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 3ej8_1_C DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEITQLCID LGWKPKYGRF DVLPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.462 176.300 0.270 0.000 0.893 83 R CA 0.000 56.134 56.100 0.056 0.000 0.921 83 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 84 H N -1.528 117.688 119.070 0.244 0.000 3.094 84 H HA 0.735 5.289 4.556 -0.003 0.000 0.346 84 H C -1.378 174.050 175.328 0.167 0.000 1.238 84 H CA -0.373 55.854 56.048 0.299 0.000 1.209 84 H CB 1.286 31.175 29.762 0.212 0.000 1.911 84 H HN 0.536 nan 8.280 nan 0.000 0.540 85 V N 3.087 123.167 119.914 0.277 0.000 2.439 85 V HA 0.431 4.549 4.120 -0.002 0.000 0.282 85 V C 0.434 176.661 176.094 0.222 0.000 1.039 85 V CA -0.726 61.635 62.300 0.101 0.000 0.913 85 V CB 1.171 32.911 31.823 -0.139 0.000 0.983 85 V HN 0.868 nan 8.190 nan 0.000 0.460 86 R N 5.742 126.349 120.500 0.178 0.000 2.407 86 R HA 0.731 5.070 4.340 -0.002 0.000 0.303 86 R C -0.870 175.458 176.300 0.047 0.000 0.981 86 R CA -0.484 55.695 56.100 0.132 0.000 0.905 86 R CB 1.243 31.623 30.300 0.134 0.000 1.099 86 R HN 0.852 nan 8.270 nan 0.000 0.459 87 I N 0.661 121.236 120.570 0.007 0.000 2.785 87 I HA 0.598 4.766 4.170 -0.002 0.000 0.302 87 I C -1.245 174.781 176.117 -0.152 0.000 1.069 87 I CA -1.194 60.097 61.300 -0.013 0.000 1.045 87 I CB 2.346 40.387 38.000 0.068 0.000 1.236 87 I HN 0.685 nan 8.210 nan 0.000 0.429 88 K N 2.315 122.575 120.400 -0.232 0.000 2.444 88 K HA 0.474 4.793 4.320 -0.002 0.000 0.252 88 K C -1.453 174.862 176.600 -0.475 0.000 0.993 88 K CA -0.897 55.107 56.287 -0.471 0.000 0.847 88 K CB 2.073 34.149 32.500 -0.708 0.000 1.340 88 K HN 0.634 nan 8.250 nan 0.000 0.446 89 N N 1.193 119.608 118.700 -0.476 0.000 2.424 89 N HA 0.166 4.905 4.740 -0.002 0.000 0.271 89 N C -0.827 174.511 175.510 -0.287 0.000 0.985 89 N CA -0.572 52.344 53.050 -0.224 0.000 0.921 89 N CB 0.617 39.041 38.487 -0.105 0.000 1.149 89 N HN 0.744 nan 8.380 nan 0.000 0.492 90 W N 2.162 123.536 121.300 0.124 0.000 3.345 90 W HA 0.297 4.955 4.660 -0.003 0.000 0.282 90 W C 1.794 178.373 176.519 0.100 0.000 1.302 90 W CA -0.413 57.005 57.345 0.122 0.000 1.724 90 W CB 0.463 30.025 29.460 0.170 0.000 1.104 90 W HN 0.669 nan 8.180 nan 0.000 0.694 91 G N -0.465 108.446 108.800 0.185 0.000 2.641 91 G HA2 -0.109 3.849 3.960 -0.002 0.000 0.207 91 G HA3 -0.109 3.849 3.960 -0.002 0.000 0.207 91 G C 1.524 176.422 174.900 -0.004 0.000 1.137 91 G CA 0.902 46.004 45.100 0.003 0.000 0.824 91 G HN 0.217 nan 8.290 nan 0.000 0.547 92 S N -1.229 114.460 115.700 -0.019 0.000 2.497 92 S HA 0.388 4.857 4.470 -0.002 0.000 0.221 92 S C 1.897 176.446 174.600 -0.086 0.000 1.037 92 S CA 1.170 59.341 58.200 -0.048 0.000 0.920 92 S CB 0.344 63.511 63.200 -0.055 0.000 0.800 92 S HN 1.524 nan 8.310 nan 0.000 0.505 93 G N 1.316 110.033 108.800 -0.138 0.000 2.195 93 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.246 93 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.246 93 G C 0.023 174.751 174.900 -0.286 0.000 0.984 93 G CA 0.221 45.197 45.100 -0.206 0.000 0.633 93 G HN 0.583 nan 8.290 nan 0.000 0.525 94 M N 2.178 121.599 119.600 -0.298 0.000 2.245 94 M HA 0.479 4.957 4.480 -0.002 0.000 0.330 94 M C 0.959 176.906 176.300 -0.588 0.000 1.098 94 M CA 1.312 56.368 55.300 -0.406 0.000 1.172 94 M CB 0.533 32.882 32.600 -0.420 0.000 1.467 94 M HN 0.565 nan 8.290 nan 0.000 0.454 95 T N 0.656 114.823 114.554 -0.645 0.000 2.906 95 T HA 0.701 5.049 4.350 -0.002 0.000 0.295 95 T C -0.949 173.296 174.700 -0.759 0.000 1.075 95 T CA -0.793 60.922 62.100 -0.642 0.000 1.005 95 T CB 1.340 69.995 68.868 -0.354 0.000 1.136 95 T HN 0.563 nan 8.240 nan 0.000 0.498 96 F N -0.088 119.677 119.950 -0.308 0.000 2.603 96 F HA 0.536 5.062 4.527 -0.002 0.000 0.317 96 F C 0.101 175.736 175.800 -0.276 0.000 1.066 96 F CA -1.267 56.468 58.000 -0.442 0.000 0.941 96 F CB 2.656 41.029 39.000 -1.045 0.000 1.291 96 F HN 0.432 nan 8.300 nan 0.000 0.472 97 Q N 1.808 121.632 119.800 0.041 0.000 2.401 97 Q HA 0.165 4.504 4.340 -0.002 0.000 0.260 97 Q C -1.453 174.678 176.000 0.218 0.000 1.034 97 Q CA -0.601 55.204 55.803 0.004 0.000 0.737 97 Q CB 2.037 30.585 28.738 -0.316 0.000 1.227 97 Q HN 0.467 nan 8.270 nan 0.000 0.488 98 D N 1.592 122.200 120.400 0.345 0.000 2.308 98 D HA 0.076 4.715 4.640 -0.002 0.000 0.251 98 D C 0.462 177.011 176.300 0.415 0.000 1.127 98 D CA 0.431 54.700 54.000 0.449 0.000 0.876 98 D CB 1.282 42.315 40.800 0.388 0.000 1.176 98 D HN 0.664 nan 8.370 nan 0.000 0.446 99 T N 0.774 115.522 114.554 0.324 0.000 3.046 99 T HA -0.028 4.320 4.350 -0.002 0.000 0.270 99 T C 1.599 176.384 174.700 0.143 0.000 0.920 99 T CA -0.294 61.995 62.100 0.314 0.000 0.874 99 T CB -0.019 68.969 68.868 0.200 0.000 1.214 99 T HN 0.240 nan 8.240 nan 0.000 0.536 100 L N 2.970 124.232 121.223 0.066 0.000 2.217 100 L HA 0.094 4.432 4.340 -0.002 0.000 0.211 100 L C 2.426 179.142 176.870 -0.256 0.000 1.107 100 L CA 1.727 56.550 54.840 -0.028 0.000 0.783 100 L CB -0.765 41.316 42.059 0.037 0.000 0.919 100 L HN 0.595 nan 8.230 nan 0.000 0.442 101 H N -2.766 115.907 119.070 -0.661 0.000 2.566 101 H HA -0.148 4.407 4.556 -0.001 0.000 0.285 101 H C 1.297 176.231 175.328 -0.658 0.000 1.041 101 H CA 1.532 56.809 56.048 -1.285 0.000 1.207 101 H CB -0.781 28.223 29.762 -1.263 0.000 1.353 101 H HN 0.544 nan 8.280 nan 0.000 0.604 102 H N 0.501 119.130 119.070 -0.735 0.000 2.482 102 H HA 0.087 4.642 4.556 -0.003 0.000 0.286 102 H C 1.690 176.877 175.328 -0.235 0.000 1.017 102 H CA 0.546 56.305 56.048 -0.481 0.000 1.322 102 H CB 0.510 30.022 29.762 -0.417 0.000 1.426 102 H HN 0.086 nan 8.280 nan 0.000 0.546 103 K N 0.883 121.238 120.400 -0.075 0.000 2.459 103 K HA 0.201 4.520 4.320 -0.002 0.000 0.193 103 K C 0.741 177.339 176.600 -0.003 0.000 1.030 103 K CA 0.179 56.456 56.287 -0.018 0.000 1.026 103 K CB 0.003 32.505 32.500 0.004 0.000 0.809 103 K HN 0.194 nan 8.250 nan 0.000 0.504 104 A N 1.866 124.667 122.820 -0.032 0.000 2.448 104 A HA 0.043 4.361 4.320 -0.002 0.000 0.239 104 A C -0.014 177.577 177.584 0.012 0.000 1.080 104 A CA 0.056 52.110 52.037 0.029 0.000 0.779 104 A CB 0.172 19.196 19.000 0.040 0.000 1.026 104 A HN 0.120 nan 8.150 nan 0.000 0.499 105 K N 1.090 121.498 120.400 0.012 0.000 2.276 105 K HA 0.280 4.598 4.320 -0.002 0.000 0.285 105 K C 0.611 177.210 176.600 -0.001 0.000 1.062 105 K CA 0.304 56.590 56.287 -0.001 0.000 0.918 105 K CB 1.015 33.506 32.500 -0.016 0.000 1.055 105 K HN 0.751 nan 8.250 nan 0.000 0.477 106 G N 4.156 112.958 108.800 0.003 0.000 2.924 106 G HA2 0.130 4.089 3.960 -0.002 0.000 0.273 106 G HA3 0.130 4.089 3.960 -0.002 0.000 0.273 106 G C 0.747 175.651 174.900 0.006 0.000 0.734 106 G CA -0.107 44.997 45.100 0.007 0.000 2.065 106 G HN 0.789 nan 8.290 nan 0.000 0.580 107 I N -1.640 118.933 120.570 0.005 0.000 4.439 107 I HA 0.375 4.544 4.170 -0.002 0.000 0.331 107 I C -0.113 176.014 176.117 0.017 0.000 1.345 107 I CA -0.530 60.774 61.300 0.006 0.000 1.193 107 I CB 0.136 38.136 38.000 0.001 0.000 1.221 107 I HN -0.056 nan 8.210 nan 0.000 0.429 108 L N 2.856 124.091 121.223 0.021 0.000 2.483 108 L HA 0.090 4.428 4.340 -0.002 0.000 0.276 108 L C 1.791 178.682 176.870 0.035 0.000 1.213 108 L CA 1.130 55.990 54.840 0.034 0.000 0.843 108 L CB 0.934 43.020 42.059 0.044 0.000 1.107 108 L HN 0.384 nan 8.230 nan 0.000 0.487 109 T N -2.278 112.301 114.554 0.042 0.000 3.129 109 T HA 0.086 4.434 4.350 -0.002 0.000 0.251 109 T C 0.707 175.430 174.700 0.038 0.000 1.117 109 T CA -0.349 61.775 62.100 0.040 0.000 1.034 109 T CB -0.585 68.310 68.868 0.045 0.000 0.968 109 T HN 0.441 nan 8.240 nan 0.000 0.526 110 C N 3.054 122.378 119.300 0.040 0.000 2.601 110 C HA 0.693 5.151 4.460 -0.002 0.000 0.409 110 C C 0.732 175.739 174.990 0.029 0.000 1.293 110 C CA -0.880 58.160 59.018 0.037 0.000 2.101 110 C CB -0.308 27.457 27.740 0.041 0.000 2.639 110 C HN 0.478 nan 8.230 nan 0.000 0.592 111 R N 1.196 121.711 120.500 0.025 0.000 2.869 111 R HA 0.355 4.694 4.340 -0.002 0.000 0.263 111 R C 1.084 177.394 176.300 0.017 0.000 1.066 111 R CA -0.491 55.621 56.100 0.020 0.000 0.960 111 R CB 0.839 31.150 30.300 0.019 0.000 1.221 111 R HN 0.765 nan 8.270 nan 0.000 0.474 112 S N 0.150 115.858 115.700 0.014 0.000 2.442 112 S HA -0.082 4.387 4.470 -0.002 0.000 0.236 112 S C 1.125 175.731 174.600 0.010 0.000 1.007 112 S CA 0.844 59.050 58.200 0.011 0.000 0.965 112 S CB 0.029 63.235 63.200 0.010 0.000 0.773 112 S HN 0.389 nan 8.310 nan 0.000 0.504 113 K N 1.462 121.868 120.400 0.011 0.000 2.243 113 K HA 0.146 4.464 4.320 -0.002 0.000 0.201 113 K C 0.586 177.193 176.600 0.011 0.000 1.051 113 K CA 0.787 57.081 56.287 0.010 0.000 0.970 113 K CB 0.068 32.575 32.500 0.011 0.000 0.755 113 K HN 0.637 nan 8.250 nan 0.000 0.465 114 S N -0.910 114.799 115.700 0.014 0.000 2.543 114 S HA 0.198 4.666 4.470 -0.002 0.000 0.274 114 S C -1.018 173.595 174.600 0.021 0.000 1.149 114 S CA -1.241 56.969 58.200 0.017 0.000 0.866 114 S CB 1.334 64.545 63.200 0.019 0.000 1.111 114 S HN 0.176 nan 8.310 nan 0.000 0.457 115 C N 3.580 122.893 119.300 0.021 0.000 2.281 115 C HA 0.747 5.206 4.460 -0.002 0.000 0.325 115 C C -0.065 174.948 174.990 0.039 0.000 1.282 115 C CA -0.619 58.416 59.018 0.028 0.000 1.640 115 C CB -1.081 26.672 27.740 0.021 0.000 2.288 115 C HN 0.833 nan 8.230 nan 0.000 0.507 116 L N 6.389 127.641 121.223 0.049 0.000 3.034 116 L HA 0.353 4.691 4.340 -0.002 0.000 0.245 116 L C 1.836 178.755 176.870 0.081 0.000 1.295 116 L CA 0.587 55.464 54.840 0.062 0.000 1.068 116 L CB -0.004 42.090 42.059 0.060 0.000 1.426 116 L HN 1.007 nan 8.230 nan 0.000 0.531 117 G N -0.428 108.421 108.800 0.083 0.000 2.422 117 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.218 117 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.218 117 G C 1.624 176.612 174.900 0.146 0.000 1.140 117 G CA 1.041 46.208 45.100 0.110 0.000 0.775 117 G HN 0.526 nan 8.290 nan 0.000 0.545 118 S N 0.154 115.932 115.700 0.131 0.000 2.515 118 S HA 0.149 4.618 4.470 -0.002 0.000 0.231 118 S C 1.103 175.801 174.600 0.162 0.000 0.987 118 S CA -0.310 57.981 58.200 0.152 0.000 0.936 118 S CB -0.169 63.099 63.200 0.114 0.000 0.766 118 S HN 0.061 nan 8.310 nan 0.000 0.528 119 I N 2.908 123.564 120.570 0.144 0.000 2.742 119 I HA 0.005 4.174 4.170 -0.002 0.000 0.287 119 I C 1.526 177.763 176.117 0.200 0.000 1.186 119 I CA 0.225 61.611 61.300 0.144 0.000 1.417 119 I CB -0.252 37.819 38.000 0.118 0.000 1.377 119 I HN 0.438 nan 8.210 nan 0.000 0.556 120 M N 5.603 125.325 119.600 0.204 0.000 2.059 120 M HA -0.128 4.350 4.480 -0.002 0.000 0.259 120 M C 0.668 177.131 176.300 0.273 0.000 1.072 120 M CA 1.994 57.461 55.300 0.278 0.000 1.117 120 M CB 0.140 32.862 32.600 0.203 0.000 1.320 120 M HN 0.583 nan 8.290 nan 0.000 0.408 121 T N 3.010 117.663 114.554 0.165 0.000 3.327 121 T HA 0.398 4.747 4.350 -0.002 0.000 0.373 121 T C -2.487 172.311 174.700 0.163 0.000 1.589 121 T CA -1.163 61.010 62.100 0.121 0.000 1.497 121 T CB 0.576 69.375 68.868 -0.115 0.000 1.032 121 T HN 0.368 nan 8.240 nan 0.000 0.640 122 P HA 0.307 nan 4.420 nan 0.000 0.275 122 P C 0.646 178.049 177.300 0.172 0.000 1.228 122 P CA -0.451 62.747 63.100 0.163 0.000 0.786 122 P CB 1.568 33.354 31.700 0.145 0.000 0.927 123 K N 0.905 121.376 120.400 0.117 0.000 2.211 123 K HA -0.120 4.199 4.320 -0.002 0.000 0.204 123 K C 2.092 178.755 176.600 0.106 0.000 1.047 123 K CA 1.929 58.276 56.287 0.101 0.000 0.935 123 K CB -0.264 32.272 32.500 0.061 0.000 0.728 123 K HN 0.588 nan 8.250 nan 0.000 0.452 124 S N 0.971 116.731 115.700 0.100 0.000 2.399 124 S HA -0.100 4.369 4.470 -0.002 0.000 0.231 124 S C 1.638 176.316 174.600 0.129 0.000 1.022 124 S CA 0.853 59.105 58.200 0.085 0.000 0.983 124 S CB -0.235 63.001 63.200 0.061 0.000 0.803 124 S HN 0.236 nan 8.310 nan 0.000 0.480 125 L N 1.527 122.848 121.223 0.163 0.000 2.685 125 L HA 0.292 4.630 4.340 -0.002 0.000 0.233 125 L C -0.172 176.887 176.870 0.315 0.000 1.173 125 L CA -0.027 54.917 54.840 0.174 0.000 0.961 125 L CB -0.104 41.984 42.059 0.048 0.000 1.217 125 L HN 0.264 nan 8.230 nan 0.000 0.478 126 T N -0.575 114.170 114.554 0.319 0.000 2.887 126 T HA 0.461 4.810 4.350 -0.002 0.000 0.288 126 T C -0.474 174.288 174.700 0.103 0.000 1.021 126 T CA -0.517 61.751 62.100 0.280 0.000 1.000 126 T CB 2.553 71.552 68.868 0.219 0.000 1.034 126 T HN -0.052 nan 8.240 nan 0.000 0.467 127 R N 1.444 121.970 120.500 0.043 0.000 2.415 127 R HA 0.559 4.898 4.340 -0.002 0.000 0.292 127 R C 0.537 176.806 176.300 -0.052 0.000 1.295 127 R CA -0.284 55.739 56.100 -0.130 0.000 1.137 127 R CB 0.187 30.310 30.300 -0.295 0.000 1.135 127 R HN 0.854 nan 8.270 nan 0.000 0.560 128 G N 3.068 111.837 108.800 -0.051 0.000 2.583 128 G HA2 0.236 4.195 3.960 -0.002 0.000 0.275 128 G HA3 0.236 4.195 3.960 -0.002 0.000 0.275 128 G C -1.932 172.935 174.900 -0.054 0.000 1.342 128 G CA -0.761 44.311 45.100 -0.047 0.000 1.030 128 G HN 0.526 nan 8.290 nan 0.000 0.520 129 P HA 0.418 nan 4.420 nan 0.000 0.279 129 P C -0.883 176.392 177.300 -0.041 0.000 1.282 129 P CA -0.390 62.682 63.100 -0.048 0.000 0.788 129 P CB 1.074 32.742 31.700 -0.053 0.000 1.139 130 R N -0.561 119.920 120.500 -0.032 0.000 2.680 130 R HA 0.304 4.643 4.340 -0.002 0.000 0.269 130 R C -0.195 176.095 176.300 -0.016 0.000 1.026 130 R CA -0.633 55.451 56.100 -0.026 0.000 0.889 130 R CB 1.215 31.497 30.300 -0.030 0.000 1.241 130 R HN 0.446 nan 8.270 nan 0.000 0.463 131 D N 0.380 120.773 120.400 -0.012 0.000 2.469 131 D HA 0.131 4.769 4.640 -0.002 0.000 0.213 131 D C -0.340 175.963 176.300 0.005 0.000 1.135 131 D CA -0.049 53.949 54.000 -0.003 0.000 0.834 131 D CB 0.854 41.649 40.800 -0.008 0.000 1.009 131 D HN 0.257 nan 8.370 nan 0.000 0.507 132 K N 0.610 121.010 120.400 -0.001 0.000 2.443 132 K HA 0.536 4.854 4.320 -0.002 0.000 0.251 132 K C -2.886 173.711 176.600 -0.006 0.000 0.972 132 K CA -1.903 54.384 56.287 -0.000 0.000 0.833 132 K CB 2.496 34.994 32.500 -0.004 0.000 1.317 132 K HN -0.202 nan 8.250 nan 0.000 0.441 133 P HA 0.080 nan 4.420 nan 0.000 0.274 133 P C -0.829 176.458 177.300 -0.021 0.000 1.256 133 P CA -0.347 62.742 63.100 -0.017 0.000 0.795 133 P CB 0.459 32.149 31.700 -0.016 0.000 1.038 134 T N 2.948 117.484 114.554 -0.029 0.000 2.779 134 T HA 0.209 4.557 4.350 -0.002 0.000 0.296 134 T C -2.180 172.515 174.700 -0.009 0.000 0.938 134 T CA -0.815 61.270 62.100 -0.024 0.000 1.119 134 T CB -0.477 68.372 68.868 -0.032 0.000 0.891 134 T HN 0.262 nan 8.240 nan 0.000 0.526 135 P HA 0.089 nan 4.420 nan 0.000 0.260 135 P C -1.869 175.439 177.300 0.013 0.000 1.185 135 P CA -1.104 61.998 63.100 0.003 0.000 0.763 135 P CB 0.249 31.950 31.700 0.002 0.000 0.776 136 P HA -0.247 nan 4.420 nan 0.000 