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 3lt1_1_A DATA FIRST_RESID 96 DATA SEQUENCE NEDICFIAGI GDTNGYGWGI AKELSKRNVK IIFGIWPPVY NIFMKNYKNG DATA SEQUENCE KFDNDMIIDK DKKMNILDML PFDASFDTAN DIDEETKNNK RYNMLQNYTI DATA SEQUENCE EDVANLIHQK YGKINMLVHS LANAKEVQKD LLNTSRKGYL DALSKSSYSL DATA SEQUENCE ISLCKYFVNI MKPQSSIISL TYHASQKVVP GYGGGMSSAK AALESDTRVL DATA SEQUENCE AYHLGRNYNI RINTISAGPL KSRAATAINK XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTFIDYAIEY SEKYAPLRQK LLSTDIGSVA DATA SEQUENCE SFLLSRESRA ITGQTIYVDN GLNIMFLPD 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 96 N HA 0.000 nan 4.740 nan 0.000 0.220 96 N C 0.000 175.512 175.510 0.003 0.000 1.280 96 N CA 0.000 53.051 53.050 0.002 0.000 0.885 96 N CB 0.000 38.489 38.487 0.003 0.000 1.341 97 E N 0.536 120.736 120.200 0.000 0.000 2.298 97 E HA -0.117 4.233 4.350 -0.000 0.000 0.235 97 E C -0.781 175.820 176.600 0.002 0.000 1.167 97 E CA 0.769 57.169 56.400 0.000 0.000 0.708 97 E CB -2.751 nan 29.700 nan 0.000 1.236 97 E HN 0.795 nan 8.360 nan 0.000 0.386 98 D N -0.641 119.756 120.400 -0.004 0.000 2.255 98 D HA 0.696 5.336 4.640 -0.000 0.000 0.249 98 D C 0.747 177.042 176.300 -0.009 0.000 1.078 98 D CA -0.076 53.922 54.000 -0.003 0.000 0.896 98 D CB 1.135 41.931 40.800 -0.007 0.000 1.194 98 D HN 0.607 nan 8.370 nan 0.000 0.429 99 I N 1.086 121.659 120.570 0.005 0.000 2.498 99 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 99 I C -0.538 175.599 176.117 0.033 0.000 1.032 99 I CA -0.813 60.489 61.300 0.003 0.000 1.073 99 I CB 2.330 40.337 38.000 0.011 0.000 1.251 99 I HN 0.251 nan 8.210 nan 0.000 0.426 100 C N 6.740 126.057 119.300 0.028 0.000 2.396 100 C HA 0.516 4.976 4.460 -0.000 0.000 0.321 100 C C -0.522 174.536 174.990 0.114 0.000 1.233 100 C CA -0.731 58.318 59.018 0.052 0.000 1.440 100 C CB 0.344 28.086 27.740 0.003 0.000 2.110 100 C HN 0.731 nan 8.230 nan 0.000 0.473 101 F N 7.210 127.139 119.950 -0.034 0.000 2.424 101 F HA 0.643 5.170 4.527 0.000 0.000 0.356 101 F C -0.114 175.605 175.800 -0.134 0.000 1.110 101 F CA -0.455 57.505 58.000 -0.066 0.000 1.161 101 F CB 0.492 39.452 39.000 -0.066 0.000 1.115 101 F HN 0.492 nan 8.300 nan 0.000 0.507 102 I N 7.124 127.327 120.570 -0.612 0.000 2.330 102 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 102 I C -0.231 175.272 176.117 -1.023 0.000 1.025 102 I CA -0.703 60.224 61.300 -0.621 0.000 1.197 102 I CB 1.260 39.091 38.000 -0.281 0.000 1.358 102 I HN 0.670 nan 8.210 nan 0.000 0.467 103 A N 4.944 127.109 122.820 -1.092 0.000 2.260 103 A HA 0.694 5.014 4.320 -0.000 0.000 0.312 103 A C 0.756 178.023 177.584 -0.528 0.000 1.321 103 A CA -0.039 51.375 52.037 -1.038 0.000 0.928 103 A CB 0.233 18.539 19.000 -1.156 0.000 1.158 103 A HN 1.089 nan 8.150 nan 0.000 0.542 104 G N 2.050 110.639 108.800 -0.352 0.000 2.462 104 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.124 104 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.124 104 G C -0.558 174.196 174.900 -0.243 0.000 1.062 104 G CA -0.396 44.562 45.100 -0.236 0.000 0.764 104 G HN 0.695 nan 8.290 nan 0.000 0.485 105 I N 0.713 121.104 120.570 -0.299 0.000 2.406 105 I HA 0.605 4.775 4.170 -0.000 0.000 0.290 105 I C 1.218 177.153 176.117 -0.303 0.000 0.999 105 I CA -0.038 61.042 61.300 -0.366 0.000 1.124 105 I CB 1.974 39.543 38.000 -0.718 0.000 1.289 105 I HN 0.192 nan 8.210 nan 0.000 0.441 106 G N 3.853 112.578 108.800 -0.126 0.000 2.815 106 G HA2 0.259 4.219 3.960 -0.000 0.000 0.215 106 G HA3 0.259 4.219 3.960 -0.000 0.000 0.215 106 G C -0.328 174.721 174.900 0.247 0.000 1.054 106 G CA 0.293 45.422 45.100 0.048 0.000 0.832 106 G HN 0.689 nan 8.290 nan 0.000 0.557 107 D N -2.273 118.184 120.400 0.096 0.000 3.213 107 D HA 0.207 4.847 4.640 -0.000 0.000 0.357 107 D C 0.528 176.570 176.300 -0.429 0.000 1.446 107 D CA 0.368 54.299 54.000 -0.114 0.000 0.893 107 D CB -0.108 40.649 40.800 -0.071 0.000 1.466 107 D HN -0.019 nan 8.370 nan 0.000 0.541 108 T N -3.346 110.754 114.554 -0.757 0.000 3.092 108 T HA 0.242 4.592 4.350 -0.000 0.000 0.258 108 T C 0.126 174.509 174.700 -0.528 0.000 1.031 108 T CA -0.243 61.171 62.100 -1.143 0.000 0.925 108 T CB -0.500 67.282 68.868 -1.809 0.000 1.036 108 T HN 0.313 nan 8.240 nan 0.000 0.544 109 N N 1.248 119.773 118.700 -0.291 0.000 2.280 109 N HA 0.236 4.976 4.740 -0.000 0.000 0.192 109 N C 0.889 176.305 175.510 -0.157 0.000 1.109 109 N CA 0.088 53.031 53.050 -0.179 0.000 0.855 109 N CB 0.841 39.245 38.487 -0.138 0.000 0.974 109 N HN 0.626 nan 8.380 nan 0.000 0.482 110 G N -0.943 107.781 108.800 -0.126 0.000 2.887 110 G HA2 0.299 4.259 3.960 -0.000 0.000 0.277 110 G HA3 0.299 4.259 3.960 -0.000 0.000 0.277 110 G C 0.004 174.837 174.900 -0.112 0.000 1.346 110 G CA -0.331 44.673 45.100 -0.160 0.000 1.058 110 G HN -0.050 nan 8.290 nan 0.000 0.535 111 Y N 0.557 120.857 120.300 -0.001 0.000 2.314 111 Y HA 0.034 4.584 4.550 -0.000 0.000 0.293 111 Y C 2.857 178.744 175.900 -0.023 0.000 1.129 111 Y CA 1.093 59.193 58.100 -0.001 0.000 1.201 111 Y CB -0.508 37.945 38.460 -0.012 0.000 0.999 111 Y HN 0.515 nan 8.280 nan 0.000 0.541 112 G N -0.235 108.615 108.800 0.082 0.000 2.476 112 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 112 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 112 G C 1.699 176.562 174.900 -0.062 0.000 1.164 112 G CA 0.782 45.848 45.100 -0.057 0.000 0.768 112 G HN 0.539 nan 8.290 nan 0.000 0.560 113 W N 1.851 123.034 121.300 -0.194 0.000 2.355 113 W HA -0.103 4.557 4.660 0.000 0.000 0.309 113 W C 2.446 178.939 176.519 -0.043 0.000 1.206 113 W CA 1.739 58.989 57.345 -0.158 0.000 1.284 113 W CB -0.618 28.746 29.460 -0.159 0.000 1.145 113 W HN 0.248 nan 8.180 nan 0.000 0.502 114 G N 1.156 110.062 108.800 0.177 0.000 2.469 114 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 114 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 114 G C 1.554 176.462 174.900 0.013 0.000 1.150 114 G CA 1.513 46.680 45.100 0.112 0.000 0.763 114 G HN 0.323 nan 8.290 nan 0.000 0.561 115 I N 1.292 121.866 120.570 0.006 0.000 2.226 115 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 115 I C 3.291 179.358 176.117 -0.083 0.000 1.100 115 I CA 0.935 62.216 61.300 -0.032 0.000 1.374 115 I CB -0.219 37.759 38.000 -0.038 0.000 1.057 115 I HN 0.248 nan 8.210 nan 0.000 0.413 116 A N 0.870 123.600 122.820 -0.149 0.000 1.883 116 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 116 A C 2.329 179.783 177.584 -0.218 0.000 1.186 116 A CA 1.720 53.655 52.037 -0.170 0.000 0.624 116 A CB -0.476 18.399 19.000 -0.209 0.000 0.822 116 A HN 0.311 nan 8.150 nan 0.000 0.444 117 K N -0.545 119.671 120.400 -0.306 0.000 2.009 117 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 117 K C 2.023 178.567 176.600 -0.094 0.000 1.049 117 K CA 1.456 57.614 56.287 -0.214 0.000 0.929 117 K CB -0.233 32.176 32.500 -0.152 0.000 0.714 117 K HN 0.421 nan 8.250 nan 0.000 0.440 118 E N 1.101 121.266 120.200 -0.058 0.000 2.085 118 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 118 E C 2.178 178.763 176.600 -0.024 0.000 0.994 118 E CA 1.007 57.395 56.400 -0.021 0.000 0.801 118 E CB -0.272 29.429 29.700 0.001 0.000 0.743 118 E HN 0.305 nan 8.360 nan 0.000 0.453 119 L N 0.693 121.893 121.223 -0.039 0.000 2.083 119 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 119 L C 2.605 179.451 176.870 -0.039 0.000 1.083 119 L CA 0.815 55.634 54.840 -0.034 0.000 0.752 119 L CB -0.320 41.714 42.059 -0.041 0.000 0.899 119 L HN 0.035 nan 8.230 nan 0.000 0.433 120 S N -0.307 115.358 115.700 -0.058 0.000 2.370 120 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 120 S C 1.920 176.500 174.600 -0.033 0.000 1.033 120 S CA 1.279 59.445 58.200 -0.057 0.000 1.011 120 S CB -0.064 63.088 63.200 -0.080 0.000 0.852 120 S HN 0.339 nan 8.310 nan 0.000 0.457 121 K N 0.420 120.806 120.400 -0.024 0.000 2.089 121 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 121 K C 1.731 178.328 176.600 -0.005 0.000 1.048 121 K CA 1.365 57.647 56.287 -0.008 0.000 0.926 121 K CB -0.158 32.342 32.500 0.000 0.000 0.714 121 K HN 0.066 nan 8.250 nan 0.000 0.448 122 R N 1.075 121.571 120.500 -0.006 0.000 2.325 122 R HA 0.084 4.424 4.340 -0.000 0.000 0.214 122 R C -0.210 176.085 176.300 -0.009 0.000 0.961 122 R CA 0.106 56.204 56.100 -0.002 0.000 1.086 122 R CB -0.484 29.816 30.300 0.001 0.000 1.037 122 R HN 0.244 nan 8.270 nan 0.000 0.493 123 N N -0.674 118.017 118.700 -0.015 0.000 2.735 123 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 123 N C -0.986 174.508 175.510 -0.027 0.000 1.083 123 N CA 0.796 53.834 53.050 -0.020 0.000 0.703 123 N CB -1.485 36.994 38.487 -0.012 0.000 1.005 123 N HN 0.014 nan 8.380 nan 0.000 0.550 124 V N 0.866 120.760 119.914 -0.033 0.000 2.546 124 V HA 0.117 4.237 4.120 -0.000 0.000 0.284 124 V C 1.044 177.104 176.094 -0.057 0.000 1.050 124 V CA -0.442 61.836 62.300 -0.037 0.000 0.981 124 V CB 1.519 33.324 31.823 -0.031 0.000 0.990 124 V HN 0.031 nan 8.190 nan 0.000 0.474 125 K N 4.914 125.276 120.400 -0.065 0.000 2.322 125 K HA 0.403 4.723 4.320 -0.000 0.000 0.283 125 K C -0.832 175.702 176.600 -0.111 0.000 1.042 125 K CA -0.414 55.811 56.287 -0.104 0.000 0.958 125 K CB 0.746 33.172 32.500 -0.123 0.000 0.984 125 K HN 0.359 nan 8.250 nan 0.000 0.473 126 I N 4.592 125.067 120.570 -0.158 0.000 2.404 126 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 126 I C 0.125 176.106 176.117 -0.226 0.000 0.992 126 I CA -0.821 60.386 61.300 -0.155 0.000 1.149 126 I CB 1.131 39.022 38.000 -0.181 0.000 1.315 126 I HN 0.490 nan 8.210 nan 0.000 0.446 127 I N 6.000 126.538 120.570 -0.053 0.000 2.418 127 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 127 I C -0.499 175.761 176.117 0.239 0.000 1.008 127 I CA -0.469 60.859 61.300 0.047 0.000 1.104 127 I CB 1.411 39.546 38.000 0.225 0.000 1.264 127 I HN 0.291 nan 8.210 nan 0.000 0.438 128 F N 3.571 123.526 119.950 0.010 0.000 2.420 128 F HA 0.422 4.949 4.527 -0.000 0.000 0.352 128 F C 1.134 176.928 175.800 -0.011 0.000 1.108 128 F CA -0.866 57.062 58.000 -0.120 0.000 1.162 128 F CB 1.595 40.511 39.000 -0.141 0.000 1.118 128 F HN 0.490 nan 8.300 nan 0.000 0.510 129 G N 5.399 114.134 108.800 -0.108 0.000 2.356 129 G HA2 0.575 4.535 3.960 -0.000 0.000 0.312 129 G HA3 0.575 4.535 3.960 -0.000 0.000 0.312 129 G C -0.852 174.098 174.900 0.083 0.000 1.096 129 G CA -0.438 44.693 45.100 0.051 0.000 