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 6jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHCWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 nan 4.460 nan 0.000 0.325 64 C C 0.000 174.968 174.990 -0.036 0.000 1.270 64 C CA 0.000 59.009 59.018 -0.015 0.000 1.963 64 C CB 0.000 27.727 27.740 -0.022 0.000 2.134 65 P HA 0.006 nan 4.420 nan 0.000 0.236 65 P C -1.605 175.552 177.300 -0.239 0.000 1.177 65 P CA 0.635 63.684 63.100 -0.086 0.000 0.773 65 P CB 0.553 32.265 31.700 0.019 0.000 0.878 66 V N 0.617 120.368 119.914 -0.272 0.000 2.394 66 V HA 0.254 nan 4.120 nan 0.000 0.282 66 V C -1.188 174.773 176.094 -0.222 0.000 1.031 66 V CA -0.594 61.509 62.300 -0.329 0.000 0.881 66 V CB -0.202 31.425 31.823 -0.328 0.000 0.982 66 V HN -0.776 7.252 8.190 -0.186 0.050 0.451 67 S N 7.401 122.952 115.700 -0.249 0.000 2.240 67 S HA 0.146 nan 4.470 nan 0.000 0.281 67 S C -2.556 171.833 174.600 -0.353 0.000 0.842 67 S CA 1.175 59.200 58.200 -0.292 0.000 0.942 67 S CB 1.645 64.742 63.200 -0.173 0.000 1.241 67 S HN 1.014 9.166 8.310 -0.263 0.000 0.407 68 S N 6.989 122.390 115.700 -0.500 0.000 2.689 68 S HA 0.365 nan 4.470 nan 0.000 0.274 68 S C -1.032 173.286 174.600 -0.470 0.000 1.176 68 S CA -0.388 57.578 58.200 -0.390 0.000 1.014 68 S CB 1.365 64.426 63.200 -0.232 0.000 1.071 68 S HN -0.032 7.934 8.310 -0.572 0.000 0.478 69 Y N 6.491 126.762 120.300 -0.048 0.000 2.458 69 Y HA 0.116 nan 4.550 nan 0.000 0.254 69 Y C -1.271 174.594 175.900 -0.058 0.000 1.120 69 Y CA -0.020 58.088 58.100 0.012 0.000 1.282 69 Y CB 0.806 39.315 38.460 0.081 0.000 1.109 69 Y HN 0.727 8.938 8.280 -0.115 0.000 0.526 70 N N -3.974 114.641 118.700 -0.141 0.000 3.364 70 N HA 0.132 nan 4.740 nan 0.000 0.294 70 N C -0.573 174.686 175.510 -0.417 0.000 1.562 70 N CA -0.864 51.922 53.050 -0.440 0.000 0.862 70 N CB 1.189 38.939 38.487 -1.227 0.000 1.691 70 N HN -0.902 7.378 8.380 -0.167 0.000 0.572 71 E N -3.114 116.822 120.200 -0.440 0.000 2.479 71 E HA 0.038 nan 4.350 nan 0.000 0.193 71 E C -0.551 176.104 176.600 0.093 0.000 1.049 71 E CA 1.183 57.582 56.400 -0.002 0.000 0.870 71 E CB 0.020 29.884 29.700 0.274 0.000 0.944 71 E HN 0.191 8.112 8.360 -0.731 0.000 0.492 72 W N -4.789 116.523 121.300 0.020 0.000 2.835 72 W HA 0.200 nan 4.660 nan 0.000 0.278 72 W C -0.618 175.897 176.519 -0.006 0.000 1.075 72 W CA -0.993 56.341 57.345 -0.018 0.000 1.439 72 W CB 0.800 30.213 29.460 -0.078 0.000 0.927 72 W HN -0.660 7.078 8.180 -1.018 -0.170 0.604 73 D N 2.620 122.916 120.400 -0.173 0.000 2.443 73 D HA 0.056 nan 4.640 nan 0.000 0.234 73 D C -1.344 174.968 176.300 0.020 0.000 1.172 73 D CA 0.200 54.194 54.000 -0.009 0.000 0.878 73 D CB 0.127 40.893 40.800 -0.056 0.000 1.204 73 D HN -0.315 8.056 8.370 -0.598 -0.360 0.453 74 P HA -0.198 nan 4.420 nan 0.000 0.253 74 P C -1.470 175.834 177.300 0.007 0.000 1.159 74 P CA 0.812 63.928 63.100 0.027 0.000 0.779 74 P CB -0.157 31.561 31.700 0.030 0.000 0.745 75 L N 5.780 127.005 121.223 0.004 0.000 2.367 75 L HA -0.045 nan 4.340 nan 0.000 0.275 75 L C -1.068 175.800 176.870 -0.003 0.000 1.129 75 L CA 0.848 55.685 54.840 -0.005 0.000 0.839 75 L CB 0.677 42.737 42.059 0.001 0.000 1.133 75 L HN 0.307 8.543 8.230 0.009 0.000 0.453 76 E N 3.802 123.997 120.200 -0.009 0.000 2.414 76 E HA 0.210 nan 4.350 nan 0.000 0.208 76 E C -0.650 175.953 176.600 0.004 0.000 0.820 76 E CA 0.562 56.961 56.400 -0.003 0.000 1.143 76 E CB 3.188 32.884 29.700 -0.007 0.000 1.150 76 E HN 0.636 8.985 8.360 -0.019 0.000 0.540 77 E N -1.373 118.825 120.200 -0.004 0.000 2.331 77 E HA 0.707 nan 4.350 nan 0.000 0.275 77 E C -2.799 173.812 176.600 0.019 0.000 0.895 77 E CA -0.786 55.625 56.400 0.018 0.000 0.753 77 E CB 4.305 34.017 29.700 0.021 0.000 1.216 77 E HN -0.542 7.806 8.360 -0.021 0.000 0.434 78 V N 4.146 124.092 119.914 0.053 0.000 3.147 78 V HA 0.729 nan 4.120 nan 0.000 0.306 78 V C -2.365 173.790 176.094 0.101 0.000 1.209 78 V CA -1.805 60.530 62.300 0.058 0.000 1.023 78 V CB 4.534 36.387 31.823 0.051 0.000 1.059 78 V HN 0.873 9.104 8.190 0.069 0.000 0.435 79 I N 5.146 125.784 120.570 0.113 0.000 2.404 79 I HA 0.620 nan 4.170 nan 0.000 0.293 79 I C -1.511 174.698 176.117 0.154 0.000 0.992 79 I CA -1.085 60.308 61.300 0.154 0.000 1.149 79 I CB 2.444 40.565 38.000 0.203 0.000 1.315 79 I HN 0.223 8.484 8.210 0.086 0.000 0.446 80 V N 5.804 125.817 119.914 0.165 0.000 2.495 80 V HA 0.580 nan 4.120 nan 0.000 0.298 80 V C 0.481 176.714 176.094 0.232 0.000 1.031 80 V CA -2.154 60.265 62.300 0.199 0.000 0.871 80 V CB 1.712 33.635 31.823 0.167 0.000 0.988 80 V HN 0.575 8.854 8.190 0.149 0.000 0.432 81 G N 6.042 115.023 108.800 0.302 0.000 2.712 81 G HA2 0.158 nan 3.960 nan 0.000 0.258 81 G HA3 0.158 nan 3.960 nan 0.000 0.258 81 G C -1.952 173.138 174.900 0.317 0.000 1.241 81 G CA 0.011 45.256 45.100 0.241 0.000 0.923 81 G HN 0.621 9.118 8.290 0.345 0.000 0.548 82 R N -0.981 119.642 120.500 0.205 0.000 2.686 82 R HA 0.328 nan 4.340 nan 0.000 0.286 82 R C -0.893 175.544 176.300 0.230 0.000 0.969 82 R CA -1.317 54.927 56.100 0.240 0.000 0.898 82 R CB 3.073 33.476 30.300 0.171 0.000 1.183 82 R HN -0.161 8.031 8.270 0.057 0.112 0.456 83 A N 2.124 125.127 122.820 0.304 0.000 2.169 83 A HA 0.034 nan 4.320 nan 0.000 0.210 83 A C -0.868 176.871 177.584 0.257 0.000 1.168 83 A CA 0.339 52.545 52.037 0.282 0.000 0.813 83 A CB 0.464 19.661 19.000 0.330 0.000 0.861 83 A HN 0.358 8.677 8.150 0.282 0.000 0.481 84 E N -1.629 118.715 120.200 0.240 0.000 2.502 84 E HA -0.298 nan 4.350 nan 0.000 0.261 84 E C -0.774 176.039 176.600 0.355 0.000 0.974 84 E CA 1.069 57.610 56.400 0.235 0.000 0.936 84 E CB -0.123 29.683 29.700 0.177 0.000 0.926 84 E HN -0.185 8.268 8.360 0.219 0.039 0.459 85 N N -2.795 116.090 118.700 0.309 0.000 2.708 85 N HA -0.432 nan 4.740 nan 0.000 0.251 85 N C -1.007 174.976 175.510 0.790 0.000 1.123 85 N CA 0.957 54.294 53.050 0.479 0.000 0.739 85 N CB -1.535 37.227 38.487 0.460 0.000 1.113 85 N HN 0.277 8.765 8.380 0.179 0.000 0.561 86 A N -1.539 121.671 122.820 0.651 0.000 2.531 86 A HA -0.046 nan 4.320 nan 0.000 0.236 86 A C -0.659 177.372 177.584 0.745 0.000 1.062 86 A CA 0.863 53.299 52.037 0.665 0.000 0.760 86 A CB 0.741 20.102 19.000 0.601 0.000 0.995 86 A HN -0.633 7.774 8.150 0.510 0.049 0.501 87 C N 2.145 121.769 119.300 0.540 0.000 2.507 87 C HA 0.549 nan 4.460 nan 0.000 0.319 87 C C 0.053 175.038 174.990 -0.009 0.000 1.208 87 C CA -0.714 58.424 59.018 0.199 0.000 1.619 87 C CB 2.839 30.613 27.740 0.056 0.000 2.230 87 C HN 0.242 8.632 8.230 0.455 0.113 0.492 88 V N 5.368 124.976 119.914 -0.511 0.000 2.479 88 V HA 0.166 nan 4.120 nan 0.000 0.281 88 V C -1.566 174.418 176.094 -0.184 0.000 1.031 88 V CA -1.593 60.290 62.300 -0.696 0.000 1.038 88 V CB 0.295 31.547 31.823 -0.952 0.000 0.981 88 V HN 1.023 8.925 8.190 -0.481 0.000 0.478 89 P HA 0.384 nan 4.420 nan 0.000 0.271 89 P C -2.558 174.725 177.300 -0.027 0.000 1.218 89 P CA -2.276 60.838 63.100 0.024 0.000 0.780 89 P CB -0.540 31.197 31.700 0.061 0.000 0.901 90 P HA 0.001 nan 4.420 nan 0.000 0.269 90 P C -1.643 175.607 177.300 -0.083 0.000 1.209 90 P CA 0.065 63.109 63.100 -0.093 0.000 0.776 90 P CB 0.478 32.094 31.700 -0.140 0.000 0.876 91 F N 3.451 123.282 119.950 -0.198 0.000 2.600 91 F HA -0.009 nan 4.527 nan 0.000 0.345 91 F C -0.682 174.929 175.800 -0.314 0.000 1.271 91 F CA -0.406 57.443 58.000 -0.252 0.000 1.138 91 F CB -0.385 38.532 39.000 -0.138 0.000 1.449 91 F HN 0.226 8.596 8.300 0.118 0.000 0.645 92 T N 3.761 117.931 114.554 -0.640 0.000 2.937 92 T HA 0.318 nan 4.350 nan 0.000 0.283 92 T C 0.759 174.941 174.700 -0.864 0.000 1.012 92 T CA -2.172 59.529 62.100 -0.665 0.000 0.997 92 T CB 2.645 71.163 68.868 -0.582 0.000 1.136 92 T HN -0.180 7.691 8.240 -0.615 0.000 0.551 93 I N 1.802 121.949 120.570 -0.705 0.000 2.151 93 I HA -0.356 nan 4.170 nan 0.000 0.243 93 I C 1.190 176.937 176.117 -0.615 0.000 1.080 93 I CA 2.425 63.350 61.300 -0.626 0.000 1.339 93 I CB -0.295 37.459 38.000 -0.409 0.000 1.039 93 I HN 0.250 8.102 8.210 -0.596 0.000 0.409 94 E N -2.077 117.710 120.200 -0.688 0.000 2.204 94 E HA -0.228 nan 4.350 nan 0.000 0.194 94 E C 2.108 178.256 176.600 -0.753 0.000 0.989 94 E CA 3.078 59.121 56.400 -0.595 0.000 0.824 94 E CB -1.120 28.236 29.700 -0.573 0.000 0.756 94 E HN 0.450 8.324 8.360 -0.809 0.000 0.477 95 V N 1.504 120.812 119.914 -1.009 0.000 2.346 95 V HA -0.320 nan 4.120 nan 0.000 0.244 95 V C 2.074 177.795 176.094 -0.621 0.000 1.037 95 V CA 3.652 65.315 62.300 -1.061 0.000 1.029 95 V CB -0.658 30.556 31.823 -1.015 0.000 0.663 95 V HN -0.469 7.107 8.190 -0.985 0.024 0.454 96 K N 0.101 120.013 120.400 -0.814 0.000 2.103 96 K HA -0.342 nan 4.320 nan 0.000 0.207 96 K C 2.288 178.694 176.600 -0.324 0.000 1.048 96 K CA 3.383 59.181 56.287 -0.814 0.000 0.930 96 K CB -0.137 31.564 32.500 -1.332 0.000 0.716 96 K HN -0.047 7.585 8.250 -1.029 0.000 0.444 97 A N -4.376 118.307 122.820 -0.228 0.000 2.235 97 A HA -0.005 nan 4.320 nan 0.000 0.208 97 A C 0.154 177.811 177.584 0.121 0.000 1.172 97 A CA 1.542 53.599 52.037 0.033 0.000 0.786 97 A CB -0.456 18.568 19.000 0.041 0.000 0.804 97 A HN -0.197 7.723 8.150 -0.364 0.012 0.479 98 N N -4.054 114.720 118.700 0.122 0.000 2.282 98 N HA 0.194 nan 4.740 nan 0.000 0.240 98 N C -1.940 173.751 175.510 0.301 0.000 1.182 98 N CA -0.532 52.661 53.050 0.239 0.000 0.874 98 N CB 1.894 40.637 38.487 0.427 0.000 1.126 98 N HN -0.380 7.810 8.380 0.009 0.196 0.516 99 T N -5.403 109.369 114.554 0.364 0.000 2.864 99 T HA 0.316 nan 4.350 nan 0.000 0.299 99 T C -0.997 174.023 174.700 0.533 0.000 1.166 99 T CA -1.996 60.418 62.100 0.524 0.000 1.007 99 T CB 2.855 72.104 68.868 0.635 0.000 1.219 99 T HN -0.925 7.479 8.240 0.375 0.061 0.506 100 Y N 1.374 121.947 120.300 0.455 0.000 2.346 100 Y HA -0.063 nan 4.550 nan 0.000 0.330 100 Y C 1.368 177.124 175.900 -0.239 0.000 1.178 100 Y CA 0.369 58.574 58.100 0.174 0.000 1.331 100 Y CB 0.823 39.425 38.460 0.236 0.000 1.253 100 Y HN 0.327 9.113 8.280 0.842 0.000 0.529 101 E N 4.813 124.584 120.200 -0.714 0.000 2.171 101 E HA -0.476 nan 4.350 nan 0.000 0.197 101 E C 2.159 178.378 176.600 -0.635 0.000 0.997 101 E CA 3.545 59.043 56.400 -1.504 0.000 0.810 101 E CB -0.478 28.565 29.700 -1.095 0.000 0.738 101 E HN 0.617 8.691 8.360 -0.476 0.000 0.467 102 K N -0.786 119.404 120.400 -0.350 0.000 2.113 102 K HA -0.275 nan 4.320 nan 0.000 0.208 102 K C 0.941 177.309 176.600 -0.387 0.000 1.047 102 K CA 2.500 58.544 56.287 -0.405 0.000 0.928 102 K CB -0.309 31.838 32.500 -0.588 0.000 0.716 102 K HN 0.091 8.175 8.250 -0.228 0.030 0.446 103 Y N -6.439 113.956 120.300 0.157 0.000 2.457 103 Y HA 0.132 nan 4.550 nan 0.000 0.263 103 Y C 0.761 176.973 175.900 0.520 0.000 1.164 103 Y CA -0.185 58.129 58.100 0.358 0.000 1.274 103 Y CB -0.162 38.612 38.460 0.525 0.000 1.097 103 Y HN -0.300 7.921 8.280 0.121 0.132 0.523 104 W N 0.065 121.556 121.300 0.319 0.000 2.318 104 W HA -0.162 nan 4.660 nan 0.000 0.313 104 W C -0.620 175.718 176.519 -0.303 0.000 1.221 104 W CA 3.059 60.379 57.345 -0.042 0.000 1.266 104 W CB -2.991 26.489 29.460 0.034 0.000 1.150 104 W HN -0.330 7.877 8.180 0.255 0.126 0.496 105 P HA -0.123 nan 4.420 nan 0.000 0.223 105 P C 1.118 178.434 177.300 0.027 0.000 1.151 105 P CA 2.451 65.564 63.100 0.021 0.000 0.787 105 P CB -0.606 31.132 31.700 0.064 0.000 0.788 106 F N 1.082 121.018 119.950 -0.023 0.000 2.113 106 F HA -0.352 nan 4.527 nan 0.000 0.297 106 F C 1.002 176.664 175.800 -0.230 0.000 1.103 106 F CA 3.683 61.617 58.000 -0.110 0.000 1.248 106 F CB 0.092 39.050 39.000 -0.069 0.000 0.999 106 F HN -0.491 7.860 8.300 0.329 0.147 0.475 107 Y N -1.669 118.494 120.300 -0.229 0.000 2.200 107 Y HA -0.512 nan 4.550 nan 0.000 0.290 107 Y C 2.617 178.293 175.900 -0.373 0.000 1.137 107 Y CA 4.298 62.180 58.100 -0.364 0.000 1.163 107 Y CB -0.500 37.882 38.460 -0.131 0.000 0.988 107 Y HN -0.382 7.980 8.280 0.136 0.000 0.518 108 Q N -1.763 117.855 119.800 -0.304 0.000 2.135 108 Q HA -0.337 nan 4.340 nan 0.000 0.204 108 Q C 1.597 177.526 176.000 -0.119 0.000 0.981 108 Q CA 2.753 58.446 55.803 -0.183 0.000 0.856 108 Q CB -0.153 28.472 28.738 -0.188 0.000 0.902 108 Q HN -0.025 7.930 8.270 -0.411 0.068 0.425 109 K N -2.886 117.411 120.400 -0.171 0.000 2.141 109 K HA -0.025 nan 4.320 nan 0.000 0.202 109 K C 1.593 178.083 176.600 -0.184 0.000 1.045 109 K CA 1.564 57.763 56.287 -0.146 0.000 0.971 109 K CB 0.414 32.837 32.500 -0.128 0.000 0.795 109 K HN -0.639 7.472 8.250 -0.212 0.012 0.459 