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 1q4g_1_B DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDCTR TGYSGPNCTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.328 177.300 0.046 0.000 1.155 32 P CA 0.000 63.125 63.100 0.042 0.000 0.800 32 P CB 0.000 31.725 31.700 0.041 0.000 0.726 33 V N 0.111 120.063 119.914 0.064 0.000 2.529 33 V HA 0.308 4.428 4.120 -0.000 0.000 0.292 33 V C 0.661 176.800 176.094 0.076 0.000 1.028 33 V CA -0.468 61.869 62.300 0.062 0.000 1.074 33 V CB 0.784 32.667 31.823 0.101 0.000 0.958 33 V HN 0.646 nan 8.190 nan 0.000 0.481 34 N N 7.902 126.614 118.700 0.020 0.000 2.386 34 N HA 0.071 4.811 4.740 -0.000 0.000 0.273 34 N C -0.780 174.750 175.510 0.033 0.000 1.331 34 N CA -1.443 51.615 53.050 0.013 0.000 0.891 34 N CB 0.996 39.462 38.487 -0.035 0.000 1.139 34 N HN 0.593 nan 8.380 nan 0.000 0.487 35 P HA -0.108 nan 4.420 nan 0.000 0.218 35 P C 0.841 178.097 177.300 -0.073 0.000 1.148 35 P CA 0.930 64.090 63.100 0.100 0.000 0.822 35 P CB 0.047 31.817 31.700 0.116 0.000 0.784 36 c N -0.906 117.618 118.600 -0.126 0.000 2.491 36 c HA -0.001 4.569 4.570 -0.000 0.000 0.277 36 c C 2.859 176.775 174.090 -0.290 0.000 1.455 36 c CA 0.167 56.387 56.329 -0.182 0.000 1.758 36 c CB -2.380 40.075 42.510 -0.091 0.000 1.745 36 c HN 0.352 nan 8.230 nan 0.000 0.558 37 c N -0.734 117.660 118.600 -0.342 0.000 2.456 37 c HA -0.057 4.513 4.570 -0.000 0.000 0.279 37 c C 1.999 175.526 174.090 -0.937 0.000 1.427 37 c CA 0.598 56.553 56.329 -0.622 0.000 1.778 37 c CB -1.565 40.635 42.510 -0.516 0.000 1.842 37 c HN 0.702 nan 8.230 nan 0.000 0.531 38 Y N -1.666 118.323 120.300 -0.518 0.000 2.490 38 Y HA 0.134 4.684 4.550 -0.000 0.000 0.281 38 Y C 0.568 176.285 175.900 -0.305 0.000 1.174 38 Y CA -0.021 57.848 58.100 -0.385 0.000 1.295 38 Y CB -0.603 37.721 38.460 -0.226 0.000 1.062 38 Y HN 0.245 nan 8.280 nan 0.000 0.522 39 Y N -1.154 119.123 120.300 -0.039 0.000 3.037 39 Y HA -0.231 4.319 4.550 -0.000 0.000 0.204 39 Y C -1.428 174.419 175.900 -0.088 0.000 1.275 39 Y CA -0.511 57.538 58.100 -0.084 0.000 1.066 39 Y CB -2.029 36.379 38.460 -0.087 0.000 1.305 39 Y HN 0.227 nan 8.280 nan 0.000 0.499 40 P HA -0.104 nan 4.420 nan 0.000 0.217 40 P C 0.422 177.710 177.300 -0.019 0.000 1.150 40 P CA 1.215 64.267 63.100 -0.080 0.000 0.832 40 P CB 0.155 31.660 31.700 -0.326 0.000 0.787 41 c N 2.797 121.390 118.600 -0.012 0.000 2.566 41 c HA 0.298 4.868 4.570 -0.000 0.000 0.393 41 c C 0.864 174.921 174.090 -0.056 0.000 1.309 41 c CA -0.577 55.762 56.329 0.017 0.000 1.801 41 c CB -0.759 41.784 42.510 0.056 0.000 2.493 41 c HN 0.286 nan 8.230 nan 0.000 0.575 42 Q N 0.453 120.187 119.800 -0.110 0.000 2.169 42 Q HA 0.274 4.613 4.340 -0.000 0.000 0.234 42 Q C 0.359 176.178 176.000 -0.301 0.000 0.980 42 Q CA -0.573 55.040 55.803 -0.316 0.000 0.941 42 Q CB 0.215 28.648 28.738 -0.509 0.000 1.199 42 Q HN 0.913 nan 8.270 nan 0.000 0.496 43 H N 0.521 119.441 119.070 -0.249 0.000 2.655 43 H HA -0.229 4.327 4.556 -0.000 0.000 0.313 43 H C -0.248 175.003 175.328 -0.128 0.000 1.141 43 H CA 0.851 56.744 56.048 -0.257 0.000 1.138 43 H CB -1.597 27.819 29.762 -0.577 0.000 1.446 43 H HN 0.618 nan 8.280 nan 0.000 0.415 44 Q N -3.457 116.306 119.800 -0.062 0.000 2.424 44 Q HA -0.162 4.178 4.340 -0.000 0.000 0.234 44 Q C 1.069 177.079 176.000 0.017 0.000 0.748 44 Q CA 0.775 56.558 55.803 -0.033 0.000 1.286 44 Q CB -1.432 27.289 28.738 -0.028 0.000 1.494 44 Q HN 0.789 nan 8.270 nan 0.000 0.683 45 G N 0.674 109.489 108.800 0.025 0.000 2.544 45 G HA2 0.453 4.413 3.960 -0.000 0.000 0.242 45 G HA3 0.453 4.413 3.960 -0.000 0.000 0.242 45 G C -0.057 174.885 174.900 0.071 0.000 1.247 45 G CA -0.392 44.746 45.100 0.063 0.000 0.840 45 G HN 0.204 nan 8.290 nan 0.000 0.578 46 I N 0.730 121.361 120.570 0.101 0.000 2.312 46 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 46 I C 0.287 176.485 176.117 0.136 0.000 1.008 46 I CA -0.575 60.797 61.300 0.119 0.000 1.226 46 I CB 1.577 39.662 38.000 0.141 0.000 1.371 46 I HN 0.359 nan 8.210 nan 0.000 0.468 47 c N 7.940 126.609 118.600 0.114 0.000 2.482 47 c HA 0.518 5.088 4.570 -0.000 0.000 0.378 47 c C 0.203 174.375 174.090 0.138 0.000 1.284 47 c CA -0.107 56.304 56.329 0.137 0.000 1.826 47 c CB -0.660 41.878 42.510 0.047 0.000 2.473 47 c HN 0.576 nan 8.230 nan 0.000 0.562 48 V N 7.508 127.553 119.914 0.218 0.000 2.531 48 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 48 V C 0.069 176.275 176.094 0.187 0.000 1.034 48 V CA -0.693 61.692 62.300 0.140 0.000 0.865 48 V CB 1.667 33.567 31.823 0.129 0.000 0.995 48 V HN 0.827 nan 8.190 nan 0.000 0.424 49 R N 3.023 123.543 120.500 0.033 0.000 2.401 49 R HA 0.435 4.775 4.340 -0.000 0.000 0.299 49 R C -1.392 174.850 176.300 -0.096 0.000 1.064 49 R CA 0.349 56.482 56.100 0.055 0.000 1.000 49 R CB 0.231 30.528 30.300 -0.004 0.000 0.973 49 R HN 0.535 nan 8.270 nan 0.000 0.438 50 F N 3.351 123.331 119.950 0.049 0.000 2.529 50 F HA 0.506 5.033 4.527 -0.000 0.000 0.320 50 F C 1.029 176.836 175.800 0.011 0.000 1.118 50 F CA 0.467 58.477 58.000 0.016 0.000 0.915 50 F CB 2.202 41.201 39.000 -0.002 0.000 1.161 50 F HN 0.828 nan 8.300 nan 0.000 0.445 51 G N 2.770 111.667 108.800 0.160 0.000 2.641 51 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 51 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 51 G C 0.626 175.564 174.900 0.063 0.000 1.315 51 G CA 0.009 45.168 45.100 0.099 0.000 0.907 51 G HN 0.704 nan 8.290 nan 0.000 0.572 52 L N 0.538 121.792 121.223 0.052 0.000 2.179 52 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 52 L C 2.014 178.917 176.870 0.054 0.000 1.096 52 L CA 2.050 56.915 54.840 0.041 0.000 0.779 52 L CB -0.240 41.838 42.059 0.032 0.000 0.922 52 L HN 0.787 nan 8.230 nan 0.000 0.443 53 D N -2.665 117.776 120.400 0.069 0.000 2.563 53 D HA 0.082 4.722 4.640 -0.000 0.000 