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 1xmm_1_B DATA FIRST_RESID 40 DATA SEQUENCE VRLPFSGFRL QKVLRESARD KIIFLHGKVN XXXXXXXXXD AVVILEKTPF DATA SEQUENCE QVEQVAQLLT GSPELQLQFS NDIYSTYHLF PPRQLNDVKT TVVYPATEKH DATA SEQUENCE LQKYLRQDLR LIRETGDDYR NITLPHLESQ SLSIQWVYNI LDKKAEADRI DATA SEQUENCE VFENPDPSDG FVLIPDLKWN QQQLDDLYLI AICHRRGIRS LRDLTPEHLP DATA SEQUENCE LLRNILHQGQ EAILQRYRMK GDHLRVYLHY LPSYYHLHVH FTALGFEAPG DATA SEQUENCE SGVERAHLLA EVIENLECDP RHYQQRTLTF ALRADDPLLK LLQEAQQ 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 40 V HA 0.000 nan 4.120 nan 0.000 0.244 40 V C 0.000 176.050 176.094 -0.073 0.000 1.182 40 V CA 0.000 62.266 62.300 -0.056 0.000 1.235 40 V CB 0.000 31.797 31.823 -0.044 0.000 1.184 41 R N 0.390 120.834 120.500 -0.094 0.000 2.663 41 R HA 0.698 5.037 4.340 -0.001 0.000 0.267 41 R C -1.282 174.903 176.300 -0.192 0.000 1.038 41 R CA -0.884 55.139 56.100 -0.127 0.000 0.886 41 R CB 1.752 31.990 30.300 -0.104 0.000 1.249 41 R HN 0.235 nan 8.270 nan 0.000 0.463 42 L N 3.421 124.471 121.223 -0.289 0.000 2.483 42 L HA 0.171 4.510 4.340 -0.001 0.000 0.275 42 L C -1.164 175.418 176.870 -0.480 0.000 1.220 42 L CA -1.208 53.326 54.840 -0.510 0.000 0.833 42 L CB 0.307 41.858 42.059 -0.847 0.000 1.102 42 L HN 0.662 nan 8.230 nan 0.000 0.490 43 P HA 0.011 nan 4.420 nan 0.000 0.247 43 P C -0.684 176.472 177.300 -0.241 0.000 1.225 43 P CA 0.538 63.495 63.100 -0.238 0.000 0.768 43 P CB -0.083 31.598 31.700 -0.032 0.000 1.020 44 F N -3.050 116.775 119.950 -0.209 0.000 2.662 44 F HA 0.697 5.223 4.527 -0.001 0.000 0.312 44 F C -0.576 175.156 175.800 -0.114 0.000 1.113 44 F CA -1.993 55.858 58.000 -0.249 0.000 0.951 44 F CB 0.634 39.356 39.000 -0.462 0.000 1.344 44 F HN -0.363 nan 8.300 nan 0.000 0.462 45 S N 1.010 116.843 115.700 0.222 0.000 2.442 45 S HA 0.678 5.148 4.470 -0.001 0.000 0.297 45 S C -0.061 174.670 174.600 0.217 0.000 1.131 45 S CA 0.369 58.661 58.200 0.154 0.000 1.092 45 S CB 0.135 63.381 63.200 0.077 0.000 0.998 45 S HN 2.254 nan 8.310 nan 0.000 0.478 46 G N 3.015 111.942 108.800 0.213 0.000 2.785 46 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.685 46 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.685 46 G C -0.933 174.156 174.900 0.314 0.000 1.480 46 G CA -0.133 45.088 45.100 0.201 0.000 0.915 46 G HN 1.437 nan 8.290 nan 0.000 0.576 47 F N 1.721 121.710 119.950 0.066 0.000 2.915 47 F HA 0.614 5.140 4.527 -0.001 0.000 0.350 47 F C -0.040 175.753 175.800 -0.012 0.000 1.248 47 F CA -0.848 57.168 58.000 0.026 0.000 1.084 47 F CB 1.236 40.315 39.000 0.131 0.000 1.391 47 F HN 0.734 nan 8.300 nan 0.000 0.548 48 R N 6.445 126.672 120.500 -0.455 0.000 2.229 48 R HA 0.556 4.896 4.340 -0.001 0.000 0.328 48 R C -1.362 174.555 176.300 -0.639 0.000 1.009 48 R CA -0.802 55.069 56.100 -0.381 0.000 0.864 48 R CB 1.132 31.285 30.300 -0.245 0.000 1.085 48 R HN 0.752 nan 8.270 nan 0.000 0.453 49 L N 4.171 125.143 121.223 -0.418 0.000 2.477 49 L HA 0.054 4.394 4.340 -0.001 0.000 0.272 49 L C 0.842 177.549 176.870 -0.272 0.000 1.157 49 L CA 0.815 55.461 54.840 -0.323 0.000 0.889 49 L CB 1.084 43.116 42.059 -0.045 0.000 1.158 49 L HN 0.875 nan 8.230 nan 0.000 0.473 50 Q N 3.370 122.958 119.800 -0.353 0.000 2.324 50 Q HA 0.156 4.496 4.340 -0.001 0.000 0.207 50 Q C -0.264 175.630 176.000 -0.177 0.000 0.928 50 Q CA 0.500 56.112 55.803 -0.318 0.000 0.890 50 Q CB 0.474 28.871 28.738 -0.569 0.000 1.001 50 Q HN 0.656 nan 8.270 nan 0.000 0.517 51 K N -0.696 119.635 120.400 -0.115 0.000 2.583 51 K HA 0.263 4.582 4.320 -0.001 0.000 0.260 51 K C -1.884 174.769 176.600 0.089 0.000 0.931 51 K CA -0.439 55.858 56.287 0.016 0.000 0.849 51 K CB 1.982 34.528 32.500 0.077 0.000 1.347 51 K HN -0.089 nan 8.250 nan 0.000 0.425 52 V N 6.952 126.920 119.914 0.091 0.000 2.387 52 V HA 0.093 4.212 4.120 -0.001 0.000 0.260 52 V C 1.329 177.501 176.094 0.130 0.000 1.054 52 V CA -0.014 62.359 62.300 0.121 0.000 0.967 52 V CB 0.394 32.276 31.823 0.098 0.000 1.036 52 V HN 0.758 nan 8.190 nan 0.000 0.481 53 L N 4.085 125.410 121.223 0.171 0.000 2.056 53 L HA 0.072 4.412 4.340 -0.001 0.000 0.207 53 L C 1.211 178.138 176.870 0.095 0.000 1.078 53 L CA 1.286 56.218 54.840 0.152 0.000 0.749 53 L CB -0.143 42.039 42.059 0.204 0.000 0.901 53 L HN 0.714 nan 8.230 nan 0.000 0.433 54 R N 0.090 120.661 120.500 0.118 0.000 2.725 54 R HA 0.285 4.625 4.340 -0.001 0.000 0.254 54 R C -1.839 174.572 176.300 0.186 0.000 1.076 54 R CA -0.624 55.518 56.100 0.069 0.000 0.940 54 R CB 1.400 31.628 30.300 -0.120 0.000 1.260 54 R HN 0.053 nan 8.270 nan 0.000 0.466 55 E N 1.494 121.776 120.200 0.136 0.000 2.367 55 E HA 0.530 4.880 4.350 -0.001 0.000 0.273 55 E C -1.682 174.984 176.600 0.110 0.000 0.903 55 E CA -0.834 55.657 56.400 0.153 0.000 0.764 55 E CB 2.442 32.207 29.700 0.109 0.000 1.252 55 E HN 0.381 nan 8.360 nan 0.000 0.446 56 S N 1.154 116.922 115.700 0.112 0.000 2.789 56 S HA 0.570 5.039 4.470 -0.001 0.000 0.286 56 S C 0.241 174.875 174.600 0.056 0.000 1.153 56 S CA -0.054 58.192 58.200 0.076 0.000 1.084 56 S CB 0.627 63.879 63.200 0.086 0.000 1.036 56 S HN 0.852 nan 8.310 nan 0.000 0.484 57 A N 4.553 127.398 122.820 0.041 0.000 2.019 57 A HA -0.031 4.289 4.320 -0.001 0.000 0.219 57 A C 2.047 179.646 177.584 0.024 0.000 1.164 57 A CA 1.557 53.612 52.037 0.031 0.000 0.644 57 A CB -0.455 18.561 19.000 0.027 0.000 0.805 57 A HN 0.751 nan 8.150 nan 0.000 0.449 58 R N 0.569 121.082 120.500 0.022 0.000 2.073 58 R HA -0.141 4.199 4.340 -0.001 0.000 0.234 58 R C 1.289 177.601 176.300 0.020 0.000 1.134 58 R CA 2.179 58.288 56.100 0.015 0.000 0.952 58 R CB -0.758 29.545 30.300 0.006 0.000 0.850 58 R HN 0.432 nan 8.270 nan 0.000 0.433 59 D N 0.023 120.441 120.400 0.030 0.000 2.339 59 D HA 0.019 4.659 4.640 -0.001 0.000 0.217 59 D C -0.471 175.840 176.300 0.018 0.000 1.050 59 D CA 0.155 54.174 54.000 0.032 0.000 0.856 59 D CB 0.219 41.053 40.800 0.057 0.000 0.922 59 D HN 0.095 nan 8.370 nan 0.000 0.518 60 K N 0.000 120.410 120.400 0.016 0.000 3.419 60 K HA -0.232 4.088 4.320 -0.001 0.000 0.272 60 K C -0.331 176.262 176.600 -0.012 0.000 0.973 60 K CA 0.437 56.724 56.287 0.001 0.000 0.749 60 K CB -2.519 29.970 32.500 -0.018 0.000 1.403 60 K HN 0.494 nan 8.250 nan 0.000 0.456 61 I N -0.146 120.430 120.570 0.010 0.000 2.894 61 I HA 0.624 4.794 4.170 -0.001 0.000 0.302 61 I C -0.825 175.305 176.117 0.022 0.000 1.188 61 I CA -1.525 59.763 61.300 -0.021 0.000 1.014 61 I CB 1.673 39.671 38.000 -0.004 0.000 1.242 61 I HN 0.272 nan 8.210 nan 0.000 0.430 62 I N 2.144 122.672 120.570 -0.072 0.000 2.802 62 I HA 0.521 4.690 4.170 -0.001 0.000 0.298 62 I C -1.741 174.296 176.117 -0.134 0.000 1.176 62 I CA -0.596 60.719 61.300 0.027 0.000 1.025 62 I CB 2.169 40.184 38.000 0.025 0.000 1.243 62 I HN 0.294 nan 8.210 nan 0.000 0.424 63 F N 4.836 124.767 119.950 -0.031 0.000 2.403 63 F HA 0.614 5.140 4.527 -0.001 0.000 0.355 63 F C -0.418 175.390 175.800 0.014 0.000 1.119 63 F CA -0.517 57.437 58.000 -0.077 0.000 1.007 63 F CB 1.654 40.567 39.000 -0.145 0.000 1.194 63 F HN 0.197 nan 8.300 nan 0.000 0.443 64 L N 3.623 124.949 121.223 0.172 0.000 2.317 64 L HA 0.439 4.779 4.340 -0.001 0.000 0.281 64 L C -0.293 176.770 176.870 0.323 0.000 1.024 64 L CA -0.733 54.257 54.840 0.250 0.000 0.810 64 L CB 1.868 44.108 42.059 0.302 0.000 1.240 64 L HN 0.639 nan 8.230 nan 0.000 0.427 65 H N 2.227 121.395 119.070 0.163 0.000 2.541 65 H HA 0.580 5.136 4.556 0.000 0.000 0.316 65 H C -0.751 174.559 175.328 -0.030 0.000 1.043 65 H CA -0.632 55.478 56.048 0.104 0.000 1.232 65 H CB 1.584 31.398 29.762 0.087 0.000 1.406 65 H HN 0.741 nan 8.280 nan 0.000 0.469 66 G N 4.623 113.375 108.800 -0.080 0.000 2.591 66 G HA2 0.213 4.173 3.960 -0.001 0.000 0.306 66 G HA3 0.213 4.173 3.960 -0.001 0.000 0.306 66 G C -1.031 173.582 174.900 -0.478 0.000 1.334 66 G CA -0.848 43.824 45.100 -0.714 0.000 0.981 66 G HN 0.470 nan 8.290 nan 0.000 0.491 67 K N 0.353 120.461 120.400 -0.487 0.000 2.237 67 K HA 0.444 4.763 4.320 -0.001 0.000 0.270 67 K C 0.250 176.649 176.600 -0.336 0.000 1.015 67 K CA -0.274 55.840 56.287 -0.287 0.000 0.949 67 K CB 1.806 34.180 32.500 -0.209 0.000 0.976 67 K HN 0.621 nan 8.250 nan 0.000 0.472 68 V N -0.580 119.178 119.914 -0.259 0.000 2.823 68 V HA 0.540 4.659 4.120 -0.001 0.000 0.312 68 V C -0.571 175.461 176.094 -0.102 0.000 1.072 68 V CA -1.065 61.067 62.300 -0.279 0.000 0.937 68 V CB 1.386 32.812 31.823 -0.661 0.000 1.013 68 V HN 0.942 nan 8.190 nan 0.000 0.430 80 A N 1.405 124.338 122.820 0.188 0.000 2.555 80 A HA 0.605 4.925 4.320 -0.001 0.000 0.297 80 A C -1.361 176.378 177.584 0.257 0.000 1.060 80 A CA -0.570 51.594 52.037 0.211 0.000 0.710 80 A CB 1.513 20.539 19.000 0.044 0.000 1.282 80 A HN 0.193 nan 8.150 nan 0.000 0.399 81 V N 2.549 122.605 119.914 0.237 0.000 2.370 81 V HA 0.472 4.592 4.120 -0.001 0.000 0.279 81 V C -0.040 176.157 176.094 0.170 0.000 1.029 81 V CA -0.427 62.000 62.300 0.211 0.000 0.870 81 V CB 1.323 33.241 31.823 0.158 0.000 0.984 81 V HN 0.684 nan 8.190 nan 0.000 0.451 82 V N 6.684 126.698 119.914 0.168 0.000 2.532 82 V HA 0.545 4.664 4.120 -0.001 0.000 0.295 82 V C -0.157 175.874 176.094 -0.104 0.000 1.041 82 V CA -0.482 61.833 62.300 0.024 0.000 0.926 82 V CB 1.823 33.601 31.823 -0.075 0.000 0.992 82 V HN 0.675 nan 8.190 nan 0.000 0.457 83 I N 5.335 125.778 120.570 -0.211 0.000 2.439 83 I HA 0.397 4.567 4.170 -0.001 0.000 0.285 83 I C -1.174 174.759 176.117 -0.307 0.000 1.021 83 I CA -0.551 60.507 61.300 -0.403 0.000 1.091 83 I CB 1.749 39.384 38.000 -0.608 0.000 1.242 83 I HN 0.212 nan 8.210 nan 0.000 0.439 84 L N 5.805 126.862 121.223 -0.277 0.000 2.307 84 L HA 0.575 4.914 4.340 -0.001 0.000 0.284 84 L C -0.231 176.526 176.870 -0.188 0.000 1.023 84 L CA -0.289 54.436 54.840 -0.193 0.000 0.810 84 L CB 1.350 43.327 42.059 -0.136 0.000 1.231 84 L HN 0.690 nan 8.230 nan 0.000 0.423 85 E N 2.559 122.667 120.200 -0.153 0.000 2.278 85 E HA 0.291 4.640 4.350 -0.001 0.000 0.272 85 E C -0.911 175.625 176.600 -0.106 0.000 0.890 85 E CA -0.749 55.576 56.400 -0.126 0.000 0.770 85 E CB 1.968 31.590 29.700 -0.130 0.000 1.212 85 E HN 0.348 nan 8.360 nan 0.000 0.415 86 K N 1.622 121.964 120.400 -0.097 0.000 2.276 86 K HA 0.185 4.505 4.320 -0.001 0.000 0.259 86 K C 0.215 176.731 176.600 -0.140 0.000 1.001 86 K CA -0.041 56.174 56.287 -0.120 0.000 0.927 86 K CB 0.849 33.277 32.500 -0.120 0.000 0.969 86 K HN 0.652 nan 8.250 nan 0.000 0.490 87 T N -0.814 113.628 114.554 -0.187 0.000 2.943 87 T HA 0.478 4.827 4.350 -0.001 0.000 0.284 87 T C -2.270 172.264 174.700 -0.277 0.000 1.015 87 T CA -1.875 60.114 62.100 -0.185 0.000 1.042 87 T CB 0.787 69.562 68.868 -0.155 0.000 1.055 87 T HN 0.217 nan 8.240 nan 0.000 0.500 88 P HA 0.250 nan 4.420 nan 0.000 0.267 88 P C -0.678 176.495 177.300 -0.212 0.000 1.200 88 P CA -0.360 62.644 63.100 -0.160 0.000 0.772 88 P CB 0.104 31.779 31.700 -0.043 0.000 0.855 89 F N 0.394 120.341 119.950 -0.006 0.000 2.410 89 F HA 0.159 4.686 4.527 -0.001 0.000 0.334 89 F C 1.448 177.244 175.800 -0.006 0.000 1.134 89 F CA 0.125 58.120 58.000 -0.008 0.000 1.227 89 F CB 0.517 39.510 39.000 -0.011 0.000 1.194 89 F HN 0.152 nan 8.300 nan 0.000 0.571 90 Q N 1.593 121.514 119.800 0.202 0.000 2.271 90 Q HA 0.258 4.598 4.340 -0.001 0.000 0.258 90 Q C 0.983 177.042 176.000 0.097 0.000 0.936 90 Q CA -0.524 55.346 55.803 0.112 0.000 0.909 90 Q CB 2.306 31.086 28.738 0.069 0.000 1.253 90 Q HN 0.752 nan 8.270 nan 0.000 0.440 91 V N 0.905 120.856 119.914 0.061 0.000 2.295 91 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 91 V C 1.818 177.920 176.094 0.013 0.000 1.049 91 V CA 2.215 64.531 62.300 0.028 0.000 1.024 91 V CB -0.776 31.057 31.823 0.017 0.000 0.648 91 V HN 0.933 nan 8.190 nan 0.000 0.447 92 E N 0.381 120.592 120.200 0.018 0.000 2.072 92 E HA -0.311 4.039 4.350 -0.001 0.000 0.191 92 E C 2.191 178.796 176.600 0.009 0.000 0.985 92 E CA 1.672 58.078 56.400 0.009 0.000 0.801 92 E CB -0.589 29.117 29.700 0.010 0.000 0.750 92 E HN 0.743 nan 8.360 nan 0.000 0.452 93 Q N 0.817 120.632 119.800 0.024 0.000 2.084 93 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 93 Q C 2.464 178.474 176.000 0.017 0.000 0.978 93 Q CA 1.751 57.571 55.803 0.028 0.000 0.844 93 Q CB -0.033 28.736 28.738 0.051 0.000 0.898 93 Q HN 0.181 nan 8.270 nan 0.000 0.426 94 V N 0.741 120.661 119.914 0.009 0.000 2.358 94 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 94 V C 2.215 178.274 176.094 -0.059 0.000 1.047 94 V CA 1.735 64.008 62.300 -0.045 0.000 1.035 94 V CB -0.851 30.901 31.823 -0.119 0.000 0.658 94 V HN 0.397 nan 8.190 nan 0.000 0.452 95 A N -0.978 121.815 122.820 -0.044 0.000 1.933 95 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 95 A C 2.236 179.799 177.584 -0.034 0.000 1.175 95 A CA 2.054 54.066 52.037 -0.043 0.000 0.628 95 A CB -0.479 18.503 19.000 -0.030 0.000 0.814 95 A HN 0.596 nan 8.150 nan 0.000 0.444 96 Q N -1.037 118.750 119.800 -0.022 0.000 2.046 96 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 96 Q C 1.980 177.967 176.000 -0.022 0.000 0.975 96 Q CA 1.450 57.242 55.803 -0.017 0.000 0.836 96 Q CB -0.210 28.523 28.738 -0.007 0.000 0.896 96 Q HN 0.506 nan 8.270 nan 0.000 0.428 97 L N 0.673 121.882 121.223 -0.023 0.000 2.127 97 L HA -0.151 4.189 4.340 -0.001 0.000 0.211 97 L C 1.835 178.678 176.870 -0.045 0.000 1.089 97 L CA 1.583 56.407 54.840 -0.027 0.000 0.757 97 L CB -0.276 41.768 42.059 -0.024 0.000 0.899 97 L HN 0.284 nan 8.230 nan 0.000 0.434 98 L N -1.285 119.904 121.223 -0.057 0.000 2.492 98 L HA -0.034 4.306 4.340 -0.001 0.000 0.223 98 L C 2.052 178.886 176.870 -0.060 0.000 1.132 98 L CA 0.951 55.747 54.840 -0.073 0.000 0.850 98 L CB -0.648 41.359 42.059 -0.086 0.000 0.966 98 L HN 0.411 nan 8.230 nan 0.000 0.454 99 T N -3.480 111.047 114.554 -0.045 0.000 3.118 99 T HA 0.102 4.451 4.350 -0.001 0.000 0.260 99 T C 1.099 175.779 174.700 -0.034 0.000 1.139 99 T CA 0.477 62.555 62.100 -0.037 0.000 1.085 99 T CB -0.034 68.818 68.868 -0.028 0.000 0.934 99 T HN 0.298 nan 8.240 nan 0.000 0.518 100 G N 0.565 109.344 108.800 -0.035 0.000 3.271 100 G HA2 0.528 4.487 3.960 -0.001 0.000 0.174 100 G HA3 0.528 4.487 3.960 -0.001 0.000 0.174 100 G C -0.606 174.273 174.900 -0.035 0.000 1.385 100 G CA -0.659 44.424 45.100 -0.029 0.000 0.979 100 G HN 0.285 nan 8.290 nan 0.000 0.610 101 S N 2.246 117.929 115.700 -0.028 0.000 2.158 101 S HA 0.404 4.873 4.470 -0.001 0.000 0.160 101 S C -2.553 172.033 174.600 -0.024 0.000 1.693 101 S CA -0.651 57.531 58.200 -0.029 0.000 1.251 101 S CB 1.171 64.360 63.200 -0.017 0.000 1.153 101 S HN 0.477 nan 8.310 nan 0.000 0.439 102 P HA 0.130 nan 4.420 nan 0.000 0.268 102 P C -0.331 176.968 177.300 -0.003 0.000 1.205 102 P CA -0.186 62.898 63.100 -0.027 0.000 0.771 102 P CB 0.577 32.238 31.700 -0.065 0.000 0.858 103 E N 2.004 122.233 120.200 0.049 0.000 2.159 103 E HA 0.216 4.565 4.350 -0.001 0.000 0.272 103 E C -0.697 175.996 176.600 0.154 0.000 1.138 103 E CA -0.149 56.312 56.400 0.103 0.000 0.915 103 E CB -0.180 29.607 29.700 0.144 0.000 1.028 103 E HN 0.356 nan 8.360 nan 0.000 0.423 104 L N 3.687 124.982 121.223 0.119 0.000 2.341 104 L HA 0.430 4.770 4.340 -0.001 0.000 0.267 104 L C -0.424 176.587 176.870 0.234 0.000 1.009 104 L CA -0.825 54.098 54.840 0.140 0.000 0.819 104 L CB 2.034 44.077 42.059 -0.026 0.000 1.323 104 L HN 0.487 nan 8.230 nan 0.000 0.425 105 Q N 2.898 122.892 119.800 0.323 0.000 2.292 105 Q HA 0.380 4.719 4.340 -0.001 0.000 0.270 105 Q C -1.644 174.558 176.000 0.335 0.000 1.024 105 Q CA -0.907 55.082 55.803 0.310 0.000 0.768 105 Q CB 2.482 31.411 28.738 0.319 0.000 1.250 105 Q HN 0.571 nan 8.270 nan 0.000 0.447 106 L N 3.518 124.886 121.223 0.241 0.000 2.462 106 L HA 0.068 4.407 4.340 -0.001 0.000 0.272 106 L C 0.920 177.827 176.870 0.061 0.000 1.166 106 L CA 0.906 55.787 54.840 0.069 0.000 0.880 106 L CB 1.013 43.091 42.059 0.031 0.000 1.142 106 L HN 0.922 nan 8.230 nan 0.000 0.473 107 Q N 4.417 124.182 119.800 -0.059 0.000 2.159 107 Q HA 0.148 4.488 4.340 -0.001 0.000 0.194 107 Q C -0.542 175.532 176.000 0.123 0.000 0.968 107 Q CA 0.889 56.733 55.803 0.068 0.000 0.837 107 Q CB 0.433 29.177 28.738 0.011 0.000 0.920 107 Q HN 0.700 nan 8.270 nan 0.000 0.485 108 F N -2.291 117.563 119.950 -0.161 0.000 2.773 108 F HA 0.563 5.089 4.527 -0.001 0.000 0.314 108 F C -1.340 174.363 175.800 -0.161 0.000 1.160 108 F CA -1.119 56.808 58.000 -0.123 0.000 0.920 108 F CB 1.363 40.319 39.000 -0.073 0.000 1.323 108 F HN -0.215 nan 8.300 nan 0.000 0.457 109 S N 2.328 118.099 115.700 0.119 0.000 2.614 109 S HA 0.632 5.102 4.470 -0.001 0.000 0.288 109 S C -2.151 172.596 174.600 0.244 0.000 1.137 109 S CA -0.434 57.783 58.200 0.028 0.000 0.992 109 S CB 1.300 64.495 63.200 -0.009 0.000 1.026 109 S HN 0.955 nan 8.310 nan 0.000 0.486 110 N N 3.565 122.415 118.700 0.249 0.000 2.533 110 N HA 0.322 5.062 4.740 -0.001 0.000 0.289 110 N C -0.218 175.428 175.510 0.227 0.000 1.103 110 N CA 0.186 53.384 53.050 0.247 0.000 0.877 110 N CB 1.595 40.265 38.487 0.305 0.000 1.419 110 N HN 0.920 nan 8.380 nan 0.000 0.517 111 D N 1.659 122.145 120.400 0.144 0.000 3.771 111 D HA -0.316 4.324 4.640 -0.001 0.000 0.145 111 D C 1.228 177.562 176.300 0.056 0.000 0.892 111 D CA 3.078 57.143 54.000 0.109 0.000 1.080 111 D CB -0.997 39.895 40.800 0.154 0.000 0.498 111 D HN 0.561 nan 8.370 nan 0.000 0.499 112 I N -2.010 118.547 120.570 -0.022 0.000 3.428 112 I HA 0.160 4.330 4.170 -0.001 0.000 0.286 112 I C 0.289 176.225 176.117 -0.301 0.000 1.287 112 I CA 0.002 61.174 61.300 -0.213 0.000 1.396 112 I CB -0.322 37.462 38.000 -0.359 0.000 1.062 112 I HN 0.124 nan 8.210 nan 0.000 0.471 113 Y N 2.109 122.405 120.300 -0.006 0.000 2.352 113 Y HA 0.631 5.180 4.550 -0.001 0.000 0.326 113 Y C 0.541 176.354 175.900 -0.145 0.000 1.166 113 Y CA -0.674 57.398 58.100 -0.047 0.000 1.182 113 Y CB 1.467 39.922 38.460 -0.009 0.000 1.216 113 Y HN 0.181 nan 8.280 nan 0.000 0.474 114 S N -0.245 115.397 115.700 -0.096 0.000 2.537 114 S HA 0.737 5.207 4.470 -0.001 0.000 0.271 114 S C -0.943 173.339 174.600 -0.531 0.000 1.148 114 S CA -0.924 57.028 58.200 -0.415 0.000 0.868 114 S CB 1.534 64.565 63.200 -0.282 0.000 1.115 114 S HN 0.774 nan 8.310 nan 0.000 0.461 115 T N -0.187 113.806 114.554 -0.936 0.000 2.906 115 T HA 0.842 5.192 4.350 -0.001 0.000 0.295 115 T C -1.533 172.673 174.700 -0.825 0.000 1.061 115 T CA -0.622 61.080 62.100 -0.662 0.000 1.000 115 T CB 1.047 69.590 68.868 -0.541 0.000 1.103 115 T HN 0.735 nan 8.240 nan 0.000 0.486 116 Y N -1.213 118.948 120.300 -0.231 0.000 2.597 116 Y HA 0.463 5.013 4.550 -0.001 0.000 0.340 116 Y C 0.124 175.854 175.900 -0.283 0.000 1.097 116 Y CA -1.325 56.678 58.100 -0.161 0.000 1.037 116 Y CB 1.508 39.917 38.460 -0.084 0.000 1.305 116 Y HN 0.692 nan 8.280 nan 0.000 0.463 117 H N 2.404 121.521 119.070 0.079 0.000 2.594 117 H HA 0.351 4.907 4.556 -0.000 0.000 0.304 117 H C -1.101 174.092 175.328 -0.225 0.000 1.068 117 H CA -0.528 55.446 56.048 -0.123 0.000 1.308 117 H CB 1.880 31.586 29.762 -0.094 0.000 1.409 117 H HN 0.422 nan 8.280 nan 0.000 0.460 118 L N 4.057 125.123 121.223 -0.261 0.000 2.295 118 L HA 0.359 4.699 4.340 -0.001 0.000 0.285 118 L C -1.359 175.251 176.870 -0.433 0.000 1.035 118 L CA -0.341 54.374 54.840 -0.207 0.000 0.806 118 L CB 0.443 42.433 42.059 -0.115 0.000 1.214 118 L HN 0.325 nan 8.230 nan 0.000 0.426 119 F N 6.404 126.394 119.950 0.067 0.000 2.359 119 F HA 0.521 5.048 4.527 -0.000 0.000 0.370 119 F C -1.957 173.867 175.800 0.040 0.000 1.077 119 F CA -1.612 56.421 58.000 0.056 0.000 1.136 119 F CB 0.611 39.639 39.000 0.046 0.000 1.387 119 F HN 0.443 nan 8.300 nan 0.000 0.468 120 P HA 0.415 nan 4.420 nan 0.000 0.280 120 P C -2.674 174.684 177.300 0.097 0.000 1.272 120 P CA -1.965 61.196 63.100 0.103 0.000 0.819 120 P CB 0.369 32.123 31.700 0.090 0.000 1.122 121 P HA 0.216 nan 4.420 nan 0.000 0.271 121 P C 1.233 178.560 177.300 0.046 0.000 1.233 121 P CA -0.263 62.868 63.100 0.051 0.000 0.789 121 P CB 0.442 32.164 31.700 0.037 0.000 0.951 122 R N 0.502 121.022 120.500 0.033 0.000 2.196 122 R HA -0.315 4.024 4.340 -0.001 0.000 0.259 122 R C 2.027 178.337 176.300 0.017 0.000 1.154 122 R CA 2.287 58.399 56.100 