 118.046 115.700 0.602 0.000 2.532 314 S HA 0.360 5.157 4.470 0.544 0.000 0.301 314 S C -1.761 173.026 174.600 0.311 0.000 1.083 314 S CA -1.148 57.353 58.200 0.502 0.000 1.025 314 S CB 2.692 66.110 63.200 0.363 0.000 1.056 314 S HN 0.176 8.771 8.310 0.476 0.000 0.494 315 F N 3.485 123.307 119.950 -0.213 0.000 2.404 315 F HA 0.320 4.542 4.527 -0.749 -0.144 0.339 315 F C -0.945 174.670 175.800 -0.308 0.000 1.105 315 F CA -0.513 57.093 58.000 -0.658 0.000 1.087 315 F CB 2.465 40.743 39.000 -1.204 0.000 1.143 315 F HN 0.538 8.903 8.300 0.108 0.000 0.491 316 N N 6.149 124.266 118.700 -0.971 0.000 2.443 316 N HA 0.223 4.745 4.740 -0.364 0.000 0.269 316 N C -0.183 174.813 175.510 -0.856 0.000 0.985 316 N CA -1.483 51.185 53.050 -0.637 0.000 0.921 316 N CB 1.811 40.067 38.487 -0.386 0.000 1.195 316 N HN 0.405 7.964 8.380 -1.368 0.000 0.492 317 K N 6.375 126.546 120.400 -0.380 0.000 2.103 317 K HA -0.224 4.010 4.320 -0.143 0.000 0.204 317 K C 1.755 178.261 176.600 -0.157 0.000 1.052 317 K CA 3.163 59.349 56.287 -0.169 0.000 0.945 317 K CB -0.152 32.359 32.500 0.017 0.000 0.722 317 K HN 0.634 8.754 8.250 -0.217 0.000 0.443 318 A N -0.270 122.463 122.820 -0.145 0.000 1.917 318 A HA -0.226 4.053 4.320 -0.067 0.000 0.219 318 A C 0.995 178.512 177.584 -0.113 0.000 1.182 318 A CA 2.778 54.755 52.037 -0.100 0.000 0.633 318 A CB -0.681 18.270 19.000 -0.082 0.000 0.819 318 A HN 0.088 8.360 8.150 -0.146 -0.211 0.448 319 R N -5.009 115.384 120.500 -0.179 0.000 2.397 319 R HA 0.116 4.395 4.340 -0.102 0.000 0.241 319 R C -0.896 175.288 176.300 -0.194 0.000 0.914 319 R CA -1.116 54.892 56.100 -0.154 0.000 1.071 319 R CB 0.424 30.640 30.300 -0.139 0.000 1.116 319 R HN -0.235 8.020 8.270 -0.240 -0.130 0.524 320 N N -1.303 117.220 118.700 -0.294 0.000 2.721 320 N HA -0.271 4.339 4.740 -0.260 -0.026 0.249 320 N C -1.445 173.880 175.510 -0.309 0.000 1.072 320 N CA 1.232 54.139 53.050 -0.239 0.000 0.710 320 N CB -1.227 37.262 38.487 0.004 0.000 0.993 320 N HN -0.521 7.527 8.380 -0.328 0.135 0.547 321 T N -6.892 107.263 114.554 -0.665 0.000 2.896 321 T HA 0.363 4.691 4.350 -0.037 0.000 0.297 321 T C -1.223 173.214 174.700 -0.439 0.000 1.108 321 T CA -2.167 59.744 62.100 -0.314 0.000 1.004 321 T CB 3.185 71.995 68.868 -0.097 0.000 1.159 321 T HN -0.564 7.155 8.240 -0.856 0.008 0.499 322 W N 1.091 122.443 121.300 0.087 0.000 2.316 322 W HA 0.450 5.404 4.660 0.193 -0.178 0.321 322 W C 0.092 176.650 176.519 0.063 0.000 1.203 322 W CA -0.318 57.120 57.345 0.156 0.000 1.214 322 W CB 1.487 31.077 29.460 0.217 0.000 1.169 322 W HN 0.104 8.558 8.180 0.456 0.000 0.561 323 V N 3.222 123.319 119.914 0.305 0.000 2.569 323 V HA 0.427 4.644 4.120 0.162 0.000 0.301 323 V C -2.479 173.730 176.094 0.191 0.000 1.044 323 V CA -3.251 59.158 62.300 0.182 0.000 