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 1ma0_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANEVIKCKAA VAWEAGKPLS IEEIEVAPPK AHEVRIKIIA TAVCHTDAYT DATA SEQUENCE LSGADPEGCF PVILGHEGAG IVESVGEGVT KLKAGDTVIP LYIPQCGECK DATA SEQUENCE FCLNPKTNLC QKIRVTQGKG LMPDGTSRFT CKGKTILHYM GTSTFSEYTV DATA SEQUENCE VADISVAKID PLAPLDKVCL LGCGISTGYG AAVNTAKLEP GSVCAVFGLG DATA SEQUENCE GVGLAVIMGC KVAGASRIIG VDINKDKFAR AKEFGATECI NPQDFSKPIQ DATA SEQUENCE EVLIEMTDGG VDYSFECIGN VKVMRAALEA CHKGWGVSVV VGVAASGEEI DATA SEQUENCE ATRPFQLVTG RTWKGTAFGG WKSVESVPKL VSEYMSKKIK VDEFVTHNLS DATA SEQUENCE FDEINKAFEL MHSGKSIRTV VKI 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.572 177.584 -0.019 0.000 1.274 1 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 2 N N 1.728 120.414 118.700 -0.022 0.000 2.438 2 N HA 0.286 5.026 4.740 -0.000 0.000 0.267 2 N C -0.105 175.387 175.510 -0.031 0.000 1.222 2 N CA 0.216 53.248 53.050 -0.029 0.000 0.930 2 N CB 0.649 39.119 38.487 -0.028 0.000 1.083 2 N HN 0.702 nan 8.380 nan 0.000 0.476 3 E N 0.874 121.052 120.200 -0.038 0.000 2.254 3 E HA 0.350 4.700 4.350 -0.000 0.000 0.258 3 E C -0.285 176.289 176.600 -0.044 0.000 1.033 3 E CA -0.984 55.395 56.400 -0.034 0.000 0.893 3 E CB 1.330 31.011 29.700 -0.032 0.000 1.204 3 E HN 0.124 nan 8.360 nan 0.000 0.425 4 V N 1.708 121.603 119.914 -0.031 0.000 2.715 4 V HA 0.075 4.195 4.120 -0.000 0.000 0.299 4 V C 0.179 176.245 176.094 -0.047 0.000 1.054 4 V CA 0.364 62.648 62.300 -0.027 0.000 1.077 4 V CB 0.219 32.039 31.823 -0.005 0.000 0.972 4 V HN 0.434 nan 8.190 nan 0.000 0.484 5 I N 4.794 125.329 120.570 -0.059 0.000 2.378 5 I HA 0.392 4.562 4.170 -0.000 0.000 0.291 5 I C 0.095 176.201 176.117 -0.018 0.000 0.992 5 I CA -0.568 60.672 61.300 -0.100 0.000 1.154 5 I CB 1.447 39.285 38.000 -0.271 0.000 1.315 5 I HN 0.528 nan 8.210 nan 0.000 0.448 6 K N 5.997 126.397 120.400 0.000 0.000 2.211 6 K HA 0.623 4.943 4.320 -0.000 0.000 0.275 6 K C -0.736 175.911 176.600 0.078 0.000 1.024 6 K CA -0.435 55.881 56.287 0.048 0.000 0.887 6 K CB 1.510 34.035 32.500 0.042 0.000 1.084 6 K HN 0.806 nan 8.250 nan 0.000 0.463 7 C N -0.090 119.282 119.300 0.119 0.000 3.293 7 C HA 0.526 4.986 4.460 -0.000 0.000 0.362 7 C C -1.164 173.921 174.990 0.159 0.000 1.539 7 C CA -1.263 57.857 59.018 0.168 0.000 1.201 7 C CB 0.964 28.873 27.740 0.283 0.000 1.770 7 C HN 0.891 nan 8.230 nan 0.000 0.440 8 K N 1.054 121.569 120.400 0.193 0.000 2.110 8 K HA 0.775 5.095 4.320 -0.000 0.000 0.263 8 K C -0.468 176.308 176.600 0.295 0.000 0.975 8 K CA 0.249 56.660 56.287 0.206 0.000 0.895 8 K CB 1.452 34.095 32.500 0.239 0.000 1.060 8 K HN 1.484 nan 8.250 nan 0.000 0.448 9 A N 1.588 124.534 122.820 0.210 0.000 2.612 9 A HA 0.635 4.955 4.320 -0.000 0.000 0.293 9 A C -1.749 175.853 177.584 0.029 0.000 1.075 9 A CA -0.704 51.472 52.037 0.232 0.000 0.680 9 A CB 1.469 20.480 19.000 0.018 0.000 1.279 9 A HN 0.707 nan 8.150 nan 0.000 0.411 10 A N 1.135 124.008 122.820 0.088 0.000 2.366 10 A HA 0.588 4.908 4.320 -0.000 0.000 0.322 10 A C -0.324 177.215 177.584 -0.076 0.000 1.397 10 A CA -0.298 51.690 52.037 -0.082 0.000 0.984 10 A CB -0.363 18.593 19.000 -0.072 0.000 1.149 10 A HN 1.273 nan 8.150 nan 0.000 0.540 11 V N 1.969 121.757 119.914 -0.209 0.000 2.509 11 V HA 0.539 4.659 4.120 -0.000 0.000 0.284 11 V C 0.764 176.631 176.094 -0.378 0.000 1.047 11 V CA -0.114 61.943 62.300 -0.406 0.000 0.952 11 V CB 1.454 32.804 31.823 -0.788 0.000 0.988 11 V HN 0.955 nan 8.190 nan 0.000 0.469 12 A N 3.986 126.631 122.820 -0.291 0.000 2.582 12 A HA 0.385 4.705 4.320 -0.000 0.000 0.336 12 A C 0.300 177.878 177.584 -0.009 0.000 1.445 12 A CA -0.520 51.469 52.037 -0.081 0.000 0.997 12 A CB -0.200 18.846 19.000 0.077 0.000 1.148 12 A HN 0.982 nan 8.150 nan 0.000 0.514 13 W N 1.515 122.838 121.300 0.038 0.000 2.381 13 W HA 0.013 4.672 4.660 -0.000 0.000 0.301 13 W C 1.288 177.779 176.519 -0.046 0.000 1.205 13 W CA 1.467 58.826 57.345 0.024 0.000 1.285 13 W CB 0.301 29.741 29.460 -0.033 0.000 1.133 13 W HN 0.757 nan 8.180 nan 0.000 0.521 14 E N -1.063 119.095 120.200 -0.069 0.000 2.449 14 E HA 0.641 4.990 4.350 -0.000 0.000 0.278 14 E C -1.038 174.957 176.600 -1.008 0.000 0.992 14 E CA -1.186 54.854 56.400 -0.601 0.000 0.807 14 E CB 1.211 30.743 29.700 -0.280 0.000 1.350 14 E HN -0.176 nan 8.360 nan 0.000 0.462 15 A N 0.127 122.129 122.820 -1.362 0.000 2.386 15 A HA 0.546 4.865 4.320 -0.000 0.000 0.248 15 A C 1.191 178.552 177.584 -0.372 0.000 1.082 15 A CA 0.443 51.986 52.037 -0.824 0.000 0.789 15 A CB -0.464 18.211 19.000 -0.541 0.000 1.025 15 A HN 1.531 nan 8.150 nan 0.000 0.490 16 G N 0.238 108.901 108.800 -0.228 0.000 2.153 16 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.252 16 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.252 16 G C 0.085 174.892 174.900 -0.155 0.000 0.994 16 G CA 0.792 45.796 45.100 -0.160 0.000 0.698 16 G HN 0.725 nan 8.290 nan 0.000 0.521 17 K N 0.052 120.347 120.400 -0.175 0.000 2.443 17 K HA 0.568 4.888 4.320 -0.000 0.000 0.251 17 K C -2.478 174.028 176.600 -0.157 0.000 0.972 17 K CA -1.886 54.316 56.287 -0.142 0.000 0.833 17 K CB 2.280 34.712 32.500 -0.114 0.000 1.317 17 K HN 0.079 nan 8.250 nan 0.000 0.441 18 P HA 0.171 nan 4.420 nan 0.000 0.271 18 P C -0.083 177.138 177.300 -0.133 0.000 1.218 18 P CA -0.330 62.673 63.100 -0.162 0.000 0.780 18 P CB 0.586 32.218 31.700 -0.113 0.000 0.901 19 L N 1.279 122.397 121.223 -0.176 0.000 2.483 19 L HA 0.073 4.413 4.340 -0.000 0.000 0.276 19 L C 0.895 177.718 176.870 -0.078 0.000 1.213 19 L CA 0.364 55.128 54.840 -0.125 0.000 0.843 19 L CB -0.131 41.850 42.059 -0.131 0.000 1.107 19 L HN 0.385 nan 8.230 nan 0.000 0.487 20 S N 3.445 119.123 115.700 -0.036 0.000 2.433 20 S HA 0.443 4.913 4.470 -0.000 0.000 0.310 20 S C -0.056 174.518 174.600 -0.043 0.000 1.097 20 S CA -0.640 57.579 58.200 0.031 0.000 1.103 20 S CB 1.149 64.517 63.200 0.280 0.000 0.992 20 S HN 0.249 nan 8.310 nan 0.000 0.469 21 I N 4.393 124.909 120.570 -0.091 0.000 2.421 21 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 21 I C 0.682 176.775 176.117 -0.041 0.000 1.089 21 I CA 0.341 61.545 61.300 -0.160 0.000 1.354 21 I CB -0.401 37.469 38.000 -0.217 0.000 1.413 21 I HN 0.582 nan 8.210 nan 0.000 0.513 22 E N 5.434 125.624 120.200 -0.017 0.000 2.378 22 E HA 0.484 4.833 4.350 -0.000 0.000 0.265 22 E C -0.764 175.868 176.600 0.053 0.000 0.932 22 E CA -0.825 55.612 56.400 0.062 0.000 0.795 22 E CB 1.907 31.687 29.700 0.133 0.000 1.296 22 E HN 0.405 nan 8.360 nan 0.000 0.438 23 E N 1.080 121.327 120.200 0.080 0.000 2.175 23 E HA 0.455 4.805 4.350 -0.000 0.000 0.278 23 E C -0.257 176.396 176.600 0.089 0.000 0.969 23 E CA -0.323 56.126 56.400 0.081 0.000 0.796 23 E CB 1.358 31.102 29.700 0.074 0.000 1.104 23 E HN 0.345 nan 8.360 nan 0.000 0.395 24 I N -1.216 119.407 120.570 0.088 0.000 3.239 24 I HA 0.608 4.778 4.170 -0.000 0.000 0.314 24 I C -0.944 175.239 176.117 0.111 0.000 1.126 24 I CA -1.176 60.181 61.300 0.094 0.000 0.973 24 I CB 2.097 40.133 38.000 0.060 0.000 1.252 24 I HN 0.158 nan 8.210 nan 0.000 0.463 25 E N 1.576 121.852 120.200 0.127 0.000 2.183 25 E HA 0.624 4.974 4.350 -0.000 0.000 0.271 25 E C -1.324 175.375 176.600 0.165 0.000 0.919 25 E CA -0.663 55.806 56.400 0.115 0.000 0.781 25 E CB 2.446 32.199 29.700 0.088 0.000 1.140 25 E HN 0.456 nan 8.360 nan 0.000 0.402 26 V N 2.459 122.450 119.914 0.129 0.000 2.349 26 V HA 0.566 4.686 4.120 -0.000 0.000 0.284 26 V C 0.111 176.222 176.094 0.028 0.000 1.014 26 V CA -1.027 61.352 62.300 0.132 0.000 0.826 26 V CB 1.206 33.147 31.823 0.197 0.000 1.009 26 V HN 0.868 nan 8.190 nan 0.000 0.431 27 A N 8.527 131.344 122.820 -0.004 0.000 2.492 27 A HA 0.519 4.839 4.320 -0.000 0.000 0.236 27 A C -1.851 175.713 177.584 -0.032 0.000 1.078 27 A CA -0.575 51.450 52.037 -0.021 0.000 0.773 27 A CB -0.186 18.797 19.000 -0.028 0.000 1.023 27 A HN 0.620 nan 8.150 nan 0.000 0.504 28 P HA 0.268 nan 4.420 nan 0.000 0.274 28 P C -2.760 174.521 177.300 -0.031 0.000 1.256 28 P CA -1.431 61.650 63.100 -0.031 0.000 0.795 28 P CB -0.555 31.127 31.700 -0.030 0.000 1.038 29 P HA 0.222 nan 4.420 nan 0.000 0.276 29 P C 0.056 177.335 177.300 -0.035 0.000 1.235 29 P CA 0.235 63.319 63.100 -0.026 0.000 0.772 29 P CB 0.442 32.133 31.700 -0.016 0.000 0.871 30 K N 1.685 122.063 120.400 -0.037 0.000 2.488 30 K HA 0.613 4.933 4.320 -0.000 0.000 0.255 30 K C 0.297 176.867 176.600 -0.051 0.000 1.036 30 K CA -0.923 55.341 56.287 -0.039 0.000 0.990 30 K CB 0.335 32.816 32.500 -0.033 0.000 1.304 30 K HN 0.417 nan 8.250 nan 0.000 0.505 31 A N 1.508 124.293 122.820 -0.058 0.000 2.584 31 A HA -0.064 4.256 4.320 -0.000 0.000 0.239 31 A C -0.141 177.407 177.584 -0.060 0.000 1.043 31 A CA 0.412 52.375 52.037 -0.123 0.000 0.756 31 A CB -0.554 18.406 19.000 -0.066 0.000 0.963 31 A HN 0.873 nan 8.150 nan 0.000 0.511 32 H N -0.013 119.046 119.070 -0.018 0.000 2.791 32 H HA -0.128 4.428 4.556 -0.000 0.000 0.302 32 H C -0.012 175.302 175.328 -0.024 0.000 1.198 32 H CA 1.622 57.658 56.048 -0.019 0.000 1.145 32 H CB -1.474 28.275 29.762 -0.021 0.000 1.385 32 H HN 0.889 nan 8.280 nan 0.000 0.409 33 E N -0.308 119.908 120.200 0.027 0.000 2.336 33 E HA 0.699 5.049 4.350 -0.000 0.000 0.267 33 E C -0.289 176.317 176.600 0.010 0.000 0.906 33 E CA -1.089 55.319 56.400 0.014 0.000 0.781 33 E CB 3.041 32.735 29.700 -0.010 0.000 1.261 33 E HN -0.029 nan 8.360 nan 0.000 0.436 34 V N 1.533 121.459 119.914 0.021 0.000 2.623 34 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 34 V C -0.560 175.564 176.094 0.049 0.000 1.054 34 V CA -0.802 61.516 62.300 0.030 0.000 0.882 34 V CB 1.906 33.750 31.823 0.034 0.000 1.002 34 V HN 0.544 nan 8.190 nan 0.000 0.424 35 R N 4.093 124.628 120.500 0.059 0.000 2.265 35 R HA 0.755 5.095 4.340 -0.000 0.000 0.319 35 R C -1.213 175.169 176.300 0.136 0.000 1.006 35 R CA -0.355 55.805 56.100 0.100 0.000 0.880 35 R CB 0.950 31.300 30.300 0.085 0.000 1.077 35 R HN 0.720 nan 8.270 nan 0.000 0.454 36 I N 3.404 124.070 120.570 0.160 0.000 2.530 36 I HA 0.287 4.457 4.170 -0.000 0.000 0.297 36 I C -0.301 175.872 176.117 0.093 0.000 1.011 36 I CA -0.898 60.474 61.300 0.120 0.000 1.107 36 I CB 2.088 40.126 38.000 0.064 0.000 1.285 36 I HN 0.466 nan 8.210 nan 0.000 0.436 37 K N 6.585 126.974 120.400 -0.018 0.000 2.267 37 K HA 0.368 4.688 4.320 -0.000 0.000 0.282 37 K C -0.678 175.760 176.600 -0.270 0.000 1.078 37 K CA -0.604 55.450 56.287 -0.389 0.000 0.903 37 K CB 0.612 32.912 32.500 -0.333 0.000 1.111 37 K HN 0.427 nan 8.250 nan 0.000 0.475 38 I N 6.757 127.146 120.570 -0.302 0.000 2.452 38 I HA -0.039 4.131 4.170 -0.000 0.000 0.287 38 I C 1.291 177.274 176.117 -0.224 0.000 1.079 38 I CA -0.035 61.145 61.300 -0.202 0.000 1.387 38 I CB 0.601 38.495 38.000 -0.178 0.000 1.404 38 I HN 0.726 nan 8.210 nan 0.000 0.522 39 I N 4.607 125.086 120.570 -0.152 0.000 2.731 39 I HA 0.179 4.349 4.170 -0.000 0.000 0.260 39 I C 1.007 177.050 176.117 -0.122 0.000 1.138 39 I CA 0.632 61.853 61.300 -0.131 0.000 1.461 39 I CB -0.263 37.688 38.000 -0.082 0.000 1.128 39 I HN 0.599 nan 8.210 nan 0.000 0.438 40 A N -0.408 122.350 122.820 -0.102 0.000 2.549 40 A HA 0.677 4.997 4.320 -0.000 0.000 0.297 40 A C -0.550 176.997 177.584 -0.061 0.000 1.061 40 A CA -0.298 51.688 52.037 -0.084 0.000 0.690 40 A CB 1.963 20.931 19.000 -0.052 0.000 1.287 40 A HN 0.038 nan 8.150 nan 0.000 0.402 41 T N -0.153 114.376 114.554 -0.042 0.000 2.956 41 T HA 0.719 5.069 4.350 -0.000 0.000 0.312 41 T C -0.396 174.324 174.700 0.034 0.000 1.151 41 T CA 0.447 62.562 62.100 0.025 0.000 1.024 41 T CB 1.287 70.235 68.868 0.132 0.000 1.140 41 T HN 1.999 nan 8.240 nan 0.000 0.473 42 A N 2.699 125.541 122.820 0.036 0.000 2.284 42 A HA 0.955 5.275 4.320 -0.000 0.000 0.317 42 A C -0.931 176.683 177.584 0.050 0.000 1.120 42 A CA -0.602 51.439 52.037 0.008 0.000 0.900 42 A CB 1.279 20.265 19.000 -0.024 0.000 1.319 42 A HN 0.820 nan 8.150 nan 0.000 0.494 43 V N -0.654 119.246 119.914 -0.024 0.000 2.841 43 V HA 0.579 4.699 4.120 -0.000 0.000 0.310 43 V C -0.252 175.798 176.094 -0.074 0.000 1.090 43 V CA -0.419 61.856 62.300 -0.041 0.000 0.930 43 V CB 0.990 32.621 31.823 -0.319 0.000 1.014 43 V HN 1.528 nan 8.190 nan 0.000 0.425 44 C N 1.631 120.946 119.300 0.024 0.000 3.171 44 C HA 0.630 5.090 4.460 -0.000 0.000 0.308 44 C C 1.444 176.510 174.990 0.127 0.000 1.334 44 C CA -0.487 58.584 59.018 0.088 0.000 1.473 44 C CB 1.129 28.985 27.740 0.194 0.000 1.866 44 C HN 0.967 nan 8.230 nan 0.000 0.465 45 H N 0.532 119.684 119.070 0.137 0.000 2.501 45 H HA -0.093 4.463 4.556 -0.000 0.000 0.296 45 H C 1.975 177.429 175.328 0.209 0.000 1.115 45 H CA 2.611 58.760 56.048 0.169 0.000 1.242 45 H CB -0.121 29.714 29.762 0.122 0.000 1.363 45 H HN 0.839 nan 8.280 nan 0.000 0.537 46 T N -0.108 114.609 114.554 0.272 0.000 2.777 46 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 46 T C 1.510 176.381 174.700 0.285 0.000 1.040 46 T CA 1.341 63.560 62.100 0.199 0.000 1.141 46 T CB -0.116 68.731 68.868 -0.035 0.000 0.868 46 T HN 0.471 nan 8.240 nan 0.000 0.444 47 D N 1.489 122.092 120.400 0.338 0.000 2.117 47 D HA -0.035 4.605 4.640 -0.000 0.000 0.197 47 D C 2.361 178.893 176.300 0.387 0.000 0.987 47 D CA 1.203 55.410 54.000 0.346 0.000 