0.021 0.000 0.976 122 R CB -0.412 29.895 30.300 0.011 0.000 0.888 122 R HN 0.591 nan 8.270 nan 0.000 0.453 123 Q N -0.436 119.377 119.800 0.021 0.000 2.170 123 Q HA -0.141 4.198 4.340 -0.001 0.000 0.203 123 Q C 1.607 177.620 176.000 0.021 0.000 0.976 123 Q CA 1.206 57.019 55.803 0.018 0.000 0.858 123 Q CB -0.062 28.689 28.738 0.022 0.000 0.907 123 Q HN 0.279 nan 8.270 nan 0.000 0.433 124 L N 0.398 121.644 121.223 0.039 0.000 2.529 124 L HA 0.066 4.405 4.340 -0.001 0.000 0.223 124 L C 0.780 177.645 176.870 -0.009 0.000 1.113 124 L CA 0.525 55.394 54.840 0.048 0.000 0.861 124 L CB 0.040 42.181 42.059 0.138 0.000 1.012 124 L HN 0.191 nan 8.230 nan 0.000 0.461 125 N N -0.795 117.903 118.700 -0.003 0.000 2.322 125 N HA -0.031 4.708 4.740 -0.001 0.000 0.194 125 N C 0.178 175.662 175.510 -0.044 0.000 1.126 125 N CA 0.079 53.119 53.050 -0.016 0.000 0.845 125 N CB -0.194 38.302 38.487 0.016 0.000 0.976 125 N HN 0.190 nan 8.380 nan 0.000 0.475 126 D N 1.166 121.532 120.400 -0.055 0.000 2.472 126 D HA -0.024 4.616 4.640 -0.001 0.000 0.248 126 D C -0.557 175.695 176.300 -0.080 0.000 1.174 126 D CA 0.327 54.291 54.000 -0.061 0.000 0.883 126 D CB 0.706 41.470 40.800 -0.059 0.000 1.149 126 D HN -0.197 nan 8.370 nan 0.000 0.488 127 V N 5.363 125.233 119.914 -0.073 0.000 2.347 127 V HA 0.163 4.283 4.120 -0.001 0.000 0.280 127 V C 0.505 176.547 176.094 -0.087 0.000 1.021 127 V CA -0.979 61.270 62.300 -0.084 0.000 0.847 127 V CB 1.328 33.103 31.823 -0.079 0.000 0.990 127 V HN 0.453 nan 8.190 nan 0.000 0.444 128 K N 3.396 123.741 120.400 -0.093 0.000 2.402 128 K HA 0.224 4.544 4.320 -0.001 0.000 0.285 128 K C -0.225 176.309 176.600 -0.111 0.000 1.054 128 K CA 0.216 56.448 56.287 -0.091 0.000 1.001 128 K CB 0.252 32.701 32.500 -0.085 0.000 0.946 128 K HN 0.744 nan 8.250 nan 0.000 0.473 129 T N 3.902 118.393 114.554 -0.105 0.000 2.809 129 T HA 0.190 4.540 4.350 -0.001 0.000 0.296 129 T C -0.907 173.730 174.700 -0.106 0.000 1.015 129 T CA -0.607 61.421 62.100 -0.120 0.000 0.954 129 T CB 1.326 70.122 68.868 -0.119 0.000 0.950 129 T HN 0.481 nan 8.240 nan 0.000 0.450 130 T N 3.648 118.130 114.554 -0.121 0.000 2.801 130 T HA 0.451 4.800 4.350 -0.001 0.000 0.306 130 T C 0.333 174.995 174.700 -0.062 0.000 1.020 130 T CA -0.501 61.547 62.100 -0.087 0.000 0.948 130 T CB 0.676 69.487 68.868 -0.094 0.000 0.962 130 T HN 0.295 nan 8.240 nan 0.000 0.465 131 V N 3.733 123.639 119.914 -0.013 0.000 2.743 131 V HA 0.537 4.657 4.120 -0.001 0.000 0.301 131 V C -0.020 176.136 176.094 0.103 0.000 1.057 131 V CA -0.657 61.684 62.300 0.068 0.000 1.006 131 V CB 1.832 33.704 31.823 0.083 0.000 1.024 131 V HN 0.637 nan 8.190 nan 0.000 0.473 132 V N 4.309 124.322 119.914 0.166 0.000 2.445 132 V HA 0.409 4.529 4.120 -0.001 0.000 0.283 132 V C -1.374 174.870 176.094 0.249 0.000 1.014 132 V CA -0.558 61.819 62.300 0.129 0.000 0.852 132 V CB 1.083 32.924 31.823 0.030 0.000 1.021 132 V HN 0.779 nan 8.190 nan 0.000 0.435 133 Y N 6.586 126.956 120.300 0.116 0.000 2.361 133 Y HA 0.805 5.355 4.550 -0.000 0.000 0.328 133 Y C -2.471 173.497 175.900 0.113 0.000 1.044 133 Y CA -1.945 56.242 58.100 0.146 0.000 1.085 133 Y CB 2.068 40.692 38.460 0.274 0.000 1.194 133 Y HN 0.598 nan 8.280 nan 0.000 0.438 134 P HA 0.723 nan 4.420 nan 0.000 0.279 134 P C -1.638 175.643 177.300 -0.032 0.000 1.276 134 P CA -0.770 62.076 63.100 -0.423 0.000 0.801 134 P CB 1.113 32.539 31.700 -0.456 0.000 1.127 135 A N -0.052 122.800 122.820 0.053 0.000 2.311 135 A HA 0.526 4.846 4.320 -0.001 0.000 0.306 135 A C 0.194 177.845 177.584 0.112 0.000 1.189 135 A CA -0.485 51.637 52.037 0.141 0.000 0.791 135 A CB 0.514 19.583 19.000 0.114 0.000 1.172 135 A HN 0.551 nan 8.150 nan 0.000 0.481 136 T N 0.204 114.853 114.554 0.158 0.000 2.813 136 T HA 0.143 4.493 4.350 -0.001 0.000 0.297 136 T C 1.317 176.015 174.700 -0.004 0.000 1.036 136 T CA 0.458 62.572 62.100 0.023 0.000 1.044 136 T CB 0.705 69.534 68.868 -0.064 0.000 0.993 136 T HN 0.735 nan 8.240 nan 0.000 0.535 137 E N 1.019 121.197 120.200 -0.037 0.000 2.204 137 E HA -0.076 4.274 4.350 -0.001 0.000 0.195 137 E C 1.688 178.248 176.600 -0.066 0.000 0.990 137 E CA 1.424 57.797 56.400 -0.046 0.000 0.821 137 E CB -0.025 29.653 29.700 -0.036 0.000 0.750 137 E HN 0.422 nan 8.360 nan 0.000 0.477 138 K N -0.601 119.735 120.400 -0.107 0.000 2.217 138 K HA -0.076 4.244 4.320 -0.001 0.000 0.202 138 K C 1.966 178.458 176.600 -0.180 0.000 1.051 138 K CA 1.164 57.359 56.287 -0.153 0.000 0.952 138 K CB -0.457 31.923 32.500 -0.200 0.000 0.736 138 K HN 0.478 nan 8.250 nan 0.000 0.453 139 H N 0.436 119.431 119.070 -0.125 0.000 2.363 139 H HA 0.075 4.631 4.556 -0.001 0.000 0.301 139 H C 2.037 177.262 175.328 -0.172 0.000 1.074 139 H CA 0.944 56.886 56.048 -0.178 0.000 1.354 139 H CB 0.109 29.849 29.762 -0.036 0.000 1.397 139 H HN -0.037 nan 8.280 nan 0.000 0.516 140 L N 0.347 121.597 121.223 0.046 0.000 2.201 140 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 140 L C 2.521 179.393 176.870 0.003 0.000 1.105 140 L CA 1.011 55.860 54.840 0.015 0.000 0.775 140 L CB -0.269 41.706 42.059 -0.141 0.000 0.913 140 L HN 0.401 nan 8.230 nan 0.000 0.440 141 Q N 1.345 121.116 119.800 -0.047 0.000 2.137 141 Q HA -0.188 4.152 4.340 -0.001 0.000 0.198 141 Q C 2.066 178.018 176.000 -0.079 0.000 0.960 141 Q CA 1.340 57.113 55.803 -0.050 0.000 0.847 141 Q CB 0.195 28.897 28.738 -0.060 0.000 0.915 141 Q HN 0.555 nan 8.270 nan 0.000 0.448 142 K N -1.558 118.742 120.400 -0.167 0.000 2.486 142 K HA -0.093 4.227 4.320 -0.001 0.000 0.194 142 K C 0.907 177.361 176.600 -0.243 0.000 1.033 142 K CA 1.087 57.236 56.287 -0.230 0.000 1.004 142 K CB -0.027 32.286 32.500 -0.313 0.000 0.798 142 K HN 0.278 nan 8.250 nan 0.000 0.495 143 Y N 0.670 120.939 120.300 -0.051 0.000 2.524 143 Y HA 0.198 4.747 4.550 -0.001 0.000 0.270 143 Y C 0.836 176.653 175.900 -0.139 0.000 1.094 143 Y CA -1.179 56.834 58.100 -0.144 0.000 1.276 143 Y CB 0.569 38.999 38.460 -0.049 0.000 1.130 143 Y HN -0.009 nan 8.280 nan 0.000 0.536 144 L N 2.070 123.339 121.223 0.078 0.000 2.499 144 L HA 0.149 4.488 4.340 -0.001 0.000 0.273 144 L C -0.298 176.578 176.870 0.010 0.000 1.195 144 L CA 0.141 55.010 54.840 0.048 0.000 0.882 144 L CB 0.418 42.503 42.059 0.044 0.000 1.133 144 L HN 0.061 nan 8.230 nan 0.000 0.483 145 R N 3.233 123.739 120.500 0.010 0.000 2.564 145 R HA 0.351 4.690 4.340 -0.001 0.000 0.284 145 R C -1.338 174.971 176.300 0.015 0.000 1.031 145 R CA -0.544 55.556 56.100 0.001 0.000 0.904 145 R CB 1.526 31.813 30.300 -0.021 0.000 1.199 145 R HN 0.635 nan 8.270 nan 0.000 0.443 146 Q N 1.706 121.515 119.800 0.016 0.000 2.299 146 Q HA 0.186 4.525 4.340 -0.001 0.000 0.246 146 Q C -0.606 175.405 176.000 0.019 0.000 0.935 146 Q CA -0.581 55.234 55.803 0.021 0.000 0.887 146 Q CB 1.095 29.846 28.738 0.023 0.000 1.223 146 Q HN 0.511 nan 8.270 nan 0.000 0.439 147 D N 1.240 121.652 120.400 0.020 0.000 2.488 147 D HA 0.111 4.750 4.640 -0.001 0.000 0.238 147 D C -0.461 175.848 176.300 0.015 0.000 1.138 147 D CA 0.406 54.416 54.000 0.017 0.000 0.873 147 D CB 0.539 41.348 40.800 0.016 0.000 1.183 147 D HN 0.219 nan 8.370 nan 0.000 0.458 148 L N 3.372 124.602 121.223 0.012 0.000 2.344 148 L HA 0.588 4.928 4.340 -0.001 0.000 0.272 148 L C 0.487 177.360 176.870 0.004 0.000 1.035 148 L CA -0.909 53.938 54.840 0.012 0.000 0.807 148 L CB 1.062 43.128 42.059 0.011 0.000 1.237 148 L HN 0.191 nan 8.230 nan 0.000 0.442 149 R N 1.820 122.320 120.500 0.000 0.000 2.744 149 R HA 0.550 4.890 4.340 -0.001 0.000 0.279 149 R C -1.262 175.015 176.300 -0.037 0.000 0.977 149 R CA -1.094 54.996 56.100 -0.017 0.000 0.906 149 R CB 2.464 32.754 30.300 -0.018 0.000 1.197 149 R HN 0.324 nan 8.270 nan 0.000 0.463 150 L N 2.325 123.514 121.223 -0.056 0.000 2.375 150 L HA 0.432 4.772 4.340 -0.001 0.000 0.271 150 L C -0.461 176.316 176.870 -0.154 0.000 1.107 150 L CA -0.132 54.651 54.840 -0.095 0.000 0.806 150 L CB 0.715 42.732 42.059 -0.071 0.000 1.146 150 L HN 0.408 nan 8.230 nan 0.000 0.447 151 I N 4.003 124.400 120.570 -0.288 0.000 2.722 151 I HA 0.399 4.568 4.170 -0.001 0.000 0.295 151 I C -0.775 175.095 176.117 -0.412 0.000 1.161 151 I CA -0.594 60.494 61.300 -0.353 0.000 1.032 151 I CB 2.173 39.911 38.000 -0.435 0.000 1.244 151 I HN 0.582 nan 8.210 nan 0.000 0.421 152 R N 4.362 124.727 120.500 -0.225 0.000 2.310 152 R HA 0.283 4.623 4.340 -0.001 0.000 0.316 152 R C -0.350 175.914 176.300 -0.059 0.000 1.004 152 R CA -0.521 55.503 56.100 -0.126 0.000 0.900 152 R CB 1.524 31.784 30.300 -0.067 0.000 1.152 152 R HN 0.513 nan 8.270 nan 0.000 0.513 153 E N 3.366 123.572 120.200 0.011 0.000 2.046 153 E HA 0.070 4.419 4.350 -0.001 0.000 0.279 153 E C -0.155 176.525 176.600 0.132 0.000 0.989 153 E CA -0.356 56.130 56.400 0.143 0.000 0.798 153 E CB 0.866 30.815 29.700 0.416 0.000 1.086 153 E HN 0.488 nan 8.360 nan 0.000 0.399 154 T N 1.104 115.710 114.554 0.085 0.000 2.802 154 T HA 0.164 4.513 4.350 -0.001 0.000 0.305 154 T C 1.427 176.185 174.700 0.096 0.000 1.053 154 T CA -0.195 61.940 62.100 0.058 0.000 1.058 154 T CB 1.360 70.249 68.868 0.035 0.000 0.988 154 T HN 0.475 nan 8.240 nan 0.000 0.539 155 G N 0.444 109.278 108.800 0.057 0.000 2.469 155 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.219 155 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.219 155 G C 1.208 176.192 174.900 0.139 0.000 1.150 155 G CA 0.778 45.931 45.100 0.089 0.000 0.763 155 G HN 0.805 nan 8.290 nan 0.000 0.561 156 D N 0.861 121.315 120.400 0.089 0.000 2.144 156 D HA -0.068 4.572 4.640 -0.001 0.000 0.200 156 D C 2.083 178.435 176.300 0.087 0.000 0.978 156 D CA 0.901 54.946 54.000 0.076 0.000 0.833 156 D CB -0.254 40.572 40.800 0.044 0.000 0.961 156 D HN 0.178 nan 8.370 nan 0.000 0.470 157 D N -0.246 120.217 120.400 0.105 0.000 2.149 157 D HA -0.184 4.455 4.640 -0.001 0.000 0.198 157 D C 1.903 178.296 176.300 0.155 0.000 0.990 157 D CA 0.644 54.712 54.000 0.113 0.000 0.839 157 D CB -0.427 40.447 40.800 0.124 0.000 0.948 157 D HN 0.312 nan 8.370 nan 0.000 0.460 158 Y N 1.893 122.254 120.300 0.103 0.000 2.114 158 Y HA -0.142 4.408 