0.874 323 V CB 3.042 34.920 31.823 0.092 0.000 1.002 323 V HN 0.671 9.076 8.190 0.358 0.000 0.424 324 P HA 0.282 4.939 4.420 0.093 -0.181 0.276 324 P C -0.487 176.857 177.300 0.074 0.000 1.244 324 P CA -1.054 62.101 63.100 0.091 0.000 0.801 324 P CB 0.821 32.555 31.700 0.057 0.000 1.006 325 V N -0.328 119.610 119.914 0.040 0.000 2.453 325 V HA -0.285 3.871 4.120 0.059 0.000 0.247 325 V C -0.372 175.744 176.094 0.036 0.000 1.048 325 V CA 2.668 64.991 62.300 0.037 0.000 1.049 325 V CB 0.311 32.130 31.823 -0.007 0.000 0.672 325 V HN 0.159 8.351 8.190 0.004 0.000 0.457 326 E N -3.840 116.388 120.200 0.046 0.000 2.390 326 E HA 0.152 4.525 4.350 0.039 0.000 0.277 326 E C -1.248 175.384 176.600 0.053 0.000 0.939 326 E CA -1.109 55.320 56.400 0.048 0.000 0.769 326 E CB 3.289 33.018 29.700 0.048 0.000 1.251 326 E HN -0.479 7.913 8.360 0.055 0.000 0.450 327 G N 1.472 110.296 108.800 0.041 0.000 2.462 327 G HA2 -0.132 3.846 3.960 0.030 0.000 0.685 327 G HA3 -0.132 3.846 3.960 0.029 0.000 0.685 327 G C -1.204 173.711 174.900 0.025 0.000 1.295 327 G CA -0.630 44.489 45.100 0.031 0.000 0.941 327 G HN 0.116 8.427 8.290 0.036 0.000 0.554 328 S N -0.290 115.420 115.700 0.016 0.000 2.565 328 S HA 0.131 4.613 4.470 0.019 0.000 0.276 328 S C 1.456 176.069 174.600 0.023 0.000 1.326 328 S CA -0.923 57.286 58.200 0.016 0.000 1.045 328 S CB 1.527 64.732 63.200 0.008 0.000 0.918 328 S HN 0.223 8.539 8.310 0.011 0.000 0.505 329 R N 4.564 125.082 120.500 0.031 0.000 2.139 329 R HA -0.360 4.016 4.340 0.059 0.000 0.243 329 R C 0.622 176.951 176.300 0.048 0.000 1.145 329 R CA 2.749 58.878 56.100 0.048 0.000 0.976 329 R CB -0.533 29.795 30.300 0.047 0.000 0.866 329 R HN 0.741 9.028 8.270 0.028 0.000 0.449 330 D N -4.801 115.615 120.400 0.027 0.000 2.363 330 D HA -0.111 4.701 4.640 0.027 -0.156 0.220 330 D C 1.871 178.166 176.300 -0.009 0.000 0.994 330 D CA 1.477 55.486 54.000 0.015 0.000 0.890 330 D CB -1.153 39.651 40.800 0.007 0.000 0.906 330 D HN 0.182 8.528 8.370 0.020 0.036 0.530 331 V N -0.624 119.283 119.914 -0.013 0.000 2.759 331 V HA -0.322 3.766 4.120 -0.053 0.000 0.256 331 V C 0.177 176.228 176.094 -0.072 0.000 1.080 331 V CA 2.509 64.783 62.300 -0.044 0.000 1.101 331 V CB 0.205 32.002 31.823 -0.044 0.000 0.698 331 V HN -0.575 7.553 8.190 -0.000 0.062 0.477 332 c N -3.463 115.110 118.600 -0.045 0.000 2.626 332 c HA 0.108 4.580 4.570 -0.163 0.000 0.266 332 c C 1.634 175.601 174.090 -0.205 0.000 1.317 332 c CA -0.538 55.728 56.329 -0.106 0.000 1.716 332 c CB -2.534 40.014 42.510 0.063 0.000 1.819 332 c HN -0.549 7.642 8.230 -0.001 0.039 0.578 333 N N 2.273 120.903 118.700 -0.116 0.000 2.149 333 N HA -0.191 4.513 4.740 -0.059 0.000 0.188 333 N C 1.569 176.960 175.510 -0.198 0.000 1.019 333 N CA 2.879 55.865 53.050 -0.106 0.000 0.857 