0.829 47 D CB -0.243 40.831 40.800 0.457 0.000 0.961 47 D HN 0.409 nan 8.370 nan 0.000 0.460 48 A N 0.356 123.466 122.820 0.483 0.000 1.930 48 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 48 A C 2.131 179.906 177.584 0.317 0.000 1.175 48 A CA 0.930 53.248 52.037 0.468 0.000 0.627 48 A CB -0.860 18.398 19.000 0.431 0.000 0.815 48 A HN 0.240 nan 8.150 nan 0.000 0.443 49 Y N 1.433 121.851 120.300 0.197 0.000 2.114 49 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 49 Y C 2.703 178.678 175.900 0.125 0.000 1.143 49 Y CA 2.253 60.445 58.100 0.153 0.000 1.135 49 Y CB -0.891 37.653 38.460 0.139 0.000 0.980 49 Y HN 0.323 nan 8.280 nan 0.000 0.499 50 T N 1.010 115.640 114.554 0.126 0.000 2.720 50 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 50 T C 1.840 176.568 174.700 0.046 0.000 1.037 50 T CA 1.606 63.704 62.100 -0.004 0.000 1.144 50 T CB -0.744 68.094 68.868 -0.050 0.000 0.864 50 T HN 0.281 nan 8.240 nan 0.000 0.444 51 L N 1.936 123.196 121.223 0.063 0.000 2.083 51 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 51 L C 2.586 179.474 176.870 0.030 0.000 1.083 51 L CA 1.947 56.837 54.840 0.084 0.000 0.752 51 L CB -0.917 41.096 42.059 -0.077 0.000 0.899 51 L HN 0.359 nan 8.230 nan 0.000 0.433 52 S N -0.784 114.918 115.700 0.002 0.000 2.440 52 S HA 0.004 4.474 4.470 -0.000 0.000 0.238 52 S C 1.754 176.316 174.600 -0.063 0.000 1.010 52 S CA 0.937 59.117 58.200 -0.032 0.000 0.972 52 S CB -0.751 62.449 63.200 0.001 0.000 0.774 52 S HN 0.889 nan 8.310 nan 0.000 0.501 53 G N 0.282 109.058 108.800 -0.039 0.000 2.175 53 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.244 53 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.244 53 G C 0.778 175.624 174.900 -0.090 0.000 0.982 53 G CA 0.147 45.242 45.100 -0.008 0.000 0.641 53 G HN 1.401 nan 8.290 nan 0.000 0.527 54 A N -0.296 122.376 122.820 -0.247 0.000 2.251 54 A HA 0.449 4.769 4.320 -0.000 0.000 0.209 54 A C 0.875 178.218 177.584 -0.401 0.000 1.187 54 A CA 1.245 53.106 52.037 -0.293 0.000 0.823 54 A CB 0.012 18.845 19.000 -0.278 0.000 0.846 54 A HN 0.501 nan 8.150 nan 0.000 0.486 55 D N 0.055 120.182 120.400 -0.455 0.000 2.339 55 D HA 0.340 4.980 4.640 -0.000 0.000 0.241 55 D C -1.933 174.341 176.300 -0.042 0.000 1.183 55 D CA -2.075 51.787 54.000 -0.230 0.000 0.859 55 D CB 1.141 41.844 40.800 -0.161 0.000 1.067 55 D HN -0.023 nan 8.370 nan 0.000 0.484 56 P HA -0.048 nan 4.420 nan 0.000 0.234 56 P C -0.197 177.118 177.300 0.025 0.000 1.162 56 P CA 0.879 63.996 63.100 0.029 0.000 0.759 56 P CB 0.254 31.981 31.700 0.045 0.000 0.813 57 E N -1.759 118.454 120.200 0.021 0.000 2.714 57 E HA 0.190 4.540 4.350 -0.000 0.000 0.219 57 E C 0.708 177.298 176.600 -0.017 0.000 0.979 57 E CA -0.312 56.093 56.400 0.008 0.000 1.092 57 E CB 0.658 30.366 29.700 0.014 0.000 1.049 57 E HN 0.064 nan 8.360 nan 0.000 0.487 58 G N 1.039 109.818 108.800 -0.035 0.000 2.338 58 G HA2 0.330 4.290 3.960 -0.000 0.000 0.295 58 G HA3 0.330 4.290 3.960 -0.000 0.000 0.295 58 G C -0.188 174.585 174.900 -0.211 0.000 1.132 58 G CA -0.146 44.866 45.100 -0.147 0.000 0.922 58 G HN 0.106 nan 8.290 nan 0.000 0.427 59 C N 1.775 120.863 119.300 -0.353 0.000 2.529 59 C HA 0.794 5.254 4.460 -0.000 0.000 0.329 59 C C -0.459 174.193 174.990 -0.564 0.000 1.194 59 C CA -0.671 58.198 59.018 -0.248 0.000 1.779 59 C CB 0.764 28.452 27.740 -0.086 0.000 2.322 59 C HN 0.629 nan 8.230 nan 0.000 0.500 60 F N 0.795 120.752 119.950 0.011 0.000 2.593 60 F HA 0.585 5.112 4.527 -0.000 0.000 0.320 60 F C -2.117 173.707 175.800 0.041 0.000 1.060 60 F CA -1.995 56.008 58.000 0.005 0.000 0.940 60 F CB 0.624 39.630 39.000 0.009 0.000 1.268 60 F HN 0.340 nan 8.300 nan 0.000 0.475 61 P HA 0.475 nan 4.420 nan 0.000 0.278 61 P C -1.428 175.845 177.300 -0.046 0.000 1.238 61 P CA -0.429 62.744 63.100 0.121 0.000 0.794 61 P CB 1.509 33.209 31.700 -0.000 0.000 0.955 62 V N 2.930 122.764 119.914 -0.133 0.000 3.087 62 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 62 V C -1.425 174.525 176.094 -0.240 0.000 1.187 62 V CA -0.894 61.292 62.300 -0.190 0.000 0.999 62 V CB 2.087 33.742 31.823 -0.280 0.000 1.049 62 V HN 0.341 nan 8.190 nan 0.000 0.431 63 I N 6.551 126.977 120.570 -0.241 0.000 2.307 63 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 63 I C 0.272 176.260 176.117 -0.215 0.000 1.054 63 I CA -0.199 60.937 61.300 -0.272 0.000 1.218 63 I CB 1.083 38.766 38.000 -0.529 0.000 1.398 63 I HN 0.494 nan 8.210 nan 0.000 0.475 64 L N 5.138 126.187 121.223 -0.290 0.000 2.598 64 L HA 0.626 4.966 4.340 -0.000 0.000 0.202 64 L C 0.768 177.090 176.870 -0.913 0.000 1.190 64 L CA -0.387 54.109 54.840 -0.574 0.000 0.869 64 L CB 0.111 41.839 42.059 -0.552 0.000 1.529 64 L HN 0.760 nan 8.230 nan 0.000 0.520 65 G N -0.039 108.115 108.800 -1.076 0.000 3.338 65 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 65 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 65 G C -0.420 174.368 174.900 -0.187 0.000 1.053 65 G CA -0.105 44.239 45.100 -1.260 0.000 0.852 65 G HN 1.076 nan 8.290 nan 0.000 0.545 66 H N 0.116 119.097 119.070 -0.149 0.000 3.480 66 H HA 0.306 4.862 4.556 -0.000 0.000 0.257 66 H C -0.062 175.286 175.328 0.033 0.000 1.196 66 H CA 0.268 56.283 56.048 -0.054 0.000 1.100 66 H CB 0.744 30.411 29.762 -0.157 0.000 1.683 66 H HN 0.538 nan 8.280 nan 0.000 0.702 67 E N 1.331 121.325 120.200 -0.342 0.000 2.256 67 E HA 0.524 4.874 4.350 -0.000 0.000 0.243 67 E C -0.411 176.155 176.600 -0.057 0.000 0.925 67 E CA -0.564 55.728 56.400 -0.180 0.000 0.748 67 E CB 1.673 31.231 29.700 -0.235 0.000 1.206 67 E HN 0.548 nan 8.360 nan 0.000 0.428 68 G N 0.987 109.775 108.800 -0.021 0.000 2.694 68 G HA2 0.799 4.759 3.960 -0.000 0.000 0.290 68 G HA3 0.799 4.759 3.960 -0.000 0.000 0.290 68 G C -1.531 173.359 174.900 -0.016 0.000 1.386 68 G CA -0.593 44.499 45.100 -0.013 0.000 0.872 68 G HN 0.405 nan 8.290 nan 0.000 0.475 69 A N -1.124 121.680 122.820 -0.027 0.000 2.520 69 A HA 1.008 5.327 4.320 -0.000 0.000 0.298 69 A C 0.031 177.592 177.584 -0.038 0.000 1.051 69 A CA 0.242 52.263 52.037 -0.027 0.000 0.690 69 A CB 1.742 20.725 19.000 -0.028 0.000 1.281 69 A HN 2.260 nan 8.150 nan 0.000 0.402 70 G N -0.158 108.624 108.800 -0.031 0.000 2.578 70 G HA2 0.591 4.551 3.960 -0.000 0.000 0.302 70 G HA3 0.591 4.551 3.960 -0.000 0.000 0.302 70 G C -1.686 173.200 174.900 -0.023 0.000 1.243 70 G CA -0.417 44.656 45.100 -0.044 0.000 0.843 70 G HN 0.875 nan 8.290 nan 0.000 0.486 71 I N 0.410 120.966 120.570 -0.022 0.000 2.545 71 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 71 I C -0.142 175.993 176.117 0.030 0.000 1.040 71 I CA -1.110 60.193 61.300 0.004 0.000 1.068 71 I CB 2.430 40.433 38.000 0.006 0.000 1.251 71 I HN 0.175 nan 8.210 nan 0.000 0.424 72 V N 5.549 125.485 119.914 0.037 0.000 2.458 72 V HA -0.041 4.079 4.120 -0.000 0.000 0.287 72 V C 1.337 177.475 176.094 0.073 0.000 1.009 72 V CA 0.436 62.767 62.300 0.053 0.000 1.091 72 V CB 0.580 32.425 31.823 0.038 0.000 0.960 72 V HN 0.843 nan 8.190 nan 0.000 0.476 73 E N 3.606 123.875 120.200 0.114 0.000 2.140 73 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 73 E C 0.612 177.254 176.600 0.070 0.000 0.973 73 E CA 1.062 57.544 56.400 0.136 0.000 0.829 73 E CB 0.684 30.542 29.700 0.262 0.000 0.781 73 E HN 0.859 nan 8.360 nan 0.000 0.466 74 S N -0.905 114.828 115.700 0.055 0.000 2.586 74 S HA 0.415 4.884 4.470 -0.000 0.000 0.277 74 S C -0.698 173.914 174.600 0.019 0.000 1.131 74 S CA -0.462 57.753 58.200 0.025 0.000 0.848 74 S CB 1.145 64.349 63.200 0.007 0.000 1.091 74 S HN 0.179 nan 8.310 nan 0.000 0.453 75 V N -0.121 119.795 119.914 0.004 0.000 2.960 75 V HA 1.045 5.165 4.120 -0.000 0.000 0.315 75 V C 0.670 176.748 176.094 -0.027 0.000 1.087 75 V CA 0.002 62.298 62.300 -0.006 0.000 0.982 75 V CB 1.123 32.943 31.823 -0.006 0.000 1.039 75 V HN 1.492 nan 8.190 nan 0.000 0.437 76 G N 1.264 110.038 108.800 -0.043 0.000 2.525 76 G HA2 0.472 4.432 3.960 -0.000 0.000 0.287 76 G HA3 0.472 4.432 3.960 -0.000 0.000 0.287 76 G C -0.235 174.598 174.900 -0.113 0.000 1.350 76 G CA -0.811 44.248 45.100 -0.069 0.000 1.039 76 G HN 0.921 nan 8.290 nan 0.000 0.513 77 E N -0.850 119.268 120.200 -0.137 0.000 2.436 77 E HA 0.293 4.643 4.350 -0.000 0.000 0.262 77 E C 1.282 177.693 176.600 -0.316 0.000 1.063 77 E CA 0.865 57.163 56.400 -0.170 0.000 0.944 77 E CB 0.341 29.956 29.700 -0.141 0.000 0.950 77 E HN 0.936 nan 8.360 nan 0.000 0.444 78 G N 1.057 109.714 108.800 -0.240 0.000 2.196 78 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.268 78 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.268 78 G C 0.265 175.065 174.900 -0.167 0.000 0.975 78 G CA 0.364 45.309 45.100 -0.258 0.000 0.648 78 G HN 0.368 nan 8.290 nan 0.000 0.538 79 V N 1.754 121.584 119.914 -0.141 0.000 2.385 79 V HA 0.546 4.666 4.120 -0.000 0.000 0.269 79 V C 1.332 177.419 176.094 -0.011 0.000 1.043 79 V CA 0.879 63.158 62.300 -0.035 0.000 0.906 79 V CB 1.129 32.933 31.823 -0.031 0.000 0.995 79 V HN 0.670 nan 8.190 nan 0.000 0.467 80 T N 0.521 115.084 114.554 0.014 0.000 2.958 80 T HA 0.156 4.505 4.350 -0.000 0.000 0.256 80 T C 1.204 175.914 174.700 0.016 0.000 0.983 80 T CA -0.284 61.824 62.100 0.012 0.000 0.924 80 T CB 0.114 68.991 68.868 0.014 0.000 1.136 80 T HN 0.486 nan 8.240 nan 0.000 0.506 81 K N 0.701 121.115 120.400 0.024 0.000 2.305 81 K HA 0.350 4.670 4.320 -0.000 0.000 0.199 81 K C 0.240 176.851 176.600 0.019 0.000 1.047 81 K CA 0.435 56.735 56.287 0.022 0.000 0.976 81 K CB 0.137 32.653 32.500 0.026 0.000 0.765 81 K HN 0.358 nan 8.250 nan 0.000 0.474 82 L N 1.348 122.582 121.223 0.019 0.000 2.341 82 L HA 0.415 4.755 4.340 -0.000 0.000 0.267 82 L C -0.638 176.241 176.870 0.014 0.000 1.009 82 L CA -0.979 53.872 54.840 0.017 0.000 0.819 82 L CB 1.951 44.022 42.059 0.021 0.000 1.323 82 L HN -0.015 nan 8.230 nan 0.000 0.425 83 K N 0.949 121.358 120.400 0.015 0.000 2.555 83 K HA 0.786 5.106 4.320 -0.000 0.000 0.279 83 K C -1.150 175.461 176.600 0.018 0.000 0.986 83 K CA -0.956 55.339 56.287 0.013 0.000 0.880 83 K CB 1.731 34.237 32.500 0.010 0.000 1.474 83 K HN 0.490 nan 8.250 nan 0.000 0.433 84 A N 0.315 123.147 122.820 0.020 0.000 2.565 84 A HA 0.406 4.726 4.320 -0.000 0.000 0.237 84 A C 1.281 178.880 177.584 0.025 0.000 1.053 84 A CA 1.389 53.443 52.037 0.027 0.000 0.755 84 A CB -1.178 17.837 19.000 0.026 0.000 0.980 84 A HN 1.510 nan 8.150 nan 0.000 0.506 85 G N 1.878 110.696 108.800 0.030 0.000 2.279 85 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.223 85 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.223 85 G C 0.026 174.938 174.900 0.020 0.000 1.015 85 G CA 0.218 45.333 45.100 0.024 0.000 0.621 85 G HN 0.833 nan 8.290 nan 0.000 0.506 86 D N 2.015 122.427 120.400 0.019 0.000 2.472 86 D HA 0.418 5.058 4.640 -0.000 0.000 0.237 86 D C 0.630 176.939 176.300 0.015 0.000 1.141 86 D CA 0.931 54.940 54.000 0.016 0.000 0.875 86 D CB 0.829 41.639 40.800 0.016 0.000 1.192 86 D HN 0.207 nan 8.370 nan 0.000 0.450 87 T N 1.207 115.768 114.554 0.011 0.000 2.771 87 T HA 0.498 4.848 4.350 -0.000 0.000 0.291 87 T C 0.339 175.044 174.700 0.008 0.000 0.954 87 T CA -0.674 61.431 62.100 0.009 0.000 1.045 87 T CB 0.801 69.675 68.868 0.009 0.000 0.917 87 T HN 0.269 nan 8.240 nan 0.000 0.484 88 V N 0.677 120.595 119.914 0.005 0.000 3.206 88 V HA 0.756 4.876 4.120 -0.000 0.000 0.305 88 V C -1.279 174.815 176.094 0.001 0.000 1.257 88 V CA -1.307 60.996 62.300 0.005 0.000 1.057 88 V CB 2.021 33.850 31.823 0.010 0.000 1.075 88 V HN 0.811 nan 8.190 nan 0.000 0.443 89 I N 1.804 122.374 120.570 0.000 0.000 2.478 89 I HA 0.538 4.708 4.170 -0.000 0.000 0.287 89 I C -2.726 173.389 176.117 -0.004 0.000 1.042 89 I CA -2.042 59.257 61.300 -0.001 0.000 1.067 89 I CB 2.837 40.837 38.000 0.000 0.000 1.233 89 I HN 0.509 nan 8.210 nan 0.000 0.431 90 P HA 0.321 nan 4.420 nan 0.000 0.275 90 P C -1.202 176.081 177.300 -0.029 0.000 1.228 90 P CA -0.182 62.920 63.100 0.003 0.000 0.786 90 P CB 0.612 32.331 31.700 0.031 0.000 0.927 91 L N 2.768 123.948 121.223 -0.072 0.000 2.381 91 L HA 0.392 4.732 4.340 -0.000 0.000 0.274 91 L C 0.942 177.701 176.870 -0.186 0.000 0.988 91 L CA -0.769 53.943 54.840 -0.214 0.000 0.824 91 L CB 1.470 43.371 42.059 -0.264 0.000 1.263 91 L HN 0.487 nan 8.230 nan 0.000 0.410 92 Y N 1.464 121.613 120.300 -0.253 0.000 2.561 92 Y HA 0.301 4.851 4.550 0.000 0.000 0.291 92 Y C 0.556 176.317 175.900 -0.231 0.000 1.141 92 Y CA -0.196 57.771 58.100 -0.221 0.000 1.303 92 Y CB 0.127 38.452 38.460 -0.225 0.000 1.015 92 Y HN 0.216 nan 8.280 nan 0.000 0.547 93 I N 5.084 125.287 120.570 -0.612 0.000 2.405 93 I HA 0.316 4.486 4.170 -0.000 0.000 0.280 93 I C -2.472 173.471 176.117 -0.289 0.000 1.027 93 I CA -3.026 58.022 61.300 -0.420 0.000 1.161 93 I CB 1.013 38.691 38.000 -0.536 0.000 1.300 93 I HN 0.013 nan 8.210 nan 0.000 0.463 94 P HA 0.192 nan 4.420 nan 0.000 0.289 94 P C -0.844 176.420 177.300 -0.060 0.000 1.299 94 P CA -0.432 62.606 63.100 -0.105 0.000 0.766 94 P CB 1.451 33.101 31.700 -0.083 0.000 1.226 95 Q N -0.471 119.310 119.800 -0.033 0.000 3.258 95 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 95 Q C 0.705 176.703 176.000 -0.003 0.000 0.873 95 Q CA -0.416 55.386 55.803 -0.002 0.000 0.752 95 Q CB 0.096 28.847 28.738 