4.550 -0.001 0.000 0.284 158 Y C 2.254 178.205 175.900 0.085 0.000 1.143 158 Y CA 1.603 59.777 58.100 0.123 0.000 1.135 158 Y CB -0.095 38.444 38.460 0.132 0.000 0.980 158 Y HN -0.184 nan 8.280 nan 0.000 0.499 159 R N -0.151 120.327 120.500 -0.036 0.000 2.115 159 R HA -0.124 4.215 4.340 -0.001 0.000 0.230 159 R C 1.565 177.800 176.300 -0.108 0.000 1.111 159 R CA 1.365 57.394 56.100 -0.119 0.000 0.976 159 R CB -0.232 30.080 30.300 0.020 0.000 0.870 159 R HN 0.398 nan 8.270 nan 0.000 0.445 160 N N -0.299 118.372 118.700 -0.048 0.000 2.432 160 N HA 0.050 4.790 4.740 -0.001 0.000 0.174 160 N C 1.391 176.886 175.510 -0.026 0.000 1.037 160 N CA 0.917 53.951 53.050 -0.026 0.000 0.892 160 N CB 0.382 38.870 38.487 0.002 0.000 1.049 160 N HN 0.122 nan 8.380 nan 0.000 0.442 161 I N -0.595 119.963 120.570 -0.021 0.000 3.518 161 I HA 0.061 4.231 4.170 -0.001 0.000 0.260 161 I C 1.838 177.959 176.117 0.006 0.000 1.148 161 I CA 0.652 61.953 61.300 0.002 0.000 1.440 161 I CB -0.426 37.586 38.000 0.020 0.000 1.485 161 I HN -0.148 nan 8.210 nan 0.000 0.456 162 T N 1.810 116.367 114.554 0.006 0.000 2.701 162 T HA -0.109 4.241 4.350 -0.001 0.000 0.263 162 T C 1.854 176.504 174.700 -0.082 0.000 1.040 162 T CA 1.546 63.675 62.100 0.050 0.000 1.147 162 T CB -0.354 68.651 68.868 0.228 0.000 0.865 162 T HN 0.116 nan 8.240 nan 0.000 0.426 163 L N 2.521 123.510 121.223 -0.390 0.000 1.970 163 L HA 0.005 4.344 4.340 -0.001 0.000 0.212 163 L C -0.997 175.757 176.870 -0.193 0.000 1.071 163 L CA 2.108 56.688 54.840 -0.434 0.000 0.751 163 L CB -1.583 40.042 42.059 -0.722 0.000 0.889 163 L HN 0.091 nan 8.230 nan 0.000 0.432 164 P HA -0.242 nan 4.420 nan 0.000 0.216 164 P C 1.580 178.866 177.300 -0.024 0.000 1.154 164 P CA 1.917 64.980 63.100 -0.062 0.000 0.865 164 P CB -0.404 31.275 31.700 -0.035 0.000 0.789 165 H N -0.491 118.532 119.070 -0.078 0.000 2.387 165 H HA -0.124 4.432 4.556 -0.001 0.000 0.299 165 H C 1.834 177.119 175.328 -0.071 0.000 1.090 165 H CA 1.222 57.238 56.048 -0.053 0.000 1.332 165 H CB -0.487 29.258 29.762 -0.028 0.000 1.386 165 H HN -0.035 nan 8.280 nan 0.000 0.516 166 L N 1.676 122.814 121.223 -0.143 0.000 2.056 166 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 166 L C 2.151 178.894 176.870 -0.211 0.000 1.078 166 L CA 1.644 56.338 54.840 -0.245 0.000 0.749 166 L CB -0.487 41.391 42.059 -0.301 0.000 0.901 166 L HN 0.260 nan 8.230 nan 0.000 0.433 167 E N -0.614 119.496 120.200 -0.151 0.000 2.204 167 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 167 E C 2.142 178.684 176.600 -0.096 0.000 0.989 167 E CA 1.224 57.563 56.400 -0.101 0.000 0.824 167 E CB -0.242 29.416 29.700 -0.070 0.000 0.756 167 E HN 0.741 nan 8.360 nan 0.000 0.477 168 S N 0.592 116.214 115.700 -0.129 0.000 2.414 168 S HA -0.110 4.360 4.470 -0.001 0.000 0.227 168 S C 1.162 175.685 174.600 -0.129 0.000 1.022 168 S CA 0.157 58.288 58.200 -0.115 0.000 0.958 168 S CB -0.079 63.053 63.200 -0.112 0.000 0.797 168 S HN 0.122 nan 8.310 nan 0.000 0.493 169 Q N 1.049 120.734 119.800 -0.191 0.000 2.382 169 Q HA 0.467 4.807 4.340 -0.001 0.000 0.229 169 Q C -0.730 175.225 176.000 -0.074 0.000 1.006 169 Q CA -0.114 55.610 55.803 -0.133 0.000 0.916 169 Q CB 0.752 29.395 28.738 -0.159 0.000 1.235 169 Q HN 0.242 nan 8.270 nan 0.000 0.512 170 S N 1.457 117.138 115.700 -0.032 0.000 2.130 170 S HA 0.186 4.656 4.470 -0.001 0.000 0.165 170 S C -0.564 174.049 174.600 0.022 0.000 1.677 170 S CA -0.538 57.659 58.200 -0.005 0.000 1.227 170 S CB 0.252 63.453 63.200 0.001 0.000 1.115 170 S HN 0.461 nan 8.310 nan 0.000 0.452 171 L N 3.441 124.688 121.223 0.040 0.000 2.597 171 L HA 0.210 4.550 4.340 -0.001 0.000 0.271 171 L C 0.348 177.263 176.870 0.074 0.000 1.157 171 L CA 0.393 55.288 54.840 0.091 0.000 0.928 171 L CB 0.488 42.649 42.059 0.170 0.000 1.216 171 L HN 0.489 nan 8.230 nan 0.000 0.481 172 S N 6.190 121.926 115.700 0.059 0.000 2.481 172 S HA 0.288 4.757 4.470 -0.001 0.000 0.276 172 S C 0.566 175.159 174.600 -0.011 0.000 1.247 172 S CA -0.729 57.483 58.200 0.019 0.000 1.053 172 S CB 0.194 63.412 63.200 0.030 0.000 0.925 172 S HN 0.652 nan 8.310 nan 0.000 0.491 173 I N 2.964 123.408 120.570 -0.211 0.000 3.531 173 I HA 0.406 4.576 4.170 -0.001 0.000 0.341 173 I C 1.373 176.949 176.117 -0.902 0.000 1.550 173 I CA -0.524 60.432 61.300 -0.573 0.000 1.087 173 I CB 0.318 37.979 38.000 -0.564 0.000 1.408 173 I HN 0.522 nan 8.210 nan 0.000 0.484 174 Q N 2.690 122.220 119.800 -0.451 0.000 2.135 174 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 174 Q C 1.922 177.767 176.000 -0.258 0.000 0.981 174 Q CA 2.747 58.368 55.803 -0.302 0.000 0.856 174 Q CB -0.317 28.391 28.738 -0.049 0.000 0.902 174 Q HN 0.829 nan 8.270 nan 0.000 0.425 175 W N -0.763 120.387 121.300 -0.250 0.000 2.342 175 W HA -0.128 4.532 4.660 -0.001 0.000 0.297 175 W C 1.340 177.713 176.519 -0.244 0.000 1.213 175 W CA 1.115 58.330 57.345 -0.217 0.000 1.251 175 W CB -1.015 28.307 29.460 -0.230 0.000 1.136 175 W HN 0.016 nan 8.180 nan 0.000 0.526 176 V N 1.416 120.591 119.914 -1.232 0.000 2.358 176 V HA -0.331 3.789 4.120 -0.001 0.000 0.246 176 V C 2.401 178.209 176.094 -0.476 0.000 1.047 176 V CA 2.079 63.678 62.300 -1.167 0.000 1.035 176 V CB -1.395 29.509 31.823 -1.532 0.000 0.658 176 V HN 0.175 nan 8.190 nan 0.000 0.452 177 Y N 0.368 120.428 120.300 -0.400 0.000 2.293 177 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 177 Y C 2.678 178.510 175.900 -0.112 0.000 1.137 177 Y CA 0.788 58.763 58.100 -0.208 0.000 1.202 177 Y CB -0.302 38.073 38.460 -0.142 0.000 0.990 177 Y HN 0.329 nan 8.280 nan 0.000 0.537 178 N N 0.722 119.450 118.700 0.046 0.000 2.166 178 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 178 N C 1.678 177.211 175.510 0.038 0.000 1.019 178 N CA 1.274 54.353 53.050 0.049 0.000 0.856 178 N CB -0.372 38.146 38.487 0.052 0.000 0.993 178 N HN 0.396 nan 8.380 nan 0.000 0.426 179 I N 0.621 121.199 120.570 0.014 0.000 2.252 179 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 179 I C 1.976 178.101 176.117 0.013 0.000 1.102 179 I CA 0.700 62.010 61.300 0.017 0.000 1.385 179 I CB -0.161 37.846 38.000 0.011 0.000 1.064 179 I HN 0.045 nan 8.210 nan 0.000 0.414 180 L N 0.806 122.034 121.223 0.009 0.000 2.083 180 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 180 L C 1.328 178.289 176.870 0.151 0.000 1.083 180 L CA 1.472 56.345 54.840 0.056 0.000 0.752 180 L CB -0.615 41.500 42.059 0.093 0.000 0.899 180 L HN 0.441 nan 8.230 nan 0.000 0.433 181 D N -1.985 118.472 120.400 0.095 0.000 2.388 181 D HA 0.041 4.681 4.640 -0.001 0.000 0.221 181 D C 0.365 176.692 176.300 0.045 0.000 1.133 181 D CA -0.286 53.756 54.000 0.069 0.000 0.831 181 D CB 0.028 40.852 40.800 0.040 0.000 0.962 181 D HN 0.083 nan 8.370 nan 0.000 0.502 182 K N -0.705 119.722 120.400 0.045 0.000 3.341 182 K HA -0.229 4.091 4.320 -0.001 0.000 0.305 182 K C 1.062 177.676 176.600 0.023 0.000 1.270 182 K CA 0.507 56.812 56.287 0.030 0.000 0.897 182 K CB -0.942 31.571 32.500 0.022 0.000 1.264 182 K HN 0.038 nan 8.250 nan 0.000 0.468 183 K N 0.438 120.855 120.400 0.028 0.000 2.148 183 K HA 0.021 4.341 4.320 -0.001 0.000 0.204 183 K C 0.805 177.419 176.600 0.024 0.000 1.050 183 K CA 1.434 57.735 56.287 0.024 0.000 0.942 183 K CB 0.150 32.668 32.500 0.029 0.000 0.724 183 K HN 0.444 nan 8.250 nan 0.000 0.446 184 A N 0.023 122.862 122.820 0.031 0.000 2.401 184 A HA 0.483 4.802 4.320 -0.001 0.000 0.310 184 A C -0.567 177.036 177.584 0.031 0.000 1.075 184 A CA -0.379 51.677 52.037 0.031 0.000 0.746 184 A CB 0.996 20.022 19.000 0.044 0.000 1.277 184 A HN 0.310 nan 8.150 nan 0.000 0.425 185 E N -0.373 119.841 120.200 0.023 0.000 2.868 185 E HA -0.288 4.062 4.350 -0.001 0.000 0.278 185 E C 1.101 177.714 176.600 0.022 0.000 1.009 185 E CA 0.615 57.029 56.400 0.023 0.000 0.856 185 E CB -1.690 28.033 29.700 0.037 0.000 1.428 185 E HN 1.046 nan 8.360 nan 0.000 0.423 186 A N 0.485 123.314 122.820 0.016 0.000 1.969 186 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 186 A C 1.679 179.268 177.584 0.008 0.000 1.169 186 A CA 1.576 53.620 52.037 0.011 0.000 0.635 186 A CB -0.016 18.988 19.000 0.006 0.000 0.810 186 A HN 0.239 nan 8.150 nan 0.000 0.445 187 D N -0.346 120.057 120.400 0.006 0.000 2.311 187 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 187 D C 1.823 178.129 176.300 0.010 0.000 0.972 187 D CA 0.905 54.907 54.000 0.003 0.000 0.887 187 D CB -0.177 40.622 40.800 -0.002 0.000 0.915 187 D HN 0.514 nan 8.370 nan 0.000 0.497 188 R N -0.236 120.277 120.500 0.021 0.000 2.290 188 R HA 0.234 4.574 4.340 -0.001 0.000 0.197 188 R C 0.695 177.030 176.300 0.058 0.000 0.913 188 R CA -0.214 55.909 56.100 0.038 0.000 1.040 188 R CB 0.657 30.981 30.300 0.040 0.000 0.992 188 R HN 0.118 nan 8.270 nan 0.000 0.500 189 I N 1.567 122.163 120.570 0.043 0.000 2.662 189 I HA -0.134 4.036 4.170 -0.001 0.000 0.285 189 I C 1.419 177.571 176.117 0.059 0.000 1.161 189 I CA 0.081 61.409 61.300 0.046 0.000 1.415 189 I CB 1.175 39.182 38.000 0.010 0.000 1.385 189 I HN -0.093 nan 8.210 nan 0.000 0.552 190 V N 7.455 127.433 119.914 0.106 0.000 2.599 190 V HA 0.055 4.175 4.120 -0.001 0.000 0.245 190 V C 0.201 176.403 176.094 0.179 0.000 1.046 190 V CA 0.947 63.323 62.300 0.126 0.000 1.065 190 V CB -0.168 31.765 31.823 0.183 0.000 0.703 190 V HN 0.642 nan 8.190 nan 0.000 0.464 191 F N -0.353 119.576 119.950 -0.035 0.000 2.688 191 F HA 0.575 5.102 4.527 -0.001 0.000 0.308 191 F C -1.087 174.601 175.800 -0.186 0.000 1.117 191 F CA -0.773 57.175 58.000 -0.087 0.000 0.976 191 F CB 1.616 40.583 39.000 -0.055 0.000 1.291 191 F HN -0.024 nan 8.300 nan 0.000 0.439 192 E N 4.132 123.847 120.200 -0.809 0.000 2.287 192 E HA 0.232 4.582 4.350 -0.001 0.000 0.274 192 E C -2.024 174.085 176.600 -0.818 0.000 0.896 192 E CA -0.832 55.179 56.400 -0.647 0.000 0.788 192 E CB 1.371 30.890 29.700 -0.301 0.000 1.244 192 E HN 0.552 nan 8.360 nan 0.000 0.408 193 N N 5.797 124.072 118.700 -0.707 0.000 2.406 193 N HA 0.190 4.930 4.740 -0.001 0.000 0.251 193 N C -1.858 173.598 175.510 -0.089 0.000 1.069 193 N CA -2.143 50.721 53.050 -0.310 