0.256 53 D C 0.588 176.960 176.300 0.120 0.000 1.400 53 D CA -0.300 53.751 54.000 0.085 0.000 0.800 53 D CB 0.298 41.137 40.800 0.066 0.000 1.145 53 D HN 0.035 nan 8.370 nan 0.000 0.501 54 R N -0.166 120.410 120.500 0.127 0.000 2.700 54 R HA 0.690 5.030 4.340 -0.000 0.000 0.253 54 R C -0.878 175.573 176.300 0.253 0.000 1.091 54 R CA -0.794 55.385 56.100 0.130 0.000 1.104 54 R CB 0.973 31.304 30.300 0.052 0.000 1.202 54 R HN 0.173 nan 8.270 nan 0.000 0.532 55 Y N -2.417 117.959 120.300 0.127 0.000 2.624 55 Y HA 0.441 4.991 4.550 -0.000 0.000 0.334 55 Y C -1.838 174.145 175.900 0.139 0.000 1.155 55 Y CA -1.129 57.077 58.100 0.177 0.000 1.046 55 Y CB 1.508 40.034 38.460 0.110 0.000 1.316 55 Y HN 0.421 nan 8.280 nan 0.000 0.457 56 Q N 1.566 121.524 119.800 0.263 0.000 2.345 56 Q HA 0.652 4.992 4.340 -0.000 0.000 0.275 56 Q C -1.717 174.438 176.000 0.258 0.000 1.063 56 Q CA -0.951 54.891 55.803 0.065 0.000 0.819 56 Q CB 3.035 31.710 28.738 -0.105 0.000 1.356 56 Q HN 0.862 nan 8.270 nan 0.000 0.418 57 c N 1.320 120.029 118.600 0.182 0.000 2.295 57 c HA 0.319 4.889 4.570 -0.000 0.000 0.331 57 c C -0.069 174.097 174.090 0.127 0.000 1.280 57 c CA -0.582 55.860 56.329 0.187 0.000 1.746 57 c CB 0.517 43.136 42.510 0.182 0.000 2.328 57 c HN 0.670 nan 8.230 nan 0.000 0.521 58 D N 1.824 122.303 120.400 0.132 0.000 2.380 58 D HA 0.202 4.842 4.640 -0.000 0.000 0.230 58 D C 0.371 176.730 176.300 0.098 0.000 1.154 58 D CA -0.251 53.814 54.000 0.108 0.000 0.859 58 D CB 0.677 41.547 40.800 0.116 0.000 1.045 58 D HN 0.662 nan 8.370 nan 0.000 0.495 59 C N 2.751 122.106 119.300 0.091 0.000 2.673 59 C HA 0.127 4.587 4.460 -0.000 0.000 0.274 59 C C 0.888 175.936 174.990 0.095 0.000 1.276 59 C CA -0.388 58.693 59.018 0.104 0.000 1.701 59 C CB -1.586 26.226 27.740 0.120 0.000 1.836 59 C HN 0.530 nan 8.230 nan 0.000 0.596 60 T N 2.176 116.776 114.554 0.076 0.000 2.765 60 T HA -0.016 4.334 4.350 -0.000 0.000 0.275 60 T C 0.947 175.684 174.700 0.062 0.000 1.007 60 T CA 0.679 62.816 62.100 0.061 0.000 1.175 60 T CB -0.096 68.803 68.868 0.052 0.000 0.993 60 T HN 0.636 nan 8.240 nan 0.000 0.510 61 R N 0.142 120.676 120.500 0.057 0.000 3.847 61 R HA -0.227 4.113 4.340 -0.000 0.000 0.304 61 R C 1.597 177.941 176.300 0.074 0.000 1.203 61 R CA 1.202 57.333 56.100 0.053 0.000 0.835 61 R CB -2.519 27.801 30.300 0.034 0.000 1.253 61 R HN 0.921 nan 8.270 nan 0.000 0.516 62 T N -4.334 110.288 114.554 0.113 0.000 3.067 62 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 62 T C 1.497 176.345 174.700 0.246 0.000 1.105 62 T CA 0.839 63.045 62.100 0.176 0.000 1.104 62 T CB 0.812 69.809 68.868 0.214 0.000 0.925 62 T HN 0.680 nan 8.240 nan 0.000 0.498 63 G N 0.166 109.049 108.800 0.139 0.000 2.175 63 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 63 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 63 G C -0.194 174.583 174.900 -0.206 0.000 0.982 63 G CA 0.185 45.275 45.100 -0.017 0.000 0.641 63 G HN 0.624 nan 8.290 nan 0.000 0.527 64 Y N 0.105 120.410 120.300 0.009 0.000 2.665 64 Y HA 0.758 5.308 4.550 -0.000 0.000 0.336 64 Y C 0.602 176.521 175.900 0.032 0.000 1.085 64 Y CA -0.339 57.766 58.100 0.009 0.000 1.096 64 Y CB 1.963 40.425 38.460 0.003 0.000 1.301 64 Y HN 0.605 nan 8.280 nan 0.000 0.493 65 S N -0.606 115.225 115.700 0.218 0.000 2.840 65 S HA 0.938 5.408 4.470 -0.000 0.000 0.307 65 S C -0.223 174.452 174.600 0.124 0.000 1.180 65 S CA -0.425 57.852 58.200 0.129 0.000 0.846 65 S CB 1.457 64.698 63.200 0.069 0.000 1.233 65 S HN 1.927 nan 8.310 nan 0.000 0.548 66 G N 0.463 109.308 108.800 0.076 0.000 2.663 66 G HA2 0.045 4.005 3.960 -0.000 0.000 0.686 66 G HA3 0.045 4.005 3.960 -0.000 0.000 0.686 66 G C -2.478 172.456 174.900 0.056 0.000 1.288 66 G CA -0.267 44.870 45.100 0.062 0.000 0.836 66 G HN 0.633 nan 8.290 nan 0.000 0.584 67 P HA -0.051 nan 4.420 nan 0.000 0.216 67 P C 1.170 178.527 177.300 0.096 0.000 1.150 67 P CA 1.663 64.779 63.100 0.027 0.000 0.843 67 P CB 0.063 31.764 31.700 0.002 0.000 0.787 68 N N -2.917 115.849 118.700 0.109 0.000 2.234 68 N HA 0.075 4.815 4.740 -0.000 0.000 0.227 68 N C -0.360 175.205 175.510 0.092 0.000 1.151 68 N CA -0.210 52.915 53.050 0.125 0.000 0.865 68 N CB -0.493 38.058 38.487 0.107 0.000 1.066 68 N HN -0.037 nan 8.380 nan 0.000 0.515 69 C N 1.137 120.504 119.300 0.111 0.000 4.424 69 C HA -0.147 4.313 4.460 -0.000 0.000 0.304 69 C C 1.717 176.794 174.990 0.146 0.000 1.344 69 C CA 1.252 60.353 59.018 0.138 0.000 2.033 69 C CB -2.504 25.298 27.740 0.103 0.000 1.264 69 C HN 0.658 nan 8.230 nan 0.000 0.750 70 T N -3.425 111.236 114.554 0.177 0.000 2.985 70 T HA 0.353 4.703 4.350 -0.000 0.000 0.254 70 T C 0.376 175.281 174.700 0.341 0.000 1.021 70 T CA 0.097 62.327 62.100 0.217 0.000 0.957 70 T CB 0.048 69.005 68.868 0.148 0.000 1.047 70 T HN 0.614 nan 8.240 nan 0.000 0.511 71 I N 4.984 125.728 120.570 0.290 0.000 2.308 71 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 71 I C -2.252 173.973 176.117 0.180 0.000 1.078 71 I CA -2.502 58.919 61.300 0.201 0.000 1.292 71 I CB 0.859 38.918 38.000 0.098 0.000 1.423 71 I HN 0.055 nan 8.210 nan 0.000 0.493 72 P HA 0.181 nan 4.420 nan 0.000 0.277 72 P C -0.590 176.590 177.300 -0.200 0.000 1.240 72 P CA -0.315 62.593 63.100 -0.319 0.000 0.798 72 P CB 1.067 32.648 31.700 -0.199 0.000 0.979 73 E N 1.065 121.115 120.200 -0.250 0.000 2.312 73 E HA 0.138 4.488 4.350 -0.000 0.000 0.259 73 E C 1.570 178.114 176.600 -0.093 0.000 1.122 73 E CA -0.908 55.417 56.400 -0.126 0.000 0.922 73 E CB 0.432 30.089 29.700 -0.072 0.000 1.109 73 E HN 0.275 nan 8.360 nan 0.000 0.442 74 I N -0.201 120.294 120.570 -0.124 0.000 2.091 74 I HA -0.295 3.875 4.170 -0.000 0.000 0.239 74 I C 2.031 178.078 176.117 -0.117 0.000 1.061 74 I CA 1.746 62.924 61.300 -0.202 0.000 1.317 74 I CB -1.075 36.671 38.000 -0.422 0.000 1.031 74 I HN 