0.022 0.000 1.396 95 Q HN 0.606 nan 8.270 nan 0.000 0.463 96 C N 0.427 119.721 119.300 -0.009 0.000 2.432 96 C HA 0.312 4.772 4.460 -0.000 0.000 0.280 96 C C 1.628 176.617 174.990 -0.002 0.000 1.353 96 C CA 0.917 59.925 59.018 -0.016 0.000 1.766 96 C CB -1.086 26.638 27.740 -0.026 0.000 1.924 96 C HN 1.065 nan 8.230 nan 0.000 0.509 97 G N 0.795 109.605 108.800 0.016 0.000 2.153 97 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 97 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 97 G C 0.441 175.352 174.900 0.019 0.000 0.994 97 G CA 0.830 45.944 45.100 0.023 0.000 0.698 97 G HN 0.763 nan 8.290 nan 0.000 0.521 98 E N -1.504 118.707 120.200 0.019 0.000 2.568 98 E HA 0.141 4.491 4.350 -0.000 0.000 0.220 98 E C 1.686 178.303 176.600 0.029 0.000 0.869 98 E CA 0.170 56.579 56.400 0.015 0.000 1.268 98 E CB 0.236 29.934 29.700 -0.002 0.000 1.252 98 E HN 0.792 nan 8.360 nan 0.000 0.606 99 C N 0.953 120.283 119.300 0.050 0.000 2.563 99 C HA 0.324 4.783 4.460 -0.000 0.000 0.358 99 C C 1.869 176.925 174.990 0.110 0.000 1.336 99 C CA -0.511 58.559 59.018 0.087 0.000 2.454 99 C CB 1.338 29.149 27.740 0.117 0.000 2.448 99 C HN 0.265 nan 8.230 nan 0.000 0.670 100 K N -0.333 120.142 120.400 0.125 0.000 2.152 100 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 100 K C 1.508 178.089 176.600 -0.032 0.000 1.048 100 K CA 1.958 58.259 56.287 0.023 0.000 0.933 100 K CB -0.247 32.231 32.500 -0.036 0.000 0.721 100 K HN 0.783 nan 8.250 nan 0.000 0.447 101 F N 0.427 120.373 119.950 -0.007 0.000 2.098 101 F HA -0.149 4.378 4.527 -0.000 0.000 0.294 101 F C 2.584 178.384 175.800 -0.000 0.000 1.107 101 F CA 0.761 58.758 58.000 -0.004 0.000 1.234 101 F CB -0.782 38.215 39.000 -0.005 0.000 1.002 101 F HN 0.066 nan 8.300 nan 0.000 0.472 102 C N 0.342 119.760 119.300 0.197 0.000 2.419 102 C HA -0.127 4.333 4.460 -0.000 0.000 0.281 102 C C 2.702 177.731 174.990 0.065 0.000 1.336 102 C CA 0.668 59.752 59.018 0.109 0.000 1.770 102 C CB -1.409 26.378 27.740 0.078 0.000 1.929 102 C HN 0.400 nan 8.230 nan 0.000 0.509 103 L N 0.514 121.765 121.223 0.047 0.000 2.492 103 L HA 0.063 4.403 4.340 -0.000 0.000 0.223 103 L C 0.872 177.740 176.870 -0.003 0.000 1.132 103 L CA 0.420 55.270 54.840 0.017 0.000 0.850 103 L CB -0.509 41.554 42.059 0.007 0.000 0.966 103 L HN 0.386 nan 8.230 nan 0.000 0.454 104 N N 0.762 119.454 118.700 -0.013 0.000 2.426 104 N HA 0.153 4.893 4.740 -0.000 0.000 0.257 104 N C -1.947 173.556 175.510 -0.011 0.000 1.002 104 N CA -1.755 51.272 53.050 -0.039 0.000 0.942 104 N CB 1.889 40.314 38.487 -0.103 0.000 1.112 104 N HN -0.189 nan 8.380 nan 0.000 0.499 105 P HA -0.066 nan 4.420 nan 0.000 0.223 105 P C 0.262 177.559 177.300 -0.006 0.000 1.144 105 P CA 1.265 64.365 63.100 0.000 0.000 0.783 105 P CB 0.319 32.016 31.700 -0.004 0.000 0.771 106 K N -1.695 118.695 120.400 -0.017 0.000 2.444 106 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 106 K C 0.668 177.265 176.600 -0.005 0.000 1.024 106 K CA 0.375 56.650 56.287 -0.020 0.000 1.077 106 K CB 0.181 32.663 32.500 -0.030 0.000 0.833 106 K HN 0.084 nan 8.250 nan 0.000 0.517 107 T N 0.293 114.859 114.554 0.021 0.000 2.821 107 T HA 0.169 4.518 4.350 -0.000 0.000 0.306 107 T C -1.023 173.736 174.700 0.099 0.000 1.313 107 T CA -0.860 61.282 62.100 0.069 0.000 1.012 107 T CB 1.133 70.076 68.868 0.125 0.000 1.298 107 T HN 0.209 nan 8.240 nan 0.000 0.502 108 N N 2.375 121.145 118.700 0.117 0.000 2.160 108 N HA 0.134 4.874 4.740 -0.000 0.000 0.226 108 N C 0.017 175.593 175.510 0.109 0.000 1.256 108 N CA -0.220 52.903 53.050 0.122 0.000 0.890 108 N CB -0.060 38.509 38.487 0.137 0.000 1.116 108 N HN 0.500 nan 8.380 nan 0.000 0.517 109 L N 1.804 123.108 121.223 0.135 0.000 2.437 109 L HA 0.193 4.533 4.340 -0.000 0.000 0.243 109 L C 0.534 177.319 176.870 -0.142 0.000 1.346 109 L CA -0.595 54.257 54.840 0.019 0.000 1.233 109 L CB -0.509 41.565 42.059 0.025 0.000 1.436 109 L HN 0.180 nan 8.230 nan 0.000 0.416 110 C N 2.035 121.291 119.300 -0.073 0.000 2.596 110 C HA -0.020 4.440 4.460 -0.000 0.000 0.414 110 C C 1.660 176.491 174.990 -0.265 0.000 1.396 110 C CA -0.157 58.798 59.018 -0.104 0.000 1.698 110 C CB 0.221 27.934 27.740 -0.045 0.000 2.572 110 C HN 0.684 nan 8.230 nan 0.000 0.604 111 Q N 3.123 122.721 119.800 -0.335 0.000 2.247 111 Q HA 0.038 4.378 4.340 -0.000 0.000 0.211 111 Q C 1.873 177.773 176.000 -0.167 0.000 0.861 111 Q CA 0.059 55.658 55.803 -0.339 0.000 0.949 111 Q CB -0.124 28.309 28.738 -0.507 0.000 1.115 111 Q HN 0.861 nan 8.270 nan 0.000 0.507 112 K N 1.617 121.952 120.400 -0.108 0.000 2.113 112 K HA -0.131 4.188 4.320 -0.000 0.000 0.208 112 K C 1.620 178.174 176.600 -0.077 0.000 1.047 112 K CA 1.482 57.725 56.287 -0.073 0.000 0.928 112 K CB 0.093 32.558 32.500 -0.058 0.000 0.716 112 K HN 0.338 nan 8.250 nan 0.000 0.446 113 I N -3.619 116.899 120.570 -0.087 0.000 3.966 113 I HA 0.187 4.357 4.170 -0.000 0.000 0.324 113 I C 1.382 177.448 176.117 -0.086 0.000 1.517 113 I CA -0.521 60.731 61.300 -0.081 0.000 1.117 113 I CB 0.306 38.260 38.000 -0.076 0.000 1.190 113 I HN -0.067 nan 8.210 nan 0.000 0.466 114 R N 1.563 122.003 120.500 -0.100 0.000 2.091 114 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 114 R C 1.828 178.080 176.300 -0.080 0.000 1.136 114 R CA 2.128 58.168 56.100 -0.100 0.000 0.959 114 R CB -0.106 30.117 30.300 -0.128 0.000 0.856 114 R HN 0.405 nan 8.270 nan 0.000 0.437 115 V N 0.702 120.573 119.914 -0.072 0.000 2.233 115 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 115 V C 2.568 178.630 176.094 -0.052 0.000 1.050 115 V CA 2.455 64.721 62.300 -0.056 0.000 1.010 115 V CB -0.939 30.856 31.823 -0.046 0.000 0.637 115 V HN 0.671 nan 8.190 nan 0.000 0.444 116 T N -1.648 112.871 114.554 -0.058 0.000 2.777 116 T HA -0.316 4.034 4.350 -0.000 0.000 0.266 116 T C 1.856 176.517 174.700 -0.066 0.000 1.040 116 T CA 1.796 63.859 62.100 -0.060 0.000 1.141 116 T CB -0.474 68.351 68.868 -0.071 0.000 0.868 116 T HN 0.508 nan 8.240 nan 0.000 0.444 117 Q N 1.422 121.178 119.800 -0.074 0.000 2.135 117 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 117 Q C 2.525 178.486 176.000 -0.065 0.000 0.981 117 Q CA 1.783 57.542 55.803 -0.074 0.000 0.856 117 Q CB -0.856 27.835 28.738 -0.078 0.000 0.902 117 Q HN 0.695 nan 8.270 nan 0.000 0.425 118 G N 0.336 109.098 108.800 -0.063 0.000 2.471 118 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 118 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 118 G C 0.999 175.879 174.900 -0.034 0.000 1.125 118 G CA 0.470 45.537 45.100 -0.055 0.000 0.775 118 G HN 0.283 nan 8.290 nan 0.000 0.548 119 K N 0.040 120.423 120.400 -0.029 0.000 2.417 119 K HA 0.286 4.606 4.320 -0.000 0.000 0.196 119 K C 1.313 177.916 176.600 0.004 0.000 1.023 119 K CA 0.268 56.546 56.287 -0.014 0.000 1.122 119 K CB 0.439 32.930 32.500 -0.016 0.000 0.850 119 K HN 0.231 nan 8.250 nan 0.000 0.521 120 G N 1.910 110.717 108.800 0.013 0.000 2.221 120 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.265 120 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.265 120 G C -0.194 174.743 174.900 0.061 0.000 1.041 120 G CA 0.181 45.327 45.100 0.076 0.000 0.807 120 G HN 0.194 nan 8.290 nan 0.000 0.502 121 L N -1.053 120.138 121.223 -0.053 0.000 2.333 121 L HA 0.704 5.044 4.340 -0.000 0.000 0.263 121 L C 0.792 177.500 176.870 -0.270 0.000 1.014 121 L CA -1.653 53.094 54.840 -0.156 0.000 0.820 121 L CB 1.365 43.375 42.059 -0.083 0.000 1.352 121 L HN -0.030 nan 8.230 nan 0.000 0.421 122 M N 0.905 120.293 119.600 -0.354 0.000 2.114 122 M HA 0.214 4.694 4.480 -0.000 0.000 0.293 122 M C -1.504 174.703 176.300 -0.155 0.000 1.201 122 M CA -1.929 53.198 55.300 -0.288 0.000 1.107 122 M CB -0.214 32.221 32.600 -0.275 0.000 1.405 122 M HN 0.234 nan 8.290 nan 0.000 0.486 123 P HA -0.157 nan 4.420 nan 0.000 0.219 123 P C 0.594 177.858 177.300 -0.060 0.000 1.146 123 P CA 1.267 64.322 63.100 -0.075 0.000 0.808 123 P CB -0.066 31.600 31.700 -0.057 0.000 0.779 124 D N -1.229 119.135 120.400 -0.060 0.000 2.363 124 D HA -0.010 4.630 4.640 -0.000 0.000 0.226 124 D C 1.373 177.646 176.300 -0.044 0.000 1.020 124 D CA 0.924 54.898 54.000 -0.043 0.000 0.892 124 D CB -0.906 39.872 40.800 -0.036 0.000 0.900 124 D HN 0.225 nan 8.370 nan 0.000 0.531 125 G N -0.003 108.762 108.800 -0.058 0.000 2.157 125 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 125 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 125 G C 0.392 175.266 174.900 -0.044 0.000 0.979 125 G CA 0.661 45.733 45.100 -0.047 0.000 0.650 125 G HN 0.860 nan 8.290 nan 0.000 0.529 126 T N -2.520 111.997 114.554 -0.061 0.000 2.907 126 T HA 0.779 5.129 4.350 -0.000 0.000 0.290 126 T C -0.160 174.496 174.700 -0.074 0.000 1.066 126 T CA 0.316 62.389 62.100 -0.044 0.000 1.012 126 T CB 2.187 71.038 68.868 -0.029 0.000 1.184 126 T HN 1.178 nan 8.240 nan 0.000 0.522 127 S N -0.669 115.027 115.700 -0.007 0.000 2.549 127 S HA 0.459 4.929 4.470 -0.000 0.000 0.297 127 S C 0.662 175.284 174.600 0.037 0.000 1.115 127 S CA -0.942 57.298 58.200 0.067 0.000 1.059 127 S CB 0.893 64.216 63.200 0.204 0.000 1.046 127 S HN 0.657 nan 8.310 nan 0.000 0.506 128 R N 1.871 122.382 120.500 0.019 0.000 2.334 128 R HA 0.201 4.541 4.340 -0.000 0.000 0.216 128 R C -0.844 175.309 176.300 -0.245 0.000 0.905 128 R CA 0.205 56.195 56.100 -0.183 0.000 1.064 128 R CB -0.384 29.748 30.300 -0.279 0.000 1.046 128 R HN 0.495 nan 8.270 nan 0.000 0.508 129 F N 0.918 120.907 119.950 0.065 0.000 2.421 129 F HA 0.372 4.899 4.527 -0.000 0.000 0.337 129 F C 0.882 176.692 175.800 0.018 0.000 1.105 129 F CA -0.924 57.071 58.000 -0.009 0.000 1.049 129 F CB 1.659 40.593 39.000 -0.109 0.000 1.139 129 F HN -0.185 nan 8.300 nan 0.000 0.479 130 T N -0.801 113.891 114.554 0.230 0.000 2.900 130 T HA 0.648 4.998 4.350 -0.000 0.000 0.303 130 T C -1.391 173.393 174.700 0.140 0.000 1.142 130 T CA -0.935 61.258 62.100 0.156 0.000 1.007 130 T CB 1.445 70.386 68.868 0.122 0.000 1.156 130 T HN 0.937 nan 8.240 nan 0.000 0.490 131 C N 2.817 122.212 119.300 0.158 0.000 2.947 131 C HA 0.621 5.081 4.460 -0.000 0.000 0.401 131 C C -0.180 174.977 174.990 0.279 0.000 1.019 131 C CA -0.465 58.670 59.018 0.194 0.000 1.230 131 C CB -0.366 27.469 27.740 0.158 0.000 1.644 131 C HN 1.233 nan 8.230 nan 0.000 0.523 132 K N 3.972 124.490 120.400 0.197 0.000 3.069 132 K HA -0.194 4.126 4.320 -0.000 0.000 0.267 132 K C 1.056 177.728 176.600 0.120 0.000 1.082 132 K CA 1.366 57.740 56.287 0.145 0.000 0.782 132 K CB -1.525 31.060 32.500 0.141 0.000 1.230 132 K HN 2.163 nan 8.250 nan 0.000 0.488 133 G N -0.483 108.387 108.800 0.117 0.000 2.179 133 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 133 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 133 G C -0.106 174.864 174.900 0.116 0.000 0.977 133 G CA 0.769 45.926 45.100 0.095 0.000 0.641 133 G HN 0.172 nan 8.290 nan 0.000 0.533 134 K N 0.934 121.438 120.400 0.174 0.000 2.164 134 K HA 0.563 4.883 4.320 -0.000 0.000 0.258 134 K C -0.004 176.700 176.600 0.173 0.000 0.951 134 K CA -0.423 55.981 56.287 0.195 0.000 0.844 134 K CB 1.478 34.168 32.500 0.318 0.000 1.099 134 K HN 0.086 nan 8.250 nan 0.000 0.435 135 T N 3.187 117.827 114.554 0.142 0.000 2.832 135 T HA 0.314 4.663 4.350 -0.000 0.000 0.296 135 T C 0.407 175.183 174.700 0.126 0.000 0.968 135 T CA -0.349 61.829 62.100 0.130 0.000 1.107 135 T CB 0.283 69.216 68.868 0.109 0.000 0.916 135 T HN 0.204 nan 8.240 nan 0.000 0.517 136 I N 3.815 124.464 120.570 0.132 0.000 2.441 136 I HA 0.377 4.546 4.170 -0.000 0.000 0.295 136 I C 0.356 176.577 176.117 0.174 0.000 0.994 136 I CA -0.935 60.407 61.300 0.070 0.000 1.144 136 I CB 1.296 39.257 38.000 -0.066 0.000 1.314 136 I HN 0.488 nan 8.210 nan 0.000 0.445 137 L N 5.056 126.348 121.223 0.116 0.000 2.453 137 L HA 0.277 4.617 4.340 -0.000 0.000 0.261 137 L C 0.896 177.924 176.870 0.263 0.000 1.179 137 L CA -0.420 54.535 54.840 0.191 0.000 0.813 137 L CB 0.325 42.435 42.059 0.086 0.000 1.110 137 L HN 0.489 nan 8.230 nan 0.000 0.466 138 H N 0.132 119.331 119.070 0.214 0.000 2.505 138 H HA 0.237 4.793 4.556 -0.000 0.000 0.358 138 H C -1.384 174.063 175.328 0.198 0.000 1.304 138 H CA -0.237 55.976 56.048 0.275 0.000 1.393 138 H CB 1.744 31.616 29.762 0.184 0.000 1.591 138 H HN 0.403 nan 8.280 nan 0.000 0.595 139 Y N 0.333 120.710 120.300 0.129 0.000 2.396 139 Y HA 0.133 4.683 4.550 -0.000 0.000 0.332 139 Y C 0.089 175.987 175.900 -0.003 0.000 1.034 139 Y CA -0.913 57.184 58.100 -0.005 0.000 1.057 139 Y CB 0.766 39.167 38.460 -0.098 0.000 1.220 139 Y HN 0.781 nan 8.280 nan 0.000 0.440 140 M N 4.741 124.009 119.600 -0.553 0.000 2.703 140 M HA -0.305 4.175 4.480 -0.000 0.000 0.186 140 M C 1.150 177.371 176.300 -0.132 0.000 0.582 140 M CA 1.616 56.636 55.300 -0.467 0.000 0.578 140 M CB -1.702 30.448 32.600 -0.749 0.000 2.115 140 M HN 1.318 nan 8.290 nan 0.000 0.611 141 G N -0.654 108.124 108.800 -0.036 0.000 2.166 141 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 141 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 141 G C 0.527 175.481 174.900 0.090 0.000 0.986 141 G CA 1.743 46.862 45.100 0.032 0.000 0.683 141 G HN 0.850 nan 8.290 nan 0.000 0.527 142 T N -4.729 109.890 114.554 0.109 0.000 3.125 142 T HA 0.436 4.786 4.350 -0.000 0.000 0.252 142 T C 