110 Q N -2.964 116.591 119.800 -0.408 0.000 2.432 110 Q HA 0.019 nan 4.340 nan 0.000 0.205 110 Q C 0.977 176.846 176.000 -0.218 0.000 0.945 110 Q CA -0.599 54.939 55.803 -0.441 0.000 0.924 110 Q CB 0.382 28.475 28.738 -1.075 0.000 1.016 110 Q HN 0.222 8.046 8.270 -0.565 0.106 0.503 111 G N -1.593 107.062 108.800 -0.242 0.000 2.150 111 G HA2 -0.333 nan 3.960 nan 0.000 0.250 111 G HA3 -0.333 nan 3.960 nan 0.000 0.250 111 G C -0.193 174.566 174.900 -0.236 0.000 1.179 111 G CA 1.421 46.409 45.100 -0.187 0.000 0.934 111 G HN -0.481 7.609 8.290 -0.254 0.047 0.453 112 G N 6.169 114.803 108.800 -0.277 0.000 2.234 112 G HA2 -0.290 nan 3.960 nan 0.000 0.235 112 G HA3 -0.290 nan 3.960 nan 0.000 0.235 112 G C -0.415 174.204 174.900 -0.469 0.000 0.997 112 G CA -0.152 44.728 45.100 -0.366 0.000 0.623 112 G HN 0.505 8.536 8.290 -0.243 0.113 0.514 113 H N 0.337 119.228 119.070 -0.299 0.000 2.523 113 H HA 0.238 nan 4.556 nan 0.000 0.345 113 H C -0.899 174.237 175.328 -0.320 0.000 1.261 113 H CA -0.774 55.098 56.048 -0.294 0.000 1.343 113 H CB 1.379 31.019 29.762 -0.204 0.000 1.650 113 H HN -0.055 7.999 8.280 -0.235 0.085 0.591 114 Y N -3.122 117.218 120.300 0.066 0.000 2.314 114 Y HA -0.074 nan 4.550 nan 0.000 0.334 114 Y C 0.025 175.922 175.900 -0.005 0.000 1.266 114 Y CA 0.888 59.033 58.100 0.075 0.000 1.391 114 Y CB 0.657 39.203 38.460 0.143 0.000 1.306 114 Y HN 0.040 8.406 8.280 0.144 0.000 0.558 115 F N 2.531 122.612 119.950 0.217 0.000 2.490 115 F HA 0.014 nan 4.527 nan 0.000 0.336 115 F C -0.811 175.047 175.800 0.098 0.000 1.178 115 F CA -0.312 57.700 58.000 0.020 0.000 1.301 115 F CB 0.029 39.001 39.000 -0.046 0.000 1.175 115 F HN -0.196 8.475 8.300 0.617 0.000 0.593 116 P HA -0.068 nan 4.420 nan 0.000 0.255 116 P C -0.307 177.169 177.300 0.293 0.000 1.161 116 P CA 0.495 63.754 63.100 0.265 0.000 0.768 116 P CB 0.043 31.944 31.700 0.335 0.000 0.746 117 K N 4.550 125.077 120.400 0.211 0.000 2.148 117 K HA -0.359 nan 4.320 nan 0.000 0.204 117 K C 1.274 177.975 176.600 0.168 0.000 1.050 117 K CA 4.089 60.476 56.287 0.167 0.000 0.942 117 K CB -0.422 32.127 32.500 0.081 0.000 0.724 117 K HN 0.629 8.986 8.250 0.179 0.000 0.446 118 D N -3.293 117.210 120.400 0.170 0.000 2.144 118 D HA -0.250 nan 4.640 nan 0.000 0.200 118 D C 1.942 178.346 176.300 0.173 0.000 0.978 118 D CA 3.195 57.278 54.000 0.139 0.000 0.833 118 D CB -1.016 39.855 40.800 0.119 0.000 0.961 118 D HN 0.379 8.854 8.370 0.174 0.000 0.470 119 H N 1.611 120.787 119.070 0.175 0.000 2.357 119 H HA -0.143 nan 4.556 nan 0.000 0.301 119 H C 2.288 177.731 175.328 0.192 0.000 1.082 119 H CA 2.691 58.863 56.048 0.208 0.000 1.342 119 H CB 0.421 30.394 29.762 0.352 0.000 1.389 119 H HN -0.880 7.617 8.280 0.375 0.008 0.511 120 L N -1.542 119.922 121.223 0.402 0.000 2.083 120 L HA -0.449 nan 4.340 nan 0.000 0.209 120 L C 1.675 178.658 176.870 0.187 0.000 1.083 120 L CA 3.053 58.073 54.840 0.300 0.000 0.752 120 L CB -0.359 41.855 42.059 0.259 0.000 0.899 120 L HN 0.153 8.550 8.230 0.395 0.070 0.433 121 K N -0.690 119.795 120.400 0.141 0.000 2.097 121 K HA -0.379 nan 4.320 nan 0.000 0.206 121 K C 2.339 178.966 176.600 0.045 0.000 1.049 121 K CA 3.545 59.880 56.287 0.079 0.000 0.933 121 K CB -0.293 32.245 32.500 0.063 0.000 0.717 121 K HN -0.049 8.283 8.250 0.162 0.016 0.442 122 K N -1.738 118.681 120.400 0.031 0.000 2.097 122 K HA -0.249 nan 4.320 nan 0.000 0.205 122 K C 2.245 178.829 176.600 -0.028 0.000 1.050 122 K CA 2.836 59.108 56.287 -0.023 0.000 0.938 122 K CB -0.137 32.310 32.500 -0.088 0.000 0.718 122 K HN -0.715 7.481 8.250 0.053 0.085 0.442 123 A N 0.053 122.888 122.820 0.025 0.000 1.898 123 A HA -0.175 nan 4.320 nan 0.000 0.216 123 A C 2.142 179.686 177.584 -0.067 0.000 1.181 123 A CA 3.131 55.161 52.037 -0.012 0.000 0.620 123 A CB -0.747 18.327 19.000 0.122 0.000 0.819 123 A HN -0.426 7.698 8.150 0.091 0.081 0.442 124 V N -0.737 119.182 119.914 0.009 0.000 2.282 124 V HA -0.539 nan 4.120 nan 0.000 0.249 124 V C 1.955 178.028 176.094 -0.034 0.000 1.057 124 V CA 4.417 66.720 62.300 0.005 0.000 1.032 124 V CB -1.220 30.629 31.823 0.043 0.000 0.645 124 V HN 0.169 8.393 8.190 0.056 0.000 0.447 125 A N -2.070 120.732 122.820 -0.031 0.000 1.883 125 A HA -0.413 nan 4.320 nan 0.000 0.217 125 A C 2.130 179.675 177.584 -0.066 0.000 1.186 125 A CA 3.450 55.464 52.037 -0.038 0.000 0.624 125 A CB -0.870 18.112 19.000 -0.031 0.000 0.822 125 A HN -0.410 7.730 8.150 -0.016 0.000 0.444 126 E N -1.131 119.009 120.200 -0.100 0.000 2.077 126 E HA -0.333 nan 4.350 nan 0.000 0.193 126 E C 2.613 179.112 176.600 -0.168 0.000 0.989 126 E CA 2.965 59.284 56.400 -0.134 0.000 0.800 126 E CB -0.060 29.533 29.700 -0.179 0.000 0.746 126 E HN -0.469 7.833 8.360 -0.096 0.000 0.452 127 I N -1.260 119.175 120.570 -0.226 0.000 2.439 127 I HA -0.300 nan 4.170 nan 0.000 0.251 127 I C 2.352 178.414 176.117 -0.093 0.000 1.139 127 I CA 2.046 63.206 61.300 -0.234 0.000 1.438 127 I CB -1.390 36.410 38.000 -0.333 0.000 1.085 127 I HN 0.222 8.300 8.210 -0.221 0.000 0.427 128 E N -0.046 120.117 120.200 -0.061 0.000 2.106 128 E HA -0.314 nan 4.350 nan 0.000 0.192 128 E C 2.728 179.315 176.600 -0.022 0.000 0.984 128 E CA 2.952 59.337 56.400 -0.024 0.000 0.806 128 E CB -0.796 28.895 29.700 -0.016 0.000 0.750 128 E HN -0.024 8.207 8.360 -0.071 0.086 0.458 129 E N 0.292 120.472 120.200 -0.033 0.000 2.047 129 E HA -0.228 nan 4.350 nan 0.000 0.191 129 E C 2.138 178.729 176.600 -0.015 0.000 0.987 129 E CA 2.232 58.617 56.400 -0.024 0.000 0.799 129 E CB -0.514 29.169 29.700 -0.030 0.000 0.752 129 E HN -0.545 7.787 8.360 -0.047 0.000 0.449 130 M N 0.088 119.679 119.600 -0.015 0.000 2.082 130 M HA -0.420 nan 4.480 nan 0.000 0.258 130 M C 1.968 178.277 176.300 0.016 0.000 1.069 130 M CA 4.053 59.363 55.300 0.016 0.000 1.102 130 M CB 0.018 32.638 32.600 0.033 0.000 1.336 130 M HN -0.318 7.949 8.290 -0.039 0.000 0.404 131 C N -1.472 117.835 119.300 0.011 0.000 2.425 131 C HA -0.409 nan 4.460 nan 0.000 0.277 131 C C 2.189 177.186 174.990 0.012 0.000 1.280 131 C CA 3.984 63.015 59.018 0.021 0.000 1.744 131 C CB -2.187 25.568 27.740 0.025 0.000 1.989 131 C HN 0.119 8.276 8.230 -0.002 0.072 0.491 132 N N 0.589 119.290 118.700 0.003 0.000 2.084 132 N HA -0.228 nan 4.740 nan 0.000 0.190 132 N C 2.052 177.558 175.510 -0.006 0.000 1.030 132 N CA 3.000 56.049 53.050 -0.002 0.000 0.849 132 N CB -0.613 37.870 38.487 -0.006 0.000 1.012 132 N HN -0.344 7.929 8.380 -0.001 0.106 0.423 133 I N 0.427 120.991 120.570 -0.010 0.000 2.286 133 I HA -0.491 nan 4.170 nan 0.000 0.248 133 I C 1.595 177.700 176.117 -0.019 0.000 1.115 133 I CA 4.115 65.403 61.300 -0.021 0.000 1.392 133 I CB -0.228 37.752 38.000 -0.033 0.000 1.065 133 I HN 0.086 8.290 8.210 -0.009 0.000 0.418 134 L N -0.600 120.618 121.223 -0.008 0.000 2.046 134 L HA -0.504 nan 4.340 nan 0.000 0.208 134 L C 1.996 178.866 176.870 0.001 0.000 1.077 134 L CA 3.677 58.515 54.840 -0.002 0.000 0.747 134 L CB -0.659 41.411 42.059 0.018 0.000 0.896 134 L HN 0.092 8.247 8.230 -0.000 0.075 0.432 135 K N -1.423 118.980 120.400 0.005 0.000 2.097 135 K HA -0.315 nan 4.320 nan 0.000 0.206 135 K C 3.154 179.753 176.600 -0.001 0.000 1.049 135 K CA 3.622 59.912 56.287 0.006 0.000 0.933 135 K CB -0.421 32.084 32.500 0.008 0.000 0.717 135 K HN -0.231 8.023 8.250 0.006 0.000 0.442 136 T N 2.508 117.058 114.554 -0.006 0.000 2.746 136 T HA -0.196 nan 4.350 nan 0.000 0.267 136 T C 1.525 176.217 174.700 -0.013 0.000 1.039 136 T CA 3.639 65.733 62.100 -0.011 0.000 1.142 136 T CB -0.391 68.468 68.868 -0.016 0.000 0.866 136 T HN -0.195 7.955 8.240 -0.007 0.086 0.444 137 E N -1.876 118.314 120.200 -0.017 0.000 2.485 137 E HA 0.048 nan 4.350 nan 0.000 0.194 137 E C 0.807 177.400 176.600 -0.011 0.000 1.098 137 E CA -0.542 55.847 56.400 -0.020 0.000 0.878 137 E CB -0.450 29.232 29.700 -0.030 0.000 0.939 137 E HN -0.070 8.195 8.360 -0.018 0.084 0.503 138 G N -1.746 107.051 108.800 -0.005 0.000 2.143 138 G HA2 -0.467 nan 3.960 nan 0.000 0.249 138 G HA3 -0.467 nan 3.960 nan 0.000 0.249 138 G C -0.693 174.210 174.900 0.005 0.000 0.981 138 G CA 0.565 45.666 45.100 0.001 0.000 0.665 138 G HN -0.175 7.885 8.290 -0.005 0.227 0.528 139 V N 0.718 120.636 119.914 0.006 0.000 2.481 139 V HA 0.135 nan 4.120 nan 0.000 0.286 139 V C 0.157 176.264 176.094 0.022 0.000 1.042 139 V CA -0.550 61.758 62.300 0.013 0.000 0.928 139 V CB 0.477 32.308 31.823 0.013 0.000 0.986 139 V HN -0.320 7.834 8.190 0.003 0.038 0.462 140 T N 9.441 124.012 114.554 0.029 0.000 2.794 140 T HA 0.148 nan 4.350 nan 0.000 0.296 140 T C -1.276 173.457 174.700 0.054 0.000 0.949 140 T CA 0.482 62.607 62.100 0.041 0.000 1.101 140 T CB 0.105 69.003 68.868 0.049 0.000 0.905 140 T HN 0.712 8.855 8.240 0.026 0.113 0.516 141 V N 6.027 125.973 119.914 0.054 0.000 2.459 141 V HA 0.543 nan 4.120 nan 0.000 0.295 141 V C -0.586 175.549 176.094 0.068 0.000 1.029 141 V CA -1.022 61.317 62.300 0.064 0.000 0.874 141 V CB 1.615 33.470 31.823 0.054 0.000 0.985 141 V HN 0.371 8.588 8.190 0.044 0.000 0.438 142 R N 6.678 127.231 120.500 0.088 0.000 2.778 142 R HA 0.539 nan 4.340 nan 0.000 0.277 142 R C -1.793 174.555 176.300 0.081 0.000 0.977 142 R CA -2.739 53.405 56.100 0.073 0.000 0.950 142 R CB 3.737 34.088 30.300 0.085 0.000 1.165 142 R HN 0.601 8.933 8.270 0.104 0.000 0.474 143 R N 1.247 121.779 120.500 0.054 0.000 2.750 143 R HA 0.535 nan 4.340 nan 0.000 0.281 143 R C -2.163 174.140 176.300 0.006 0.000 0.972 143 R CA -3.114 53.019 56.100 0.054 0.000 0.912 143 R CB 1.102 31.431 30.300 0.050 0.000 1.187 143 R HN 0.296 8.584 8.270 0.030 0.000 0.464 144 P HA 0.246 nan 4.420 nan 0.000 0.273 144 P C -1.021 176.222 177.300 -0.095 0.000 1.250 144 P CA -0.665 62.320 63.100 -0.193 0.000 0.793 144 P CB 0.930 32.323 31.700 -0.511 0.000 1.011 145 D N 0.891 121.231 120.400 -0.100 0.000 2.372 145 D HA 0.154 nan 4.640 nan 0.000 0.243 145 D C -1.625 174.660 176.300 -0.024 0.000 1.121 145 D CA -1.219 52.749 54.000 -0.053 0.000 0.898 145 D CB -0.741 40.022 40.800 -0.061 0.000 1.202 145 D HN -0.207 8.076 8.370 -0.144 0.000 0.428 146 P HA 0.087 nan 4.420 nan 0.000 0.280 146 P C -1.264 175.993 177.300 -0.071 0.000 1.244 146 P CA -0.049 63.057 63.100 0.010 0.000 0.784 146 P CB 0.790 32.497 31.700 0.011 0.000 0.913 147 I N 1.014 121.506 120.570 -0.131 0.000 2.827 147 I HA 0.073 nan 4.170 nan 0.000 0.298 147 I C -1.829 174.006 176.117 -0.470 0.000 1.235 147 I CA -1.781 59.275 61.300 -0.406 0.000 1.021 147 I CB 4.924 42.439 38.000 -0.809 0.000 1.259 147 I HN -0.387 7.823 8.210 -0.000 0.000 0.427 148 D N 4.051 124.232 120.400 -0.365 0.000 2.347 148 D HA 0.063 nan 4.640 nan 0.000 0.235 148 D C 0.110 176.250 176.300 -0.267 0.000 1.149 148 D CA -1.007 52.906 54.000 -0.144 0.000 0.850 148 D CB -0.140 40.655 40.800 -0.009 0.000 1.061 148 D HN 0.124 8.299 8.370 -0.325 0.000 0.487 149 W N 4.792 126.213 121.300 0.201 0.000 3.180 149 W HA -0.058 nan 4.660 nan 0.000 0.254 149 W C 0.117 176.684 176.519 0.081 0.000 1.318 149 W CA 0.639 58.085 57.345 0.168 0.000 1.608 149 W CB -0.394 29.195 29.460 0.215 0.000 1.124 149 W HN 0.201 8.547 8.180 0.277 0.000 0.694 150 S N -1.687 114.085 115.700 0.120 0.000 2.527 150 S HA -0.163 nan 4.470 nan 0.000 0.222 150 S C 0.331 174.907 174.600 -0.041 0.000 0.985 150 S CA 1.302 59.461 58.200 -0.068 0.000 0.921 150 S CB -0.228 62.790 63.200 -0.303 0.000 0.772 150 S HN -0.622 7.950 8.310 0.129 -0.185 0.529 151 L N 3.264 124.496 121.223 0.014 0.000 2.559 151 L HA -0.115 nan 4.340 nan 0.000 0.274 151 L C -1.097 175.782 176.870 0.015 0.000 1.205 151 L CA 0.302 55.146 54.840 0.008 0.000 0.907 151 L CB 0.923 42.987 42.059 0.009 0.000 1.153 151 L HN -0.985 7.213 8.230 0.031 0.050 0.490 152 K N 6.494 126.857 120.400 -0.062 0.000 2.276 152 K HA 0.183 nan 4.320 nan 0.000 0.285 152 K C -1.032 175.519 176.600 -0.083 0.000 1.062 152 K CA -0.516 55.675 56.287 -0.159 0.000 0.918 152 K CB 0.686 33.099 32.500 -0.144 0.000 1.055 152 K HN -0.057 8.158 8.250 -0.059 0.000 0.477 153 Y N 3.991 124.295 120.300 0.007 0.000 2.602 153 Y HA 0.415 nan 4.550 nan 0.000 0.330 153 Y C -2.370 173.496 175.900 -0.057 0.000 1.114 153 Y CA -2.809 55.271 58.100 -0.032 0.000 1.182 153 Y CB 2.711 41.171 38.460 -0.000 0.000 1.305 153 Y HN 0.816 8.589 8.280 -0.845 0.000 0.502 154 K N 1.354 121.813 120.400 0.098 0.000 2.615 154 K HA 0.377 nan 4.320 nan 0.000 0.249 154 K C -1.311 175.186 176.600 -0.172 0.000 0.977 154 K CA -0.857 55.370 56.287 -0.099 0.000 0.833 154 K CB 2.236 34.681 32.500 -0.092 0.000 