0.729 nan 8.210 nan 0.000 0.401 75 W N 1.232 122.543 121.300 0.018 0.000 2.374 75 W HA -0.166 4.494 4.660 -0.000 0.000 0.288 75 W C 2.765 179.281 176.519 -0.004 0.000 1.218 75 W CA 1.341 58.697 57.345 0.018 0.000 1.245 75 W CB -1.061 28.396 29.460 -0.004 0.000 1.126 75 W HN 0.076 nan 8.180 nan 0.000 0.545 76 T N -0.735 113.898 114.554 0.133 0.000 2.708 76 T HA -0.288 4.062 4.350 -0.000 0.000 0.266 76 T C 1.185 175.887 174.700 0.004 0.000 1.037 76 T CA 1.576 63.656 62.100 -0.035 0.000 1.146 76 T CB -0.824 67.829 68.868 -0.358 0.000 0.865 76 T HN 0.337 nan 8.240 nan 0.000 0.435 77 W N 1.726 122.937 121.300 -0.149 0.000 2.355 77 W HA -0.028 4.632 4.660 -0.000 0.000 0.309 77 W C 1.801 178.292 176.519 -0.047 0.000 1.206 77 W CA 0.895 58.179 57.345 -0.102 0.000 1.284 77 W CB -0.532 28.858 29.460 -0.117 0.000 1.145 77 W HN 0.145 nan 8.180 nan 0.000 0.502 78 L N 0.227 121.538 121.223 0.148 0.000 2.017 78 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 78 L C 2.774 179.594 176.870 -0.084 0.000 1.073 78 L CA 1.912 56.743 54.840 -0.014 0.000 0.745 78 L CB -1.076 41.065 42.059 0.136 0.000 0.894 78 L HN -0.010 nan 8.230 nan 0.000 0.432 79 R N 0.130 120.646 120.500 0.025 0.000 2.091 79 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 79 R C 2.403 178.669 176.300 -0.057 0.000 1.136 79 R CA 2.203 58.315 56.100 0.018 0.000 0.959 79 R CB -0.304 30.036 30.300 0.065 0.000 0.856 79 R HN 0.526 nan 8.270 nan 0.000 0.437 80 T N -2.574 111.915 114.554 -0.108 0.000 2.942 80 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 80 T C 1.930 176.495 174.700 -0.224 0.000 1.062 80 T CA 1.387 63.413 62.100 -0.123 0.000 1.139 80 T CB -0.416 68.406 68.868 -0.076 0.000 0.883 80 T HN 0.448 nan 8.240 nan 0.000 0.468 81 T N -0.470 113.825 114.554 -0.431 0.000 3.043 81 T HA 0.216 4.566 4.350 -0.000 0.000 0.263 81 T C 1.556 176.065 174.700 -0.319 0.000 1.094 81 T CA 0.166 61.972 62.100 -0.490 0.000 1.127 81 T CB -0.345 67.940 68.868 -0.971 0.000 0.905 81 T HN 0.246 nan 8.240 nan 0.000 0.490 82 L N 0.311 121.387 121.223 -0.245 0.000 2.554 82 L HA 0.411 4.751 4.340 -0.000 0.000 0.225 82 L C 1.303 178.121 176.870 -0.086 0.000 1.104 82 L CA 0.083 54.836 54.840 -0.145 0.000 0.866 82 L CB -0.277 41.725 42.059 -0.096 0.000 1.047 82 L HN 0.214 nan 8.230 nan 0.000 0.468 83 R N 2.870 123.325 120.500 -0.075 0.000 2.370 83 R HA 0.179 4.519 4.340 -0.000 0.000 0.309 83 R C -2.135 174.153 176.300 -0.020 0.000 1.059 83 R CA -1.238 54.849 56.100 -0.023 0.000 0.981 83 R CB 0.401 30.697 30.300 -0.006 0.000 0.972 83 R HN -0.003 nan 8.270 nan 0.000 0.437 84 P HA 0.012 nan 4.420 nan 0.000 0.272 84 P C -0.543 176.811 177.300 0.090 0.000 1.230 84 P CA -0.341 62.775 63.100 0.025 0.000 0.788 84 P CB 0.819 32.615 31.700 0.159 0.000 0.949 85 S N 0.734 116.493 115.700 0.099 0.000 2.600 85 S HA 0.184 4.653 4.470 -0.000 0.000 0.265 85 S C -1.706 173.001 174.600 0.179 0.000 1.325 85 S CA -0.833 57.437 58.200 0.116 0.000 1.002 85 S CB -0.028 63.230 63.200 0.096 0.000 0.921 85 S HN 0.239 nan 8.310 nan 0.000 0.554 86 P HA -0.015 nan 4.420 nan 0.000 0.218 86 P C 1.408 178.839 177.300 0.219 0.000 1.148 86 P CA 1.125 64.334 63.100 0.181 0.000 0.822 86 P CB -0.070 31.732 31.700 0.170 0.000 0.784 87 S N -1.462 114.382 115.700 0.241 0.000 2.383 87 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 87 S C 1.604 176.344 174.600 0.234 0.000 1.026 87 S CA 0.868 59.212 58.200 0.239 0.000 0.981 87 S CB -1.058 62.288 63.200 0.242 0.000 0.818 87 S HN 0.164 nan 8.310 nan 0.000 0.472 88 F N 1.899 121.911 119.950 0.105 0.000 2.206 88 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 88 F C 1.794 177.692 175.800 0.164 0.000 1.090 88 F CA 1.049 59.115 58.000 0.110 0.000 1.323 88 F CB -0.151 38.877 39.000 0.047 0.000 1.028 88 F HN 0.096 nan 8.300 nan 0.000 0.492 89 I N -0.393 120.258 120.570 0.135 0.000 2.252 89 I HA -0.301 3.868 4.170 -0.000 0.000 0.245 89 I C 2.331 178.380 176.117 -0.113 0.000 1.102 89 I CA 1.631 62.928 61.300 -0.004 0.000 1.385 89 I CB -0.700 37.344 38.000 0.074 0.000 1.064 89 I HN 0.191 nan 8.210 nan 0.000 0.414 90 H N 0.663 119.650 119.070 -0.139 0.000 2.387 90 H HA -0.262 4.294 4.556 -0.000 0.000 0.299 90 H C 1.961 177.158 175.328 -0.218 0.000 1.090 90 H CA 1.845 57.750 56.048 -0.238 0.000 1.332 90 H CB -0.177 29.329 29.762 -0.428 0.000 1.386 90 H HN 0.322 nan 8.280 nan 0.000 0.516 91 F N -0.026 119.795 119.950 -0.216 0.000 2.075 91 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 91 F C 1.878 177.569 175.800 -0.181 0.000 1.113 91 F CA 1.023 58.924 58.000 -0.165 0.000 1.218 91 F CB -0.596 38.268 39.000 -0.226 0.000 0.984 91 F HN 0.179 nan 8.300 nan 0.000 0.472 92 L N 0.552 121.571 121.223 -0.341 0.000 2.042 92 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 92 L C 2.270 179.044 176.870 -0.161 0.000 1.076 92 L CA 1.666 56.334 54.840 -0.287 0.000 0.749 92 L CB -1.186 40.748 42.059 -0.208 0.000 0.893 92 L HN 0.246 nan 8.230 nan 0.000 0.432 93 L N -1.153 119.814 121.223 -0.427 0.000 2.465 93 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 93 L C 1.295 177.536 176.870 -1.049 0.000 1.145 93 L CA 1.163 55.508 54.840 -0.825 0.000 0.834 93 L CB -0.616 40.726 42.059 -1.194 0.000 0.944 93 L HN 0.440 nan 8.230 nan 0.000 0.451 94 T N -5.112 108.847 114.554 -0.991 0.000 3.252 94 T HA 0.260 4.610 4.350 -0.000 0.000 0.286 94 T C 0.277 174.054 174.700 -1.538 0.000 1.013 94 T CA -0.429 60.788 62.100 -1.471 0.000 0.914 94 T CB -0.047 68.152 68.868 -1.115 0.000 1.131 94 T HN 0.087 nan 8.240 nan 0.000 0.529 95 H N -0.082 118.590 119.070 -0.664 0.000 2.980 95 H HA 0.513 5.069 4.556 -0.000 0.000 0.367 95 H C 0.680 176.128 175.328 0.201 0.000 1.206 95 H CA -0.349 55.583 56.048 -0.192 0.000 1.126 95 H CB 1.705 31.091 29.762 -0.628 0.000 1.838 95 H HN 0.329 nan 8.280 nan 0.000 0.552 96 G N 1.879 110.887 108.800 0.348 