1.238 176.031 174.700 0.155 0.000 0.981 142 T CA 1.158 63.331 62.100 0.122 0.000 1.069 142 T CB 0.136 69.061 68.868 0.094 0.000 1.091 142 T HN 1.306 nan 8.240 nan 0.000 0.460 143 S N 2.255 118.037 115.700 0.137 0.000 3.436 143 S HA -0.143 4.327 4.470 -0.000 0.000 0.393 143 S C 0.917 175.533 174.600 0.028 0.000 0.914 143 S CA 0.758 58.999 58.200 0.068 0.000 1.317 143 S CB -1.881 61.400 63.200 0.134 0.000 0.920 143 S HN 1.050 nan 8.310 nan 0.000 0.564 144 T N -2.388 112.150 114.554 -0.026 0.000 3.169 144 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 144 T C 0.452 175.289 174.700 0.227 0.000 1.111 144 T CA -0.008 62.122 62.100 0.050 0.000 1.010 144 T CB -0.258 68.633 68.868 0.039 0.000 0.984 144 T HN 0.366 nan 8.240 nan 0.000 0.537 145 F N 2.649 122.598 119.950 -0.002 0.000 2.949 145 F HA 0.628 5.155 4.527 -0.000 0.000 0.291 145 F C 0.858 176.708 175.800 0.083 0.000 1.214 145 F CA -1.623 56.415 58.000 0.064 0.000 1.381 145 F CB -1.068 38.008 39.000 0.126 0.000 1.066 145 F HN 0.232 nan 8.300 nan 0.000 0.520 146 S N -0.908 114.846 115.700 0.088 0.000 2.556 146 S HA 0.340 4.810 4.470 -0.000 0.000 0.271 146 S C 0.819 175.350 174.600 -0.116 0.000 1.135 146 S CA -0.532 57.691 58.200 0.038 0.000 0.858 146 S CB 1.304 64.486 63.200 -0.031 0.000 1.114 146 S HN 0.311 nan 8.310 nan 0.000 0.468 147 E N 0.685 120.845 120.200 -0.067 0.000 2.204 147 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 147 E C -0.686 175.677 176.600 -0.395 0.000 0.989 147 E CA 1.143 57.412 56.400 -0.219 0.000 0.824 147 E CB 0.101 29.782 29.700 -0.032 0.000 0.756 147 E HN 0.565 nan 8.360 nan 0.000 0.477 148 Y N -1.168 119.158 120.300 0.043 0.000 2.504 148 Y HA 0.345 4.895 4.550 -0.000 0.000 0.344 148 Y C -0.028 175.975 175.900 0.171 0.000 1.023 148 Y CA -0.700 57.451 58.100 0.085 0.000 1.020 148 Y CB 2.540 41.054 38.460 0.090 0.000 1.282 148 Y HN -0.307 nan 8.280 nan 0.000 0.454 149 T N 1.568 116.313 114.554 0.319 0.000 2.883 149 T HA 0.799 5.149 4.350 -0.000 0.000 0.296 149 T C -1.933 172.908 174.700 0.236 0.000 1.117 149 T CA -0.532 61.787 62.100 0.365 0.000 1.006 149 T CB 1.244 70.285 68.868 0.289 0.000 1.191 149 T HN 0.347 nan 8.240 nan 0.000 0.508 150 V N 3.365 123.381 119.914 0.171 0.000 2.604 150 V HA 0.821 4.941 4.120 -0.000 0.000 0.305 150 V C -0.140 176.035 176.094 0.136 0.000 1.043 150 V CA -0.562 61.797 62.300 0.098 0.000 0.888 150 V CB 1.443 33.268 31.823 0.003 0.000 0.995 150 V HN 0.907 nan 8.190 nan 0.000 0.429 151 V N 1.472 121.433 119.914 0.078 0.000 3.130 151 V HA 1.013 5.133 4.120 -0.000 0.000 0.310 151 V C 0.124 176.225 176.094 0.012 0.000 1.158 151 V CA -0.954 61.379 62.300 0.055 0.000 1.029 151 V CB 1.744 33.605 31.823 0.063 0.000 1.057 151 V HN 1.189 nan 8.190 nan 0.000 0.436 152 A N 1.529 124.342 122.820 -0.011 0.000 2.483 152 A HA 0.365 4.685 4.320 -0.000 0.000 0.238 152 A C 1.066 178.656 177.584 0.010 0.000 1.070 152 A CA 0.500 52.531 52.037 -0.011 0.000 0.770 152 A CB -0.034 18.947 19.000 -0.032 0.000 1.008 152 A HN 1.301 nan 8.150 nan 0.000 0.497 153 D N 0.985 121.405 120.400 0.033 0.000 2.371 153 D HA -0.158 4.482 4.640 -0.000 0.000 0.221 153 D C 1.009 177.323 176.300 0.022 0.000 0.986 153 D CA 1.346 55.372 54.000 0.043 0.000 0.899 153 D CB -0.390 40.466 40.800 0.094 0.000 0.902 153 D HN 0.662 nan 8.370 nan 0.000 0.530 154 I N -3.259 117.311 120.570 -0.000 0.000 3.956 154 I HA 0.224 4.394 4.170 -0.000 0.000 0.333 154 I C 0.352 176.453 176.117 -0.027 0.000 1.302 154 I CA -0.342 60.950 61.300 -0.015 0.000 1.122 154 I CB 0.188 38.169 38.000 -0.031 0.000 1.013 154 I HN -0.226 nan 8.210 nan 0.000 0.405 155 S N 1.298 116.983 115.700 -0.025 0.000 2.537 155 S HA 0.418 4.887 4.470 -0.000 0.000 0.246 155 S C 0.077 174.660 174.600 -0.029 0.000 1.036 155 S CA -0.322 57.853 58.200 -0.041 0.000 1.041 155 S CB 0.275 63.455 63.200 -0.033 0.000 0.799 155 S HN 0.207 nan 8.310 nan 0.000 0.456 156 V N 1.487 121.391 119.914 -0.016 0.000 2.638 156 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 156 V C -0.363 175.728 176.094 -0.004 0.000 1.052 156 V CA -1.030 61.267 62.300 -0.006 0.000 0.885 156 V CB 1.626 33.454 31.823 0.009 0.000 0.999 156 V HN 0.342 nan 8.190 nan 0.000 0.424 157 A N 3.859 126.677 122.820 -0.004 0.000 2.271 157 A HA 0.674 4.994 4.320 -0.000 0.000 0.317 157 A C -0.255 177.332 177.584 0.004 0.000 1.245 157 A CA -0.629 51.409 52.037 0.002 0.000 0.857 157 A CB 0.781 19.783 19.000 0.003 0.000 1.175 157 A HN 0.791 nan 8.150 nan 0.000 0.512 158 K N 3.799 124.203 120.400 0.007 0.000 2.262 158 K HA 0.522 4.842 4.320 -0.000 0.000 0.282 158 K C -0.366 176.238 176.600 0.006 0.000 1.066 158 K CA -0.266 56.026 56.287 0.008 0.000 0.901 158 K CB 0.231 32.737 32.500 0.010 0.000 1.089 158 K HN 0.757 nan 8.250 nan 0.000 0.476 159 I N -0.569 120.005 120.570 0.006 0.000 3.133 159 I HA 0.406 4.575 4.170 -0.000 0.000 0.311 159 I C -0.164 175.960 176.117 0.011 0.000 1.072 159 I CA -1.121 60.184 61.300 0.007 0.000 1.015 159 I CB 1.300 39.305 38.000 0.008 0.000 1.233 159 I HN 0.447 nan 8.210 nan 0.000 0.473 160 D N 2.812 123.220 120.400 0.014 0.000 2.520 160 D HA 0.073 4.713 4.640 -0.000 0.000 0.243 160 D C -1.742 174.568 176.300 0.016 0.000 1.160 160 D CA -1.253 52.755 54.000 0.014 0.000 0.877 160 D CB 1.403 42.212 40.800 0.017 0.000 1.150 160 D HN 0.324 nan 8.370 nan 0.000 0.494 161 P HA -0.068 nan 4.420 nan 0.000 0.219 161 P C 1.350 178.659 177.300 0.014 0.000 1.146 161 P CA 0.775 63.882 63.100 0.012 0.000 0.808 161 P CB 0.208 31.913 31.700 0.008 0.000 0.779 162 L N -1.977 119.254 121.223 0.013 0.000 2.492 162 L HA 0.094 4.434 4.340 -0.000 0.000 0.223 162 L C 1.150 178.037 176.870 0.028 0.000 1.132 162 L CA -0.388 54.459 54.840 0.012 0.000 0.850 162 L CB -0.690 41.368 42.059 -0.001 0.000 0.966 162 L HN -0.114 nan 8.230 nan 0.000 0.454 163 A N 1.700 124.548 122.820 0.046 0.000 2.477 163 A HA 0.291 4.611 4.320 -0.000 0.000 0.246 163 A C -2.060 175.578 177.584 0.089 0.000 1.078 163 A CA -0.956 51.139 52.037 0.097 0.000 0.770 163 A CB -0.457 18.609 19.000 0.110 0.000 1.011 163 A HN -0.034 nan 8.150 nan 0.000 0.494 164 P HA 0.128 nan 4.420 nan 0.000 0.274 164 P C 0.681 178.009 177.300 0.048 0.000 1.291 164 P CA -0.083 63.069 63.100 0.086 0.000 0.815 164 P CB 0.591 32.364 31.700 0.120 0.000 0.897 165 L N 2.437 123.672 121.223 0.019 0.000 2.187 165 L HA -0.155 4.185 4.340 -0.000 0.000 0.213 165 L C 1.805 178.664 176.870 -0.019 0.000 1.100 165 L CA 1.540 56.376 54.840 -0.006 0.000 0.765 165 L CB -0.792 41.258 42.059 -0.015 0.000 0.904 165 L HN 0.378 nan 8.230 nan 0.000 0.437 166 D N -0.913 119.481 120.400 -0.011 0.000 2.336 166 D HA -0.091 4.549 4.640 -0.000 0.000 0.229 166 D C 1.520 177.810 176.300 -0.017 0.000 1.061 166 D CA 0.502 54.493 54.000 -0.015 0.000 0.875 166 D CB 0.394 41.191 40.800 -0.006 0.000 0.904 166 D HN 0.170 nan 8.370 nan 0.000 0.525 167 K N -0.088 120.293 120.400 -0.032 0.000 2.363 167 K HA 0.093 4.413 4.320 -0.000 0.000 0.215 167 K C 1.909 178.408 176.600 -0.169 0.000 1.179 167 K CA 0.969 57.206 56.287 -0.083 0.000 0.856 167 K CB -0.365 32.097 32.500 -0.063 0.000 1.371 167 K HN 0.016 nan 8.250 nan 0.000 0.455 168 V N 0.716 120.527 119.914 -0.172 0.000 3.330 168 V HA -0.176 3.944 4.120 -0.000 0.000 0.273 168 V C 1.968 177.997 176.094 -0.110 0.000 1.179 168 V CA 1.453 63.642 62.300 -0.185 0.000 1.174 168 V CB -1.924 29.839 31.823 -0.101 0.000 0.794 168 V HN 0.415 nan 8.190 nan 0.000 0.527 169 C N -0.555 118.698 119.300 -0.079 0.000 2.419 169 C HA 0.062 4.522 4.460 -0.000 0.000 0.283 169 C C 2.282 177.239 174.990 -0.056 0.000 1.373 169 C CA 0.376 59.363 59.018 -0.052 0.000 1.781 169 C CB -1.820 25.895 27.740 -0.041 0.000 1.886 169 C HN 0.577 nan 8.230 nan 0.000 0.520 170 L N 0.277 121.446 121.223 -0.089 0.000 2.478 170 L HA 0.087 4.426 4.340 -0.000 0.000 0.223 170 L C 2.433 179.238 176.870 -0.108 0.000 1.140 170 L CA 0.694 55.471 54.840 -0.104 0.000 0.842 170 L CB -0.442 41.528 42.059 -0.148 0.000 0.953 170 L HN 0.352 nan 8.230 nan 0.000 0.452 171 L N -0.199 120.964 121.223 -0.100 0.000 2.610 171 L HA 0.032 4.372 4.340 -0.000 0.000 0.232 171 L C 2.132 179.062 176.870 0.101 0.000 1.149 171 L CA 0.297 55.096 54.840 -0.069 0.000 0.872 171 L CB -0.384 41.608 42.059 -0.111 0.000 0.992 171 L HN 0.249 nan 8.230 nan 0.000 0.447 172 G N -1.960 106.909 108.800 0.116 0.000 2.985 172 G HA2 0.002 3.962 3.960 -0.000 0.000 0.209 172 G HA3 0.002 3.962 3.960 -0.000 0.000 0.209 172 G C 0.656 175.800 174.900 0.407 0.000 1.165 172 G CA 0.570 45.791 45.100 0.203 0.000 0.776 172 G HN 0.454 nan 8.290 nan 0.000 0.541 173 C N -2.508 117.036 119.300 0.406 0.000 3.495 173 C HA 0.490 4.950 4.460 -0.000 0.000 0.105 173 C C 2.774 177.952 174.990 0.314 0.000 2.738 173 C CA 1.510 60.835 59.018 0.512 0.000 0.845 173 C CB -0.280 27.679 27.740 0.366 0.000 1.780 173 C HN 0.324 nan 8.230 nan 0.000 0.599 174 G N 1.758 110.644 108.800 0.144 0.000 2.514 174 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 174 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 174 G C 1.356 176.202 174.900 -0.090 0.000 1.198 174 G CA 1.720 46.842 45.100 0.038 0.000 0.780 174 G HN 0.732 nan 8.290 nan 0.000 0.565 175 I N 0.812 121.211 120.570 -0.285 0.000 2.127 175 I HA -0.203 3.967 4.170 -0.000 0.000 0.241 175 I C 3.089 179.134 176.117 -0.120 0.000 1.075 175 I CA 1.450 62.496 61.300 -0.424 0.000 1.334 175 I CB -0.471 37.146 38.000 -0.639 0.000 1.040 175 I HN 0.124 nan 8.210 nan 0.000 0.405 176 S N 0.296 115.942 115.700 -0.091 0.000 2.370 176 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 176 S C 2.047 176.700 174.600 0.088 0.000 1.033 176 S CA 2.051 60.214 58.200 -0.063 0.000 1.011 176 S CB -0.486 62.461 63.200 -0.421 0.000 0.852 176 S HN 0.481 nan 8.310 nan 0.000 0.457 177 T N 1.593 116.146 114.554 -0.002 0.000 2.622 177 T HA -0.078 4.271 4.350 -0.000 0.000 0.266 177 T C 2.093 176.833 174.700 0.066 0.000 1.047 177 T CA 1.477 63.605 62.100 0.048 0.000 1.159 177 T CB -1.020 67.944 68.868 0.161 0.000 0.863 177 T HN 0.549 nan 8.240 nan 0.000 0.422 178 G N -0.021 108.822 108.800 0.072 0.000 2.421 178 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 178 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 178 G C 1.430 176.372 174.900 0.070 0.000 1.171 178 G CA 0.850 45.977 45.100 0.046 0.000 0.775 178 G HN 0.493 nan 8.290 nan 0.000 0.543 179 Y N 2.093 122.405 120.300 0.019 0.000 2.128 179 Y HA -0.069 4.480 4.550 -0.000 0.000 0.284 179 Y C 2.777 178.733 175.900 0.093 0.000 1.154 179 Y CA 1.501 59.651 58.100 0.083 0.000 1.149 179 Y CB -0.759 37.796 38.460 0.159 0.000 0.976 179 Y HN 0.112 nan 8.280 nan 0.000 0.505 180 G N -0.388 108.448 108.800 0.061 0.000 2.422 180 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 180 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 180 G C 1.866 176.533 174.900 -0.389 0.000 1.146 180 G CA 1.009 45.804 45.100 -0.508 0.000 0.769 180 G HN 0.628 nan 8.290 nan 0.000 0.547 181 A N 1.075 123.805 122.820 -0.149 0.000 1.940 181 A HA 0.193 4.512 4.320 -0.000 0.000 0.219 181 A C 2.765 180.419 177.584 0.116 0.000 1.176 181 A CA 2.401 54.452 52.037 0.023 0.000 0.631 181 A CB -0.650 18.445 19.000 0.158 0.000 0.814 181 A HN 0.735 nan 8.150 nan 0.000 0.446 182 A N -0.462 122.317 122.820 -0.069 0.000 1.855 182 A HA 0.109 4.429 4.320 -0.000 0.000 0.213 182 A C 2.213 179.711 177.584 -0.144 0.000 1.195 182 A CA 1.903 53.892 52.037 -0.079 0.000 0.610 182 A CB -0.948 17.915 19.000 -0.227 0.000 0.837 182 A HN 1.135 nan 8.150 nan 0.000 0.444 183 V N -2.720 117.021 119.914 -0.287 0.000 3.354 183 V HA 0.098 4.218 4.120 -0.000 0.000 0.258 183 V C 1.216 177.113 176.094 -0.329 0.000 1.159 183 V CA 1.782 63.900 62.300 -0.305 0.000 1.125 183 V CB -0.778 30.819 31.823 -0.376 0.000 0.774 183 V HN 0.510 nan 8.190 nan 0.000 0.464 184 N N 0.202 118.648 118.700 -0.424 0.000 2.571 184 N HA 0.035 4.775 4.740 -0.000 0.000 0.195 184 N C 1.693 177.055 175.510 -0.246 0.000 1.040 184 N CA 0.999 53.799 53.050 -0.418 0.000 0.890 184 N CB 0.286 38.343 38.487 -0.717 0.000 1.233 184 N HN 0.336 nan 8.380 nan 0.000 0.435 185 T N 0.288 114.725 114.554 -0.194 0.000 2.814 185 T HA 0.110 4.460 4.350 -0.000 0.000 0.254 185 T C 1.990 176.671 174.700 -0.031 0.000 1.037 185 T CA 1.034 63.082 62.100 -0.085 0.000 1.143 185 T CB -0.194 68.652 68.868 -0.037 0.000 0.866 185 T HN 0.214 nan 8.240 nan 0.000 0.431 186 A N 1.083 123.896 122.820 -0.010 0.000 1.898 186 A HA 0.092 4.412 4.320 -0.000 0.000 0.214 186 A C 1.017 178.517 177.584 -0.139 0.000 1.183 186 A CA 0.882 52.896 52.037 -0.037 0.000 0.622 186 A CB -0.310 18.664 19.000 -0.043 0.000 0.824 186 A HN 0.512 nan 8.150 nan 0.000 0.444 187 K N -0.559 119.743 120.400 -0.163 0.000 3.148 187 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 187 K C -0.260 176.204 176.600 -0.227 0.000 0.996 187 K CA 0.616 56.810 56.287 -0.156 0.000 0.737 187 K CB -2.170 30.279 32.500 -0.084 0.000 1.308 187 K HN 0.747 nan 8.250 nan 0.000 0.470 188 L N -1.233 119.738 121.223 -0.420 0.000 2.506 188 L HA 0.184 4.523 4.340 -0.000 0.000 0.281 188 L C 0.409 177.174 176.870 -0.174 0.000 1.228 188 L CA -0.109 54.391 54.840 -0.567 0.000 0.850 188 L CB 0.460 42.141 42.059 -0.631 0.000 1.110 188 L HN -0.028 nan 8.230 nan 0.000 0.496 189 E N 2.361 122.536 120.200 -0.041 