1.208 154 K HN 0.023 8.348 8.250 0.126 0.000 0.443 155 T N 2.699 116.982 114.554 -0.451 0.000 2.884 155 T HA 0.527 nan 4.350 nan 0.000 0.277 155 T C -0.711 173.810 174.700 -0.298 0.000 0.976 155 T CA -3.059 58.791 62.100 -0.418 0.000 0.956 155 T CB -0.731 67.678 68.868 -0.765 0.000 1.113 155 T HN 0.559 8.338 8.240 -0.768 0.000 0.554 156 P HA 0.077 nan 4.420 nan 0.000 0.230 156 P C -0.831 176.425 177.300 -0.074 0.000 1.158 156 P CA 1.322 64.365 63.100 -0.095 0.000 0.769 156 P CB 0.328 32.002 31.700 -0.043 0.000 0.807 157 D N -3.319 117.019 120.400 -0.104 0.000 2.388 157 D HA 0.155 nan 4.640 nan 0.000 0.208 157 D C -0.542 175.839 176.300 0.134 0.000 1.035 157 D CA 1.326 55.354 54.000 0.047 0.000 0.875 157 D CB 2.487 43.398 40.800 0.186 0.000 0.984 157 D HN -0.238 7.935 8.370 -0.222 0.064 0.508 158 F N -5.804 114.125 119.950 -0.034 0.000 2.926 158 F HA 0.371 nan 4.527 nan 0.000 0.321 158 F C -3.338 172.434 175.800 -0.046 0.000 1.168 158 F CA -1.284 56.692 58.000 -0.041 0.000 0.890 158 F CB 1.230 40.211 39.000 -0.032 0.000 1.357 158 F HN -0.850 7.133 8.300 -0.528 0.000 0.468 159 E N -1.006 119.270 120.200 0.127 0.000 2.293 159 E HA 0.710 nan 4.350 nan 0.000 0.270 159 E C -2.141 174.503 176.600 0.073 0.000 0.879 159 E CA -1.331 55.060 56.400 -0.016 0.000 0.756 159 E CB 3.263 32.931 29.700 -0.053 0.000 1.208 159 E HN -0.060 8.477 8.360 0.294 0.000 0.428 160 S N 2.747 118.333 115.700 -0.190 0.000 2.615 160 S HA 0.375 nan 4.470 nan 0.000 0.268 160 S C -2.523 171.687 174.600 -0.649 0.000 1.146 160 S CA -0.848 57.179 58.200 -0.288 0.000 0.818 160 S CB 2.131 65.301 63.200 -0.050 0.000 1.111 160 S HN 0.643 8.727 8.310 -0.375 0.000 0.465 161 T N -2.099 112.240 114.554 -0.357 0.000 2.948 161 T HA 0.804 nan 4.350 nan 0.000 0.285 161 T C 0.086 174.801 174.700 0.026 0.000 1.019 161 T CA -1.695 60.269 62.100 -0.226 0.000 1.013 161 T CB 1.603 70.385 68.868 -0.143 0.000 1.117 161 T HN -0.068 8.038 8.240 -0.223 0.000 0.533 162 G N -0.407 108.584 108.800 0.318 0.000 2.563 162 G HA2 0.540 nan 3.960 nan 0.000 0.283 162 G HA3 0.540 nan 3.960 nan 0.000 0.283 162 G C -2.192 172.897 174.900 0.315 0.000 1.309 162 G CA -0.523 44.910 45.100 0.556 0.000 1.022 162 G HN -0.035 8.426 8.290 0.286 0.000 0.501 163 L N -1.998 119.306 121.223 0.134 0.000 3.405 163 L HA 0.556 nan 4.340 nan 0.000 0.176 163 L C -1.520 175.087 176.870 -0.438 0.000 1.340 163 L CA -0.613 54.124 54.840 -0.172 0.000 0.975 163 L CB 3.092 44.917 42.059 -0.389 0.000 1.509 163 L HN -0.118 8.189 8.230 0.128 0.000 0.646 164 Y N -8.134 111.636 120.300 -0.883 0.000 2.925 164 Y HA 0.357 nan 4.550 nan 0.000 0.349 164 Y C -2.123 173.066 175.900 -1.184 0.000 1.342 164 Y CA -1.892 55.413 58.100 -1.326 0.000 1.093 164 Y CB 0.636 38.840 38.460 -0.428 0.000 1.571 164 Y HN -0.712 7.006 8.280 -0.936 0.000 0.438 165 S N -1.467 114.073 115.700 -0.268 0.000 2.751 165 S HA 0.238 nan 4.470 nan 0.000 0.247 165 S C 0.944 175.460 174.600 -0.139 0.000 1.103 165 S CA -1.716 56.454 58.200 -0.050 0.000 1.090 165 S CB 0.314 63.550 63.200 0.060 0.000 0.928 165 S HN 0.383 8.613 8.310 -0.133 0.000 0.502 166 A N 1.535 124.004 122.820 -0.585 0.000 1.929 166 A HA -0.016 nan 4.320 nan 0.000 0.216 166 A C -0.810 176.180 177.584 -0.991 0.000 1.176 166 A CA 2.466 53.862 52.037 -1.068 0.000 0.628 166 A CB 0.028 17.869 19.000 -1.931 0.000 0.816 166 A HN -0.066 7.588 8.150 -0.710 0.070 0.444 167 M N -4.647 114.565 119.600 -0.646 0.000 2.208 167 M HA 0.410 nan 4.480 nan 0.000 0.352 167 M C -1.927 174.271 176.300 -0.171 0.000 1.137 167 M CA -4.405 50.636 55.300 -0.431 0.000 1.091 167 M CB -1.155 31.218 32.600 -0.378 0.000 1.309 167 M HN -0.366 7.626 8.290 -0.497 0.000 0.408 168 P HA -0.160 nan 4.420 nan 0.000 0.220 168 P C 0.815 177.983 177.300 -0.220 0.000 1.148 168 P CA 2.263 65.283 63.100 -0.133 0.000 0.803 168 P CB -0.046 31.659 31.700 0.008 0.000 0.782 169 R N -3.256 117.131 120.500 -0.189 0.000 2.189 169 R HA -0.254 nan 4.340 nan 0.000 0.223 169 R C 0.654 176.833 176.300 -0.201 0.000 1.092 169 R CA 2.409 58.393 56.100 -0.194 0.000 0.989 169 R CB -0.576 29.598 30.300 -0.211 0.000 0.876 169 R HN -0.644 7.494 8.270 -0.174 0.028 0.457 170 D N -2.932 117.322 120.400 -0.243 0.000 2.224 170 D HA -0.038 nan 4.640 nan 0.000 0.205 170 D C 0.958 177.171 176.300 -0.145 0.000 0.965 170 D CA 2.934 56.790 54.000 -0.240 0.000 0.852 170 D CB 0.720 41.394 40.800 -0.210 0.000 0.947 170 D HN -0.457 7.623 8.370 -0.235 0.149 0.494 171 I N -2.993 117.465 120.570 -0.186 0.000 4.032 171 I HA 0.188 nan 4.170 nan 0.000 0.313 171 I C -1.987 174.005 176.117 -0.208 0.000 1.272 171 I CA 0.257 61.439 61.300 -0.196 0.000 1.307 171 I CB 1.967 39.844 38.000 -0.205 0.000 1.155 171 I HN -0.809 7.137 8.210 -0.228 0.128 0.431 172 L N -1.815 119.264 121.223 -0.241 0.000 2.346 172 L HA 0.578 nan 4.340 nan 0.000 0.276 172 L C -1.758 175.044 176.870 -0.114 0.000 1.006 172 L CA -0.966 53.764 54.840 -0.185 0.000 0.817 172 L CB 2.201 44.114 42.059 -0.243 0.000 1.272 172 L HN -0.286 7.781 8.230 -0.272 0.000 0.421 173 I N 1.535 122.061 120.570 -0.073 0.000 2.582 173 I HA 0.359 nan 4.170 nan 0.000 0.292 173 I C -2.492 173.585 176.117 -0.068 0.000 1.066 173 I CA -1.915 59.351 61.300 -0.057 0.000 1.053 173 I CB 4.418 42.393 38.000 -0.042 0.000 1.241 173 I HN 0.171 8.344 8.210 -0.062 0.000 0.421 174 V N 7.743 127.605 119.914 -0.086 0.000 2.370 174 V HA 0.583 nan 4.120 nan 0.000 0.283 174 V C -1.489 174.516 176.094 -0.149 0.000 1.023 174 V CA -0.760 61.470 62.300 -0.116 0.000 0.857 174 V CB 0.865 32.601 31.823 -0.146 0.000 0.985 174 V HN 0.209 8.352 8.190 -0.079 0.000 0.443 175 V N 6.783 126.593 119.914 -0.173 0.000 2.349 175 V HA 0.580 nan 4.120 nan 0.000 0.284 175 V C 0.456 176.421 176.094 -0.214 0.000 1.014 175 V CA -1.811 60.329 62.300 -0.266 0.000 0.826 175 V CB 0.075 31.634 31.823 -0.441 0.000 1.009 175 V HN 0.628 8.739 8.190 -0.131 0.000 0.431 176 G N 8.030 116.659 108.800 -0.286 0.000 2.561 176 G HA2 -0.451 nan 3.960 nan 0.000 0.289 176 G HA3 -0.451 nan 3.960 nan 0.000 0.289 176 G C -0.361 174.374 174.900 -0.274 0.000 1.169 176 G CA 1.441 46.344 45.100 -0.330 0.000 0.980 176 G HN 0.138 8.206 8.290 -0.369 0.000 0.550 177 N N 4.859 123.508 118.700 -0.084 0.000 2.276 177 N HA 0.035 nan 4.740 nan 0.000 0.212 177 N C -1.639 173.860 175.510 -0.019 0.000 1.127 177 N CA -0.143 52.869 53.050 -0.064 0.000 0.834 177 N CB 0.208 38.694 38.487 -0.002 0.000 1.014 177 N HN 0.193 8.585 8.380 0.019 0.000 0.491 178 E N 0.406 120.596 120.200 -0.017 0.000 2.158 178 E HA 0.474 nan 4.350 nan 0.000 0.271 178 E C -2.709 173.902 176.600 0.019 0.000 0.911 178 E CA -1.427 55.001 56.400 0.046 0.000 0.767 178 E CB 2.757 32.505 29.700 0.080 0.000 1.120 178 E HN -0.457 7.771 8.360 -0.057 0.098 0.405 179 I N 7.193 127.805 120.570 0.070 0.000 2.321 179 I HA 0.597 nan 4.170 nan 0.000 0.291 179 I C -2.224 173.962 176.117 0.116 0.000 0.998 179 I CA -1.062 60.264 61.300 0.043 0.000 1.227 179 I CB 2.179 40.186 38.000 0.011 0.000 1.368 179 I HN 0.506 8.796 8.210 0.133 0.000 0.466 180 I N 9.501 130.108 120.570 0.062 0.000 2.378 180 I HA 0.374 nan 4.170 nan 0.000 0.291 180 I C -1.540 174.585 176.117 0.013 0.000 0.992 180 I CA -1.056 60.288 61.300 0.072 0.000 1.154 180 I CB 1.620 39.660 38.000 0.066 0.000 1.315 180 I HN 0.998 9.215 8.210 0.012 0.000 0.448 181 E N 7.185 127.385 120.200 0.000 0.000 2.115 181 E HA 0.385 nan 4.350 nan 0.000 0.282 181 E C -0.976 175.491 176.600 -0.222 0.000 0.987 181 E CA -1.424 54.925 56.400 -0.086 0.000 0.797 181 E CB 1.079 30.750 29.700 -0.047 0.000 1.086 181 E HN 0.383 8.769 8.360 0.042 0.000 0.397 182 A N 5.966 128.628 122.820 -0.263 0.000 2.406 182 A HA 0.126 nan 4.320 nan 0.000 0.243 182 A C -1.654 175.556 177.584 -0.624 0.000 1.082 182 A CA -1.405 50.298 52.037 -0.557 0.000 0.786 182 A CB -0.819 17.954 19.000 -0.379 0.000 1.029 182 A HN 0.802 8.729 8.150 -0.187 0.111 0.495 183 P HA -0.041 nan 4.420 nan 0.000 0.221 183 P C -0.746 176.298 177.300 -0.427 0.000 1.155 183 P CA 0.848 63.569 63.100 -0.632 0.000 0.812 183 P CB 0.520 31.819 31.700 -0.669 0.000 0.801 184 M N -5.555 113.815 119.600 -0.383 0.000 7.319 184 M HA -0.352 nan 4.480 nan 0.000 0.149 184 M C -0.722 175.536 176.300 -0.071 0.000 0.480 184 M CA 0.745 55.939 55.300 -0.178 0.000 1.311 184 M CB -1.684 30.849 32.600 -0.111 0.000 0.421 184 M HN -0.188 7.770 8.290 -0.553 0.000 0.280 185 A N -2.124 120.738 122.820 0.071 0.000 2.701 185 A HA 0.295 nan 4.320 nan 0.000 0.241 185 A C -1.736 176.100 177.584 0.419 0.000 1.231 185 A CA 0.346 52.507 52.037 0.205 0.000 1.003 185 A CB 1.618 20.739 19.000 0.202 0.000 1.281 185 A HN 0.371 8.558 8.150 0.061 0.000 0.600 186 W N -2.017 119.299 121.300 0.028 0.000 2.469 186 W HA 0.432 nan 4.660 nan 0.000 0.320 186 W C 1.219 177.713 176.519 -0.041 0.000 1.086 186 W CA -2.304 55.018 57.345 -0.038 0.000 1.211 186 W CB 0.755 30.184 29.460 -0.052 0.000 1.298 186 W HN -0.624 7.758 8.180 0.338 0.000 0.525 187 R N 4.896 125.366 120.500 -0.050 0.000 2.120 187 R HA -0.395 nan 4.340 nan 0.000 0.234 187 R C 1.660 178.082 176.300 0.205 0.000 1.123 187 R CA 4.053 60.002 56.100 -0.251 0.000 0.975 187 R CB -0.263 29.587 30.300 -0.750 0.000 0.866 187 R HN 0.513 8.961 8.270 -0.229 -0.315 0.446 188 S N -2.346 113.479 115.700 0.209 0.000 2.607 188 S HA -0.149 nan 4.470 nan 0.000 0.224 188 S C 0.466 175.317 174.600 0.418 0.000 0.969 188 S CA 2.468 60.869 58.200 0.334 0.000 0.927 188 S CB -0.530 62.781 63.200 0.186 0.000 0.772 188 S HN 0.225 8.575 8.310 0.096 0.018 0.533 189 R N -1.037 119.687 120.500 0.373 0.000 2.543 189 R HA 0.174 nan 4.340 nan 0.000 0.323 189 R C 1.348 177.791 176.300 0.238 0.000 1.002 189 R CA -0.830 55.413 56.100 0.239 0.000 1.106 189 R CB -0.179 30.178 30.300 0.096 0.000 1.280 189 R HN -0.436 7.870 8.270 0.378 0.192 0.549 190 F N 2.797 122.849 119.950 0.171 0.000 2.095 190 F HA -0.346 nan 4.527 nan 0.000 0.298 190 F C -0.392 175.262 175.800 -0.242 0.000 1.104 190 F CA 4.316 62.291 58.000 -0.042 0.000 1.232 190 F CB 0.513 39.503 39.000 -0.018 0.000 0.987 190 F HN -0.756 7.828 8.300 0.589 0.069 0.475 191 F N -5.310 114.708 119.950 0.115 0.000 2.730 191 F HA 0.169 nan 4.527 nan 0.000 0.295 191 F C 0.919 176.602 175.800 -0.195 0.000 1.143 191 F CA -1.231 56.608 58.000 -0.269 0.000 1.367 191 F CB -0.609 38.163 39.000 -0.380 0.000 0.970 191 F HN -0.523 7.935 8.300 0.264 0.000 0.514 192 E N 2.497 122.809 120.200 0.187 0.000 2.153 192 E HA -0.364 nan 4.350 nan 0.000 0.194 192 E C 1.486 178.295 176.600 0.349 0.000 0.988 192 E CA 3.518 60.105 56.400 0.311 0.000 0.811 192 E CB -0.145 29.641 29.700 0.144 0.000 0.746 192 E HN -0.473 7.804 8.360 0.155 0.176 0.466 193 Y N -4.143 116.333 120.300 0.293 0.000 2.384 193 Y HA -0.306 nan 4.550 nan 0.000 0.289 193 Y C 1.925 178.021 175.900 0.327 0.000 1.152 193 Y CA 1.237 59.511 58.100 0.290 0.000 1.258 193 Y CB -1.142 37.395 38.460 0.127 0.000 0.979 193 Y HN -0.088 8.300 8.280 0.215 0.021 0.549 194 R N -0.545 119.905 120.500 -0.082 0.000 2.159 194 R HA -0.431 nan 4.340 nan 0.000 0.237 194 R C 1.268 177.614 176.300 0.077 0.000 1.131 194 R CA 2.795 58.893 56.100 -0.003 0.000 0.982 194 R CB -0.634 29.566 30.300 -0.167 0.000 0.868 194 R HN -0.611 7.345 8.270 -0.451 0.044 0.453 195 A N -3.493 119.402 122.820 0.125 0.000 2.066 195 A HA -0.058 nan 4.320 nan 0.000 0.218 195 A C 1.289 178.758 177.584 -0.192 0.000 1.157 195 A CA 2.182 54.189 52.037 -0.049 0.000 0.670 195 A CB 0.147 19.131 19.000 -0.025 0.000 0.804 195 A HN -0.477 7.808 8.150 0.268 0.026 0.453 196 Y N -3.680 116.695 120.300 0.125 0.000 2.462 196 Y HA 0.063 nan 4.550 nan 0.000 0.261 196 Y C 1.722 177.627 175.900 0.009 0.000 1.146 196 Y CA 1.701 59.841 58.100 0.066 0.000 1.283 196 Y CB -0.132 38.372 38.460 0.074 0.000 1.090 196 Y HN -0.536 7.807 8.280 0.341 0.142 0.526 197 R N 0.241 120.845 120.500 0.172 0.000 2.105 197 R HA -0.359 nan 4.340 nan 0.000 0.239 197 R C 2.063 178.347 176.300 -0.026 0.000 1.135 197 R CA 2.930 59.079 56.100 0.082 0.000 0.967 197 R CB -1.245 29.164 30.300 0.182 0.000 0.861 197 R HN -0.579 7.813 8.270 0.203 0.000 0.442 198 S N -0.191 115.500 115.700 -0.015 0.000 2.368 198 S HA -0.215 nan 4.470 nan 0.000 0.225 198 S C 2.205 176.732 174.600 -0.122 0.000 1.030 198 S CA 3.795 61.967 58.200 -0.047 0.000 0.999 198 S CB -0.734 62.443 63.200 -0.040 0.000 0.844 198 S HN 0.168 8.482 8.310 0.007 0.000 0.459 199 I N 1.946 122.427 120.570 -0.148 0.000 2.202 199 I HA -0.422 nan 4.170 nan 0.000 0.242 199 I C 1.540 177.377 176.117 -0.467 0.000 1.091 199 I CA 