0.216 136 P C 0.999 178.318 177.300 0.031 0.000 1.154 136 P CA 1.526 64.645 63.100 0.032 0.000 0.865 136 P CB -0.027 31.689 31.700 0.027 0.000 0.789 137 D N -0.501 119.912 120.400 0.021 0.000 2.104 137 D HA -0.179 4.460 4.640 -0.002 0.000 0.194 137 D C 1.803 178.116 176.300 0.021 0.000 0.994 137 D CA 1.205 55.216 54.000 0.018 0.000 0.830 137 D CB -0.342 40.465 40.800 0.012 0.000 0.959 137 D HN 0.384 nan 8.370 nan 0.000 0.452 138 E N 0.083 120.294 120.200 0.019 0.000 2.152 138 E HA -0.121 4.227 4.350 -0.002 0.000 0.192 138 E C 2.091 178.712 176.600 0.034 0.000 0.983 138 E CA 0.130 56.542 56.400 0.020 0.000 0.818 138 E CB 0.052 29.758 29.700 0.010 0.000 0.758 138 E HN 0.101 nan 8.360 nan 0.000 0.467 139 L N 0.957 122.208 121.223 0.046 0.000 2.044 139 L HA -0.103 4.235 4.340 -0.002 0.000 0.205 139 L C 2.171 179.096 176.870 0.093 0.000 1.075 139 L CA 1.147 56.036 54.840 0.082 0.000 0.747 139 L CB -0.570 41.550 42.059 0.102 0.000 0.903 139 L HN 0.106 nan 8.230 nan 0.000 0.435 140 L N 0.388 121.648 121.223 0.063 0.000 1.991 140 L HA -0.210 4.129 4.340 -0.002 0.000 0.221 140 L C -0.504 176.384 176.870 0.031 0.000 1.079 140 L CA 2.536 57.395 54.840 0.032 0.000 0.778 140 L CB -1.937 40.133 42.059 0.019 0.000 0.893 140 L HN 0.197 nan 8.230 nan 0.000 0.437 141 P HA -0.227 nan 4.420 nan 0.000 0.214 141 P C 1.530 178.869 177.300 0.066 0.000 1.163 141 P CA 1.904 65.030 63.100 0.042 0.000 0.889 141 P CB -0.162 31.559 31.700 0.036 0.000 0.790 142 Q N -0.790 119.059 119.800 0.082 0.000 2.124 142 Q HA -0.138 4.200 4.340 -0.002 0.000 0.202 142 Q C 2.240 178.342 176.000 0.169 0.000 0.977 142 Q CA 1.636 57.510 55.803 0.119 0.000 0.850 142 Q CB -0.801 28.004 28.738 0.111 0.000 0.901 142 Q HN 0.197 nan 8.270 nan 0.000 0.429 143 A N 1.389 124.292 122.820 0.138 0.000 1.855 143 A HA -0.171 4.148 4.320 -0.002 0.000 0.215 143 A C 2.075 179.708 177.584 0.082 0.000 1.191 143 A CA 1.140 53.226 52.037 0.081 0.000 0.613 143 A CB -0.495 18.348 19.000 -0.262 0.000 0.829 143 A HN 0.229 nan 8.150 nan 0.000 0.442 144 I N 0.178 120.771 120.570 0.039 0.000 2.151 144 I HA -0.262 3.907 4.170 -0.002 0.000 0.243 144 I C 2.415 178.600 176.117 0.113 0.000 1.080 144 I CA 1.915 63.252 61.300 0.061 0.000 1.339 144 I CB -1.587 36.438 38.000 0.041 0.000 1.039 144 I HN 0.554 nan 8.210 nan 0.000 0.409 145 E N 0.441 120.715 120.200 0.123 0.000 2.070 145 E HA -0.297 4.051 4.350 -0.002 0.000 0.197 145 E C 2.309 179.008 176.600 0.165 0.000 1.004 145 E CA 1.615 58.095 56.400 0.133 0.000 0.805 145 E CB -0.260 29.520 29.700 0.133 0.000 0.744 145 E HN 0.378 nan 8.360 nan 0.000 0.451 146 F N 0.711 120.720 119.950 0.098 0.000 2.134 146 F HA -0.180 4.345 4.527 -0.005 0.000 0.299 146 F C 2.013 177.882 175.800 0.115 0.000 1.097 146 F CA 1.128 59.203 58.000 0.125 0.000 1.264 146 F CB -0.328 38.761 39.000 0.150 0.000 1.001 146 F HN -0.129 nan 8.300 nan 0.000 0.479 147 V N 1.136 121.038 119.914 -0.021 0.000 2.490 147 V HA -0.316 3.802 4.120 -0.002 0.000 0.250 147 V C 2.144 178.199 176.094 -0.065 0.000 1.061 147 V CA 2.056 64.330 62.300 -0.043 0.000 1.064 147 V CB -0.867 31.057 31.823 0.169 0.000 0.670 147 V HN 0.399 nan 8.190 nan 0.000 0.461 148 N N 0.139 118.856 118.700 0.028 0.000 2.216 148 N HA -0.189 4.550 4.740 -0.002 0.000 0.183 148 N C 1.920 177.361 175.510 -0.115 0.000 1.017 148 N CA 1.515 54.591 53.050 0.044 0.000 0.861 148 N CB -0.309 38.265 38.487 0.145 0.000 0.986 148 N HN 0.675 nan 8.380 nan 0.000 0.428 149 Q N -0.071 119.649 119.800 -0.133 0.000 2.119 149 Q HA -0.164 4.174 4.340 -0.002 0.000 0.201 149 Q C 2.006 177.803 176.000 -0.338 0.000 0.972 149 Q CA 0.997 56.722 55.803 -0.129 0.000 0.847 149 Q CB -0.174 28.571 28.738 0.011 0.000 0.903 149 Q HN 0.483 nan 8.270 nan 0.000 0.433 150 Y N -0.241 119.570 120.300 -0.815 0.000 2.060 150 Y HA -0.310 4.238 4.550 -0.004 0.000 0.276 150 Y C 1.653 176.896 175.900 -1.094 0.000 1.127 150 Y CA 1.886 59.154 58.100 -1.386 0.000 1.104 150 Y CB -0.401 37.239 38.460 -1.367 0.000 0.983 150 Y HN 0.143 nan 8.280 nan 0.000 0.483 151 Y N 0.405 120.304 120.300 -0.669 0.000 2.465 151 Y HA -0.099 4.449 4.550 -0.003 0.000 0.289 151 Y C 2.362 178.064 175.900 -0.331 0.000 1.150 151 Y CA 1.270 59.077 58.100 -0.488 0.000 1.293 151 Y CB -0.812 37.163 38.460 -0.809 0.000 0.977 151 Y HN 0.307 nan 8.280 nan 0.000 0.556 152 G N -1.959 106.675 108.800 -0.276 0.000 3.042 152 G HA2 -0.058 3.900 3.960 -0.002 0.000 0.212 152 G HA3 -0.058 3.900 3.960 -0.002 0.000 0.212 152 G C 1.485 176.259 174.900 -0.211 0.000 1.166 152 G CA 0.615 45.631 45.100 -0.140 0.000 0.767 152 G HN 0.418 nan 8.290 nan 0.000 0.546 153 S N -0.247 115.166 115.700 -0.478 0.000 2.558 153 S HA 0.303 4.771 4.470 -0.002 0.000 0.217 153 S C 0.326 174.652 174.600 -0.456 0.000 0.975 153 S CA -0.550 57.380 58.200 -0.449 0.000 0.912 153 S CB -0.240 62.631 63.200 -0.548 0.000 0.776 153 S HN -0.001 nan 8.310 nan 0.000 0.526 154 F N 3.770 123.571 119.950 -0.248 0.000 2.427 154 F HA 0.386 4.911 4.527 -0.004 0.000 0.352 154 F C 1.759 177.503 175.800 -0.093 0.000 1.100 154 F CA -1.346 56.548 58.000 -0.176 0.000 1.191 154 F CB 0.839 39.725 39.000 -0.190 0.000 1.128 154 F HN -0.017 nan 8.300 nan 0.000 0.533 155 K N 1.942 122.419 120.400 0.128 0.000 2.032 155 K HA -0.207 4.111 4.320 -0.002 0.000 0.209 155 K C 0.319 176.954 176.600 0.060 0.000 1.048 155 K CA 1.348 57.674 56.287 0.065 0.000 0.927 155 K CB -0.425 32.105 32.500 0.051 0.000 0.712 155 K HN 0.704 nan 8.250 nan 0.000 0.441 156 E N 0.988 121.228 120.200 0.066 0.000 2.129 156 E HA 0.417 4.766 4.350 -0.002 0.000 0.268 156 E C -1.251 175.362 176.600 0.023 0.000 0.900 156 E CA -0.508 55.908 56.400 0.026 0.000 0.755 156 E CB 1.332 31.030 29.700 -0.003 0.000 1.117 156 E HN 0.302 nan 8.360 nan 0.000 0.410 157 A N 5.026 127.865 122.820 0.031 0.000 2.548 157 A HA 0.038 4.357 4.320 -0.002 0.000 0.247 157 A C -0.016 177.552 177.584 -0.027 0.000 1.067 157 A CA 0.203 52.264 52.037 0.039 0.000 0.757 157 A CB 0.084 19.113 19.000 0.049 0.000 0.996 157 A HN 0.654 nan 8.150 nan 0.000 0.504 158 K N 3.708 124.074 120.400 -0.056 0.000 2.333 158 K HA 0.147 4.466 4.320 -0.002 0.000 0.241 158 K C 0.658 177.199 176.600 -0.098 0.000 1.193 158 K CA -0.329 55.886 56.287 -0.121 0.000 1.142 158 K CB 0.105 32.479 32.500 -0.210 0.000 1.731 158 K HN 0.725 nan 8.250 nan 0.000 0.344 159 I N 1.995 122.524 120.570 -0.069 0.000 2.087 159 I HA -0.387 3.781 4.170 -0.002 0.000 0.240 159 I C 1.888 177.931 176.117 -0.123 0.000 1.054 159 I CA 2.020 63.276 61.300 -0.073 0.000 1.311 159 I CB 0.173 38.137 38.000 -0.059 0.000 1.024 159 I HN 0.523 nan 8.210 nan 0.000 0.402 160 E N -0.288 119.842 120.200 -0.116 0.000 2.047 160 E HA -0.226 4.122 4.350 -0.002 0.000 0.191 160 E C 2.150 178.656 176.600 -0.157 0.000 0.987 160 E CA 1.371 57.699 56.400 -0.120 0.000 0.799 160 E CB -0.220 29.429 29.700 -0.085 0.000 0.752 160 E HN 0.582 nan 8.360 nan 0.000 0.449 161 E N 0.083 120.175 120.200 -0.179 0.000 2.070 161 E HA -0.267 4.082 4.350 -0.002 0.000 0.197 161 E C 2.071 178.381 176.600 -0.483 0.000 1.004 161 E CA 1.317 57.587 56.400 -0.217 0.000 0.805 161 E CB -0.280 29.343 29.700 -0.127 0.000 0.744 161 E HN 0.431 nan 8.360 nan 0.000 0.451 162 H N 0.280 118.753 119.070 -0.996 0.000 2.267 162 H HA -0.177 4.377 4.556 -0.002 0.000 0.297 162 H C 2.396 177.437 175.328 -0.477 0.000 1.080 162 H CA 1.255 56.550 56.048 -1.255 0.000 1.278 162 H CB -0.007 29.291 29.762 -0.775 0.000 1.365 162 H HN 0.082 nan 8.280 nan 0.000 0.489 163 L N 0.957 122.003 121.223 -0.294 0.000 2.081 163 L HA -0.182 4.157 4.340 -0.002 0.000 0.212 163 L C 2.575 179.367 176.870 -0.131 0.000 1.080 163 L CA 1.922 56.615 54.840 -0.246 0.000 0.754 163 L CB -0.820 41.116 42.059 -0.204 0.000 0.893 163 L HN 0.464 nan 8.230 nan 0.000 0.433 164 A N -1.100 121.654 122.820 -0.110 0.000 1.929 164 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 164 A C 2.374 179.955 177.584 -0.005 0.000 1.176 164 A CA 1.305 53.310 52.037 -0.052 0.000 0.628 164 A CB -0.468 18.507 19.000 -0.042 0.000 0.816 164 A HN 0.405 nan 8.150 nan 0.000 0.444 165 R N 0.055 120.567 120.500 0.020 0.000 2.092 165 R HA -0.048 4.290 4.340 -0.002 0.000 0.231 165 R C 1.764 178.118 176.300 0.091 0.000 1.119 165 R CA 1.921 58.092 56.100 0.118 0.000 0.970 165 R CB -1.148 29.338 30.300 0.311 0.000 0.864 165 R HN 0.228 nan 8.270 nan 0.000 0.440 166 V N 0.931 120.891 119.914 0.076 0.000 2.255 166 V HA -0.245 3.873 4.120 -0.002 0.000 0.247 166 V C 2.287 178.380 176.094 -0.000 0.000 1.051 166 V CA 2.320 64.645 62.300 0.041 0.000 1.018 166 V CB -0.631 31.194 31.823 0.003 0.000 0.641 166 V HN 0.390 nan 8.190 nan 0.000 0.445 167 E N 0.426 120.619 120.200 -0.011 0.000 2.085 167 E HA -0.187 4.162 4.350 -0.002 0.000 0.194 167 E C 2.129 178.728 176.600 -0.002 0.000 0.994 167 E CA 1.726 58.118 56.400 -0.013 0.000 0.801 167 E CB -0.592 29.096 29.700 -0.020 0.000 0.743 167 E HN 0.522 nan 8.360 nan 0.000 0.453 168 A N -0.011 122.816 122.820 0.012 0.000 1.883 168 A HA -0.172 4.146 4.320 -0.002 0.000 0.217 168 A C 2.516 180.111 177.584 0.018 0.000 1.186 168 A CA 1.910 53.962 52.037 0.025 0.000 0.624 168 A CB -0.881 18.147 19.000 0.047 0.000 0.822 168 A HN 0.193 nan 8.150 nan 0.000 0.444 169 V N -0.132 119.777 119.914 -0.009 0.000 2.490 169 V HA -0.215 3.904 4.120 -0.002 0.000 0.250 169 V C 2.662 178.712 176.094 -0.074 0.000 1.061 169 V CA 2.338 64.585 62.300 -0.088 0.000 1.064 169 V CB -1.383 30.299 31.823 -0.236 0.000 0.670 169 V HN 0.621 nan 8.190 nan 0.000 0.461 170 T N -0.362 114.166 114.554 -0.043 0.000 2.614 170 T HA -0.239 4.110 4.350 -0.002 0.000 0.263 170 T C 1.979 176.678 174.700 -0.001 0.000 1.055 170 T CA 1.752 63.838 62.100 -0.024 0.000 1.162 170 T CB -0.235 68.623 68.868 -0.017 0.000 0.863 170 T HN 0.373 nan 8.240 nan 0.000 0.414 171 K N 0.706 121.109 120.400 0.005 0.000 2.152 171 K HA -0.170 4.148 4.320 -0.002 0.000 0.206 171 K C 2.368 178.985 176.600 0.028 0.000 1.048 171 K CA 1.474 57.770 56.287 0.015 0.000 0.933 171 K CB -0.049 32.459 32.500 0.013 0.000 0.721 171 K HN 0.432 nan 8.250 nan 0.000 0.447 172 E N 0.692 120.917 120.200 0.041 0.000 2.015 172 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 172 E C 1.903 178.551 176.600 0.081 0.000 0.991 172 E CA 1.392 57.833 56.400 0.069 0.000 0.802 172 E CB -0.082 29.683 29.700 0.108 0.000 0.759 172 E HN 0.272 nan 8.360 nan 0.000 0.447 173 I N 1.342 121.968 120.570 0.094 0.000 2.264 173 I HA -0.272 3.897 4.170 -0.002 0.000 0.248 173 I C 2.723 178.875 176.117 0.059 0.000 1.111 173 I CA 1.542 62.904 61.300 0.104 0.000 1.382 173 I CB -0.454 37.608 38.000 0.103 0.000 1.060 173 I HN 0.359 nan 8.210 nan 0.000 0.418 174 E N 0.911 121.135 120.200 0.040 0.000 2.110 174 E HA -0.248 4.101 4.350 -0.002 0.000 0.193 174 E C 2.103 178.718 176.600 0.024 0.000 0.988 174 E CA 2.159 58.575 56.400 0.027 0.000 0.804 174 E CB 0.032 29.743 29.700 0.018 0.000 0.745 174 E HN 0.591 nan 8.360 nan 0.000 0.458 175 T N -2.352 112.218 114.554 0.028 0.000 2.976 175 T HA -0.029 4.319 4.350 -0.002 0.000 0.257 175 T C 2.026 176.739 174.700 0.022 0.000 1.051 175 T CA 1.275 63.389 62.100 0.023 0.000 1.141 175 T CB -0.200 68.681 68.868 0.022 0.000 0.881 175 T HN 0.208 nan 8.240 nan 0.000 0.461 176 T N -2.783 111.789 114.554 0.030 0.000 3.014 176 T HA 0.533 4.881 4.350 -0.002 0.000 0.250 176 T C 1.964 176.677 174.700 0.020 0.000 1.060 176 T CA 0.733 62.847 62.100 0.023 0.000 1.040 176 T CB -0.005 68.879 68.868 0.028 0.000 0.971 176 T HN 0.885 nan 8.240 nan 0.000 0.497 177 G N 0.290 109.109 108.800 0.032 0.000 2.258 177 G HA2 -0.203 3.755 3.960 -0.002 0.000 0.233 177 G HA3 -0.203 3.755 3.960 -0.002 0.000 0.233 177 G C 0.239 175.163 174.900 0.041 0.000 1.006 177 G CA 0.437 45.553 45.100 0.028 0.000 0.620 177 G HN 0.953 nan 8.290 nan 0.000 0.511 178 T N -0.989 113.595 114.554 0.049 0.000 2.654 178 T HA 0.723 5.071 4.350 -0.002 0.000 0.289 178 T C -1.402 173.382 174.700 0.140 0.000 1.062 178 T CA 0.332 62.464 62.100 0.053 0.000 1.041 178 T CB 1.512 70.344 68.868 -0.059 0.000 1.417 178 T HN 1.452 nan 8.240 nan 0.000 0.510 179 Y N -0.259 120.034 120.300 -0.012 0.000 2.625 179 Y HA 0.844 5.393 4.550 -0.001 0.000 0.338 179 Y C -1.014 174.890 175.900 0.006 0.000 1.123 179 Y CA -1.241 56.864 58.100 0.008 0.000 1.046 179 Y CB 1.282 39.759 38.460 0.029 0.000 1.299 179 Y HN 0.555 nan 8.280 nan 0.000 0.464 180 Q N 1.611 121.471 119.800 0.100 0.000 2.274 180 Q HA 0.605 4.944 4.340 -0.002 0.000 0.260 180 Q C -1.477 174.610 176.000 0.144 0.000 0.974 180 Q CA -0.596 55.219 55.803 0.020 0.000 0.876 180 Q CB 1.804 30.567 28.738 0.043 0.000 1.297 180 Q HN 0.822 nan 8.270 nan 0.000 0.446 181 L N 2.038 123.310 121.223 0.083 0.000 2.350 181 L HA 0.446 4.785 4.340 -0.002 0.000 0.275 181 L C 0.763 177.680 176.870 0.079 0.000 1.099 181 L CA -0.635 54.284 54.840 0.131 0.000 0.808 181 L CB 1.078 43.178 42.059 0.070 0.000 1.149 181 L HN 0.774 nan 8.230 nan 0.000 0.442 182 T N -0.786 113.806 114.554 0.063 0.000 2.698 182 T HA 0.161 4.510 4.350 -0.002 0.000 0.295 182 T C 1.301 176.007 174.700 0.010 0.000 1.007 182 T CA -0.120 62.002 62.100 0.036 0.000 0.980 182 T CB 1.122 70.008 68.868 0.029 0.000 1.036 182 T HN 0.683 nan 8.240 nan 0.000 0.526 183 G N 0.015 108.825 108.800 0.016 0.000 2.404 183 G HA2 -0.118 3.840 3.960 -0.002 0.000 0.215 183 G HA3 -0.118 3.840 3.960 -0.002 0.000 0.215 183 G C 1.124 176.035 174.900 0.018 0.000 1.174 183 G CA 0.651 45.755 45.100 0.007 0.000 0.780 183 G HN 0.751 nan 8.290 nan 0.000 0.537 184 D N 0.297 120.726 120.400 0.048 0.000 2.144 184 D HA -0.019 4.619 4.640 -0.002 0.000 0.200 184 D C 2.336 178.683 176.300 0.078 0.000 0.978 184 D CA 0.735 54.803 54.000 0.113 0.000 0.833 184 D CB -0.139 40.787 40.800 0.211 0.000 0.961 184 D HN 0.436 nan 8.370 nan 0.000 0.470 185 E N -0.200 119.923 120.200 -0.128 0.000 2.038 185 E HA -0.176 4.173 4.350 -0.002 0.000 0.195 185 E C 2.011 178.657 176.600 0.077 0.000 1.000 185 E CA 0.505 56.745 56.400 -0.267 0.000 0.803 185 E CB -0.125 29.451 29.700 -0.207 0.000 0.750 185 E HN 0.093 nan 8.360 nan 0.000 0.448 186 L N 1.191 122.423 121.223 0.015 0.000 1.990 186 L HA -0.228 4.110 4.340 -0.002 0.000 0.213 186 L C 2.105 178.975 176.870 -0.000 0.000 1.072 186 L CA 1.663 56.479 54.840 -0.040 0.000 0.755 186 L CB -0.365 41.627 42.059 -0.113 0.000 0.889 186 L HN 0.199 nan 8.230 nan 0.000 0.432 187 I N -1.364 119.227 120.570 0.034 0.000 2.151 187 I HA -0.362 3.807 4.170 -0.002 0.000 0.243 187 I C 2.405 178.600 176.117 0.131 0.000 1.080 187 I CA 1.883 63.214 61.300 0.051 0.000 1.339 187 I CB -0.520 37.515 38.000 0.058 0.000 1.039 187 I HN 0.345 nan 8.210 nan 0.000 0.409 188 F N 1.813 121.818 119.950 0.091 0.000 2.126 188 F HA -0.279 4.246 4.527 -0.003 0.000 0.299 188 F C 2.446 178.334 175.800 0.147 