0.000 2.280 189 E HA 0.459 4.809 4.350 -0.000 0.000 0.264 189 E C -2.372 174.237 176.600 0.016 0.000 1.064 189 E CA -1.866 54.536 56.400 0.003 0.000 0.900 189 E CB 0.280 29.997 29.700 0.030 0.000 1.123 189 E HN 0.526 nan 8.360 nan 0.000 0.418 190 P HA 0.077 nan 4.420 nan 0.000 0.265 190 P C 0.444 177.758 177.300 0.023 0.000 1.193 190 P CA 0.999 64.108 63.100 0.016 0.000 0.765 190 P CB 0.576 32.281 31.700 0.008 0.000 0.823 191 G N 1.504 110.324 108.800 0.033 0.000 2.195 191 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 191 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 191 G C 0.418 175.357 174.900 0.065 0.000 0.984 191 G CA -0.049 45.072 45.100 0.036 0.000 0.633 191 G HN 0.571 nan 8.290 nan 0.000 0.525 192 S N -0.267 115.494 115.700 0.101 0.000 2.563 192 S HA 0.385 4.855 4.470 -0.000 0.000 0.284 192 S C 0.656 175.364 174.600 0.180 0.000 1.331 192 S CA 0.076 58.387 58.200 0.185 0.000 1.047 192 S CB 1.841 65.216 63.200 0.290 0.000 0.859 192 S HN 0.733 nan 8.310 nan 0.000 0.514 193 V N 3.427 123.463 119.914 0.203 0.000 2.364 193 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 193 V C 0.123 176.351 176.094 0.223 0.000 1.036 193 V CA -0.508 61.893 62.300 0.169 0.000 0.880 193 V CB 0.165 32.074 31.823 0.142 0.000 0.991 193 V HN 1.023 nan 8.190 nan 0.000 0.460 194 C N 3.840 123.263 119.300 0.205 0.000 2.667 194 C HA 0.970 5.430 4.460 -0.000 0.000 0.323 194 C C 0.370 175.471 174.990 0.184 0.000 1.214 194 C CA -0.860 58.320 59.018 0.269 0.000 1.721 194 C CB 1.355 29.288 27.740 0.321 0.000 2.275 194 C HN 0.959 nan 8.230 nan 0.000 0.491 195 A N 1.098 124.061 122.820 0.238 0.000 2.398 195 A HA 0.802 5.122 4.320 -0.000 0.000 0.301 195 A C -1.335 176.376 177.584 0.212 0.000 1.041 195 A CA -0.298 51.800 52.037 0.100 0.000 0.711 195 A CB 1.037 20.073 19.000 0.060 0.000 1.240 195 A HN 0.768 nan 8.150 nan 0.000 0.420 196 V N 2.627 122.555 119.914 0.022 0.000 2.407 196 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 196 V C -1.230 174.852 176.094 -0.021 0.000 1.018 196 V CA -0.281 62.100 62.300 0.136 0.000 0.842 196 V CB 0.845 32.703 31.823 0.059 0.000 0.996 196 V HN 0.701 nan 8.190 nan 0.000 0.426 197 F N 3.001 123.032 119.950 0.135 0.000 2.390 197 F HA 0.707 5.234 4.527 -0.000 0.000 0.361 197 F C 0.970 176.828 175.800 0.097 0.000 1.124 197 F CA -0.093 57.970 58.000 0.105 0.000 1.149 197 F CB 1.293 40.351 39.000 0.097 0.000 1.160 197 F HN 0.769 nan 8.300 nan 0.000 0.501 198 G N 4.081 112.999 108.800 0.197 0.000 3.434 198 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 198 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 198 G C -0.821 174.144 174.900 0.108 0.000 1.099 198 G CA -1.115 44.073 45.100 0.147 0.000 0.931 198 G HN 0.684 nan 8.290 nan 0.000 0.520 199 L N 2.766 124.050 121.223 0.101 0.000 3.096 199 L HA 0.467 4.807 4.340 -0.000 0.000 0.247 199 L C 1.513 178.423 176.870 0.066 0.000 1.321 199 L CA 0.069 54.958 54.840 0.082 0.000 1.044 199 L CB 0.117 42.252 42.059 0.127 0.000 1.434 199 L HN 0.729 nan 8.230 nan 0.000 0.533 200 G N -0.718 108.121 108.800 0.066 0.000 2.531 200 G HA2 0.369 4.329 3.960 -0.000 0.000 0.281 200 G HA3 0.369 4.329 3.960 -0.000 0.000 0.281 200 G C 1.036 175.989 174.900 0.089 0.000 1.382 200 G CA 0.153 45.301 45.100 0.079 0.000 1.045 200 G HN 0.262 nan 8.290 nan 0.000 0.533 201 G N -1.172 107.712 108.800 0.140 0.000 2.469 201 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 201 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 201 G C 1.638 176.619 174.900 0.134 0.000 1.136 201 G CA 1.577 46.803 45.100 0.211 0.000 0.759 201 G HN 0.424 nan 8.290 nan 0.000 0.562 202 V N 1.439 121.404 119.914 0.085 0.000 2.261 202 V HA -0.060 4.060 4.120 -0.000 0.000 0.246 202 V C 3.169 179.291 176.094 0.046 0.000 1.047 202 V CA 2.076 64.414 62.300 0.063 0.000 1.015 202 V CB -1.206 30.667 31.823 0.083 0.000 0.642 202 V HN 0.440 nan 8.190 nan 0.000 0.446 203 G N -0.183 108.645 108.800 0.047 0.000 2.440 203 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 203 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 203 G C 1.602 176.472 174.900 -0.049 0.000 1.154 203 G CA 1.028 46.139 45.100 0.018 0.000 0.767 203 G HN 0.466 nan 8.290 nan 0.000 0.552 204 L N 0.581 121.748 121.223 -0.094 0.000 2.083 204 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 204 L C 3.360 180.084 176.870 -0.244 0.000 1.083 204 L CA 0.972 55.601 54.840 -0.352 0.000 0.752 204 L CB -0.341 41.272 42.059 -0.743 0.000 0.899 204 L HN 0.308 nan 8.230 nan 0.000 0.433 205 A N -0.572 122.274 122.820 0.043 0.000 1.969 205 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 205 A C 2.328 179.955 177.584 0.072 0.000 1.169 205 A CA 1.300 53.422 52.037 0.140 0.000 0.635 205 A CB -0.590 18.430 19.000 0.033 0.000 0.810 205 A HN 0.186 nan 8.150 nan 0.000 0.445 206 V N 0.228 120.113 119.914 -0.049 0.000 2.358 206 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 206 V C 2.398 178.377 176.094 -0.191 0.000 1.047 206 V CA 1.910 64.075 62.300 -0.225 0.000 1.035 206 V CB -0.604 30.977 31.823 -0.403 0.000 0.658 206 V HN 0.576 nan 8.190 nan 0.000 0.452 207 I N -0.555 119.952 120.570 -0.104 0.000 2.226 207 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 207 I C 2.520 178.677 176.117 0.067 0.000 1.100 207 I CA 2.119 63.402 61.300 -0.029 0.000 1.374 207 I CB -0.321 37.681 38.000 0.003 0.000 1.057 207 I HN 0.336 nan 8.210 nan 0.000 0.413 208 M N 0.772 120.455 119.600 0.139 0.000 2.108 208 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 208 M C 2.172 178.610 176.300 0.230 0.000 1.066 208 M CA 2.362 57.809 55.300 0.245 0.000 1.107 208 M CB -0.477 32.323 32.600 0.333 0.000 1.356 208 M HN 0.274 nan 8.290 nan 0.000 0.406 209 G N -0.592 108.363 108.800 0.258 0.000 2.402 209 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 209 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 209 G C 1.398 176.358 174.900 0.100 0.000 1.162 209 G CA 0.982 46.262 45.100 0.301 0.000 0.777 209 G HN 0.578 nan 8.290 nan 0.000 0.539 210 C N 0.069 119.373 119.300 0.007 0.000 2.425 210 C HA 0.060 4.520 4.460 -0.000 0.000 0.277 210 C C 2.749 177.766 174.990 0.046 0.000 1.280 210 C CA 1.132 60.149 59.018 -0.001 0.000 1.744 210 C CB -0.392 27.337 27.740 -0.019 0.000 1.989 210 C HN 0.437 nan 8.230 nan 0.000 0.491 211 K N 1.190 121.633 120.400 0.073 0.000 2.057 211 K HA -0.042 4.277 4.320 -0.000 0.000 0.206 211 K C 1.798 178.447 176.600 0.082 0.000 1.050 211 K CA 1.319 57.651 56.287 0.075 0.000 0.935 211 K CB -0.637 31.913 32.500 0.084 0.000 0.715 211 K HN 0.279 nan 8.250 nan 0.000 0.439 212 V N 0.862 120.850 119.914 0.124 0.000 2.407 212 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 212 V C 2.153 178.303 176.094 0.094 0.000 1.055 212 V CA 1.952 64.335 62.300 0.137 0.000 1.049 212 V CB -0.731 31.248 31.823 0.260 0.000 0.662 212 V HN 0.450 nan 8.190 nan 0.000 0.455 213 A N -0.716 122.145 122.820 0.067 0.000 2.167 213 A HA 0.349 4.669 4.320 -0.000 0.000 0.214 213 A C 1.885 179.483 177.584 0.024 0.000 1.151 213 A CA 1.070 53.123 52.037 0.026 0.000 0.735 213 A CB -0.448 18.543 19.000 -0.015 0.000 0.802 213 A HN 1.296 nan 8.150 nan 0.000 0.467 214 G N -1.756 107.065 108.800 0.036 0.000 2.142 214 G HA2 0.153 4.113 3.960 -0.000 0.000 0.225 214 G HA3 0.153 4.113 3.960 -0.000 0.000 0.225 214 G C 0.331 175.252 174.900 0.035 0.000 1.015 214 G CA 0.202 45.322 45.100 0.032 0.000 0.716 214 G HN 1.541 nan 8.290 nan 0.000 0.508 215 A N 0.167 123.013 122.820 0.043 0.000 2.498 215 A HA 0.663 4.983 4.320 -0.000 0.000 0.239 215 A C 1.719 179.335 177.584 0.052 0.000 1.068 215 A CA 1.268 53.340 52.037 0.059 0.000 0.766 215 A CB 0.370 19.413 19.000 0.071 0.000 1.003 215 A HN 1.787 nan 8.150 nan 0.000 0.497 216 S N 1.763 117.498 115.700 0.057 0.000 2.421 216 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 216 S C 0.883 175.509 174.600 0.044 0.000 1.035 216 S CA 0.667 58.894 58.200 0.045 0.000 0.953 216 S CB 0.002 63.227 63.200 0.042 0.000 0.810 216 S HN 0.774 nan 8.310 nan 0.000 0.497 217 R N 0.148 120.682 120.500 0.057 0.000 2.538 217 R HA 0.628 4.968 4.340 -0.000 0.000 0.292 217 R C -1.958 174.376 176.300 0.057 0.000 1.008 217 R CA -0.563 55.566 56.100 0.048 0.000 0.896 217 R CB 1.333 31.661 30.300 0.047 0.000 1.187 217 R HN 0.339 nan 8.270 nan 0.000 0.440 218 I N 6.681 127.272 120.570 0.034 0.000 2.466 218 I HA 0.318 4.488 4.170 -0.000 0.000 0.279 218 I C -0.363 175.747 176.117 -0.012 0.000 1.033 218 I CA -0.570 60.748 61.300 0.031 0.000 1.123 218 I CB 1.669 39.687 38.000 0.030 0.000 1.237 218 I HN 0.476 nan 8.210 nan 0.000 0.460 219 I N 5.305 125.857 120.570 -0.028 0.000 2.312 219 I HA 0.329 4.498 4.170 -0.000 0.000 0.291 219 I C 0.976 177.001 176.117 -0.153 0.000 1.031 219 I CA -0.165 61.076 61.300 -0.099 0.000 1.293 219 I CB 1.139 39.074 38.000 -0.109 0.000 1.403 219 I HN 0.575 nan 8.210 nan 0.000 0.484 220 G N 5.790 114.479 108.800 -0.185 0.000 2.356 220 G HA2 0.551 4.511 3.960 -0.000 0.000 0.298 220 G HA3 0.551 4.511 3.960 -0.000 0.000 0.298 220 G C -0.693 174.047 174.900 -0.266 0.000 1.145 220 G CA -0.250 44.733 45.100 -0.194 0.000 0.850 220 G HN 0.369 nan 8.290 nan 0.000 0.487 221 V N 2.871 122.648 119.914 -0.228 0.000 2.531 221 V HA 0.600 4.720 4.120 -0.000 0.000 0.301 221 V C -0.894 175.237 176.094 0.061 0.000 1.034 221 V CA -0.712 61.483 62.300 -0.175 0.000 0.865 221 V CB 1.901 33.433 31.823 -0.485 0.000 0.995 221 V HN 0.827 nan 8.190 nan 0.000 0.424 222 D N 2.293 122.845 120.400 0.252 0.000 2.706 222 D HA 0.330 4.969 4.640 -0.000 0.000 0.225 222 D C 0.517 176.966 176.300 0.248 0.000 1.241 222 D CA -0.457 53.704 54.000 0.267 0.000 0.784 222 D CB 2.411 43.391 40.800 0.301 0.000 1.521 222 D HN 0.483 nan 8.370 nan 0.000 0.461 223 I N -0.362 120.290 120.570 0.137 0.000 3.251 223 I HA 0.173 4.343 4.170 -0.000 0.000 0.277 223 I C 0.613 176.725 176.117 -0.008 0.000 1.268 223 I CA 0.159 61.511 61.300 0.087 0.000 1.449 223 I CB -0.079 37.964 38.000 0.072 0.000 1.083 223 I HN -0.023 nan 8.210 nan 0.000 0.464 224 N N 2.995 121.662 118.700 -0.056 0.000 2.527 224 N HA 0.106 4.846 4.740 -0.000 0.000 0.236 224 N C 0.894 176.154 175.510 -0.416 0.000 0.999 224 N CA -0.456 52.502 53.050 -0.154 0.000 0.935 224 N CB 1.020 39.458 38.487 -0.081 0.000 1.132 224 N HN 0.367 nan 8.380 nan 0.000 0.511 225 K N 1.662 121.693 120.400 -0.615 0.000 2.360 225 K HA -0.084 4.236 4.320 -0.000 0.000 0.201 225 K C -0.032 176.094 176.600 -0.789 0.000 1.046 225 K CA 0.972 56.505 56.287 -1.256 0.000 0.945 225 K CB 0.237 32.298 32.500 -0.732 0.000 0.750 225 K HN 0.284 nan 8.250 nan 0.000 0.464 226 D N 1.523 121.705 120.400 -0.363 0.000 2.310 226 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 226 D C 1.282 177.532 176.300 -0.084 0.000 0.965 226 D CA 0.778 54.681 54.000 -0.162 0.000 0.879 226 D CB 0.137 40.887 40.800 -0.082 0.000 0.921 226 D HN 0.233 nan 8.370 nan 0.000 0.510 227 K N 0.145 120.481 120.400 -0.106 0.000 2.418 227 K HA 0.008 4.328 4.320 -0.000 0.000 0.195 227 K C 1.688 178.438 176.600 0.250 0.000 1.035 227 K CA 0.044 56.371 56.287 0.068 0.000 1.003 227 K CB -0.145 32.410 32.500 0.092 0.000 0.793 227 K HN 0.161 nan 8.250 nan 0.000 0.494 228 F N 1.615 121.583 119.950 0.030 0.000 2.113 228 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 228 F C 2.528 178.348 175.800 0.033 0.000 1.103 228 F CA 0.413 58.430 58.000 0.029 0.000 1.248 228 F CB -1.477 37.539 39.000 0.026 0.000 0.999 228 F HN -0.011 nan 8.300 nan 0.000 0.475 229 A N 0.272 123.231 122.820 0.232 0.000 1.873 229 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 229 A C 2.433 180.085 177.584 0.113 0.000 1.193 229 A CA 2.288 54.405 52.037 0.133 0.000 0.629 229 A CB -1.008 18.043 19.000 0.085 0.000 0.826 229 A HN 0.331 nan 8.150 nan 0.000 0.447 230 R N -0.614 119.961 120.500 0.124 0.000 2.115 230 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 230 R C 2.264 178.702 176.300 0.230 0.000 1.111 230 R CA 1.310 57.499 56.100 0.149 0.000 0.976 230 R CB -0.394 29.996 30.300 0.150 0.000 0.870 230 R HN 0.463 nan 8.270 nan 0.000 0.445 231 A N 1.205 124.136 122.820 0.185 0.000 1.902 231 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 231 A C 1.904 179.572 177.584 0.139 0.000 1.181 231 A CA 1.571 53.701 52.037 0.156 0.000 0.623 231 A CB -0.293 18.773 19.000 0.110 0.000 0.818 231 A HN 0.336 nan 8.150 nan 0.000 0.443 232 K N -0.441 120.017 120.400 0.097 0.000 2.097 232 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 232 K C 1.908 178.535 176.600 0.044 0.000 1.050 232 K CA 1.477 57.796 56.287 0.053 0.000 0.938 232 K CB -0.169 32.353 32.500 0.037 0.000 0.718 232 K HN 0.596 nan 8.250 nan 0.000 0.442 233 E N -0.070 120.152 120.200 0.037 0.000 2.153 233 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 233 E C 1.453 177.972 176.600 -0.134 0.000 0.988 233 E CA 0.999 57.362 56.400 -0.062 0.000 0.811 233 E CB -0.042 29.594 29.700 -0.107 0.000 0.746 233 E HN 0.217 nan 8.360 nan 0.000 0.466 234 F N -1.134 118.779 119.950 -0.061 0.000 2.710 234 F HA 0.130 4.657 4.527 -0.000 0.000 0.298 234 F C 1.667 177.447 175.800 -0.034 0.000 1.137 234 F CA 0.988 58.948 58.000 -0.067 0.000 1.444 234 F CB 1.060 40.006 39.000 -0.090 0.000 1.111 234 F HN 0.117 nan 8.300 nan 0.000 0.580 235 G N -0.781 108.089 108.800 0.118 