0.000 2.353 96 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.294 96 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.294 96 G C 1.089 175.973 174.900 -0.025 0.000 1.077 96 G CA 0.736 45.888 45.100 0.088 0.000 1.098 96 G HN 0.730 nan 8.290 nan 0.000 0.511 97 R N -0.296 120.268 120.500 0.106 0.000 2.105 97 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 97 R C 2.620 178.878 176.300 -0.069 0.000 1.135 97 R CA 2.313 58.315 56.100 -0.163 0.000 0.967 97 R CB -0.347 29.637 30.300 -0.527 0.000 0.861 97 R HN 0.873 nan 8.270 nan 0.000 0.442 98 W N 0.349 121.650 121.300 0.002 0.000 2.338 98 W HA -0.226 4.434 4.660 -0.000 0.000 0.304 98 W C 1.454 177.984 176.519 0.019 0.000 1.212 98 W CA 0.292 57.639 57.345 0.003 0.000 1.264 98 W CB -1.191 28.261 29.460 -0.013 0.000 1.142 98 W HN 0.139 nan 8.180 nan 0.000 0.512 99 L N 0.179 120.686 121.223 -1.194 0.000 2.093 99 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 99 L C 2.301 178.846 176.870 -0.541 0.000 1.085 99 L CA 1.659 55.830 54.840 -1.115 0.000 0.755 99 L CB -1.206 39.803 42.059 -1.749 0.000 0.904 99 L HN -0.021 nan 8.230 nan 0.000 0.435 100 W N -0.028 121.090 121.300 -0.304 0.000 2.388 100 W HA -0.160 4.500 4.660 -0.000 0.000 0.294 100 W C 2.318 178.786 176.519 -0.084 0.000 1.212 100 W CA 0.880 58.141 57.345 -0.141 0.000 1.271 100 W CB -0.254 29.165 29.460 -0.069 0.000 1.126 100 W HN 0.150 nan 8.180 nan 0.000 0.535 101 D N -0.328 120.146 120.400 0.123 0.000 2.123 101 D HA -0.223 4.417 4.640 -0.000 0.000 0.196 101 D C 1.753 178.094 176.300 0.068 0.000 0.992 101 D CA 1.382 55.429 54.000 0.079 0.000 0.833 101 D CB -0.834 40.006 40.800 0.067 0.000 0.954 101 D HN 0.126 nan 8.370 nan 0.000 0.455 102 F N 1.329 121.252 119.950 -0.045 0.000 2.084 102 F HA -0.191 4.336 4.527 -0.000 0.000 0.296 102 F C 2.209 177.957 175.800 -0.088 0.000 1.111 102 F CA 1.021 58.988 58.000 -0.056 0.000 1.224 102 F CB -0.379 38.582 39.000 -0.066 0.000 0.991 102 F HN -0.224 nan 8.300 nan 0.000 0.471 103 V N 1.289 121.223 119.914 0.033 0.000 2.287 103 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 103 V C 2.127 178.148 176.094 -0.122 0.000 1.053 103 V CA 2.227 64.476 62.300 -0.086 0.000 1.027 103 V CB -0.939 30.827 31.823 -0.094 0.000 0.646 103 V HN 0.398 nan 8.190 nan 0.000 0.447 104 N N 0.449 119.146 118.700 -0.005 0.000 2.430 104 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 104 N C 1.447 176.908 175.510 -0.082 0.000 1.032 104 N CA 1.452 54.501 53.050 -0.003 0.000 0.893 104 N CB -0.248 38.267 38.487 0.047 0.000 0.957 104 N HN 0.551 nan 8.380 nan 0.000 0.442 105 A N -0.095 122.622 122.820 -0.172 0.000 2.345 105 A HA 0.133 4.453 4.320 -0.000 0.000 0.225 105 A C 1.011 178.457 177.584 -0.230 0.000 1.243 105 A CA 0.120 52.046 52.037 -0.185 0.000 0.875 105 A CB -0.077 18.801 19.000 -0.205 0.000 0.929 105 A HN 0.325 nan 8.150 nan 0.000 0.502 106 T N -4.730 109.659 114.554 -0.276 0.000 2.883 106 T HA 0.474 4.824 4.350 -0.000 0.000 0.284 106 T C 0.801 175.387 174.700 -0.188 0.000 1.041 106 T CA -0.064 61.879 62.100 -0.261 0.000 1.007 106 T CB 0.466 69.066 68.868 -0.447 0.000 1.220 106 T HN 0.599 nan 8.240 nan 0.000 0.552 107 F N -0.210 119.707 119.950 -0.056 0.000 2.408 107 F HA 0.196 4.723 4.527 -0.000 0.000 0.300 107 F C 1.717 177.511 175.800 -0.010 0.000 1.090 107 F CA 0.404 58.388 58.000 -0.027 0.000 1.427 107 F CB -1.127 37.863 39.000 -0.016 0.000 1.070 107 F HN 0.403 nan 8.300 nan 0.000 0.549 108 I N 0.707 120.743 120.570 -0.891 0.000 2.454 108 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 108 I C 2.831 178.850 176.117 -0.163 0.000 1.156 108 I CA 1.269 62.236 61.300 -0.554 0.000 1.433 108 I CB -0.554 37.122 38.000 -0.539 0.000 1.082 108 I HN 0.231 nan 8.210 nan 0.000 0.432 109 R N 1.107 121.539 120.500 -0.114 0.000 2.081 109 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 109 R C 1.723 178.031 176.300 0.014 0.000 1.131 109 R CA 1.948 58.042 56.100 -0.010 0.000 0.960 109 R CB -0.129 30.165 30.300 -0.011 0.000 0.856 109 R HN 0.316 nan 8.270 nan 0.000 0.436 110 D N -0.487 119.925 120.400 0.020 0.000 2.123 110 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 110 D C 1.765 178.096 176.300 0.051 0.000 0.976 110 D CA 1.563 55.584 54.000 0.036 0.000 0.831 110 D CB -0.382 40.451 40.800 0.055 0.000 0.974 110 D HN 0.243 nan 8.370 nan 0.000 0.469 111 T N 1.522 116.127 114.554 0.085 0.000 2.684 111 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 111 T C 2.225 176.962 174.700 0.061 0.000 1.036 111 T CA 0.730 62.888 62.100 0.096 0.000 1.148 111 T CB -0.270 68.683 68.868 0.143 0.000 0.863 111 T HN 0.122 nan 8.240 nan 0.000 0.436 112 L N -0.151 121.103 121.223 0.052 0.000 2.072 112 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 112 L C 2.600 179.501 176.870 0.051 0.000 1.079 112 L CA 0.904 55.781 54.840 0.061 0.000 0.752 112 L CB -0.463 41.652 42.059 0.095 0.000 0.906 112 L HN 0.263 nan 8.230 nan 0.000 0.436 113 M N 0.099 119.725 119.600 0.043 0.000 2.159 113 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 113 M C 2.314 178.624 176.300 0.017 0.000 1.063 113 M CA 1.672 56.993 55.300 0.035 0.000 1.110 113 M CB -0.393 32.222 32.600 0.025 0.000 1.374 113 M HN 0.010 nan 8.290 nan 0.000 0.411 114 R N -0.518 119.987 120.500 0.008 0.000 2.075 114 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 114 R C 2.061 178.364 176.300 0.005 0.000 1.126 114 R CA 1.662 57.755 56.100 -0.011 0.000 0.963 114 R CB -0.597 29.700 30.300 -0.006 0.000 0.858 114 R HN 0.435 nan 8.270 nan 0.000 0.435 115 L N 0.608 121.846 121.223 0.026 0.000 2.012 115 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 115 L C 2.109 179.004 176.870 0.040 0.000 1.073 115 L CA 1.613 56.474 54.840 0.034 0.000 0.748 115 L CB -0.476 41.609 42.059 0.044 0.000 0.891 115 L HN 0.053 nan 8.230 nan 0.000 0.431 116 V N -0.659 119.283 119.914 