3.510 64.621 61.300 -0.315 0.000 1.368 199 I CB -0.107 37.780 38.000 -0.188 0.000 1.058 199 I HN -0.933 7.231 8.210 -0.077 0.000 0.410 200 I N -0.063 120.324 120.570 -0.304 0.000 2.226 200 I HA -0.641 nan 4.170 nan 0.000 0.245 200 I C 1.847 177.677 176.117 -0.477 0.000 1.100 200 I CA 4.581 65.634 61.300 -0.411 0.000 1.374 200 I CB -0.433 37.166 38.000 -0.669 0.000 1.057 200 I HN -0.279 7.816 8.210 -0.192 0.000 0.413 201 K N -1.162 118.996 120.400 -0.404 0.000 2.147 201 K HA -0.422 nan 4.320 nan 0.000 0.205 201 K C 2.221 178.896 176.600 0.124 0.000 1.049 201 K CA 3.820 60.014 56.287 -0.155 0.000 0.936 201 K CB -0.546 31.971 32.500 0.028 0.000 0.722 201 K HN 0.127 8.173 8.250 -0.341 0.000 0.446 202 D N -0.151 120.255 120.400 0.010 0.000 2.097 202 D HA -0.220 nan 4.640 nan 0.000 0.197 202 D C 2.259 178.614 176.300 0.093 0.000 0.984 202 D CA 3.137 57.164 54.000 0.046 0.000 0.826 202 D CB -0.130 40.572 40.800 -0.162 0.000 0.973 202 D HN -0.662 7.518 8.370 -0.140 0.106 0.460 203 Y N -1.491 118.831 120.300 0.036 0.000 2.224 203 Y HA -0.344 nan 4.550 nan 0.000 0.289 203 Y C 2.246 178.175 175.900 0.048 0.000 1.146 203 Y CA 1.913 60.025 58.100 0.020 0.000 1.182 203 Y CB -0.609 37.837 38.460 -0.024 0.000 0.983 203 Y HN -0.413 7.701 8.280 -0.277 0.000 0.524 204 F N 0.954 120.949 119.950 0.075 0.000 2.113 204 F HA -0.440 nan 4.527 nan 0.000 0.297 204 F C 2.248 178.068 175.800 0.033 0.000 1.103 204 F CA 3.833 61.862 58.000 0.048 0.000 1.248 204 F CB -0.062 38.958 39.000 0.034 0.000 0.999 204 F HN 0.188 8.534 8.300 0.234 0.095 0.475 205 H N -0.448 118.674 119.070 0.086 0.000 2.387 205 H HA -0.260 nan 4.556 nan 0.000 0.299 205 H C 1.618 176.905 175.328 -0.069 0.000 1.099 205 H CA 3.455 59.495 56.048 -0.014 0.000 1.315 205 H CB 0.023 29.823 29.762 0.064 0.000 1.380 205 H HN 0.017 8.408 8.280 0.185 0.000 0.513 206 R N -4.030 116.531 120.500 0.103 0.000 2.319 206 R HA -0.026 nan 4.340 nan 0.000 0.204 206 R C 0.565 176.866 176.300 0.001 0.000 0.954 206 R CA -0.063 56.075 56.100 0.063 0.000 1.066 206 R CB 0.194 30.564 30.300 0.115 0.000 0.991 206 R HN -0.461 7.795 8.270 0.157 0.109 0.486 207 G N -3.116 105.631 108.800 -0.089 0.000 2.184 207 G HA2 -0.260 nan 3.960 nan 0.000 0.206 207 G HA3 -0.260 nan 3.960 nan 0.000 0.206 207 G C -0.766 174.092 174.900 -0.069 0.000 0.995 207 G CA -0.448 44.588 45.100 -0.106 0.000 0.651 207 G HN -0.201 7.793 8.290 -0.164 0.198 0.511 208 A N 0.784 123.598 122.820 -0.010 0.000 2.351 208 A HA 0.070 nan 4.320 nan 0.000 0.257 208 A C -0.582 177.114 177.584 0.187 0.000 1.087 208 A CA -0.122 51.955 52.037 0.065 0.000 0.798 208 A CB 1.154 20.198 19.000 0.074 0.000 1.033 208 A HN -0.194 7.963 8.150 0.011 0.000 0.488 209 K N 0.917 121.434 120.400 0.194 0.000 2.218 209 K HA 0.105 nan 4.320 nan 0.000 0.276 209 K C -1.389 175.454 176.600 0.406 0.000 1.022 209 K CA -0.166 56.298 56.287 0.295 0.000 0.946 209 K CB 1.314 33.930 32.500 0.195 0.000 1.000 209 K HN 0.180 8.502 8.250 0.121 0.000 0.468 210 W N 2.258 123.686 121.300 0.214 0.000 2.781 210 W HA 0.455 nan 4.660 nan 0.000 0.333 210 W C -1.353 175.189 176.519 0.038 0.000 1.047 210 W CA -1.968 55.441 57.345 0.106 0.000 1.236 210 W CB 1.753 31.242 29.460 0.048 0.000 1.394 210 W HN -0.012 8.481 8.180 0.521 0.000 0.466 211 T N 9.022 123.781 114.554 0.341 0.000 2.886 211 T HA 0.424 nan 4.350 nan 0.000 0.292 211 T C -1.707 173.009 174.700 0.027 0.000 1.012 211 T CA -0.207 61.943 62.100 0.083 0.000 0.982 211 T CB 3.382 72.332 68.868 0.136 0.000 1.018 211 T HN 0.348 8.897 8.240 0.515 0.000 0.451 212 T N 0.576 115.039 114.554 -0.151 0.000 2.815 212 T HA 0.589 nan 4.350 nan 0.000 0.289 212 T C -0.332 174.154 174.700 -0.357 0.000 1.000 212 T CA -2.449 59.509 62.100 -0.236 0.000 0.958 212 T CB 0.786 69.464 68.868 -0.316 0.000 0.944 212 T HN 0.242 8.366 8.240 -0.194 0.000 0.442 213 A N 6.970 129.467 122.820 -0.539 0.000 2.425 213 A HA 0.241 nan 4.320 nan 0.000 0.242 213 A C -1.891 175.196 177.584 -0.827 0.000 1.077 213 A CA -1.288 50.080 52.037 -1.115 0.000 0.781 213 A CB -0.511 17.770 19.000 -1.199 0.000 1.020 213 A HN 0.060 7.951 8.150 -0.431 0.000 0.494 214 P HA -0.083 nan 4.420 nan 0.000 0.257 214 P C -1.448 175.580 177.300 -0.454 0.000 1.189 214 P CA 0.183 62.970 63.100 -0.522 0.000 0.780 214 P CB 0.419 31.849 31.700 -0.449 0.000 0.772 215 K N 6.116 126.282 120.400 -0.389 0.000 2.412 215 K HA 0.102 nan 4.320 nan 0.000 0.284 215 K C -1.638 174.841 176.600 -0.201 0.000 1.046 215 K CA -1.111 54.949 56.287 -0.379 0.000 0.999 215 K CB -0.248 31.994 32.500 -0.430 0.000 0.941 215 K HN 0.140 8.170 8.250 -0.366 0.000 0.474 216 P HA 0.102 nan 4.420 nan 0.000 0.272 216 P C -1.239 176.181 177.300 0.200 0.000 1.240 216 P CA -0.709 62.391 63.100 0.000 0.000 0.791 216 P CB 1.024 32.724 31.700 0.000 0.000 0.978 217 T N -4.275 110.407 114.554 0.213 0.000 3.014 217 T HA 0.023 nan 4.350 nan 0.000 0.263 217 T C 0.718 175.651 174.700 0.389 0.000 1.078 217 T CA 0.375 62.652 62.100 0.296 0.000 1.135 217 T CB 0.374 69.391 68.868 0.248 0.000 0.895 217 T HN 0.058 8.880 8.240 0.153 -0.490 0.480 218 M N -1.965 117.807 119.600 0.286 0.000 2.653 218 M HA -0.503 nan 4.480 nan 0.000 0.203 218 M C -1.069 175.370 176.300 0.231 0.000 0.502 218 M CA 0.674 56.097 55.300 0.205 0.000 0.601 218 M CB -2.039 30.671 32.600 0.184 0.000 2.228 218 M HN -0.262 8.418 8.290 0.227 -0.253 0.711 219 A N -1.733 121.200 122.820 0.188 0.000 2.327 219 A HA -0.032 nan 4.320 nan 0.000 0.255 219 A C 0.848 178.428 177.584 -0.007 0.000 1.099 219 A CA -0.306 51.800 52.037 0.115 0.000 0.801 219 A CB 0.738 19.775 19.000 0.063 0.000 1.062 219 A HN -0.816 7.448 8.150 0.228 0.022 0.496 220 D N 0.850 121.245 120.400 -0.008 0.000 2.203 220 D HA -0.416 nan 4.640 nan 0.000 0.199 220 D C 2.076 178.276 176.300 -0.167 0.000 0.997 220 D CA 3.945 57.938 54.000 -0.010 0.000 0.863 220 D CB -0.401 40.377 40.800 -0.037 0.000 0.928 220 D HN 0.674 9.049 8.370 0.010 0.000 0.458 221 E N -1.914 118.030 120.200 -0.427 0.000 2.333 221 E HA -0.238 nan 4.350 nan 0.000 0.198 221 E C 1.191 177.440 176.600 -0.585 0.000 1.007 221 E CA 2.064 58.045 56.400 -0.697 0.000 0.845 221 E CB -0.685 28.104 29.700 -1.518 0.000 0.766 221 E HN 0.274 8.343 8.360 -0.436 0.029 0.507 222 L N -2.835 118.078 121.223 -0.518 0.000 2.313 222 L HA -0.116 nan 4.340 nan 0.000 0.214 222 L C -1.204 175.284 176.870 -0.636 0.000 1.119 222 L CA 0.701 55.250 54.840 -0.484 0.000 0.809 222 L CB 1.027 42.723 42.059 -0.605 0.000 0.933 222 L HN -0.180 7.594 8.230 -0.491 0.162 0.449 223 Y N -4.223 116.011 120.300 -0.110 0.000 2.446 223 Y HA 0.269 nan 4.550 nan 0.000 0.338 223 Y C -0.466 175.363 175.900 -0.119 0.000 1.055 223 Y CA -1.935 56.088 58.100 -0.128 0.000 1.101 223 Y CB 1.619 39.979 38.460 -0.166 0.000 1.221 223 Y HN -0.464 7.461 8.280 -0.349 0.146 0.460 224 N N 3.893 122.614 118.700 0.035 0.000 2.719 224 N HA 0.140 nan 4.740 nan 0.000 0.243 224 N C 0.506 176.031 175.510 0.025 0.000 1.104 224 N CA -0.600 52.463 53.050 0.023 0.000 0.981 224 N CB -0.378 38.135 38.487 0.042 0.000 1.290 224 N HN 0.520 8.805 8.380 0.013 0.102 0.513 225 Q N 2.001 121.802 119.800 0.003 0.000 2.325 225 Q HA -0.358 nan 4.340 nan 0.000 0.211 225 Q C -0.093 175.882 176.000 -0.042 0.000 0.988 225 Q CA 2.661 58.438 55.803 -0.043 0.000 0.887 225 Q CB -0.458 28.250 28.738 -0.050 0.000 0.915 225 Q HN -0.014 8.260 8.270 0.006 0.000 0.440 226 D N -6.767 113.634 120.400 0.002 0.000 2.424 226 D HA 0.024 nan 4.640 nan 0.000 0.220 226 D C -0.621 175.699 176.300 0.033 0.000 1.150 226 D CA -1.691 52.311 54.000 0.002 0.000 0.831 226 D CB -0.941 39.863 40.800 0.006 0.000 0.981 226 D HN -0.260 8.061 8.370 0.020 0.062 0.500 227 Y N 4.749 124.986 120.300 -0.104 0.000 2.849 227 Y HA -0.181 nan 4.550 nan 0.000 0.362 227 Y C -0.752 175.049 175.900 -0.165 0.000 1.320 227 Y CA -1.815 56.219 58.100 -0.111 0.000 1.678 227 Y CB -0.168 38.222 38.460 -0.116 0.000 1.220 227 Y HN -0.080 8.122 8.280 0.142 0.163 0.518 228 P HA -0.077 nan 4.420 nan 0.000 0.235 228 P C -1.990 174.955 177.300 -0.592 0.000 1.720 228 P CA 0.170 63.041 63.100 -0.380 0.000 1.003 228 P CB -1.926 29.667 31.700 -0.178 0.000 1.968 229 I N 0.807 120.968 120.570 -0.682 0.000 2.404 229 I HA 0.111 nan 4.170 nan 0.000 0.293 229 I C -2.046 173.796 176.117 -0.458 0.000 0.992 229 I CA -1.678 59.339 61.300 -0.472 0.000 1.149 229 I CB 2.060 39.884 38.000 -0.293 0.000 1.315 229 I HN -0.117 7.676 8.210 -0.594 0.060 0.446 230 H N 7.205 126.385 119.070 0.182 0.000 3.622 230 H HA 0.202 nan 4.556 nan 0.000 0.259 230 H C -1.308 174.186 175.328 0.277 0.000 1.145 230 H CA -0.287 55.944 56.048 0.305 0.000 1.178 230 H CB 2.407 32.257 29.762 0.146 0.000 1.542 230 H HN -0.027 8.466 8.280 0.047 -0.185 0.586 231 S N -3.048 112.798 115.700 0.242 0.000 2.588 231 S HA 0.104 nan 4.470 nan 0.000 0.269 231 S C -0.395 174.209 174.600 0.008 0.000 1.157 231 S CA -1.142 57.084 58.200 0.043 0.000 0.824 231 S CB 2.148 65.371 63.200 0.040 0.000 1.126 231 S HN -0.862 7.658 8.310 0.201 -0.089 0.464 232 V N 2.058 121.917 119.914 -0.091 0.000 2.594 232 V HA -0.306 nan 4.120 nan 0.000 0.253 232 V C 1.501 177.433 176.094 -0.269 0.000 1.069 232 V CA 4.018 66.183 62.300 -0.225 0.000 1.082 232 V CB -0.272 31.378 31.823 -0.289 0.000 0.680 232 V HN 0.201 8.532 8.190 -0.110 -0.207 0.469 233 E N -1.337 118.837 120.200 -0.044 0.000 2.110 233 E HA -0.423 nan 4.350 nan 0.000 0.193 233 E C 2.046 178.669 176.600 0.038 0.000 0.988 233 E CA 3.408 59.852 56.400 0.073 0.000 0.804 233 E CB -0.628 29.132 29.700 0.099 0.000 0.745 233 E HN 0.091 8.420 8.360 -0.008 0.026 0.458 234 D N -0.663 119.737 120.400 0.000 0.000 2.097 234 D HA -0.240 nan 4.640 nan 0.000 0.195 234 D C 2.139 178.389 176.300 -0.083 0.000 0.989 234 D CA 3.156 57.141 54.000 -0.025 0.000 0.827 234 D CB -0.501 40.283 40.800 -0.027 0.000 0.966 234 D HN -0.657 7.626 8.370 0.008 0.092 0.456 235 R N -0.258 120.170 120.500 -0.120 0.000 2.105 235 R HA -0.399 nan 4.340 nan 0.000 0.239 235 R C 2.216 178.498 176.300 -0.029 0.000 1.135 235 R CA 3.323 59.361 56.100 -0.104 0.000 0.967 235 R CB -0.083 30.178 30.300 -0.066 0.000 0.861 235 R HN -0.623 7.581 8.270 -0.111 0.000 0.442 236 H N -1.467 117.621 119.070 0.030 0.000 2.387 236 H HA -0.240 nan 4.556 nan 0.000 0.299 236 H C 2.526 177.867 175.328 0.021 0.000 1.090 236 H CA 2.917 58.992 56.048 0.045 0.000 1.332 236 H CB -0.130 29.667 29.762 0.059 0.000 1.386 236 H HN -0.387 7.775 8.280 -0.181 0.010 0.516 237 K N -0.240 120.233 120.400 0.122 0.000 2.025 237 K HA -0.278 nan 4.320 nan 0.000 0.207 237 K C 2.301 178.899 176.600 -0.002 0.000 1.049 237 K CA 2.859 59.179 56.287 0.056 0.000 0.933 237 K CB -0.165 32.354 32.500 0.033 0.000 0.714 237 K HN -0.731 7.477 8.250 0.104 0.105 0.438 238 L N -1.434 119.756 121.223 -0.055 0.000 2.046 238 L HA -0.369 nan 4.340 nan 0.000 0.208 238 L C 2.009 178.769 176.870 -0.184 0.000 1.077 238 L CA 2.937 57.711 54.840 -0.109 0.000 0.747 238 L CB -0.271 41.685 42.059 -0.172 0.000 0.896 238 L HN 0.098 8.290 8.230 -0.062 0.000 0.432 239 A N -1.700 121.010 122.820 -0.183 0.000 1.978 239 A HA -0.328 nan 4.320 nan 0.000 0.220 239 A C 2.225 179.732 177.584 -0.128 0.000 1.170 239 A CA 2.992 54.829 52.037 -0.333 0.000 0.636 239 A CB -1.088 17.922 19.000 0.016 0.000 0.810 239 A HN 0.566 8.561 8.150 -0.070 0.113 0.448 240 A N -2.375 120.443 122.820 -0.003 0.000 2.014 240 A HA -0.156 nan 4.320 nan 0.000 0.218 240 A C 1.286 178.881 177.584 0.018 0.000 1.163 240 A CA 2.207 54.275 52.037 0.051 0.000 0.652 240 A CB -0.412 18.628 19.000 0.067 0.000 0.808 240 A HN -0.215 7.818 8.150 0.009 0.122 0.449 241 Q N -2.366 117.420 119.800 -0.023 0.000 2.444 241 Q HA -0.015 nan 4.340 nan 0.000 0.206 241 Q C -0.013 175.989 176.000 0.004 0.000 0.948 241 Q CA -0.589 55.208 55.803 -0.009 0.000 0.946 241 Q CB 0.188 28.917 28.738 -0.016 0.000 1.027 241 Q HN -0.261 7.833 8.270 -0.052 0.145 0.513 242 G N -1.127 107.655 108.800 -0.031 0.000 2.136 242 G HA2 -0.438 nan 3.960 nan 0.000 0.242 242 G HA3 -0.438 nan 3.960 nan 0.000 0.242 242 G C -1.027 173.873 174.900 0.001 0.000 0.989 242 G CA -0.030 45.127 45.100 0.094 0.000 0.682 242 G HN -0.484 7.550 8.290 -0.093 0.200 0.522 243 K N 1.365 121.603 120.400 -0.270 0.000 2.293 243 K HA 0.205 nan 4.320 nan 0.000 0.267 243 K C -1.531 174.882 176.600 -0.311 0.000 1.010 243 K CA -1.185 55.039 56.287 -0.105 0.000 0.875 243 K CB 1.050 33.575 32.500 0.041 0.000 1.106 243 K HN -0.080 7.940 8.250 -0.326 0.035 0.450 244 F N -0.249 119.752 119.950 0.086 0.000 2.611 244 F HA 0.259 nan 