0.000 2.425 235 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.177 235 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.177 235 G C 0.230 175.160 174.900 0.050 0.000 0.999 235 G CA -0.415 44.728 45.100 0.071 0.000 0.723 235 G HN 0.433 nan 8.290 nan 0.000 0.491 236 A N 1.311 124.160 122.820 0.048 0.000 2.524 236 A HA 0.532 4.852 4.320 -0.000 0.000 0.250 236 A C 1.727 179.306 177.584 -0.008 0.000 1.078 236 A CA 1.607 53.648 52.037 0.007 0.000 0.761 236 A CB 0.165 19.153 19.000 -0.020 0.000 1.012 236 A HN 1.329 nan 8.150 nan 0.000 0.500 237 T N -0.351 114.194 114.554 -0.014 0.000 3.055 237 T HA 0.167 4.517 4.350 -0.000 0.000 0.265 237 T C 0.368 175.047 174.700 -0.036 0.000 1.111 237 T CA 1.034 63.126 62.100 -0.015 0.000 1.118 237 T CB -0.547 68.319 68.868 -0.004 0.000 0.909 237 T HN 0.979 nan 8.240 nan 0.000 0.501 238 E N -1.431 118.726 120.200 -0.071 0.000 2.392 238 E HA 0.490 4.840 4.350 -0.000 0.000 0.281 238 E C -1.990 174.480 176.600 -0.216 0.000 1.088 238 E CA -1.275 55.057 56.400 -0.113 0.000 0.850 238 E CB 0.545 30.198 29.700 -0.078 0.000 1.267 238 E HN 0.119 nan 8.360 nan 0.000 0.438 239 C N 1.660 120.745 119.300 -0.360 0.000 2.634 239 C HA 0.824 5.284 4.460 -0.000 0.000 0.313 239 C C -0.389 174.232 174.990 -0.615 0.000 1.198 239 C CA -0.514 58.087 59.018 -0.696 0.000 1.605 239 C CB 0.533 27.402 27.740 -1.452 0.000 2.196 239 C HN 0.694 nan 8.230 nan 0.000 0.486 240 I N 0.567 120.875 120.570 -0.436 0.000 2.730 240 I HA 0.604 4.774 4.170 -0.000 0.000 0.298 240 I C -1.039 175.203 176.117 0.209 0.000 1.089 240 I CA -0.367 60.918 61.300 -0.024 0.000 1.041 240 I CB 1.852 39.866 38.000 0.024 0.000 1.235 240 I HN 0.483 nan 8.210 nan 0.000 0.423 241 N N 5.318 124.286 118.700 0.446 0.000 2.444 241 N HA 0.451 5.190 4.740 -0.000 0.000 0.262 241 N C -2.142 173.613 175.510 0.409 0.000 0.974 241 N CA -2.403 50.902 53.050 0.426 0.000 0.933 241 N CB 2.028 40.725 38.487 0.349 0.000 1.137 241 N HN 0.378 nan 8.380 nan 0.000 0.498 242 P HA -0.135 nan 4.420 nan 0.000 0.218 242 P C 0.664 178.145 177.300 0.302 0.000 1.146 242 P CA 1.413 64.691 63.100 0.296 0.000 0.813 242 P CB 0.370 32.192 31.700 0.204 0.000 0.778 243 Q N -0.994 118.932 119.800 0.210 0.000 2.364 243 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 243 Q C 0.830 176.875 176.000 0.076 0.000 0.970 243 Q CA 0.834 56.714 55.803 0.128 0.000 0.888 243 Q CB -0.368 28.418 28.738 0.080 0.000 0.951 243 Q HN 0.343 nan 8.270 nan 0.000 0.469 244 D N -0.496 119.937 120.400 0.054 0.000 2.328 244 D HA 0.051 4.691 4.640 -0.000 0.000 0.226 244 D C -0.595 175.343 176.300 -0.604 0.000 1.066 244 D CA 0.534 54.367 54.000 -0.279 0.000 0.861 244 D CB 0.177 40.723 40.800 -0.424 0.000 0.912 244 D HN 0.054 nan 8.370 nan 0.000 0.521 245 F N -0.402 119.573 119.950 0.042 0.000 2.576 245 F HA 0.178 4.705 4.527 -0.000 0.000 0.313 245 F C 1.459 177.277 175.800 0.031 0.000 1.078 245 F CA -1.051 56.969 58.000 0.034 0.000 0.921 245 F CB 1.643 40.664 39.000 0.034 0.000 1.232 245 F HN -0.319 nan 8.300 nan 0.000 0.459 246 S N -0.172 115.642 115.700 0.191 0.000 2.470 246 S HA 0.139 4.609 4.470 -0.000 0.000 0.225 246 S C 0.492 175.161 174.600 0.114 0.000 1.006 246 S CA 0.131 58.401 58.200 0.117 0.000 0.934 246 S CB -0.211 63.033 63.200 0.074 0.000 0.778 246 S HN 0.512 nan 8.310 nan 0.000 0.517 247 K N 2.102 122.585 120.400 0.139 0.000 2.098 247 K HA 0.412 4.732 4.320 -0.000 0.000 0.257 247 K C -2.836 173.806 176.600 0.071 0.000 0.999 247 K CA -2.230 54.107 56.287 0.084 0.000 0.924 247 K CB 0.156 32.694 32.500 0.062 0.000 1.028 247 K HN 0.072 nan 8.250 nan 0.000 0.466 248 P HA -0.052 nan 4.420 nan 0.000 0.266 248 P C 0.659 177.966 177.300 0.011 0.000 1.195 248 P CA -0.040 63.079 63.100 0.032 0.000 0.768 248 P CB 0.385 32.093 31.700 0.013 0.000 0.838 249 I N 2.925 123.516 120.570 0.034 0.000 2.248 249 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 249 I C 2.022 178.144 176.117 0.008 0.000 1.107 249 I CA 1.718 63.027 61.300 0.016 0.000 1.373 249 I CB -0.611 37.475 38.000 0.144 0.000 1.055 249 I HN 0.411 nan 8.210 nan 0.000 0.418 250 Q N -0.074 119.741 119.800 0.025 0.000 2.224 250 Q HA -0.226 4.114 4.340 -0.000 0.000 0.203 250 Q C 1.805 177.779 176.000 -0.043 0.000 0.970 250 Q CA 1.722 57.526 55.803 0.002 0.000 0.865 250 Q CB -0.731 27.984 28.738 -0.037 0.000 0.922 250 Q HN 0.634 nan 8.270 nan 0.000 0.445 251 E N 0.578 120.748 120.200 -0.050 0.000 2.112 251 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 251 E C 2.180 178.729 176.600 -0.085 0.000 0.979 251 E CA 0.944 57.309 56.400 -0.058 0.000 0.814 251 E CB 0.243 29.921 29.700 -0.037 0.000 0.762 251 E HN 0.163 nan 8.360 nan 0.000 0.460 252 V N 1.447 121.277 119.914 -0.140 0.000 2.307 252 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 252 V C 2.307 178.286 176.094 -0.191 0.000 1.045 252 V CA 1.427 63.580 62.300 -0.245 0.000 1.024 252 V CB -0.410 31.070 31.823 -0.572 0.000 0.651 252 V HN 0.268 nan 8.190 nan 0.000 0.449 253 L N -0.665 120.468 121.223 -0.151 0.000 2.046 253 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 253 L C 2.390 179.221 176.870 -0.066 0.000 1.077 253 L CA 1.690 56.472 54.840 -0.096 0.000 0.747 253 L CB -0.499 41.538 42.059 -0.036 0.000 0.896 253 L HN 0.265 nan 8.230 nan 0.000 0.432 254 I N -0.241 120.286 120.570 -0.071 0.000 2.208 254 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 254 I C 2.629 178.709 176.117 -0.063 0.000 1.097 254 I CA 1.486 62.738 61.300 -0.080 0.000 1.363 254 I CB -0.249 37.690 38.000 -0.101 0.000 1.051 254 I HN 0.369 nan 8.210 nan 0.000 0.413 255 E N 1.112 121.276 120.200 -0.060 0.000 2.072 255 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 255 E C 2.351 178.936 176.600 -0.027 0.000 0.985 255 E CA 1.235 57.611 56.400 -0.040 0.000 0.801 255 E CB -0.028 29.649 29.700 -0.037 0.000 0.750 255 E HN 0.392 nan 8.360 nan 0.000 0.452 256 M N 0.127 119.702 119.600 -0.040 0.000 2.296 256 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 256 M C 1.671 177.970 176.300 -0.002 0.000 1.064 256 M CA 1.727 57.013 55.300 -0.025 0.000 1.109 256 M CB 0.164 32.733 32.600 -0.050 0.000 1.396 256 M HN 0.178 nan 8.290 nan 0.000 0.430 257 T N -4.579 109.978 114.554 0.005 0.000 3.182 257 T HA 0.189 4.538 4.350 -0.000 0.000 0.277 257 T C 0.119 174.859 174.700 0.068 0.000 1.013 257 T CA -0.182 61.943 62.100 0.041 0.000 0.900 257 T CB -0.127 68.775 68.868 0.057 0.000 1.098 257 T HN 0.342 nan 8.240 nan 0.000 0.543 258 D N 0.457 120.879 120.400 0.037 0.000 2.689 258 D HA -0.093 4.547 4.640 -0.000 0.000 0.237 258 D C 1.127 177.452 176.300 0.042 0.000 1.148 258 D CA 1.823 55.849 54.000 0.044 0.000 0.656 258 D CB -1.353 39.492 40.800 0.075 0.000 1.050 258 D HN 0.897 nan 8.370 nan 0.000 0.426 259 G N -1.547 107.213 108.800 -0.066 0.000 2.705 259 G HA2 0.428 4.388 3.960 -0.000 0.000 0.193 259 G HA3 0.428 4.388 3.960 -0.000 0.000 0.193 259 G C 0.971 175.642 174.900 -0.383 0.000 1.015 259 G CA 0.579 45.482 45.100 -0.328 0.000 0.743 259 G HN 1.652 nan 8.290 nan 0.000 0.476 260 G N -1.474 107.273 108.800 -0.088 0.000 2.357 260 G HA2 0.497 4.457 3.960 -0.000 0.000 0.643 260 G HA3 0.497 4.457 3.960 -0.000 0.000 0.643 260 G C -0.080 174.863 174.900 0.071 0.000 1.358 260 G CA 0.224 45.287 45.100 -0.062 0.000 0.986 260 G HN 1.809 nan 8.290 nan 0.000 0.620 261 V N -1.423 118.516 119.914 0.042 0.000 3.133 261 V HA 0.607 4.727 4.120 -0.000 0.000 0.305 261 V C 0.963 177.087 176.094 0.050 0.000 1.084 261 V CA 0.678 63.028 62.300 0.083 0.000 1.089 261 V CB 1.470 33.352 31.823 0.099 0.000 1.073 261 V HN 0.657 nan 8.190 nan 0.000 0.477 262 D N -0.165 120.292 120.400 0.095 0.000 2.213 262 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 262 D C -0.236 175.799 176.300 -0.442 0.000 0.961 262 D CA 1.775 55.753 54.000 -0.036 0.000 0.853 262 D CB -0.007 40.863 40.800 0.115 0.000 0.967 262 D HN 0.716 nan 8.370 nan 0.000 0.496 263 Y N -0.432 119.912 120.300 0.073 0.000 2.433 263 Y HA 0.313 4.863 4.550 -0.000 0.000 0.337 263 Y C -0.190 175.679 175.900 -0.053 0.000 1.026 263 Y CA -1.139 56.929 58.100 -0.052 0.000 1.037 263 Y CB 2.021 40.471 38.460 -0.017 0.000 1.245 263 Y HN -0.282 nan 8.280 nan 0.000 0.443 264 S N 1.932 117.578 115.700 -0.090 0.000 2.536 264 S HA 0.874 5.344 4.470 -0.000 0.000 0.298 264 S C -1.451 173.046 174.600 -0.170 0.000 1.083 264 S CA -0.723 57.526 58.200 0.082 0.000 0.995 264 S CB 1.377 64.671 63.200 0.156 0.000 1.058 264 S HN 0.346 nan 8.310 nan 0.000 0.488 265 F N 0.749 120.871 119.950 0.287 0.000 2.536 265 F HA 0.460 4.987 4.527 -0.000 0.000 0.322 265 F C 0.234 176.198 175.800 0.273 0.000 1.144 265 F CA -0.681 57.455 58.000 0.227 0.000 0.924 265 F CB 1.841 40.944 39.000 0.171 0.000 1.181 265 F HN 0.601 nan 8.300 nan 0.000 0.438 266 E N 2.805 123.190 120.200 0.308 0.000 2.089 266 E HA 0.296 4.646 4.350 -0.000 0.000 0.284 266 E C -0.914 175.813 176.600 0.212 0.000 1.023 266 E CA -0.056 56.475 56.400 0.218 0.000 0.819 266 E CB 1.094 30.841 29.700 0.077 0.000 1.076 266 E HN 0.773 nan 8.360 nan 0.000 0.396 267 C N 6.119 125.552 119.300 0.222 0.000 2.534 267 C HA 0.435 4.895 4.460 -0.000 0.000 0.285 267 C C 1.415 176.471 174.990 0.109 0.000 1.505 267 C CA -0.363 58.749 59.018 0.156 0.000 1.715 267 C CB -1.214 26.617 27.740 0.153 0.000 2.935 267 C HN 0.713 nan 8.230 nan 0.000 0.540 268 I N -0.108 120.515 120.570 0.089 0.000 3.878 268 I HA 0.339 4.509 4.170 -0.000 0.000 0.273 268 I C 1.798 177.917 176.117 0.003 0.000 1.165 268 I CA 0.923 62.250 61.300 0.044 0.000 1.360 268 I CB 0.088 38.131 38.000 0.072 0.000 1.539 268 I HN 0.361 nan 8.210 nan 0.000 0.447 269 G N 2.568 111.373 108.800 0.008 0.000 2.145 269 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.176 269 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.176 269 G C -0.255 174.631 174.900 -0.023 0.000 1.013 269 G CA -0.217 44.869 45.100 -0.025 0.000 0.689 269 G HN 0.302 nan 8.290 nan 0.000 0.506 270 N N 0.781 119.481 118.700 -0.001 0.000 2.469 270 N HA 0.372 5.112 4.740 -0.000 0.000 0.253 270 N C 1.809 177.323 175.510 0.005 0.000 0.970 270 N CA 0.203 53.256 53.050 0.006 0.000 0.940 270 N CB 1.779 40.279 38.487 0.022 0.000 1.128 270 N HN 0.593 nan 8.380 nan 0.000 0.503 271 V N 2.911 122.827 119.914 0.003 0.000 2.469 271 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 271 V C 2.196 178.310 176.094 0.033 0.000 1.064 271 V CA 1.578 63.885 62.300 0.011 0.000 1.066 271 V CB -0.558 31.265 31.823 0.000 0.000 0.667 271 V HN 0.600 nan 8.190 nan 0.000 0.461 272 K N 0.106 120.520 120.400 0.023 0.000 2.097 272 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 272 K C 1.960 178.558 176.600 -0.003 0.000 1.050 272 K CA 1.672 57.973 56.287 0.022 0.000 0.938 272 K CB -0.111 32.404 32.500 0.024 0.000 0.718 272 K HN 0.480 nan 8.250 nan 0.000 0.442 273 V N 1.258 121.160 119.914 -0.019 0.000 2.667 273 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 273 V C 2.156 178.129 176.094 -0.201 0.000 1.065 273 V CA 1.324 63.566 62.300 -0.097 0.000 1.083 273 V CB -0.333 31.470 31.823 -0.033 0.000 0.692 273 V HN 0.364 nan 8.190 nan 0.000 0.468 274 M N -0.288 119.279 119.600 -0.055 0.000 2.159 274 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 274 M C 2.431 178.803 176.300 0.121 0.000 1.063 274 M CA 1.812 57.141 55.300 0.048 0.000 1.110 274 M CB -0.481 32.207 32.600 0.148 0.000 1.374 274 M HN 0.214 nan 8.290 nan 0.000 0.411 275 R N 0.735 121.303 120.500 0.112 0.000 2.075 275 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 275 R C 2.188 178.392 176.300 -0.161 0.000 1.126 275 R CA 1.577 57.700 56.100 0.039 0.000 0.963 275 R CB -0.257 30.086 30.300 0.072 0.000 0.858 275 R HN 0.326 nan 8.270 nan 0.000 0.435 276 A N 0.914 123.633 122.820 -0.168 0.000 1.902 276 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 276 A C 2.396 179.784 177.584 -0.328 0.000 1.181 276 A CA 1.739 53.654 52.037 -0.203 0.000 0.623 276 A CB -0.872 18.035 19.000 -0.155 0.000 0.818 276 A HN 0.558 nan 8.150 nan 0.000 0.443 277 A N -0.521 121.955 122.820 -0.573 0.000 1.908 277 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 277 A C 2.171 179.550 177.584 -0.342 0.000 1.181 277 A CA 1.826 53.494 52.037 -0.616 0.000 0.627 277 A CB -0.635 17.973 19.000 -0.653 0.000 0.818 277 A HN 0.741 nan 8.150 nan 0.000 0.445 278 L N 0.186 121.141 121.223 -0.447 0.000 2.027 278 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 278 L C 2.139 178.736 176.870 -0.454 0.000 1.074 278 L CA 2.460 56.909 54.840 -0.651 0.000 0.745 278 L CB -0.599 40.667 42.059 -1.322 0.000 0.898 278 L HN 0.522 nan 8.230 nan 0.000 0.433 279 E N -0.383 119.602 120.200 -0.360 0.000 2.347 279 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 279 E C 1.913 178.403 176.600 -0.183 0.000 1.008 279 E CA 0.691 56.943 56.400 -0.247 0.000 0.852 279 E CB -0.207 29.384 29.700 -0.182 0.000 0.783 279 E HN 0.641 nan 8.360 nan 0.000 0.505 280 A N 0.692 123.423 122.820 -0.148 0.000 2.169 280 A HA 0.005 4.325 4.320 -0.000 0.000 0.212 280 A C 1.121 178.650 177.584 -0.091 0.000 1.153 280 A CA -0.044 51.956 52.037 -0.062 0.000 0.756 280 A CB -0.127 18.926 19.000 0.088 0.000 0.813 280 A HN 0.212 nan 8.150 nan 0.000 0.471 281 C N 0.705 119.908 119.300 -0.161 0.000 2.652 281 C HA 0.243 4.703 4.460 -0.000 0.000 0.412 281 C C 0.865 