0.000 0.947 193 N CB 1.387 39.823 38.487 -0.086 0.000 1.111 193 N HN 0.397 nan 8.380 nan 0.000 0.497 194 P HA 0.011 nan 4.420 nan 0.000 0.249 194 P C -0.163 177.039 177.300 -0.163 0.000 1.229 194 P CA 0.080 63.110 63.100 -0.116 0.000 0.788 194 P CB 0.178 31.796 31.700 -0.138 0.000 1.072 195 D N 2.117 122.496 120.400 -0.035 0.000 2.434 195 D HA -0.008 4.631 4.640 -0.001 0.000 0.252 195 D C -1.203 175.092 176.300 -0.009 0.000 1.185 195 D CA -1.322 52.671 54.000 -0.012 0.000 0.886 195 D CB 1.323 42.156 40.800 0.054 0.000 1.148 195 D HN 0.054 nan 8.370 nan 0.000 0.483 196 P HA -0.100 nan 4.420 nan 0.000 0.220 196 P C 1.181 178.518 177.300 0.063 0.000 1.148 196 P CA 0.631 63.708 63.100 -0.040 0.000 0.803 196 P CB 0.368 32.034 31.700 -0.058 0.000 0.782 197 S N -1.113 114.627 115.700 0.066 0.000 2.412 197 S HA -0.000 4.469 4.470 -0.001 0.000 0.223 197 S C 1.150 175.828 174.600 0.131 0.000 1.048 197 S CA 0.730 58.983 58.200 0.088 0.000 0.954 197 S CB -0.441 62.793 63.200 0.056 0.000 0.840 197 S HN -0.058 nan 8.310 nan 0.000 0.503 198 D N 0.775 121.259 120.400 0.140 0.000 2.431 198 D HA 0.320 4.960 4.640 -0.001 0.000 0.213 198 D C 0.573 177.030 176.300 0.262 0.000 1.130 198 D CA 0.092 54.197 54.000 0.174 0.000 0.834 198 D CB 0.554 41.438 40.800 0.139 0.000 0.985 198 D HN 0.401 nan 8.370 nan 0.000 0.504 199 G N 0.314 109.286 108.800 0.287 0.000 2.557 199 G HA2 0.631 4.590 3.960 -0.001 0.000 0.302 199 G HA3 0.631 4.590 3.960 -0.001 0.000 0.302 199 G C -0.554 174.649 174.900 0.506 0.000 1.311 199 G CA -0.656 44.668 45.100 0.374 0.000 1.030 199 G HN 0.121 nan 8.290 nan 0.000 0.509 200 F N -3.267 116.814 119.950 0.218 0.000 2.807 200 F HA 0.655 5.182 4.527 -0.001 0.000 0.316 200 F C -1.557 174.241 175.800 -0.002 0.000 1.162 200 F CA -1.404 56.633 58.000 0.062 0.000 0.910 200 F CB 1.446 40.519 39.000 0.121 0.000 1.314 200 F HN 0.449 nan 8.300 nan 0.000 0.454 201 V N 2.509 122.420 119.914 -0.005 0.000 2.483 201 V HA 0.504 4.623 4.120 -0.001 0.000 0.297 201 V C -1.135 175.074 176.094 0.192 0.000 1.027 201 V CA -0.605 61.665 62.300 -0.051 0.000 0.855 201 V CB 1.589 33.342 31.823 -0.116 0.000 0.995 201 V HN 0.778 nan 8.190 nan 0.000 0.424 202 L N 7.736 129.084 121.223 0.210 0.000 2.264 202 L HA 0.727 5.066 4.340 -0.001 0.000 0.289 202 L C -0.406 176.565 176.870 0.168 0.000 1.044 202 L CA 0.258 55.244 54.840 0.243 0.000 0.807 202 L CB 0.831 43.052 42.059 0.270 0.000 1.192 202 L HN 0.663 nan 8.230 nan 0.000 0.425 203 I N 2.854 123.521 120.570 0.161 0.000 2.828 203 I HA 0.689 4.859 4.170 -0.001 0.000 0.302 203 I C -2.623 173.608 176.117 0.189 0.000 1.101 203 I CA -2.477 58.916 61.300 0.156 0.000 1.031 203 I CB 2.087 40.160 38.000 0.121 0.000 1.231 203 I HN 0.355 nan 8.210 nan 0.000 0.427 204 P HA 0.141 nan 4.420 nan 0.000 0.276 204 P C -0.877 176.542 177.300 0.199 0.000 1.230 204 P CA 0.091 63.376 63.100 0.307 0.000 0.776 204 P CB 0.553 32.456 31.700 0.340 0.000 0.888 205 D N 1.509 122.016 120.400 0.178 0.000 2.506 205 D HA -0.067 4.573 4.640 -0.001 0.000 0.234 205 D C 1.327 177.647 176.300 0.033 0.000 1.143 205 D CA 0.258 54.253 54.000 -0.008 0.000 0.871 205 D CB 0.413 41.022 40.800 -0.318 0.000 1.190 205 D HN 0.258 nan 8.370 nan 0.000 0.459 206 L N 2.824 124.025 121.223 -0.037 0.000 2.127 206 L HA -0.199 4.141 4.340 -0.001 0.000 0.211 206 L C 2.271 179.135 176.870 -0.009 0.000 1.089 206 L CA 1.427 56.246 54.840 -0.034 0.000 0.757 206 L CB -0.437 41.570 42.059 -0.086 0.000 0.899 206 L HN 0.599 nan 8.230 nan 0.000 0.434 207 K N -1.506 118.898 120.400 0.006 0.000 2.314 207 K HA -0.137 4.183 4.320 -0.001 0.000 0.198 207 K C 0.665 177.342 176.600 0.128 0.000 1.045 207 K CA -0.209 56.106 56.287 0.047 0.000 0.988 207 K CB -0.206 32.323 32.500 0.049 0.000 0.783 207 K HN 0.055 nan 8.250 nan 0.000 0.484 208 W N 5.386 126.655 121.300 -0.052 0.000 2.529 208 W HA 0.067 4.726 4.660 -0.001 0.000 0.319 208 W C 0.191 176.683 176.519 -0.045 0.000 1.362 208 W CA -0.806 56.509 57.345 -0.049 0.000 1.348 208 W CB 0.126 29.564 29.460 -0.036 0.000 1.403 208 W HN 0.293 nan 8.180 nan 0.000 0.519 209 N N 2.806 121.358 118.700 -0.248 0.000 2.515 209 N HA -0.175 4.565 4.740 -0.001 0.000 0.185 209 N C 0.613 175.751 175.510 -0.620 0.000 1.109 209 N CA 1.257 54.106 53.050 -0.334 0.000 0.903 209 N CB -0.163 38.228 38.487 -0.160 0.000 0.969 209 N HN 0.724 nan 8.380 nan 0.000 0.450 210 Q N -2.080 116.915 119.800 -1.341 0.000 2.342 210 Q HA -0.294 4.045 4.340 -0.001 0.000 0.196 210 Q C 0.517 176.186 176.000 -0.552 0.000 0.629 210 Q CA 1.418 56.355 55.803 -1.443 0.000 1.365 210 Q CB -1.797 26.355 28.738 -0.977 0.000 1.406 210 Q HN 0.590 nan 8.270 nan 0.000 0.840 211 Q N 0.374 119.983 119.800 -0.319 0.000 2.432 211 Q HA -0.038 4.302 4.340 -0.001 0.000 0.205 211 Q C 0.691 176.684 176.000 -0.012 0.000 0.945 211 Q CA 0.953 56.686 55.803 -0.118 0.000 0.924 211 Q CB 0.361 29.048 28.738 -0.085 0.000 1.016 211 Q HN 0.400 nan 8.270 nan 0.000 0.503 212 Q N -1.105 118.732 119.800 0.062 0.000 2.511 212 Q HA 0.217 4.556 4.340 -0.001 0.000 0.289 212 Q C -0.185 175.975 176.000 0.266 0.000 1.021 212 Q CA -0.555 55.329 55.803 0.134 0.000 0.785 212 Q CB 0.630 29.423 28.738 0.093 0.000 1.472 212 Q HN 0.108 nan 8.270 nan 0.000 0.411 213 L N 0.398 121.720 121.223 0.165 0.000 2.585 213 L HA 0.105 4.444 4.340 -0.001 0.000 0.226 213 L C 0.500 177.347 176.870 -0.037 0.000 1.113 213 L CA 0.208 55.111 54.840 0.106 0.000 0.876 213 L CB 0.047 42.162 42.059 0.093 0.000 1.072 213 L HN 0.558 nan 8.230 nan 0.000 0.468 214 D N 1.127 121.514 120.400 -0.022 0.000 2.149 214 D HA -0.190 4.450 4.640 -0.001 0.000 0.198 214 D C 1.032 177.210 176.300 -0.203 0.000 0.990 214 D CA 1.468 55.424 54.000 -0.073 0.000 0.839 214 D CB -0.040 40.746 40.800 -0.024 0.000 0.948 214 D HN 0.431 nan 8.370 nan 0.000 0.460 215 D N -0.056 120.131 120.400 -0.355 0.000 2.788 215 D HA 0.024 4.664 4.640 -0.001 0.000 0.289 215 D C 0.229 175.913 176.300 -1.028 0.000 1.340 215 D CA -0.527 52.946 54.000 -0.879 0.000 0.831 215 D CB -0.793 39.377 40.800 -1.050 0.000 1.103 215 D HN 0.154 nan 8.370 nan 0.000 0.476 216 L N 1.285 121.928 121.223 -0.965 0.000 2.601 216 L HA 0.094 4.434 4.340 -0.001 0.000 0.277 216 L C -1.321 174.907 176.870 -1.071 0.000 1.219 216 L CA 0.377 54.257 54.840 -1.599 0.000 0.915 216 L CB 0.134 41.622 42.059 -0.951 0.000 1.160 216 L HN 0.085 nan 8.230 nan 0.000 0.494 217 Y N 5.604 125.133 120.300 -1.284 0.000 2.330 217 Y HA 0.593 5.143 4.550 -0.001 0.000 0.324 217 Y C -1.426 174.375 175.900 -0.164 0.000 1.093 217 Y CA -1.070 56.779 58.100 -0.419 0.000 1.103 217 Y CB 1.312 39.668 38.460 -0.173 0.000 1.183 217 Y HN 0.487 nan 8.280 nan 0.000 0.433 218 L N 6.390 127.804 121.223 0.318 0.000 2.354 218 L HA 0.691 5.030 4.340 -0.001 0.000 0.264 218 L C -0.709 176.366 176.870 0.341 0.000 1.008 218 L CA -0.891 54.117 54.840 0.280 0.000 0.819 218 L CB 2.492 44.634 42.059 0.138 0.000 1.339 218 L HN 0.610 nan 8.230 nan 0.000 0.420 219 I N 0.070 120.777 120.570 0.228 0.000 2.569 219 I HA 0.920 5.090 4.170 -0.001 0.000 0.296 219 I C -0.864 175.383 176.117 0.216 0.000 1.028 219 I CA -0.578 60.838 61.300 0.193 0.000 1.082 219 I CB 2.070 40.092 38.000 0.037 0.000 1.264 219 I HN 0.632 nan 8.210 nan 0.000 0.429 220 A N 7.821 130.805 122.820 0.272 0.000 2.271 220 A HA 0.753 5.072 4.320 -0.001 0.000 0.317 220 A C -0.675 177.066 177.584 0.261 0.000 1.245 220 A CA -0.578 51.639 52.037 0.302 0.000 0.857 220 A CB 0.397 19.560 19.000 0.271 0.000 1.175 220 A HN 0.705 nan 8.150 nan 0.000 0.512 221 I N 3.078 123.809 120.570 0.268 0.000 2.354 221 I HA 0.248 4.417 4.170 -0.001 0.000 0.292 221 I C 0.494 176.760 176.117 0.249 0.000 0.989 221 I CA -0.619 60.835 61.300 0.257 0.000 1.188 221 I CB 1.425 39.525 38.000 0.167 0.000 1.342 221 I HN 0.821 nan 8.210 nan 0.000 0.457 222 C N 4.306 123.764 119.300 0.262 0.000 2.652 222 C HA 0.223 4.682 4.460 -0.001 0.000 0.412 222 C C 1.749 176.903 174.990 0.274 0.000 1.294 222 C CA -0.402 58.759 59.018 0.238 0.000 2.127 222 C CB 0.317 28.132 27.740 0.126 0.000 2.691 222 C HN 0.782 nan 8.230 nan 0.000 0.615 223 H N 0.704 119.921 119.070 0.245 0.000 2.389 223 H HA 0.048 4.604 4.556 -0.001 0.000 0.299 223 H C 1.386 176.821 175.328 0.178 0.000 1.081 223 H CA 1.446 57.607 56.048 0.188 0.000 1.345 223 H CB -0.011 29.818 29.762 0.112 0.000 1.393 223 H HN 0.689 nan 8.280 nan 0.000 0.520 224 R N 1.540 122.198 120.500 0.264 0.000 2.590 224 R HA 0.096 4.435 4.340 -0.001 0.000 0.274 224 R C -0.247 176.124 176.300 0.117 0.000 1.061 224 R CA -0.097 56.099 56.100 0.160 0.000 1.081 224 R CB 0.614 30.991 30.300 0.129 0.000 0.984 224 R HN 0.148 nan 8.270 nan 0.000 0.448 225 R N 1.276 121.846 120.500 0.117 0.000 2.596 225 R HA 0.335 4.675 4.340 -0.001 0.000 0.267 225 R C 0.579 176.921 176.300 0.071 0.000 1.026 225 R CA 0.198 56.383 56.100 0.141 0.000 1.087 225 R CB 1.471 31.839 30.300 0.114 0.000 1.132 225 R HN 0.958 nan 8.270 nan 0.000 0.531 226 G N 0.873 109.728 108.800 0.092 0.000 2.175 226 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.244 226 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.244 226 G C 0.133 175.052 174.900 0.033 0.000 0.982 226 G CA -0.324 44.824 45.100 0.081 0.000 0.641 226 G HN 0.493 nan 8.290 nan 0.000 0.527 227 I N 1.732 122.264 120.570 -0.063 0.000 2.256 227 I HA 0.241 4.411 4.170 -0.001 0.000 0.294 227 I C 1.873 177.940 176.117 -0.083 0.000 1.127 227 I CA -0.628 60.593 61.300 -0.131 0.000 1.247 227 I CB 0.455 38.291 38.000 -0.272 0.000 1.460 227 I HN 0.078 nan 8.210 nan 0.000 0.511 228 R N 2.807 123.328 120.500 0.035 0.000 2.091 228 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 228 R C 0.843 177.225 176.300 0.136 0.000 1.136 228 R CA 1.419 57.618 56.100 0.165 0.000 0.959 228 R CB -0.059 30.386 30.300 0.241 0.000 0.856 228 R HN 0.799 nan 8.270 nan 0.000 0.437 229 S N -2.497 113.218 115.700 0.025 0.000 2.680 229 S HA 0.053 4.523 4.470 -0.001 0.000 0.276 229 S C 0.383 174.884 174.600 -0.164 0.000 1.189 229 S CA -0.870 57.309 58.200 -0.035 0.000 0.909 229 S CB 0.199 63.503 63.200 0.174 0.000 1.227 229 S HN -0.045 nan 8.310 nan 0.000 0.501 