0.000 1.096 188 F CA 1.600 59.689 58.000 0.148 0.000 1.255 188 F CB -0.378 38.779 39.000 0.262 0.000 0.997 188 F HN 0.014 nan 8.300 nan 0.000 0.479 189 A N -0.027 122.901 122.820 0.181 0.000 1.877 189 A HA -0.195 4.123 4.320 -0.002 0.000 0.216 189 A C 2.261 179.773 177.584 -0.119 0.000 1.186 189 A CA 2.539 54.600 52.037 0.041 0.000 0.620 189 A CB -1.665 17.356 19.000 0.035 0.000 0.822 189 A HN 0.539 nan 8.150 nan 0.000 0.443 190 T N -1.687 112.818 114.554 -0.081 0.000 2.833 190 T HA -0.114 4.234 4.350 -0.002 0.000 0.269 190 T C 1.730 176.464 174.700 0.056 0.000 1.054 190 T CA 1.609 63.687 62.100 -0.037 0.000 1.135 190 T CB -0.272 68.583 68.868 -0.022 0.000 0.869 190 T HN 0.548 nan 8.240 nan 0.000 0.466 191 K N 0.331 120.754 120.400 0.039 0.000 2.116 191 K HA 0.077 4.396 4.320 -0.002 0.000 0.203 191 K C 2.789 179.403 176.600 0.023 0.000 1.052 191 K CA 0.608 56.989 56.287 0.156 0.000 0.952 191 K CB -0.070 32.539 32.500 0.182 0.000 0.729 191 K HN 0.229 nan 8.250 nan 0.000 0.446 192 Q N 0.567 120.218 119.800 -0.248 0.000 2.119 192 Q HA -0.066 4.273 4.340 -0.002 0.000 0.201 192 Q C 2.180 178.029 176.000 -0.251 0.000 0.972 192 Q CA 1.436 57.010 55.803 -0.381 0.000 0.847 192 Q CB -0.216 28.174 28.738 -0.580 0.000 0.903 192 Q HN 0.301 nan 8.270 nan 0.000 0.433 193 A N 0.183 122.857 122.820 -0.242 0.000 1.902 193 A HA -0.188 4.130 4.320 -0.002 0.000 0.217 193 A C 1.806 179.299 177.584 -0.152 0.000 1.181 193 A CA 1.389 53.179 52.037 -0.411 0.000 0.623 193 A CB -0.896 17.539 19.000 -0.942 0.000 0.818 193 A HN 0.528 nan 8.150 nan 0.000 0.443 194 W N 0.929 122.173 121.300 -0.093 0.000 2.378 194 W HA -0.116 4.542 4.660 -0.003 0.000 0.313 194 W C 2.333 178.758 176.519 -0.157 0.000 1.197 194 W CA 1.510 58.825 57.345 -0.051 0.000 1.304 194 W CB -0.825 28.593 29.460 -0.070 0.000 1.148 194 W HN 0.373 nan 8.180 nan 0.000 0.494 195 R N 0.521 120.924 120.500 -0.160 0.000 2.211 195 R HA -0.193 4.145 4.340 -0.002 0.000 0.240 195 R C 1.126 177.263 176.300 -0.272 0.000 1.144 195 R CA 1.815 57.660 56.100 -0.426 0.000 0.992 195 R CB -0.499 29.338 30.300 -0.772 0.000 0.869 195 R HN 0.094 nan 8.270 nan 0.000 0.462 196 N N -0.042 118.536 118.700 -0.203 0.000 2.280 196 N HA 0.082 4.821 4.740 -0.002 0.000 0.192 196 N C -0.691 174.709 175.510 -0.183 0.000 1.109 196 N CA 0.474 53.425 53.050 -0.165 0.000 0.855 196 N CB 1.061 39.481 38.487 -0.111 0.000 0.974 196 N HN 0.161 nan 8.380 nan 0.000 0.482 197 A N 1.951 124.662 122.820 -0.183 0.000 2.444 197 A HA 0.266 4.584 4.320 -0.002 0.000 0.287 197 A C -1.257 176.222 177.584 -0.175 0.000 1.195 197 A CA -0.906 50.973 52.037 -0.264 0.000 0.858 197 A CB 0.360 19.282 19.000 -0.130 0.000 1.117 197 A HN -0.005 nan 8.150 nan 0.000 0.521 198 P HA -0.141 nan 4.420 nan 0.000 0.216 198 P C 0.946 178.178 177.300 -0.113 0.000 1.150 198 P CA 1.227 64.258 63.100 -0.114 0.000 0.837 198 P CB 0.138 31.783 31.700 -0.092 0.000 0.786 199 R N -2.082 118.297 120.500 -0.202 0.000 2.356 199 R HA 0.170 4.509 4.340 -0.002 0.000 0.234 199 R C 0.073 176.347 176.300 -0.045 0.000 0.929 199 R CA -0.199 55.808 56.100 -0.154 0.000 1.084 199 R CB -0.591 29.396 30.300 -0.521 0.000 1.105 199 R HN 0.164 nan 8.270 nan 0.000 0.515 200 C N 0.810 120.066 119.300 -0.074 0.000 2.265 200 C HA 0.297 4.756 4.460 -0.002 0.000 0.332 200 C C 1.784 176.708 174.990 -0.110 0.000 1.248 200 C CA -0.765 58.231 59.018 -0.036 0.000 1.727 200 C CB -0.585 27.186 27.740 0.051 0.000 2.348 200 C HN 0.597 nan 8.230 nan 0.000 0.519 201 I N 3.985 124.472 120.570 -0.139 0.000 3.251 201 I HA 0.159 4.328 4.170 -0.002 0.000 0.277 201 I C 1.660 177.767 176.117 -0.017 0.000 1.268 201 I CA 0.855 62.007 61.300 -0.247 0.000 1.449 201 I CB 0.114 37.993 38.000 -0.200 0.000 1.083 201 I HN 0.886 nan 8.210 nan 0.000 0.464 202 G N 0.849 109.647 108.800 -0.003 0.000 4.291 202 G HA2 0.156 4.115 3.960 -0.002 0.000 0.304 202 G HA3 0.156 4.115 3.960 -0.002 0.000 0.304 202 G C 0.917 175.790 174.900 -0.045 0.000 1.264 202 G CA -0.436 44.666 45.100 0.003 0.000 1.039 202 G HN 0.219 nan 8.290 nan 0.000 0.578 203 R N -0.001 120.337 120.500 -0.270 0.000 2.307 203 R HA 0.048 4.386 4.340 -0.002 0.000 0.199 203 R C 1.813 177.668 176.300 -0.741 0.000 1.000 203 R CA -0.124 55.534 56.100 -0.737 0.000 1.023 203 R CB -0.082 29.558 30.300 -1.100 0.000 0.908 203 R HN 0.425 nan 8.270 nan 0.000 0.473 204 I N 1.645 121.965 120.570 -0.417 0.000 2.657 204 I HA -0.223 3.945 4.170 -0.002 0.000 0.261 204 I C 1.592 177.626 176.117 -0.139 0.000 1.212 204 I CA 1.548 62.820 61.300 -0.045 0.000 1.453 204 I CB -0.003 38.040 38.000 0.073 0.000 1.092 204 I HN 0.048 nan 8.210 nan 0.000 0.452 205 Q N -0.230 119.387 119.800 -0.306 0.000 2.384 205 Q HA -0.055 4.283 4.340 -0.002 0.000 0.207 205 Q C 1.806 177.276 176.000 -0.883 0.000 0.904 205 Q CA 0.605 56.187 55.803 -0.369 0.000 0.933 205 Q CB -0.424 28.281 28.738 -0.055 0.000 1.077 205 Q HN 0.823 nan 8.270 nan 0.000 0.522 206 W N 1.522 121.925 121.300 -1.494 0.000 2.256 206 W HA -0.303 4.356 4.660 -0.002 0.000 0.311 206 W C 1.257 177.399 176.519 -0.628 0.000 1.258 206 W CA 1.696 58.005 57.345 -1.726 0.000 1.269 206 W CB -1.577 27.203 29.460 -1.134 0.000 1.134 206 W HN 0.182 nan 8.180 nan 0.000 0.518 207 S N 0.429 115.330 115.700 -1.332 0.000 2.603 207 S HA 0.019 4.487 4.470 -0.002 0.000 0.220 207 S C 0.447 174.802 174.600 -0.409 0.000 0.967 207 S CA 0.082 57.684 58.200 -0.996 0.000 0.920 207 S CB -0.656 61.672 63.200 -1.455 0.000 0.773 207 S HN 0.176 nan 8.310 nan 0.000 0.529 208 N N 1.845 120.406 118.700 -0.232 0.000 2.936 208 N HA 0.450 5.188 4.740 -0.002 0.000 0.243 208 N C -1.531 174.058 175.510 0.131 0.000 1.149 208 N CA -0.240 52.791 53.050 -0.032 0.000 0.914 208 N CB 1.316 39.812 38.487 0.016 0.000 1.179 208 N HN 0.324 nan 8.380 nan 0.000 0.502 209 L N 1.565 122.842 121.223 0.089 0.000 2.409 209 L HA 0.396 4.734 4.340 -0.002 0.000 0.272 209 L C -0.545 176.289 176.870 -0.059 0.000 0.980 209 L CA -0.663 54.229 54.840 0.085 0.000 0.826 209 L CB 2.057 44.215 42.059 0.166 0.000 1.268 209 L HN 0.169 nan 8.230 nan 0.000 0.407 210 Q N 2.921 122.635 119.800 -0.144 0.000 2.286 210 Q HA 0.564 4.903 4.340 -0.002 0.000 0.257 210 Q C -1.565 174.101 176.000 -0.556 0.000 0.941 210 Q CA -0.089 55.460 55.803 -0.423 0.000 0.912 210 Q CB 1.392 29.727 28.738 -0.671 0.000 1.192 210 Q HN 0.516 nan 8.270 nan 0.000 0.410 211 V N 6.001 125.570 119.914 -0.575 0.000 2.326 211 V HA 0.369 4.487 4.120 -0.002 0.000 0.281 211 V C -0.924 174.859 176.094 -0.519 0.000 1.015 211 V CA -0.613 61.416 62.300 -0.452 0.000 0.823 211 V CB 0.302 31.979 31.823 -0.243 0.000 1.009 211 V HN 0.648 nan 8.190 nan 0.000 0.436 212 F N 2.870 122.645 119.950 -0.292 0.000 2.390 212 F HA 0.353 4.878 4.527 -0.003 0.000 0.361 212 F C 0.653 176.287 175.800 -0.277 0.000 1.124 212 F CA -0.873 56.963 58.000 -0.273 0.000 1.149 212 F CB 0.744 39.566 39.000 -0.297 0.000 1.160 212 F HN 0.436 nan 8.300 nan 0.000 0.501 213 D N 3.428 123.799 120.400 -0.048 0.000 2.365 213 D HA 0.381 5.019 4.640 -0.002 0.000 0.237 213 D C 0.064 176.274 176.300 -0.150 0.000 1.190 213 D CA 0.009 53.941 54.000 -0.114 0.000 0.867 213 D CB 1.106 41.862 40.800 -0.073 0.000 1.050 213 D HN 0.597 nan 8.370 nan 0.000 0.491 214 A N 4.594 127.239 122.820 -0.292 0.000 2.631 214 A HA 0.171 4.489 4.320 -0.002 0.000 0.294 214 A C 1.503 178.969 177.584 -0.197 0.000 1.156 214 A CA -0.438 51.346 52.037 -0.421 0.000 0.963 214 A CB 0.053 18.452 19.000 -1.002 0.000 1.202 214 A HN 0.560 nan 8.150 nan 0.000 0.523 215 R N -0.201 120.227 120.500 -0.120 0.000 2.328 215 R HA 0.005 4.344 4.340 -0.002 0.000 0.207 215 R C 0.955 177.198 176.300 -0.094 0.000 1.056 215 R CA 1.156 57.213 56.100 -0.071 0.000 1.016 215 R CB 0.016 30.315 30.300 -0.002 0.000 0.872 215 R HN 0.356 nan 8.270 nan 0.000 0.471 216 S N -0.245 115.417 115.700 -0.065 0.000 2.556 216 S HA 0.042 4.510 4.470 -0.002 0.000 0.216 216 S C 0.571 175.154 174.600 -0.029 0.000 0.970 216 S CA -0.467 57.711 58.200 -0.037 0.000 0.912 216 S CB 0.096 63.300 63.200 0.006 0.000 0.790 216 S HN 0.360 nan 8.310 nan 0.000 0.504 217 C N 2.752 122.015 119.300 -0.061 0.000 2.727 217 C HA 0.333 4.792 4.460 -0.002 0.000 0.401 217 C C 1.717 176.673 174.990 -0.057 0.000 1.294 217 C CA 0.694 59.712 59.018 -0.001 0.000 2.134 217 C CB 0.320 28.087 27.740 0.045 0.000 2.724 217 C HN 0.573 nan 8.230 nan 0.000 0.677 218 S N 0.582 116.361 115.700 0.132 0.000 2.800 218 S HA 0.215 4.683 4.470 -0.002 0.000 0.266 218 S C -0.015 174.764 174.600 0.299 0.000 1.029 218 S CA 0.377 58.741 58.200 0.274 0.000 1.302 218 S CB -0.220 63.078 63.200 0.162 0.000 1.212 218 S HN 1.107 nan 8.310 nan 0.000 0.683 219 T N -1.883 112.801 114.554 0.217 0.000 2.865 219 T HA 0.850 5.199 4.350 -0.002 0.000 0.294 219 T C 1.101 175.825 174.700 0.040 0.000 1.119 219 T CA -0.188 61.980 62.100 0.114 0.000 1.007 219 T CB 1.270 70.189 68.868 0.086 0.000 1.225 219 T HN 0.293 nan 8.240 nan 0.000 0.515 220 A N 0.383 123.195 122.820 -0.013 0.000 1.968 220 A HA 0.067 4.386 4.320 -0.002 0.000 0.217 220 A C 2.343 179.654 177.584 -0.455 0.000 1.169 220 A CA 1.384 53.336 52.037 -0.142 0.000 0.638 220 A CB -0.745 18.312 19.000 0.095 0.000 0.812 220 A HN 0.888 nan 8.150 nan 0.000 0.446 221 R N -0.313 120.073 120.500 -0.190 0.000 2.090 221 R HA -0.094 4.244 4.340 -0.002 0.000 0.228 221 R C 2.088 178.330 176.300 -0.096 0.000 1.110 221 R CA 1.434 57.412 56.100 -0.205 0.000 0.973 221 R CB -0.245 30.150 30.300 0.159 0.000 0.869 221 R HN 0.670 nan 8.270 nan 0.000 0.440 222 E N 0.199 120.388 120.200 -0.019 0.000 2.110 222 E HA -0.217 4.131 4.350 -0.002 0.000 0.193 222 E C 1.933 178.606 176.600 0.121 0.000 0.988 222 E CA 1.416 57.841 56.400 0.041 0.000 0.804 222 E CB 0.041 29.809 29.700 0.114 0.000 0.745 222 E HN 0.389 nan 8.360 nan 0.000 0.458 223 M N -0.292 119.330 119.600 0.037 0.000 2.077 223 M HA -0.131 4.348 4.480 -0.002 0.000 0.261 223 M C 2.212 178.557 176.300 0.075 0.000 1.070 223 M CA 1.226 56.566 55.300 0.065 0.000 1.125 223 M CB -0.446 31.953 32.600 -0.334 0.000 1.339 223 M HN 0.160 nan 8.290 nan 0.000 0.409 224 F N 1.752 121.501 119.950 -0.334 0.000 2.154 224 F HA -0.236 4.289 4.527 -0.003 0.000 0.301 224 F C 2.019 177.733 175.800 -0.143 0.000 1.087 224 F CA 1.819 59.617 58.000 -0.337 0.000 1.274 224 F CB -0.303 38.255 39.000 -0.736 0.000 1.009 224 F HN 0.200 nan 8.300 nan 0.000 0.485 225 E N -1.338 118.687 120.200 -0.291 0.000 2.072 225 E HA -0.200 4.148 4.350 -0.002 0.000 0.190 225 E C 2.153 178.563 176.600 -0.316 0.000 0.982 225 E CA 1.087 57.271 56.400 -0.360 0.000 0.803 225 E CB -0.474 29.079 29.700 -0.244 0.000 0.755 225 E HN 0.519 nan 8.360 nan 0.000 0.453 226 H N 0.582 119.567 119.070 -0.142 0.000 2.387 226 H HA -0.063 4.492 4.556 -0.002 0.000 0.299 226 H C 2.246 177.461 175.328 -0.188 0.000 1.090 226 H CA 1.054 57.014 56.048 -0.146 0.000 1.332 226 H CB -0.019 29.753 29.762 0.018 0.000 1.386 226 H HN 0.173 nan 8.280 nan 0.000 0.516 227 I N -0.147 120.430 120.570 0.010 0.000 2.315 227 I HA -0.266 3.902 4.170 -0.002 0.000 0.248 227 I C 2.495 178.514 176.117 -0.163 0.000 1.117 227 I CA 0.649 61.921 61.300 -0.047 0.000 1.404 227 I CB -0.093 37.906 38.000 -0.002 0.000 1.071 227 I HN 0.227 nan 8.210 nan 0.000 0.419 228 C N 0.059 119.172 119.300 -0.312 0.000 2.435 228 C HA -0.117 4.341 4.460 -0.002 0.000 0.279 228 C C 2.899 177.775 174.990 -0.191 0.000 1.321 228 C CA 0.579 59.415 59.018 -0.304 0.000 1.752 228 C CB -1.179 26.277 27.740 -0.473 0.000 1.959 228 C HN 0.461 nan 8.230 nan 0.000 0.500 229 R N 0.108 120.469 120.500 -0.231 0.000 2.075 229 R HA -0.155 4.184 4.340 -0.002 0.000 0.232 229 R C 2.197 178.364 176.300 -0.222 0.000 1.126 229 R CA 1.723 57.671 56.100 -0.253 0.000 0.963 229 R CB -0.583 29.477 30.300 -0.401 0.000 0.858 229 R HN 0.771 nan 8.270 nan 0.000 0.435 230 H N -0.473 118.371 119.070 -0.377 0.000 2.299 230 H HA -0.083 4.471 4.556 -0.003 0.000 0.302 230 H C 2.010 177.369 175.328 0.051 0.000 1.078 230 H CA 1.666 57.607 56.048 -0.178 0.000 1.323 230 H CB 0.130 29.814 29.762 -0.130 0.000 1.381 230 H HN 0.033 nan 8.280 nan 0.000 0.498 231 V N 1.210 121.188 119.914 0.106 0.000 2.324 231 V HA -0.298 3.821 4.120 -0.002 0.000 0.250 231 V C 2.659 178.812 176.094 0.098 0.000 1.060 231 V CA 2.271 64.599 62.300 0.046 0.000 1.042 231 V CB -0.642 31.150 31.823 -0.051 0.000 0.650 231 V HN 0.431 nan 8.190 nan 0.000 0.450 232 R N -1.018 119.526 120.500 0.074 0.000 2.062 232 R HA -0.217 4.121 4.340 -0.002 0.000 0.231 232 R C 2.441 178.823 176.300 0.136 0.000 1.136 232 R CA 2.228 58.371 56.100 0.072 0.000 0.948 232 R CB -0.546 29.774 30.300 0.032 0.000 0.845 232 R HN 0.602 nan 8.270 nan 0.000 0.430 233 Y N 0.940 121.297 120.300 0.095 0.000 2.165 233 Y HA -0.204 4.345 4.550 -0.002 0.000 0.286 233 Y C 2.221 178.221 175.900 0.168 0.000 1.155 233 Y CA 2.186 60.380 58.100 0.157 0.000 1.164 233 Y CB -0.133 38.504 38.460 0.295 0.000 0.978 233 Y HN 0.076 nan 8.280 nan 0.000 0.513 234 S N -0.743 115.141 115.700 0.307 0.000 2.377 234 S HA -0.141 4.328 4.470 -0.002 0.000 0.223 234 S C 1.865 176.519 174.600 0.090 0.000 1.030 234 S CA 1.469 59.791 58.200 0.204 0.000 0.970 234 S CB -0.525 62.906 63.200 0.385 0.000 0.830 234 S HN 0.558 nan 8.310 nan 0.000 0.473 235 T N 1.890 116.499 114.554 0.092 0.000 2.759 235 T HA -0.121 4.227 4.350 -0.002 0.000 0.269 235 T C 1.046 175.759 174.700 0.022 0.000 1.042 235 T CA 1.044 63.186 62.100 0.069 0.000 1.140 235 T CB -0.717 68.187 68.868 0.059 0.000 0.864 235 T HN 0.642 nan 8.240 nan 0.000 0.455 236 N N 0.987 119.674 118.700 -0.021 0.000 2.666 236 N HA -0.324 4.415 4.740 -0.002 0.000 0.248 236 N C -0.575 174.915 175.510 -0.034 0.000 1.118 236 N CA 0.600 53.614 53.050 -0.060 0.000 0.722 236 N CB -1.120 37.292 38.487 -0.126 0.000 1.050 236 N HN 0.623 nan 8.380 nan 0.000 0.550 237 N N -2.868 115.825 118.700 -0.013 0.000 2.818 237 N HA -0.214 4.525 4.740 -0.002 0.000 0.250 237 N C 0.769 176.269 175.510 -0.017 0.000 1.108 237 N CA 0.760 53.801 53.050 -0.014 0.000 0.745 237 N CB -1.312 37.163 38.487 -0.019 0.000 1.104 237 N HN 0.744 nan 8.380 nan 0.000 0.557 238 G N -0.102 108.696 108.800 -0.003 0.000 2.436 238 G HA2 -0.287 3.671 3.960 -0.002 0.000 0.204 238 G HA3 -0.287 3.671 3.960 -0.002 0.000 0.204 238 G C -0.071 174.828 174.900 -0.002 0.000 1.026 238 G CA 0.049 45.149 45.100 0.000 0.000 0.658 238 G HN 0.415 nan 8.290 nan 0.000 0.499 239 N N 2.522 121.203 118.700 -0.032 0.000 2.968 239 N HA 0.363 5.101 4.740 -0.002 0.000 0.271 239 N C 0.886 176.370 175.510 -0.043 0.000 1.174 239 N CA -0.445 52.565 53.050 -0.066 0.000 1.096 239 N CB -0.381 38.060 38.487 -0.076 0.000 1.403 239 N HN 0.380 nan 8.380 nan 0.000 0.522 240 I N 1.480 122.057 120.570 0.012 0.000 2.948 240 I HA 0.042 4.211 4.170 -0.002 0.000 0.290 