0.950 129 G HN 0.586 nan 8.290 nan 0.000 0.428 130 I N 2.050 122.767 120.570 0.246 0.000 2.378 130 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 130 I C -0.300 176.016 176.117 0.331 0.000 0.992 130 I CA -1.004 60.405 61.300 0.182 0.000 1.154 130 I CB 1.954 40.015 38.000 0.101 0.000 1.315 130 I HN 0.485 nan 8.210 nan 0.000 0.448 131 W N 9.761 131.110 121.300 0.082 0.000 2.347 131 W HA 0.142 4.802 4.660 -0.000 0.000 0.333 131 W C -1.958 174.542 176.519 -0.032 0.000 1.383 131 W CA -1.600 55.773 57.345 0.046 0.000 1.283 131 W CB 0.349 29.824 29.460 0.026 0.000 1.253 131 W HN 0.382 nan 8.180 nan 0.000 0.563 132 P HA -0.186 nan 4.420 nan 0.000 0.216 132 P C -1.165 175.708 177.300 -0.711 0.000 1.153 132 P CA 2.570 65.258 63.100 -0.688 0.000 0.858 132 P CB -0.760 30.108 31.700 -1.387 0.000 0.789 133 P HA -0.130 nan 4.420 nan 0.000 0.220 133 P C 1.175 178.269 177.300 -0.343 0.000 1.144 133 P CA 1.349 64.028 63.100 -0.702 0.000 0.800 133 P CB -0.390 30.681 31.700 -1.049 0.000 0.772 134 V N -6.391 113.403 119.914 -0.200 0.000 3.380 134 V HA 0.200 4.320 4.120 -0.000 0.000 0.307 134 V C 1.782 177.948 176.094 0.119 0.000 1.434 134 V CA -0.320 61.996 62.300 0.027 0.000 1.075 134 V CB -1.323 30.590 31.823 0.149 0.000 0.954 134 V HN -0.040 nan 8.190 nan 0.000 0.444 135 Y N 2.436 122.717 120.300 -0.031 0.000 2.097 135 Y HA -0.181 4.369 4.550 0.000 0.000 0.282 135 Y C 2.453 178.434 175.900 0.134 0.000 1.152 135 Y CA 2.605 60.734 58.100 0.048 0.000 1.136 135 Y CB -0.093 38.347 38.460 -0.033 0.000 0.975 135 Y HN 0.323 nan 8.280 nan 0.000 0.498 136 N N 0.640 119.378 118.700 0.063 0.000 2.188 136 N HA -0.195 4.545 4.740 -0.000 0.000 0.184 136 N C 2.098 177.603 175.510 -0.007 0.000 1.018 136 N CA 1.460 54.510 53.050 0.000 0.000 0.858 136 N CB -0.452 38.081 38.487 0.077 0.000 0.989 136 N HN 0.543 nan 8.380 nan 0.000 0.426 137 I N 0.150 120.742 120.570 0.036 0.000 2.286 137 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 137 I C 1.992 178.158 176.117 0.082 0.000 1.115 137 I CA 1.138 62.465 61.300 0.045 0.000 1.392 137 I CB -0.317 37.717 38.000 0.057 0.000 1.065 137 I HN -0.073 nan 8.210 nan 0.000 0.418 138 F N 1.489 121.444 119.950 0.008 0.000 2.102 138 F HA -0.269 4.258 4.527 0.000 0.000 0.298 138 F C 2.479 178.332 175.800 0.089 0.000 1.105 138 F CA 1.812 59.882 58.000 0.117 0.000 1.239 138 F CB -0.197 38.863 39.000 0.101 0.000 0.991 138 F HN -0.003 nan 8.300 nan 0.000 0.474 139 M N 0.568 120.241 119.600 0.121 0.000 2.108 139 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 139 M C 2.194 178.504 176.300 0.017 0.000 1.066 139 M CA 1.637 56.973 55.300 0.060 0.000 1.107 139 M CB -1.372 31.149 32.600 -0.131 0.000 1.356 139 M HN 0.199 nan 8.290 nan 0.000 0.406 140 K N 0.351 120.724 120.400 -0.045 0.000 2.026 140 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 140 K C 1.677 178.162 176.600 -0.193 0.000 1.048 140 K CA 1.840 58.076 56.287 -0.085 0.000 0.929 140 K CB -0.100 32.362 32.500 -0.064 0.000 0.713 140 K HN 0.410 nan 8.250 nan 0.000 0.439 141 N N -0.770 117.750 118.700 -0.299 0.000 2.104 141 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 141 N C 1.740 176.743 175.510 -0.845 0.000 1.024 141 N CA 1.310 53.990 53.050 -0.617 0.000 0.853 141 N CB -0.212 37.783 38.487 -0.820 0.000 1.008 141 N HN 0.232 nan 8.380 nan 0.000 0.424 142 Y N 1.877 121.706 120.300 -0.785 0.000 2.145 142 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 142 Y C 2.565 178.318 175.900 -0.244 0.000 1.145 142 Y CA 2.212 60.034 58.100 -0.462 0.000 1.148 142 Y CB -0.651 37.755 38.460 -0.090 0.000 0.981 142 Y HN -0.025 nan 8.280 nan 0.000 0.507 143 K N 0.681 120.930 120.400 -0.252 0.000 2.026 143 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 143 K C 1.741 178.172 176.600 -0.282 0.000 1.048 143 K CA 2.005 58.137 56.287 -0.259 0.000 0.929 143 K CB -1.597 30.849 32.500 -0.089 0.000 0.713 143 K HN 0.757 nan 8.250 nan 0.000 0.439 144 N N -0.489 118.051 118.700 -0.267 0.000 2.609 144 N HA 0.124 4.864 4.740 -0.000 0.000 0.190 144 N C 0.994 176.346 175.510 -0.264 0.000 1.157 144 N CA 0.202 53.110 53.050 -0.237 0.000 0.918 144 N CB 0.101 38.459 38.487 -0.215 0.000 0.978 144 N HN 0.651 nan 8.380 nan 0.000 0.448 145 G N 0.290 108.890 108.800 -0.333 0.000 2.162 145 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.260 145 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.260 145 G C 1.126 175.868 174.900 -0.263 0.000 0.976 145 G CA 0.824 45.761 45.100 -0.271 0.000 0.655 145 G HN 0.516 nan 8.290 nan 0.000 0.533 146 K N -0.594 119.551 120.400 -0.425 0.000 2.281 146 K HA 0.286 4.606 4.320 -0.000 0.000 0.203 146 K C 1.699 178.186 176.600 -0.188 0.000 1.046 146 K CA 1.966 58.017 56.287 -0.393 0.000 0.938 146 K CB -0.549 31.601 32.500 -0.584 0.000 0.737 146 K HN 0.643 nan 8.250 nan 0.000 0.458 147 F N 1.034 120.920 119.950 -0.106 0.000 2.695 147 F HA 0.192 4.719 4.527 -0.000 0.000 0.303 147 F C 1.227 177.062 175.800 0.058 0.000 1.091 147 F CA -1.083 56.868 58.000 -0.081 0.000 1.300 147 F CB 0.197 39.163 39.000 -0.057 0.000 1.071 147 F HN 0.134 nan 8.300 nan 0.000 0.578 148 D N 0.635 121.131 120.400 0.161 0.000 2.104 148 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 148 D C 1.771 178.162 176.300 0.152 0.000 0.994 148 D CA 1.351 55.433 54.000 0.135 0.000 0.830 148 D CB -0.221 40.599 40.800 0.034 0.000 0.959 148 D HN 0.150 nan 8.370 nan 0.000 0.452 149 N N 0.981 119.750 118.700 0.114 0.000 2.188 149 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 149 N C 1.104 176.709 175.510 0.159 0.000 1.018 149 N CA 0.754 53.868 53.050 0.107 0.000 0.858 149 N CB -0.263 38.263 38.487 0.065 0.000 0.989 149 N HN 0.236 nan 8.380 nan 0.000 0.426 150 D N 0.043 120.561 120.400 0.197 0.000 2.310 150 D HA -0.046 4.594 4.640 -0.000 0.000 0.212 150 D C 1.327 177.953 176.300 0.543 0.000 0.965 150 D CA 0.547 54.725 54.000 0.296 0.000 0.879 150 D CB 0.005 40.848 40.800 0.072 0.000 0.921 150 D HN 0.377 nan 8.370 nan 0.000 0.510 151 M N 0.141 120.020 119.600 0.464 0.000 2.495 151 M HA 0.128 4.608 4.480 -0.000 0.000 0.237 151 M C 0.445 176.871 176.300 0.209 0.000 1.131 151 M CA 0.064 55.603 55.300 0.400 0.000 1.032 151 M CB 0.666 33.507 32.600 0.401 0.000 1.513 151 M HN -0.192 nan 8.290 nan 0.000 0.488 152 I N 1.200 121.877 120.570 0.178 0.000 2.436 152 I HA -0.041 4.129 4.170 -0.000 0.000 0.289 152 I C 1.049 177.221 176.117 0.091 0.000 1.083 152 I CA -0.363 61.004 61.300 0.112 0.000 1.372 152 I CB 0.801 38.857 38.000 0.093 0.000 1.408 152 I HN 0.137 nan 8.210 nan 0.000 0.516 153 I N 4.561 125.168 120.570 0.061 0.000 2.703 153 I HA 0.026 4.196 4.170 -0.000 0.000 0.259 153 I C 0.814 176.953 176.117 0.037 0.000 1.151 153 I CA 1.221 62.545 61.300 0.041 0.000 1.470 153 I CB -1.139 36.873 38.000 0.020 0.000 1.112 153 I HN 0.746 nan 8.210 nan 0.000 0.437 154 D N -1.958 118.464 120.400 0.037 0.000 3.242 154 D HA 0.001 4.641 4.640 -0.000 0.000 0.357 154 D C 0.965 177.282 176.300 0.029 0.000 1.486 154 D CA 0.326 54.345 54.000 0.032 0.000 0.817 154 D CB 0.645 41.460 40.800 0.025 0.000 1.424 154 D HN -0.176 nan 8.370 nan 0.000 0.502 155 K N -0.331 120.083 120.400 0.024 0.000 2.097 155 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 155 K C 2.001 178.613 176.600 0.020 0.000 1.052 155 K CA 3.875 60.175 56.287 0.021 0.000 0.932 155 K CB -2.204 30.306 32.500 0.017 0.000 0.716 155 K HN 0.707 nan 8.250 nan 0.000 0.455 156 D N -0.737 119.674 120.400 0.019 0.000 2.277 156 D HA 0.343 4.983 4.640 -0.000 0.000 0.209 156 D C 1.327 177.639 176.300 0.019 0.000 0.970 156 D CA 1.278 55.288 54.000 0.017 0.000 0.874 156 D CB -0.134 nan 40.800 nan 0.000 0.982 156 D HN 0.869 nan 8.370 nan 0.000 0.504 157 K N 0.400 120.814 120.400 0.022 0.000 2.221 157 K HA 0.627 4.947 4.320 -0.000 0.000 0.258 157 K C -0.448 176.171 176.600 0.032 0.000 0.944 157 K CA -0.775 55.525 56.287 0.022 0.000 0.823 157 K CB 1.476 33.985 32.500 0.015 0.000 1.113 157 K HN 0.362 nan 8.250 nan 0.000 0.431 158 K N 2.806 123.226 120.400 0.034 0.000 2.207 158 K HA 0.447 4.767 4.320 -0.000 0.000 0.255 158 K C -0.376 176.245 176.600 0.035 0.000 0.941 158 K CA -0.596 55.722 56.287 0.051 0.000 0.825 158 K CB 1.118 33.654 32.500 0.059 0.000 1.119 158 K HN 0.747 nan 8.250 nan 0.000 0.430 159 M N 2.459 122.081 119.600 0.037 0.000 2.338 159 M HA -0.086 4.394 4.480 -0.000 0.000 0.360 159 M C 0.532 176.826 176.300 -0.011 0.000 1.547 159 M CA 0.779 56.070 55.300 -0.015 0.000 1.001 159 M CB -0.230 32.335 32.600 -0.058 0.000 2.008 159 M HN 0.716 nan 8.290 nan 0.000 0.464 160 N N 5.755 124.426 118.700 -0.048 0.000 2.414 160 N HA 0.566 5.306 4.740 -0.000 0.000 0.256 160 N C -0.766 174.664 175.510 -0.133 0.000 1.029 160 N CA -0.493 52.522 53.050 -0.057 0.000 0.948 160 N CB 0.418 38.872 38.487 -0.054 0.000 1.102 160 N HN 0.664 nan 8.380 nan 0.000 0.496 161 I N 2.706 123.182 120.570 -0.156 0.000 2.330 161 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 161 I C 1.405 177.372 176.117 -0.251 0.000 1.001 161 I CA -0.425 60.680 61.300 -0.324 0.000 1.193 161 I CB 1.837 39.562 38.000 -0.458 0.000 1.345 161 I HN 0.592 nan 8.210 nan 0.000 0.461 162 L N 4.153 125.207 121.223 -0.281 0.000 2.005 162 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 162 L C 0.360 177.102 176.870 -0.213 0.000 1.072 162 L CA 1.913 56.590 54.840 -0.272 0.000 0.744 162 L CB 0.222 42.037 42.059 -0.406 0.000 0.895 162 L HN 0.699 nan 8.230 nan 0.000 0.433 163 D N -1.993 118.284 120.400 -0.205 0.000 2.615 163 D HA 0.414 5.054 4.640 -0.000 0.000 0.267 163 D C -1.267 175.014 176.300 -0.031 0.000 1.236 163 D CA -0.402 53.577 54.000 -0.034 0.000 0.839 163 D CB 1.915 42.793 40.800 0.130 0.000 1.380 163 D HN -0.073 nan 8.370 nan 0.000 0.433 164 M N 2.002 121.672 119.600 0.116 0.000 2.183 164 M HA 0.422 4.902 4.480 -0.000 0.000 0.277 164 M C -1.225 175.299 176.300 0.374 0.000 0.995 164 M CA -0.486 54.950 55.300 0.226 0.000 0.969 164 M CB 2.074 34.794 32.600 0.200 0.000 1.659 164 M HN 0.122 nan 8.290 nan 0.000 0.462 165 L N 4.570 126.024 121.223 0.386 0.000 2.381 165 L HA 0.705 5.045 4.340 -0.000 0.000 0.268 165 L C -2.265 174.766 176.870 0.268 0.000 0.997 165 L CA -2.008 53.017 54.840 0.309 0.000 0.818 165 L CB 2.245 44.476 42.059 0.286 0.000 1.310 165 L HN 0.358 nan 8.230 nan 0.000 0.416 166 P HA 0.095 nan 4.420 nan 0.000 0.271 166 P C -1.209 176.292 177.300 0.334 0.000 1.216 