0.048 0.000 2.255 116 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 116 V C 2.555 178.684 176.094 0.059 0.000 1.051 116 V CA 1.802 64.141 62.300 0.065 0.000 1.018 116 V CB -0.721 31.152 31.823 0.083 0.000 0.641 116 V HN 0.372 nan 8.190 nan 0.000 0.445 117 L N 0.706 121.950 121.223 0.034 0.000 1.971 117 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 117 L C 2.895 179.780 176.870 0.024 0.000 1.072 117 L CA 2.938 57.783 54.840 0.009 0.000 0.758 117 L CB -1.532 40.486 42.059 -0.067 0.000 0.889 117 L HN 0.694 nan 8.230 nan 0.000 0.433 118 T N -4.321 110.241 114.554 0.014 0.000 2.737 118 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 118 T C 1.912 176.650 174.700 0.063 0.000 1.038 118 T CA 1.403 63.532 62.100 0.048 0.000 1.144 118 T CB -0.962 67.925 68.868 0.031 0.000 0.866 118 T HN 0.072 nan 8.240 nan 0.000 0.434 119 V N 1.491 121.436 119.914 0.052 0.000 2.343 119 V HA -0.073 4.047 4.120 -0.000 0.000 0.247 119 V C 3.068 179.199 176.094 0.061 0.000 1.051 119 V CA 1.763 64.094 62.300 0.053 0.000 1.036 119 V CB -0.753 31.102 31.823 0.054 0.000 0.654 119 V HN 0.295 nan 8.190 nan 0.000 0.451 120 R N 1.079 121.621 120.500 0.071 0.000 2.057 120 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 120 R C 2.713 179.049 176.300 0.061 0.000 1.136 120 R CA 1.676 57.821 56.100 0.074 0.000 0.952 120 R CB -0.887 29.463 30.300 0.083 0.000 0.848 120 R HN 0.687 nan 8.270 nan 0.000 0.430 121 S N 0.282 116.033 115.700 0.086 0.000 2.423 121 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 121 S C 1.504 176.128 174.600 0.040 0.000 1.014 121 S CA 1.183 59.441 58.200 0.096 0.000 0.965 121 S CB -0.381 62.979 63.200 0.267 0.000 0.785 121 S HN 0.223 nan 8.310 nan 0.000 0.495 122 N N 1.515 120.242 118.700 0.045 0.000 2.513 122 N HA 0.075 4.815 4.740 -0.000 0.000 0.187 122 N C 1.255 176.742 175.510 -0.038 0.000 1.056 122 N CA 0.535 53.589 53.050 0.006 0.000 0.907 122 N CB -0.443 38.057 38.487 0.020 0.000 0.954 122 N HN 0.350 nan 8.380 nan 0.000 0.445 123 L N 0.054 121.250 121.223 -0.046 0.000 2.418 123 L HA 0.101 4.441 4.340 -0.000 0.000 0.218 123 L C 0.180 176.941 176.870 -0.182 0.000 1.125 123 L CA 0.567 55.336 54.840 -0.118 0.000 0.835 123 L CB -0.351 41.663 42.059 -0.074 0.000 0.953 123 L HN 0.038 nan 8.230 nan 0.000 0.454 124 I N 2.537 123.028 120.570 -0.132 0.000 2.315 124 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 124 I C -1.861 174.187 176.117 -0.116 0.000 1.006 124 I CA -2.596 58.626 61.300 -0.130 0.000 1.265 124 I CB 0.873 38.810 38.000 -0.104 0.000 1.387 124 I HN -0.088 nan 8.210 nan 0.000 0.475 125 P HA 0.125 nan 4.420 nan 0.000 0.271 125 P C -0.430 176.798 177.300 -0.120 0.000 1.220 125 P CA -0.091 62.933 63.100 -0.127 0.000 0.768 125 P CB 1.342 32.945 31.700 -0.162 0.000 0.848 126 S N 3.261 118.885 115.700 -0.126 0.000 2.649 126 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 126 S C -2.636 171.900 174.600 -0.106 0.000 1.176 126 S CA -1.167 56.955 58.200 -0.129 0.000 0.988 126 S CB 0.662 63.745 63.200 -0.196 0.000 1.071 126 S HN 0.310 nan 8.310 nan 0.000 0.478 127 P HA 0.272 nan 4.420 nan 0.000 0.269 127 P C -2.688 174.582 177.300 -0.050 0.000 1.217 127 P CA -0.933 62.163 63.100 -0.007 0.000 0.783 127 P CB -0.574 31.189 31.700 0.105 0.000 0.898 128 P HA -0.040 nan 4.420 nan 0.000 0.269 128 P C 0.595 177.809 177.300 -0.143 0.000 1.215 128 P CA 0.147 63.180 63.100 -0.112 0.000 0.780 128 P CB 0.539 32.160 31.700 -0.131 0.000 0.898 129 T N -0.316 114.081 114.554 -0.262 0.000 3.535 129 T HA 0.144 4.494 4.350 -0.000 0.000 0.223 129 T C 0.739 175.245 174.700 -0.323 0.000 0.933 129 T CA 0.312 62.147 62.100 -0.442 0.000 1.445 129 T CB -0.808 67.468 68.868 -0.987 0.000 1.286 129 T HN 0.377 nan 8.240 nan 0.000 0.436 130 Y N 2.965 123.226 120.300 -0.065 0.000 2.458 130 Y HA 0.663 5.213 4.550 -0.000 0.000 0.322 130 Y C 0.474 176.290 175.900 -0.141 0.000 1.259 130 Y CA -1.289 56.743 58.100 -0.114 0.000 1.302 130 Y CB 0.854 39.260 38.460 -0.089 0.000 1.314 130 Y HN 0.599 nan 8.280 nan 0.000 0.509 131 N N -0.818 117.860 118.700 -0.037 0.000 2.972 131 N HA 0.168 4.908 4.740 -0.000 0.000 0.262 131 N C -0.288 175.129 175.510 -0.155 0.000 1.478 131 N CA -0.755 52.202 53.050 -0.155 0.000 0.841 131 N CB 0.411 38.629 38.487 -0.449 0.000 1.512 131 N HN 0.587 nan 8.380 nan 0.000 0.548 132 I N -0.440 120.066 120.570 -0.107 0.000 2.399 132 I HA -0.056 4.114 4.170 -0.000 0.000 0.254 132 I C 1.666 177.734 176.117 -0.081 0.000 1.146 132 I CA 1.850 63.113 61.300 -0.061 0.000 1.412 132 I CB -0.737 37.234 38.000 -0.048 0.000 1.076 132 I HN 0.738 nan 8.210 nan 0.000 0.432 133 A N -1.681 121.013 122.820 -0.209 0.000 1.997 133 A HA 0.103 4.423 4.320 -0.000 0.000 0.212 133 A C 0.462 177.838 177.584 -0.347 0.000 1.178 133 A CA 0.450 52.322 52.037 -0.274 0.000 0.698 133 A CB -0.247 18.527 19.000 -0.376 0.000 0.842 133 A HN 0.457 nan 8.150 nan 0.000 0.458 134 H N 0.333 119.199 119.070 -0.340 0.000 2.589 134 H HA 0.328 4.884 4.556 -0.000 0.000 0.335 134 H C -1.306 173.659 175.328 -0.606 0.000 1.019 134 H CA -1.150 54.500 56.048 -0.663 0.000 1.213 134 H CB 1.173 30.413 29.762 -0.870 0.000 1.472 134 H HN 0.171 nan 8.280 nan 0.000 0.508 135 D N 3.887 124.004 120.400 -0.471 0.000 2.889 135 D HA 0.086 4.726 4.640 -0.000 0.000 0.243 135 D C -0.286 175.721 176.300 -0.488 0.000 1.270 135 D CA 0.239 53.953 54.000 -0.477 0.000 0.838 135 D CB -0.008 40.636 40.800 -0.260 0.000 1.040 135 D HN 0.487 nan 8.370 nan 0.000 0.480 136 Y N -2.878 117.365 120.300 -0.094 0.000 2.677 136 Y HA 0.406 4.956 4.550 -0.000 0.000 0.334 136 Y C -0.640 175.435 175.900 0.291 0.000 1.196 136 Y CA -1.402 56.755 58.100 0.095 0.000 1.059 136 Y CB 0.377 38.832 38.460 -0.008 0.000 1.315 136 Y HN -0.294 nan 8.280 nan 0.000 0.455 137 I N 3.121 123.948 120.570 0.427 0.000 2.588 137 I HA 0.424 4.594 4.170 -0.000 