240 I C 0.811 177.033 176.117 0.175 0.000 1.226 240 I CA 0.509 61.884 61.300 0.125 0.000 1.413 240 I CB 0.006 38.179 38.000 0.288 0.000 1.352 240 I HN 0.375 nan 8.210 nan 0.000 0.597 241 R N 2.463 123.075 120.500 0.187 0.000 2.673 241 R HA 0.380 4.718 4.340 -0.002 0.000 0.281 241 R C -0.882 175.576 176.300 0.264 0.000 0.991 241 R CA -0.693 55.533 56.100 0.211 0.000 0.896 241 R CB 2.019 32.297 30.300 -0.035 0.000 1.201 241 R HN 0.538 nan 8.270 nan 0.000 0.457 242 S N 1.496 117.340 115.700 0.241 0.000 2.448 242 S HA 0.516 4.984 4.470 -0.002 0.000 0.279 242 S C -0.423 174.235 174.600 0.098 0.000 1.195 242 S CA -0.416 57.839 58.200 0.092 0.000 1.051 242 S CB 1.191 64.361 63.200 -0.051 0.000 0.948 242 S HN 0.642 nan 8.310 nan 0.000 0.493 243 A N 3.351 126.219 122.820 0.080 0.000 2.485 243 A HA 0.934 5.252 4.320 -0.002 0.000 0.292 243 A C -0.953 176.527 177.584 -0.172 0.000 1.147 243 A CA -0.798 51.159 52.037 -0.132 0.000 0.750 243 A CB 1.253 20.153 19.000 -0.168 0.000 1.331 243 A HN 0.816 nan 8.150 nan 0.000 0.419 244 I N -0.161 120.228 120.570 -0.302 0.000 2.722 244 I HA 0.497 4.665 4.170 -0.002 0.000 0.292 244 I C -1.397 174.662 176.117 -0.098 0.000 1.267 244 I CA -0.050 61.212 61.300 -0.064 0.000 1.036 244 I CB 2.331 40.317 38.000 -0.022 0.000 1.281 244 I HN 0.568 nan 8.210 nan 0.000 0.423 245 T N 6.522 121.069 114.554 -0.012 0.000 2.772 245 T HA 0.418 4.767 4.350 -0.002 0.000 0.288 245 T C -0.613 173.852 174.700 -0.392 0.000 0.994 245 T CA -0.353 61.628 62.100 -0.199 0.000 0.951 245 T CB 1.378 70.082 68.868 -0.273 0.000 0.933 245 T HN 0.276 nan 8.240 nan 0.000 0.447 246 V N 5.443 125.125 119.914 -0.387 0.000 2.304 246 V HA 0.388 4.507 4.120 -0.002 0.000 0.269 246 V C 0.068 175.969 176.094 -0.322 0.000 1.036 246 V CA -0.782 61.316 62.300 -0.337 0.000 0.840 246 V CB -0.735 30.867 31.823 -0.369 0.000 1.036 246 V HN 0.777 nan 8.190 nan 0.000 0.466 247 F N 4.873 124.799 119.950 -0.040 0.000 2.331 247 F HA 0.326 4.852 4.527 -0.003 0.000 0.293 247 F C -1.412 174.360 175.800 -0.047 0.000 1.277 247 F CA -1.861 56.075 58.000 -0.107 0.000 1.204 247 F CB 0.115 39.088 39.000 -0.045 0.000 1.374 247 F HN 0.293 nan 8.300 nan 0.000 0.520 248 P HA -0.054 nan 4.420 nan 0.000 0.269 248 P C -1.482 175.854 177.300 0.061 0.000 1.211 248 P CA -0.042 62.995 63.100 -0.105 0.000 0.781 248 P CB 0.231 31.629 31.700 -0.503 0.000 0.877 249 Q N 1.437 121.174 119.800 -0.104 0.000 2.259 249 Q HA 0.294 4.633 4.340 -0.002 0.000 0.249 249 Q C 0.019 175.871 176.000 -0.248 0.000 0.914 249 Q CA -0.959 54.552 55.803 -0.487 0.000 0.904 249 Q CB 1.090 29.325 28.738 -0.838 0.000 1.213 249 Q HN 0.272 nan 8.270 nan 0.000 0.428 250 R N 1.641 122.003 120.500 -0.231 0.000 2.585 250 R HA -0.040 4.299 4.340 -0.002 0.000 0.275 250 R C -0.083 176.148 176.300 -0.114 0.000 1.018 250 R CA 0.965 57.011 56.100 -0.090 0.000 1.072 250 R CB 0.511 30.761 30.300 -0.083 0.000 0.953 250 R HN 1.024 nan 8.270 nan 0.000 0.419 251 S N 2.093 117.770 115.700 -0.040 0.000 2.860 251 S HA -0.033 4.436 4.470 -0.002 0.000 0.181 251 S C 0.809 175.392 174.600 -0.028 0.000 0.763 251 S CA 0.213 58.382 58.200 -0.052 0.000 0.829 251 S CB -0.090 63.081 63.200 -0.047 0.000 0.793 251 S HN 0.826 nan 8.310 nan 0.000 0.614 252 D N 0.288 120.697 120.400 0.015 0.000 2.369 252 D HA 0.305 4.943 4.640 -0.002 0.000 0.211 252 D C 1.335 177.662 176.300 0.044 0.000 1.077 252 D CA 0.655 54.673 54.000 0.030 0.000 0.842 252 D CB -0.119 40.713 40.800 0.053 0.000 0.947 252 D HN 0.882 nan 8.370 nan 0.000 0.509 253 G N 0.916 109.745 108.800 0.049 0.000 2.179 253 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.260 253 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.260 253 G C 0.955 175.876 174.900 0.035 0.000 0.977 253 G CA 0.488 45.606 45.100 0.029 0.000 0.641 253 G HN 0.465 nan 8.290 nan 0.000 0.533 254 K N -0.788 119.665 120.400 0.088 0.000 2.373 254 K HA 0.244 4.562 4.320 -0.002 0.000 0.200 254 K C 0.558 177.039 176.600 -0.198 0.000 1.054 254 K CA 0.318 56.588 56.287 -0.029 0.000 1.065 254 K CB 0.459 32.935 32.500 -0.039 0.000 0.886 254 K HN 0.479 nan 8.250 nan 0.000 0.546 255 H N 0.549 119.605 119.070 -0.022 0.000 2.505 255 H HA 0.203 4.758 4.556 -0.003 0.000 0.260 255 H C -1.029 174.266 175.328 -0.056 0.000 1.168 255 H CA -0.868 55.149 56.048 -0.053 0.000 0.945 255 H CB 0.067 29.832 29.762 0.004 0.000 1.800 255 H HN -0.015 nan 8.280 nan 0.000 0.586 256 D N 0.338 120.757 120.400 0.033 0.000 2.399 256 D HA 0.024 4.663 4.640 -0.002 0.000 0.241 256 D C -0.182 176.083 176.300 -0.059 0.000 1.133 256 D CA 0.413 54.460 54.000 0.078 0.000 0.890 256 D CB 0.596 41.427 40.800 0.051 0.000 1.201 256 D HN 0.123 nan 8.370 nan 0.000 0.432 257 F N 1.781 121.735 119.950 0.008 0.000 2.388 257 F HA 0.419 4.944 4.527 -0.003 0.000 0.358 257 F C 0.792 176.581 175.800 -0.018 0.000 1.122 257 F CA -0.521 57.440 58.000 -0.066 0.000 1.056 257 F CB 0.868 39.796 39.000 -0.120 0.000 1.155 257 F HN -0.083 nan 8.300 nan 0.000 0.461 258 R N 1.606 122.145 120.500 0.064 0.000 2.740 258 R HA 0.738 5.076 4.340 -0.002 0.000 0.273 258 R C -1.743 174.642 176.300 0.142 0.000 0.998 258 R CA -1.203 54.982 56.100 0.140 0.000 0.900 258 R CB 2.645 33.044 30.300 0.165 0.000 1.223 258 R HN 0.264 nan 8.270 nan 0.000 0.466 259 V N 1.764 121.782 119.914 0.174 0.000 2.370 259 V HA 0.129 4.247 4.120 -0.002 0.000 0.283 259 V C -0.056 176.202 176.094 0.274 0.000 1.023 259 V CA -0.436 61.961 62.300 0.161 0.000 0.857 259 V CB 1.176 33.068 31.823 0.114 0.000 0.985 259 V HN 0.786 nan 8.190 nan 0.000 0.443 260 W N 2.254 123.539 121.300 -0.026 0.000 2.467 260 W HA 0.031 4.689 4.660 -0.002 0.000 0.275 260 W C 1.000 177.548 176.519 0.048 0.000 1.239 260 W CA -0.358 56.988 57.345 0.001 0.000 1.266 260 W CB -0.677 28.828 29.460 0.076 0.000 1.112 260 W HN 0.536 nan 8.180 nan 0.000 0.576 261 N N 0.118 118.968 118.700 0.251 0.000 2.479 261 N HA 0.214 4.953 4.740 -0.002 0.000 0.257 261 N C 1.179 176.734 175.510 0.075 0.000 1.232 261 N CA 0.764 53.904 53.050 0.149 0.000 0.920 261 N CB 0.537 39.054 38.487 0.050 0.000 1.105 261 N HN -0.062 nan 8.380 nan 0.000 0.444 262 A N 1.453 124.317 122.820 0.072 0.000 1.972 262 A HA -0.116 4.202 4.320 -0.002 0.000 0.219 262 A C 0.431 177.999 177.584 -0.026 0.000 1.169 262 A CA 1.435 53.491 52.037 0.032 0.000 0.635 262 A CB -0.123 18.919 19.000 0.070 0.000 0.810 262 A HN 0.748 nan 8.150 nan 0.000 0.446 263 Q N -2.358 117.415 119.800 -0.044 0.000 2.501 263 Q HA 0.525 4.864 4.340 -0.002 0.000 0.288 263 Q C 0.209 176.123 176.000 -0.142 0.000 1.051 263 Q CA -0.697 55.040 55.803 -0.109 0.000 0.788 263 Q CB 1.569 30.252 28.738 -0.092 0.000 1.469 263 Q HN 0.187 nan 8.270 nan 0.000 0.416 264 L N 0.221 121.333 121.223 -0.184 0.000 2.093 264 L HA 0.079 4.417 4.340 -0.002 0.000 0.208 264 L C 0.466 177.197 176.870 -0.233 0.000 1.085 264 L CA 1.270 56.000 54.840 -0.183 0.000 0.755 264 L CB 0.059 41.990 42.059 -0.214 0.000 0.904 264 L HN 0.462 nan 8.230 nan 0.000 0.435 265 I N -0.343 120.007 120.570 -0.367 0.000 2.468 265 I HA 0.358 4.527 4.170 -0.002 0.000 0.284 265 I C -0.417 175.116 176.117 -0.973 0.000 1.038 265 I CA -0.351 60.590 61.300 -0.598 0.000 1.083 265 I CB 1.907 39.511 38.000 -0.660 0.000 1.223 265 I HN 0.001 nan 8.210 nan 0.000 0.443 266 R N 4.213 124.279 120.500 -0.723 0.000 2.604 266 R HA 0.482 4.820 4.340 -0.002 0.000 0.270 266 R C -1.598 174.494 176.300 -0.346 0.000 1.052 266 R CA -0.737 54.997 56.100 -0.610 0.000 0.902 266 R CB 1.912 32.078 30.300 -0.224 0.000 1.233 266 R HN 0.275 nan 8.270 nan 0.000 0.455 267 Y N 1.148 121.439 120.300 -0.016 0.000 2.397 267 Y HA 0.342 4.890 4.550 -0.002 0.000 0.335 267 Y C 0.909 176.846 175.900 0.063 0.000 1.213 267 Y CA -0.273 57.890 58.100 0.104 0.000 1.391 267 Y CB 0.719 39.354 38.460 0.292 0.000 1.293 267 Y HN 0.634 nan 8.280 nan 0.000 0.557 268 A N 1.476 124.424 122.820 0.214 0.000 2.407 268 A HA 0.594 4.912 4.320 -0.002 0.000 0.248 268 A C 0.575 178.053 177.584 -0.175 0.000 1.082 268 A CA 0.142 52.131 52.037 -0.081 0.000 0.785 268 A CB -0.151 18.730 19.000 -0.199 0.000 1.020 268 A HN 0.937 nan 8.150 nan 0.000 0.489 269 G N 0.831 109.452 108.800 -0.298 0.000 2.744 269 G HA2 0.517 4.476 3.960 -0.002 0.000 0.309 269 G HA3 0.517 4.476 3.960 -0.002 0.000 0.309 269 G C -1.013 173.739 174.900 -0.246 0.000 1.328 269 G CA -0.278 44.714 45.100 -0.179 0.000 1.034 269 G HN 0.542 nan 8.290 nan 0.000 0.518 270 Y N 1.497 121.832 120.300 0.058 0.000 2.539 270 Y HA 0.221 4.770 4.550 -0.002 0.000 0.352 270 Y C 0.980 176.918 175.900 0.063 0.000 1.004 270 Y CA -0.729 57.423 58.100 0.086 0.000 1.278 270 Y CB 1.303 39.856 38.460 0.155 0.000 1.136 270 Y HN 0.492 nan 8.280 nan 0.000 0.528 271 Q N 4.233 124.117 119.800 0.141 0.000 2.337 271 Q HA 0.072 4.411 4.340 -0.002 0.000 0.255 271 Q C -0.516 175.541 176.000 0.095 0.000 1.205 271 Q CA 0.127 55.982 55.803 0.085 0.000 0.902 271 Q CB 0.026 28.787 28.738 0.039 0.000 1.433 271 Q HN 0.472 nan 8.270 nan 0.000 0.471 272 M N 5.832 125.482 119.600 0.083 0.000 2.245 272 M HA 0.072 4.550 4.480 -0.002 0.000 0.344 272 M C -1.479 174.840 176.300 0.032 0.000 1.170 272 M CA -1.937 53.397 55.300 0.056 0.000 1.135 272 M CB 0.149 32.773 32.600 0.040 0.000 1.574 272 M HN 0.370 nan 8.290 nan 0.000 0.452 273 P HA -0.127 nan 4.420 nan 0.000 0.222 273 P C 0.072 177.376 177.300 0.006 0.000 1.147 273 P CA 1.123 64.229 63.100 0.010 0.000 0.790 273 P CB -0.024 31.676 31.700 0.000 0.000 0.780 274 D N -2.140 118.263 120.400 0.005 0.000 2.434 274 D HA 0.215 4.854 4.640 -0.002 0.000 0.232 274 D C 1.434 177.738 176.300 0.007 0.000 1.166 274 D CA 0.116 54.118 54.000 0.003 0.000 0.830 274 D CB -0.786 40.013 40.800 -0.001 0.000 0.960 274 D HN 0.099 nan 8.370 nan 0.000 0.497 275 G N -0.014 108.792 108.800 0.011 0.000 2.507 275 G HA2 -0.415 3.543 3.960 -0.002 0.000 0.240 275 G HA3 -0.415 3.543 3.960 -0.002 0.000 0.240 275 G C 0.735 175.643 174.900 0.014 0.000 1.119 275 G CA 0.437 45.544 45.100 0.012 0.000 0.664 275 G HN 0.703 nan 8.290 nan 0.000 0.516 276 S N 0.049 115.757 115.700 0.014 0.000 2.586 276 S HA 0.437 4.906 4.470 -0.002 0.000 0.256 276 S C 0.306 174.919 174.600 0.020 0.000 1.392 276 S CA 0.839 59.047 58.200 0.014 0.000 0.983 276 S CB 0.118 63.325 63.200 0.011 0.000 0.897 276 S HN 0.855 nan 8.310 nan 0.000 0.566 277 I N 1.239 121.818 120.570 0.015 0.000 2.644 277 I HA 0.367 4.536 4.170 -0.002 0.000 0.291 277 I C -0.352 175.772 176.117 0.012 0.000 1.180 277 I CA -0.455 60.857 61.300 0.019 0.000 1.040 277 I CB 2.121 40.116 38.000 -0.008 0.000 1.255 277 I HN 0.598 nan 8.210 nan 0.000 0.422 278 R N 4.550 125.091 120.500 0.068 0.000 2.393 278 R HA 0.725 5.064 4.340 -0.002 0.000 0.315 278 R C 0.114 176.484 176.300 0.116 0.000 0.952 278 R CA 0.399 56.544 56.100 0.075 0.000 0.842 278 R CB 1.527 31.894 30.300 0.113 0.000 1.163 278 R HN 0.940 nan 8.270 nan 0.000 0.450 279 G N 2.924 111.703 108.800 -0.035 0.000 2.443 279 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.209 279 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.209 279 G C -1.319 173.383 174.900 -0.330 0.000 1.176 279 G CA -0.212 44.860 45.100 -0.045 0.000 1.074 279 G HN 0.585 nan 8.290 nan 0.000 0.577 280 D N 2.425 122.787 120.400 -0.064 0.000 2.443 280 D HA 0.475 5.113 4.640 -0.002 0.000 0.221 280 D C -0.753 175.530 176.300 -0.029 0.000 1.097 280 D CA -1.589 52.381 54.000 -0.050 0.000 0.865 280 D CB 1.537 42.561 40.800 0.373 0.000 1.034 280 D HN 0.058 nan 8.370 nan 0.000 0.511 281 P HA -0.158 nan 4.420 nan 0.000 0.220 281 P C 0.983 178.297 177.300 0.023 0.000 1.144 281 P CA 0.592 63.674 63.100 -0.029 0.000 0.800 281 P CB 0.304 31.982 31.700 -0.037 0.000 0.772 282 A N 0.020 122.881 122.820 0.068 0.000 2.066 282 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 282 A C 1.394 179.035 177.584 0.095 0.000 1.157 282 A CA 0.973 53.070 52.037 0.101 0.000 0.670 282 A CB -0.661 18.433 19.000 0.157 0.000 0.804 282 A HN 0.187 nan 8.150 nan 0.000 0.453 283 N N -0.024 118.719 118.700 0.072 0.000 2.535 283 N HA 0.229 4.967 4.740 -0.002 0.000 0.294 283 N C 0.580 176.070 175.510 -0.034 0.000 1.408 283 N CA 0.063 53.139 53.050 0.043 0.000 0.927 283 N CB 1.174 39.693 38.487 0.053 0.000 1.276 283 N HN 0.173 nan 8.380 nan 0.000 0.505 284 V N 0.332 120.218 119.914 -0.047 0.000 2.446 284 V HA -0.058 4.060 4.120 -0.002 0.000 0.244 284 V C 2.024 178.021 176.094 -0.161 0.000 1.039 284 V CA 1.008 63.254 62.300 -0.090 0.000 1.045 284 V CB -0.078 31.711 31.823 -0.056 0.000 0.681 284 V HN 0.283 nan 8.190 nan 0.000 0.459 285 E N -0.332 119.741 120.200 -0.211 0.000 2.396 285 E HA -0.174 4.175 4.350 -0.002 0.000 0.200 285 E C 1.834 177.995 176.600 -0.732 0.000 1.023 285 E CA 1.281 57.391 56.400 -0.483 0.000 0.857 285 E CB 0.130 29.530 29.700 -0.500 0.000 0.775 285 E HN 0.618 nan 8.360 nan 0.000 0.525 286 I N -0.897 119.442 120.570 -0.386 0.000 4.244 286 I HA -0.085 4.083 4.170 -0.002 0.000 0.318 286 I C 1.893 177.927 176.117 -0.138 0.000 1.282 286 I CA 0.312 61.474 61.300 -0.231 0.000 1.276 286 I CB 0.388 38.391 38.000 0.006 0.000 1.183 286 I HN -0.109 nan 8.210 nan 0.000 0.431 287 T N 0.915 115.383 114.554 -0.142 0.000 2.746 287 T HA -0.185 4.164 4.350 -0.002 0.000 0.267 287 T C 1.794 176.470 174.700 -0.041 0.000 1.039 287 T CA 1.376 63.403 62.100 -0.122 0.000 1.142 287 T CB -0.080 68.668 68.868 -0.200 0.000 0.866 287 T HN 0.281 nan 8.240 nan 0.000 0.444 288 Q N 0.286 120.044 119.800 -0.069 0.000 2.124 288 Q HA -0.027 4.311 4.340 -0.002 0.000 0.202 288 Q C 2.389 178.374 176.000 -0.026 0.000 0.977 288 Q CA 0.967 56.751 55.803 -0.031 0.000 0.850 288 Q CB -0.652 28.043 28.738 -0.071 0.000 0.901 288 Q HN 0.387 nan 8.270 nan 0.000 0.429 289 L N 0.258 121.443 121.223 -0.063 0.000 2.012 289 L HA -0.197 4.142 4.340 -0.002 0.000 0.210 289 L C 2.377 179.262 176.870 0.024 0.000 1.073 289 L CA 1.762 56.600 54.840 -0.003 0.000 0.748 289 L CB -0.856 41.242 42.059 0.063 0.000 0.891 289 L HN 0.193 nan 8.230 nan 0.000 0.431 290 C N -0.559 118.745 119.300 0.007 0.000 2.413 290 C HA -0.164 4.294 4.460 -0.002 0.000 0.276 290 C C 2.699 177.793 174.990 0.173 0.000 1.248 290 C CA 0.524 59.553 59.018 0.017 0.000 1.742 290 C CB -0.981 26.669 27.740 -0.149 0.000 2.017 290 C HN 0.557 nan 8.230 nan 0.000 0.481 291 I N 1.393 122.086 120.570 0.205 0.000 2.127 291 I HA -0.161 4.007 4.170 -0.002 0.000 0.241 291 I C 1.845 178.025 176.117 0.105 0.000 1.075 291 I CA 1.855 63.273 61.300 0.197 0.000 1.334 291 I CB -1.546 36.549 38.000 0.159 0.000 1.040 291 I HN 0.375 nan 8.210 nan 0.000 0.405 292 D N 0.606 121.035 120.400 0.049 0.000 2.392 292 D HA -0.050 4.589 4.640 -0.002 0.000 0.228 292 D C 1.713 178.006 176.300 -0.012 0.000 1.003 292 D CA 0.588 54.586 54.000 -0.002 0.000 0.917 292 D CB 0.075 40.844 40.800 -0.052 0.000 