4.527 nan 0.000 0.324 244 F C 0.239 175.667 175.800 -0.621 0.000 1.061 244 F CA -1.042 56.849 58.000 -0.181 0.000 0.954 244 F CB 2.533 41.477 39.000 -0.093 0.000 1.301 244 F HN -0.437 8.019 8.300 0.260 0.000 0.482 245 V N 0.110 119.551 119.914 -0.788 0.000 2.759 245 V HA -0.180 nan 4.120 nan 0.000 0.256 245 V C -0.968 175.015 176.094 -0.185 0.000 1.080 245 V CA 1.587 63.450 62.300 -0.728 0.000 1.101 245 V CB 0.173 31.665 31.823 -0.551 0.000 0.698 245 V HN 0.465 8.691 8.190 -0.578 -0.383 0.477 246 T N -4.708 109.805 114.554 -0.067 0.000 2.795 246 T HA 0.451 nan 4.350 nan 0.000 0.282 246 T C 0.074 174.769 174.700 -0.009 0.000 0.980 246 T CA -2.627 59.447 62.100 -0.043 0.000 1.012 246 T CB 1.391 70.238 68.868 -0.035 0.000 0.936 246 T HN -0.596 7.583 8.240 -0.034 0.040 0.457 247 T N 1.717 116.257 114.554 -0.025 0.000 2.793 247 T HA 0.211 nan 4.350 nan 0.000 0.299 247 T C 0.446 175.186 174.700 0.067 0.000 1.038 247 T CA -1.483 60.641 62.100 0.041 0.000 0.948 247 T CB 0.700 69.588 68.868 0.034 0.000 1.231 247 T HN 0.796 8.868 8.240 -0.092 0.113 0.538 248 E N -1.290 118.977 120.200 0.111 0.000 2.499 248 E HA 0.245 nan 4.350 nan 0.000 0.207 248 E C -0.985 175.693 176.600 0.131 0.000 1.034 248 E CA -0.863 55.605 56.400 0.115 0.000 1.098 248 E CB -0.749 29.029 29.700 0.130 0.000 1.148 248 E HN 0.391 8.822 8.360 0.119 0.000 0.447 249 F N 1.504 121.438 119.950 -0.028 0.000 2.171 249 F HA -0.296 nan 4.527 nan 0.000 0.300 249 F C -0.493 175.292 175.800 -0.026 0.000 1.090 249 F CA 2.049 60.029 58.000 -0.034 0.000 1.293 249 F CB 1.180 40.139 39.000 -0.070 0.000 1.013 249 F HN -0.397 7.952 8.300 0.233 0.090 0.486 250 E N -4.753 115.374 120.200 -0.121 0.000 2.423 250 E HA 0.212 nan 4.350 nan 0.000 0.280 250 E C -2.902 173.657 176.600 -0.067 0.000 1.030 250 E CA -3.131 53.139 56.400 -0.217 0.000 0.812 250 E CB 0.678 30.192 29.700 -0.311 0.000 1.313 250 E HN -0.482 7.909 8.360 0.051 0.000 0.456 251 P HA 0.099 nan 4.420 nan 0.000 0.271 251 P C -1.569 175.714 177.300 -0.029 0.000 1.216 251 P CA -0.050 63.053 63.100 0.005 0.000 0.776 251 P CB 0.436 32.124 31.700 -0.020 0.000 0.881 252 C N -0.134 119.202 119.300 0.061 0.000 3.171 252 C HA 0.608 nan 4.460 nan 0.000 0.336 252 C C -2.440 172.667 174.990 0.196 0.000 1.198 252 C CA -2.423 56.595 59.018 -0.000 0.000 1.319 252 C CB 3.088 30.819 27.740 -0.015 0.000 1.682 252 C HN -0.136 8.184 8.230 0.149 0.000 0.497 253 F N -3.005 116.945 119.950 -0.000 0.000 2.793 253 F HA 0.425 nan 4.527 nan 0.000 0.316 253 F C -3.456 172.387 175.800 0.072 0.000 1.147 253 F CA -0.644 57.402 58.000 0.076 0.000 0.930 253 F CB 1.185 40.312 39.000 0.212 0.000 1.277 253 F HN -0.293 7.859 8.300 -0.247 0.000 0.443 254 D N 0.856 121.510 120.400 0.424 0.000 2.256 254 D HA 0.466 nan 4.640 nan 0.000 0.246 254 D C 0.629 177.236 176.300 0.512 0.000 1.042 254 D CA -1.685 52.483 54.000 0.279 0.000 0.841 254 D CB 2.227 43.185 40.800 0.264 0.000 1.223 254 D HN 0.029 8.688 8.370 0.481 0.000 0.470 255 A N 4.393 127.411 122.820 0.330 0.000 2.019 255 A HA -0.184 nan 4.320 nan 0.000 0.219 255 A C 1.070 178.866 177.584 0.352 0.000 1.164 255 A CA 3.266 55.508 52.037 0.340 0.000 0.644 255 A CB -0.062 19.002 19.000 0.107 0.000 0.805 255 A HN 0.480 8.711 8.150 0.134 0.000 0.449 256 A N -3.468 119.451 122.820 0.165 0.000 2.216 256 A HA -0.162 nan 4.320 nan 0.000 0.214 256 A C 0.792 178.525 177.584 0.248 0.000 1.160 256 A CA 1.954 54.045 52.037 0.089 0.000 0.725 256 A CB -0.646 18.130 19.000 -0.372 0.000 0.784 256 A HN -0.035 8.123 8.150 0.067 0.032 0.472 257 D N -2.472 118.127 120.400 0.332 0.000 2.340 257 D HA 0.114 nan 4.640 nan 0.000 0.220 257 D C -1.142 175.103 176.300 -0.090 0.000 1.039 257 D CA 1.409 55.485 54.000 0.127 0.000 0.866 257 D CB 0.482 41.291 40.800 0.015 0.000 0.913 257 D HN -0.480 8.092 8.370 0.457 0.072 0.523 258 F N -2.384 117.666 119.950 0.166 0.000 2.508 258 F HA 0.455 nan 4.527 nan 0.000 0.325 258 F C -0.720 175.223 175.800 0.238 0.000 1.090 258 F CA -0.948 57.156 58.000 0.173 0.000 0.945 258 F CB 2.822 41.877 39.000 0.091 0.000 1.156 258 F HN -0.591 7.825 8.300 0.517 0.195 0.463 259 I N 2.638 123.486 120.570 0.463 0.000 2.569 259 I HA 0.338 nan 4.170 nan 0.000 0.290 259 I C -2.404 174.019 176.117 0.510 0.000 1.088 259 I CA -1.608 59.967 61.300 0.459 0.000 1.047 259 I CB 4.566 42.836 38.000 0.450 0.000 1.237 259 I HN 0.860 9.355 8.210 0.475 0.000 0.421 260 R N 7.822 128.568 120.500 0.411 0.000 2.368 260 R HA 0.678 nan 4.340 nan 0.000 0.302 260 R C -1.529 175.034 176.300 0.439 0.000 1.002 260 R CA -1.296 55.030 56.100 0.378 0.000 0.929 260 R CB 1.418 31.845 30.300 0.212 0.000 1.073 260 R HN 0.633 9.475 8.270 0.356 -0.359 0.464 261 A N 2.805 125.965 122.820 0.568 0.000 3.365 261 A HA 0.343 nan 4.320 nan 0.000 0.258 261 A C -0.471 177.574 177.584 0.767 0.000 0.964 261 A CA -1.051 51.449 52.037 0.772 0.000 0.988 261 A CB 0.248 19.921 19.000 1.122 0.000 1.193 261 A HN 0.176 8.649 8.150 0.538 0.000 0.508 262 G N 3.323 112.449 108.800 0.543 0.000 2.557 262 G HA2 -0.461 nan 3.960 nan 0.000 0.292 262 G HA3 -0.461 nan 3.960 nan 0.000 0.292 262 G C 0.158 175.302 174.900 0.406 0.000 1.162 262 G CA 0.795 46.170 45.100 0.459 0.000 0.964 262 G HN 0.269 8.782 8.290 0.372 0.000 0.541 263 R N 2.762 123.386 120.500 0.207 0.000 2.280 263 R HA -0.052 nan 4.340 nan 0.000 0.207 263 R C -0.986 175.455 176.300 0.236 0.000 1.043 263 R CA 1.681 57.840 56.100 0.098 0.000 1.006 263 R CB 0.666 30.929 30.300 -0.062 0.000 0.885 263 R HN -0.130 8.213 8.270 0.122 0.000 0.467 264 D N -1.534 119.065 120.400 0.331 0.000 2.391 264 D HA 0.555 nan 4.640 nan 0.000 0.245 264 D C -1.840 174.552 176.300 0.154 0.000 1.069 264 D CA -0.000 54.151 54.000 0.253 0.000 0.831 264 D CB 2.831 43.791 40.800 0.266 0.000 1.204 264 D HN -0.793 7.764 8.370 0.409 0.058 0.503 265 I N 1.143 121.711 120.570 -0.002 0.000 2.474 265 I HA 0.708 nan 4.170 nan 0.000 0.294 265 I C -1.604 174.401 176.117 -0.187 0.000 1.005 265 I CA -1.030 60.311 61.300 0.069 0.000 1.113 265 I CB 3.350 41.459 38.000 0.182 0.000 1.289 265 I HN 0.833 9.050 8.210 0.012 0.000 0.436 266 F N 5.007 125.194 119.950 0.395 0.000 2.469 266 F HA 0.808 nan 4.527 nan 0.000 0.332 266 F C -1.631 174.244 175.800 0.126 0.000 1.103 266 F CA -1.908 56.270 58.000 0.297 0.000 0.979 266 F CB 2.525 41.724 39.000 0.332 0.000 1.137 266 F HN 0.691 9.308 8.300 0.529 0.000 0.463 267 A N 2.064 124.937 122.820 0.089 0.000 2.469 267 A HA 0.989 nan 4.320 nan 0.000 0.299 267 A C -2.804 174.700 177.584 -0.132 0.000 1.098 267 A CA -1.629 50.238 52.037 -0.284 0.000 0.737 267 A CB 3.820 22.388 19.000 -0.720 0.000 1.312 267 A HN 1.114 9.357 8.150 0.154 0.000 0.414 268 Q N -1.097 118.592 119.800 -0.185 0.000 2.347 268 Q HA 0.473 nan 4.340 nan 0.000 0.271 268 Q C -1.407 174.471 176.000 -0.203 0.000 1.064 268 Q CA -1.621 54.140 55.803 -0.071 0.000 0.800 268 Q CB 3.291 32.116 28.738 0.145 0.000 1.304 268 Q HN -0.103 7.975 8.270 -0.319 0.000 0.438 269 R N 5.753 126.088 120.500 -0.275 0.000 2.347 269 R HA 0.067 nan 4.340 nan 0.000 0.304 269 R C -0.871 175.118 176.300 -0.518 0.000 1.072 269 R CA -0.067 55.694 56.100 -0.564 0.000 0.980 269 R CB -0.284 29.448 30.300 -0.946 0.000 0.986 269 R HN 0.467 8.631 8.270 -0.177 0.000 0.448 270 S N 4.694 120.090 115.700 -0.507 0.000 2.851 270 S HA 0.409 nan 4.470 nan 0.000 0.317 270 S C 0.676 175.060 174.600 -0.359 0.000 1.144 270 S CA -1.191 56.822 58.200 -0.312 0.000 0.862 270 S CB 3.017 66.179 63.200 -0.062 0.000 1.259 270 S HN 0.226 8.262 8.310 -0.457 0.000 0.564 271 Q N -1.382 118.425 119.800 0.012 0.000 2.226 271 Q HA -0.042 nan 4.340 nan 0.000 0.204 271 Q C 1.624 177.648 176.000 0.039 0.000 0.975 271 Q CA 2.557 58.421 55.803 0.102 0.000 0.866 271 Q CB 0.245 29.085 28.738 0.169 0.000 0.915 271 Q HN 0.296 8.629 8.270 0.106 0.000 0.440 272 V N -10.765 109.167 119.914 0.030 0.000 3.605 272 V HA 0.272 nan 4.120 nan 0.000 0.284 272 V C -0.026 176.104 176.094 0.059 0.000 1.386 272 V CA -0.750 61.599 62.300 0.081 0.000 1.053 272 V CB 0.355 32.236 31.823 0.096 0.000 0.857 272 V HN -0.811 7.348 8.190 0.003 0.032 0.436 273 T N 5.190 119.733 114.554 -0.018 0.000 2.864 273 T HA 0.295 nan 4.350 nan 0.000 0.310 273 T C -1.493 173.099 174.700 -0.178 0.000 1.040 273 T CA -0.190 61.921 62.100 0.017 0.000 0.977 273 T CB 0.402 69.294 68.868 0.041 0.000 0.976 273 T HN -0.710 7.359 8.240 -0.102 0.110 0.459 274 N N 6.202 124.841 118.700 -0.102 0.000 2.447 274 N HA 0.457 nan 4.740 nan 0.000 0.271 274 N C 0.641 176.057 175.510 -0.156 0.000 1.226 274 N CA -1.750 51.176 53.050 -0.207 0.000 0.980 274 N CB 1.690 40.134 38.487 -0.071 0.000 1.206 274 N HN -0.320 8.076 8.380 0.027 0.000 0.558 275 Y N -2.339 117.956 120.300 -0.010 0.000 2.274 275 Y HA -0.259 nan 4.550 nan 0.000 0.290 275 Y C 2.272 178.203 175.900 0.052 0.000 1.145 275 Y CA 3.846 61.953 58.100 0.013 0.000 1.203 275 Y CB -0.015 38.453 38.460 0.013 0.000 0.984 275 Y HN 0.081 8.610 8.280 -0.123 -0.323 0.533 276 L N -1.543 119.805 121.223 0.208 0.000 2.093 276 L HA -0.343 nan 4.340 nan 0.000 0.208 276 L C 2.293 179.295 176.870 0.221 0.000 1.085 276 L CA 2.899 57.846 54.840 0.177 0.000 0.755 276 L CB -0.602 41.529 42.059 0.121 0.000 0.904 276 L HN -0.296 8.245 8.230 0.181 -0.203 0.435 277 G N -1.020 107.914 108.800 0.224 0.000 2.404 277 G HA2 -0.312 nan 3.960 nan 0.000 0.215 277 G HA3 -0.312 nan 3.960 nan 0.000 0.215 277 G C 1.378 176.409 174.900 0.219 0.000 1.174 277 G CA 1.903 47.216 45.100 0.354 0.000 0.780 277 G HN -0.805 7.486 8.290 0.168 0.100 0.537 278 I N 1.648 122.311 120.570 0.154 0.000 2.226 278 I HA -0.527 nan 4.170 nan 0.000 0.245 278 I C 1.410 177.619 176.117 0.153 0.000 1.100 278 I CA 3.804 65.195 61.300 0.150 0.000 1.374 278 I CB -0.064 37.983 38.000 0.079 0.000 1.057 278 I HN -0.103 8.184 8.210 0.129 0.000 0.413 279 E N 0.326 120.624 120.200 0.165 0.000 2.110 279 E HA -0.312 nan 4.350 nan 0.000 0.193 279 E C 1.716 178.384 176.600 0.114 0.000 0.988 279 E CA 2.901 59.372 56.400 0.119 0.000 0.804 279 E CB -0.651 29.119 29.700 0.117 0.000 0.745 279 E HN -0.101 8.372 8.360 0.188 0.000 0.458 280 W N 0.539 121.865 121.300 0.044 0.000 2.355 280 W HA -0.347 nan 4.660 nan 0.000 0.309 280 W C 2.062 178.603 176.519 0.037 0.000 1.206 280 W CA 4.117 61.492 57.345 0.050 0.000 1.284 280 W CB 0.079 29.592 29.460 0.088 0.000 1.145 280 W HN -0.245 8.140 8.180 0.357 0.010 0.502 281 M N -1.773 117.918 119.600 0.151 0.000 2.080 281 M HA -0.499 nan 4.480 nan 0.000 0.260 281 M C 2.407 178.640 176.300 -0.112 0.000 1.068 281 M CA 2.764 58.032 55.300 -0.054 0.000 1.109 281 M CB -1.146 31.351 32.600 -0.173 0.000 1.342 281 M HN -0.560 7.890 8.290 0.266 0.000 0.405 282 R N -1.128 119.345 120.500 -0.046 0.000 2.083 282 R HA -0.414 nan 4.340 nan 0.000 0.237 282 R C 2.224 178.453 176.300 -0.119 0.000 1.137 282 R CA 3.890 59.953 56.100 -0.061 0.000 0.951 282 R CB -0.051 30.229 30.300 -0.033 0.000 0.851 282 R HN 0.175 8.455 8.270 0.016 0.000 0.434 283 R N -2.665 117.740 120.500 -0.158 0.000 2.092 283 R HA -0.222 nan 4.340 nan 0.000 0.231 283 R C 2.082 178.217 176.300 -0.275 0.000 1.119 283 R CA 2.765 58.749 56.100 -0.193 0.000 0.970 283 R CB -0.117 30.075 30.300 -0.180 0.000 0.864 283 R HN 0.110 8.185 8.270 -0.138 0.112 0.440 284 H N -0.842 117.900 119.070 -0.547 0.000 2.423 284 H HA -0.187 nan 4.556 nan 0.000 0.297 284 H C 0.682 175.822 175.328 -0.312 0.000 1.075 284 H CA 2.983 58.670 56.048 -0.602 0.000 1.342 284 H CB 0.497 29.550 29.762 -1.180 0.000 1.395 284 H HN -0.193 7.705 8.280 -0.463 0.104 0.530 285 L N -4.501 116.550 121.223 -0.285 0.000 2.513 285 L HA 0.041 nan 4.340 nan 0.000 0.222 285 L C -0.438 176.412 176.870 -0.034 0.000 1.096 285 L CA -0.112 54.638 54.840 -0.149 0.000 0.857 285 L CB 0.543 42.581 42.059 -0.035 0.000 1.026 285 L HN -0.407 7.702 8.230 -0.203 0.000 0.469 286 A N 0.910 123.677 122.820 -0.088 0.000 2.466 286 A HA -0.011 nan 4.320 nan 0.000 0.238 286 A C -1.493 176.040 177.584 -0.086 0.000 1.074 286 A CA -0.029 51.964 52.037 -0.073 0.000 0.774 286 A CB -0.987 17.958 19.000 -0.091 0.000 1.015 286 A HN -0.567 7.506 8.150 -0.129 0.000 0.498 287 P HA 0.106 nan 4.420 nan 0.000 0.239 287 P C 0.294 177.533 177.300 -0.101 0.000 1.188 287 P CA 0.574 63.627 63.100 -0.079 0.000 0.794 287 P CB 0.962 32.616 31.700 -0.077 0.000 0.937 288 D N -1.131 119.197 120.400 -0.120 0.000 2.149 288 D HA -0.214 nan 4.640 nan 0.000 0.198 288 D C 0.144 176.145 176.300 -0.498 0.000 0.990 288 D CA 3.075 56.898 54.000 -0.295 0.000 0.839 288 D CB 0.392 41.007 40.800 -0.308 