0.000 0.283 137 I C 0.162 176.429 176.117 0.250 0.000 1.119 137 I CA 0.497 61.942 61.300 0.241 0.000 1.419 137 I CB 0.999 39.094 38.000 0.159 0.000 1.394 137 I HN 0.793 nan 8.210 nan 0.000 0.562 138 S N 5.421 121.216 115.700 0.158 0.000 2.565 138 S HA 0.168 4.638 4.470 -0.000 0.000 0.269 138 S C 0.100 174.819 174.600 0.198 0.000 1.153 138 S CA -0.958 57.349 58.200 0.179 0.000 0.835 138 S CB 1.131 64.372 63.200 0.068 0.000 1.122 138 S HN 0.846 nan 8.310 nan 0.000 0.462 139 W N 1.441 122.808 121.300 0.112 0.000 2.374 139 W HA -0.090 4.570 4.660 -0.000 0.000 0.288 139 W C 1.543 178.187 176.519 0.208 0.000 1.218 139 W CA 2.300 59.742 57.345 0.162 0.000 1.245 139 W CB -0.115 29.415 29.460 0.116 0.000 1.126 139 W HN 1.049 nan 8.180 nan 0.000 0.545 140 E N 0.361 120.712 120.200 0.251 0.000 2.077 140 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 140 E C 2.287 178.900 176.600 0.021 0.000 0.989 140 E CA 2.155 58.670 56.400 0.192 0.000 0.800 140 E CB -0.741 29.152 29.700 0.322 0.000 0.746 140 E HN 0.003 nan 8.360 nan 0.000 0.452 141 S N -1.263 114.446 115.700 0.014 0.000 2.382 141 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 141 S C 1.758 176.259 174.600 -0.165 0.000 1.027 141 S CA 1.126 59.240 58.200 -0.144 0.000 0.991 141 S CB -0.583 62.567 63.200 -0.083 0.000 0.823 141 S HN 0.471 nan 8.310 nan 0.000 0.469 142 F N 2.470 122.233 119.950 -0.312 0.000 2.163 142 F HA -0.007 4.520 4.527 -0.000 0.000 0.297 142 F C 2.472 178.002 175.800 -0.451 0.000 1.094 142 F CA 1.888 59.627 58.000 -0.435 0.000 1.290 142 F CB -0.616 37.989 39.000 -0.659 0.000 1.017 142 F HN 0.372 nan 8.300 nan 0.000 0.483 143 S N -0.834 114.499 115.700 -0.611 0.000 2.439 143 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 143 S C 0.962 175.426 174.600 -0.227 0.000 1.029 143 S CA 0.042 57.940 58.200 -0.503 0.000 0.946 143 S CB -0.716 62.347 63.200 -0.228 0.000 0.797 143 S HN 0.355 nan 8.310 nan 0.000 0.504 144 N N 2.960 121.615 118.700 -0.075 0.000 2.448 144 N HA 0.115 4.855 4.740 -0.000 0.000 0.250 144 N C 0.874 176.437 175.510 0.088 0.000 1.136 144 N CA 0.120 53.223 53.050 0.089 0.000 0.953 144 N CB 1.421 40.095 38.487 0.312 0.000 1.251 144 N HN 0.337 nan 8.380 nan 0.000 0.502 145 V N 1.175 121.097 119.914 0.013 0.000 3.510 145 V HA 0.052 4.172 4.120 -0.000 0.000 0.270 145 V C 1.509 177.712 176.094 0.183 0.000 1.201 145 V CA 0.556 62.887 62.300 0.051 0.000 1.166 145 V CB -0.407 31.434 31.823 0.030 0.000 0.825 145 V HN 0.384 nan 8.190 nan 0.000 0.484 146 S N -0.856 114.913 115.700 0.115 0.000 2.522 146 S HA 0.195 4.665 4.470 -0.000 0.000 0.227 146 S C 0.392 175.020 174.600 0.047 0.000 0.986 146 S CA 0.297 58.532 58.200 0.058 0.000 0.929 146 S CB -0.368 62.848 63.200 0.025 0.000 0.769 146 S HN 0.714 nan 8.310 nan 0.000 0.529 147 Y N 0.459 120.761 120.300 0.003 0.000 2.299 147 Y HA 0.356 4.906 4.550 -0.000 0.000 0.326 147 Y C 0.153 175.996 175.900 -0.094 0.000 1.164 147 Y CA -0.942 57.038 58.100 -0.200 0.000 1.234 147 Y CB 0.358 38.694 38.460 -0.207 0.000 1.219 147 Y HN 0.047 nan 8.280 nan 0.000 0.497 148 Y N 0.835 121.193 120.300 0.096 0.000 2.301 148 Y HA 0.187 4.737 4.550 -0.000 0.000 0.328 148 Y C 0.934 176.866 175.900 0.053 0.000 1.242 148 Y CA -0.226 57.949 58.100 0.125 0.000 1.323 148 Y CB 0.981 39.474 38.460 0.055 0.000 1.266 148 Y HN 0.547 nan 8.280 nan 0.000 0.527 149 T N 2.119 116.805 114.554 0.220 0.000 2.880 149 T HA 0.722 5.072 4.350 -0.000 0.000 0.279 149 T C -0.824 173.936 174.700 0.100 0.000 0.990 149 T CA -0.737 61.410 62.100 0.079 0.000 0.938 149 T CB 0.537 69.413 68.868 0.012 0.000 1.206 149 T HN 0.766 nan 8.240 nan 0.000 0.573 150 R N 0.757 121.311 120.500 0.090 0.000 2.707 150 R HA 0.490 4.830 4.340 -0.000 0.000 0.272 150 R C 0.026 176.427 176.300 0.168 0.000 1.011 150 R CA -0.845 55.337 56.100 0.137 0.000 0.893 150 R CB 0.531 30.912 30.300 0.135 0.000 1.233 150 R HN 0.372 nan 8.270 nan 0.000 0.464 151 I N 0.971 121.689 120.570 0.247 0.000 2.494 151 I HA 0.160 4.330 4.170 -0.000 0.000 0.250 151 I C 0.772 176.992 176.117 0.172 0.000 1.112 151 I CA 0.538 61.957 61.300 0.199 0.000 1.438 151 I CB -0.622 37.568 38.000 0.315 0.000 1.111 151 I HN 0.514 nan 8.210 nan 0.000 0.431 152 L N 2.596 123.926 121.223 0.179 0.000 2.334 152 L HA 0.386 4.726 4.340 -0.000 0.000 0.276 152 L C -2.212 174.714 176.870 0.093 0.000 1.014 152 L CA -1.746 53.111 54.840 0.029 0.000 0.815 152 L CB 1.993 43.824 42.059 -0.379 0.000 1.268 152 L HN -0.121 nan 8.230 nan 0.000 0.428 153 P HA 0.042 nan 4.420 nan 0.000 0.271 153 P C -0.511 176.756 177.300 -0.054 0.000 1.233 153 P CA -0.368 62.635 63.100 -0.162 0.000 0.789 153 P CB 0.681 32.164 31.700 -0.362 0.000 0.951 154 S N -0.242 115.434 115.700 -0.040 0.000 2.600 154 S HA 0.159 4.629 4.470 -0.000 0.000 0.265 154 S C 0.319 174.947 174.600 0.046 0.000 1.325 154 S CA -0.754 57.456 58.200 0.015 0.000 1.002 154 S CB -0.110 63.098 63.200 0.012 0.000 0.921 154 S HN 0.253 nan 8.310 nan 0.000 0.554 155 V N 3.442 123.405 119.914 0.082 0.000 2.479 155 V HA 0.220 4.340 4.120 -0.000 0.000 0.281 155 V C -2.035 174.089 176.094 0.050 0.000 1.031 155 V CA -1.380 60.989 62.300 0.115 0.000 1.038 155 V CB -0.113 31.788 31.823 0.129 0.000 0.981 155 V HN 0.767 nan 8.190 nan 0.000 0.478 156 P HA 0.039 nan 4.420 nan 0.000 0.261 156 P C 0.728 178.026 177.300 -0.003 0.000 1.173 156 P CA 0.306 63.402 63.100 -0.007 0.000 0.760 156 P CB 0.348 32.022 31.700 -0.043 0.000 0.783 157 R N 2.445 122.951 120.500 0.009 0.000 2.193 157 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 157 R C 0.887 177.189 176.300 0.002 0.000 1.110 157 R CA 1.417 57.524 56.100 0.013 0.000 0.988 157 R CB -0.329 29.985 30.300 0.023 0.000 0.871 157 R HN 0.625 nan 8.270 nan 0.000 0.458 158 D N -0.764 119.631 120.400 -0.009 0.000 2.460 158 D HA 0.017 4.657 4.640 -0.000 0.000 0.229 158 D C -0.151 