166 P CA 0.166 63.251 63.100 -0.026 0.000 0.771 166 P CB 0.652 32.127 31.700 -0.375 0.000 0.864 167 F N 2.562 122.647 119.950 0.225 0.000 2.607 167 F HA 0.362 4.889 4.527 -0.000 0.000 0.322 167 F C -1.649 174.374 175.800 0.372 0.000 1.176 167 F CA -0.699 57.505 58.000 0.340 0.000 0.977 167 F CB 1.702 40.936 39.000 0.390 0.000 1.242 167 F HN 0.106 nan 8.300 nan 0.000 0.465 168 D N 4.607 124.931 120.400 -0.126 0.000 2.425 168 D HA 0.467 5.107 4.640 -0.000 0.000 0.240 168 D C 0.265 176.342 176.300 -0.371 0.000 1.080 168 D CA -0.050 53.966 54.000 0.027 0.000 0.836 168 D CB 2.234 43.345 40.800 0.518 0.000 1.125 168 D HN 0.713 nan 8.370 nan 0.000 0.525 169 A N 2.591 125.173 122.820 -0.397 0.000 2.238 169 A HA 0.001 4.321 4.320 -0.000 0.000 0.208 169 A C 1.859 179.347 177.584 -0.159 0.000 1.177 169 A CA 0.411 52.281 52.037 -0.279 0.000 0.804 169 A CB 0.038 19.016 19.000 -0.037 0.000 0.823 169 A HN 0.483 nan 8.150 nan 0.000 0.482 170 S N -0.442 115.075 115.700 -0.305 0.000 2.447 170 S HA 0.068 4.538 4.470 -0.000 0.000 0.233 170 S C -0.159 174.086 174.600 -0.591 0.000 1.006 170 S CA 0.636 58.504 58.200 -0.554 0.000 0.957 170 S CB -0.264 62.344 63.200 -0.988 0.000 0.773 170 S HN 0.491 nan 8.310 nan 0.000 0.507 171 F N 1.328 121.316 119.950 0.063 0.000 2.477 171 F HA 0.433 4.960 4.527 -0.000 0.000 0.335 171 F C 0.627 176.444 175.800 0.029 0.000 1.130 171 F CA -1.731 56.302 58.000 0.054 0.000 0.948 171 F CB 1.204 40.242 39.000 0.062 0.000 1.154 171 F HN -0.164 nan 8.300 nan 0.000 0.439 172 D N 0.463 121.006 120.400 0.238 0.000 2.120 172 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 172 D C 1.052 177.311 176.300 -0.070 0.000 0.972 172 D CA 1.466 55.554 54.000 0.146 0.000 0.837 172 D CB 0.279 41.269 40.800 0.317 0.000 0.989 172 D HN 0.585 nan 8.370 nan 0.000 0.469 173 T N -3.876 110.679 114.554 0.003 0.000 2.841 173 T HA 0.622 4.972 4.350 -0.000 0.000 0.296 173 T C 1.058 175.712 174.700 -0.076 0.000 1.166 173 T CA -0.207 61.841 62.100 -0.085 0.000 1.007 173 T CB 1.951 70.788 68.868 -0.051 0.000 1.253 173 T HN -0.101 nan 8.240 nan 0.000 0.511 174 A N 1.367 124.109 122.820 -0.129 0.000 1.927 174 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 174 A C 1.996 179.499 177.584 -0.135 0.000 1.185 174 A CA 2.050 53.986 52.037 -0.169 0.000 0.639 174 A CB -1.307 17.601 19.000 -0.152 0.000 0.820 174 A HN 0.807 nan 8.150 nan 0.000 0.451 175 N N 0.301 118.956 118.700 -0.075 0.000 2.571 175 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 175 N C 0.365 175.858 175.510 -0.029 0.000 1.154 175 N CA 0.874 53.894 53.050 -0.051 0.000 0.907 175 N CB -0.177 38.296 38.487 -0.024 0.000 0.977 175 N HN 0.482 nan 8.380 nan 0.000 0.449 176 D N -0.061 120.333 120.400 -0.009 0.000 2.348 176 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 176 D C 0.513 176.832 176.300 0.031 0.000 0.998 176 D CA 0.076 54.127 54.000 0.086 0.000 0.873 176 D CB 0.750 41.684 40.800 0.224 0.000 0.925 176 D HN 0.274 nan 8.370 nan 0.000 0.524 177 I N 3.380 123.779 120.570 -0.284 0.000 2.496 177 I HA -0.016 4.154 4.170 -0.000 0.000 0.285 177 I C 0.825 176.803 176.117 -0.232 0.000 1.080 177 I CA -0.511 60.428 61.300 -0.601 0.000 1.404 177 I CB 0.630 38.162 38.000 -0.780 0.000 1.403 177 I HN -0.119 nan 8.210 nan 0.000 0.539 178 D N 5.051 125.378 120.400 -0.122 0.000 2.354 178 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 178 D C 1.016 177.264 176.300 -0.087 0.000 1.138 178 D CA -0.064 53.906 54.000 -0.051 0.000 0.958 178 D CB 0.803 41.616 40.800 0.020 0.000 1.144 178 D HN 0.636 nan 8.370 nan 0.000 0.458 179 E N 0.460 120.627 120.200 -0.055 0.000 2.097 179 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 179 E C 2.114 178.682 176.600 -0.054 0.000 1.000 179 E CA 2.651 59.020 56.400 -0.051 0.000 0.804 179 E CB -1.587 nan 29.700 nan 0.000 0.740 179 E HN 0.784 nan 8.360 nan 0.000 0.454 180 E N 0.267 120.440 120.200 -0.045 0.000 2.118 180 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 180 E C 2.327 178.872 176.600 -0.092 0.000 0.992 180 E CA 1.936 58.309 56.400 -0.046 0.000 0.804 180 E CB -1.232 28.454 29.700 -0.024 0.000 0.741 180 E HN 0.638 nan 8.360 nan 0.000 0.458 181 T N -0.182 114.280 114.554 -0.153 0.000 2.814 181 T HA 0.120 4.470 4.350 -0.000 0.000 0.254 181 T C 2.566 177.102 174.700 -0.272 0.000 1.037 181 T CA 2.153 64.046 62.100 -0.345 0.000 1.143 181 T CB -0.433 68.171 68.868 -0.439 0.000 0.866 181 T HN 0.663 nan 8.240 nan 0.000 0.431 182 K N 1.671 121.968 120.400 -0.172 0.000 2.097 182 K HA -0.280 4.040 4.320 -0.000 0.000 0.214 182 K C 2.072 178.659 176.600 -0.021 0.000 1.052 182 K CA 2.617 58.863 56.287 -0.068 0.000 0.932 182 K CB -2.248 30.210 32.500 -0.070 0.000 0.716 182 K HN 0.713 nan 8.250 nan 0.000 0.455 183 N N 1.138 119.817 118.700 -0.035 0.000 2.463 183 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 183 N C 0.935 176.450 175.510 0.008 0.000 1.078 183 N CA 0.374 53.419 53.050 -0.009 0.000 0.902 183 N CB -0.357 38.122 38.487 -0.013 0.000 0.970 183 N HN 0.741 nan 8.380 nan 0.000 0.451 184 N N 0.659 119.361 118.700 0.005 0.000 2.458 184 N HA 0.019 4.759 4.740 -0.000 0.000 0.258 184 N C 1.645 177.204 175.510 0.083 0.000 1.219 184 N CA 0.734 53.813 53.050 0.048 0.000 0.902 184 N CB 0.883 39.414 38.487 0.074 0.000 1.076 184 N HN 0.521 nan 8.380 nan 0.000 0.455 185 K N 3.719 124.153 120.400 0.056 0.000 2.032 185 K HA -0.295 4.025 4.320 -0.000 0.000 0.218 185 K C 2.438 179.061 176.600 0.039 0.000 1.054 185 K CA 2.843 59.154 56.287 0.040 0.000 0.941 185 K CB -1.629 30.885 32.500 0.023 0.000 0.720 185 K HN 0.846 nan 8.250 nan 0.000 0.449 186 R N -0.464 120.054 120.500 0.031 0.000 2.115 186 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 186 R C 2.425 178.651 176.300 -0.122 0.000 1.111 186 R CA 1.924 57.987 56.100 -0.062 0.000 0.976 186 R CB -1.192 29.010 30.300 -0.163 0.000 0.870 186 R HN 0.797 nan 8.270 nan 0.000 0.445 187 Y N 0.346 120.564 120.300 -0.137 0.000 2.397 187 Y HA 0.017 4.567 4.550 -0.000 0.000 0.292 187 Y C 3.163 179.031 175.900 -0.053 0.000 1.115 187 Y CA 0.994 58.984 58.100 -0.183 0.000 1.208 187 Y CB -0.712 37.622 38.460 -0.211 0.000 1.046 187 Y HN 0.520 nan 8.280 nan 0.000 0.552 188 N N 0.534 119.317 118.700 0.138 0.000 2.137 188 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 188 N C 1.443 177.001 175.510 0.079 0.000 1.017 188 N CA 1.885 54.992 53.050 0.096 0.000 0.859 188 N CB -0.658 37.865 38.487 0.061 0.000 1.002 188 N HN 0.127 nan 8.380 nan 0.000 0.428 189 M N -0.186 119.449 119.600 0.059 0.000 2.505 189 M HA 0.426 4.906 4.480 -0.000 0.000 0.230 189 M C -0.318 176.011 176.300 0.049 0.000 1.153 189 M CA 0.145 55.475 55.300 0.051 0.000 0.997 189 M CB -0.846 31.781 32.600 0.045 0.000 1.606 189 M HN 0.302 nan 8.290 nan 0.000 0.481 190 L N 0.135 121.398 121.223 0.066 0.000 2.283 190 L HA 0.556 4.896 4.340 -0.000 0.000 0.259 190 L C -0.034 176.982 176.870 0.243 0.000 1.027 190 L CA -0.750 54.136 54.840 0.077 0.000 0.828 190 L CB 2.088 44.100 42.059 -0.079 0.000 1.380 190 L HN 0.144 nan 8.230 nan 0.000 0.425 191 Q N -0.480 119.451 119.800 0.217 0.000 2.590 191 Q HA 0.404 4.744 4.340 -0.000 0.000 0.295 191 Q C -1.089 174.889 176.000 -0.037 0.000 0.973 191 Q CA -0.912 54.934 55.803 0.072 0.000 0.768 191 Q CB 1.648 30.380 28.738 -0.010 0.000 1.479 191 Q HN 0.563 nan 8.270 nan 0.000 0.419 192 N N -0.096 118.433 118.700 -0.284 0.000 2.740 192 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 192 N C -0.589 174.856 175.510 -0.108 0.000 1.062 192 N CA 1.531 54.454 53.050 -0.210 0.000 0.704 192 N CB -1.518 36.914 38.487 -0.091 0.000 0.968 192 N HN 0.733 nan 8.380 nan 0.000 0.547 193 Y N -2.262 118.054 120.300 0.026 0.000 2.531 193 Y HA 0.314 4.864 4.550 0.000 0.000 0.249 193 Y C 1.219 177.169 175.900 0.083 0.000 1.168 193 Y CA -0.237 57.911 58.100 0.079 0.000 1.226 193 Y CB -0.515 37.979 38.460 0.057 0.000 1.177 193 Y HN 0.083 nan 8.280 nan 0.000 0.527 194 T N -1.954 112.566 114.554 -0.055 0.000 2.828 194 T HA 0.249 4.599 4.350 -0.000 0.000 0.290 194 T C 1.344 176.064 174.700 0.033 0.000 1.019 194 T CA -0.404 61.714 62.100 0.031 0.000 1.031 194 T CB 0.968 69.805 68.868 -0.052 0.000 1.001 194 T HN 0.312 nan 8.240 nan 0.000 0.531 195 I N 0.485 121.070 120.570 0.025 0.000 2.151 195 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 195 I C 2.858 178.983 176.117 0.013 0.000 1.080 195 I CA 2.126 63.543 61.300 0.195 0.000 1.339 195 I CB -0.472 37.670 38.000 0.237 0.000 1.039 195 I HN 0.895 nan 8.210 nan 0.000 0.409 196 E N 1.008 120.966 120.200 -0.405 0.000 2.072 196 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 196 E C 1.712 178.160 176.600 -0.254 0.000 0.985 196 E CA 1.460 57.526 56.400 -0.557 0.000 0.801 196 E CB 0.073 29.318 29.700 -0.758 0.000 0.750 196 E HN 0.406 nan 8.360 nan 0.000 0.452 197 D N 0.196 120.488 120.400 -0.179 0.000 2.123 197 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 197 D C 2.092 178.343 176.300 -0.081 0.000 0.992 197 D CA 1.136 55.060 54.000 -0.127 0.000 0.833 197 D CB -0.178 40.538 40.800 -0.140 0.000 0.954 197 D HN 0.136 nan 8.370 nan 0.000 0.455 198 V N 1.577 121.494 119.914 0.005 0.000 2.358 198 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 198 V C 2.595 178.578 176.094 -0.185 0.000 1.047 198 V CA 1.677 63.998 62.300 0.036 0.000 1.035 198 V CB -0.874 31.141 31.823 0.320 0.000 0.658 198 V HN 0.167 nan 8.190 nan 0.000 0.452 199 A N 0.784 123.359 122.820 -0.408 0.000 1.892 199 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 199 A C 2.090 179.441 177.584 -0.388 0.000 1.188 199 A CA 2.333 53.855 52.037 -0.857 0.000 0.631 199 A CB -0.771 17.613 19.000 -1.027 0.000 0.822 199 A HN 0.594 nan 8.150 nan 0.000 0.447 200 N N -0.317 118.242 118.700 -0.236 0.000 2.120 200 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 200 N C 1.567 177.035 175.510 -0.069 0.000 1.024 200 N CA 1.442 54.425 53.050 -0.113 0.000 0.852 200 N CB -0.628 37.803 38.487 -0.093 0.000 1.003 200 N HN 0.378 nan 8.380 nan 0.000 0.424 201 L N 1.442 122.612 121.223 -0.088 0.000 2.017 201 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 201 L C 2.017 178.844 176.870 -0.072 0.000 1.073 201 L CA 1.257 56.054 54.840 -0.071 0.000 0.745 201 L CB -0.653 41.381 42.059 -0.042 0.000 0.894 201 L HN 0.119 nan 8.230 nan 0.000 0.432 202 I N -1.389 119.149 120.570 -0.053 0.000 2.179 202 