0.000 0.948 288 D HN 0.286 8.610 8.370 -0.077 0.000 0.460 289 Y N -2.628 117.644 120.300 -0.047 0.000 2.509 289 Y HA 0.354 nan 4.550 nan 0.000 0.341 289 Y C -0.809 175.046 175.900 -0.075 0.000 1.038 289 Y CA -0.966 57.116 58.100 -0.031 0.000 1.089 289 Y CB 2.878 41.333 38.460 -0.008 0.000 1.241 289 Y HN -0.709 7.618 8.280 0.100 0.013 0.468 290 R N 0.869 121.404 120.500 0.057 0.000 2.439 290 R HA 0.404 nan 4.340 nan 0.000 0.310 290 R C -2.051 174.091 176.300 -0.262 0.000 0.955 290 R CA -1.058 54.951 56.100 -0.151 0.000 0.853 290 R CB 2.465 32.643 30.300 -0.204 0.000 1.171 290 R HN 0.660 9.011 8.270 0.135 0.000 0.449 291 V N 3.957 123.703 119.914 -0.280 0.000 2.370 291 V HA 0.382 nan 4.120 nan 0.000 0.279 291 V C -0.641 175.245 176.094 -0.346 0.000 1.029 291 V CA -0.904 61.280 62.300 -0.192 0.000 0.870 291 V CB 0.090 31.907 31.823 -0.010 0.000 0.984 291 V HN 0.389 8.440 8.190 -0.231 0.000 0.451 292 H N 6.440 125.427 119.070 -0.138 0.000 2.499 292 H HA 0.364 nan 4.556 nan 0.000 0.340 292 H C -1.120 174.217 175.328 0.016 0.000 1.148 292 H CA -1.765 54.241 56.048 -0.070 0.000 1.215 292 H CB 3.285 32.993 29.762 -0.091 0.000 1.529 292 H HN 0.875 9.094 8.280 -0.103 0.000 0.510 293 I N 2.611 123.268 120.570 0.145 0.000 2.354 293 I HA 0.527 nan 4.170 nan 0.000 0.292 293 I C -0.557 175.609 176.117 0.081 0.000 0.989 293 I CA -0.559 60.801 61.300 0.099 0.000 1.188 293 I CB 0.999 39.071 38.000 0.119 0.000 1.342 293 I HN 0.244 8.533 8.210 0.131 0.000 0.457 294 I N 2.979 123.556 120.570 0.012 0.000 2.957 294 I HA 0.741 nan 4.170 nan 0.000 0.310 294 I C -2.455 173.473 176.117 -0.314 0.000 1.063 294 I CA -2.214 58.987 61.300 -0.164 0.000 1.033 294 I CB 3.149 40.985 38.000 -0.274 0.000 1.230 294 I HN 0.875 9.097 8.210 0.020 0.000 0.447 295 S N -1.136 114.279 115.700 -0.475 0.000 2.627 295 S HA 0.448 nan 4.470 nan 0.000 0.283 295 S C -1.470 172.603 174.600 -0.878 0.000 1.127 295 S CA -1.566 56.414 58.200 -0.366 0.000 0.863 295 S CB 2.916 66.230 63.200 0.190 0.000 1.121 295 S HN 0.134 8.312 8.310 -0.439 -0.132 0.479 296 F N -2.378 117.455 119.950 -0.195 0.000 2.629 296 F HA 0.561 nan 4.527 nan 0.000 0.316 296 F C -1.069 174.507 175.800 -0.375 0.000 1.081 296 F CA -1.201 56.542 58.000 -0.427 0.000 0.954 296 F CB 4.424 43.310 39.000 -0.191 0.000 1.337 296 F HN -0.085 8.267 8.300 0.086 0.000 0.474 297 K N 1.330 121.645 120.400 -0.141 0.000 2.249 297 K HA -0.084 nan 4.320 nan 0.000 0.280 297 K C -0.257 176.337 176.600 -0.011 0.000 1.033 297 K CA -0.152 56.129 56.287 -0.010 0.000 0.946 297 K CB 0.874 33.368 32.500 -0.010 0.000 1.005 297 K HN 0.365 8.532 8.250 -0.139 0.000 0.469 298 D N 0.520 120.884 120.400 -0.059 0.000 2.740 298 D HA -0.220 nan 4.640 nan 0.000 0.231 298 D C -2.067 174.214 176.300 -0.032 0.000 1.194 298 D CA 0.326 54.139 54.000 -0.311 0.000 0.673 298 D CB -1.433 38.999 40.800 -0.614 0.000 0.995 298 D HN 0.232 8.603 8.370 0.002 0.000 0.411 299 P HA -0.096 nan 4.420 nan 0.000 0.272 299 P C -1.157 176.263 177.300 0.200 0.000 1.240 299 P CA -0.622 62.579 63.100 0.169 0.000 0.791 299 P CB 0.798 32.663 31.700 0.274 0.000 0.978 300 N N 0.351 119.122 118.700 0.119 0.000 2.520 300 N HA 0.042 nan 4.740 nan 0.000 0.273 300 N C 0.253 175.846 175.510 0.138 0.000 1.155 300 N CA -1.676 51.456 53.050 0.137 0.000 0.967 300 N CB 0.977 39.523 38.487 0.099 0.000 1.092 300 N HN 0.142 8.541 8.380 0.032 0.000 0.457 301 P HA -0.139 nan 4.420 nan 0.000 0.218 301 P C -1.595 175.749 177.300 0.073 0.000 1.146 301 P CA 1.754 64.936 63.100 0.137 0.000 0.813 301 P CB 0.423 32.202 31.700 0.132 0.000 0.778 302 M N -5.951 113.633 119.600 -0.027 0.000 2.365 302 M HA 0.161 nan 4.480 nan 0.000 0.288 302 M C -2.320 173.830 176.300 -0.251 0.000 1.152 302 M CA 0.203 55.379 55.300 -0.206 0.000 0.948 302 M CB 3.849 36.184 32.600 -0.441 0.000 1.729 302 M HN -0.811 7.624 8.290 -0.002 -0.147 0.487 303 H N -2.245 116.865 119.070 0.066 0.000 4.804 303 H HA -0.200 nan 4.556 nan 0.000 0.302 303 H C -1.106 174.260 175.328 0.063 0.000 0.637 303 H CA 0.023 56.117 56.048 0.077 0.000 0.781 303 H CB -0.619 29.192 29.762 0.081 0.000 1.072 303 H HN 0.033 8.733 8.280 0.107 -0.356 0.325 304 I N 1.550 122.246 120.570 0.211 0.000 3.854 304 I HA 0.057 nan 4.170 nan 0.000 0.312 304 I C -0.147 176.027 176.117 0.095 0.000 1.273 304 I CA -0.170 61.199 61.300 0.114 0.000 1.298 304 I CB 1.885 39.991 38.000 0.177 0.000 1.071 304 I HN 0.465 8.824 8.210 0.249 0.000 0.428 305 D N 1.295 121.783 120.400 0.147 0.000 2.392 305 D HA -0.218 nan 4.640 nan 0.000 0.228 305 D C -0.868 175.466 176.300 0.058 0.000 1.003 305 D CA 1.342 55.393 54.000 0.085 0.000 0.917 305 D CB -1.049 39.839 40.800 0.147 0.000 0.890 305 D HN -0.369 8.121 8.370 0.201 0.000 0.532 306 A N -4.838 118.023 122.820 0.067 0.000 2.616 306 A HA 0.282 nan 4.320 nan 0.000 0.294 306 A C -0.612 176.937 177.584 -0.058 0.000 1.091 306 A CA -0.293 51.788 52.037 0.073 0.000 0.971 306 A CB 0.834 19.939 19.000 0.174 0.000 1.222 306 A HN -0.256 7.866 8.150 0.068 0.069 0.521 307 T N -0.130 114.340 114.554 -0.140 0.000 3.105 307 T HA 0.272 nan 4.350 nan 0.000 0.257 307 T C -1.274 173.299 174.700 -0.211 0.000 0.949 307 T CA 1.629 63.528 62.100 -0.336 0.000 0.959 307 T CB 3.017 71.511 68.868 -0.624 0.000 1.205 307 T HN -0.236 7.883 8.240 -0.074 0.077 0.496 308 F N 2.362 122.146 119.950 -0.276 0.000 3.050 308 F HA 0.311 nan 4.527 nan 0.000 0.382 308 F C -2.807 172.945 175.800 -0.081 0.000 1.246 308 F CA -0.599 57.313 58.000 -0.146 0.000 1.217 308 F CB 1.869 40.865 39.000 -0.006 0.000 1.795 308 F HN -0.202 8.096 8.300 -0.004 0.000 0.622 309 N N 6.361 124.964 118.700 -0.162 0.000 2.439 309 N HA 0.272 nan 4.740 nan 0.000 0.249 309 N C -0.982 174.401 175.510 -0.212 0.000 1.003 309 N CA -1.331 51.630 53.050 -0.148 0.000 0.942 309 N CB 1.943 40.365 38.487 -0.109 0.000 1.115 309 N HN -0.027 8.237 8.380 -0.192 0.000 0.505 310 I N 6.178 126.674 120.570 -0.123 0.000 2.436 310 I HA -0.122 nan 4.170 nan 0.000 0.289 310 I C -0.247 175.861 176.117 -0.015 0.000 1.083 310 I CA 1.061 62.290 61.300 -0.119 0.000 1.372 310 I CB -0.131 37.948 38.000 0.132 0.000 1.408 310 I HN 0.453 8.654 8.210 -0.015 0.000 0.516 311 I N 0.468 120.934 120.570 -0.174 0.000 4.018 311 I HA 0.258 nan 4.170 nan 0.000 0.337 311 I C -0.894 175.045 176.117 -0.297 0.000 1.327 311 I CA -1.088 60.154 61.300 -0.096 0.000 1.100 311 I CB 1.123 39.102 38.000 -0.035 0.000 1.025 311 I HN 0.091 8.121 8.210 -0.300 0.000 0.396 312 G N -1.195 107.082 108.800 -0.870 0.000 2.441 312 G HA2 0.256 nan 3.960 nan 0.000 0.294 312 G HA3 0.256 nan 3.960 nan 0.000 0.294 312 G C -3.518 170.030 174.900 -2.253 0.000 1.393 312 G CA -0.304 43.850 45.100 -1.577 0.000 0.796 312 G HN -0.867 6.890 8.290 -0.890 0.000 0.494 313 P HA -0.074 nan 4.420 nan 0.000 0.263 313 P C -0.473 176.202 177.300 -1.041 0.000 1.276 313 P CA 0.139 62.394 63.100 -1.409 0.000 0.986 313 P CB -0.906 30.364 31.700 -0.717 0.000 1.105 314 G N 3.540 111.493 108.800 -1.411 0.000 2.132 314 G HA2 -0.348 nan 3.960 nan 0.000 0.234 314 G HA3 -0.348 nan 3.960 nan 0.000 0.234 314 G C -1.558 172.636 174.900 -1.177 0.000 0.989 314 G CA 0.123 44.189 45.100 -1.724 0.000 0.676 314 G HN 0.003 7.334 8.290 -1.597 0.000 0.522 315 I N -1.118 118.828 120.570 -1.039 0.000 2.533 315 I HA 0.761 nan 4.170 nan 0.000 0.290 315 I C -2.356 173.420 176.117 -0.569 0.000 1.056 315 I CA -0.610 60.318 61.300 -0.619 0.000 1.057 315 I CB 2.817 40.525 38.000 -0.486 0.000 1.240 315 I HN -0.599 6.835 8.210 -1.240 0.032 0.423 316 V N 6.553 126.211 119.914 -0.428 0.000 2.971 316 V HA 0.722 nan 4.120 nan 0.000 0.309 316 V C -2.523 173.338 176.094 -0.389 0.000 1.130 316 V CA -2.244 59.757 62.300 -0.497 0.000 0.964 316 V CB 4.619 35.955 31.823 -0.812 0.000 1.029 316 V HN 0.434 8.424 8.190 -0.333 0.000 0.427 317 L N 7.217 128.231 121.223 -0.348 0.000 2.260 317 L HA 0.636 nan 4.340 nan 0.000 0.289 317 L C -1.591 175.121 176.870 -0.264 0.000 1.057 317 L CA -1.185 53.514 54.840 -0.235 0.000 0.811 317 L CB 0.138 42.121 42.059 -0.126 0.000 1.184 317 L HN 0.665 8.569 8.230 -0.362 0.109 0.429 318 S N 4.901 120.480 115.700 -0.201 0.000 2.438 318 S HA 0.124 nan 4.470 nan 0.000 0.316 318 S C -1.094 173.393 174.600 -0.189 0.000 1.084 318 S CA -2.040 56.089 58.200 -0.117 0.000 1.107 318 S CB 0.711 63.901 63.200 -0.017 0.000 0.981 318 S HN 0.581 8.784 8.310 -0.178 0.000 0.466 319 N N 9.436 127.960 118.700 -0.294 0.000 2.411 319 N HA -0.009 nan 4.740 nan 0.000 0.265 319 N C 0.142 175.385 175.510 -0.445 0.000 1.266 319 N CA -1.133 51.564 53.050 -0.588 0.000 0.889 319 N CB 0.785 38.843 38.487 -0.716 0.000 1.069 319 N HN 0.031 8.266 8.380 -0.241 0.000 0.476 320 P HA -0.119 nan 4.420 nan 0.000 0.218 320 P C -0.662 176.556 177.300 -0.137 0.000 1.148 320 P CA 2.051 65.044 63.100 -0.179 0.000 0.822 320 P CB -0.182 31.487 31.700 -0.053 0.000 0.784 321 D N -3.582 116.687 120.400 -0.218 0.000 2.323 321 D HA -0.010 nan 4.640 nan 0.000 0.209 321 D C -0.254 175.973 176.300 -0.121 0.000 0.973 321 D CA 1.012 54.958 54.000 -0.089 0.000 0.874 321 D CB -0.388 40.428 40.800 0.028 0.000 0.930 321 D HN 0.276 8.346 8.370 -0.460 0.024 0.521 322 R N -0.966 119.419 120.500 -0.192 0.000 2.835 322 R HA 0.382 nan 4.340 nan 0.000 0.290 322 R C -2.883 173.403 176.300 -0.024 0.000 1.410 322 R CA -2.546 53.476 56.100 -0.129 0.000 1.590 322 R CB 0.555 30.713 30.300 -0.238 0.000 1.288 322 R HN -0.707 7.232 8.270 -0.284 0.161 0.637 323 P HA -0.112 nan 4.420 nan 0.000 0.266 323 P C -1.380 175.951 177.300 0.053 0.000 1.195 323 P CA -0.393 62.729 63.100 0.037 0.000 0.768 323 P CB 0.706 32.410 31.700 0.006 0.000 0.838 324 C N 4.047 123.407 119.300 0.099 0.000 2.499 324 C HA 0.195 nan 4.460 nan 0.000 0.386 324 C C 1.968 176.854 174.990 -0.172 0.000 1.293 324 C CA -1.280 57.650 59.018 -0.148 0.000 1.884 324 C CB 0.020 27.680 27.740 -0.134 0.000 2.509 324 C HN 0.623 8.940 8.230 0.145 0.000 0.566 325 H N 7.788 126.766 119.070 -0.154 0.000 2.421 325 H HA -0.318 nan 4.556 nan 0.000 0.298 325 H C 1.191 176.472 175.328 -0.078 0.000 1.087 325 H CA 2.541 58.535 56.048 -0.089 0.000 1.330 325 H CB 0.074 29.778 29.762 -0.096 0.000 1.388 325 H HN 0.765 8.553 8.280 -0.639 0.109 0.526 326 Q N -2.884 116.913 119.800 -0.005 0.000 2.211 326 Q HA 0.125 nan 4.340 nan 0.000 0.231 326 Q C 0.558 176.587 176.000 0.049 0.000 0.865 326 Q CA -1.059 54.727 55.803 -0.028 0.000 0.997 326 Q CB -1.008 27.668 28.738 -0.103 0.000 1.101 326 Q HN -0.570 7.605 8.270 -0.110 0.028 0.468 327 I N 1.562 122.209 120.570 0.129 0.000 2.335 327 I HA -0.508 nan 4.170 nan 0.000 0.251 327 I C 0.323 176.561 176.117 0.201 0.000 1.129 327 I CA 2.536 63.998 61.300 0.270 0.000 1.402 327 I CB 0.214 38.320 38.000 0.177 0.000 1.069 327 I HN -0.590 7.585 8.210 0.077 0.081 0.424 328 D N -0.861 119.575 120.400 0.061 0.000 2.218 328 D HA -0.277 nan 4.640 nan 0.000 0.204 328 D C 1.975 178.224 176.300 -0.085 0.000 0.976 328 D CA 4.256 58.260 54.000 0.007 0.000 0.853 328 D CB -0.257 40.539 40.800 -0.006 0.000 0.939 328 D HN 0.163 8.543 8.370 0.046 0.018 0.481 329 L N -0.195 120.891 121.223 -0.229 0.000 2.083 329 L HA -0.286 nan 4.340 nan 0.000 0.209 329 L C 0.948 177.501 176.870 -0.527 0.000 1.083 329 L CA 3.145 57.720 54.840 -0.441 0.000 0.752 329 L CB -0.234 41.401 42.059 -0.706 0.000 0.899 329 L HN -0.493 7.487 8.230 -0.205 0.127 0.433 330 F N -2.549 117.265 119.950 -0.228 0.000 2.234 330 F HA -0.294 nan 4.527 nan 0.000 0.296 330 F C 1.926 177.664 175.800 -0.103 0.000 1.089 330 F CA 3.690 61.496 58.000 -0.324 0.000 1.343 330 F CB -0.626 38.247 39.000 -0.211 0.000 1.040 330 F HN -0.637 7.390 8.300 -0.275 0.108 0.498 331 K N -0.652 119.838 120.400 0.149 0.000 2.057 331 K HA -0.351 nan 4.320 nan 0.000 0.207 331 K C 2.888 179.531 176.600 0.071 0.000 1.049 331 K CA 3.437 59.798 56.287 0.123 0.000 0.931 331 K CB -0.463 32.093 32.500 0.092 0.000 0.714 331 K HN -0.183 8.087 8.250 0.151 0.070 0.440 332 K N -0.724 119.680 120.400 0.007 0.000 2.209 332 K HA -0.227 nan 4.320 nan 0.000 0.204 332 K C 1.531 178.134 176.600 0.005 0.000 1.048 332 K CA 2.456 58.738 56.287 -0.009 0.000 0.940 332 K CB -0.295 32.173 32.500 -0.052 0.000 0.729 332 K HN -0.042 8.194 8.250 -0.022 0.000 0.451 333 A N -4.212 118.597 122.820 -0.019 0.000 2.208 333 A HA 0.079 nan 4.320 nan 0.000 0.209 333 A C 0.177 177.905 177.584 0.240 0.000 1.161 333 A CA -0.231 51.831 52.037 0.041 0.000 0.782 333 A CB -0.075 18.825 19.000 -0.166 0.000 0.816 333 A HN -0.539 7.427 8.150 -0.074 0.139 0.477 334 G N -2.227 106.710 108.800 0.228 