333 N CB -0.749 37.706 38.487 -0.054 0.000 0.997 333 N HN -0.259 8.008 8.380 -0.079 0.066 0.426 334 c N -5.169 113.297 118.600 -0.224 0.000 2.472 334 c HA 0.211 4.643 4.570 -0.229 0.000 0.278 334 c C 1.918 175.770 174.090 -0.398 0.000 1.447 334 c CA -0.402 55.770 56.329 -0.261 0.000 1.773 334 c CB -2.515 39.867 42.510 -0.214 0.000 1.793 334 c HN 0.034 8.133 8.230 -0.199 0.011 0.544 335 c N 2.061 120.338 118.600 -0.538 0.000 2.432 335 c HA -0.241 3.971 4.570 -0.596 0.000 0.277 335 c C 2.131 175.835 174.090 -0.643 0.000 1.249 335 c CA 4.137 59.991 56.329 -0.792 0.000 1.725 335 c CB -1.802 39.730 42.510 -1.630 0.000 2.028 335 c HN -0.020 7.731 8.230 -0.536 0.158 0.477 336 E N -0.372 119.545 120.200 -0.471 0.000 2.150 336 E HA -0.196 4.210 4.350 0.094 0.000 0.193 336 E C 1.615 178.135 176.600 -0.133 0.000 0.985 336 E CA 2.326 58.684 56.400 -0.070 0.000 0.814 336 E CB -0.353 29.427 29.700 0.134 0.000 0.752 336 E HN -0.373 7.681 8.360 -0.509 0.000 0.466 337 T N -5.540 108.882 114.554 -0.221 0.000 3.023 337 T HA -0.055 4.204 4.350 -0.151 0.000 0.266 337 T C 1.650 176.146 174.700 -0.339 0.000 1.093 337 T CA 0.419 62.389 62.100 -0.217 0.000 1.129 337 T CB 0.805 69.555 68.868 -0.195 0.000 0.899 337 T HN -0.580 7.492 8.240 -0.254 0.016 0.491 338 G N 1.964 110.413 108.800 -0.586 0.000 2.143 338 G HA2 -0.408 2.508 3.960 -1.740 0.000 0.249 338 G HA3 -0.408 3.090 3.960 -0.771 0.000 0.249 338 G C -1.513 172.651 174.900 -1.227 0.000 0.981 338 G CA -0.003 44.420 45.100 -1.127 0.000 0.665 338 G HN -0.269 7.538 8.290 -0.586 0.131 0.528 339 N N -0.903 117.373 118.700 -0.707 0.000 2.533 339 N HA 0.141 4.638 4.740 -0.405 0.000 0.289 339 N C -2.314 173.026 175.510 -0.283 0.000 1.103 339 N CA -0.152 52.651 53.050 -0.412 0.000 0.877 339 N CB 1.649 39.994 38.487 -0.237 0.000 1.419 339 N HN -0.695 7.298 8.380 -0.571 0.044 0.517 340 c N 3.398 121.884 118.600 -0.190 0.000 2.638 340 c HA 0.195 4.674 4.570 -0.151 0.000 0.282 340 c C -0.780 173.259 174.090 -0.084 0.000 1.473 340 c CA -1.912 54.339 56.329 -0.131 0.000 1.781 340 c CB -1.318 41.129 42.510 -0.106 0.000 2.780 340 c HN 0.516 8.665 8.230 -0.136 0.000 0.531 341 E N 2.376 122.530 120.200 -0.077 0.000 2.404 341 E HA 0.073 4.393 4.350 -0.050 0.000 0.261 341 E C -0.836 175.727 176.600 -0.062 0.000 1.074 341 E CA -1.143 55.222 56.400 -0.058 0.000 0.917 341 E CB -0.099 29.571 29.700 -0.050 0.000 0.965 341 E HN -0.105 8.544 8.360 -0.089 -0.343 0.433 342 P HA 0.108 4.495 4.420 -0.055 0.000 0.220 342 P C -1.740 175.534 177.300 -0.044 0.000 1.152 342 P CA 0.508 63.578 63.100 -0.050 0.000 0.812 342 P CB -0.566 31.108 31.700 -0.044 0.000 0.792 343 P HA 0.000 4.401 4.420 -0.031 0.000 0.216 343 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 343 P CB 0.000 31.677 31.700 -0.038 0.000 0.726