230 L N 1.502 122.599 121.223 -0.210 0.000 2.051 230 L HA -0.036 4.304 4.340 -0.001 0.000 0.214 230 L C 2.769 179.380 176.870 -0.431 0.000 1.076 230 L CA 1.861 56.425 54.840 -0.461 0.000 0.758 230 L CB -0.796 40.908 42.059 -0.592 0.000 0.890 230 L HN 0.647 nan 8.230 nan 0.000 0.433 231 R N -0.420 119.859 120.500 -0.368 0.000 2.159 231 R HA -0.129 4.211 4.340 -0.001 0.000 0.237 231 R C 1.385 177.587 176.300 -0.163 0.000 1.131 231 R CA 1.261 57.133 56.100 -0.380 0.000 0.982 231 R CB -0.772 29.038 30.300 -0.817 0.000 0.868 231 R HN 0.479 nan 8.270 nan 0.000 0.453 232 D N 0.060 120.389 120.400 -0.118 0.000 2.350 232 D HA 0.078 4.718 4.640 -0.001 0.000 0.213 232 D C 0.437 176.701 176.300 -0.060 0.000 1.031 232 D CA 0.081 54.057 54.000 -0.040 0.000 0.861 232 D CB 0.262 41.039 40.800 -0.039 0.000 0.926 232 D HN 0.090 nan 8.370 nan 0.000 0.520 233 L N 1.383 122.516 121.223 -0.151 0.000 2.410 233 L HA 0.169 4.509 4.340 -0.001 0.000 0.273 233 L C 1.036 178.019 176.870 0.187 0.000 1.152 233 L CA 0.221 55.017 54.840 -0.073 0.000 0.855 233 L CB 0.584 42.507 42.059 -0.226 0.000 1.129 233 L HN -0.021 nan 8.230 nan 0.000 0.463 234 T N -0.607 114.183 114.554 0.392 0.000 2.838 234 T HA 0.416 4.765 4.350 -0.001 0.000 0.292 234 T C -2.307 172.474 174.700 0.136 0.000 1.113 234 T CA -1.806 60.416 62.100 0.203 0.000 1.008 234 T CB 1.900 70.841 68.868 0.121 0.000 1.259 234 T HN 0.174 nan 8.240 nan 0.000 0.520 235 P HA -0.084 nan 4.420 nan 0.000 0.220 235 P C 1.237 178.522 177.300 -0.025 0.000 1.144 235 P CA 0.964 64.082 63.100 0.030 0.000 0.800 235 P CB 0.073 31.786 31.700 0.021 0.000 0.772 236 E N -0.712 119.417 120.200 -0.119 0.000 2.204 236 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 236 E C 0.828 177.261 176.600 -0.280 0.000 0.990 236 E CA 1.029 57.285 56.400 -0.240 0.000 0.821 236 E CB -0.232 29.238 29.700 -0.383 0.000 0.750 236 E HN 0.451 nan 8.360 nan 0.000 0.477 237 H N -0.604 118.473 119.070 0.012 0.000 2.539 237 H HA 0.139 4.694 4.556 -0.001 0.000 0.269 237 H C 1.748 177.080 175.328 0.007 0.000 0.980 237 H CA -0.149 55.902 56.048 0.005 0.000 1.152 237 H CB 0.327 30.078 29.762 -0.018 0.000 1.407 237 H HN 0.108 nan 8.280 nan 0.000 0.564 238 L N 0.979 122.252 121.223 0.083 0.000 1.989 238 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 238 L C -0.463 176.449 176.870 0.070 0.000 1.071 238 L CA 1.429 56.309 54.840 0.066 0.000 0.749 238 L CB -0.984 41.103 42.059 0.048 0.000 0.890 238 L HN 0.284 nan 8.230 nan 0.000 0.431 239 P HA -0.210 nan 4.420 nan 0.000 0.216 239 P C 1.633 178.996 177.300 0.106 0.000 1.150 239 P CA 1.151 64.300 63.100 0.082 0.000 0.837 239 P CB 0.022 31.763 31.700 0.069 0.000 0.786 240 L N -0.971 120.318 121.223 0.110 0.000 2.027 240 L HA -0.111 4.228 4.340 -0.001 0.000 0.206 240 L C 2.147 179.053 176.870 0.061 0.000 1.074 240 L CA 1.794 56.708 54.840 0.122 0.000 0.745 240 L CB -1.394 40.749 42.059 0.139 0.000 0.898 240 L HN -0.131 nan 8.230 nan 0.000 0.433 241 L N -0.891 120.353 121.223 0.036 0.000 2.056 241 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 241 L C 2.763 179.616 176.870 -0.028 0.000 1.078 241 L CA 1.245 56.068 54.840 -0.028 0.000 0.749 241 L CB -0.516 41.528 42.059 -0.027 0.000 0.901 241 L HN 0.219 nan 8.230 nan 0.000 0.433 242 R N -0.134 120.396 120.500 0.051 0.000 2.081 242 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 242 R C 2.197 178.594 176.300 0.161 0.000 1.131 242 R CA 1.370 57.555 56.100 0.143 0.000 0.960 242 R CB -0.333 30.078 30.300 0.186 0.000 0.856 242 R HN 0.361 nan 8.270 nan 0.000 0.436 243 N N 0.766 119.548 118.700 0.136 0.000 2.069 243 N HA -0.139 4.601 4.740 -0.001 0.000 0.191 243 N C 1.813 177.331 175.510 0.013 0.000 1.031 243 N CA 1.305 54.474 53.050 0.199 0.000 0.852 243 N CB -0.165 38.510 38.487 0.312 0.000 1.018 243 N HN 0.200 nan 8.380 nan 0.000 0.423 244 I N 0.787 121.183 120.570 -0.289 0.000 2.226 244 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 244 I C 2.378 178.359 176.117 -0.225 0.000 1.100 244 I CA 0.729 61.618 61.300 -0.684 0.000 1.374 244 I CB -0.160 37.539 38.000 -0.501 0.000 1.057 244 I HN 0.148 nan 8.210 nan 0.000 0.413 245 L N 0.043 121.154 121.223 -0.188 0.000 1.994 245 L HA -0.265 4.074 4.340 -0.001 0.000 0.208 245 L C 2.474 179.203 176.870 -0.235 0.000 1.071 245 L CA 2.045 56.727 54.840 -0.262 0.000 0.745 245 L CB -0.389 41.363 42.059 -0.512 0.000 0.892 245 L HN 0.338 nan 8.230 nan 0.000 0.431 246 H N -1.794 117.299 119.070 0.037 0.000 2.486 246 H HA -0.003 4.553 4.556 -0.001 0.000 0.287 246 H C 2.217 177.562 175.328 0.028 0.000 1.010 246 H CA 0.626 56.699 56.048 0.041 0.000 1.324 246 H CB 0.324 30.111 29.762 0.042 0.000 1.446 246 H HN 0.342 nan 8.280 nan 0.000 0.537 247 Q N 0.077 119.967 119.800 0.151 0.000 2.137 247 Q HA -0.033 4.307 4.340 -0.001 0.000 0.198 247 Q C 2.501 178.380 176.000 -0.201 0.000 0.960 247 Q CA 0.931 56.767 55.803 0.055 0.000 0.847 247 Q CB 0.064 29.025 28.738 0.373 0.000 0.915 247 Q HN 0.528 nan 8.270 nan 0.000 0.448 248 G N 1.064 109.812 108.800 -0.086 0.000 2.446 248 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.217 248 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.217 248 G C 1.286 176.030 174.900 -0.260 0.000 1.168 248 G CA 0.613 45.541 45.100 -0.288 0.000 0.771 248 G HN 0.270 nan 8.290 nan 0.000 0.551 249 Q N -0.438 119.358 119.800 -0.008 0.000 2.084 249 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 249 Q C 2.483 178.467 176.000 -0.026 0.000 0.978 249 Q CA 1.402 57.231 55.803 0.043 0.000 0.844 249 Q CB -0.108 28.688 28.738 0.097 0.000 0.898 249 Q HN 0.471 nan 8.270 nan 0.000 0.426 250 E N 0.661 120.821 120.200 -0.065 0.000 2.150 250 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 250 E C 1.657 178.171 176.600 -0.143 0.000 0.985 250 E CA 1.277 57.635 56.400 -0.070 0.000 0.814 250 E CB -0.183 29.493 29.700 -0.041 0.000 0.752 250 E HN 0.333 nan 8.360 nan 0.000 0.466 251 A N 0.371 122.995 122.820 -0.327 0.000 1.902 251 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 251 A C 2.348 179.856 177.584 -0.126 0.000 1.181 251 A CA 1.488 53.320 52.037 -0.342 0.000 0.623 251 A CB -0.631 17.971 19.000 -0.664 0.000 0.818 251 A HN 0.338 nan 8.150 nan 0.000 0.443 252 I N -0.451 120.075 120.570 -0.073 0.000 2.353 252 I HA -0.178 3.992 4.170 -0.001 0.000 0.248 252 I C 2.394 178.576 176.117 0.109 0.000 1.119 252 I CA 0.623 61.982 61.300 0.099 0.000 1.417 252 I CB -0.139 37.928 38.000 0.111 0.000 1.078 252 I HN 0.337 nan 8.210 nan 0.000 0.421 253 L N 0.347 121.600 121.223 0.051 0.000 2.042 253 L HA -0.265 4.075 4.340 -0.001 0.000 0.210 253 L C 2.582 179.470 176.870 0.031 0.000 1.076 253 L CA 1.802 56.675 54.840 0.055 0.000 0.749 253 L CB -0.376 41.705 42.059 0.036 0.000 0.893 253 L HN 0.414 nan 8.230 nan 0.000 0.432 254 Q N -0.631 119.165 119.800 -0.006 0.000 2.049 254 Q HA -0.239 4.101 4.340 -0.001 0.000 0.198 254 Q C 2.278 178.236 176.000 -0.070 0.000 0.971 254 Q CA 1.393 57.183 55.803 -0.021 0.000 0.833 254 Q CB 0.100 28.831 28.738 -0.011 0.000 0.896 254 Q HN 0.296 nan 8.270 nan 0.000 0.434 255 R N -0.418 119.981 120.500 -0.168 0.000 2.062 255 R HA -0.104 4.235 4.340 -0.001 0.000 0.229 255 R C 1.153 177.182 176.300 -0.451 0.000 1.128 255 R CA 1.698 57.549 56.100 -0.415 0.000 0.960 255 R CB -0.276 29.583 30.300 -0.736 0.000 0.855 255 R HN 0.295 nan 8.270 nan 0.000 0.432 256 Y N -0.434 119.921 120.300 0.091 0.000 2.481 256 Y HA 0.382 4.932 4.550 -0.000 0.000 0.247 256 Y C 0.087 176.044 175.900 0.096 0.000 1.151 256 Y CA -0.590 57.581 58.100 0.118 0.000 1.238 256 Y CB 0.727 39.288 38.460 0.168 0.000 1.179 256 Y HN -0.135 nan 8.280 nan 0.000 0.524 257 R N 0.100 120.703 120.500 0.171 0.000 3.651 257 R HA -0.227 4.113 4.340 -0.001 0.000 0.292 257 R C -0.375 176.013 176.300 0.147 0.000 1.161 257 R CA 0.727 56.904 56.100 0.128 0.000 0.787 257 R CB -2.200 28.165 30.300 0.108 0.000 1.249 257 R HN 0.456 nan 8.270 nan 0.000 0.476 258 M N 1.161 120.866 119.600 0.175 0.000 2.149 258 M HA 0.245 4.725 4.480 -0.001 0.000 0.342 258 M C 0.143 176.524 176.300 0.135 0.000 1.068 258 M CA -0.239 55.168 55.300 0.179 0.000 0.991 258 M CB 0.983 33.693 32.600 0.183 0.000 1.596 258 M HN -0.058 nan 8.290 nan 0.000 0.439 259 K N 2.438 122.896 120.400 0.097 0.000 2.276 259 K HA 0.159 4.479 4.320 -0.001 0.000 0.259 259 K C 1.171 177.812 176.600 0.069 0.000 1.001 259 K CA 0.335 56.647 56.287 0.041 0.000 0.927 259 K CB 0.519 32.992 32.500 -0.046 0.000 0.969 259 K HN 0.960 nan 8.250 nan 0.000 0.490 260 G N 1.548 110.381 108.800 0.056 0.000 2.432 260 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.219 260 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.219 260 G C 0.901 175.839 174.900 0.064 0.000 1.135 260 G CA 1.054 46.196 45.100 0.071 0.000 0.767 260 G HN 0.847 nan 8.290 nan 0.000 0.550 261 D N -0.832 119.587 120.400 0.032 0.000 2.363 261 D HA -0.052 4.588 4.640 -0.001 0.000 0.226 261 D C 1.232 177.585 176.300 0.088 0.000 1.020 261 D CA 0.325 54.340 54.000 0.027 0.000 0.892 261 D CB -0.839 39.950 40.800 -0.018 0.000 0.900 261 D HN 0.522 nan 8.370 nan 0.000 0.531 262 H N -0.611 118.474 119.070 0.024 0.000 2.505 262 H HA 0.348 4.904 4.556 -0.001 0.000 0.289 262 H C -0.216 175.122 175.328 0.016 0.000 1.052 262 H CA -0.361 55.699 56.048 0.020 0.000 1.156 262 H CB 0.504 30.280 29.762 0.025 0.000 1.507 262 H HN -0.004 nan 8.280 nan 0.000 0.548 263 L N 1.509 122.809 121.223 0.129 0.000 2.376 263 L HA 0.351 4.691 4.340 -0.001 0.000 0.275 263 L C -0.127 176.762 176.870 0.032 0.000 0.987 263 L CA -0.651 54.234 54.840 0.076 0.000 0.828 263 L CB 2.462 44.589 42.059 0.114 0.000 1.249 263 L HN 0.088 nan 8.230 nan 0.000 0.409 264 R N 3.167 123.678 120.500 0.019 0.000 2.248 264 R HA 0.496 4.835 4.340 -0.001 0.000 0.328 264 R C -1.351 174.958 176.300 0.015 0.000 1.067 264 R CA -0.341 55.776 56.100 0.027 0.000 0.924 264 R CB 0.845 31.167 30.300 0.036 0.000 1.013 264 R HN 0.421 nan 8.270 nan 0.000 0.454 265 V N 7.010 126.877 119.914 -0.079 0.000 2.409 265 V HA 0.464 4.583 4.120 -0.001 0.000 0.291 265 V C -1.012 174.981 176.094 -0.168 0.000 1.020 265 V CA -0.681 61.400 