176.126 176.300 -0.040 0.000 1.170 158 D CA -0.318 53.673 54.000 -0.016 0.000 0.827 158 D CB -0.472 40.322 40.800 -0.010 0.000 0.973 158 D HN -0.018 nan 8.370 nan 0.000 0.496 159 c N 0.897 119.465 118.600 -0.055 0.000 2.459 159 c HA 0.271 4.841 4.570 -0.000 0.000 0.374 159 c C -0.594 173.451 174.090 -0.074 0.000 1.241 159 c CA -1.024 55.245 56.329 -0.099 0.000 2.352 159 c CB 1.391 43.823 42.510 -0.130 0.000 2.490 159 c HN 0.190 nan 8.230 nan 0.000 0.583 160 P HA -0.053 nan 4.420 nan 0.000 0.218 160 P C 0.505 177.783 177.300 -0.037 0.000 1.148 160 P CA 1.472 64.534 63.100 -0.063 0.000 0.822 160 P CB 0.022 31.671 31.700 -0.085 0.000 0.784 161 T N -7.517 107.013 114.554 -0.040 0.000 2.901 161 T HA 0.425 4.775 4.350 -0.000 0.000 0.293 161 T C -2.418 172.292 174.700 0.018 0.000 1.084 161 T CA -2.328 59.771 62.100 -0.001 0.000 1.008 161 T CB 1.697 70.574 68.868 0.015 0.000 1.170 161 T HN -0.328 nan 8.240 nan 0.000 0.509 162 P HA -0.034 nan 4.420 nan 0.000 0.217 162 P C 1.198 178.555 177.300 0.095 0.000 1.148 162 P CA 1.169 64.309 63.100 0.068 0.000 0.828 162 P CB 0.029 31.778 31.700 0.082 0.000 0.783 163 M N -2.722 116.946 119.600 0.114 0.000 2.371 163 M HA 0.321 4.801 4.480 -0.000 0.000 0.246 163 M C 1.278 177.678 176.300 0.166 0.000 1.103 163 M CA 0.533 55.929 55.300 0.159 0.000 1.010 163 M CB -0.208 32.504 32.600 0.186 0.000 1.457 163 M HN 0.084 nan 8.290 nan 0.000 0.486 164 G N 0.106 108.934 108.800 0.046 0.000 1.829 164 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.214 164 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.214 164 G C 0.731 175.510 174.900 -0.202 0.000 1.627 164 G CA 0.225 45.257 45.100 -0.115 0.000 1.390 164 G HN 0.176 nan 8.290 nan 0.000 0.458 165 T N 1.819 116.253 114.554 -0.201 0.000 2.964 165 T HA 0.317 4.667 4.350 -0.000 0.000 0.250 165 T C 0.647 175.312 174.700 -0.059 0.000 0.982 165 T CA 0.720 62.690 62.100 -0.217 0.000 0.959 165 T CB 0.291 68.927 68.868 -0.387 0.000 1.141 165 T HN 0.293 nan 8.240 nan 0.000 0.494 166 K N 1.342 121.748 120.400 0.010 0.000 2.132 166 K HA 0.679 4.999 4.320 -0.000 0.000 0.241 166 K C 0.788 177.444 176.600 0.093 0.000 1.000 166 K CA -0.075 56.249 56.287 0.063 0.000 0.911 166 K CB 0.760 33.314 32.500 0.090 0.000 1.093 166 K HN 0.354 nan 8.250 nan 0.000 0.460 167 G N 0.852 109.722 108.800 0.116 0.000 2.698 167 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.225 167 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.225 167 G C -0.924 174.037 174.900 0.101 0.000 1.345 167 G CA -0.609 44.580 45.100 0.147 0.000 0.871 167 G HN 0.447 nan 8.290 nan 0.000 0.540 168 K N -0.038 120.419 120.400 0.096 0.000 2.148 168 K HA 0.456 4.776 4.320 -0.000 0.000 0.239 168 K C 1.120 177.746 176.600 0.044 0.000 1.018 168 K CA -0.861 55.459 56.287 0.055 0.000 0.923 168 K CB 0.795 33.316 32.500 0.034 0.000 1.117 168 K HN 0.290 nan 8.250 nan 0.000 0.477 169 K N 0.869 121.285 120.400 0.026 0.000 2.211 169 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 169 K C 0.486 177.098 176.600 0.021 0.000 1.050 169 K CA 1.174 57.474 56.287 0.021 0.000 0.945 169 K CB 0.054 32.561 32.500 0.012 0.000 0.732 169 K HN 0.530 nan 8.250 nan 0.000 0.451 170 Q N 0.637 120.446 119.800 0.014 0.000 2.337 170 Q HA 0.251 4.591 4.340 -0.000 0.000 0.270 170 Q C -1.226 174.772 176.000 -0.004 0.000 1.043 170 Q CA -0.722 55.085 55.803 0.006 0.000 0.794 170 Q CB 1.295 30.029 28.738 -0.007 0.000 1.281 170 Q HN -0.160 nan 8.270 nan 0.000 0.446 171 L N 4.470 125.695 121.223 0.004 0.000 2.453 171 L HA 0.442 4.782 4.340 -0.000 0.000 0.261 171 L C -2.026 174.791 176.870 -0.088 0.000 1.179 171 L CA -1.662 53.162 54.840 -0.028 0.000 0.813 171 L CB -0.063 42.022 42.059 0.044 0.000 1.110 171 L HN 0.662 nan 8.230 nan 0.000 0.466 172 P HA 0.009 nan 4.420 nan 0.000 0.266 172 P C -0.987 176.301 177.300 -0.021 0.000 1.195 172 P CA -0.309 62.701 63.100 -0.149 0.000 0.768 172 P CB 0.274 31.804 31.700 -0.284 0.000 0.838 173 D N 1.756 122.173 120.400 0.028 0.000 2.472 173 D HA 0.103 4.743 4.640 -0.000 0.000 0.248 173 D C 1.283 177.661 176.300 0.131 0.000 1.174 173 D CA 0.284 54.327 54.000 0.072 0.000 0.883 173 D CB 0.558 41.399 40.800 0.069 0.000 1.149 173 D HN 0.327 nan 8.370 nan 0.000 0.488 174 A N 4.023 126.902 122.820 0.098 0.000 1.892 174 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 174 A C 1.977 179.630 177.584 0.115 0.000 1.188 174 A CA 2.038 54.138 52.037 0.105 0.000 0.631 174 A CB -0.760 18.287 19.000 0.079 0.000 0.822 174 A HN 0.750 nan 8.150 nan 0.000 0.447 175 E N -0.863 119.404 120.200 0.110 0.000 2.058 175 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 175 E C 1.679 178.348 176.600 0.116 0.000 0.997 175 E CA 1.717 58.178 56.400 0.101 0.000 0.801 175 E CB -0.528 29.228 29.700 0.093 0.000 0.746 175 E HN 0.553 nan 8.360 nan 0.000 0.450 176 F N 0.062 120.021 119.950 0.015 0.000 2.102 176 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 176 F C 1.923 177.741 175.800 0.029 0.000 1.105 176 F CA 1.153 59.153 58.000 -0.001 0.000 1.239 176 F CB -0.488 38.506 39.000 -0.010 0.000 0.991 176 F HN 0.159 nan 8.300 nan 0.000 0.474 177 L N -0.028 121.270 121.223 0.125 0.000 2.042 177 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 177 L C 2.551 179.492 176.870 0.119 0.000 1.076 177 L CA 2.058 57.007 54.840 0.182 0.000 0.749 177 L CB -1.210 40.980 42.059 0.218 0.000 0.893 177 L HN 0.134 nan 8.230 nan 0.000 0.432 178 S N -1.117 114.616 115.700 0.055 0.000 2.357 178 S HA -0.116 4.354 4.470 -0.000 0.000 0.221 178 S C 2.022 176.591 174.600 -0.052 0.000 1.031 178 S CA 0.931 59.154 58.200 0.039 0.000 0.982 178 S CB -0.202 63.033 63.200 0.057 0.000 0.853 178 S HN 0.388 nan 8.310 nan 0.000 0.458 179 R N 0.729 121.154 120.500 -0.126 0.000 2.092 179 R HA 0.106 4.446 4.340 -0.000 0.000 0.231 179 R C 2.579 178.684 176.300 -0.326 0.000 1.119 179 R CA 