0.890 292 D HN 0.365 nan 8.370 nan 0.000 0.532 293 L N -1.114 120.125 121.223 0.028 0.000 2.959 293 L HA 0.277 4.616 4.340 -0.002 0.000 0.259 293 L C 1.434 178.322 176.870 0.031 0.000 1.185 293 L CA 0.013 54.863 54.840 0.017 0.000 0.998 293 L CB 0.710 42.778 42.059 0.014 0.000 1.337 293 L HN 0.087 nan 8.230 nan 0.000 0.555 294 G N -1.062 107.773 108.800 0.058 0.000 2.218 294 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.216 294 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.216 294 G C -0.105 174.865 174.900 0.118 0.000 0.994 294 G CA -0.431 44.703 45.100 0.057 0.000 0.637 294 G HN 0.217 nan 8.290 nan 0.000 0.505 295 W N 3.089 124.359 121.300 -0.049 0.000 2.264 295 W HA 0.582 5.241 4.660 -0.002 0.000 0.331 295 W C 0.411 176.919 176.519 -0.018 0.000 1.364 295 W CA -0.025 57.294 57.345 -0.045 0.000 1.253 295 W CB 0.453 29.882 29.460 -0.052 0.000 1.215 295 W HN 0.053 nan 8.180 nan 0.000 0.561 296 K N 8.667 128.792 120.400 -0.458 0.000 2.423 296 K HA 0.212 4.530 4.320 -0.002 0.000 0.234 296 K C -1.959 174.129 176.600 -0.854 0.000 1.051 296 K CA -1.489 54.524 56.287 -0.456 0.000 1.021 296 K CB 0.653 33.026 32.500 -0.212 0.000 1.474 296 K HN 0.250 nan 8.250 nan 0.000 0.474 297 P HA 0.087 nan 4.420 nan 0.000 0.274 297 P C -0.250 176.623 177.300 -0.713 0.000 1.260 297 P CA -0.295 61.980 63.100 -1.375 0.000 0.793 297 P CB 0.966 31.815 31.700 -1.419 0.000 1.048 298 K N -1.811 118.298 120.400 -0.484 0.000 2.355 298 K HA 0.167 4.485 4.320 -0.002 0.000 0.198 298 K C -0.311 176.221 176.600 -0.113 0.000 1.039 298 K CA -0.173 56.016 56.287 -0.163 0.000 1.075 298 K CB -0.793 31.667 32.500 -0.066 0.000 0.870 298 K HN 0.347 nan 8.250 nan 0.000 0.540 299 Y N -0.753 119.216 120.300 -0.552 0.000 3.234 299 Y HA -0.258 4.291 4.550 -0.002 0.000 0.207 299 Y C 0.843 176.469 175.900 -0.456 0.000 1.316 299 Y CA 0.382 57.880 58.100 -1.004 0.000 1.309 299 Y CB -1.998 36.015 38.460 -0.744 0.000 1.408 299 Y HN 0.165 nan 8.280 nan 0.000 0.544 300 G N -0.039 108.705 108.800 -0.093 0.000 2.642 300 G HA2 0.536 4.494 3.960 -0.002 0.000 0.291 300 G HA3 0.536 4.494 3.960 -0.002 0.000 0.291 300 G C 0.699 175.644 174.900 0.076 0.000 1.345 300 G CA -0.885 44.233 45.100 0.030 0.000 1.043 300 G HN 0.255 nan 8.290 nan 0.000 0.528 301 R N -1.269 119.210 120.500 -0.035 0.000 2.246 301 R HA 0.119 4.458 4.340 -0.002 0.000 0.199 301 R C -0.294 175.623 176.300 -0.638 0.000 0.984 301 R CA 0.545 56.473 56.100 -0.286 0.000 1.015 301 R CB 0.158 30.177 30.300 -0.468 0.000 0.930 301 R HN 0.370 nan 8.270 nan 0.000 0.475 302 F N 0.842 120.781 119.950 -0.019 0.000 2.566 302 F HA 0.259 4.784 4.527 -0.003 0.000 0.347 302 F C -0.648 175.127 175.800 -0.041 0.000 1.515 302 F CA -1.191 56.535 58.000 -0.456 0.000 1.103 302 F CB 0.680 39.157 39.000 -0.870 0.000 1.385 302 F HN -0.319 nan 8.300 nan 0.000 0.560 303 D N 1.852 122.460 120.400 0.347 0.000 2.339 303 D HA 0.184 4.822 4.640 -0.002 0.000 0.241 303 D C 0.319 176.908 176.300 0.481 0.000 1.183 303 D CA 0.151 54.407 54.000 0.427 0.000 0.859 303 D CB 2.281 43.385 40.800 0.507 0.000 1.067 303 D HN -0.023 nan 8.370 nan 0.000 0.484 304 V N 3.620 123.787 119.914 0.422 0.000 2.694 304 V HA -0.063 4.055 4.120 -0.002 0.000 0.306 304 V C 0.971 177.111 176.094 0.077 0.000 1.054 304 V CA 0.009 62.441 62.300 0.221 0.000 1.161 304 V CB 0.388 32.282 31.823 0.117 0.000 0.916 304 V HN 0.343 nan 8.190 nan 0.000 0.490 305 L N 8.115 129.268 121.223 -0.117 0.000 2.371 305 L HA 0.366 4.704 4.340 -0.002 0.000 0.272 305 L C -1.784 174.836 176.870 -0.416 0.000 1.124 305 L CA -1.504 53.107 54.840 -0.382 0.000 0.816 305 L CB 1.108 42.985 42.059 -0.303 0.000 1.129 305 L HN 0.496 nan 8.230 nan 0.000 0.448 306 P HA 0.133 nan 4.420 nan 0.000 0.275 306 P C -0.921 176.211 177.300 -0.281 0.000 1.228 306 P CA -0.419 62.398 63.100 -0.472 0.000 0.786 306 P CB 0.788 32.047 31.700 -0.735 0.000 0.927 307 L N 2.182 123.334 121.223 -0.118 0.000 2.418 307 L HA 0.143 4.482 4.340 -0.002 0.000 0.274 307 L C 0.427 177.277 176.870 -0.033 0.000 1.135 307 L CA -0.588 54.235 54.840 -0.029 0.000 0.870 307 L CB 0.428 42.544 42.059 0.096 0.000 1.154 307 L HN 0.118 nan 8.230 nan 0.000 0.462 308 V N 6.104 125.984 119.914 -0.057 0.000 2.322 308 V HA 0.224 4.343 4.120 -0.002 0.000 0.258 308 V C 0.390 176.373 176.094 -0.186 0.000 1.074 308 V CA -0.225 61.988 62.300 -0.145 0.000 0.909 308 V CB 0.333 32.083 31.823 -0.121 0.000 1.090 308 V HN 0.486 nan 8.190 nan 0.000 0.486 309 L N 4.625 125.763 121.223 -0.141 0.000 2.289 309 L HA 0.569 4.908 4.340 -0.002 0.000 0.285 309 L C 0.084 176.779 176.870 -0.291 0.000 1.049 309 L CA -0.251 54.489 54.840 -0.165 0.000 0.804 309 L CB 1.376 43.361 42.059 -0.124 0.000 1.195 309 L HN 0.583 nan 8.230 nan 0.000 0.428 310 Q N 2.961 122.586 119.800 -0.292 0.000 2.368 310 Q HA 0.623 4.962 4.340 -0.002 0.000 0.263 310 Q C -1.204 174.564 176.000 -0.387 0.000 1.009 310 Q CA -0.563 55.039 55.803 -0.335 0.000 0.818 310 Q CB 1.814 30.441 28.738 -0.186 0.000 1.239 310 Q HN 0.792 nan 8.270 nan 0.000 0.464 311 A N 4.232 126.774 122.820 -0.463 0.000 2.318 311 A HA 0.411 4.729 4.320 -0.002 0.000 0.324 311 A C 0.061 177.107 177.584 -0.897 0.000 1.170 311 A CA -0.473 51.090 52.037 -0.790 0.000 0.810 311 A CB 0.726 19.522 19.000 -0.341 0.000 1.198 311 A HN 1.015 nan 8.150 nan 0.000 0.484 312 N N 0.963 118.673 118.700 -1.649 0.000 2.727 312 N HA -0.194 4.545 4.740 -0.002 0.000 0.249 312 N C 1.057 176.349 175.510 -0.363 0.000 1.048 312 N CA 2.402 55.030 53.050 -0.702 0.000 0.714 312 N CB -1.091 37.261 38.487 -0.225 0.000 0.959 312 N HN 2.238 nan 8.380 nan 0.000 0.544 313 G N -1.436 107.135 108.800 -0.382 0.000 2.189 313 G HA2 -0.404 3.554 3.960 -0.002 0.000 0.267 313 G HA3 -0.404 3.554 3.960 -0.002 0.000 0.267 313 G C 0.399 175.183 174.900 -0.193 0.000 0.975 313 G CA 0.750 45.700 45.100 -0.250 0.000 0.644 313 G HN 0.680 nan 8.290 nan 0.000 0.537 314 R N 0.993 121.351 120.500 -0.237 0.000 2.738 314 R HA 0.261 4.600 4.340 -0.002 0.000 0.268 314 R C 0.134 176.289 176.300 -0.242 0.000 1.062 314 R CA -0.287 55.706 56.100 -0.179 0.000 1.158 314 R CB 0.328 30.527 30.300 -0.168 0.000 1.046 314 R HN 0.290 nan 8.270 nan 0.000 0.493 315 D N 2.936 123.221 120.400 -0.192 0.000 2.443 315 D HA -0.001 4.638 4.640 -0.002 0.000 0.234 315 D C -1.871 174.117 176.300 -0.521 0.000 1.172 315 D CA -0.311 53.441 54.000 -0.413 0.000 0.878 315 D CB 0.258 40.955 40.800 -0.171 0.000 1.204 315 D HN 0.285 nan 8.370 nan 0.000 0.453 316 P HA 0.164 nan 4.420 nan 0.000 0.274 316 P C -0.769 176.314 177.300 -0.363 0.000 1.231 316 P CA -0.157 62.514 63.100 -0.715 0.000 0.790 316 P CB 1.207 32.113 31.700 -1.324 0.000 0.951 317 E N 0.590 120.648 120.200 -0.237 0.000 2.317 317 E HA 0.449 4.798 4.350 -0.002 0.000 0.270 317 E C -0.869 175.605 176.600 -0.209 0.000 0.885 317 E CA -1.017 55.271 56.400 -0.185 0.000 0.760 317 E CB 1.366 30.990 29.700 -0.127 0.000 1.227 317 E HN 0.237 nan 8.360 nan 0.000 0.434 318 L N 2.039 123.041 121.223 -0.368 0.000 2.350 318 L HA 0.436 4.774 4.340 -0.002 0.000 0.275 318 L C -0.935 175.491 176.870 -0.740 0.000 1.099 318 L CA 0.350 54.966 54.840 -0.373 0.000 0.808 318 L CB 0.074 41.959 42.059 -0.289 0.000 1.149 318 L HN 0.451 nan 8.230 nan 0.000 0.442 319 F N 0.743 120.464 119.950 -0.382 0.000 2.573 319 F HA 0.382 4.908 4.527 -0.002 0.000 0.316 319 F C 0.094 175.580 175.800 -0.522 0.000 1.148 319 F CA -0.742 56.846 58.000 -0.686 0.000 0.940 319 F CB 1.585 39.935 39.000 -1.083 0.000 1.214 319 F HN 0.402 nan 8.300 nan 0.000 0.448 320 E N 3.660 123.693 120.200 -0.277 0.000 2.249 320 E HA 0.480 4.829 4.350 -0.002 0.000 0.280 320 E C -0.675 176.054 176.600 0.215 0.000 1.016 320 E CA -0.689 55.694 56.400 -0.028 0.000 0.830 320 E CB 1.965 31.686 29.700 0.034 0.000 1.081 320 E HN 0.450 nan 8.360 nan 0.000 0.395 321 I N 4.438 125.161 120.570 0.255 0.000 2.352 321 I HA 0.142 4.310 4.170 -0.002 0.000 0.290 321 I C -2.075 174.157 176.117 0.192 0.000 1.036 321 I CA -2.091 59.388 61.300 0.298 0.000 1.336 321 I CB 0.308 38.393 38.000 0.143 0.000 1.407 321 I HN 0.191 nan 8.210 nan 0.000 0.497 322 P HA -0.040 nan 4.420 nan 0.000 0.257 322 P C -1.928 175.427 177.300 0.092 0.000 1.162 322 P CA -0.553 62.626 63.100 0.132 0.000 0.762 322 P CB 0.048 31.812 31.700 0.107 0.000 0.753 323 P HA -0.267 nan 4.420 nan 0.000 0.219 323 P C 0.771 178.108 177.300 0.062 0.000 1.161 323 P CA 1.752 64.900 63.100 0.081 0.000 0.909 323 P CB -0.257 31.491 31.700 0.080 0.000 0.793 324 D N -1.682 118.749 120.400 0.052 0.000 2.338 324 D HA -0.041 4.598 4.640 -0.002 0.000 0.239 324 D C 1.362 177.681 176.300 0.032 0.000 1.095 324 D CA 0.233 54.256 54.000 0.039 0.000 0.888 324 D CB -0.266 40.554 40.800 0.032 0.000 0.899 324 D HN 0.184 nan 8.370 nan 0.000 0.525 325 L N 0.172 121.415 121.223 0.035 0.000 2.575 325 L HA 0.125 4.463 4.340 -0.002 0.000 0.228 325 L C 0.460 177.343 176.870 0.023 0.000 1.075 325 L CA 0.395 55.248 54.840 0.022 0.000 0.867 325 L CB 0.772 42.839 42.059 0.014 0.000 1.097 325 L HN -0.211 nan 8.230 nan 0.000 0.485 326 V N 2.125 122.058 119.914 0.032 0.000 2.258 326 V HA 0.176 4.295 4.120 -0.002 0.000 0.258 326 V C 0.050 176.174 176.094 0.050 0.000 1.121 326 V CA -0.681 61.637 62.300 0.031 0.000 0.942 326 V CB 0.473 32.314 31.823 0.031 0.000 1.170 326 V HN 0.087 nan 8.190 nan 0.000 0.487 327 L N 4.801 126.054 121.223 0.051 0.000 2.462 327 L HA 0.327 4.665 4.340 -0.002 0.000 0.272 327 L C 0.245 177.150 176.870 0.058 0.000 1.166 327 L CA 1.028 55.893 54.840 0.043 0.000 0.880 327 L CB 0.266 42.345 42.059 0.034 0.000 1.142 327 L HN 0.618 nan 8.230 nan 0.000 0.473 328 E N 2.804 123.020 120.200 0.027 0.000 2.339 328 E HA 0.668 5.017 4.350 -0.002 0.000 0.262 328 E C -1.519 175.028 176.600 -0.089 0.000 0.934 328 E CA -1.029 55.383 56.400 0.021 0.000 0.802 328 E CB 2.364 32.105 29.700 0.069 0.000 1.275 328 E HN 0.402 nan 8.360 nan 0.000 0.427 329 V N 1.292 121.131 119.914 -0.125 0.000 2.531 329 V HA 0.489 4.607 4.120 -0.002 0.000 0.301 329 V C -0.660 175.379 176.094 -0.091 0.000 1.034 329 V CA -0.740 61.422 62.300 -0.229 0.000 0.865 329 V CB 1.597 33.041 31.823 -0.631 0.000 0.995 329 V HN 0.777 nan 8.190 nan 0.000 0.424 330 A N 6.673 129.448 122.820 -0.075 0.000 2.362 330 A HA 0.701 5.020 4.320 -0.002 0.000 0.276 330 A C -0.004 177.600 177.584 0.033 0.000 1.153 330 A CA -0.425 51.598 52.037 -0.023 0.000 0.813 330 A CB 0.245 19.233 19.000 -0.019 0.000 1.081 330 A HN 0.693 nan 8.150 nan 0.000 0.507 331 M N 2.643 122.298 119.600 0.090 0.000 2.146 331 M HA 0.313 4.791 4.480 -0.002 0.000 0.352 331 M C 0.066 176.516 176.300 0.250 0.000 1.343 331 M CA 0.690 56.108 55.300 0.197 0.000 1.115 331 M CB -0.303 32.456 32.600 0.264 0.000 1.657 331 M HN 0.750 nan 8.290 nan 0.000 0.471 332 E N 1.047 121.372 120.200 0.208 0.000 2.367 332 E HA 0.382 4.731 4.350 -0.002 0.000 0.273 332 E C -1.197 175.441 176.600 0.063 0.000 0.903 332 E CA -0.766 55.752 56.400 0.197 0.000 0.764 332 E CB 2.720 32.505 29.700 0.142 0.000 1.252 332 E HN 0.507 nan 8.360 nan 0.000 0.446 333 H N 2.939 121.907 119.070 -0.169 0.000 2.469 333 H HA 0.240 4.794 4.556 -0.002 0.000 0.342 333 H C -1.936 173.130 175.328 -0.436 0.000 1.115 333 H CA -2.366 53.398 56.048 -0.473 0.000 1.204 333 H CB 1.875 31.179 29.762 -0.763 0.000 1.492 333 H HN 0.316 nan 8.280 nan 0.000 0.499 334 P HA -0.063 nan 4.420 nan 0.000 0.236 334 P C 0.374 177.550 177.300 -0.205 0.000 1.172 334 P CA 0.914 63.617 63.100 -0.662 0.000 0.759 334 P CB 0.776 31.901 31.700 -0.959 0.000 0.843 335 K N -1.904 118.517 120.400 0.035 0.000 2.665 335 K HA 0.187 4.506 4.320 -0.002 0.000 0.197 335 K C 0.353 176.952 176.600 -0.002 0.000 1.463 335 K CA 0.253 56.499 56.287 -0.068 0.000 1.107 335 K CB 0.154 32.519 32.500 -0.224 0.000 1.584 335 K HN 0.035 nan 8.250 nan 0.000 0.558 336 Y N 2.548 122.633 120.300 -0.358 0.000 2.613 336 Y HA 0.032 4.581 4.550 -0.003 0.000 0.354 336 Y C 0.482 176.109 175.900 -0.456 0.000 1.063 336 Y CA -0.859 56.848 58.100 -0.654 0.000 1.384 336 Y CB 0.615 38.216 38.460 -1.433 0.000 1.199 336 Y HN 0.108 nan 8.280 nan 0.000 0.517 337 E N 2.143 122.334 120.200 -0.015 0.000 2.265 337 E HA -0.220 4.129 4.350 -0.002 0.000 0.196 337 E C 1.473 178.135 176.600 0.103 0.000 0.996 337 E CA 1.040 57.477 56.400 0.062 0.000 0.832 337 E CB -0.313 29.455 29.700 0.114 0.000 0.756 337 E HN 0.842 nan 8.360 nan 0.000 0.491 338 W N -0.583 120.809 121.300 0.153 0.000 2.905 338 W HA 0.189 4.848 4.660 -0.003 0.000 0.251 338 W C 0.983 177.579 176.519 0.128 0.000 1.305 338 W CA -0.433 56.969 57.345 0.096 0.000 1.465 338 W CB -0.794 28.678 29.460 0.019 0.000 1.122 338 W HN -0.049 nan 8.180 nan 0.000 0.659 339 F N 2.982 122.690 119.950 -0.404 0.000 2.134 339 F HA -0.117 4.408 4.527 -0.003 0.000 0.299 339 F C 2.675 178.464 175.800 -0.019 0.000 1.097 339 F CA 2.146 59.964 58.000 -0.304 0.000 1.264 339 F CB -0.246 38.535 39.000 -0.365 0.000 1.001 339 F HN -0.264 nan 8.300 nan 0.000 0.479 340 R N 0.236 120.835 120.500 0.165 0.000 2.127 340 R HA -0.169 4.169 4.340 -0.002 0.000 0.238 340 R C 1.738 178.082 176.300 0.073 0.000 1.134 340 R CA 1.596 57.767 56.100 0.119 0.000 0.975 340 R CB -0.718 29.648 30.300 0.111 0.000 0.865 340 R HN 0.443 nan 8.270 nan 0.000 0.447 341 E N 0.852 121.113 120.200 0.102 0.000 2.472 341 E HA -0.115 4.234 4.350 -0.002 0.000 0.200 341 E C 1.678 178.308 176.600 0.051 0.000 1.046 341 E CA 0.513 56.969 56.400 0.092 0.000 0.871 341 E CB -0.039 29.744 29.700 0.138 0.000 0.806 341 E HN 0.397 nan 8.360 nan 0.000 0.533 342 L N 0.256 121.473 121.223 -0.011 0.000 2.270 342 L HA -0.008 4.331 4.340 -0.002 0.000 0.210 342 L C 0.557 177.412 176.870 -0.024 0.000 1.104 342 L CA 0.340 55.135 54.840 -0.075 0.000 0.804 342 L CB -0.142 41.735 42.059 -0.303 0.000 0.937 342 L HN 0.063 nan 8.230 nan 0.000 0.450 343 E N 0.893 121.090 120.200 -0.005 0.000 2.287 343 E HA -0.185 4.163 4.350 -0.002 0.000 0.229 343 E C -0.592 176.050 176.600 0.070 0.000 1.194 343 E CA -0.036 56.391 56.400 0.044 0.000 0.704 343 E CB -1.199 28.548 29.700 0.078 0.000 1.216 343 E HN 0.360 nan 8.360 nan 0.000 0.381 344 L N 0.660 121.871 121.223 -0.019 0.000 2.352 344 L HA 0.649 4.987 4.340 -0.002 0.000 0.269 344 L C 0.400 177.158 176.870 -0.187 0.000 1.034 344 L CA -0.405 54.395 54.840 -0.068 0.000 0.806 344 L CB 1.415 43.324 42.059 -0.250 0.000 1.244 344 L HN 0.161 nan 8.230 nan 0.000 0.447 345 K N 0.138 120.268 120.400 -0.450 0.000 2.625 345 K HA 0.421 4.739 4.320 -0.002 0.000 0.284 345 K C -2.167 174.414 176.600 -0.033 0.000 0.984 345 K CA -1.029 55.095 56.287 -0.273 0.000 0.865 345 K CB 2.030 34.301 32.500 -0.381 0.000 1.468 345 K HN 0.601 nan 8.250 nan 0.000 0.407 346 W N 2.418 123.674 121.300 -0.074 0.000 3.062 346 W HA 0.396 5.054 4.660 -0.003 0.000 0.336 346 W C -1.162 175.385 176.519 0.047 0.000 1.224 346 W CA -0.908 56.451 57.345 0.024 0.000 1.159 346 W CB 1.804 31.174 29.460 -0.150 0.000 1.454 346 W HN 0.701 nan 8.180 nan 0.000 0.569 347 Y N 0.692 120.864 120.300 -0.215 0.000 2.307 347 Y HA 0.568 5.117 4.550 -0.003 0.000 0.324 347 Y C 0.729 176.762 175.900 0.221 0.000 1.238 347 Y CA -0.126 57.925 58.100 -0.081 0.000 1.280 347 Y CB 0.320 38.605 38.460 -0.292 0.000 1.248 347 Y HN 0.347 nan 8.280 nan 0.000 0.508 348 A N 2.005 125.027 122.820 0.338 0.000 2.021 348 A HA 0.093 4.412 4.320 -0.002 0.000 0.216 348 A C 0.465 178.362 177.584 0.522 0.000 1.163 348 A CA 0.262 52.557 52.037 0.431 0.000 0.676 348 A CB -0.224 18.898 19.000 0.204 0.000 0.818 348 A HN 0.638 nan 8.150 nan 0.000 0.453 349 L N 2.155 123.632 121.223 0.424 0.000 2.255 349 L HA 0.395 4.733 4.340 -0.002 0.000 0.289 349 L C -2.508 174.500 176.870 0.230 0.000 1.046 349 L CA -2.257 52.747 54.840 0.273 0.000 0.816 349 L CB 1.352 43.492 42.059 0.135 0.000 1.197 349 L HN -0.003 nan 8.230 nan 0.000 0.427 350 P HA 0.358 nan 4.420 nan 0.000 0.291 350 P C -1.470 175.745 177.300 -0.141 0.000 1.378 350 P CA -0.385 62.569 63.100 -0.242 0.000 0.853 350 P CB 1.346 32.510 31.700 -0.893 0.000 1.002 351 A N 4.501 127.251 122.820 -0.117 0.000 2.466 351 A HA 0.385 4.704 4.320 -0.002 0.000 0.291 351 A C -0.175 177.247 177.584 -0.269 0.000 1.234 351 A CA -0.678 51.245 52.037 -0.189 0.000 0.752 351 A CB 0.854 19.719 19.000 -0.225 0.000 1.153 351 A HN 0.285 nan 8.150 nan 0.000 0.458 352 V N 2.244 121.920 119.914 -0.396 0.000 2.509 352 V HA 0.190 4.309 4.120 -0.002 0.000 0.297 352 V C 1.363 177.092 176.094 -0.609 0.000 1.014 352 V CA 1.353 63.345 62.300 -0.514 0.000 1.127 352 V CB 0.619 31.964 31.823 -0.797 0.000 0.925 352 V HN 1.065 nan 8.190 nan 0.000 0.480 353 A N 4.395 127.017 122.820 -0.329 0.000 2.167 353 A HA 0.113 4.432 4.320 -0.002 0.000 0.208 353 A C 1.306 178.812 177.584 -0.129 0.000 1.198 353 A CA 0.407 52.308 52.037 -0.227 0.000 0.863 353 A CB -0.107 18.820 19.000 -0.122 0.000 0.904 353 A HN 0.916 nan 8.150 nan 0.000 0.484 354 N N -0.749 117.886 118.700 -0.108 0.000 2.380 354 N HA 0.306 5.045 4.740 -0.002 0.000 0.255 354 N C -0.026 175.488 175.510 0.006 0.000 1.158 354 N CA -0.234 52.796 53.050 -0.034 0.000 0.878 354 N CB 0.164 38.630 38.487 -0.035 0.000 1.138 354 N HN 0.295 nan 8.380 nan 0.000 0.509 355 M N 1.011 120.605 119.600 -0.010 0.000 2.494 355 M HA 0.370 4.848 4.480 -0.002 0.000 0.300 355 M C -0.623 175.795 176.300 0.196 0.000 1.189 355 M CA -0.901 54.469 55.300 0.117 0.000 0.982 355 M CB 2.316 34.994 32.600 0.130 0.000 1.534 355 M HN 0.150 nan 8.290 nan 0.000 0.488 356 L N 2.219 123.606 121.223 0.274 0.000 2.313 356 L HA 0.517 4.855 4.340 -0.002 0.000 0.283 356 L C -1.363 175.736 176.870 0.380 0.000 1.013 356 L CA -0.614 54.403 54.840 0.295 0.000 0.816 356 L CB 1.057 43.253 42.059 0.228 0.000 1.236 356 L HN 0.607 nan 8.230 nan 0.000 0.419 357 L N 4.902 126.344 121.223 0.365 0.000 2.326 357 L HA 0.458 4.796 4.340 -0.002 0.000 0.278 357 L C -0.596 176.436 176.870 0.269 0.000 1.092 357 L CA -0.135 54.850 54.840 0.242 0.000 0.810 357 L CB 1.329 43.495 42.059 0.178 0.000 1.153 357 L HN 0.715 nan 8.230 nan 0.000 0.439 358 E N 4.815 125.131 120.200 0.194 0.000 2.224 358 E HA 0.389 4.737 4.350 -0.002 0.000 0.265 358 E C -1.966 174.696 176.600 0.104 0.000 0.878 358 E CA -0.425 56.099 56.400 0.206 0.000 0.759 358 E CB 2.244 32.139 29.700 0.326 0.000 1.164 358 E HN 0.421 nan 8.360 nan 0.000 0.414 359 V N 3.081 123.029 119.914 0.056 0.000 2.711 359 V HA 0.547 4.665 4.120 -0.002 0.000 0.304 359 V C 0.383 176.390 176.094 -0.144 0.000 1.097 359 V CA 0.479 62.716 62.300 -0.104 0.000 0.906 359 V CB 1.417 33.065 31.823 -0.292 0.000 1.015 359 V HN 0.868 nan 8.190 nan 0.000 0.427 360 G N 4.428 113.196 108.800 -0.053 0.000 2.422 360 G HA2 0.073 4.031 3.960 -0.002 0.000 0.301 360 G HA3 0.073 4.031 3.960 -0.002 0.000 0.301 360 G C 1.551 176.554 174.900 0.171 0.000 0.981 360 G CA 1.519 46.703 45.100 0.140 0.000 0.994 360 G HN 2.695 nan 8.290 nan 0.000 0.514 361 G N -2.293 106.560 108.800 0.089 0.000 2.336 361 G HA2 -0.156 3.802 3.960 -0.002 0.000 0.233 361 G HA3 -0.156 3.802 3.960 -0.002 0.000 0.233 361 G C 0.421 175.301 174.900 -0.032 0.000 1.053 361 G CA 0.470 45.603 45.100 0.055 0.000 0.625 361 G HN 1.210 nan 8.290 nan 0.000 0.511 362 L N 2.192 123.357 121.223 -0.095 0.000 2.417 362 L HA 0.545 4.884 4.340 -0.002 0.000 0.268 362 L C 0.654 177.399 176.870 -0.207 0.000 1.158 362 L CA -0.112 54.572 54.840 -0.260 0.000 0.819 362 L CB 1.050 42.856 42.059 -0.421 0.000 1.112 362 L HN 0.567 nan 8.230 nan 0.000 0.458 363 E N 2.051 122.058 120.200 -0.321 0.000 2.241 363 E HA 0.388 4.737 4.350 -0.002 0.000 0.263 363 E C -1.551 174.886 176.600 -0.272 0.000 0.882 363 E CA -0.511 55.795 56.400 -0.156 0.000 0.769 363 E CB 1.044 30.695 29.700 -0.082 0.000 1.185 363 E HN 0.193 nan 8.360 nan 0.000 0.415 364 F N 3.870 123.832 119.950 0.020 0.000 2.303 364 F HA 0.265 4.790 4.527 -0.003 0.000 0.368 364 F C -1.361 174.501 175.800 0.104 0.000 1.105 364 F CA -2.483 55.549 58.000 0.053 0.000 1.153 364 F CB 1.196 40.221 39.000 0.041 0.000 1.362 364 F HN 0.402 nan 8.300 nan 0.000 0.511 365 P HA -0.056 nan 4.420 nan 0.000 0.225 365 P C 0.583 178.019 177.300 0.227 0.000 1.148 365 P CA 0.765 63.974 63.100 0.181 0.000 0.779 365 P CB 0.485 32.256 31.700 0.119 0.000 0.780 366 G N 0.301 109.292 108.800 0.318 0.000 2.671 366 G HA2 0.457 4.415 3.960 -0.002 0.000 0.318 366 G HA3 0.457 4.415 3.960 -0.002 0.000 0.318 366 G C -0.612 174.525 174.900 0.396 0.000 1.250 366 G CA -0.365 44.974 45.100 0.398 0.000 1.028 366 G HN 0.306 nan 8.290 nan 0.000 0.501 367 C N 2.139 121.582 119.300 0.237 0.000 3.309 367 C HA 0.563 5.022 4.460 -0.002 0.000 0.335 367 C C -2.771 172.222 174.990 0.005 0.000 1.018 367 C CA -2.034 57.043 59.018 0.099 0.000 1.326 367 C CB 1.157 28.985 27.740 0.147 0.000 1.752 367 C HN 0.517 nan 8.230 nan 0.000 0.567 368 P HA 0.595 nan 4.420 nan 0.000 0.279 368 P C -0.788 176.487 177.300 -0.042 0.000 1.239 368 P CA 0.361 63.351 63.100 -0.183 0.000 0.789 368 P CB 1.125 32.746 31.700 -0.132 0.000 0.933 369 F N 0.028 119.927 119.950 -0.085 0.000 2.629 369 F HA 0.690 5.216 4.527 -0.003 0.000 0.316 369 F C -0.865 174.837 175.800 -0.163 0.000 1.081 369 F CA -1.271 56.673 58.000 -0.093 0.000 0.954 369 F CB 1.579 40.377 39.000 -0.336 0.000 1.337 369 F HN 0.380 nan 8.300 nan 0.000 0.474 370 N N -0.200 118.626 118.700 0.211 0.000 2.610 370 N HA 0.735 5.474 4.740 -0.002 0.000 0.264 370 N C -1.293 174.161 175.510 -0.093 0.000 1.348 370 N CA -0.428 52.653 53.050 0.052 0.000 0.819 370 N CB 2.027 40.560 38.487 0.077 0.000 1.521 370 N HN 1.131 nan 8.380 nan 0.000 0.497 371 G N -0.858 107.849 108.800 -0.155 0.000 3.085 371 G HA2 0.660 4.618 3.960 -0.002 0.000 0.264 371 G HA3 0.660 4.618 3.960 -0.002 0.000 0.264 371 G C -1.913 172.947 174.900 -0.067 0.000 1.206 371 G CA -0.837 44.099 45.100 -0.273 0.000 0.809 371 G HN 0.693 nan 8.290 nan 0.000 0.592 372 W N -1.273 120.022 121.300 -0.008 0.000 2.706 372 W HA 0.815 5.474 4.660 -0.002 0.000 0.346 372 W C -1.122 175.398 176.519 0.002 0.000 1.071 372 W CA -2.138 55.224 57.345 0.028 0.000 1.206 372 W CB 0.375 29.886 29.460 0.084 0.000 1.413 372 W HN 0.440 nan 8.180 nan 0.000 0.542 373 Y N 2.372 122.845 120.300 0.288 0.000 2.511 373 Y HA 0.157 4.706 4.550 -0.002 0.000 0.347 373 Y C 0.707 176.652 175.900 0.075 0.000 1.257 373 Y CA -0.170 57.992 58.100 0.103 0.000 1.469 373 Y CB 0.816 39.266 38.460 -0.017 0.000 1.353 373 Y HN 0.488 nan 8.280 nan 0.000 0.617 374 M N 2.081 121.830 119.600 0.249 0.000 2.134 374 M HA 0.361 4.839 4.480 -0.002 0.000 0.310 374 M C 1.000 177.292 176.300 -0.014 0.000 0.966 374 M CA -0.169 55.196 55.300 0.108 0.000 0.922 374 M CB 1.285 33.931 32.600 0.075 0.000 1.537 374 M HN 0.816 nan 8.290 nan 0.000 0.424 375 G N 2.165 110.908 108.800 -0.095 0.000 2.816 375 G HA2 -0.423 3.536 3.960 -0.002 0.000 0.229 375 G HA3 -0.423 3.536 3.960 -0.002 0.000 0.229 375 G C 1.157 175.919 174.900 -0.230 0.000 1.158 375 G CA 2.316 47.298 45.100 -0.196 0.000 0.761 375 G HN 0.889 nan 8.290 nan 0.000 0.636 376 T N -0.978 113.464 114.554 -0.187 0.000 2.803 376 T HA -0.084 4.265 4.350 -0.002 0.000 0.269 376 T C 1.977 176.529 174.700 -0.246 0.000 1.052 376 T CA 1.825 63.776 62.100 -0.249 0.000 1.136 376 T CB -0.423 68.262 68.868 -0.306 0.000 0.864 376 T HN 0.587 nan 8.240 nan 0.000 0.467 377 E N 0.773 120.862 120.200 -0.185 0.000 2.130 377 E HA -0.097 4.252 4.350 -0.002 0.000 0.196 377 E C 2.036 178.420 176.600 -0.361 0.000 0.998 377 E CA 1.534 57.847 56.400 -0.145 0.000 0.806 377 E CB -0.330 29.436 29.700 0.109 0.000 0.738 377 E HN 0.626 nan 8.360 nan 0.000 0.459 378 I N -0.094 120.103 120.570 -0.622 0.000 2.368 378 I HA -0.043 4.125 4.170 -0.002 0.000 0.238 378 I C 2.588 178.080 176.117 -1.041 0.000 1.076 378 I CA 0.848 61.455 61.300 -1.155 0.000 1.397 378 I CB -0.484 36.685 38.000 -1.385 0.000 1.141 378 I HN 0.086 nan 8.210 nan 0.000 0.430 379 G N 0.518 108.982 108.800 -0.560 0.000 2.422 379 G HA2 -0.134 3.824 3.960 -0.002 0.000 0.218 379 G HA3 -0.134 3.824 3.960 -0.002 0.000 0.218 379 G C 1.602 176.470 174.900 -0.055 0.000 1.146 379 G CA 1.038 46.068 45.100 -0.116 0.000 0.769 379 G HN 0.224 nan 8.290 nan 0.000 0.547 380 V N 0.299 120.117 119.914 -0.160 0.000 2.374 380 V HA 0.041 4.160 4.120 -0.002 0.000 0.241 380 V C 2.823 178.854 176.094 -0.104 0.000 1.034 380 V CA 1.211 63.440 62.300 -0.118 0.000 1.037 380 V CB -0.326 31.393 31.823 -0.174 0.000 0.682 380 V HN 0.134 nan 8.190 nan 0.000 0.463 381 R N 0.338 120.739 120.500 -0.164 0.000 2.064 381 R HA 0.029 4.367 4.340 -0.002 0.000 0.221 381 R C 1.958 178.199 176.300 -0.098 0.000 1.136 381 R CA 1.211 57.239 56.100 -0.120 0.000 0.980 381 R CB -0.945 29.279 30.300 -0.128 0.000 0.876 381 R HN 0.472 nan 8.270 nan 0.000 0.437 382 D N 0.155 120.390 120.400 -0.274 0.000 2.178 382 D HA -0.079 4.559 4.640 -0.002 0.000 0.202 382 D C 1.623 177.903 176.300 -0.034 0.000 0.974 382 D CA 1.026 54.852 54.000 -0.291 0.000 0.841 382 D CB 0.014 40.216 40.800 -0.997 0.000 0.953 382 D HN 0.091 nan 8.370 nan 0.000 0.478 383 F N -0.034 119.852 119.950 -0.107 0.000 2.505 383 F HA 0.079 4.605 4.527 -0.002 0.000 0.289 383 F C 2.319 178.171 175.800 0.086 0.000 1.101 383 F CA -0.302 57.705 58.000 0.012 0.000 1.446 383 F CB -0.550 38.430 39.000 -0.035 0.000 1.123 383 F HN 0.011 nan 8.300 nan 0.000 0.564 384 C N -1.183 118.251 119.300 0.223 0.000 2.611 384 C HA 0.158 4.616 4.460 -0.002 0.000 0.282 384 C C 0.397 175.451 174.990 0.107 0.000 1.321 384 C CA -0.537 58.572 59.018 0.152 0.000 1.747 384 C CB -0.574 27.223 27.740 0.095 0.000 2.124 384 C HN 0.105 nan 8.230 nan 0.000 0.531 385 D N 1.511 121.961 120.400 0.083 0.000 2.533 385 D HA 0.057 4.695 4.640 -0.002 0.000 0.236 385 D C 1.422 177.773 176.300 0.084 0.000 1.137 385 D CA 0.287 54.324 54.000 0.061 0.000 0.867 385 D CB 0.832 41.662 40.800 0.050 0.000 1.170 385 D HN 0.257 nan 8.370 nan 0.000 0.474 386 V N 1.893 121.845 119.914 0.064 0.000 2.594 386 V HA -0.222 3.896 4.120 -0.002 0.000 0.253 386 V C 1.556 177.686 176.094 0.059 0.000 1.069 386 V CA 1.408 63.748 62.300 0.066 0.000 1.082 386 V CB -0.637 31.219 31.823 0.054 0.000 0.680 386 V HN 0.653 nan 8.190 nan 0.000 0.469 387 Q N 0.122 119.955 119.800 0.055 0.000 2.247 387 Q HA 0.215 4.553 4.340 -0.002 0.000 0.205 387 Q C 0.626 176.660 176.000 0.057 0.000 0.896 387 Q CA -0.010 55.821 55.803 0.048 0.000 0.950 387 Q CB 0.209 28.974 28.738 0.045 0.000 1.054 387 Q HN 0.619 nan 8.270 nan 0.000 0.482 388 R N -0.708 119.839 120.500 0.078 0.000 3.379 388 R HA 0.265 4.604 4.340 -0.002 0.000 0.189 388 R C 1.213 177.554 176.300 0.068 0.000 1.353 388 R CA -0.611 55.553 56.100 0.106 0.000 0.804 388 R CB -1.054 29.378 30.300 0.219 0.000 1.496 388 R HN -0.005 nan 8.270 nan 0.000 0.465 389 Y N 1.557 121.977 120.300 0.200 0.000 2.274 389 Y HA -0.070 4.478 4.550 -0.003 0.000 0.290 389 Y C 0.806 176.797 175.900 0.152 0.000 1.145 389 Y CA 1.721 59.943 58.100 0.204 0.000 1.203 389 Y CB -0.270 38.389 38.460 0.331 0.000 0.984 389 Y HN 0.577 nan 8.280 nan 0.000 0.533 390 N N 0.561 119.424 118.700 0.273 0.000 2.714 390 N HA -0.223 4.515 4.740 -0.002 0.000 0.253 390 N C 0.685 176.306 175.510 0.185 0.000 1.024 390 N CA 0.273 53.437 53.050 0.190 0.000 0.726 390 N CB -0.990 37.574 38.487 0.128 0.000 0.908 390 N HN 0.601 nan 8.380 nan 0.000 0.542 391 I N -2.851 117.844 120.570 0.208 0.000 3.428 391 I HA -0.053 4.115 4.170 -0.002 0.000 0.286 391 I C 1.945 178.156 176.117 0.155 0.000 1.287 391 I CA 0.068 61.454 61.300 0.143 0.000 1.396 391 I CB -0.062 37.972 38.000 0.057 0.000 1.062 391 I HN 0.212 nan 8.210 nan 0.000 0.471 392 L N 2.060 123.397 121.223 0.190 0.000 2.051 392 L HA -0.259 4.079 4.340 -0.002 0.000 0.214 392 L C 2.495 179.554 176.870 0.314 0.000 1.076 392 L CA 2.374 57.354 54.840 0.234 0.000 0.758 392 L CB -0.810 41.361 42.059 0.187 0.000 0.890 392 L HN 0.477 nan 8.230 nan 0.000 0.433 393 E N -0.148 120.208 120.200 0.259 0.000 2.023 393 E HA -0.297 4.052 4.350 -0.002 0.000 0.196 393 E C 2.211 178.870 176.600 0.097 0.000 1.003 393 E CA 2.057 58.581 56.400 0.206 0.000 0.809 393 E CB -0.358 29.419 29.700 0.128 0.000 0.755 393 E HN 0.622 nan 8.360 nan 0.000 0.449 394 E N -0.667 119.577 120.200 0.074 0.000 2.077 394 E HA -0.151 4.197 4.350 -0.002 0.000 0.193 394 E C 2.115 178.726 176.600 0.018 0.000 0.989 394 E CA 1.323 57.731 56.400 0.013 0.000 0.800 394 E CB 0.010 29.716 29.700 0.009 0.000 0.746 394 E HN 0.194 nan 8.360 nan 0.000 0.452 395 V N 0.763 120.756 119.914 0.132 0.000 2.282 395 V HA -0.280 3.838 4.120 -0.002 0.000 0.249 395 V C 2.341 178.548 176.094 0.188 0.000 1.057 395 V CA 2.050 64.512 62.300 0.270 0.000 1.032 395 V CB -1.098 30.959 31.823 0.390 0.000 0.645 395 V HN 0.529 nan 8.190 nan 0.000 0.447 396 G N -0.076 108.846 108.800 0.203 0.000 2.514 396 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.217 396 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.217 396 G C 1.650 176.497 174.900 -0.090 0.000 1.198 396 G CA 1.082 46.272 45.100 0.150 0.000 0.780 396 G HN 0.467 nan 8.290 nan 0.000 0.565 397 R N 0.191 120.587 120.500 -0.173 0.000 2.094 397 R HA -0.090 4.248 4.340 -0.002 0.000 0.239 397 R C 2.720 178.818 176.300 -0.338 0.000 1.137 397 R CA 1.536 57.493 56.100 -0.238 0.000 0.943 397 R CB -0.420 29.758 30.300 -0.205 0.000 0.850 397 R HN 0.312 nan 8.270 nan 0.000 0.433 398 R N 0.182 120.394 120.500 -0.480 0.000 2.241 398 R HA -0.024 4.314 4.340 -0.002 0.000 0.224 398 R C 1.981 177.612 176.300 -1.115 0.000 1.101 398 R CA 0.980 56.514 56.100 -0.943 0.000 0.995 398 R CB -0.137 29.325 30.300 -1.397 0.000 0.870 398 R HN 0.294 nan 8.270 nan 0.000 0.463 399 