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 202 I C 2.575 178.715 176.117 0.039 0.000 1.088 202 I CA 1.583 62.908 61.300 0.043 0.000 1.357 202 I CB -0.636 37.371 38.000 0.012 0.000 1.051 202 I HN 0.444 nan 8.210 nan 0.000 0.409 203 H N 0.983 119.991 119.070 -0.103 0.000 2.387 203 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 203 H C 2.240 177.509 175.328 -0.098 0.000 1.090 203 H CA 1.982 57.978 56.048 -0.087 0.000 1.332 203 H CB 0.172 29.863 29.762 -0.118 0.000 1.386 203 H HN 0.431 nan 8.280 nan 0.000 0.516 204 Q N 0.717 120.428 119.800 -0.148 0.000 2.119 204 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 204 Q C 2.049 177.876 176.000 -0.287 0.000 0.972 204 Q CA 1.253 56.929 55.803 -0.212 0.000 0.847 204 Q CB 0.216 28.877 28.738 -0.128 0.000 0.903 204 Q HN 0.389 nan 8.270 nan 0.000 0.433 205 K N -1.072 119.097 120.400 -0.385 0.000 2.116 205 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 205 K C 0.861 176.986 176.600 -0.793 0.000 1.052 205 K CA 1.212 57.070 56.287 -0.714 0.000 0.952 205 K CB 0.276 32.078 32.500 -1.164 0.000 0.729 205 K HN 0.317 nan 8.250 nan 0.000 0.446 206 Y N -0.955 119.301 120.300 -0.073 0.000 2.499 206 Y HA 0.235 4.785 4.550 0.000 0.000 0.253 206 Y C 0.892 176.751 175.900 -0.069 0.000 1.105 206 Y CA -0.265 57.804 58.100 -0.052 0.000 1.240 206 Y CB 1.498 39.948 38.460 -0.017 0.000 1.289 206 Y HN 0.169 nan 8.280 nan 0.000 0.534 207 G N 1.499 110.267 108.800 -0.053 0.000 2.542 207 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.235 207 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.235 207 G C -0.644 174.320 174.900 0.106 0.000 1.286 207 G CA -0.807 44.234 45.100 -0.098 0.000 0.904 207 G HN 0.128 nan 8.290 nan 0.000 0.577 208 K N 0.522 121.008 120.400 0.144 0.000 2.218 208 K HA 0.558 4.878 4.320 -0.000 0.000 0.276 208 K C 0.916 177.589 176.600 0.121 0.000 1.022 208 K CA 0.218 56.609 56.287 0.174 0.000 0.946 208 K CB 0.882 33.460 32.500 0.131 0.000 1.000 208 K HN 0.668 nan 8.250 nan 0.000 0.468 209 I N -0.442 120.202 120.570 0.123 0.000 3.100 209 I HA 0.393 4.563 4.170 -0.000 0.000 0.312 209 I C 0.248 176.415 176.117 0.084 0.000 1.063 209 I CA -0.813 60.552 61.300 0.109 0.000 1.031 209 I CB 1.693 39.784 38.000 0.152 0.000 1.243 209 I HN 0.592 nan 8.210 nan 0.000 0.483 210 N N 2.179 120.918 118.700 0.066 0.000 2.143 210 N HA 0.308 5.048 4.740 -0.000 0.000 0.229 210 N C -0.773 174.756 175.510 0.032 0.000 1.294 210 N CA -0.214 52.862 53.050 0.043 0.000 0.883 210 N CB 0.646 39.148 38.487 0.026 0.000 1.148 210 N HN 0.742 nan 8.380 nan 0.000 0.511 211 M N 0.988 120.614 119.600 0.044 0.000 2.378 211 M HA 0.424 4.904 4.480 -0.000 0.000 0.289 211 M C -2.051 174.268 176.300 0.032 0.000 1.136 211 M CA -0.801 54.511 55.300 0.020 0.000 0.917 211 M CB 3.102 35.703 32.600 0.001 0.000 1.669 211 M HN -0.007 nan 8.290 nan 0.000 0.461 212 L N 3.654 124.874 121.223 -0.004 0.000 2.438 212 L HA 0.807 5.147 4.340 -0.000 0.000 0.270 212 L C -1.795 175.027 176.870 -0.081 0.000 0.972 212 L CA -0.521 54.297 54.840 -0.038 0.000 0.831 212 L CB 2.230 44.264 42.059 -0.042 0.000 1.273 212 L HN 0.516 nan 8.230 nan 0.000 0.405 213 V N 4.538 124.364 119.914 -0.146 0.000 2.444 213 V HA 0.394 4.514 4.120 -0.000 0.000 0.294 213 V C -0.751 175.232 176.094 -0.186 0.000 1.022 213 V CA -0.610 61.603 62.300 -0.145 0.000 0.850 213 V CB 1.440 33.168 31.823 -0.159 0.000 0.992 213 V HN 0.758 nan 8.190 nan 0.000 0.426 214 H N 3.704 122.661 119.070 -0.188 0.000 2.641 214 H HA 0.439 4.995 4.556 -0.000 0.000 0.295 214 H C -0.391 174.861 175.328 -0.128 0.000 1.070 214 H CA 0.051 56.001 56.048 -0.164 0.000 1.257 214 H CB 1.600 31.297 29.762 -0.107 0.000 1.393 214 H HN 0.608 nan 8.280 nan 0.000 0.464 215 S N 6.876 122.432 115.700 -0.239 0.000 2.327 215 S HA 0.321 4.791 4.470 -0.000 0.000 0.203 215 S C -1.238 173.253 174.600 -0.183 0.000 1.326 215 S CA -0.688 57.436 58.200 -0.127 0.000 1.248 215 S CB -0.997 62.133 63.200 -0.118 0.000 1.199 215 S HN 0.619 nan 8.310 nan 0.000 0.422 216 L N -0.347 120.722 121.223 -0.256 0.000 2.465 216 L HA 1.124 5.464 4.340 -0.000 0.000 0.257 216 L C -0.864 175.933 176.870 -0.123 0.000 0.988 216 L CA -0.878 53.819 54.840 -0.240 0.000 0.827 216 L CB 1.413 43.278 42.059 -0.324 0.000 1.397 216 L HN 0.142 nan 8.230 nan 0.000 0.410 217 A N 1.366 124.104 122.820 -0.135 0.000 2.612 217 A HA 0.864 5.184 4.320 -0.000 0.000 0.293 217 A C -1.653 175.816 177.584 -0.191 0.000 1.075 217 A CA -0.463 51.515 52.037 -0.097 0.000 0.680 217 A CB 1.669 20.650 19.000 -0.031 0.000 1.279 217 A HN 0.987 nan 8.150 nan 0.000 0.411 218 N N -1.243 117.350 118.700 -0.179 0.000 2.745 218 N HA 0.646 5.386 4.740 -0.000 0.000 0.256 218 N C -1.416 173.998 175.510 -0.160 0.000 1.268 218 N CA 0.072 52.995 53.050 -0.211 0.000 0.887 218 N CB 2.010 40.317 38.487 -0.299 0.000 1.575 218 N HN 1.540 nan 8.380 nan 0.000 0.496 219 A N 1.811 124.544 122.820 -0.145 0.000 2.522 219 A HA 0.207 4.527 4.320 -0.000 0.000 0.290 219 A C 0.224 177.752 177.584 -0.093 0.000 1.047 219 A CA -0.691 51.269 52.037 -0.128 0.000 0.935 219 A CB 0.651 19.548 19.000 -0.172 0.000 1.451 219 A HN 0.797 nan 8.150 nan 0.000 0.398 220 K N 1.048 121.413 120.400 -0.058 0.000 2.283 220 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 220 K C 0.224 176.806 176.600 -0.029 0.000 1.048 220 K CA 1.728 57.998 56.287 -0.028 0.000 0.948 220 K CB 0.279 32.777 32.500 -0.002 0.000 0.742 220 K HN 0.642 nan 8.250 nan 0.000 0.458 221 E N 1.229 121.404 120.200 -0.040 0.000 2.585 221 E HA 0.039 4.389 4.350 -0.000 0.000 0.206 221 E C 0.938 177.499 176.600 -0.065 0.000 1.007 221 E CA -0.240 56.139 56.400 -0.035 0.000 1.028 221 E CB 0.887 30.580 29.700 -0.011 0.000 1.087 221 E HN 0.054 nan 8.360 nan 0.000 0.455 222 V N 2.274 122.127 119.914 -0.101 0.000 2.439 222 V HA -0.293 3.827 4.120 -0.000 0.000 0.253 222 V C 2.208 178.222 176.094 -0.133 0.000 1.074 222 V CA 2.206 64.411 62.300 -0.158 0.000 1.076 222 V CB -0.093 31.610 31.823 -0.200 0.000 0.664 222 V HN 0.454 nan 8.190 nan 0.000 0.461 223 Q N -0.161 119.589 119.800 -0.084 0.000 2.444 223 Q HA 0.031 4.370 4.340 -0.000 0.000 0.206 223 Q C 0.549 176.523 176.000 -0.044 0.000 0.948 223 Q CA 0.422 56.188 55.803 -0.062 0.000 0.946 223 Q CB -0.130 28.586 28.738 -0.036 0.000 1.027 223 Q HN 0.556 nan 8.270 nan 0.000 0.513 224 K N 2.128 122.504 120.400 -0.040 0.000 2.118 224 K HA 0.223 4.543 4.320 -0.000 0.000 0.254 224 K C -0.638 175.948 176.600 -0.023 0.000 0.961 224 K CA -0.635 55.638 56.287 -0.023 0.000 0.876 224 K CB 0.958 33.451 32.500 -0.012 0.000 1.077 224 K HN 0.114 nan 8.250 nan 0.000 0.440 225 D N 0.702 121.096 120.400 -0.010 0.000 2.358 225 D HA -0.039 4.601 4.640 -0.000 0.000 0.244 225 D C 1.004 177.311 176.300 0.011 0.000 1.163 225 D CA -0.607 53.393 54.000 -0.001 0.000 0.945 225 D CB 0.568 41.371 40.800 0.005 0.000 1.152 225 D HN 0.241 nan 8.370 nan 0.000 0.451 226 L N 0.511 121.750 121.223 0.026 0.000 2.081 226 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 226 L C 1.895 178.781 176.870 0.026 0.000 1.080 226 L CA 1.585 56.454 54.840 0.049 0.000 0.754 226 L CB -0.536 41.564 42.059 0.067 0.000 0.893 226 L HN 0.638 nan 8.230 nan 0.000 0.433 227 L N -0.810 120.420 121.223 0.011 0.000 2.217 227 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 227 L C 1.200 178.065 176.870 -0.008 0.000 1.107 227 L CA 1.068 55.906 54.840 -0.004 0.000 0.783 227 L CB -0.317 41.740 42.059 -0.002 0.000 0.919 227 L HN 0.468 nan 8.230 nan 0.000 0.442 228 N N -0.799 117.900 118.700 -0.001 0.000 2.230 228 N HA 0.039 4.779 4.740 -0.000 0.000 0.202 228 N C 0.061 175.572 175.510 0.002 0.000 1.119 228 N CA 0.093 53.141 53.050 -0.003 0.000 0.851 228 N CB 0.447 38.933 38.487 -0.002 0.000 0.990 228 N HN 0.101 nan 8.380 nan 0.000 0.497 229 T N 1.323 115.883 114.554 0.011 0.000 2.851 229 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 229 T C 0.893 175.605 174.700 0.021 0.000 0.977 229 T CA -0.270 61.848 62.100 0.031 0.000 1.126 229 T CB 0.921 69.837 68.868 0.080 0.000 0.916 229 T HN 0.200 nan 8.240 nan 0.000 0.529 230 S N 3.356 119.072 115.700 0.026 0.000 2.645 230 S HA 0.285 4.755 4.470 -0.000 0.000 0.266 230 S C 1.407 176.029 174.600 0.036 0.000 1.258 230 S CA -0.900 57.310 58.200 0.016 0.000 0.990 230 S CB 1.018 64.227 63.200 0.015 0.000 0.967 230 S HN 0.770 nan 8.310 nan 0.000 0.556 231 R N 0.856 121.363 120.500 0.011 0.000 2.081 231 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 231 R C 2.585 178.931 176.300 0.077 0.000 1.131 231 R CA 1.914 58.029 56.100 0.026 0.000 0.960 231 R CB -1.126 29.171 30.300 -0.005 0.000 0.856 231 R HN 0.821 nan 8.270 nan 0.000 0.436 232 K N 0.039 120.468 120.400 0.048 0.000 2.026 232 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 232 K C 2.179 178.811 176.600 0.053 0.000 1.048 232 K CA 1.657 57.970 56.287 0.044 0.000 0.929 232 K CB -1.711 30.804 32.500 0.026 0.000 0.713 232 K HN 0.573 nan 8.250 nan 0.000 0.439 233 G N -0.798 108.036 108.800 0.057 0.000 2.418 233 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 233 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 233 G C 1.712 176.655 174.900 0.073 0.000 1.158 233 G CA 1.191 46.320 45.100 0.048 0.000 0.771 233 G HN 0.657 nan 8.290 nan 0.000 0.545 234 Y N 0.985 121.269 120.300 -0.026 0.000 2.145 234 Y HA -0.024 4.526 4.550 -0.000 0.000 0.286 234 Y C 2.608 178.497 175.900 -0.020 0.000 1.145 234 Y CA 1.426 59.512 58.100 -0.024 0.000 1.148 234 Y CB -0.137 38.312 38.460 -0.017 0.000 0.981 234 Y HN 0.097 nan 8.280 nan 0.000 0.507 235 L N -0.116 121.202 121.223 0.158 0.000 2.141 235 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 235 L C 2.070 178.926 176.870 -0.023 0.000 1.094 235 L CA 1.601 56.477 54.840 0.060 0.000 0.763 235 L CB -0.589 41.523 42.059 0.089 0.000 0.908 235 L HN 0.273 nan 8.230 nan 0.000 0.437 236 D N 0.231 120.620 120.400 -0.019 0.000 2.097 236 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 236 D C 2.210 178.462 176.300 -0.079 0.000 0.989 236 D CA 1.473 55.447 54.000 -0.043 0.000 0.827 236 D CB 0.137 40.919 40.800 -0.030 0.000 0.966 236 D HN 0.236 nan 8.370 nan 0.000 0.456 237 A N 0.488 123.239 122.820 -0.114 0.000 1.873 237 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 237 A C 2.267 179.762 177.584 -0.148 0.000 1.193 237 A CA 1.266 53.210 52.037 -0.154 0.000 0.629 237 A CB -0.937 17.935 19.000 -0.213 0.000 0.826 237 