62.300 -0.366 0.000 0.848 265 V CB 0.905 32.370 31.823 -0.597 0.000 0.990 265 V HN 0.818 nan 8.190 nan 0.000 0.430 266 Y N 3.386 123.499 120.300 -0.313 0.000 2.656 266 Y HA 0.857 5.407 4.550 -0.001 0.000 0.334 266 Y C -1.681 174.143 175.900 -0.126 0.000 1.179 266 Y CA -1.632 56.352 58.100 -0.192 0.000 1.050 266 Y CB 1.244 39.607 38.460 -0.161 0.000 1.308 266 Y HN 0.371 nan 8.280 nan 0.000 0.456 267 L N 1.784 123.058 121.223 0.084 0.000 2.334 267 L HA 0.528 4.868 4.340 -0.001 0.000 0.270 267 L C -0.541 176.469 176.870 0.233 0.000 1.018 267 L CA -0.657 54.204 54.840 0.036 0.000 0.811 267 L CB 1.482 43.492 42.059 -0.082 0.000 1.271 267 L HN 0.776 nan 8.230 nan 0.000 0.443 268 H N -0.118 119.036 119.070 0.141 0.000 2.467 268 H HA 0.310 4.865 4.556 -0.000 0.000 0.326 268 H C -1.448 173.925 175.328 0.076 0.000 1.094 268 H CA -0.530 55.600 56.048 0.137 0.000 1.253 268 H CB 1.355 31.166 29.762 0.081 0.000 1.439 268 H HN 0.450 nan 8.280 nan 0.000 0.479 269 Y N 3.403 123.802 120.300 0.165 0.000 2.360 269 Y HA 0.212 4.762 4.550 -0.001 0.000 0.337 269 Y C -0.751 175.044 175.900 -0.175 0.000 1.039 269 Y CA -1.248 56.811 58.100 -0.068 0.000 1.109 269 Y CB 0.605 38.974 38.460 -0.151 0.000 1.201 269 Y HN 0.620 nan 8.280 nan 0.000 0.458 270 L N 6.679 127.009 121.223 -1.489 0.000 3.386 270 L HA -0.195 4.145 4.340 -0.001 0.000 0.594 270 L C -2.378 174.241 176.870 -0.419 0.000 1.013 270 L CA 0.299 54.610 54.840 -0.881 0.000 1.191 270 L CB -0.998 40.606 42.059 -0.760 0.000 1.210 270 L HN 0.516 nan 8.230 nan 0.000 0.684 271 P HA 0.293 nan 4.420 nan 0.000 0.282 271 P C 0.536 177.646 177.300 -0.318 0.000 1.259 271 P CA -0.172 62.758 63.100 -0.283 0.000 0.826 271 P CB 1.307 32.748 31.700 -0.431 0.000 1.064 272 S N 0.772 116.448 115.700 -0.040 0.000 2.453 272 S HA -0.050 4.419 4.470 -0.001 0.000 0.231 272 S C 0.599 175.297 174.600 0.163 0.000 1.005 272 S CA 0.615 58.866 58.200 0.085 0.000 0.949 272 S CB -1.153 62.178 63.200 0.218 0.000 0.774 272 S HN 0.647 nan 8.310 nan 0.000 0.510 273 Y N -2.593 117.697 120.300 -0.016 0.000 2.597 273 Y HA 0.683 5.232 4.550 -0.001 0.000 0.340 273 Y C -1.355 174.484 175.900 -0.102 0.000 1.097 273 Y CA -2.059 56.065 58.100 0.041 0.000 1.037 273 Y CB 0.546 39.138 38.460 0.221 0.000 1.305 273 Y HN -0.098 nan 8.280 nan 0.000 0.463 274 Y N 1.964 122.410 120.300 0.244 0.000 2.793 274 Y HA 0.343 4.892 4.550 -0.001 0.000 0.374 274 Y C -0.545 175.471 175.900 0.193 0.000 1.135 274 Y CA -0.327 57.851 58.100 0.129 0.000 1.451 274 Y CB 0.063 38.593 38.460 0.116 0.000 1.541 274 Y HN 0.803 nan 8.280 nan 0.000 0.546 275 H N 0.242 119.383 119.070 0.118 0.000 3.181 275 H HA 0.306 4.862 4.556 -0.001 0.000 0.331 275 H C -1.111 174.275 175.328 0.097 0.000 0.988 275 H CA -1.118 55.021 56.048 0.151 0.000 1.449 275 H CB 0.846 30.737 29.762 0.214 0.000 1.749 275 H HN 0.342 nan 8.280 nan 0.000 0.501 276 L N 5.634 126.761 121.223 -0.160 0.000 2.720 276 L HA 0.014 4.354 4.340 -0.001 0.000 0.289 276 L C -0.633 176.235 176.870 -0.003 0.000 1.232 276 L CA 1.312 56.040 54.840 -0.187 0.000 0.915 276 L CB -0.416 41.503 42.059 -0.234 0.000 1.184 276 L HN 0.907 nan 8.230 nan 0.000 0.491 277 H N 1.895 120.890 119.070 -0.126 0.000 2.996 277 H HA 0.758 5.313 4.556 -0.001 0.000 0.368 277 H C -1.399 173.834 175.328 -0.158 0.000 1.185 277 H CA -1.325 54.674 56.048 -0.082 0.000 1.160 277 H CB 0.975 30.718 29.762 -0.032 0.000 1.820 277 H HN 0.253 nan 8.280 nan 0.000 0.547 278 V N 2.578 122.454 119.914 -0.064 0.000 2.555 278 V HA 0.231 4.351 4.120 -0.001 0.000 0.302 278 V C -0.172 175.796 176.094 -0.211 0.000 1.038 278 V CA -0.798 61.388 62.300 -0.190 0.000 0.887 278 V CB 1.492 33.188 31.823 -0.213 0.000 0.991 278 V HN 0.829 nan 8.190 nan 0.000 0.434 279 H N 3.836 122.637 119.070 -0.448 0.000 2.527 279 H HA 0.410 4.966 4.556 -0.001 0.000 0.321 279 H C -1.348 173.623 175.328 -0.594 0.000 1.087 279 H CA -0.083 55.686 56.048 -0.466 0.000 1.337 279 H CB 1.244 30.345 29.762 -1.101 0.000 1.440 279 H HN 0.443 nan 8.280 nan 0.000 0.490 280 F N 1.769 121.622 119.950 -0.161 0.000 2.403 280 F HA 0.190 4.716 4.527 -0.001 0.000 0.355 280 F C 0.535 176.203 175.800 -0.220 0.000 1.119 280 F CA -0.666 57.243 58.000 -0.151 0.000 1.007 280 F CB 1.638 40.592 39.000 -0.077 0.000 1.194 280 F HN 0.371 nan 8.300 nan 0.000 0.443 281 T N -0.057 114.431 114.554 -0.110 0.000 2.908 281 T HA 0.848 5.197 4.350 -0.001 0.000 0.290 281 T C -0.166 174.479 174.700 -0.093 0.000 1.034 281 T CA -1.092 60.889 62.100 -0.198 0.000 1.010 281 T CB 1.810 70.532 68.868 -0.243 0.000 1.068 281 T HN 0.689 nan 8.240 nan 0.000 0.481 282 A N 1.998 124.737 122.820 -0.134 0.000 2.511 282 A HA 0.426 4.746 4.320 -0.001 0.000 0.242 282 A C 1.294 178.858 177.584 -0.033 0.000 1.069 282 A CA -0.585 51.390 52.037 -0.103 0.000 0.763 282 A CB -0.186 18.714 19.000 -0.168 0.000 1.001 282 A HN 1.027 nan 8.150 nan 0.000 0.498 283 L N 3.376 124.568 121.223 -0.052 0.000 2.093 283 L HA 0.060 4.400 4.340 -0.001 0.000 0.208 283 L C 2.260 179.112 176.870 -0.030 0.000 1.085 283 L CA 2.668 57.492 54.840 -0.028 0.000 0.755 283 L CB -0.827 41.236 42.059 0.007 0.000 0.904 283 L HN 0.770 nan 8.230 nan 0.000 0.435 284 G N -1.215 107.550 108.800 -0.059 0.000 2.498 284 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.219 284 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.219 284 G C 0.674 175.618 174.900 0.072 0.000 1.119 284 G CA 0.101 45.190 45.100 -0.019 0.000 0.766 284 G HN 0.366 nan 8.290 nan 0.000 0.552 285 F N 1.385 121.274 119.950 -0.101 0.000 2.413 285 F HA 0.398 4.925 4.527 -0.001 0.000 0.359 285 F C 0.185 175.944 175.800 -0.068 0.000 1.122 285 F CA -0.944 57.008 58.000 -0.079 0.000 1.160 285 F CB 0.705 39.639 39.000 -0.111 0.000 1.146 285 F HN -0.071 nan 8.300 nan 0.000 0.514 286 E N 5.529 125.516 120.200 -0.354 0.000 2.133 286 E HA 0.610 4.959 4.350 -0.001 0.000 0.274 286 E C -1.310 174.947 176.600 -0.572 0.000 0.930 286 E CA -0.614 55.548 56.400 -0.397 0.000 0.770 286 E CB 1.603 31.189 29.700 -0.191 0.000 1.104 286 E HN 0.760 nan 8.360 nan 0.000 0.403 287 A N 4.668 127.158 122.820 -0.550 0.000 2.527 287 A HA 0.703 5.022 4.320 -0.001 0.000 0.293 287 A C -2.623 174.841 177.584 -0.200 0.000 1.117 287 A CA -1.478 50.330 52.037 -0.383 0.000 0.723 287 A CB 1.177 19.917 19.000 -0.433 0.000 1.313 287 A HN 0.420 nan 8.150 nan 0.000 0.411 288 P HA 0.405 nan 4.420 nan 0.000 0.268 288 P C 0.847 178.128 177.300 -0.031 0.000 1.204 288 P CA 1.394 64.451 63.100 -0.072 0.000 0.768 288 P CB 0.954 32.630 31.700 -0.040 0.000 0.842 289 G N 1.876 110.654 108.800 -0.038 0.000 2.699 289 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.198 289 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.198 289 G C 0.834 175.757 174.900 0.039 0.000 1.033 289 G CA 0.281 45.456 45.100 0.125 0.000 0.728 289 G HN 0.641 nan 8.290 nan 0.000 0.484 290 S N 1.163 116.716 115.700 -0.245 0.000 2.605 290 S HA 0.551 5.021 4.470 -0.001 0.000 0.217 290 S C 1.278 175.662 174.600 -0.360 0.000 0.958 290 S CA 0.902 58.767 58.200 -0.559 0.000 0.919 290 S CB 0.387 63.288 63.200 -0.498 0.000 0.780 290 S HN 1.504 nan 8.310 nan 0.000 0.507 291 G N 0.669 109.334 108.800 -0.224 0.000 2.544 291 G HA2 0.351 4.310 3.960 -0.001 0.000 0.242 291 G HA3 0.351 4.310 3.960 -0.001 0.000 0.242 291 G C 0.813 175.609 174.900 -0.174 0.000 1.247 291 G CA -0.285 44.713 45.100 -0.169 0.000 0.840 291 G HN 0.248 nan 8.290 nan 0.000 0.578 292 V N 1.049 120.874 119.914 -0.149 0.000 2.490 292 V HA -0.100 4.019 4.120 -0.001 0.000 0.250 292 V C 2.646 178.663 176.094 -0.128 0.000 1.061 292 V CA 2.400 64.606 62.300 -0.157 0.000 1.064 292 V CB -0.320 31.433 31.823 -0.116 0.000 0.670 292 V HN 0.903 nan 8.190 nan 0.000 0.461 293 E N 0.076 120.236 120.200 -0.067 0.000 2.515 293 E HA -0.236 4.114 4.350 -0.001 0.000 0.201 293 E C 1.961 178.599 176.600 0.063 0.000 1.071 293 E CA 1.158 57.561 56.400 0.005 0.000 0.880 293 E CB -0.059 29.645 29.700 0.006 0.000 0.828 293 E HN 0.650 nan 8.360 nan 0.000 0.540 294 R N -0.405 120.093 120.500 -0.003 0.000 2.725 294 R HA 0.284 4.624 4.340 -0.001 0.000 0.207 294 R C -0.115 176.285 176.300 0.165 0.000 0.924 294 R CA 0.618 56.757 56.100 0.065 0.000 1.098 294 R CB 0.932 31.166 30.300 -0.111 0.000 1.602 294 R HN 0.084 nan 8.270 nan 0.000 0.615 295 A N 1.509 124.303 122.820 -0.044 0.000 2.290 295 A HA 0.464 4.784 4.320 -0.001 0.000 0.310 295 A C -1.189 176.230 177.584 -0.275 0.000 1.202 295 A CA -0.304 51.692 52.037 -0.068 0.000 0.837 295 A CB 0.325 19.000 19.000 -0.542 0.000 1.139 295 A HN 0.346 nan 8.150 nan 0.000 0.509 296 H N 3.021 122.142 119.070 0.086 0.000 2.646 296 H HA 0.286 4.841 4.556 -0.001 0.000 0.328 296 H C -0.834 174.523 175.328 0.047 0.000 0.998 296 H CA -0.489 55.595 56.048 0.061 0.000 1.225 296 H CB 1.282 31.092 29.762 0.081 0.000 1.457 296 H HN 0.555 nan 8.280 nan 0.000 0.505 297 L N 4.009 125.278 121.223 0.076 0.000 2.513 297 L HA -0.072 4.268 4.340 -0.001 0.000 0.272 297 L C 2.048 178.920 176.870 0.004 0.000 1.187 297 L CA 0.035 54.894 54.840 0.032 0.000 0.895 297 L CB 0.824 42.877 42.059 -0.011 0.000 1.147 297 L HN 0.558 nan 8.230 nan 0.000 0.483 298 L N 3.242 124.427 121.223 -0.064 0.000 2.043 298 L HA -0.291 4.048 4.340 -0.001 0.000 0.212 298 L C 2.553 179.367 176.870 -0.093 0.000 1.075 298 L CA 1.808 56.577 54.840 -0.118 0.000 0.752 298 L CB -0.096 41.830 42.059 -0.221 0.000 0.891 298 L HN 0.954 nan 8.230 nan 0.000 0.432 299 A N -0.680 122.087 122.820 -0.088 0.000 1.908 299 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 299 A C 2.136 179.706 177.584 -0.024 0.000 1.181 299 A CA 1.975 53.977 52.037 -0.059 0.000 0.627 299 A CB -0.545 18.427 19.000 -0.048 0.000 0.818 299 A HN 0.538 nan 8.150 nan 0.000 0.445 300 E N -0.610 119.582 120.200 -0.014 0.000 2.152 300 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 300 E C 1.854 178.460 176.600 0.012 0.000 0.983 300 E CA 0.871 57.270 56.400 -0.001 0.000 0.818 300 E CB -0.039 29.669 29.700 0.013 0.000 0.758 300 E HN 0.362 nan 8.360 nan 0.000 0.467 301 V N 0.934 120.864 119.914 0.027 0.000 2.427 301 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 