M N -0.548 118.707 119.600 -0.574 0.000 2.541 399 M HA 0.123 4.601 4.480 -0.002 0.000 0.252 399 M C 0.622 176.799 176.300 -0.205 0.000 1.125 399 M CA 0.519 55.647 55.300 -0.287 0.000 1.091 399 M CB 0.730 33.354 32.600 0.041 0.000 1.420 399 M HN 0.390 nan 8.290 nan 0.000 0.486 400 G N 2.373 111.040 108.800 -0.222 0.000 2.289 400 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.280 400 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.280 400 G C -0.377 174.475 174.900 -0.079 0.000 1.089 400 G CA -0.129 44.880 45.100 -0.152 0.000 0.939 400 G HN 0.387 nan 8.290 nan 0.000 0.499 401 L N -1.414 119.764 121.223 -0.074 0.000 2.331 401 L HA 0.565 4.904 4.340 -0.002 0.000 0.268 401 L C 0.938 177.742 176.870 -0.110 0.000 1.015 401 L CA -1.123 53.700 54.840 -0.028 0.000 0.807 401 L CB 1.054 43.164 42.059 0.086 0.000 1.293 401 L HN 0.123 nan 8.230 nan 0.000 0.451 402 E N 0.200 120.338 120.200 -0.103 0.000 2.515 402 E HA 0.022 4.370 4.350 -0.002 0.000 0.315 402 E C 0.577 176.820 176.600 -0.595 0.000 1.523 402 E CA -0.141 56.113 56.400 -0.244 0.000 1.704 402 E CB -0.009 29.541 29.700 -0.251 0.000 1.395 402 E HN 0.600 nan 8.360 nan 0.000 0.490 403 T N 1.292 115.383 114.554 -0.772 0.000 2.624 403 T HA -0.285 4.063 4.350 -0.002 0.000 0.266 403 T C 1.686 175.925 174.700 -0.769 0.000 1.050 403 T CA 1.985 63.161 62.100 -1.540 0.000 1.163 403 T CB -0.448 67.775 68.868 -1.074 0.000 0.861 403 T HN 0.639 nan 8.240 nan 0.000 0.443 404 H N 1.215 120.078 119.070 -0.344 0.000 2.539 404 H HA 0.073 4.628 4.556 -0.002 0.000 0.292 404 H C 1.001 176.340 175.328 0.019 0.000 1.069 404 H CA 0.943 56.923 56.048 -0.113 0.000 1.244 404 H CB -0.166 29.539 29.762 -0.095 0.000 1.365 404 H HN 0.341 nan 8.280 nan 0.000 0.575 405 K N 1.047 121.227 120.400 -0.367 0.000 2.527 405 K HA 0.240 4.559 4.320 -0.002 0.000 0.240 405 K C 0.720 177.415 176.600 0.158 0.000 0.989 405 K CA -0.403 55.817 56.287 -0.112 0.000 0.985 405 K CB 0.951 33.302 32.500 -0.248 0.000 1.221 405 K HN 0.031 nan 8.250 nan 0.000 0.458 406 L N 2.403 123.752 121.223 0.210 0.000 1.997 406 L HA -0.241 4.097 4.340 -0.002 0.000 0.216 406 L C 2.108 179.018 176.870 0.067 0.000 1.074 406 L CA 1.899 56.837 54.840 0.162 0.000 0.763 406 L CB -0.408 41.700 42.059 0.081 0.000 0.890 406 L HN 0.788 nan 8.230 nan 0.000 0.434 407 A N -0.462 122.389 122.820 0.050 0.000 2.272 407 A HA -0.154 4.165 4.320 -0.002 0.000 0.213 407 A C 2.213 179.819 177.584 0.036 0.000 1.183 407 A CA 1.545 53.599 52.037 0.028 0.000 0.719 407 A CB -0.579 18.435 19.000 0.024 0.000 0.771 407 A HN 0.597 nan 8.150 nan 0.000 0.484 408 S N -1.228 114.516 115.700 0.074 0.000 2.535 408 S HA 0.274 4.743 4.470 -0.002 0.000 0.214 408 S C 0.815 175.467 174.600 0.087 0.000 0.980 408 S CA 0.423 58.676 58.200 0.087 0.000 0.907 408 S CB -0.547 62.721 63.200 0.114 0.000 0.790 408 S HN 0.816 nan 8.310 nan 0.000 0.510 409 L N 0.800 122.038 121.223 0.025 0.000 4.232 409 L HA -0.186 4.153 4.340 -0.002 0.000 0.415 409 L C 1.741 178.565 176.870 -0.077 0.000 1.168 409 L CA 0.765 55.561 54.840 -0.073 0.000 0.966 409 L CB -2.569 39.472 42.059 -0.030 0.000 2.052 409 L HN 0.721 nan 8.230 nan 0.000 0.887 410 W N 0.379 121.680 121.300 0.002 0.000 2.342 410 W HA -0.196 4.462 4.660 -0.002 0.000 0.297 410 W C 1.743 178.286 176.519 0.040 0.000 1.213 410 W CA 1.504 58.860 57.345 0.019 0.000 1.251 410 W CB -0.858 28.602 29.460 0.000 0.000 1.136 410 W HN 0.277 nan 8.180 nan 0.000 0.526 411 K N 1.002 120.756 120.400 -1.076 0.000 2.103 411 K HA -0.188 4.131 4.320 -0.002 0.000 0.207 411 K C 1.507 177.916 176.600 -0.318 0.000 1.048 411 K CA 2.438 58.175 56.287 -0.917 0.000 0.930 411 K CB -0.358 31.507 32.500 -1.059 0.000 0.716 411 K HN 0.104 nan 8.250 nan 0.000 0.444 412 D N 0.422 120.686 120.400 -0.226 0.000 2.144 412 D HA -0.135 4.504 4.640 -0.002 0.000 0.200 412 D C 1.959 178.255 176.300 -0.007 0.000 0.978 412 D CA 1.014 54.957 54.000 -0.095 0.000 0.833 412 D CB 0.036 40.791 40.800 -0.074 0.000 0.961 412 D HN 0.219 nan 8.370 nan 0.000 0.470 413 Q N 0.294 120.117 119.800 0.038 0.000 2.079 413 Q HA -0.037 4.301 4.340 -0.002 0.000 0.200 413 Q C 2.344 178.442 176.000 0.163 0.000 0.974 413 Q CA 1.177 57.047 55.803 0.112 0.000 0.840 413 Q CB -0.175 28.655 28.738 0.152 0.000 0.898 413 Q HN 0.284 nan 8.270 nan 0.000 0.430 414 A N 0.593 123.525 122.820 0.187 0.000 1.908 414 A HA -0.169 4.149 4.320 -0.002 0.000 0.218 414 A C 2.346 180.051 177.584 0.201 0.000 1.181 414 A CA 1.538 53.729 52.037 0.256 0.000 0.627 414 A CB -0.782 18.396 19.000 0.297 0.000 0.818 414 A HN 0.215 nan 8.150 nan 0.000 0.445 415 V N -0.586 119.390 119.914 0.103 0.000 2.358 415 V HA -0.211 3.907 4.120 -0.002 0.000 0.246 415 V C 2.552 178.691 176.094 0.074 0.000 1.047 415 V CA 1.902 64.245 62.300 0.072 0.000 1.035 415 V CB -0.686 31.136 31.823 -0.002 0.000 0.658 415 V HN 0.373 nan 8.190 nan 0.000 0.452 416 V N -0.266 119.691 119.914 0.073 0.000 2.407 416 V HA -0.182 3.936 4.120 -0.002 0.000 0.248 416 V C 2.596 178.736 176.094 0.077 0.000 1.055 416 V CA 1.704 64.045 62.300 0.068 0.000 1.049 416 V CB -0.552 31.314 31.823 0.071 0.000 0.662 416 V HN 0.537 nan 8.190 nan 0.000 0.455 417 E N -0.086 120.197 120.200 0.139 0.000 2.107 417 E HA -0.082 4.266 4.350 -0.002 0.000 0.191 417 E C 2.146 178.805 176.600 0.100 0.000 0.982 417 E CA 1.092 57.595 56.400 0.172 0.000 0.809 417 E CB -0.187 29.697 29.700 0.307 0.000 0.756 417 E HN 0.573 nan 8.360 nan 0.000 0.459 418 I N 1.409 122.087 120.570 0.179 0.000 2.202 418 I HA -0.231 3.937 4.170 -0.002 0.000 0.242 418 I C 2.083 178.247 176.117 0.078 0.000 1.091 418 I CA 0.805 62.233 61.300 0.214 0.000 1.368 418 I CB -0.343 37.858 38.000 0.335 0.000 1.058 418 I HN 0.046 nan 8.210 nan 0.000 0.410 419 N N 1.019 119.748 118.700 0.048 0.000 2.289 419 N HA -0.093 4.645 4.740 -0.002 0.000 0.184 419 N C 1.941 177.416 175.510 -0.058 0.000 1.016 419 N CA 1.221 54.265 53.050 -0.011 0.000 0.872 419 N CB 0.041 38.514 38.487 -0.024 0.000 0.973 419 N HN 0.388 nan 8.380 nan 0.000 0.433 420 I N 1.016 121.522 120.570 -0.108 0.000 2.252 420 I HA -0.201 3.967 4.170 -0.002 0.000 0.245 420 I C 2.407 178.321 176.117 -0.339 0.000 1.102 420 I CA 0.585 61.753 61.300 -0.219 0.000 1.385 420 I CB -0.281 37.540 38.000 -0.298 0.000 1.064 420 I HN 0.034 nan 8.210 nan 0.000 0.414 421 A N 0.711 123.257 122.820 -0.457 0.000 1.865 421 A HA -0.192 4.126 4.320 -0.002 0.000 0.217 421 A C 2.434 179.948 177.584 -0.116 0.000 1.191 421 A CA 2.009 53.751 52.037 -0.492 0.000 0.623 421 A CB -1.121 17.349 19.000 -0.882 0.000 0.826 421 A HN 0.216 nan 8.150 nan 0.000 0.444 422 V N 0.228 120.130 119.914 -0.021 0.000 2.231 422 V HA -0.324 3.794 4.120 -0.002 0.000 0.250 422 V C 2.604 178.728 176.094 0.049 0.000 1.058 422 V CA 2.286 64.628 62.300 0.069 0.000 1.022 422 V CB -0.832 30.980 31.823 -0.017 0.000 0.640 422 V HN 0.591 nan 8.190 nan 0.000 0.445 423 L N -0.740 120.464 121.223 -0.032 0.000 2.131 423 L HA -0.222 4.116 4.340 -0.002 0.000 0.210 423 L C 2.552 179.464 176.870 0.069 0.000 1.092 423 L CA 1.935 56.762 54.840 -0.022 0.000 0.759 423 L CB -0.861 41.182 42.059 -0.027 0.000 0.903 423 L HN 0.569 nan 8.230 nan 0.000 0.435 424 H N -0.103 118.930 119.070 -0.061 0.000 2.299 424 H HA -0.129 4.425 4.556 -0.003 0.000 0.302 424 H C 2.303 177.632 175.328 0.003 0.000 1.078 424 H CA 1.689 57.693 56.048 -0.074 0.000 1.323 424 H CB 0.333 29.975 29.762 -0.200 0.000 1.381 424 H HN 0.211 nan 8.280 nan 0.000 0.498 425 S N 0.386 116.067 115.700 -0.031 0.000 2.402 425 S HA -0.159 4.310 4.470 -0.002 0.000 0.233 425 S C 1.891 176.478 174.600 -0.021 0.000 1.030 425 S CA 1.473 59.638 58.200 -0.058 0.000 1.003 425 S CB -0.439 62.820 63.200 0.099 0.000 0.813 425 S HN 0.299 nan 8.310 nan 0.000 0.477 426 F N 1.713 121.604 119.950 -0.099 0.000 2.149 426 F HA -0.017 4.509 4.527 -0.002 0.000 0.294 426 F C 2.616 178.362 175.800 -0.090 0.000 1.095 426 F CA 0.835 58.797 58.000 -0.064 0.000 1.276 426 F CB -0.807 38.178 39.000 -0.025 0.000 1.023 426 F HN 0.174 nan 8.300 nan 0.000 0.480 427 Q N 0.102 119.952 119.800 0.084 0.000 2.096 427 Q HA -0.275 4.064 4.340 -0.002 0.000 0.204 427 Q C 2.089 178.042 176.000 -0.079 0.000 0.982 427 Q CA 1.917 57.717 55.803 -0.006 0.000 0.850 427 Q CB -0.340 28.387 28.738 -0.019 0.000 0.901 427 Q HN 0.241 nan 8.270 nan 0.000 0.422 428 K N 1.385 121.678 120.400 -0.179 0.000 2.000 428 K HA -0.219 4.100 4.320 -0.002 0.000 0.218 428 K C 1.597 178.115 176.600 -0.137 0.000 1.053 428 K CA 1.795 57.952 56.287 -0.216 0.000 0.946 428 K CB -0.035 32.248 32.500 -0.361 0.000 0.723 428 K HN 0.159 nan 8.250 nan 0.000 0.446 429 Q N 0.476 120.191 119.800 -0.142 0.000 2.329 429 Q HA 0.062 4.400 4.340 -0.002 0.000 0.208 429 Q C -0.449 175.490 176.000 -0.102 0.000 0.934 429 Q CA -0.072 55.655 55.803 -0.128 0.000 0.951 429 Q CB 0.005 28.640 28.738 -0.172 0.000 1.017 429 Q HN 0.363 nan 8.270 nan 0.000 0.490 430 N N 0.436 119.092 118.700 -0.074 0.000 2.725 430 N HA -0.151 4.588 4.740 -0.002 0.000 0.251 430 N C -1.490 173.999 175.510 -0.034 0.000 1.031 430 N CA 0.415 53.437 53.050 -0.048 0.000 0.720 430 N CB -0.746 37.712 38.487 -0.048 0.000 0.930 430 N HN 0.029 nan 8.380 nan 0.000 0.543 431 V N 1.157 121.068 119.914 -0.006 0.000 2.448 431 V HA 0.255 4.373 4.120 -0.002 0.000 0.295 431 V C 0.788 177.003 176.094 0.202 0.000 1.025 431 V CA -0.607 61.728 62.300 0.060 0.000 0.859 431 V CB 2.020 33.809 31.823 -0.057 0.000 0.988 431 V HN 0.166 nan 8.190 nan 0.000 0.431 432 T N 6.232 120.848 114.554 0.103 0.000 2.946 432 T HA 0.388 4.737 4.350 -0.002 0.000 0.312 432 T C -0.235 174.541 174.700 0.127 0.000 1.066 432 T CA 0.899 62.987 62.100 -0.020 0.000 1.138 432 T CB 0.106 68.816 68.868 -0.263 0.000 1.014 432 T HN 0.577 nan 8.240 nan 0.000 0.544 433 I N 2.110 122.673 120.570 -0.012 0.000 2.763 433 I HA 0.456 4.625 4.170 -0.002 0.000 0.292 433 I C -1.761 174.376 176.117 0.035 0.000 1.610 433 I CA -0.886 60.429 61.300 0.026 0.000 1.002 433 I CB 1.865 39.713 38.000 -0.254 0.000 1.416 433 I HN 0.642 nan 8.210 nan 0.000 0.479 434 M N 6.703 126.394 119.600 0.152 0.000 2.321 434 M HA 0.390 4.868 4.480 -0.002 0.000 0.315 434 M C -1.307 175.052 176.300 0.097 0.000 1.052 434 M CA -0.561 54.835 55.300 0.159 0.000 0.936 434 M CB 1.443 34.242 32.600 0.331 0.000 1.639 434 M HN 0.514 nan 8.290 nan 0.000 0.433 435 D N 3.534 123.977 120.400 0.072 0.000 2.339 435 D HA 0.022 4.660 4.640 -0.002 0.000 0.245 435 D C 0.750 177.085 176.300 0.059 0.000 1.115 435 D CA -0.207 53.839 54.000 0.077 0.000 0.917 435 D CB 0.543 41.372 40.800 0.049 0.000 1.192 435 D HN 0.839 nan 8.370 nan 0.000 0.428 436 H N 0.887 119.895 119.070 -0.103 0.000 2.489 436 H HA -0.169 4.385 4.556 -0.003 0.000 0.295 436 H C 1.066 176.286 175.328 -0.181 0.000 1.082 436 H CA 1.230 57.178 56.048 -0.168 0.000 1.295 436 H CB -0.577 29.031 29.762 -0.256 0.000 1.380 436 H HN 0.533 nan 8.280 nan 0.000 0.548 437 H N 0.947 119.807 119.070 -0.351 0.000 2.333 437 H HA 0.036 4.591 4.556 -0.002 0.000 0.302 437 H C 2.390 177.688 175.328 -0.050 0.000 1.075 437 H CA 1.319 57.242 56.048 -0.207 0.000 1.348 437 H CB 0.073 29.680 29.762 -0.257 0.000 1.393 437 H HN 0.342 nan 8.280 nan 0.000 0.509 438 S N 0.956 116.710 115.700 0.089 0.000 2.353 438 S HA -0.156 4.313 4.470 -0.002 0.000 0.222 438 S C 2.498 177.168 174.600 0.116 0.000 1.035 438 S CA 1.037 59.295 58.200 0.096 0.000 1.025 438 S CB -0.413 62.839 63.200 0.086 0.000 0.902 438 S HN 0.531 nan 8.310 nan 0.000 0.440 439 A N 1.903 124.789 122.820 0.111 0.000 1.873 439 A HA -0.069 4.249 4.320 -0.002 0.000 0.218 439 A C 2.407 180.080 177.584 0.148 0.000 1.193 439 A CA 2.107 54.222 52.037 0.129 0.000 0.629 439 A CB -1.363 17.696 19.000 0.098 0.000 0.826 439 A HN 0.551 nan 8.150 nan 0.000 0.447 440 A N -0.775 122.117 122.820 0.120 0.000 1.883 440 A HA -0.229 4.090 4.320 -0.002 0.000 0.217 440 A C 1.992 179.708 177.584 0.220 0.000 1.186 440 A CA 1.954 54.088 52.037 0.162 0.000 0.624 440 A CB -0.688 18.384 19.000 0.119 0.000 0.822 440 A HN 0.654 nan 8.150 nan 0.000 0.444 441 E N -0.025 120.277 120.200 0.170 0.000 2.097 441 E HA -0.212 4.136 4.350 -0.002 0.000 0.196 441 E C 2.375 179.074 176.600 0.165 0.000 1.000 441 E CA 1.788 58.281 56.400 0.154 0.000 0.804 441 E CB -0.113 29.657 29.700 0.116 0.000 0.740 441 E HN 0.824 nan 8.360 nan 0.000 0.454 442 S N -0.017 115.789 115.700 0.176 0.000 2.383 442 S HA -0.170 4.298 4.470 -0.002 0.000 0.227 442 S C 1.899 176.629 174.600 0.216 0.000 1.026 442 S CA 0.739 59.043 58.200 0.174 0.000 0.981 442 S CB -0.572 62.729 63.200 0.168 0.000 0.818 442 S HN 0.360 nan 8.310 nan 0.000 0.472 443 F N 2.356 122.386 119.950 0.133 0.000 2.202 443 F HA 0.014 4.539 4.527 -0.003 0.000 0.301 443 F C 2.263 178.210 175.800 0.245 0.000 1.082 443 F CA 1.254 59.363 58.000 0.183 0.000 1.313 443 F CB -0.352 38.721 39.000 0.121 0.000 1.024 443 F HN 0.098 nan 8.300 nan 0.000 0.495 444 M N 0.161 119.864 119.600 0.171 0.000 2.175 444 M HA -0.178 4.301 4.480 -0.002 0.000 0.264 444 M C 2.019 178.341 176.300 0.036 0.000 1.063 444 M CA 1.618 56.982 55.300 0.106 0.000 1.119 444 M CB -1.046 31.659 32.600 0.175 0.000 1.377 444 M HN 0.153 nan 8.290 nan 0.000 0.415 445 K N -0.940 119.496 120.400 0.060 0.000 2.062 445 K HA -0.167 4.151 4.320 -0.002 0.000 0.205 445 K C 2.003 178.597 176.600 -0.010 0.000 1.051 445 K CA 1.232 57.545 56.287 0.043 0.000 0.941 445 K CB -0.509 32.032 32.500 0.069 0.000 0.719 445 K HN 0.209 nan 8.250 nan 0.000 0.440 446 Y N 1.748 121.972 120.300 -0.128 0.000 2.097 446 Y HA -0.280 4.268 4.550 -0.003 0.000 0.282 446 Y C 2.292 178.010 175.900 -0.303 0.000 1.152 446 Y CA 1.740 59.730 58.100 -0.184 0.000 1.136 446 Y CB -0.326 38.004 38.460 -0.217 0.000 0.975 446 Y HN -0.051 nan 8.280 nan 0.000 0.498 447 M N 0.189 119.398 119.600 -0.652 0.000 2.106 447 M HA -0.334 4.145 4.480 -0.002 0.000 0.259 447 M C 2.487 178.480 176.300 -0.510 0.000 1.068 447 M CA 2.438 57.310 55.300 -0.714 0.000 1.100 447 M CB -0.323 31.959 32.600 -0.531 0.000 1.351 447 M HN 0.594 nan 8.290 nan 0.000 0.404 448 Q N 0.228 119.858 119.800 -0.282 0.000 2.084 448 Q HA -0.206 4.132 4.340 -0.002 0.000 0.202 448 Q C 1.438 177.327 176.000 -0.185 0.000 0.978 448 Q CA 2.252 57.965 55.803 -0.150 0.000 0.844 448 Q CB -0.172 28.615 28.738 0.083 0.000 0.898 448 Q HN 0.695 nan 8.270 nan 0.000 0.426 449 N N -0.296 118.275 118.700 -0.215 0.000 2.166 449 N HA -0.198 4.540 4.740 -0.002 0.000 0.186 449 N C 1.621 176.962 175.510 -0.283 0.000 1.019 449 N CA 0.968 53.907 53.050 -0.185 0.000 0.856 449 N CB -0.047 38.360 38.487 -0.133 0.000 0.993 449 N HN 0.206 nan 8.380 nan 0.000 0.426 450 E N 0.527 120.422 120.200 -0.507 0.000 2.077 450 E HA -0.150 4.198 4.350 -0.002 0.000 0.193 450 E C 1.328 177.612 176.600 -0.526 0.000 0.989 450 E CA 1.354 57.385 