A HN 0.370 nan 8.150 nan 0.000 0.447 238 L N -0.216 120.890 121.223 -0.195 0.000 2.083 238 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 238 L C 2.867 179.731 176.870 -0.011 0.000 1.083 238 L CA 2.232 56.996 54.840 -0.126 0.000 0.752 238 L CB -1.438 40.525 42.059 -0.162 0.000 0.899 238 L HN 0.568 nan 8.230 nan 0.000 0.433 239 S N -0.278 115.416 115.700 -0.011 0.000 2.348 239 S HA -0.196 4.274 4.470 -0.000 0.000 0.221 239 S C 1.978 176.620 174.600 0.070 0.000 1.033 239 S CA 1.451 59.676 58.200 0.043 0.000 1.010 239 S CB 0.120 63.310 63.200 -0.017 0.000 0.891 239 S HN 0.379 nan 8.310 nan 0.000 0.442 240 K N 0.160 120.558 120.400 -0.004 0.000 2.186 240 K HA 0.182 4.502 4.320 -0.000 0.000 0.202 240 K C 2.100 178.709 176.600 0.015 0.000 1.052 240 K CA 1.159 57.431 56.287 -0.025 0.000 0.965 240 K CB 0.030 32.469 32.500 -0.101 0.000 0.746 240 K HN 0.268 nan 8.250 nan 0.000 0.457 241 S N -0.447 115.261 115.700 0.013 0.000 2.492 241 S HA 0.093 4.563 4.470 -0.000 0.000 0.218 241 S C 1.491 176.130 174.600 0.066 0.000 1.016 241 S CA 0.211 58.441 58.200 0.051 0.000 0.916 241 S CB 0.547 63.742 63.200 -0.009 0.000 0.791 241 S HN 0.091 nan 8.310 nan 0.000 0.513 242 S N -0.093 115.629 115.700 0.036 0.000 2.979 242 S HA 0.204 4.674 4.470 -0.000 0.000 0.243 242 S C 1.382 175.992 174.600 0.017 0.000 1.036 242 S CA -0.259 57.940 58.200 -0.002 0.000 0.846 242 S CB -0.626 62.577 63.200 0.004 0.000 0.806 242 S HN 0.452 nan 8.310 nan 0.000 0.568 243 Y N 3.987 124.286 120.300 -0.001 0.000 2.274 243 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 243 Y C 2.522 178.461 175.900 0.064 0.000 1.145 243 Y CA 1.422 59.536 58.100 0.023 0.000 1.203 243 Y CB -0.571 37.904 38.460 0.025 0.000 0.984 243 Y HN 0.382 nan 8.280 nan 0.000 0.533 244 S N -0.025 115.713 115.700 0.063 0.000 2.419 244 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 244 S C 2.067 176.716 174.600 0.081 0.000 1.019 244 S CA 1.416 59.684 58.200 0.114 0.000 0.982 244 S CB -0.957 62.397 63.200 0.256 0.000 0.789 244 S HN 0.600 nan 8.310 nan 0.000 0.490 245 L N 0.930 122.094 121.223 -0.099 0.000 2.044 245 L HA 0.057 4.397 4.340 -0.000 0.000 0.205 245 L C 2.390 179.157 176.870 -0.172 0.000 1.075 245 L CA 1.517 56.217 54.840 -0.234 0.000 0.747 245 L CB -0.523 41.242 42.059 -0.491 0.000 0.903 245 L HN 0.345 nan 8.230 nan 0.000 0.435 246 I N -0.480 119.925 120.570 -0.275 0.000 2.127 246 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 246 I C 2.831 178.778 176.117 -0.284 0.000 1.075 246 I CA 1.652 62.778 61.300 -0.291 0.000 1.334 246 I CB -0.490 37.287 38.000 -0.372 0.000 1.040 246 I HN 0.274 nan 8.210 nan 0.000 0.405 247 S N 0.876 116.302 115.700 -0.457 0.000 2.368 247 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 247 S C 2.133 176.866 174.600 0.222 0.000 1.030 247 S CA 1.231 59.376 58.200 -0.093 0.000 0.999 247 S CB -0.366 62.849 63.200 0.025 0.000 0.844 247 S HN 0.340 nan 8.310 nan 0.000 0.459 248 L N 0.644 121.995 121.223 0.213 0.000 2.043 248 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 248 L C 2.670 179.706 176.870 0.276 0.000 1.075 248 L CA 1.698 56.722 54.840 0.307 0.000 0.752 248 L CB -0.609 41.550 42.059 0.166 0.000 0.891 248 L HN 0.508 nan 8.230 nan 0.000 0.432 249 C N -0.633 118.731 119.300 0.108 0.000 2.453 249 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 249 C C 2.797 177.812 174.990 0.042 0.000 1.262 249 C CA 1.049 60.106 59.018 0.066 0.000 1.718 249 C CB -0.661 27.080 27.740 0.002 0.000 2.031 249 C HN 0.501 nan 8.230 nan 0.000 0.480 250 K N -0.194 120.189 120.400 -0.028 0.000 2.063 250 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 250 K C 1.642 178.104 176.600 -0.230 0.000 1.048 250 K CA 2.037 58.215 56.287 -0.181 0.000 0.928 250 K CB -0.411 31.901 32.500 -0.314 0.000 0.713 250 K HN 0.623 nan 8.250 nan 0.000 0.442 251 Y N -1.237 119.128 120.300 0.108 0.000 2.448 251 Y HA 0.070 4.620 4.550 -0.000 0.000 0.289 251 Y C 1.589 177.458 175.900 -0.052 0.000 1.114 251 Y CA 0.473 58.599 58.100 0.043 0.000 1.235 251 Y CB 0.159 38.670 38.460 0.085 0.000 1.045 251 Y HN -0.018 nan 8.280 nan 0.000 0.554 252 F N -1.064 118.933 119.950 0.079 0.000 2.416 252 F HA -0.123 4.404 4.527 0.000 0.000 0.296 252 F C 2.284 178.035 175.800 -0.082 0.000 1.099 252 F CA 0.631 58.637 58.000 0.010 0.000 1.427 252 F CB -0.383 38.647 39.000 0.049 0.000 1.079 252 F HN -0.102 nan 8.300 nan 0.000 0.536 253 V N -1.213 118.691 119.914 -0.017 0.000 2.324 253 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 253 V C 1.982 177.917 176.094 -0.265 0.000 1.060 253 V CA 2.149 64.309 62.300 -0.233 0.000 1.042 253 V CB -0.996 30.510 31.823 -0.529 0.000 0.650 253 V HN 0.340 nan 8.190 nan 0.000 0.450 254 N N 1.790 120.354 118.700 -0.227 0.000 2.258 254 N HA -0.116 4.624 4.740 -0.000 0.000 0.187 254 N C 1.608 176.972 175.510 -0.244 0.000 1.012 254 N CA 2.350 55.270 53.050 -0.217 0.000 0.870 254 N CB -0.362 38.007 38.487 -0.195 0.000 0.977 254 N HN 0.893 nan 8.380 nan 0.000 0.434 255 I N -3.178 117.255 120.570 -0.228 0.000 3.914 255 I HA 0.313 4.483 4.170 -0.000 0.000 0.333 255 I C 0.033 176.136 176.117 -0.024 0.000 1.449 255 I CA -0.185 60.994 61.300 -0.201 0.000 1.135 255 I CB 0.065 37.915 38.000 -0.250 0.000 1.073 255 I HN -0.194 nan 8.210 nan 0.000 0.401 256 M N 1.079 120.659 119.600 -0.033 0.000 2.578 256 M HA 0.506 4.986 4.480 -0.000 0.000 0.321 256 M C -0.283 176.019 176.300 0.003 0.000 1.182 256 M CA -0.620 54.688 55.300 0.013 0.000 0.965 256 M CB 2.273 34.883 32.600 0.017 0.000 1.694 256 M HN -0.000 nan 8.290 nan 0.000 0.461 257 K N 1.308 121.722 120.400 0.024 0.000 2.126 257 K HA 0.413 4.733 4.320 -0.000 0.000 0.257 257 K C -2.453 174.162 176.600 0.024 0.000 1.007 257 K CA -1.534 54.768 56.287 0.026 0.000 0.928 257 K CB 0.141 32.659 32.500 0.030 0.000 1.013 257 K HN 0.238 nan 8.250 nan 0.000 0.473 258 P HA -0.057 nan 4.420 nan 0.000 0.268 258 P C -0.823 176.495 177.300 0.029 0.000 1.208 258 P CA 0.393 63.520 63.100 0.045 0.000 0.777 258 P CB 0.405 32.132 31.700 0.045 0.000 0.875 259 Q N -2.135 117.682 119.800 0.028 0.000 2.481 259 Q HA -0.176 4.164 4.340 -0.000 0.000 0.258 259 Q C -0.059 175.943 176.000 0.002 0.000 0.961 259 Q CA 0.498 56.307 55.803 0.010 0.000 1.121 259 Q CB -2.334 26.406 28.738 0.003 0.000 1.503 259 Q HN 0.402 nan 8.270 nan 0.000 0.544 260 S N -0.304 115.401 115.700 0.010 0.000 2.634 260 S HA 0.508 4.978 4.470 -0.000 0.000 0.261 260 S C 0.115 174.711 174.600 -0.007 0.000 1.271 260 S CA -0.303 57.900 58.200 0.004 0.000 0.985 260 S CB 1.759 64.967 63.200 0.014 0.000 0.968 260 S HN 0.312 nan 8.310 nan 0.000 0.568 261 S N -0.097 115.595 115.700 -0.014 0.000 2.546 261 S HA 0.725 5.195 4.470 -0.000 0.000 0.274 261 S C -1.449 173.136 174.600 -0.025 0.000 1.121 261 S CA -0.708 57.474 58.200 -0.029 0.000 0.887 261 S CB 0.398 63.563 63.200 -0.057 0.000 1.094 261 S HN 0.534 nan 8.310 nan 0.000 0.474 262 I N 4.390 124.943 120.570 -0.029 0.000 2.619 262 I HA 0.595 4.765 4.170 -0.000 0.000 0.292 262 I C -0.860 175.233 176.117 -0.040 0.000 1.100 262 I CA -0.956 60.325 61.300 -0.031 0.000 1.043 262 I CB 1.977 39.963 38.000 -0.023 0.000 1.239 262 I HN 0.696 nan 8.210 nan 0.000 0.420 263 I N 2.100 122.643 120.570 -0.044 0.000 2.969 263 I HA 0.851 5.021 4.170 -0.000 0.000 0.307 263 I C -0.298 175.799 176.117 -0.034 0.000 1.149 263 I CA -0.336 60.937 61.300 -0.046 0.000 1.008 263 I CB 2.356 40.327 38.000 -0.050 0.000 1.232 263 I HN 0.601 nan 8.210 nan 0.000 0.435 264 S N 3.812 119.487 115.700 -0.042 0.000 2.740 264 S HA 0.831 5.301 4.470 -0.000 0.000 0.300 264 S C -1.004 173.582 174.600 -0.023 0.000 1.147 264 S CA -0.948 57.248 58.200 -0.006 0.000 0.871 264 S CB 1.638 64.779 63.200 -0.099 0.000 1.173 264 S HN 0.706 nan 8.310 nan 0.000 0.510 265 L N 0.805 122.039 121.223 0.018 0.000 2.346 265 L HA 0.759 5.099 4.340 -0.000 0.000 0.276 265 L C 0.129 177.008 176.870 0.016 0.000 1.006 265 L CA -0.343 54.485 54.840 -0.020 0.000 0.817 265 L CB 2.170 44.216 42.059 -0.022 0.000 1.272 265 L HN 0.925 nan 8.230 nan 0.000 0.421 266 T N 0.434 114.983 114.554 -0.008 0.000 2.693 266 T HA 0.623 4.973 4.350 -0.000 0.000 0.278 266 T C -1.977 172.798 174.700 0.126 0.000 0.994 266 T CA -0.322 61.806 62.100 0.047 0.000 1.033 266 T CB 1.544 70.404 68.868 -0.013 0.000 1.342 266 T HN 0.403 nan 8.240 nan 0.000 0.538 267 Y N -0.049 120.230 120.300 -0.034 0.000 2.513 267 Y HA 0.432 4.982 4.550 -0.000 0.000 0.340 267 Y C 0.490 176.384 175.900 -0.009 0.000 1.055 267 Y CA -0.934 57.137 58.100 -0.048 0.000 1.020 267 Y CB 1.471 39.850 38.460 -0.135 0.000 1.301 267 Y HN 0.899 nan 8.280 nan 0.000 0.453 268 H N 3.660 122.335 119.070 -0.658 0.000 2.543 268 H HA 0.038 4.594 4.556 -0.000 0.000 0.286 268 H C 1.653 176.717 175.328 -0.439 0.000 1.037 268 H CA 1.565 57.388 56.048 -0.376 0.000 1.250 268 H CB 0.129 29.770 29.762 -0.201 0.000 1.373 268 H HN 0.716 nan 8.280 nan 0.000 0.580 269 A N -0.305 122.069 122.820 -0.744 0.000 2.131 269 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 269 A C 2.506 179.995 177.584 -0.158 0.000 1.158 269 A CA 1.422 53.225 52.037 -0.389 0.000 0.665 269 A CB -0.715 18.064 19.000 -0.369 0.000 0.795 269 A HN 0.623 nan 8.150 nan 0.000 0.460 270 S N -1.210 114.413 115.700 -0.129 0.000 2.428 270 S HA -0.127 4.343 4.470 -0.000 0.000 0.230 270 S C 1.707 176.257 174.600 -0.083 0.000 1.014 270 S CA 1.184 59.362 58.200 -0.037 0.000 0.957 270 S CB -0.122 63.078 63.200 0.000 0.000 0.784 270 S HN 0.593 nan 8.310 nan 0.000 0.499 271 Q N 0.321 119.999 119.800 -0.202 0.000 2.423 271 Q HA 0.382 4.722 4.340 -0.000 0.000 0.231 271 Q C -0.058 175.774 176.000 -0.278 0.000 0.894 271 Q CA 0.721 56.392 55.803 -0.220 0.000 0.938 271 Q CB 0.292 28.902 28.738 -0.213 0.000 1.079 271 Q HN 0.405 nan 8.270 nan 0.000 0.552 272 K N 0.808 120.955 120.400 -0.421 0.000 2.426 272 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 272 K C -0.634 175.866 176.600 -0.166 0.000 0.941 272 K CA -0.854 55.270 56.287 -0.272 0.000 0.808 272 K CB 2.853 35.177 32.500 -0.293 0.000 1.265 272 K HN -0.205 nan 8.250 nan 0.000 0.432 273 V N 2.046 121.921 119.914 -0.063 0.000 2.479 273 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 273 V C 0.122 176.228 176.094 0.021 0.000 1.031 273 V CA -0.449 61.846 62.300 -0.008 0.000 1.038 273 V CB 0.739 32.571 31.823 0.016 0.000 0.981 273 V HN 0.357 nan 8.190 nan 0.000 0.478 