0.000 2.149 334 G HA2 -0.260 nan 3.960 nan 0.000 0.235 334 G HA3 -0.260 nan 3.960 nan 0.000 0.235 334 G C -0.336 174.776 174.900 0.354 0.000 1.018 334 G CA -0.184 45.060 45.100 0.240 0.000 0.728 334 G HN -0.513 7.679 8.290 0.159 0.193 0.508 335 W N -0.313 121.025 121.300 0.063 0.000 2.316 335 W HA 0.180 nan 4.660 nan 0.000 0.321 335 W C 0.302 176.812 176.519 -0.015 0.000 1.203 335 W CA -1.831 55.531 57.345 0.028 0.000 1.214 335 W CB 0.264 29.773 29.460 0.082 0.000 1.169 335 W HN -0.466 8.012 8.180 0.497 0.000 0.561 336 T N 6.296 120.883 114.554 0.055 0.000 2.723 336 T HA 0.147 nan 4.350 nan 0.000 0.297 336 T C -1.174 173.501 174.700 -0.042 0.000 0.925 336 T CA 0.561 62.652 62.100 -0.015 0.000 1.030 336 T CB -0.086 68.724 68.868 -0.096 0.000 0.905 336 T HN 0.938 9.127 8.240 -0.085 0.000 0.502 337 I N 7.748 128.314 120.570 -0.006 0.000 2.304 337 I HA 0.361 nan 4.170 nan 0.000 0.291 337 I C -0.821 175.252 176.117 -0.072 0.000 1.018 337 I CA -1.081 60.190 61.300 -0.048 0.000 1.260 337 I CB 0.559 38.567 38.000 0.013 0.000 1.390 337 I HN 0.306 8.533 8.210 0.028 0.000 0.475 338 I N 9.612 130.110 120.570 -0.121 0.000 2.359 338 I HA 0.250 nan 4.170 nan 0.000 0.294 338 I C -1.131 174.914 176.117 -0.120 0.000 0.987 338 I CA -1.787 59.441 61.300 -0.121 0.000 1.225 338 I CB 1.253 39.158 38.000 -0.158 0.000 1.366 338 I HN 0.783 8.897 8.210 -0.161 0.000 0.466 339 T N 3.543 118.042 114.554 -0.092 0.000 2.770 339 T HA 0.495 nan 4.350 nan 0.000 0.297 339 T C -1.729 172.933 174.700 -0.062 0.000 0.997 339 T CA -3.837 58.214 62.100 -0.081 0.000 0.949 339 T CB 0.575 69.411 68.868 -0.054 0.000 0.941 339 T HN 0.298 8.492 8.240 -0.078 0.000 0.457 340 P HA 0.344 nan 4.420 nan 0.000 0.270 340 P C -2.378 174.993 177.300 0.119 0.000 1.223 340 P CA -1.567 61.533 63.100 -0.001 0.000 0.785 340 P CB -0.673 31.066 31.700 0.065 0.000 0.923 341 P HA 0.077 nan 4.420 nan 0.000 0.274 341 P C -1.065 176.314 177.300 0.131 0.000 1.256 341 P CA -0.548 62.603 63.100 0.085 0.000 0.795 341 P CB 0.816 32.523 31.700 0.010 0.000 1.038 342 T N -4.127 110.455 114.554 0.047 0.000 2.900 342 T HA 0.054 nan 4.350 nan 0.000 0.307 342 T C -1.238 173.281 174.700 -0.302 0.000 1.065 342 T CA -1.933 60.056 62.100 -0.185 0.000 1.105 342 T CB -0.706 68.083 68.868 -0.131 0.000 0.979 342 T HN -0.212 8.057 8.240 0.049 0.000 0.544 343 P HA 0.137 nan 4.420 nan 0.000 0.272 343 P C -0.922 176.230 177.300 -0.246 0.000 1.230 343 P CA -0.642 62.232 63.100 -0.376 0.000 0.788 343 P CB 0.649 32.035 31.700 -0.524 0.000 0.949 344 I N -6.693 113.780 120.570 -0.162 0.000 4.081 344 I HA 0.257 nan 4.170 nan 0.000 0.333 344 I C 0.263 176.313 176.117 -0.113 0.000 1.413 344 I CA -1.272 59.956 61.300 -0.121 0.000 1.110 344 I CB 1.117 39.067 38.000 -0.084 0.000 1.082 344 I HN -0.083 8.569 8.210 -0.140 -0.526 0.402 345 I N 3.355 123.849 120.570 -0.127 0.000 2.752 345 I HA -0.008 nan 4.170 nan 0.000 0.289 345 I C -1.350 174.712 176.117 -0.092 0.000 1.197 345 I CA -1.545 59.686 61.300 -0.114 0.000 1.432 345 I CB 0.796 38.731 38.000 -0.107 0.000 1.359 345 I HN -0.690 7.475 8.210 -0.149 -0.044 0.571 346 P HA 0.085 nan 4.420 nan 0.000 0.268 346 P C -0.894 176.393 177.300 -0.021 0.000 1.204 346 P CA -0.284 62.790 63.100 -0.044 0.000 0.768 346 P CB 0.786 32.468 31.700 -0.031 0.000 0.842 347 D N 2.176 122.552 120.400 -0.039 0.000 2.310 347 D HA -0.262 nan 4.640 nan 0.000 0.212 347 D C 0.941 177.219 176.300 -0.036 0.000 0.965 347 D CA 2.688 56.659 54.000 -0.049 0.000 0.879 347 D CB -0.206 40.557 40.800 -0.061 0.000 0.921 347 D HN 0.399 8.742 8.370 -0.046 0.000 0.510 348 D N -6.130 114.262 120.400 -0.014 0.000 2.333 348 D HA -0.167 nan 4.640 nan 0.000 0.208 348 D C 0.215 176.519 176.300 0.006 0.000 0.984 348 D CA 0.556 54.549 54.000 -0.012 0.000 0.873 348 D CB -0.319 40.478 40.800 -0.005 0.000 0.935 348 D HN 0.025 8.343 8.370 -0.010 0.046 0.521 349 H N 3.664 122.689 119.070 -0.075 0.000 2.848 349 H HA 0.044 nan 4.556 nan 0.000 0.317 349 H C -1.614 173.630 175.328 -0.140 0.000 1.046 349 H CA -1.781 54.209 56.048 -0.095 0.000 1.470 349 H CB 0.970 30.672 29.762 -0.099 0.000 1.483 349 H HN -0.579 7.612 8.280 0.102 0.150 0.548 350 P HA 0.021 nan 4.420 nan 0.000 0.271 350 P C -2.035 174.615 177.300 -1.084 0.000 1.226 350 P CA 0.072 62.670 63.100 -0.836 0.000 0.765 350 P CB 0.762 31.834 31.700 -1.046 0.000 0.835 351 L N 2.994 123.759 121.223 -0.763 0.000 2.433 351 L HA 0.262 nan 4.340 nan 0.000 0.256 351 L C -0.312 176.115 176.870 -0.738 0.000 1.063 351 L CA -0.869 53.636 54.840 -0.558 0.000 0.922 351 L CB 0.454 42.401 42.059 -0.187 0.000 1.238 351 L HN -0.189 7.754 8.230 -0.478 0.000 0.466 352 W N 0.866 121.838 121.300 -0.547 0.000 2.350 352 W HA -0.256 nan 4.660 nan 0.000 0.289 352 W C -0.340 176.166 176.519 -0.023 0.000 1.215 352 W CA 2.092 59.123 57.345 -0.524 0.000 1.236 352 W CB 0.279 29.662 29.460 -0.127 0.000 1.130 352 W HN -0.371 7.287 8.180 -0.870 0.000 0.541 353 M N -5.794 113.967 119.600 0.270 0.000 2.691 353 M HA 0.144 nan 4.480 nan 0.000 0.293 353 M C -1.399 175.056 176.300 0.258 0.000 1.259 353 M CA -1.108 54.403 55.300 0.351 0.000 0.827 353 M CB 3.947 36.777 32.600 0.383 0.000 1.753 353 M HN -0.928 7.435 8.290 0.159 0.023 0.465 354 S N -0.662 115.216 115.700 0.297 0.000 3.845 354 S HA -0.307 nan 4.470 nan 0.000 0.641 354 S C -1.895 172.910 174.600 0.341 0.000 1.900 354 S CA 0.344 58.714 58.200 0.283 0.000 2.062 354 S CB 0.224 63.555 63.200 0.218 0.000 0.327 354 S HN 0.808 9.306 8.310 0.313 0.000 1.788 355 S N -1.044 114.844 115.700 0.313 0.000 2.806 355 S HA 0.312 nan 4.470 nan 0.000 0.315 355 S C 0.224 174.911 174.600 0.144 0.000 1.127 355 S CA -1.495 56.870 58.200 0.276 0.000 0.918 355 S CB 3.162 66.626 63.200 0.441 0.000 1.240 355 S HN -0.016 8.470 8.310 0.293 0.000 0.552 356 K N -0.493 119.922 120.400 0.026 0.000 2.362 356 K HA -0.134 nan 4.320 nan 0.000 0.200 356 K C 1.448 177.973 176.600 -0.126 0.000 1.046 356 K CA 2.017 58.240 56.287 -0.107 0.000 0.952 356 K CB -0.636 31.710 32.500 -0.256 0.000 0.753 356 K HN 0.377 8.634 8.250 0.012 0.000 0.466 357 W N -1.243 120.099 121.300 0.070 0.000 3.109 357 W HA -0.135 nan 4.660 nan 0.000 0.242 357 W C 0.983 177.548 176.519 0.076 0.000 1.318 357 W CA 0.549 57.934 57.345 0.067 0.000 1.491 357 W CB -0.484 29.016 29.460 0.066 0.000 1.120 357 W HN -0.698 7.589 8.180 0.272 0.057 0.715 358 L N -0.538 120.824 121.223 0.232 0.000 2.450 358 L HA -0.488 nan 4.340 nan 0.000 0.224 358 L C 1.765 178.748 176.870 0.189 0.000 1.149 358 L CA 2.251 57.206 54.840 0.192 0.000 0.816 358 L CB -0.986 41.148 42.059 0.124 0.000 0.932 358 L HN -0.608 7.611 8.230 0.162 0.108 0.449 359 S N 1.528 117.335 115.700 0.178 0.000 2.400 359 S HA -0.329 nan 4.470 nan 0.000 0.232 359 S C 1.075 175.837 174.600 0.270 0.000 1.025 359 S CA 2.858 61.169 58.200 0.185 0.000 0.993 359 S CB -0.202 63.059 63.200 0.101 0.000 0.808 359 S HN -0.469 7.859 8.310 0.143 0.067 0.478 360 M N -4.630 115.157 119.600 0.312 0.000 2.431 360 M HA 0.233 nan 4.480 nan 0.000 0.237 360 M C 0.318 176.755 176.300 0.227 0.000 1.130 360 M CA -0.102 55.365 55.300 0.280 0.000 1.002 360 M CB 0.224 32.971 32.600 0.245 0.000 1.524 360 M HN -0.470 8.018 8.290 0.362 0.020 0.482 361 N N 3.531 122.377 118.700 0.243 0.000 2.843 361 N HA 0.088 nan 4.740 nan 0.000 0.284 361 N C -1.463 174.232 175.510 0.308 0.000 1.274 361 N CA -0.980 52.207 53.050 0.228 0.000 1.045 361 N CB -0.896 37.727 38.487 0.226 0.000 1.370 361 N HN -0.257 8.069 8.380 0.258 0.209 0.525 362 V N -4.170 115.908 119.914 0.275 0.000 3.051 362 V HA 0.385 nan 4.120 nan 0.000 0.306 362 V C -1.361 174.874 176.094 0.236 0.000 1.083 362 V CA -1.231 61.227 62.300 0.264 0.000 1.104 362 V CB 0.694 32.584 31.823 0.113 0.000 1.027 362 V HN -0.611 7.608 8.190 0.230 0.109 0.483 363 L N 3.532 124.866 121.223 0.185 0.000 2.356 363 L HA 0.527 nan 4.340 nan 0.000 0.277 363 L C -1.288 175.603 176.870 0.036 0.000 0.996 363 L CA -0.808 54.149 54.840 0.195 0.000 0.822 363 L CB 3.905 46.097 42.059 0.221 0.000 1.256 363 L HN -0.485 7.797 8.230 0.087 0.000 0.413 364 M N 4.698 124.338 119.600 0.067 0.000 2.144 364 M HA 0.364 nan 4.480 nan 0.000 0.356 364 M C 0.680 176.991 176.300 0.019 0.000 1.217 364 M CA -1.421 53.887 55.300 0.012 0.000 1.087 364 M CB -0.585 32.063 32.600 0.079 0.000 1.609 364 M HN 0.716 9.093 8.290 0.144 0.000 0.467 365 L N 3.104 124.312 121.223 -0.026 0.000 2.240 365 L HA -0.136 nan 4.340 nan 0.000 0.211 365 L C -0.413 176.462 176.870 0.008 0.000 1.106 365 L CA 2.232 57.063 54.840 -0.016 0.000 0.793 365 L CB -0.219 41.814 42.059 -0.044 0.000 0.927 365 L HN 0.930 9.119 8.230 -0.067 0.000 0.446 366 D N -4.488 115.923 120.400 0.018 0.000 2.792 366 D HA 0.030 nan 4.640 nan 0.000 0.335 366 D C 0.765 177.102 176.300 0.061 0.000 1.353 366 D CA -0.502 53.531 54.000 0.055 0.000 0.839 366 D CB 0.073 40.895 40.800 0.036 0.000 1.396 366 D HN -0.632 7.713 8.370 -0.005 0.022 0.479 367 E N -1.683 118.566 120.200 0.081 0.000 2.209 367 E HA -0.269 nan 4.350 nan 0.000 0.196 367 E C 0.801 177.380 176.600 -0.035 0.000 0.993 367 E CA 2.853 59.264 56.400 0.018 0.000 0.819 367 E CB 0.009 29.703 29.700 -0.009 0.000 0.745 367 E HN 0.233 8.654 8.360 0.103 0.000 0.477 368 K N -4.855 115.528 120.400 -0.028 0.000 2.414 368 K HA 0.248 nan 4.320 nan 0.000 0.204 368 K C -1.713 174.849 176.600 -0.064 0.000 1.026 368 K CA -1.119 55.143 56.287 -0.042 0.000 1.108 368 K CB 0.787 33.270 32.500 -0.028 0.000 0.855 368 K HN -0.064 8.473 8.250 -0.010 -0.294 0.517 369 R N -1.255 119.197 120.500 -0.081 0.000 2.514 369 R HA 0.532 nan 4.340 nan 0.000 0.296 369 R C -2.572 173.627 176.300 -0.168 0.000 1.012 369 R CA -0.445 55.588 56.100 -0.112 0.000 0.897 369 R CB 3.194 33.447 30.300 -0.078 0.000 1.184 369 R HN -0.561 7.563 8.270 -0.063 0.108 0.440 370 V N 4.734 124.489 119.914 -0.265 0.000 2.735 370 V HA 0.760 nan 4.120 nan 0.000 0.310 370 V C -2.424 173.449 176.094 -0.369 0.000 1.061 370 V CA -2.701 59.379 62.300 -0.367 0.000 0.913 370 V CB 4.409 35.804 31.823 -0.713 0.000 1.005 370 V HN 0.724 8.759 8.190 -0.259 0.000 0.428 371 M N 9.507 128.874 119.600 -0.388 0.000 2.063 371 M HA 0.595 nan 4.480 nan 0.000 0.348 371 M C -2.391 173.462 176.300 -0.745 0.000 1.180 371 M CA -0.082 54.862 55.300 -0.592 0.000 1.059 371 M CB 1.269 33.476 32.600 -0.655 0.000 1.544 371 M HN 0.330 8.432 8.290 -0.313 0.000 0.447 372 V N 6.579 126.151 119.914 -0.570 0.000 2.914 372 V HA 0.454 nan 4.120 nan 0.000 0.314 372 V C -2.644 173.450 176.094 0.001 0.000 1.084 372 V CA -3.233 58.953 62.300 -0.190 0.000 0.963 372 V CB 4.336 36.129 31.823 -0.050 0.000 1.025 372 V HN 0.328 8.228 8.190 -0.482 0.000 0.432 373 D N 4.492 125.124 120.400 0.386 0.000 2.458 373 D HA -0.122 nan 4.640 nan 0.000 0.243 373 D C 0.911 177.294 176.300 0.137 0.000 1.146 373 D CA 1.138 55.347 54.000 0.348 0.000 0.877 373 D CB 1.101 42.048 40.800 0.244 0.000 1.176 373 D HN 0.325 8.960 8.370 0.442 0.000 0.461 374 A N 7.769 130.646 122.820 0.095 0.000 1.978 374 A HA -0.261 nan 4.320 nan 0.000 0.220 374 A C 0.934 178.528 177.584 0.016 0.000 1.170 374 A CA 2.709 54.765 52.037 0.033 0.000 0.636 374 A CB -0.087 18.922 19.000 0.015 0.000 0.810 374 A HN 0.778 8.896 8.150 0.133 0.112 0.448 375 N N -3.671 115.035 118.700 0.009 0.000 2.354 375 N HA -0.094 nan 4.740 nan 0.000 0.179 375 N C 0.180 175.684 175.510 -0.010 0.000 1.021 375 N CA 2.010 55.049 53.050 -0.017 0.000 0.887 375 N CB 0.451 38.908 38.487 -0.051 0.000 0.974 375 N HN -0.466 8.117 8.380 0.020 -0.191 0.437 376 E N 1.198 121.408 120.200 0.017 0.000 1.972 376 E HA 0.048 nan 4.350 nan 0.000 0.292 376 E C -0.056 176.563 176.600 0.031 0.000 1.193 376 E CA -0.450 55.962 56.400 0.020 0.000 1.228 376 E CB -1.861 27.869 29.700 0.049 0.000 1.167 376 E HN -0.565 7.921 8.360 0.040 -0.102 0.479 377 V N 3.052 122.972 119.914 0.010 0.000 2.332 377 V HA -0.303 nan 4.120 nan 0.000 0.248 377 V C -0.484 175.618 176.094 0.014 0.000 1.055 377 V CA 6.186 68.494 62.300 0.013 0.000 1.038 377 V CB -2.772 29.050 31.823 -0.002 0.000 0.651 377 V HN -0.363 7.777 8.190 -0.004 0.047 0.450 378 P HA -0.239 nan 4.420 nan 0.000 0.215 378 P C 1.501 178.794 177.300 -0.012 0.000 1.153 378 P CA 3.526 66.620 63.100 -0.010 0.000 0.853 378 P CB -0.382 31.306 31.700 -0.021 0.000 0.788 379 I N -3.509 117.066 120.570 0.009 0.000 2.761 379 I HA -0.383 nan 4.170 nan 0.000 0.261 379 I C 1.123 177.280 176.117 0.067 0.000 1.198 379 I CA 1.773 63.064 61.300 -0.015 0.000 1.482 379 I CB -0.200 37.833 38.000 0.054 0.000 1.100 379 I HN -0.712 7.512 