175.712 174.990 -0.240 0.000 1.294 281 C CA -0.635 58.272 59.018 -0.186 0.000 2.127 281 C CB -0.448 27.142 27.740 -0.249 0.000 2.691 281 C HN 0.597 nan 8.230 nan 0.000 0.615 282 H N 2.600 121.446 119.070 -0.373 0.000 2.815 282 H HA 0.118 4.674 4.556 -0.000 0.000 0.350 282 H C 0.283 175.195 175.328 -0.694 0.000 1.080 282 H CA 0.578 56.302 56.048 -0.540 0.000 1.433 282 H CB 0.532 29.876 29.762 -0.696 0.000 1.432 282 H HN 0.644 nan 8.280 nan 0.000 0.592 283 K N 1.818 121.820 120.400 -0.664 0.000 2.380 283 K HA 0.109 4.429 4.320 -0.000 0.000 0.267 283 K C 0.933 177.234 176.600 -0.499 0.000 0.990 283 K CA 0.817 56.812 56.287 -0.487 0.000 0.946 283 K CB 0.153 32.394 32.500 -0.433 0.000 0.937 283 K HN 0.874 nan 8.250 nan 0.000 0.491 284 G N 3.360 111.964 108.800 -0.326 0.000 2.498 284 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.229 284 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.229 284 G C 0.222 175.142 174.900 0.034 0.000 1.156 284 G CA 0.734 45.756 45.100 -0.130 0.000 0.680 284 G HN 0.927 nan 8.290 nan 0.000 0.512 285 W N 0.314 121.573 121.300 -0.069 0.000 1.807 285 W HA 0.640 5.300 4.660 0.000 0.000 0.251 285 W C 0.841 177.233 176.519 -0.211 0.000 0.848 285 W CA -0.194 57.070 57.345 -0.135 0.000 1.157 285 W CB -0.258 29.113 29.460 -0.149 0.000 0.992 285 W HN 0.741 nan 8.180 nan 0.000 0.506 286 G N 1.970 110.535 108.800 -0.391 0.000 2.414 286 G HA2 0.377 4.337 3.960 -0.000 0.000 0.236 286 G HA3 0.377 4.337 3.960 -0.000 0.000 0.236 286 G C -0.891 173.842 174.900 -0.278 0.000 1.293 286 G CA 0.326 45.224 45.100 -0.336 0.000 0.869 286 G HN 0.125 nan 8.290 nan 0.000 0.556 287 V N 1.245 120.959 119.914 -0.332 0.000 2.577 287 V HA 0.550 4.670 4.120 -0.000 0.000 0.303 287 V C 0.003 175.986 176.094 -0.186 0.000 1.042 287 V CA -0.792 61.377 62.300 -0.217 0.000 0.872 287 V CB 1.838 33.583 31.823 -0.130 0.000 0.998 287 V HN 0.825 nan 8.190 nan 0.000 0.423 288 S N 3.645 119.250 115.700 -0.158 0.000 2.473 288 S HA 0.772 5.242 4.470 -0.000 0.000 0.307 288 S C -0.872 173.723 174.600 -0.009 0.000 1.094 288 S CA -0.443 57.668 58.200 -0.148 0.000 1.070 288 S CB 1.513 64.570 63.200 -0.237 0.000 1.019 288 S HN 0.496 nan 8.310 nan 0.000 0.480 289 V N 5.549 125.394 119.914 -0.116 0.000 2.384 289 V HA 0.413 4.533 4.120 -0.000 0.000 0.287 289 V C -0.262 175.895 176.094 0.105 0.000 1.020 289 V CA -0.779 61.519 62.300 -0.004 0.000 0.850 289 V CB 1.606 33.381 31.823 -0.081 0.000 0.987 289 V HN 0.734 nan 8.190 nan 0.000 0.436 290 V N 6.225 126.214 119.914 0.123 0.000 2.427 290 V HA 0.171 4.291 4.120 -0.000 0.000 0.268 290 V C 0.788 176.937 176.094 0.093 0.000 1.046 290 V CA 0.196 62.554 62.300 0.098 0.000 0.970 290 V CB 1.266 33.089 31.823 0.001 0.000 1.001 290 V HN 0.748 nan 8.190 nan 0.000 0.476 291 V N 3.846 123.835 119.914 0.124 0.000 3.307 291 V HA 0.275 4.395 4.120 -0.000 0.000 0.244 291 V C 1.483 177.628 176.094 0.086 0.000 1.196 291 V CA 0.749 63.122 62.300 0.122 0.000 1.132 291 V CB -0.019 31.905 31.823 0.168 0.000 0.875 291 V HN 0.869 nan 8.190 nan 0.000 0.468 292 G N 0.688 109.532 108.800 0.073 0.000 2.491 292 G HA2 0.364 4.324 3.960 -0.000 0.000 0.242 292 G HA3 0.364 4.324 3.960 -0.000 0.000 0.242 292 G C -0.490 174.409 174.900 -0.001 0.000 1.266 292 G CA 0.024 45.146 45.100 0.037 0.000 0.844 292 G HN 0.116 nan 8.290 nan 0.000 0.571 293 V N 2.321 122.217 119.914 -0.031 0.000 2.318 293 V HA 0.492 4.612 4.120 -0.000 0.000 0.271 293 V C 0.947 176.974 176.094 -0.111 0.000 1.030 293 V CA -0.629 61.631 62.300 -0.067 0.000 0.844 293 V CB 0.311 32.086 31.823 -0.081 0.000 1.015 293 V HN 1.025 nan 8.190 nan 0.000 0.460 294 A N 4.541 127.309 122.820 -0.087 0.000 2.366 294 A HA 0.754 5.074 4.320 -0.000 0.000 0.249 294 A C 0.844 178.367 177.584 -0.101 0.000 1.084 294 A CA 0.240 52.226 52.037 -0.086 0.000 0.794 294 A CB 0.407 19.372 19.000 -0.058 0.000 1.034 294 A HN 1.238 nan 8.150 nan 0.000 0.491 295 A N 1.317 124.089 122.820 -0.079 0.000 2.448 295 A HA 0.484 4.804 4.320 -0.000 0.000 0.239 295 A C 1.024 178.629 177.584 0.036 0.000 1.080 295 A CA 0.345 52.375 52.037 -0.012 0.000 0.779 295 A CB -0.447 18.590 19.000 0.062 0.000 1.026 295 A HN 2.070 nan 8.150 nan 0.000 0.499 296 S N 0.652 116.411 115.700 0.099 0.000 2.560 296 S HA 0.428 4.898 4.470 -0.000 0.000 0.284 296 S C 1.312 175.940 174.600 0.047 0.000 1.327 296 S CA 0.318 58.561 58.200 0.071 0.000 1.055 296 S CB 0.564 63.821 63.200 0.094 0.000 0.868 296 S HN 2.598 nan 8.310 nan 0.000 0.506 297 G N 1.785 110.600 108.800 0.025 0.000 2.396 297 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 297 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 297 G C -0.069 174.835 174.900 0.007 0.000 1.069 297 G CA 0.309 45.419 45.100 0.017 0.000 0.633 297 G HN 0.863 nan 8.290 nan 0.000 0.517 298 E N 1.826 122.030 120.200 0.007 0.000 2.398 298 E HA 0.443 4.793 4.350 -0.000 0.000 0.263 298 E C 0.413 177.000 176.600 -0.021 0.000 1.046 298 E CA 0.706 57.105 56.400 -0.001 0.000 0.908 298 E CB 0.354 30.054 29.700 0.000 0.000 0.963 298 E HN 0.768 nan 8.360 nan 0.000 0.431 299 E N 1.778 121.965 120.200 -0.023 0.000 2.367 299 E HA 0.476 4.826 4.350 -0.000 0.000 0.273 299 E C -0.428 176.147 176.600 -0.042 0.000 0.903 299 E CA -0.857 55.516 56.400 -0.046 0.000 0.764 299 E CB 1.236 30.913 29.700 -0.039 0.000 1.252 299 E HN 0.445 nan 8.360 nan 0.000 0.446 300 I N -0.953 119.561 120.570 -0.094 0.000 2.577 300 I HA 0.820 4.990 4.170 -0.000 0.000 0.300 300 I C -0.365 175.764 176.117 0.020 0.000 0.990 300 I CA -0.762 60.501 61.300 -0.061 0.000 1.283 300 I CB 1.459 39.283 38.000 -0.294 0.000 1.411 300 I HN 0.671 nan 8.210 nan 0.000 0.515 301 A N 3.341 126.268 122.820 0.179 0.000 2.606 301 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 301 A C -0.502 177.229 177.584 0.246 0.000 1.082 301 A CA -0.438 51.714 52.037 0.190 0.000 0.685 301 A CB 2.010 21.066 19.000 0.093 0.000 1.284 301 A HN 0.894 nan 8.150 nan 0.000 0.408 302 T N -0.442 114.224 114.554 0.187 0.000 2.686 302 T HA 0.434 4.784 4.350 -0.000 0.000 0.308 302 T C -1.495 173.251 174.700 0.077 0.000 1.667 302 T CA -0.647 61.508 62.100 0.091 0.000 0.987 302 T CB 0.969 69.835 68.868 -0.004 0.000 1.652 302 T HN 0.745 nan 8.240 nan 0.000 0.496 303 R N 2.126 122.656 120.500 0.050 0.000 2.308 303 R HA 0.314 4.654 4.340 -0.000 0.000 0.305 303 R C -1.391 174.964 176.300 0.091 0.000 1.053 303 R CA -1.858 54.285 56.100 0.071 0.000 0.957 303 R CB 1.020 31.363 30.300 0.072 0.000 1.022 303 R HN 0.459 nan 8.270 nan 0.000 0.461 304 P HA -0.246 nan 4.420 nan 0.000 0.219 304 P C 1.047 178.393 177.300 0.077 0.000 1.144 304 P CA 1.231 64.376 63.100 0.076 0.000 0.806 304 P CB 0.016 31.757 31.700 0.069 0.000 0.771 305 F N 1.686 121.615 119.950 -0.036 0.000 2.154 305 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 305 F C 2.273 178.029 175.800 -0.074 0.000 1.087 305 F CA 1.683 59.653 58.000 -0.050 0.000 1.274 305 F CB -0.700 38.269 39.000 -0.052 0.000 1.009 305 F HN -0.151 nan 8.300 nan 0.000 0.485 306 Q N -0.178 119.586 119.800 -0.061 0.000 2.096 306 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 306 Q C 2.268 178.114 176.000 -0.256 0.000 0.982 306 Q CA 1.395 57.078 55.803 -0.200 0.000 0.850 306 Q CB -0.723 27.915 28.738 -0.166 0.000 0.901 306 Q HN 0.392 nan 8.270 nan 0.000 0.422 307 L N -0.610 120.511 121.223 -0.169 0.000 2.095 307 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 307 L C 2.402 179.178 176.870 -0.157 0.000 1.080 307 L CA 0.862 55.622 54.840 -0.133 0.000 0.759 307 L CB -1.033 41.000 42.059 -0.044 0.000 0.914 307 L HN -0.043 nan 8.230 nan 0.000 0.439 308 V N -0.334 119.476 119.914 -0.174 0.000 2.490 308 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 308 V C 2.017 177.955 176.094 -0.261 0.000 1.061 308 V CA 1.988 64.184 62.300 -0.174 0.000 1.064 308 V CB -1.200 30.543 31.823 -0.133 0.000 0.670 308 V HN 0.651 nan 8.190 nan 0.000 0.461 309 T N -2.451 111.840 114.554 -0.440 0.000 3.324 309 T HA 0.468 4.817 4.350 -0.000 0.000 0.250 309 T C 1.273 175.794 174.700 -0.298 0.000 1.059 309 T CA 0.698 62.531 62.100 -0.446 0.000 0.951 309 T CB 0.378 68.795 68.868 -0.751 0.000 1.030 309 T HN 0.781 nan 8.240 nan 0.000 0.576 310 G N 1.491 110.159 108.800 -0.220 0.000 2.278 310 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.210 310 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.210 310 G C 0.250 175.052 174.900 -0.163 0.000 1.000 310 G CA -0.690 44.314 45.100 -0.160 0.000 0.635 310 G HN 0.628 nan 8.290 nan 0.000 0.495 311 R N 0.769 121.140 120.500 -0.215 0.000 2.582 311 R HA 0.586 4.926 4.340 -0.000 0.000 0.271 311 R C -0.476 175.734 176.300 -0.150 0.000 1.078 311 R CA 0.551 56.521 56.100 -0.218 0.000 1.127 311 R CB 0.674 30.801 30.300 -0.289 0.000 1.038 311 R HN 0.149 nan 8.270 nan 0.000 0.500 312 T N 1.105 115.581 114.554 -0.130 0.000 2.861 312 T HA 0.237 4.587 4.350 -0.000 0.000 0.287 312 T C -1.428 173.280 174.700 0.014 0.000 1.003 312 T CA -0.549 61.530 62.100 -0.035 0.000 0.977 312 T CB 1.072 69.935 68.868 -0.008 0.000 0.996 312 T HN 0.361 nan 8.240 nan 0.000 0.448 313 W N 4.235 125.497 121.300 -0.063 0.000 2.361 313 W HA 0.565 5.225 4.660 -0.000 0.000 0.314 313 W C -0.275 176.215 176.519 -0.047 0.000 1.041 313 W CA -1.278 56.030 57.345 -0.063 0.000 1.241 313 W CB 0.819 30.245 29.460 -0.058 0.000 1.279 313 W HN 0.596 nan 8.180 nan 0.000 0.436 314 K N 2.106 122.671 120.400 0.275 0.000 2.378 314 K HA 0.892 5.212 4.320 -0.000 0.000 0.244 314 K C -0.086 176.554 176.600 0.067 0.000 1.039 314 K CA -1.008 55.344 56.287 0.109 0.000 0.863 314 K CB 2.325 34.868 32.500 0.073 0.000 1.326 314 K HN 0.476 nan 8.250 nan 0.000 0.460 315 G N -0.499 108.314 108.800 0.023 0.000 2.695 315 G HA2 0.568 4.528 3.960 -0.000 0.000 0.290 315 G HA3 0.568 4.528 3.960 -0.000 0.000 0.290 315 G C -1.517 173.399 174.900 0.027 0.000 1.410 315 G CA -0.269 44.840 45.100 0.014 0.000 0.844 315 G HN 0.356 nan 8.290 nan 0.000 0.478 316 T N -1.544 113.036 114.554 0.042 0.000 2.883 316 T HA 0.709 5.059 4.350 -0.000 0.000 0.301 316 T C -1.286 173.456 174.700 0.070 0.000 1.158 316 T CA 0.175 62.300 62.100 0.041 0.000 1.007 316 T CB 1.588 70.476 68.868 0.033 0.000 1.186 316 T HN 1.608 nan 8.240 nan 0.000 0.499 317 A N 2.599 125.470 122.820 0.085 0.000 2.357 317 A HA 0.712 5.032 4.320 -0.000 0.000 0.295 317 A C -0.168 177.566 177.584 0.250 0.000 1.121 317 A CA -0.528 51.606 52.037 0.160 0.000 0.742 317 A CB 0.042 19.121 19.000 0.132 0.000 1.181 317 A HN 1.528 nan 8.150 nan 0.000 0.454 318 F N 2.357 122.380 119.950 0.123 0.000 3.067 318 F HA -0.241 4.286 4.527 -0.000 0.000 0.279 318 F C 1.416 177.296 175.800 0.132 0.000 0.945 318 F CA 1.578 59.660 58.000 0.137 0.000 0.948 318 F CB -0.849 38.150 39.000 -0.000 0.000 0.898 318 F HN 2.103 nan 8.300 nan 0.000 0.746 319 G N 0.267 109.031 108.800 -0.060 0.000 2.212 319 G HA2 0.046 4.006 3.960 -0.000 0.000 0.267 319 G HA3 0.046 4.006 3.960 -0.000 0.000 0.267 319 G C 2.192 176.748 174.900 -0.574 0.000 1.002 319 G CA 1.245 46.160 45.100 -0.309 0.000 0.729 319 G HN 2.409 nan 8.290 nan 0.000 0.517 320 G N -2.380 106.263 108.800 -0.261 0.000 2.155 320 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 320 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 320 G C 0.417 175.185 174.900 -0.220 0.000 0.983 320 G CA 0.551 45.511 45.100 -0.233 0.000 0.676 320 G HN 1.145 nan 8.290 nan 0.000 0.528 321 W N 0.982 122.261 121.300 -0.035 0.000 2.304 321 W HA 0.528 5.188 4.660 -0.000 0.000 0.313 321 W C 0.977 177.559 176.519 0.104 0.000 1.323 321 W CA -0.863 56.474 57.345 -0.012 0.000 1.223 321 W CB 0.685 30.064 29.460 -0.135 0.000 1.237 321 W HN -0.052 nan 8.180 nan 0.000 0.535 322 K N 3.269 123.865 120.400 0.326 0.000 2.237 322 K HA -0.029 4.291 4.320 -0.000 0.000 0.283 322 K C 1.434 178.175 176.600 0.236 0.000 1.080 322 K CA 0.168 56.587 56.287 0.219 0.000 0.965 322 K CB 0.520 33.111 32.500 0.152 0.000 1.098 322 K HN 0.666 nan 8.250 nan 0.000 0.434 323 S N 1.871 117.721 115.700 0.250 0.000 2.412 323 S HA -0.270 4.200 4.470 -0.000 0.000 0.246 323 S C 1.845 176.511 174.600 0.110 0.000 1.073 323 S CA 2.034 60.363 58.200 0.215 0.000 1.186 323 S CB -0.615 62.597 63.200 0.020 0.000 1.084 323 S HN 0.358 nan 8.310 nan 0.000 0.434 324 V N 3.777 123.725 119.914 0.058 0.000 2.392 324 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 324 V C 2.869 178.986 176.094 0.039 0.000 1.059 324 V CA 2.250 64.570 62.300 0.034 0.000 1.051 324 V CB -1.147 30.689 31.823 0.021 0.000 0.658 324 V HN 0.881 nan 8.190 nan 0.000 0.455 325 E N -0.724 119.510 120.200 0.057 0.000 2.318 325 E HA -0.048 4.301 4.350 -0.000 0.000 0.193 325 E C 2.060 178.683 176.600 0.038 0.000 0.998 325 E CA 1.054 57.483 56.400 0.048 0.000 0.859 325 E CB -0.075 29.661 29.700 0.060 0.000 0.812 325 E HN 0.477 nan 8.360 nan 0.000 0.492 326 S N 0.745 116.476 115.700 0.053 0.000 2.387 326 S HA -0.024 4.446 4.470 -0.000 0.000 0.221 326 S C 2.089 176.583 174.600 -0.176 0.000 1.041 326 S CA 0.649 58.825 58.200 -0.040 0.000 0.959 326 S CB -0.021 63.215 63.200 0.061 0.000 0.843 326 S HN 0.106 nan 8.310 nan 0.000 0.488 327 V N 3.269 123.125 119.914 -0.097 0.000 2.278 327 V HA -0.169 3.951 4.120 -0.000 0.000 0.251 327 V C -0.814 175.225 176.094 -0.092 0.000 1.062 327 V CA 2.007 64.246 62.300 -0.102 