274 V N 8.056 128.009 119.914 0.065 0.000 2.305 274 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 274 V C -1.293 174.906 176.094 0.175 0.000 1.020 274 V CA -1.118 61.276 62.300 0.156 0.000 0.811 274 V CB 1.244 33.207 31.823 0.234 0.000 1.031 274 V HN 0.702 nan 8.190 nan 0.000 0.439 275 P HA -0.190 nan 4.420 nan 0.000 0.217 275 P C 1.600 178.947 177.300 0.078 0.000 1.162 275 P CA 1.827 64.982 63.100 0.091 0.000 0.901 275 P CB 0.214 31.954 31.700 0.067 0.000 0.793 276 G N -3.120 105.736 108.800 0.094 0.000 2.848 276 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.208 276 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.208 276 G C 0.022 174.809 174.900 -0.187 0.000 1.152 276 G CA -0.134 44.939 45.100 -0.046 0.000 0.789 276 G HN 0.247 nan 8.290 nan 0.000 0.531 277 Y N 2.530 122.693 120.300 -0.229 0.000 2.667 277 Y HA 0.486 5.036 4.550 -0.000 0.000 0.340 277 Y C 1.098 176.938 175.900 -0.101 0.000 1.303 277 Y CA -1.003 56.968 58.100 -0.215 0.000 1.769 277 Y CB -0.291 38.147 38.460 -0.038 0.000 1.804 277 Y HN 0.057 nan 8.280 nan 0.000 0.451 278 G N 0.436 109.122 108.800 -0.189 0.000 2.531 278 G HA2 0.435 4.395 3.960 -0.000 0.000 0.281 278 G HA3 0.435 4.395 3.960 -0.000 0.000 0.281 278 G C 0.771 175.569 174.900 -0.170 0.000 1.382 278 G CA -0.414 44.611 45.100 -0.125 0.000 1.045 278 G HN 0.977 nan 8.290 nan 0.000 0.533 279 G N -2.322 106.429 108.800 -0.081 0.000 2.155 279 G HA2 0.216 4.176 3.960 -0.000 0.000 0.257 279 G HA3 0.216 4.176 3.960 -0.000 0.000 0.257 279 G C 1.469 176.335 174.900 -0.057 0.000 0.983 279 G CA 1.167 46.228 45.100 -0.065 0.000 0.676 279 G HN 2.547 nan 8.290 nan 0.000 0.528 280 G N -1.516 107.264 108.800 -0.034 0.000 2.157 280 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 280 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 280 G C 1.246 176.034 174.900 -0.186 0.000 0.979 280 G CA 1.055 46.104 45.100 -0.085 0.000 0.650 280 G HN 0.668 nan 8.290 nan 0.000 0.529 281 M N 1.570 121.033 119.600 -0.230 0.000 2.149 281 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 281 M C 2.847 179.160 176.300 0.021 0.000 1.064 281 M CA 2.411 57.535 55.300 -0.293 0.000 1.102 281 M CB -1.327 30.773 32.600 -0.832 0.000 1.369 281 M HN 0.759 nan 8.290 nan 0.000 0.408 282 S N -0.401 115.390 115.700 0.152 0.000 2.368 282 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 282 S C 2.011 176.692 174.600 0.135 0.000 1.029 282 S CA 1.535 59.919 58.200 0.308 0.000 0.988 282 S CB -0.665 62.693 63.200 0.264 0.000 0.838 282 S HN 0.447 nan 8.310 nan 0.000 0.462 283 S N 2.912 118.647 115.700 0.058 0.000 2.368 283 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 283 S C 2.336 176.912 174.600 -0.039 0.000 1.030 283 S CA 0.981 59.191 58.200 0.015 0.000 0.999 283 S CB -0.911 62.272 63.200 -0.028 0.000 0.844 283 S HN 0.777 nan 8.310 nan 0.000 0.459 284 A N 2.212 124.979 122.820 -0.087 0.000 1.902 284 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 284 A C 2.086 179.673 177.584 0.004 0.000 1.181 284 A CA 1.227 53.220 52.037 -0.073 0.000 0.623 284 A CB -0.337 18.607 19.000 -0.093 0.000 0.818 284 A HN 0.215 nan 8.150 nan 0.000 0.443 285 K N 0.078 120.520 120.400 0.069 0.000 2.097 285 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 285 K C 2.187 178.815 176.600 0.046 0.000 1.050 285 K CA 1.276 57.616 56.287 0.088 0.000 0.938 285 K CB -0.880 31.726 32.500 0.178 0.000 0.718 285 K HN 0.454 nan 8.250 nan 0.000 0.442 286 A N 1.390 124.236 122.820 0.043 0.000 1.902 286 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 286 A C 2.404 180.000 177.584 0.020 0.000 1.181 286 A CA 2.023 54.077 52.037 0.029 0.000 0.623 286 A CB -0.557 18.464 19.000 0.034 0.000 0.818 286 A HN 0.282 nan 8.150 nan 0.000 0.443 287 A N -0.612 122.217 122.820 0.015 0.000 1.898 287 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 287 A C 2.121 179.706 177.584 0.002 0.000 1.181 287 A CA 1.574 53.619 52.037 0.013 0.000 0.620 287 A CB -0.593 18.414 19.000 0.010 0.000 0.819 287 A HN 0.643 nan 8.150 nan 0.000 0.442 288 L N 0.151 121.367 121.223 -0.012 0.000 2.042 288 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 288 L C 2.173 179.023 176.870 -0.033 0.000 1.076 288 L CA 2.442 57.258 54.840 -0.040 0.000 0.749 288 L CB -0.499 41.530 42.059 -0.050 0.000 0.893 288 L HN 0.520 nan 8.230 nan 0.000 0.432 289 E N -1.431 118.760 120.200 -0.016 0.000 2.106 289 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 289 E C 2.247 178.846 176.600 -0.002 0.000 0.984 289 E CA 1.189 57.582 56.400 -0.013 0.000 0.806 289 E CB -0.142 29.556 29.700 -0.004 0.000 0.750 289 E HN 0.531 nan 8.360 nan 0.000 0.458 290 S N 0.690 116.394 115.700 0.006 0.000 2.357 290 S HA -0.151 4.319 4.470 -0.000 0.000 0.221 290 S C 1.464 176.075 174.600 0.018 0.000 1.031 290 S CA 1.238 59.446 58.200 0.013 0.000 0.982 290 S CB -0.176 63.035 63.200 0.018 0.000 0.853 290 S HN 0.125 nan 8.310 nan 0.000 0.458 291 D N 0.989 121.398 120.400 0.014 0.000 2.158 291 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 291 D C 1.978 178.287 176.300 0.015 0.000 0.995 291 D CA 1.492 55.503 54.000 0.019 0.000 0.846 291 D CB -0.934 39.865 40.800 -0.002 0.000 0.941 291 D HN 0.405 nan 8.370 nan 0.000 0.456 292 T N 0.556 115.106 114.554 -0.006 0.000 2.788 292 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 292 T C 1.996 176.707 174.700 0.019 0.000 1.044 292 T CA 0.939 63.034 62.100 -0.007 0.000 1.139 292 T CB 0.050 68.903 68.868 -0.026 0.000 0.867 292 T HN 0.179 nan 8.240 nan 0.000 0.454 293 R N 0.207 120.721 120.500 0.022 0.000 2.062 293 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 293 R C 2.561 178.894 176.300 0.056 0.000 1.136 293 R CA 1.064 57.182 56.100 0.031 0.000 0.948 293 R CB -0.725 29.585 30.300 0.016 0.000 0.845 293 R HN 0.227 nan 8.270 nan 0.000 0.430 294 V N 1.767 121.720 119.914 0.064 0.000 2.295 294 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 294 V C 2.362 178.576 176.094 0.201 0.000 1.049 294 V CA 1.693 64.058 62.300 0.109 0.000 1.024 294 V CB -0.481 31.422 31.823 0.133 0.000 0.648 294 V HN 0.282 nan 8.190 nan 0.000 0.447 295 L N 0.127 121.451 121.223 0.169 0.000 2.042 295 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 295 L C 2.758 179.708 176.870 0.134 0.000 1.076 295 L CA 1.587 56.530 54.840 0.171 0.000 0.749 295 L CB -0.850 41.260 42.059 0.084 0.000 0.893 295 L HN 0.368 nan 8.230 nan 0.000 0.432 296 A N -0.532 122.342 122.820 0.091 0.000 1.908 296 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 296 A C 2.196 179.819 177.584 0.066 0.000 1.181 296 A CA 1.915 53.991 52.037 0.066 0.000 0.627 296 A CB -0.978 18.052 19.000 0.050 0.000 0.818 296 A HN 0.518 nan 8.150 nan 0.000 0.445 297 Y N 0.088 120.351 120.300 -0.063 0.000 2.070 297 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 297 Y C 2.661 178.477 175.900 -0.139 0.000 1.148 297 Y CA 2.371 60.386 58.100 -0.143 0.000 1.125 297 Y CB -0.382 37.925 38.460 -0.254 0.000 0.975 297 Y HN 0.477 nan 8.280 nan 0.000 0.492 298 H N 0.155 119.201 119.070 -0.040 0.000 2.293 298 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 298 H C 2.383 177.657 175.328 -0.089 0.000 1.082 298 H CA 2.103 58.078 56.048 -0.121 0.000 1.308 298 H CB -0.636 29.155 29.762 0.048 0.000 1.375 298 H HN 0.398 nan 8.280 nan 0.000 0.495 299 L N -0.078 121.236 121.223 0.151 0.000 2.141 299 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 299 L C 2.816 179.742 176.870 0.094 0.000 1.094 299 L CA 0.962 55.923 54.840 0.203 0.000 0.763 299 L CB -0.631 41.524 42.059 0.160 0.000 0.908 299 L HN 0.273 nan 8.230 nan 0.000 0.437 300 G N -0.293 108.501 108.800 -0.010 0.000 2.404 300 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 300 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 300 G C 1.748 176.579 174.900 -0.113 0.000 1.189 300 G CA 0.110 45.183 45.100 -0.045 0.000 0.789 300 G HN 0.113 nan 8.290 nan 0.000 0.533 301 R N 0.450 120.805 120.500 -0.242 0.000 2.092 301 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 301 R C 2.488 178.636 176.300 -0.253 0.000 1.119 301 R CA 1.523 57.456 56.100 -0.277 0.000 0.970 301 R CB -1.396 28.623 30.300 -0.468 0.000 0.864 301 R HN 0.510 nan 8.270 nan 0.000 0.440 302 N N -0.279 118.232 118.700 -0.313 0.000 2.368 302 N HA -0.076 4.664 4.740 -0.000 0.000 0.176 302 N C 1.249 176.375 175.510 -0.639 0.000 1.021 302 N CA 0.872 53.598 53.050 -0.540 0.000 0.888 302 N CB -0.076 37.962 38.487 -0.749 0.000 0.995 302 N HN 0.334 nan 8.380 nan 0.000 0.437 303 Y N -1.550 118.723 120.300 -0.045 0.000 2.610 303 Y HA 0.387 4.937 4.550 -0.000 0.000 0.254 303 Y C 0.813 176.697 175.900 -0.027 0.000 1.110 303 Y CA -0.768 57.315 58.100 -0.029 0.000 1.238 303 Y CB 0.544 38.993 38.460 -0.018 0.000 1.322 303 Y HN 0.168 nan 8.280 nan 0.000 0.547 304 N N 1.625 120.369 118.700 0.072 0.000 2.735 304 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 304 N C -0.751 174.792 175.510 0.055 0.000 1.083 304 N CA 0.504 53.579 53.050 0.041 0.000 0.703 304 N CB -0.907 37.596 38.487 0.027 0.000 1.005 304 N HN 0.358 nan 8.380 nan 0.000 0.550 305 I N 1.290 121.909 120.570 0.082 0.000 2.412 305 I HA 0.302 4.472 4.170 -0.000 0.000 0.296 305 I C 0.758 176.894 176.117 0.033 0.000 0.987 305 I CA -0.625 60.709 61.300 0.055 0.000 1.180 305 I CB 1.531 39.570 38.000 0.066 0.000 1.340 305 I HN -0.061 nan 8.210 nan 0.000 0.455 306 R N 5.712 126.217 120.500 0.007 0.000 2.500 306 R HA 0.726 5.066 4.340 -0.000 0.000 0.277 306 R C -0.780 175.515 176.300 -0.007 0.000 1.026 306 R CA -0.706 55.391 56.100 -0.005 0.000 1.058 306 R CB 2.032 32.315 30.300 -0.027 0.000 1.078 306 R HN 0.540 nan 8.270 nan 0.000 0.509 307 I N 1.204 121.770 120.570 -0.006 0.000 2.644 307 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 307 I C -1.518 174.589 176.117 -0.018 0.000 1.180 307 I CA -0.578 60.714 61.300 -0.014 0.000 1.040 307 I CB 1.822 39.819 38.000 -0.005 0.000 1.255 307 I HN 0.674 nan 8.210 nan 0.000 0.422 308 N N 3.412 122.094 118.700 -0.030 0.000 2.697 308 N HA 0.462 5.202 4.740 -0.000 0.000 0.272 308 N C -1.517 173.966 175.510 -0.045 0.000 1.381 308 N CA -0.531 52.501 53.050 -0.030 0.000 0.797 308 N CB 2.424 40.896 38.487 -0.025 0.000 1.523 308 N HN 0.476 nan 8.380 nan 0.000 0.518 309 T N 0.346 114.868 114.554 -0.053 0.000 2.886 309 T HA 0.610 4.960 4.350 -0.000 0.000 0.292 309 T C -1.025 173.613 174.700 -0.103 0.000 1.012 309 T