8.210 0.024 0.000 0.445 380 Q N 0.690 120.567 119.800 0.128 0.000 2.016 380 Q HA -0.392 nan 4.340 nan 0.000 0.200 380 Q C 2.392 178.466 176.000 0.124 0.000 0.978 380 Q CA 3.721 59.632 55.803 0.180 0.000 0.833 380 Q CB -0.179 28.616 28.738 0.095 0.000 0.895 380 Q HN -0.455 7.734 8.270 0.086 0.132 0.427 381 K N -0.927 119.500 120.400 0.046 0.000 2.103 381 K HA -0.314 nan 4.320 nan 0.000 0.207 381 K C 2.240 178.835 176.600 -0.008 0.000 1.048 381 K CA 2.336 58.633 56.287 0.017 0.000 0.930 381 K CB -0.732 31.767 32.500 -0.003 0.000 0.716 381 K HN -0.033 8.238 8.250 0.034 0.000 0.444 382 M N -0.281 119.277 119.600 -0.070 0.000 2.065 382 M HA -0.383 nan 4.480 nan 0.000 0.259 382 M C 2.106 178.322 176.300 -0.141 0.000 1.069 382 M CA 3.890 59.093 55.300 -0.162 0.000 1.110 382 M CB -0.061 32.350 32.600 -0.315 0.000 1.328 382 M HN -0.694 7.544 8.290 -0.070 0.009 0.405 383 F N -2.688 117.248 119.950 -0.023 0.000 2.171 383 F HA -0.412 nan 4.527 nan 0.000 0.300 383 F C 2.254 178.033 175.800 -0.035 0.000 1.090 383 F CA 3.605 61.584 58.000 -0.034 0.000 1.293 383 F CB -0.826 38.153 39.000 -0.034 0.000 1.013 383 F HN -0.579 7.653 8.300 -0.114 0.000 0.486 384 E N -0.531 119.761 120.200 0.153 0.000 2.077 384 E HA -0.356 nan 4.350 nan 0.000 0.193 384 E C 2.962 179.584 176.600 0.038 0.000 0.989 384 E CA 3.391 59.836 56.400 0.075 0.000 0.800 384 E CB -0.361 29.369 29.700 0.051 0.000 0.746 384 E HN -0.059 8.309 8.360 0.156 0.085 0.452 385 K N -0.574 119.836 120.400 0.018 0.000 2.362 385 K HA -0.207 nan 4.320 nan 0.000 0.200 385 K C 1.267 177.866 176.600 -0.003 0.000 1.046 385 K CA 2.389 58.675 56.287 -0.001 0.000 0.952 385 K CB -0.161 32.329 32.500 -0.017 0.000 0.753 385 K HN -0.183 8.075 8.250 0.014 0.000 0.466 386 L N -3.398 117.832 121.223 0.010 0.000 2.591 386 L HA 0.020 nan 4.340 nan 0.000 0.228 386 L C 0.056 176.935 176.870 0.015 0.000 1.133 386 L CA -0.157 54.688 54.840 0.008 0.000 0.880 386 L CB 0.067 42.137 42.059 0.019 0.000 1.033 386 L HN -0.863 7.209 8.230 0.029 0.175 0.450 387 G N -2.040 106.773 108.800 0.022 0.000 2.137 387 G HA2 -0.374 nan 3.960 nan 0.000 0.237 387 G HA3 -0.374 nan 3.960 nan 0.000 0.237 387 G C -0.478 174.430 174.900 0.012 0.000 1.002 387 G CA 0.193 45.300 45.100 0.011 0.000 0.702 387 G HN -0.362 7.745 8.290 0.028 0.199 0.515 388 I N 1.264 121.857 120.570 0.039 0.000 2.321 388 I HA -0.010 nan 4.170 nan 0.000 0.291 388 I C -0.821 175.289 176.117 -0.011 0.000 0.998 388 I CA -0.701 60.606 61.300 0.011 0.000 1.227 388 I CB 0.831 38.859 38.000 0.047 0.000 1.368 388 I HN -0.290 7.931 8.210 0.074 0.034 0.466 389 T N 10.007 124.534 114.554 -0.045 0.000 2.853 389 T HA 0.062 nan 4.350 nan 0.000 0.298 389 T C -0.212 174.429 174.700 -0.099 0.000 0.978 389 T CA 0.969 63.037 62.100 -0.054 0.000 1.152 389 T CB 0.306 69.142 68.868 -0.053 0.000 0.914 389 T HN 0.373 8.585 8.240 -0.046 0.000 0.539 390 T N 2.891 117.398 114.554 -0.079 0.000 2.744 390 T HA 0.592 nan 4.350 nan 0.000 0.291 390 T C -0.273 174.356 174.700 -0.117 0.000 0.957 390 T CA -1.971 60.060 62.100 -0.115 0.000 1.002 390 T CB 0.222 69.062 68.868 -0.047 0.000 0.919 390 T HN 0.165 8.379 8.240 -0.043 0.000 0.468 391 I N 7.246 127.714 120.570 -0.171 0.000 2.337 391 I HA 0.199 nan 4.170 nan 0.000 0.285 391 I C -1.025 174.974 176.117 -0.196 0.000 1.041 391 I CA -0.686 60.516 61.300 -0.162 0.000 1.199 391 I CB 0.697 38.591 38.000 -0.178 0.000 1.370 391 I HN 0.990 9.066 8.210 -0.224 0.000 0.470 392 K N 7.017 127.342 120.400 -0.125 0.000 2.297 392 K HA 0.304 nan 4.320 nan 0.000 0.286 392 K C -1.258 175.296 176.600 -0.076 0.000 1.053 392 K CA 0.135 56.365 56.287 -0.096 0.000 0.940 392 K CB 0.374 32.848 32.500 -0.043 0.000 1.019 392 K HN 0.151 8.345 8.250 -0.094 0.000 0.475 393 V N 3.484 123.374 119.914 -0.040 0.000 2.841 393 V HA 0.219 nan 4.120 nan 0.000 0.310 393 V C -1.726 174.463 176.094 0.159 0.000 1.090 393 V CA -1.665 60.664 62.300 0.048 0.000 0.930 393 V CB 4.398 36.262 31.823 0.068 0.000 1.014 393 V HN 0.329 8.496 8.190 -0.038 0.000 0.425 394 N N 4.857 123.600 118.700 0.072 0.000 2.422 394 N HA 0.470 nan 4.740 nan 0.000 0.266 394 N C -0.395 175.097 175.510 -0.029 0.000 1.007 394 N CA -0.099 52.968 53.050 0.028 0.000 0.941 394 N CB 0.842 39.315 38.487 -0.023 0.000 1.115 394 N HN 0.256 8.656 8.380 0.033 0.000 0.492 395 I N -0.382 120.136 120.570 -0.086 0.000 3.171 395 I HA 0.430 nan 4.170 nan 0.000 0.329 395 I C -0.108 175.897 176.117 -0.188 0.000 1.522 395 I CA -1.845 59.324 61.300 -0.219 0.000 0.948 395 I CB 0.199 37.937 38.000 -0.437 0.000 1.527 395 I HN -0.130 8.276 8.210 -0.053 -0.228 0.547 396 R N 3.328 123.736 120.500 -0.152 0.000 2.103 396 R HA -0.414 nan 4.340 nan 0.000 0.242 396 R C 0.904 177.165 176.300 -0.065 0.000 1.142 396 R CA 3.718 59.703 56.100 -0.191 0.000 0.960 396 R CB -0.401 29.730 30.300 -0.281 0.000 0.858 396 R HN 0.089 8.545 8.270 -0.137 -0.268 0.439 397 N N -1.317 117.364 118.700 -0.032 0.000 2.300 397 N HA -0.171 nan 4.740 nan 0.000 0.179 397 N C 2.335 177.981 175.510 0.226 0.000 1.016 397 N CA 3.171 56.291 53.050 0.117 0.000 0.876 397 N CB -0.121 38.295 38.487 -0.118 0.000 0.979 397 N HN -0.617 8.098 8.380 -0.100 -0.395 0.432 398 A N 1.033 123.865 122.820 0.020 0.000 1.969 398 A HA -0.209 nan 4.320 nan 0.000 0.218 398 A C 2.067 179.799 177.584 0.248 0.000 1.169 398 A CA 2.843 54.881 52.037 0.001 0.000 0.635 398 A CB -0.736 17.887 19.000 -0.628 0.000 0.810 398 A HN 0.122 8.396 8.150 -0.096 -0.181 0.445 399 N N -1.692 117.085 118.700 0.128 0.000 2.137 399 N HA -0.278 nan 4.740 nan 0.000 0.190 399 N C 2.551 178.140 175.510 0.132 0.000 1.017 399 N CA 2.610 55.752 53.050 0.153 0.000 0.859 399 N CB -0.772 37.765 38.487 0.084 0.000 1.002 399 N HN 0.132 8.509 8.380 0.027 0.019 0.428 400 S N 1.156 116.902 115.700 0.077 0.000 2.419 400 S HA -0.275 nan 4.470 nan 0.000 0.235 400 S C 1.506 176.085 174.600 -0.035 0.000 1.019 400 S CA 3.216 61.268 58.200 -0.246 0.000 0.982 400 S CB -0.279 62.483 63.200 -0.729 0.000 0.789 400 S HN -0.577 7.716 8.310 0.189 0.131 0.490 401 L N -3.625 117.670 121.223 0.120 0.000 2.465 401 L HA -0.230 nan 4.340 nan 0.000 0.224 401 L C 0.590 177.541 176.870 0.134 0.000 1.145 401 L CA 1.155 56.051 54.840 0.095 0.000 0.834 401 L CB 0.094 42.160 42.059 0.012 0.000 0.944 401 L HN -0.548 7.662 8.230 0.189 0.134 0.451 402 G N -3.821 105.061 108.800 0.137 0.000 2.183 402 G HA2 -0.123 nan 3.960 nan 0.000 0.168 402 G HA3 -0.123 nan 3.960 nan 0.000 0.168 402 G C -1.270 173.702 174.900 0.120 0.000 1.008 402 G CA -0.410 44.781 45.100 0.152 0.000 0.677 402 G HN -0.216 7.979 8.290 0.140 0.179 0.498 403 G N -2.551 106.327 108.800 0.131 0.000 2.692 403 G HA2 0.153 nan 3.960 nan 0.000 0.291 403 G HA3 0.153 nan 3.960 nan 0.000 0.291 403 G C -1.915 173.164 174.900 0.299 0.000 1.423 403 G CA -0.994 44.193 45.100 0.146 0.000 0.843 403 G HN -1.125 7.291 8.290 0.210 0.000 0.486 404 G N -1.980 106.943 108.800 0.206 0.000 2.990 404 G HA2 0.427 nan 3.960 nan 0.000 0.208 404 G HA3 0.427 nan 3.960 nan 0.000 0.208 404 G C 0.258 175.165 174.900 0.012 0.000 1.334 404 G CA -1.437 43.663 45.100 0.000 0.000 1.024 404 G HN -0.476 7.927 8.290 0.189 0.000 0.574 405 F N -0.160 119.922 119.950 0.220 0.000 2.126 405 F HA -0.316 nan 4.527 nan 0.000 0.299 405 F C 1.396 177.330 175.800 0.223 0.000 1.096 405 F CA 4.194 62.308 58.000 0.189 0.000 1.255 405 F CB -0.078 38.988 39.000 0.110 0.000 0.997 405 F HN -0.204 7.904 8.300 -0.321 0.000 0.479 406 H N -1.816 117.419 119.070 0.275 0.000 2.357 406 H HA -0.254 nan 4.556 nan 0.000 0.301 406 H C 2.163 177.566 175.328 0.125 0.000 1.082 406 H CA 4.521 60.680 56.048 0.184 0.000 1.342 406 H CB 1.030 30.887 29.762 0.158 0.000 1.389 406 H HN -0.160 8.398 8.280 0.465 0.000 0.511 407 C N -0.613 118.782 119.300 0.157 0.000 2.457 407 C HA -0.210 nan 4.460 nan 0.000 0.278 407 C C 2.096 177.041 174.990 -0.076 0.000 1.309 407 C CA 4.225 63.235 59.018 -0.014 0.000 1.735 407 C CB -1.285 26.432 27.740 -0.039 0.000 1.992 407 C HN -0.360 8.017 8.230 0.244 0.000 0.493 408 W N -2.212 119.060 121.300 -0.047 0.000 2.961 408 W HA -0.184 nan 4.660 nan 0.000 0.240 408 W C -1.141 175.371 176.519 -0.012 0.000 1.305 408 W CA 1.699 59.016 57.345 -0.048 0.000 1.465 408 W CB -0.534 28.887 29.460 -0.064 0.000 1.135 408 W HN 0.033 8.408 8.180 0.325 0.000 0.688 409 T N -8.395 106.236 114.554 0.128 0.000 2.865 409 T HA 0.590 nan 4.350 nan 0.000 0.294 409 T C -2.756 171.920 174.700 -0.041 0.000 1.119 409 T CA -2.369 59.777 62.100 0.076 0.000 1.007 409 T CB 3.442 72.366 68.868 0.092 0.000 1.225 409 T HN -0.689 7.501 8.240 0.070 0.092 0.515 410 C N 2.311 121.598 119.300 -0.022 0.000 2.620 410 C HA 0.422 nan 4.460 nan 0.000 0.356 410 C C -2.073 172.893 174.990 -0.040 0.000 1.082 410 C CA -1.307 57.670 59.018 -0.069 0.000 1.293 410 C CB 1.946 29.645 27.740 -0.069 0.000 1.836 410 C HN 0.328 8.576 8.230 0.030 0.000 0.453 411 D N 7.776 128.138 120.400 -0.063 0.000 2.358 411 D HA -0.044 nan 4.640 nan 0.000 0.258 411 D C -0.565 175.683 176.300 -0.087 0.000 1.223 411 D CA 0.510 54.478 54.000 -0.053 0.000 0.886 411 D CB -0.180 40.591 40.800 -0.049 0.000 1.120 411 D HN -0.054 8.261 8.370 -0.092 0.000 0.482 412 V N 1.282 121.140 119.914 -0.093 0.000 2.599 412 V HA 0.004 nan 4.120 nan 0.000 0.245 412 V C -0.399 175.568 176.094 -0.211 0.000 1.046 412 V CA 2.208 64.400 62.300 -0.180 0.000 1.065 412 V CB 0.974 32.669 31.823 -0.213 0.000 0.703 412 V HN 0.170 8.327 8.190 -0.055 0.000 0.464 413 R N -2.114 118.297 120.500 -0.147 0.000 2.533 413 R HA 0.479 nan 4.340 nan 0.000 0.288 413 R C -2.574 173.674 176.300 -0.086 0.000 1.039 413 R CA -0.474 55.546 56.100 -0.133 0.000 0.909 413 R CB 3.071 33.300 30.300 -0.119 0.000 1.195 413 R HN -0.532 7.676 8.270 -0.104 0.000 0.438 414 R N 4.680 125.127 120.500 -0.088 0.000 2.621 414 R HA 0.584 nan 4.340 nan 0.000 0.292 414 R C -1.690 174.595 176.300 -0.025 0.000 0.969 414 R CA -1.528 54.539 56.100 -0.055 0.000 0.887 414 R CB 3.508 33.761 30.300 -0.079 0.000 1.180 414 R HN 0.512 8.711 8.270 -0.119 0.000 0.450 415 R N 3.932 124.433 120.500 0.003 0.000 2.296 415 R HA -0.089 nan 4.340 nan 0.000 0.323 415 R C -0.957 175.379 176.300 0.061 0.000 1.067 415 R CA 0.880 56.998 56.100 0.030 0.000 0.946 415 R CB 0.079 30.396 30.300 0.028 0.000 0.991 415 R HN 0.634 8.804 8.270 0.002 0.101 0.448 416 G N 4.188 113.048 108.800 0.101 0.000 2.320 416 G HA2 0.146 nan 3.960 nan 0.000 0.296 416 G HA3 0.146 nan 3.960 nan 0.000 0.296 416 G C -2.672 172.348 174.900 0.199 0.000 1.306 416 G CA 0.280 45.464 45.100 0.139 0.000 0.836 416 G HN -0.159 8.194 8.290 0.105 0.000 0.517 417 T N -3.934 110.699 114.554 0.131 0.000 2.907 417 T HA 0.367 nan 4.350 nan 0.000 0.290 417 T C -0.878 173.636 174.700 -0.311 0.000 1.066 417 T CA -2.250 59.826 62.100 -0.041 0.000 1.012 417 T CB 2.906 71.743 68.868 -0.052 0.000 1.184 417 T HN 0.196 8.513 8.240 0.129 0.000 0.522 418 L N 1.802 122.576 121.223 -0.748 0.000 2.361 418 L HA 0.154 nan 4.340 nan 0.000 0.278 418 L C -0.875 175.793 176.870 -0.337 0.000 1.113 418 L CA 0.095 54.485 54.840 -0.749 0.000 0.849 418 L CB 0.277 41.818 42.059 -0.863 0.000 1.155 418 L HN 0.166 7.986 8.230 -0.684 0.000 0.452 419 Q N 4.593 124.242 119.800 -0.253 0.000 2.605 419 Q HA 0.262 nan 4.340 nan 0.000 0.296 419 Q C -2.074 173.638 176.000 -0.480 0.000 1.056 419 Q CA -1.741 53.849 55.803 -0.355 0.000 0.778 419 Q CB 4.104 32.592 28.738 -0.416 0.000 1.497 419 Q HN 0.076 8.253 8.270 -0.154 0.000 0.443 420 S N -1.062 114.362 115.700 -0.460 0.000 2.509 420 S HA 0.444 nan 4.470 nan 0.000 0.297 420 S C -1.327 173.043 174.600 -0.383 0.000 1.118 420 S CA -0.709 57.328 58.200 -0.272 0.000 1.074 420 S CB 0.624 63.777 63.200 -0.079 0.000 1.038 420 S HN 0.094 8.182 8.310 -0.369 0.000 0.498 421 Y N 3.471 123.988 120.300 0.361 0.000 2.563 421 Y HA 0.185 nan 4.550 nan 0.000 0.250 421 Y C -0.485 175.791 175.900 0.627 0.000 1.126 421 Y CA -0.200 58.155 58.100 0.426 0.000 1.231 421 Y CB 1.053 39.774 38.460 0.435 0.000 1.288 421 Y HN 0.851 9.335 8.280 0.340 0.000 0.537 422 L N -0.576 120.980 121.223 0.554 0.000 2.693 422 L HA 0.071 nan 4.340 nan 0.000 0.235 422 L C -0.885 176.106 176.870 0.202 0.000 1.127 422 L CA -0.081 54.975 54.840 0.361 0.000 0.914 422 L CB 0.387 42.575 42.059 0.214 0.000 1.193 422 L HN -0.538 7.937 8.230 0.409 0.000 0.502 423 D N 0.000 120.518 120.400 0.197 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.066 54.000 0.110 0.000 0.868 423 D CB 0.000 40.862 40.800 0.103 0.000 0.688 423 D HN 0.000 8.425 8.370 0.241 0.090 0.683