301 V C 2.130 178.244 176.094 0.033 0.000 1.051 301 V CA 1.366 63.698 62.300 0.053 0.000 1.048 301 V CB -0.250 31.527 31.823 -0.077 0.000 0.666 301 V HN 0.314 nan 8.190 nan 0.000 0.456 302 I N -0.375 120.193 120.570 -0.003 0.000 2.286 302 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 302 I C 2.514 178.638 176.117 0.012 0.000 1.104 302 I CA 1.513 62.818 61.300 0.008 0.000 1.397 302 I CB -0.233 37.771 38.000 0.006 0.000 1.072 302 I HN 0.332 nan 8.210 nan 0.000 0.417 303 E N 0.534 120.733 120.200 -0.001 0.000 2.150 303 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 303 E C 1.828 178.401 176.600 -0.045 0.000 0.985 303 E CA 0.784 57.176 56.400 -0.013 0.000 0.814 303 E CB -0.014 29.678 29.700 -0.012 0.000 0.752 303 E HN 0.424 nan 8.360 nan 0.000 0.466 304 N N 0.750 119.394 118.700 -0.094 0.000 2.120 304 N HA -0.142 4.598 4.740 -0.001 0.000 0.188 304 N C 1.874 177.312 175.510 -0.120 0.000 1.024 304 N CA 0.895 53.799 53.050 -0.244 0.000 0.852 304 N CB -0.243 37.878 38.487 -0.610 0.000 1.003 304 N HN 0.150 nan 8.380 nan 0.000 0.424 305 L N 1.155 122.376 121.223 -0.003 0.000 2.083 305 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 305 L C 2.000 178.890 176.870 0.033 0.000 1.083 305 L CA 1.164 56.039 54.840 0.059 0.000 0.752 305 L CB -0.310 41.804 42.059 0.091 0.000 0.899 305 L HN 0.185 nan 8.230 nan 0.000 0.433 306 E N -1.079 119.131 120.200 0.017 0.000 2.204 306 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 306 E C 2.160 178.765 176.600 0.009 0.000 0.989 306 E CA 1.179 57.588 56.400 0.015 0.000 0.824 306 E CB -0.067 29.641 29.700 0.013 0.000 0.756 306 E HN 0.523 nan 8.360 nan 0.000 0.477 307 C N 0.397 119.695 119.300 -0.002 0.000 2.590 307 C HA 0.066 4.525 4.460 -0.001 0.000 0.272 307 C C 0.698 175.694 174.990 0.012 0.000 1.338 307 C CA -0.161 58.857 59.018 -0.000 0.000 1.746 307 C CB -0.155 27.577 27.740 -0.013 0.000 2.020 307 C HN 0.302 nan 8.230 nan 0.000 0.531 308 D N -1.069 119.343 120.400 0.020 0.000 2.584 308 D HA 0.196 4.836 4.640 -0.001 0.000 0.238 308 D C -2.002 174.335 176.300 0.062 0.000 1.302 308 D CA -0.956 53.070 54.000 0.044 0.000 0.884 308 D CB 0.590 41.438 40.800 0.079 0.000 1.456 308 D HN -0.113 nan 8.370 nan 0.000 0.528 309 P HA -0.142 nan 4.420 nan 0.000 0.217 309 P C 0.822 178.172 177.300 0.083 0.000 1.151 309 P CA 1.092 64.229 63.100 0.061 0.000 0.849 309 P CB 0.221 31.945 31.700 0.041 0.000 0.787 310 R N -2.310 118.227 120.500 0.063 0.000 2.388 310 R HA 0.075 4.415 4.340 -0.001 0.000 0.247 310 R C 1.684 178.002 176.300 0.031 0.000 0.931 310 R CA -0.042 56.089 56.100 0.052 0.000 1.082 310 R CB -0.964 29.351 30.300 0.025 0.000 1.135 310 R HN 0.379 nan 8.270 nan 0.000 0.525 311 H N 0.757 119.779 119.070 -0.079 0.000 2.272 311 H HA -0.241 4.314 4.556 -0.001 0.000 0.289 311 H C 0.866 175.998 175.328 -0.327 0.000 1.100 311 H CA 2.315 58.219 56.048 -0.239 0.000 1.209 311 H CB -0.115 29.429 29.762 -0.364 0.000 1.348 311 H HN 0.224 nan 8.280 nan 0.000 0.481 312 Y N -0.623 119.711 120.300 0.056 0.000 2.529 312 Y HA -0.004 4.545 4.550 -0.001 0.000 0.290 312 Y C 2.031 177.843 175.900 -0.147 0.000 1.177 312 Y CA 0.262 58.316 58.100 -0.077 0.000 1.305 312 Y CB 0.372 38.782 38.460 -0.084 0.000 1.047 312 Y HN 0.338 nan 8.280 nan 0.000 0.522 313 Q N -0.827 118.979 119.800 0.011 0.000 2.349 313 Q HA -0.010 4.330 4.340 -0.001 0.000 0.209 313 Q C 1.767 177.751 176.000 -0.027 0.000 0.920 313 Q CA 0.825 56.630 55.803 0.003 0.000 0.901 313 Q CB 0.254 29.021 28.738 0.047 0.000 1.021 313 Q HN 0.463 nan 8.270 nan 0.000 0.519 314 Q N -0.730 119.019 119.800 -0.084 0.000 2.349 314 Q HA 0.145 4.484 4.340 -0.001 0.000 0.209 314 Q C 0.155 176.068 176.000 -0.145 0.000 0.920 314 Q CA 0.068 55.818 55.803 -0.090 0.000 0.901 314 Q CB 0.697 29.384 28.738 -0.085 0.000 1.021 314 Q HN 0.045 nan 8.270 nan 0.000 0.519 315 R N 1.023 121.358 120.500 -0.276 0.000 2.577 315 R HA 0.248 4.588 4.340 -0.001 0.000 0.269 315 R C -0.209 175.972 176.300 -0.198 0.000 1.084 315 R CA 0.157 56.062 56.100 -0.325 0.000 1.163 315 R CB 0.473 30.364 30.300 -0.683 0.000 1.100 315 R HN -0.038 nan 8.270 nan 0.000 0.547 316 T N 2.867 117.340 114.554 -0.135 0.000 2.817 316 T HA 0.392 4.741 4.350 -0.001 0.000 0.293 316 T C 0.267 174.960 174.700 -0.012 0.000 0.964 316 T CA -0.381 61.692 62.100 -0.045 0.000 1.085 316 T CB 0.473 69.325 68.868 -0.027 0.000 0.921 316 T HN 0.166 nan 8.240 nan 0.000 0.502 317 L N 3.071 124.334 121.223 0.067 0.000 2.317 317 L HA 0.488 4.827 4.340 -0.001 0.000 0.281 317 L C 0.377 177.421 176.870 0.289 0.000 1.024 317 L CA -0.847 54.100 54.840 0.178 0.000 0.810 317 L CB 1.749 43.858 42.059 0.084 0.000 1.240 317 L HN 0.552 nan 8.230 nan 0.000 0.427 318 T N 3.387 118.116 114.554 0.292 0.000 2.794 318 T HA 0.696 5.046 4.350 -0.001 0.000 0.280 318 T C -0.593 174.310 174.700 0.337 0.000 0.987 318 T CA -0.266 61.930 62.100 0.161 0.000 0.993 318 T CB 0.731 69.650 68.868 0.084 0.000 0.939 318 T HN 0.414 nan 8.240 nan 0.000 0.449 319 F N 0.060 120.097 119.950 0.144 0.000 2.745 319 F HA 0.891 5.417 4.527 -0.001 0.000 0.316 319 F C -1.025 174.803 175.800 0.046 0.000 1.155 319 F CA -1.899 56.165 58.000 0.106 0.000 0.937 319 F CB 0.798 39.874 39.000 0.126 0.000 1.361 319 F HN 0.580 nan 8.300 nan 0.000 0.472 320 A N 1.623 124.593 122.820 0.249 0.000 2.330 320 A HA 0.854 5.174 4.320 -0.001 0.000 0.327 320 A C -1.428 176.270 177.584 0.189 0.000 1.155 320 A CA -0.758 51.349 52.037 0.116 0.000 0.803 320 A CB 1.081 20.115 19.000 0.057 0.000 1.208 320 A HN 0.790 nan 8.150 nan 0.000 0.477 321 L N 1.702 122.996 121.223 0.118 0.000 2.341 321 L HA 0.531 4.871 4.340 -0.001 0.000 0.267 321 L C 0.306 177.213 176.870 0.062 0.000 1.009 321 L CA -0.910 54.002 54.840 0.120 0.000 0.819 321 L CB 1.971 44.108 42.059 0.130 0.000 1.323 321 L HN 0.826 nan 8.230 nan 0.000 0.425 322 R N 0.732 121.266 120.500 0.057 0.000 2.679 322 R HA 0.118 4.458 4.340 -0.001 0.000 0.268 322 R C 0.917 177.237 176.300 0.033 0.000 1.044 322 R CA 0.275 56.399 56.100 0.039 0.000 1.105 322 R CB 0.412 30.736 30.300 0.039 0.000 0.989 322 R HN 0.807 nan 8.270 nan 0.000 0.447 323 A N 2.078 124.912 122.820 0.024 0.000 2.172 323 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 323 A C 1.084 178.679 177.584 0.018 0.000 1.154 323 A CA 1.456 53.503 52.037 0.017 0.000 0.701 323 A CB -0.225 18.783 19.000 0.013 0.000 0.789 323 A HN 0.870 nan 8.150 nan 0.000 0.465 324 D N -1.092 119.322 120.400 0.024 0.000 2.398 324 D HA -0.003 4.637 4.640 -0.001 0.000 0.210 324 D C -0.284 176.035 176.300 0.032 0.000 1.094 324 D CA -0.269 53.746 54.000 0.025 0.000 0.839 324 D CB -0.319 40.497 40.800 0.027 0.000 0.963 324 D HN 0.180 nan 8.370 nan 0.000 0.506 325 D N 1.843 122.265 120.400 0.037 0.000 2.371 325 D HA 0.062 4.702 4.640 -0.001 0.000 0.256 325 D C -1.454 174.856 176.300 0.018 0.000 1.193 325 D CA -1.811 52.218 54.000 0.048 0.000 0.881 325 D CB 1.972 42.811 40.800 0.065 0.000 1.143 325 D HN -0.100 nan 8.370 nan 0.000 0.473 326 P HA -0.164 nan 4.420 nan 0.000 0.217 326 P C 1.577 178.770 177.300 -0.178 0.000 1.148 326 P CA 0.447 63.526 63.100 -0.036 0.000 0.828 326 P CB 0.169 31.898 31.700 0.048 0.000 0.783 327 L N -0.670 120.387 121.223 -0.278 0.000 2.042 327 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 327 L C 2.144 178.951 176.870 -0.104 0.000 1.076 327 L CA 1.693 56.336 54.840 -0.330 0.000 0.749 327 L CB -1.536 40.420 42.059 -0.172 0.000 0.893 327 L HN -0.126 nan 8.230 nan 0.000 0.432 328 L N -0.073 121.132 121.223 -0.031 0.000 2.012 328 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 328 L C 2.551 179.403 176.870 -0.030 0.000 1.073 328 L CA 2.284 57.118 54.840 -0.010 0.000 0.748 328 L CB -0.948 41.113 42.059 0.004 0.000 0.891 328 L HN 0.325 nan 8.230 nan 0.000 0.431 329 K N -0.387 119.991 120.400 -0.038 0.000 2.057 329 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 329 K C 1.995 178.571 176.600 -0.040 0.000 1.049 329 K CA 1.865 58.132 56.287 -0.032 0.000 0.931 329 K CB -0.563 31.922 32.500 -0.025 0.000 0.714 329 K HN 0.454 nan 8.250 nan 0.000 0.440 330 L N -0.005 121.178 121.223 -0.067 0.000 2.093 330 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 330 L C 2.225 179.074 176.870 -0.034 0.000 1.085 330 L CA 0.889 55.694 54.840 -0.060 0.000 0.755 330 L CB -0.317 41.678 42.059 -0.107 0.000 0.904 330 L HN 0.124 nan 8.230 nan 0.000 0.435 331 L N -1.136 120.071 121.223 -0.028 0.000 2.072 331 L HA -0.175 4.164 4.340 -0.001 0.000 0.205 331 L C 2.676 179.538 176.870 -0.014 0.000 1.079 331 L CA 1.074 55.911 54.840 -0.005 0.000 0.752 331 L CB -0.428 41.636 42.059 0.009 0.000 0.906 331 L HN 0.255 nan 8.230 nan 0.000 0.436 332 Q N 0.021 119.808 119.800 -0.022 0.000 2.030 332 Q HA -0.275 4.065 4.340 -0.001 0.000 0.204 332 Q C 2.146 178.137 176.000 -0.015 0.000 0.986 332 Q CA 1.970 57.760 55.803 -0.022 0.000 0.843 332 Q CB -0.180 28.544 28.738 -0.023 0.000 0.904 332 Q HN 0.503 nan 8.270 nan 0.000 0.420 333 E N 0.144 120.336 120.200 -0.014 0.000 2.118 333 E HA -0.199 4.151 4.350 -0.001 0.000 0.195 333 E C 1.825 178.421 176.600 -0.007 0.000 0.992 333 E CA 0.994 57.388 56.400 -0.010 0.000 0.804 333 E CB -0.111 29.583 29.700 -0.010 0.000 0.741 333 E HN 0.368 nan 8.360 nan 0.000 0.458 334 A N 0.639 123.456 122.820 -0.005 0.000 2.016 334 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 334 A C 1.870 179.454 177.584 -0.000 0.000 1.162 334 A CA 0.814 52.850 52.037 -0.000 0.000 0.662 334 A CB -0.041 18.962 19.000 0.005 0.000 0.812 334 A HN 0.138 nan 8.150 nan 0.000 0.450 335 Q N -0.313 119.485 119.800 -0.004 0.000 2.424 335 Q HA -0.002 4.338 4.340 -0.001 0.000 0.204 335 Q C 0.677 176.672 176.000 -0.007 0.000 0.933 335 Q CA 0.313 56.113 55.803 -0.006 0.000 0.929 335 Q CB 0.167 28.898 28.738 -0.011 0.000 1.037 335 Q HN 0.920 nan 8.270 nan 0.000 0.511 336 Q N 0.000 119.796 119.800 -0.007 0.000 2.315 336 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 336 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 336 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 336 Q HN 0.000 nan 8.270 nan 0.000 0.481