CA -0.501 61.554 62.100 -0.075 0.000 0.982 309 T CB 0.597 69.418 68.868 -0.078 0.000 1.018 309 T HN 0.284 nan 8.240 nan 0.000 0.451 310 I N 3.517 124.016 120.570 -0.118 0.000 2.321 310 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 310 I C 0.470 176.460 176.117 -0.211 0.000 0.998 310 I CA -0.554 60.652 61.300 -0.157 0.000 1.227 310 I CB 1.782 39.694 38.000 -0.148 0.000 1.368 310 I HN 0.483 nan 8.210 nan 0.000 0.466 311 S N 5.959 121.460 115.700 -0.331 0.000 2.409 311 S HA 0.574 5.044 4.470 -0.000 0.000 0.308 311 S C 0.109 174.587 174.600 -0.203 0.000 1.080 311 S CA -0.632 57.342 58.200 -0.377 0.000 1.081 311 S CB 0.046 62.676 63.200 -0.950 0.000 1.009 311 S HN 0.648 nan 8.310 nan 0.000 0.502 312 A N 4.124 126.888 122.820 -0.094 0.000 2.302 312 A HA 0.743 5.063 4.320 -0.000 0.000 0.285 312 A C 0.914 178.606 177.584 0.179 0.000 1.105 312 A CA -0.233 51.767 52.037 -0.062 0.000 0.816 312 A CB 0.257 19.036 19.000 -0.368 0.000 1.067 312 A HN 0.863 nan 8.150 nan 0.000 0.489 313 G N 0.414 109.331 108.800 0.195 0.000 2.588 313 G HA2 0.529 4.489 3.960 -0.000 0.000 0.278 313 G HA3 0.529 4.489 3.960 -0.000 0.000 0.278 313 G C -2.451 172.617 174.900 0.281 0.000 1.307 313 G CA -1.126 44.134 45.100 0.266 0.000 1.016 313 G HN 0.623 nan 8.290 nan 0.000 0.503 314 P HA 0.343 nan 4.420 nan 0.000 0.275 314 P C -1.091 176.257 177.300 0.080 0.000 1.227 314 P CA -0.253 62.916 63.100 0.114 0.000 0.781 314 P CB 1.698 33.429 31.700 0.053 0.000 0.906 315 L N 2.217 123.437 121.223 -0.005 0.000 2.436 315 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 315 L C 0.058 176.854 176.870 -0.124 0.000 0.974 315 L CA -0.685 54.075 54.840 -0.135 0.000 0.826 315 L CB 2.104 43.867 42.059 -0.492 0.000 1.291 315 L HN 0.208 nan 8.230 nan 0.000 0.406 316 K N 3.221 123.565 120.400 -0.094 0.000 2.121 316 K HA 0.266 4.586 4.320 -0.000 0.000 0.235 316 K C -0.189 176.360 176.600 -0.085 0.000 1.200 316 K CA 0.001 56.251 56.287 -0.061 0.000 1.115 316 K CB -0.105 32.373 32.500 -0.037 0.000 1.474 316 K HN 0.784 nan 8.250 nan 0.000 0.295 317 S N 1.006 116.646 115.700 -0.101 0.000 2.730 317 S HA 0.262 4.732 4.470 -0.000 0.000 0.284 317 S C 1.229 175.798 174.600 -0.050 0.000 1.153 317 S CA -0.972 57.165 58.200 -0.105 0.000 0.995 317 S CB 1.784 64.895 63.200 -0.148 0.000 1.058 317 S HN 0.506 nan 8.310 nan 0.000 0.552 318 R N 0.602 121.078 120.500 -0.041 0.000 2.122 318 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 318 R C 2.399 178.697 176.300 -0.003 0.000 1.129 318 R CA 2.246 58.341 56.100 -0.009 0.000 0.925 318 R CB -1.696 28.610 30.300 0.010 0.000 0.850 318 R HN 0.886 nan 8.270 nan 0.000 0.431 319 A N 0.652 123.462 122.820 -0.017 0.000 1.908 319 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 319 A C 2.439 180.023 177.584 -0.001 0.000 1.181 319 A CA 2.231 54.256 52.037 -0.021 0.000 0.627 319 A CB -0.823 18.149 19.000 -0.046 0.000 0.818 319 A HN 0.578 nan 8.150 nan 0.000 0.445 320 A N -0.899 121.928 122.820 0.013 0.000 1.948 320 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 320 A C 2.192 179.831 177.584 0.092 0.000 1.177 320 A CA 2.320 54.397 52.037 0.065 0.000 0.636 320 A CB -1.334 17.697 19.000 0.052 0.000 0.815 320 A HN 0.462 nan 8.150 nan 0.000 0.449 321 T N 0.024 114.611 114.554 0.054 0.000 3.051 321 T HA 0.158 4.508 4.350 -0.000 0.000 0.269 321 T C 1.864 176.596 174.700 0.053 0.000 1.127 321 T CA 0.952 63.088 62.100 0.060 0.000 1.107 321 T CB -0.204 68.686 68.868 0.038 0.000 0.898 321 T HN 0.591 nan 8.240 nan 0.000 0.517 322 A N 0.959 123.799 122.820 0.032 0.000 2.067 322 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 322 A C 0.989 178.569 177.584 -0.006 0.000 1.156 322 A CA 0.209 52.252 52.037 0.010 0.000 0.683 322 A CB -0.399 18.594 19.000 -0.012 0.000 0.808 322 A HN 0.528 nan 8.150 nan 0.000 0.455 323 I N 1.316 121.886 120.570 -0.000 0.000 2.638 323 I HA 0.134 4.304 4.170 -0.000 0.000 0.286 323 I C -0.420 175.717 176.117 0.033 0.000 1.088 323 I CA -0.492 60.765 61.300 -0.071 0.000 1.397 323 I CB 0.469 38.327 38.000 -0.237 0.000 1.414 323 I HN 0.159 nan 8.210 nan 0.000 0.566 324 N N 3.680 122.374 118.700 -0.010 0.000 2.384 324 N HA 0.492 5.232 4.740 -0.000 0.000 0.301 324 N C -0.084 175.495 175.510 0.114 0.000 1.133 324 N CA -0.605 52.488 53.050 0.072 0.000 0.853 324 N CB 1.522 40.027 38.487 0.030 0.000 1.241 324 N HN 0.594 nan 8.380 nan 0.000 0.502 368 F N 4.024 124.019 119.950 0.075 0.000 2.043 368 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 368 F C 1.831 177.723 175.800 0.154 0.000 1.118 368 F CA 2.441 60.507 58.000 0.111 0.000 1.202 368 F CB -0.197 38.856 39.000 0.089 0.000 0.965 368 F HN 0.603 nan 8.300 nan 0.000 0.482 369 I N 0.870 121.505 120.570 0.108 0.000 2.361 369 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 369 I C 1.961 178.034 176.117 -0.072 0.000 1.133 369 I CA 1.595 62.877 61.300 -0.031 0.000 1.413 369 I CB -0.905 37.161 38.000 0.110 0.000 1.073 369 I HN 0.213 nan 8.210 nan 0.000 0.424 370 D N -0.798 119.602 120.400 0.001 0.000 2.117 370 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 370 D C 1.966 178.274 176.300 0.013 0.000 0.982 370 D CA 1.322 55.329 54.000 0.012 0.000 0.828 370 D CB -0.315 40.510 40.800 0.043 0.000 0.967 370 D HN 0.447 nan 8.370 nan 0.000 0.464 371 Y N 1.934 122.173 120.300 -0.102 0.000 2.145 371 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 371 Y C 2.309 178.140 175.900 -0.114 0.000 1.145 371 Y CA 1.839 59.884 58.100 -0.091 0.000 1.148 371 Y CB -0.323 38.074 38.460 -0.106 0.000 0.981 371 Y HN -0.069 nan 8.280 nan 0.000 0.507 372 A N 0.328 122.987 122.820 -0.268 0.000 1.933 372 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 372 A C 2.298 179.803 177.584 -0.131 0.000 1.175 372 A CA 1.988 53.850 52.037 -0.291 0.000 0.628 372 A CB -1.074 17.674 19.000 -0.420 0.000 0.814 372 A HN 0.596 nan 8.150 nan 0.000 0.444 373 I N -0.544 119.961 120.570 -0.108 0.000 2.233 373 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 373 I C 3.090 179.170 176.117 -0.061 0.000 1.093 373 I CA 1.355 62.625 61.300 -0.051 0.000 1.380 373 I CB -0.612 37.364 38.000 -0.040 0.000 1.067 373 I HN 0.524 nan 8.210 nan 0.000 0.413 374 E N 0.545 120.689 120.200 -0.093 0.000 2.077 374 E HA -0.328 4.022 4.350 -0.000 0.000 0.193 374 E C 1.984 178.498 176.600 -0.142 0.000 0.989 374 E CA 1.681 58.015 56.400 -0.111 0.000 0.800 374 E CB -1.306 28.337 29.700 -0.095 0.000 0.746 374 E HN 0.637 nan 8.360 nan 0.000 0.452 375 Y N 0.871 120.987 120.300 -0.305 0.000 2.145 375 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 375 Y C 2.994 178.865 175.900 -0.049 0.000 1.145 375 Y CA 2.142 60.122 58.100 -0.200 0.000 1.148 375 Y CB -0.474 37.748 38.460 -0.397 0.000 0.981 375 Y HN 0.265 nan 8.280 nan 0.000 0.507 376 S N -0.027 115.758 115.700 0.141 0.000 2.353 376 S HA -0.252 4.218 4.470 -0.000 0.000 0.222 376 S C 1.862 176.446 174.600 -0.026 0.000 1.035 376 S CA 1.905 60.167 58.200 0.103 0.000 1.025 376 S CB -0.446 62.818 63.200 0.107 0.000 0.902 376 S HN 0.668 nan 8.310 nan 0.000 0.440 377 E N 0.276 120.435 120.200 -0.069 0.000 2.265 377 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 377 E C 2.079 178.557 176.600 -0.203 0.000 0.996 377 E CA 0.824 57.160 56.400 -0.106 0.000 0.832 377 E CB -0.031 29.616 29.700 -0.088 0.000 0.756 377 E HN 0.512 nan 8.360 nan 0.000 0.491 378 K N -0.274 119.918 120.400 -0.347 0.000 2.166 378 K HA -0.036 4.284 4.320 -0.000 0.000 0.201 378 K C 1.081 177.229 176.600 -0.754 0.000 1.052 378 K CA 0.731 56.647 56.287 -0.618 0.000 0.969 378 K CB 0.272 32.245 32.500 -0.879 0.000 0.761 378 K HN 0.119 nan 8.250 nan 0.000 0.459 379 Y N 0.082 120.198 120.300 -0.307 0.000 2.444 379 Y HA 0.372 4.922 4.550 -0.000 0.000 0.252 379 Y C 0.662 176.475 175.900 -0.144 0.000 1.091 379 Y CA -0.503 57.427 58.100 -0.284 0.000 1.276 379 Y CB 0.632 38.781 38.460 -0.519 0.000 1.170 379 Y HN -0.005 nan 8.280 nan 0.000 0.517 380 A N 1.641 124.472 122.820 0.020 0.000 2.507 380 A HA 0.070 4.390 4.320 -0.000 0.000 0.235 380 A C -1.498 176.090 177.584 0.008 0.000 1.070 380 A CA -0.910 51.147 52.037 0.033 0.000 0.768 380 A CB -0.153 18.867 19.000 0.032 0.000 1.011 380 A HN 0.114 nan 8.150 nan 0.000 0.502 381 P HA -0.083 nan 4.420 nan 0.000 0.216 381 P C -0.127 177.168 177.300 -0.010 0.000 1.153 381 P CA 1.140 64.240 63.100 -0.000 0.000 0.858 381 P CB -0.040 31.659 31.700 -0.002 0.000 0.789 382 L N -0.166 121.053 121.223 -0.007 0.000 2.257 382 L HA 0.316 4.656 4.340 -0.000 0.000 0.290 382 L C 0.687 177.546 176.870 -0.018 0.000 1.044 382 L CA -0.461 54.372 54.840 -0.011 0.000 0.810 382 L CB 1.085 43.142 42.059 -0.004 0.000 1.193 382 L HN -0.240 nan 8.230 nan 0.000 0.425 383 R N 4.710 125.192 120.500 -0.030 0.000 3.070 383 R HA 0.217 4.557 4.340 -0.000 0.000 0.252 383 R C -0.667 175.612 176.300 -0.036 0.000 1.370 383 R CA -0.221 55.851 56.100 -0.047 0.000 1.482 383 R CB 0.489 30.748 30.300 -0.068 0.000 1.220 383 R HN 0.627 nan 8.270 nan 0.000 0.622 384 Q N 0.303 120.089 119.800 -0.023 0.000 2.462 384 Q HA 0.356 4.696 4.340 -0.000 0.000 0.285 384 Q C -1.089 174.908 176.000 -0.005 0.000 1.035 384 Q CA -1.246 54.549 55.803 -0.014 0.000 0.799 384 Q CB 1.620 30.354 28.738 -0.006 0.000 1.452 384 Q HN -0.127 nan 8.270 nan 0.000 0.404 385 K N 1.702 122.101 120.400 -0.002 0.000 2.416 385 K HA 0.151 4.471 4.320 -0.000 0.000 0.283 385 K C -0.653 175.963 176.600 0.025 0.000 1.037 385 K CA -0.253 56.038 56.287 0.006 0.000 0.995 385 K CB 0.303 32.805 32.500 0.003 0.000 0.938 385 K HN 0.638 nan 8.250 nan 0.000 0.475 386 L N 6.387 127.634 121.223 0.041 0.000 2.361 386 L HA 0.223 4.563 4.340 -0.000 0.000 0.278 386 L C -0.597 176.321 176.870 0.081 0.000 1.113 386 L CA 0.228 55.111 54.840 0.073 0.000 0.849 386 L CB 0.323 42.444 42.059 0.105 0.000 1.155 386 L HN 0.466 nan 8.230 nan 0.000 0.452 387 L N 3.904 125.183 121.223 0.093 0.000 2.334 387 L HA 0.425 4.765 4.340 -0.000 0.000 0.272 387 L C 1.468 178.436 176.870 0.164 0.000 1.020 387 L CA -0.303 54.592 54.840 0.092 0.000 0.812 387 L CB 1.803 43.906 42.059 0.072 0.000 1.264 387 L HN 0.803 nan 8.230 nan 0.000 0.439 388 S N -0.970 114.815 115.700 0.142 0.000 2.383 388 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 388 S C 1.671 176.415 174.600 0.239 0.000 1.030 388 S CA 1.686 60.038 58.200 0.252 0.000 1.002 388 S CB -0.775 62.496 63.200 0.119 0.000 0.829 388 S HN 