56.400 -0.615 0.000 0.800 450 E CB -0.126 29.028 29.700 -0.911 0.000 0.746 450 E HN 0.430 nan 8.360 nan 0.000 0.452 451 Y N -0.007 120.013 120.300 -0.467 0.000 2.314 451 Y HA -0.014 4.535 4.550 -0.002 0.000 0.293 451 Y C 2.310 178.085 175.900 -0.209 0.000 1.129 451 Y CA 1.164 59.046 58.100 -0.362 0.000 1.201 451 Y CB 0.031 38.154 38.460 -0.561 0.000 0.999 451 Y HN -0.045 nan 8.280 nan 0.000 0.541 452 R N -0.253 120.212 120.500 -0.059 0.000 2.091 452 R HA -0.165 4.173 4.340 -0.002 0.000 0.238 452 R C 2.282 178.547 176.300 -0.058 0.000 1.136 452 R CA 1.826 57.907 56.100 -0.032 0.000 0.959 452 R CB -0.401 29.880 30.300 -0.032 0.000 0.856 452 R HN 0.407 nan 8.270 nan 0.000 0.437 453 S N 0.814 116.449 115.700 -0.109 0.000 2.346 453 S HA -0.064 4.405 4.470 -0.002 0.000 0.204 453 S C 1.747 176.275 174.600 -0.121 0.000 1.008 453 S CA 0.146 58.284 58.200 -0.103 0.000 0.925 453 S CB -0.321 62.813 63.200 -0.109 0.000 0.903 453 S HN 0.303 nan 8.310 nan 0.000 0.537 454 R N 1.765 122.154 120.500 -0.186 0.000 2.313 454 R HA 0.452 4.790 4.340 -0.002 0.000 0.199 454 R C 1.124 177.318 176.300 -0.177 0.000 0.958 454 R CA 0.369 56.364 56.100 -0.176 0.000 1.047 454 R CB -0.925 29.245 30.300 -0.217 0.000 0.955 454 R HN 0.589 nan 8.270 nan 0.000 0.481 455 G N 0.129 108.810 108.800 -0.199 0.000 2.333 455 G HA2 0.001 3.960 3.960 -0.002 0.000 0.296 455 G HA3 0.001 3.960 3.960 -0.002 0.000 0.296 455 G C 0.179 174.913 174.900 -0.276 0.000 1.059 455 G CA 0.107 45.125 45.100 -0.137 0.000 1.050 455 G HN 0.880 nan 8.290 nan 0.000 0.508 456 G N -2.293 105.994 108.800 -0.854 0.000 2.347 456 G HA2 0.568 4.527 3.960 -0.002 0.000 0.303 456 G HA3 0.568 4.527 3.960 -0.002 0.000 0.303 456 G C -0.782 173.512 174.900 -1.010 0.000 1.481 456 G CA 0.249 44.760 45.100 -0.983 0.000 0.914 456 G HN 2.026 nan 8.290 nan 0.000 0.638 457 C N 2.524 121.443 119.300 -0.636 0.000 2.968 457 C HA 0.647 5.105 4.460 -0.002 0.000 0.389 457 C C -2.602 172.261 174.990 -0.212 0.000 1.068 457 C CA -1.080 57.697 59.018 -0.401 0.000 1.272 457 C CB 1.172 28.655 27.740 -0.428 0.000 1.711 457 C HN 0.714 nan 8.230 nan 0.000 0.501 458 P HA 0.414 nan 4.420 nan 0.000 0.271 458 P C -0.644 176.548 177.300 -0.180 0.000 1.226 458 P CA 0.567 63.265 63.100 -0.670 0.000 0.765 458 P CB 1.155 32.358 31.700 -0.827 0.000 0.835 459 A N 2.849 125.638 122.820 -0.051 0.000 2.459 459 A HA 0.373 4.691 4.320 -0.002 0.000 0.296 459 A C -0.935 176.719 177.584 0.115 0.000 1.039 459 A CA -0.574 51.525 52.037 0.103 0.000 0.698 459 A CB 1.185 20.360 19.000 0.291 0.000 1.261 459 A HN 0.445 nan 8.150 nan 0.000 0.405 460 D N 2.324 122.778 120.400 0.090 0.000 2.456 460 D HA 0.123 4.761 4.640 -0.002 0.000 0.219 460 D C 0.873 177.314 176.300 0.235 0.000 1.126 460 D CA -0.425 53.668 54.000 0.155 0.000 0.890 460 D CB 0.336 41.185 40.800 0.081 0.000 1.025 460 D HN 0.623 nan 8.370 nan 0.000 0.511 461 W N 4.621 125.976 121.300 0.093 0.000 2.301 461 W HA -0.262 4.396 4.660 -0.003 0.000 0.325 461 W C 1.854 178.429 176.519 0.093 0.000 1.250 461 W CA 1.398 58.787 57.345 0.073 0.000 1.261 461 W CB -0.186 29.299 29.460 0.042 0.000 1.157 461 W HN 0.475 nan 8.180 nan 0.000 0.473 462 I N -0.884 120.007 120.570 0.534 0.000 2.479 462 I HA -0.316 3.852 4.170 -0.002 0.000 0.258 462 I C 1.570 177.798 176.117 0.185 0.000 1.165 462 I CA 1.470 63.010 61.300 0.400 0.000 1.422 462 I CB -0.657 37.586 38.000 0.406 0.000 1.087 462 I HN 0.181 nan 8.210 nan 0.000 0.441 463 W N -0.305 120.983 121.300 -0.020 0.000 2.915 463 W HA 0.208 4.867 4.660 -0.001 0.000 0.276 463 W C 2.137 178.552 176.519 -0.172 0.000 1.215 463 W CA -0.049 57.255 57.345 -0.069 0.000 1.514 463 W CB -0.072 29.371 29.460 -0.029 0.000 1.017 463 W HN -0.089 nan 8.180 nan 0.000 0.598 464 L N -0.318 120.869 121.223 -0.058 0.000 2.162 464 L HA 0.020 4.358 4.340 -0.002 0.000 0.205 464 L C 0.753 177.428 176.870 -0.324 0.000 1.086 464 L CA 0.386 55.069 54.840 -0.262 0.000 0.778 464 L CB -0.945 40.864 42.059 -0.417 0.000 0.928 464 L HN -0.422 nan 8.230 nan 0.000 0.446 465 V N 1.601 121.230 119.914 -0.475 0.000 2.529 465 V HA 0.057 4.176 4.120 -0.002 0.000 0.292 465 V C -1.835 174.101 176.094 -0.263 0.000 1.028 465 V CA -1.119 60.912 62.300 -0.448 0.000 1.074 465 V CB 0.229 31.582 31.823 -0.784 0.000 0.958 465 V HN 0.059 nan 8.190 nan 0.000 0.481 466 P HA 0.090 nan 4.420 nan 0.000 0.268 466 P C -1.707 175.486 177.300 -0.179 0.000 1.208 466 P CA -0.982 62.019 63.100 -0.164 0.000 0.777 466 P CB 0.042 31.673 31.700 -0.114 0.000 0.875 467 P HA -0.055 nan 4.420 nan 0.000 0.226 467 P C 0.199 177.398 177.300 -0.168 0.000 1.153 467 P CA 1.466 64.457 63.100 -0.182 0.000 0.777 467 P CB 0.153 31.735 31.700 -0.196 0.000 0.794 468 M N -3.981 115.486 119.600 -0.221 0.000 2.550 468 M HA 0.517 4.996 4.480 -0.002 0.000 0.292 468 M C -0.430 175.791 176.300 -0.131 0.000 1.221 468 M CA -0.598 54.591 55.300 -0.186 0.000 0.873 468 M CB 2.178 34.638 32.600 -0.233 0.000 1.727 468 M HN -0.373 nan 8.290 nan 0.000 0.459 469 S N 1.380 117.054 115.700 -0.044 0.000 3.559 469 S HA -0.169 4.299 4.470 -0.002 0.000 0.369 469 S C 1.012 175.621 174.600 0.015 0.000 0.987 469 S CA 0.740 58.958 58.200 0.029 0.000 1.187 469 S CB -1.746 61.559 63.200 0.176 0.000 0.914 469 S HN 1.140 nan 8.310 nan 0.000 0.480 470 G N 2.047 110.817 108.800 -0.050 0.000 2.587 470 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.217 470 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.217 470 G C 1.452 176.283 174.900 -0.115 0.000 1.240 470 G CA 1.287 46.365 45.100 -0.036 0.000 0.794 470 G HN 0.897 nan 8.290 nan 0.000 0.580 471 S N 0.112 115.464 115.700 -0.580 0.000 2.441 471 S HA -0.120 4.348 4.470 -0.002 0.000 0.242 471 S C 2.230 176.832 174.600 0.003 0.000 1.018 471 S CA 1.155 58.888 58.200 -0.778 0.000 0.988 471 S CB -0.281 62.398 63.200 -0.868 0.000 0.778 471 S HN 0.199 nan 8.310 nan 0.000 0.498 472 I N 1.915 122.508 120.570 0.038 0.000 2.928 472 I HA 0.028 4.197 4.170 -0.002 0.000 0.266 472 I C 1.402 177.646 176.117 0.212 0.000 1.234 472 I CA 0.783 62.167 61.300 0.140 0.000 1.483 472 I CB -2.013 36.096 38.000 0.182 0.000 1.097 472 I HN 0.483 nan 8.210 nan 0.000 0.455 473 T N -0.985 113.703 114.554 0.224 0.000 2.907 473 T HA 0.322 4.670 4.350 -0.002 0.000 0.284 473 T C -1.359 173.543 174.700 0.338 0.000 1.004 473 T CA -1.735 60.508 62.100 0.238 0.000 1.063 473 T CB 2.257 71.220 68.868 0.158 0.000 0.992 473 T HN -0.082 nan 8.240 nan 0.000 0.483 474 P HA -0.093 nan 4.420 nan 0.000 0.218 474 P C 1.868 179.403 177.300 0.391 0.000 1.149 474 P CA 1.168 64.454 63.100 0.310 0.000 0.817 474 P CB -0.337 31.488 31.700 0.208 0.000 0.785 475 V N -3.301 116.800 119.914 0.311 0.000 2.594 475 V HA -0.213 3.905 4.120 -0.002 0.000 0.253 475 V C 2.341 178.574 176.094 0.232 0.000 1.069 475 V CA 1.387 63.841 62.300 0.256 0.000 1.082 475 V CB -2.257 29.623 31.823 0.096 0.000 0.680 475 V HN -0.109 nan 8.190 nan 0.000 0.469 476 F N 2.425 122.471 119.950 0.161 0.000 2.171 476 F HA -0.113 4.413 4.527 -0.002 0.000 0.300 476 F C 1.979 178.019 175.800 0.401 0.000 1.090 476 F CA 2.190 60.301 58.000 0.184 0.000 1.293 476 F CB -0.303 38.739 39.000 0.070 0.000 1.013 476 F HN 0.346 nan 8.300 nan 0.000 0.486 477 H N -0.993 118.375 119.070 0.497 0.000 2.538 477 H HA 0.228 4.782 4.556 -0.003 0.000 0.286 477 H C -0.125 175.437 175.328 0.391 0.000 1.035 477 H CA 0.006 56.318 56.048 0.440 0.000 1.169 477 H CB -0.305 29.727 29.762 0.450 0.000 1.417 477 H HN 0.130 nan 8.280 nan 0.000 0.567 478 Q N 1.730 121.818 119.800 0.481 0.000 2.400 478 Q HA 0.184 4.523 4.340 -0.002 0.000 0.255 478 Q C -0.661 175.580 176.000 0.402 0.000 1.008 478 Q CA -0.470 55.568 55.803 0.390 0.000 0.841 478 Q CB 0.470 29.439 28.738 0.385 0.000 1.220 478 Q HN 0.357 nan 8.270 nan 0.000 0.474 479 E N 3.662 124.028 120.200 0.277 0.000 2.415 479 E HA 0.303 4.651 4.350 -0.002 0.000 0.262 479 E C -0.247 176.505 176.600 0.254 0.000 1.038 479 E CA 0.404 56.934 56.400 0.218 0.000 0.921 479 E CB 0.569 30.368 29.700 0.165 0.000 0.950 479 E HN 0.681 nan 8.360 nan 0.000 0.438 480 M N 0.623 120.370 119.600 0.245 0.000 2.644 480 M HA 0.462 4.941 4.480 -0.002 0.000 0.273 480 M C -1.708 174.727 176.300 0.225 0.000 1.253 480 M CA -1.132 54.334 55.300 0.277 0.000 0.852 480 M CB 1.060 33.871 32.600 0.351 0.000 1.708 480 M HN 0.133 nan 8.290 nan 0.000 0.471 481 L N 1.907 123.285 121.223 0.259 0.000 2.329 481 L HA 0.553 4.891 4.340 -0.002 0.000 0.279 481 L C -0.523 176.502 176.870 0.258 0.000 1.014 481 L CA -0.098 54.904 54.840 0.271 0.000 0.814 481 L CB 1.809 44.076 42.059 0.346 0.000 1.257 481 L HN 0.805 nan 8.230 nan 0.000 0.424 482 N N 2.700 121.543 118.700 0.237 0.000 2.392 482 N HA 0.540 5.279 4.740 -0.002 0.000 0.283 482 N C -1.847 173.800 175.510 0.228 0.000 1.003 482 N CA -0.275 52.844 53.050 0.115 0.000 0.892 482 N CB 1.467 40.020 38.487 0.110 0.000 1.193 482 N HN 0.523 nan 8.380 nan 0.000 0.487 483 Y N -0.321 120.010 120.300 0.052 0.000 2.592 483 Y HA 0.467 5.015 4.550 -0.002 0.000 0.334 483 Y C -1.440 174.460 175.900 -0.001 0.000 1.136 483 Y CA -1.152 56.960 58.100 0.020 0.000 1.042 483 Y CB 0.508 38.988 38.460 0.034 0.000 1.325 483 Y HN -0.011 nan 8.280 nan 0.000 0.457 484 V N 3.937 123.885 119.914 0.057 0.000 2.439 484 V HA 0.498 4.617 4.120 -0.002 0.000 0.282 484 V C 0.069 176.110 176.094 -0.088 0.000 1.039 484 V CA -0.390 61.783 62.300 -0.212 0.000 0.913 484 V CB 0.917 32.385 31.823 -0.591 0.000 0.983 484 V HN 0.798 nan 8.190 nan 0.000 0.460 485 L N 2.623 123.830 121.223 -0.026 0.000 2.535 485 L HA 0.778 5.117 4.340 -0.002 0.000 0.259 485 L C 0.021 176.927 176.870 0.059 0.000 1.263 485 L CA -0.594 54.280 54.840 0.056 0.000 1.282 485 L CB 1.809 43.929 42.059 0.102 0.000 1.901 485 L HN 0.622 nan 8.230 nan 0.000 0.572 486 S N -0.542 115.216 115.700 0.097 0.000 2.566 486 S HA 0.546 5.014 4.470 -0.002 0.000 0.273 486 S C -2.753 171.923 174.600 0.126 0.000 1.157 486 S CA -1.060 57.217 58.200 0.127 0.000 0.938 486 S CB 1.823 65.108 63.200 0.142 0.000 1.087 486 S HN 0.135 nan 8.310 nan 0.000 0.474 487 P HA 0.437 nan 4.420 nan 0.000 0.271 487 P C -1.201 176.103 177.300 0.006 0.000 1.238 487 P CA -0.062 63.048 63.100 0.018 0.000 0.794 487 P CB 0.205 31.851 31.700 -0.091 0.000 0.959 488 F N -0.146 119.632 119.950 -0.288 0.000 2.690 488 F HA 0.362 4.889 4.527 -0.001 0.000 0.311 488 F C -1.730 173.780 175.800 -0.484 0.000 1.111 488 F CA -0.809 56.936 58.000 -0.424 0.000 1.003 488 F CB 0.955 39.692 39.000 -0.439 0.000 1.283 488 F HN 0.148 nan 8.300 nan 0.000 0.442 489 Y N 5.140 125.030 120.300 -0.684 0.000 2.383 489 Y HA 0.410 4.959 4.550 -0.001 0.000 0.344 489 Y C -0.737 174.955 175.900 -0.347 0.000 0.986 489 Y CA -0.375 57.521 58.100 -0.340 0.000 1.175 489 Y CB 0.260 38.532 38.460 -0.313 0.000 1.152 489 Y HN 0.397 nan 8.280 nan 0.000 0.511 490 Y N 1.219 121.646 120.300 0.211 0.000 2.488 490 Y HA 0.380 4.928 4.550 -0.003 0.000 0.325 490 Y C -0.206 175.727 175.900 0.055 0.000 1.204 490 Y CA -1.065 57.126 58.100 0.153 0.000 1.229 490 Y CB 0.727 39.290 38.460 0.171 0.000 1.274 490 Y HN 0.408 nan 8.280 nan 0.000 0.493 491 Y N 0.347 120.826 120.300 0.298 0.000 2.289 491 Y HA 0.347 4.896 4.550 -0.002 0.000 0.332 491 Y C 0.173 176.137 175.900 0.108 0.000 1.324 491 Y CA -1.079 57.107 58.100 0.145 0.000 1.478 491 Y CB 0.550 39.068 38.460 0.096 0.000 1.378 491 Y HN 0.395 nan 8.280 nan 0.000 0.558 492 Q N -0.404 119.526 119.800 0.217 0.000 2.495 492 Q HA 0.509 4.847 4.340 -0.002 0.000 0.287 492 Q C -1.538 174.432 176.000 -0.051 0.000 1.078 492 Q CA -1.208 54.627 55.803 0.055 0.000 0.793 492 Q CB 2.843 31.580 28.738 -0.002 0.000 1.459 492 Q HN 0.327 nan 8.270 nan 0.000 0.422 493 V N 2.271 122.112 119.914 -0.121 0.000 2.488 493 V HA 0.021 4.139 4.120 -0.002 0.000 0.277 493 V C 0.224 176.078 176.094 -0.399 0.000 1.046 493 V CA -0.393 61.786 62.300 -0.201 0.000 0.986 493 V CB 0.871 32.596 31.823 -0.162 0.000 0.989 493 V HN 0.588 nan 8.190 nan 0.000 0.475 494 E N 3.645 123.519 120.200 -0.544 0.000 3.250 494 E HA -0.166 4.183 4.350 -0.002 0.000 0.244 494 E C 1.405 177.271 176.600 -1.224 0.000 0.931 494 E CA 0.691 56.432 56.400 -1.097 0.000 0.954 494 E CB 0.177 29.055 29.700 -1.368 0.000 0.894 494 E HN 0.812 nan 8.360 nan 0.000 0.560 495 A N 4.804 126.885 122.820 -1.232 0.000 1.927 495 A HA -0.231 4.087 4.320 -0.002 0.000 0.220 495 A C 1.787 178.634 177.584 -1.229 0.000 1.185 495 A CA 2.012 53.295 52.037 -1.257 0.000 0.639 495 A CB -0.973 16.920 19.000 -1.845 0.000 0.820 495 A HN 0.844 nan 8.150 nan 0.000 0.451 496 W N 0.292 120.962 121.300 -1.050 0.000 2.387 496 W HA -0.067 4.592 4.660 -0.001 0.000 0.272 496 W C 1.433 177.914 176.519 -0.064 0.000 1.224 496 W CA 1.069 58.161 57.345 -0.422 0.000 1.210 496 W CB -0.487 28.969 29.460 -0.008 0.000 1.125 496 W HN 0.223 nan 8.180 nan 0.000 0.572 497 K N 0.184 120.486 120.400 -0.163 0.000 2.217 497 K HA -0.038 4.281 4.320 -0.002 0.000 0.202 497 K C 1.826 178.430 176.600 0.007 0.000 1.051 497 K CA 1.891 58.196 56.287 0.028 0.000 0.952 497 K CB -0.375 32.059 32.500 -0.111 0.000 0.736 497 K HN 0.399 nan 8.250 nan 0.000 0.453 498 T N -3.217 111.288 114.554 -0.081 0.000 2.985 498 T HA 0.020 4.368 4.350 -0.002 0.000 0.254 498 T C 0.374 175.082 174.700 0.014 0.000 1.021 498 T CA -0.373 61.703 62.100 -0.040 0.000 0.957 498 T CB -0.203 68.609 68.868 -0.095 0.000 1.047 498 T HN 0.089 nan 8.240 nan 0.000 0.511 499 H N 2.889 121.919 119.070 -0.068 0.000 2.886 499 H HA 0.406 4.961 4.556 -0.003 0.000 0.329 499 H C -0.137 175.192 175.328 0.001 0.000 1.044 499 H CA -0.436 55.576 56.048 -0.060 0.000 1.456 499 H CB 0.600 30.337 29.762 -0.042 0.000 1.464 499 H HN 0.193 nan 8.280 nan 0.000 0.573 500 V N 4.017 123.568 119.914 -0.604 0.000 2.334 500 V HA 0.154 4.273 4.120 -0.002 0.000 0.267 500 V C -0.314 175.366 176.094 -0.690 0.000 1.040 500 V CA -1.151 60.911 62.300 -0.396 0.000 0.866 500 V CB -0.471 31.228 31.823 -0.206 0.000 1.019 500 V HN 0.655 nan 8.190 nan 0.000 0.468 501 W N 3.485 124.555 121.300 -0.382 0.000 2.381 501 W HA 0.310 4.969 4.660 -0.002 0.000 0.321 501 W C 1.388 177.849 176.519 -0.096 0.000 1.407 501 W CA 0.067 57.306 57.345 -0.176 0.000 1.274 501 W CB 0.330 29.797 29.460 0.012 0.000 1.310 501 W HN 0.630 nan 8.180 nan 0.000 0.551 502 Q N 2.140 121.996 119.800 0.093 0.000 2.482 502 Q HA 0.088 4.427 4.340 -0.002 0.000 0.209 502 Q C 0.722 176.787 176.000 0.109 0.000 0.961 502 Q CA 0.925 56.765 55.803 0.063 0.000 0.945 502 Q CB 0.110 28.855 28.738 0.011 0.000 1.012 502 Q HN 0.707 nan 8.270 nan 0.000 0.515 503 D N 0.000 120.515 120.400 0.192 0.000 6.856 503 D HA 0.000 4.638 4.640 -0.002 0.000 0.175 503 D CA 0.000 54.084 54.000 0.139 0.000 0.868 503 D CB 0.000 40.869 40.800 0.116 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683