0.000 1.038 327 V CB -1.789 30.042 31.823 0.012 0.000 0.646 327 V HN 0.338 nan 8.190 nan 0.000 0.447 328 P HA -0.142 nan 4.420 nan 0.000 0.216 328 P C 1.599 178.870 177.300 -0.047 0.000 1.150 328 P CA 1.426 64.506 63.100 -0.033 0.000 0.837 328 P CB -0.060 31.632 31.700 -0.014 0.000 0.786 329 K N -0.743 119.614 120.400 -0.072 0.000 2.097 329 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 329 K C 2.053 178.590 176.600 -0.106 0.000 1.050 329 K CA 0.997 57.240 56.287 -0.073 0.000 0.938 329 K CB -0.622 31.836 32.500 -0.070 0.000 0.718 329 K HN 0.169 nan 8.250 nan 0.000 0.442 330 L N 0.632 121.737 121.223 -0.197 0.000 2.093 330 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 330 L C 2.314 179.134 176.870 -0.083 0.000 1.085 330 L CA 0.777 55.490 54.840 -0.212 0.000 0.755 330 L CB -0.402 41.436 42.059 -0.368 0.000 0.904 330 L HN -0.020 nan 8.230 nan 0.000 0.435 331 V N -0.925 118.960 119.914 -0.049 0.000 2.343 331 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 331 V C 2.562 178.703 176.094 0.079 0.000 1.051 331 V CA 2.031 64.358 62.300 0.045 0.000 1.036 331 V CB -0.298 31.544 31.823 0.031 0.000 0.654 331 V HN 0.382 nan 8.190 nan 0.000 0.451 332 S N -0.684 115.025 115.700 0.016 0.000 2.382 332 S HA -0.196 4.274 4.470 -0.000 0.000 0.228 332 S C 1.896 176.495 174.600 -0.003 0.000 1.027 332 S CA 1.359 59.560 58.200 0.001 0.000 0.991 332 S CB -0.257 62.938 63.200 -0.009 0.000 0.823 332 S HN 0.680 nan 8.310 nan 0.000 0.469 333 E N -0.141 120.061 120.200 0.003 0.000 2.106 333 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 333 E C 1.843 178.455 176.600 0.021 0.000 0.984 333 E CA 1.089 57.491 56.400 0.004 0.000 0.806 333 E CB -0.220 29.479 29.700 -0.003 0.000 0.750 333 E HN 0.677 nan 8.360 nan 0.000 0.458 334 Y N 1.355 121.611 120.300 -0.074 0.000 2.163 334 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 334 Y C 2.106 177.984 175.900 -0.037 0.000 1.136 334 Y CA 1.355 59.421 58.100 -0.057 0.000 1.147 334 Y CB -0.145 38.282 38.460 -0.055 0.000 0.987 334 Y HN -0.078 nan 8.280 nan 0.000 0.509 335 M N -0.259 119.172 119.600 -0.282 0.000 2.159 335 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 335 M C 2.034 178.189 176.300 -0.241 0.000 1.063 335 M CA 1.566 56.655 55.300 -0.353 0.000 1.110 335 M CB -1.458 31.052 32.600 -0.150 0.000 1.374 335 M HN 0.234 nan 8.290 nan 0.000 0.411 336 S N -0.250 115.366 115.700 -0.140 0.000 2.603 336 S HA 0.028 4.498 4.470 -0.000 0.000 0.220 336 S C 0.678 175.224 174.600 -0.091 0.000 0.967 336 S CA 0.145 58.289 58.200 -0.092 0.000 0.920 336 S CB 0.024 63.195 63.200 -0.047 0.000 0.773 336 S HN 0.345 nan 8.310 nan 0.000 0.529 337 K N 0.234 120.558 120.400 -0.126 0.000 3.341 337 K HA -0.194 4.126 4.320 -0.000 0.000 0.305 337 K C 0.940 177.521 176.600 -0.032 0.000 1.270 337 K CA 1.012 57.247 56.287 -0.087 0.000 0.897 337 K CB -1.550 30.900 32.500 -0.084 0.000 1.264 337 K HN 0.384 nan 8.250 nan 0.000 0.468 338 K N 0.873 121.262 120.400 -0.019 0.000 2.155 338 K HA 0.016 4.335 4.320 -0.000 0.000 0.203 338 K C 0.864 177.459 176.600 -0.008 0.000 1.052 338 K CA 1.345 57.633 56.287 0.001 0.000 0.948 338 K CB 0.160 32.671 32.500 0.018 0.000 0.728 338 K HN 0.507 nan 8.250 nan 0.000 0.448 339 I N -2.045 118.516 120.570 -0.015 0.000 3.002 339 I HA 0.413 4.583 4.170 -0.000 0.000 0.310 339 I C -1.372 174.812 176.117 0.112 0.000 1.087 339 I CA -1.348 59.928 61.300 -0.040 0.000 1.017 339 I CB 2.133 39.971 38.000 -0.269 0.000 1.226 339 I HN -0.261 nan 8.210 nan 0.000 0.443 340 K N 2.148 122.653 120.400 0.175 0.000 2.118 340 K HA 0.654 4.974 4.320 -0.000 0.000 0.254 340 K C -0.330 176.495 176.600 0.376 0.000 0.961 340 K CA -0.750 55.702 56.287 0.275 0.000 0.876 340 K CB 2.671 35.288 32.500 0.194 0.000 1.077 340 K HN 0.536 nan 8.250 nan 0.000 0.440 341 V N 0.488 120.575 119.914 0.289 0.000 3.359 341 V HA -0.101 4.019 4.120 -0.000 0.000 0.204 341 V C 0.689 176.923 176.094 0.233 0.000 1.410 341 V CA 0.378 62.758 62.300 0.133 0.000 1.303 341 V CB 0.135 31.612 31.823 -0.576 0.000 1.198 341 V HN 0.673 nan 8.190 nan 0.000 0.531 342 D N 1.261 121.752 120.400 0.152 0.000 2.158 342 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 342 D C 1.822 178.198 176.300 0.128 0.000 0.995 342 D CA 1.514 55.594 54.000 0.133 0.000 0.846 342 D CB -0.076 40.809 40.800 0.143 0.000 0.941 342 D HN 0.458 nan 8.370 nan 0.000 0.456 343 E N -0.908 119.354 120.200 0.104 0.000 2.409 343 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 343 E C 1.275 177.899 176.600 0.040 0.000 1.024 343 E CA 0.331 56.727 56.400 -0.006 0.000 0.861 343 E CB -0.210 29.348 29.700 -0.237 0.000 0.788 343 E HN 0.389 nan 8.360 nan 0.000 0.521 344 F N -0.416 119.643 119.950 0.182 0.000 2.569 344 F HA 0.034 4.561 4.527 -0.000 0.000 0.295 344 F C 0.648 176.496 175.800 0.081 0.000 1.115 344 F CA 0.025 58.107 58.000 0.137 0.000 1.450 344 F CB 0.339 39.381 39.000 0.071 0.000 1.107 344 F HN -0.249 nan 8.300 nan 0.000 0.563 345 V N 1.521 121.563 119.914 0.213 0.000 2.439 345 V HA 0.028 4.148 4.120 -0.000 0.000 0.271 345 V C 1.013 177.152 176.094 0.075 0.000 1.040 345 V CA 0.687 63.065 62.300 0.129 0.000 1.002 345 V CB 0.433 32.306 31.823 0.084 0.000 1.000 345 V HN 0.391 nan 8.190 nan 0.000 0.477 346 T N 0.896 115.502 114.554 0.087 0.000 2.990 346 T HA 0.248 4.597 4.350 -0.000 0.000 0.249 346 T C 0.349 174.861 174.700 -0.312 0.000 1.039 346 T CA 0.208 62.285 62.100 -0.039 0.000 1.036 346 T CB 0.133 69.062 68.868 0.102 0.000 0.994 346 T HN 0.681 nan 8.240 nan 0.000 0.489 347 H N 0.122 119.210 119.070 0.029 0.000 3.012 347 H HA 0.634 5.190 4.556 -0.000 0.000 0.367 347 H C -1.108 174.226 175.328 0.011 0.000 1.211 347 H CA -0.894 55.165 56.048 0.017 0.000 1.139 347 H CB 1.271 31.039 29.762 0.011 0.000 1.838 347 H HN -0.026 nan 8.280 nan 0.000 0.550 348 N N 1.584 120.361 118.700 0.128 0.000 2.295 348 N HA 0.511 5.251 4.740 -0.000 0.000 0.293 348 N C -1.314 174.234 175.510 0.062 0.000 1.040 348 N CA -0.426 52.666 53.050 0.070 0.000 0.840 348 N CB 2.534 41.045 38.487 0.041 0.000 1.468 348 N HN 0.338 nan 8.380 nan 0.000 0.478 349 L N 0.341 121.589 121.223 0.042 0.000 2.359 349 L HA 0.512 4.852 4.340 -0.000 0.000 0.256 349 L C 0.473 177.366 176.870 0.038 0.000 1.026 349 L CA -0.889 53.972 54.840 0.035 0.000 0.828 349 L CB 1.999 44.071 42.059 0.021 0.000 1.406 349 L HN 0.516 nan 8.230 nan 0.000 0.413 350 S N -0.718 115.009 115.700 0.045 0.000 2.672 350 S HA 0.290 4.759 4.470 -0.000 0.000 0.276 350 S C 0.743 175.419 174.600 0.125 0.000 1.207 350 S CA -0.474 57.768 58.200 0.070 0.000 1.002 350 S CB 1.036 64.269 63.200 0.055 0.000 0.998 350 S HN 0.515 nan 8.310 nan 0.000 0.542 351 F N 1.519 121.440 119.950 -0.049 0.000 2.126 351 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 351 F C 1.614 177.374 175.800 -0.067 0.000 1.096 351 F CA 1.587 59.545 58.000 -0.069 0.000 1.255 351 F CB -0.886 38.081 39.000 -0.055 0.000 0.997 351 F HN 0.630 nan 8.300 nan 0.000 0.479 352 D N 0.033 120.396 120.400 -0.061 0.000 2.264 352 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 352 D C 1.503 177.729 176.300 -0.123 0.000 0.966 352 D CA 1.006 54.903 54.000 -0.171 0.000 0.864 352 D CB -0.281 40.466 40.800 -0.088 0.000 0.933 352 D HN 0.524 nan 8.370 nan 0.000 0.499 353 E N 0.179 120.346 120.200 -0.056 0.000 2.444 353 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 353 E C 1.818 178.396 176.600 -0.036 0.000 1.041 353 E CA -0.348 56.030 56.400 -0.037 0.000 0.883 353 E CB 0.419 30.114 29.700 -0.008 0.000 1.024 353 E HN 0.244 nan 8.360 nan 0.000 0.470 354 I N 1.618 122.148 120.570 -0.067 0.000 2.185 354 I HA -0.396 3.774 4.170 -0.000 0.000 0.246 354 I C 1.698 177.834 176.117 0.033 0.000 1.088 354 I CA 1.297 62.559 61.300 -0.064 0.000 1.347 354 I CB 0.057 37.964 38.000 -0.154 0.000 1.041 354 I HN 0.184 nan 8.210 nan 0.000 0.415 355 N N 1.095 119.819 118.700 0.039 0.000 2.272 355 N HA -0.210 4.530 4.740 -0.000 0.000 0.185 355 N C 1.613 177.213 175.510 0.150 0.000 1.014 355 N CA 1.256 54.385 53.050 0.131 0.000 0.870 355 N CB -0.199 38.288 38.487 -0.000 0.000 0.975 355 N HN 0.525 nan 8.380 nan 0.000 0.433 356 K N 0.797 121.227 120.400 0.051 0.000 2.209 356 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 356 K C 2.020 178.613 176.600 -0.012 0.000 1.048 356 K CA 0.848 57.146 56.287 0.018 0.000 0.940 356 K CB -0.013 32.482 32.500 -0.008 0.000 0.729 356 K HN 0.115 nan 8.250 nan 0.000 0.451 357 A N 0.767 123.562 122.820 -0.041 0.000 1.933 357 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 357 A C 1.809 179.254 177.584 -0.232 0.000 1.175 357 A CA 1.233 53.165 52.037 -0.176 0.000 0.628 357 A CB -0.576 18.260 19.000 -0.273 0.000 0.814 357 A HN 0.198 nan 8.150 nan 0.000 0.444 358 F N 0.035 119.948 119.950 -0.062 0.000 2.206 358 F HA -0.036 4.491 4.527 0.000 0.000 0.298 358 F C 2.391 178.176 175.800 -0.025 0.000 1.090 358 F CA 1.475 59.448 58.000 -0.045 0.000 1.323 358 F CB -0.248 38.732 39.000 -0.032 0.000 1.028 358 F HN 0.275 nan 8.300 nan 0.000 0.492 359 E N 0.400 120.684 120.200 0.140 0.000 2.106 359 E HA -0.171 4.178 4.350 -0.000 0.000 0.192 359 E C 2.220 178.854 176.600 0.056 0.000 0.984 359 E CA 1.039 57.492 56.400 0.089 0.000 0.806 359 E CB -0.275 29.452 29.700 0.045 0.000 0.750 359 E HN 0.419 nan 8.360 nan 0.000 0.458 360 L N 0.193 121.395 121.223 -0.035 0.000 2.056 360 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 360 L C 2.569 179.415 176.870 -0.040 0.000 1.078 360 L CA 0.923 55.696 54.840 -0.111 0.000 0.749 360 L CB -0.341 41.532 42.059 -0.309 0.000 0.901 360 L HN 0.206 nan 8.230 nan 0.000 0.433 361 M N -1.059 118.517 119.600 -0.040 0.000 2.117 361 M HA -0.242 4.238 4.480 -0.000 0.000 0.262 361 M C 2.372 178.748 176.300 0.127 0.000 1.065 361 M CA 1.712 57.000 55.300 -0.021 0.000 1.114 361 M CB -0.577 31.855 32.600 -0.280 0.000 1.361 361 M HN 0.271 nan 8.290 nan 0.000 0.408 362 H N 0.303 119.411 119.070 0.062 0.000 2.353 362 H HA -0.098 4.457 4.556 -0.000 0.000 0.300 362 H C 2.133 177.515 175.328 0.090 0.000 1.090 362 H CA 2.086 58.199 56.048 0.108 0.000 1.327 362 H CB 0.037 29.851 29.762 0.087 0.000 1.383 362 H HN 0.377 nan 8.280 nan 0.000 0.508 363 S N -0.681 115.074 115.700 0.090 0.000 2.603 363 S HA 0.038 4.508 4.470 -0.000 0.000 0.229 363 S C 1.799 176.403 174.600 0.007 0.000 0.972 363 S CA 0.536 58.755 58.200 0.031 0.000 0.935 363 S CB -0.690 62.544 63.200 0.056 0.000 0.769 363 S HN 0.788 nan 8.310 nan 0.000 0.536 364 G N 1.137 109.954 108.800 0.028 0.000 2.225 364 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 364 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 364 G C 0.473 175.404 174.900 0.052 0.000 1.024 364 G CA 0.603 45.730 45.100 0.046 0.000 0.784 364 G HN 0.571 nan 8.290 nan 0.000 0.507 365 K N 0.446 120.881 120.400 0.057 0.000 2.399 365 K HA 0.408 4.728 4.320 -0.000 0.000 0.204 365 K C 0.982 177.673 176.600 0.152 0.000 1.023 365 K CA 0.550 56.888 56.287 0.085 0.000 1.127 365 K CB 0.180 32.728 32.500 0.080 0.000 0.856 365 K HN 0.706 nan 8.250 nan 0.000 0.514 366 S N -1.550 114.226 115.700 0.126 0.000 2.632 366 S HA 0.497 4.967 4.470 -0.000 0.000 0.289 366 S C 0.377 175.075 174.600 0.163 0.000 1.115 366 S CA -0.940 57.370 58.200 0.182 0.000 0.889 366 S CB 1.158 64.400 63.200 0.069 0.000 1.116 366 S HN -0.123 nan 8.310 nan 0.000 0.486 367 I N -0.105 120.574 120.570 0.182 0.000 3.132 367 I HA 0.427 4.597 4.170 -0.000 0.000 0.255 367 I C 0.322 176.543 176.117 0.172 0.000 1.118 367 I CA 0.630 62.035 61.300 0.175 0.000 1.463 367 I CB -0.281 37.829 38.000 0.182 0.000 1.356 367 I HN 0.577 nan 8.210 nan 0.000 0.463 368 R N 0.546 121.151 120.500 0.174 0.000 2.515 368 R HA 0.394 4.734 4.340 -0.000 0.000 0.278 368 R C -1.175 175.197 176.300 0.120 0.000 1.107 368 R CA -0.285 55.890 56.100 0.126 0.000 0.945 368 R CB 1.839 32.216 30.300 0.128 0.000 1.219 368 R HN -0.020 nan 8.270 nan 0.000 0.434 369 T N 2.186 116.775 114.554 0.059 0.000 2.749 369 T HA 0.361 4.711 4.350 -0.000 0.000 0.287 369 T C 0.029 174.739 174.700 0.017 0.000 0.970 369 T CA -0.414 61.718 62.100 0.055 0.000 0.980 369 T CB 1.536 70.390 68.868 -0.023 0.000 0.924 369 T HN 0.104 nan 8.240 nan 0.000 0.456 370 V N 4.784 124.718 119.914 0.034 0.000 2.383 370 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 370 V C 0.126 176.221 176.094 0.001 0.000 1.036 370 V CA -0.681 61.625 62.300 0.010 0.000 0.889 370 V CB 1.397 33.229 31.823 0.014 0.000 0.985 370 V HN 0.676 nan 8.190 nan 0.000 0.459 371 V N 5.824 125.726 119.914 -0.019 0.000 2.364 371 V HA 0.296 4.416 4.120 -0.000 0.000 0.272 371 V C 0.353 176.426 176.094 -0.035 0.000 1.036 371 V CA -0.693 61.596 62.300 -0.017 0.000 0.880 371 V CB 1.310 33.114 31.823 -0.033 0.000 0.991 371 V HN 0.850 nan 8.190 nan 0.000 0.460 372 K N 6.012 126.402 120.400 -0.016 0.000 2.276 372 K HA 0.350 4.670 4.320 -0.000 0.000 0.285 372 K C -0.070 176.490 176.600 -0.067 0.000 1.062 372 K CA -0.644 55.619 56.287 -0.040 0.000 0.918 372 K CB 0.526 33.019 32.500 -0.012 0.000 1.055 372 K HN 0.453 nan 8.250 nan 0.000 0.477 373 I N 0.000 120.467 120.570 -0.171 0.000 2.984 373 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 373 I CA 0.000 61.129 61.300 -0.285 0.000 1.566 373 I CB 0.000 37.749 38.000 -0.418 0.000 1.214 373 I HN 0.000 nan 8.210 nan 0.000 0.494