0.893 nan 8.310 nan 0.000 0.467 389 T N -0.814 113.830 114.554 0.150 0.000 3.035 389 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 389 T C 1.231 175.981 174.700 0.083 0.000 1.109 389 T CA 1.065 63.227 62.100 0.104 0.000 1.119 389 T CB -0.527 68.389 68.868 0.081 0.000 0.900 389 T HN 0.272 nan 8.240 nan 0.000 0.503 390 D N 1.430 121.886 120.400 0.094 0.000 2.117 390 D HA -0.008 4.632 4.640 -0.000 0.000 0.197 390 D C 1.842 178.170 176.300 0.047 0.000 0.987 390 D CA 0.742 54.782 54.000 0.066 0.000 0.829 390 D CB -0.247 40.597 40.800 0.073 0.000 0.961 390 D HN 0.366 nan 8.370 nan 0.000 0.460 391 I N 0.994 121.599 120.570 0.059 0.000 2.353 391 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 391 I C 2.527 178.637 176.117 -0.012 0.000 1.119 391 I CA 0.955 62.227 61.300 -0.046 0.000 1.417 391 I CB -0.837 37.001 38.000 -0.270 0.000 1.078 391 I HN -0.020 nan 8.210 nan 0.000 0.421 392 G N -0.021 108.804 108.800 0.041 0.000 2.446 392 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 392 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 392 G C 1.802 176.717 174.900 0.026 0.000 1.168 392 G CA 1.340 46.458 45.100 0.030 0.000 0.771 392 G HN 0.512 nan 8.290 nan 0.000 0.551 393 S N 0.068 115.788 115.700 0.034 0.000 2.402 393 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 393 S C 2.250 176.891 174.600 0.069 0.000 1.021 393 S CA 1.300 59.526 58.200 0.042 0.000 0.974 393 S CB -0.269 62.949 63.200 0.029 0.000 0.800 393 S HN 0.121 nan 8.310 nan 0.000 0.484 394 V N 2.389 122.335 119.914 0.054 0.000 2.379 394 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 394 V C 3.131 179.299 176.094 0.123 0.000 1.044 394 V CA 1.407 63.764 62.300 0.094 0.000 1.036 394 V CB -1.480 30.367 31.823 0.040 0.000 0.664 394 V HN 0.642 nan 8.190 nan 0.000 0.453 395 A N -0.364 122.483 122.820 0.045 0.000 1.883 395 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 395 A C 2.571 180.169 177.584 0.022 0.000 1.186 395 A CA 2.358 54.402 52.037 0.013 0.000 0.624 395 A CB -0.945 18.042 19.000 -0.022 0.000 0.822 395 A HN 0.468 nan 8.150 nan 0.000 0.444 396 S N -1.491 114.233 115.700 0.040 0.000 2.370 396 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 396 S C 1.769 176.408 174.600 0.066 0.000 1.033 396 S CA 1.825 60.047 58.200 0.038 0.000 1.011 396 S CB -0.554 62.673 63.200 0.045 0.000 0.852 396 S HN 0.634 nan 8.310 nan 0.000 0.457 397 F N 1.948 121.888 119.950 -0.017 0.000 2.102 397 F HA 0.033 4.560 4.527 0.000 0.000 0.298 397 F C 1.801 177.593 175.800 -0.013 0.000 1.105 397 F CA 1.491 59.483 58.000 -0.013 0.000 1.239 397 F CB -0.466 38.528 39.000 -0.011 0.000 0.991 397 F HN 0.183 nan 8.300 nan 0.000 0.474 398 L N -0.020 121.111 121.223 -0.155 0.000 2.191 398 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 398 L C 2.205 178.944 176.870 -0.219 0.000 1.103 398 L CA 0.959 55.647 54.840 -0.254 0.000 0.769 398 L CB -0.598 41.426 42.059 -0.058 0.000 0.908 398 L HN 0.268 nan 8.230 nan 0.000 0.438 399 L N -1.044 120.095 121.223 -0.141 0.000 2.509 399 L HA 0.025 4.364 4.340 -0.000 0.000 0.222 399 L C 1.552 178.354 176.870 -0.113 0.000 1.123 399 L CA -0.171 54.608 54.840 -0.102 0.000 0.856 399 L CB -0.162 41.862 42.059 -0.059 0.000 0.985 399 L HN 0.259 nan 8.230 nan 0.000 0.456 400 S N -0.966 114.640 115.700 -0.157 0.000 2.669 400 S HA 0.219 4.689 4.470 -0.000 0.000 0.270 400 S C 1.250 175.752 174.600 -0.164 0.000 1.225 400 S CA -0.797 57.326 58.200 -0.129 0.000 0.991 400 S CB 0.952 64.097 63.200 -0.091 0.000 0.987 400 S HN 0.071 nan 8.310 nan 0.000 0.552 401 R N 0.435 120.874 120.500 -0.100 0.000 2.241 401 R HA -0.011 4.329 4.340 -0.000 0.000 0.224 401 R C 1.484 177.722 176.300 -0.103 0.000 1.101 401 R CA 0.762 56.811 56.100 -0.085 0.000 0.995 401 R CB -0.927 29.349 30.300 -0.041 0.000 0.870 401 R HN 0.675 nan 8.270 nan 0.000 0.463 402 E N 0.696 120.820 120.200 -0.127 0.000 2.209 402 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 402 E C 1.098 177.603 176.600 -0.158 0.000 0.993 402 E CA 1.383 57.745 56.400 -0.063 0.000 0.819 402 E CB -0.021 29.729 29.700 0.083 0.000 0.745 402 E HN 0.313 nan 8.360 nan 0.000 0.477 403 S N -0.282 115.145 115.700 -0.455 0.000 2.537 403 S HA 0.125 4.595 4.470 -0.000 0.000 0.246 403 S C 1.283 175.765 174.600 -0.197 0.000 1.036 403 S CA -0.367 57.570 58.200 -0.438 0.000 1.041 403 S CB -0.042 62.623 63.200 -0.892 0.000 0.799 403 S HN 0.283 nan 8.310 nan 0.000 0.456 404 R N 0.665 121.093 120.500 -0.120 0.000 2.211 404 R HA -0.016 4.324 4.340 -0.000 0.000 0.240 404 R C 1.481 177.759 176.300 -0.037 0.000 1.144 404 R CA 1.563 57.623 56.100 -0.067 0.000 0.992 404 R CB -0.625 29.651 30.300 -0.041 0.000 0.869 404 R HN 0.456 nan 8.270 nan 0.000 0.462 405 A N 1.027 123.835 122.820 -0.020 0.000 2.345 405 A HA 0.338 4.658 4.320 -0.000 0.000 0.225 405 A C 0.519 178.106 177.584 0.006 0.000 1.243 405 A CA -0.398 51.639 52.037 0.000 0.000 0.875 405 A CB 0.252 19.262 19.000 0.016 0.000 0.929 405 A HN 0.229 nan 8.150 nan 0.000 0.502 406 I N 0.206 120.771 120.570 -0.008 0.000 2.339 406 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 406 I C -0.100 176.011 176.117 -0.010 0.000 0.994 406 I CA -0.196 61.106 61.300 0.004 0.000 1.191 406 I CB 1.866 39.879 38.000 0.021 0.000 1.343 406 I HN 0.035 nan 8.210 nan 0.000 0.458 407 T N 3.244 117.800 114.554 0.004 0.000 2.889 407 T HA 0.539 4.889 4.350 -0.000 0.000 0.315 407 T C 0.373 175.081 174.700 0.013 0.000 1.291 407 T CA 0.354 62.455 62.100 0.003 0.000 1.028 407 T CB 1.570 70.440 68.868 0.003 0.000 1.235 407 T HN 0.970 nan 8.240 nan 0.000 0.491 408 G N 2.478 111.285 108.800 0.012 0.000 2.155 408 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.257 408 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.257 408 G C -0.082 174.826 174.900 0.013 0.000 0.983 408 G CA 0.283 45.393 45.100 0.017 0.000 0.676 408 G HN 0.717 nan 8.290 nan 0.000 0.528 409 Q N 0.230 120.037 119.800 0.010 0.000 2.235 409 Q HA 0.560 4.900 4.340 -0.000 0.000 0.256 409 Q C -0.114 175.885 176.000 -0.002 0.000 0.951 409 Q CA -0.159 55.654 55.803 0.017 0.000 0.890 409 Q CB 1.473 30.229 28.738 0.030 0.000 1.279 409 Q HN 0.191 nan 8.270 nan 0.000 0.444 410 T N 2.848 117.404 114.554 0.003 0.000 2.738 410 T HA 0.399 4.749 4.350 -0.000 0.000 0.298 410 T C 0.206 174.884 174.700 -0.038 0.000 0.962 410 T CA -0.428 61.639 62.100 -0.055 0.000 0.972 410 T CB 0.157 68.989 68.868 -0.059 0.000 0.928 410 T HN 0.238 nan 8.240 nan 0.000 0.474 411 I N 3.854 124.377 120.570 -0.079 0.000 2.321 411 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 411 I C -0.215 175.840 176.117 -0.103 0.000 0.998 411 I CA -1.102 60.192 61.300 -0.010 0.000 1.227 411 I CB 0.665 38.676 38.000 0.018 0.000 1.368 411 I HN 0.604 nan 8.210 nan 0.000 0.466 412 Y N 5.071 125.358 120.300 -0.021 0.000 2.365 412 Y HA 0.293 4.843 4.550 -0.000 0.000 0.340 412 Y C 0.518 176.398 175.900 -0.034 0.000 1.016 412 Y CA -0.181 57.896 58.100 -0.038 0.000 1.196 412 Y CB 1.193 39.612 38.460 -0.068 0.000 1.167 412 Y HN 0.230 nan 8.280 nan 0.000 0.509 413 V N 4.196 124.142 119.914 0.054 0.000 2.313 413 V HA 0.191 4.311 4.120 -0.000 0.000 0.262 413 V C -0.665 175.463 176.094 0.056 0.000 1.011 413 V CA -0.571 61.747 62.300 0.030 0.000 0.858 413 V CB 0.522 32.327 31.823 -0.031 0.000 1.104 413 V HN 0.891 nan 8.190 nan 0.000 0.456 414 D N 0.901 121.356 120.400 0.092 0.000 2.740 414 D HA 0.092 4.732 4.640 -0.000 0.000 0.305 414 D C 0.478 176.827 176.300 0.081 0.000 1.583 414 D CA -0.486 53.581 54.000 0.111 0.000 0.790 414 D CB -0.208 40.686 40.800 0.156 0.000 1.187 414 D HN 0.204 nan 8.370 nan 0.000 0.447 415 N N 0.664 119.398 118.700 0.057 0.000 2.753 415 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 415 N C 1.225 176.749 175.510 0.023 0.000 1.097 415 N CA 1.671 54.743 53.050 0.036 0.000 0.786 415 N CB -1.461 37.048 38.487 0.037 0.000 1.137 415 N HN 0.811 nan 8.380 nan 0.000 0.566 416 G N -0.908 107.903 108.800 0.018 0.000 2.148 416 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.254 416 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.254 416 G C 0.885 175.769 174.900 -0.026 0.000 0.981 416 G CA 0.616 45.707 45.100 -0.015 0.000 0.670 416 G HN 0.469 nan 8.290 nan 0.000 0.528 417 L N 1.928 123.156 121.223 0.008 0.000 2.079 417 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 417 L C 2.491 179.338 176.870 -0.038 0.000 1.081 417 L CA 3.081 57.943 54.840 0.036 0.000 0.752 417 L CB -0.721 41.402 42.059 0.108 0.000 0.896 417 L HN 0.677 nan 8.230 nan 0.000 0.433 418 N N 0.142 118.726 118.700 -0.193 0.000 2.443 418 N HA -0.225 4.515 4.740 -0.000 0.000 0.184 418 N C 1.770 177.099 175.510 -0.301 0.000 1.037 418 N CA 1.711 54.482 53.050 -0.465 0.000 0.896 418 N CB -0.878 36.981 38.487 -1.047 0.000 0.959 418 N HN 0.693 nan 8.380 nan 0.000 0.442 419 I N -3.669 116.790 120.570 -0.184 0.000 3.251 419 I HA 0.140 4.310 4.170 -0.000 0.000 0.277 419 I C 0.120 176.224 176.117 -0.022 0.000 1.268 419 I CA -0.042 61.188 61.300 -0.116 0.000 1.449 419 I CB -0.152 37.792 38.000 -0.094 0.000 1.083 419 I HN -0.017 nan 8.210 nan 0.000 0.464 420 M N 0.768 120.382 119.600 0.022 0.000 2.233 420 M HA 0.165 4.645 4.480 -0.000 0.000 0.350 420 M C 0.416 176.826 176.300 0.182 0.000 1.176 420 M CA 0.161 55.513 55.300 0.086 0.000 1.150 420 M CB 1.028 33.678 32.600 0.084 0.000 1.530 420 M HN 0.231 nan 8.290 nan 0.000 0.459 421 F N 2.135 122.081 119.950 -0.006 0.000 2.389 421 F HA 0.306 4.834 4.527 0.000 0.000 0.275 421 F C 0.133 175.929 175.800 -0.007 0.000 1.009 421 F CA -0.093 57.906 58.000 -0.002 0.000 1.187 421 F CB 0.619 39.615 39.000 -0.008 0.000 1.139 421 F HN 0.294 nan 8.300 nan 0.000 0.613 422 L N 3.156 124.311 121.223 -0.113 0.000 2.262 422 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 422 L C -2.172 174.592 176.870 -0.177 0.000 1.035 422 L CA -2.175 52.494 54.840 -0.286 0.000 0.820 422 L CB 0.734 42.614 42.059 -0.298 0.000 1.204 422 L HN 0.077 nan 8.230 nan 0.000 0.424 423 P HA -0.035 nan 4.420 nan 0.000 0.261 423 P C -0.928 176.230 177.300 -0.237 0.000 1.173 423 P CA -0.022 62.786 63.100 -0.487 0.000 0.760 423 P CB 0.258 31.473 31.700 -0.807 0.000 0.783 424 D N 0.000 120.358 120.400 -0.069 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 54.014 54.000 0.023 0.000 0.868 424 D CB 0.000 40.827 40.800 0.046 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683