0.818 56.811 56.100 -0.179 0.000 0.970 179 R CB -0.093 30.111 30.300 -0.159 0.000 0.864 179 R HN 0.188 nan 8.270 nan 0.000 0.440 180 R N -0.513 119.634 120.500 -0.587 0.000 2.073 180 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 180 R C 1.622 177.393 176.300 -0.881 0.000 1.120 180 R CA 1.397 56.941 56.100 -0.927 0.000 0.967 180 R CB 0.004 29.343 30.300 -1.601 0.000 0.862 180 R HN 0.242 nan 8.270 nan 0.000 0.436 181 F N -1.190 118.641 119.950 -0.197 0.000 2.727 181 F HA 0.216 4.743 4.527 -0.000 0.000 0.302 181 F C 1.866 177.605 175.800 -0.102 0.000 1.107 181 F CA -0.014 57.905 58.000 -0.134 0.000 1.277 181 F CB 0.214 39.141 39.000 -0.121 0.000 1.079 181 F HN -0.178 nan 8.300 nan 0.000 0.594 182 L N -0.396 120.866 121.223 0.065 0.000 2.575 182 L HA 0.232 4.572 4.340 -0.000 0.000 0.228 182 L C 0.243 177.127 176.870 0.023 0.000 1.075 182 L CA -0.164 54.701 54.840 0.041 0.000 0.867 182 L CB 0.210 42.304 42.059 0.059 0.000 1.097 182 L HN 0.005 nan 8.230 nan 0.000 0.485 183 L N 1.977 123.196 121.223 -0.006 0.000 2.499 183 L HA 0.073 4.413 4.340 -0.000 0.000 0.273 183 L C 0.769 177.645 176.870 0.010 0.000 1.195 183 L CA 0.408 55.251 54.840 0.004 0.000 0.882 183 L CB 0.220 42.264 42.059 -0.025 0.000 1.133 183 L HN 0.108 nan 8.230 nan 0.000 0.483 184 R N 4.605 125.134 120.500 0.047 0.000 2.491 184 R HA 0.207 4.547 4.340 -0.000 0.000 0.283 184 R C 0.469 176.800 176.300 0.052 0.000 1.072 184 R CA 0.121 56.256 56.100 0.058 0.000 1.048 184 R CB 0.572 30.937 30.300 0.108 0.000 0.983 184 R HN 0.855 nan 8.270 nan 0.000 0.450 185 R N 2.085 122.605 120.500 0.033 0.000 2.076 185 R HA 0.123 4.463 4.340 -0.000 0.000 0.203 185 R C -0.089 176.241 176.300 0.050 0.000 1.229 185 R CA 0.202 56.317 56.100 0.024 0.000 1.094 185 R CB 0.063 30.360 30.300 -0.006 0.000 0.991 185 R HN 0.253 nan 8.270 nan 0.000 0.471 186 K N 0.857 121.286 120.400 0.048 0.000 2.345 186 K HA 0.190 4.510 4.320 -0.000 0.000 0.255 186 K C -1.324 175.338 176.600 0.103 0.000 0.934 186 K CA -0.737 55.594 56.287 0.073 0.000 0.801 186 K CB 0.974 33.496 32.500 0.037 0.000 1.137 186 K HN -0.073 nan 8.250 nan 0.000 0.424 187 F N 5.481 125.430 119.950 -0.001 0.000 2.602 187 F HA 0.211 4.738 4.527 -0.000 0.000 0.385 187 F C -0.361 175.426 175.800 -0.022 0.000 1.063 187 F CA 0.261 58.255 58.000 -0.010 0.000 1.233 187 F CB 0.254 39.245 39.000 -0.015 0.000 1.067 187 F HN 0.404 nan 8.300 nan 0.000 0.564 188 I N 9.345 129.474 120.570 -0.735 0.000 2.359 188 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 188 I C -2.108 173.387 176.117 -1.036 0.000 1.018 188 I CA -2.162 58.743 61.300 -0.658 0.000 1.173 188 I CB 1.113 38.910 38.000 -0.339 0.000 1.326 188 I HN 0.434 nan 8.210 nan 0.000 0.462 189 P HA 0.052 nan 4.420 nan 0.000 0.274 189 P C -0.800 176.297 177.300 -0.339 0.000 1.231 189 P CA -0.284 62.443 63.100 -0.621 0.000 0.790 189 P CB 1.013 32.582 31.700 -0.219 0.000 0.951 190 D N 2.963 123.217 120.400 -0.242 0.000 2.401 190 D HA 0.032 4.672 4.640 -0.000 0.000 0.254 190 D C -1.050 175.140 176.300 -0.184 0.000 1.192 190 D CA -1.824 52.038 54.000 -0.231 0.000 0.885 190 D CB 0.344 40.993 40.800 -0.252 0.000 1.147 190 D HN 0.190 nan 8.370 nan 0.000 0.478 191 P HA -0.159 nan 4.420 nan 0.000 0.225 191 P C 0.539 177.768 177.300 -0.118 0.000 1.148 191 P CA 0.993 64.017 63.100 -0.127 0.000 0.779 191 P CB 0.261 31.895 31.700 -0.111 0.000 0.780 192 Q N -0.876 118.826 119.800 -0.164 0.000 2.444 192 Q HA 0.196 4.536 4.340 -0.000 0.000 0.206 192 Q C 1.242 177.177 176.000 -0.108 0.000 0.948 192 Q CA 0.539 56.250 55.803 -0.153 0.000 0.946 192 Q CB -0.246 28.347 28.738 -0.242 0.000 1.027 192 Q HN 0.284 nan 8.270 nan 0.000 0.513 193 G N 1.161 109.902 108.800 -0.099 0.000 2.143 193 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.249 193 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.249 193 G C 0.238 175.121 174.900 -0.028 0.000 0.981 193 G CA 0.263 45.335 45.100 -0.046 0.000 0.665 193 G HN 0.313 nan 8.290 nan 0.000 0.528 194 T N 1.580 116.051 114.554 -0.137 0.000 2.946 194 T HA 0.414 4.764 4.350 -0.000 0.000 0.311 194 T C 0.799 175.490 174.700 -0.014 0.000 1.063 194 T CA 0.889 62.874 62.100 -0.192 0.000 1.139 194 T CB 0.809 69.373 68.868 -0.506 0.000 0.994 194 T HN 0.870 nan 8.240 nan 0.000 0.547 195 N N 1.860 120.633 118.700 0.121 0.000 2.906 195 N HA 0.367 5.107 4.740 -0.000 0.000 0.327 195 N C 0.746 176.388 175.510 0.221 0.000 1.344 195 N CA -1.129 52.034 53.050 0.188 0.000 0.823 195 N CB 0.314 38.956 38.487 0.258 0.000 1.351 195 N HN 0.364 nan 8.380 nan 0.000 0.604 196 L N -1.210 120.118 121.223 0.175 0.000 2.313 196 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 196 L C 2.006 178.974 176.870 0.162 0.000 1.119 196 L CA 0.753 55.594 54.840 0.001 0.000 0.809 196 L CB -0.405 41.603 42.059 -0.085 0.000 0.933 196 L HN 0.544 nan 8.230 nan 0.000 0.449 197 M N 0.067 119.937 119.600 0.449 0.000 2.159 197 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 197 M C 2.007 178.761 176.300 0.758 0.000 1.063 197 M CA 1.863 57.552 55.300 0.648 0.000 1.110 197 M CB -0.487 32.455 32.600 0.570 0.000 1.374 197 M HN 0.189 nan 8.290 nan 0.000 0.411 198 F N 0.191 120.416 119.950 0.459 0.000 2.128 198 F HA 0.041 4.568 4.527 -0.000 0.000 0.295 198 F C 2.058 177.977 175.800 0.198 0.000 1.100 198 F CA 1.557 59.664 58.000 0.178 0.000 1.260 198 F CB -0.732 38.244 39.000 -0.040 0.000 1.009 198 F HN 0.158 nan 8.300 nan 0.000 0.476 199 A N 0.285 123.280 122.820 0.291 0.000 1.908 199 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 199 A C 1.987 179.571 177.584 -0.001 0.000 1.181 199 A CA 1.893 53.985 52.037 0.092 0.000 0.627 199 A CB -1.498 17.454 19.000 -0.079 0.000 0.818 199 A HN 0.450 nan 8.150 nan 0.000 0.445 200 F N -1.770 118.275 119.950 0.158 0.000 2.325 200 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 200 F C 1.875 177.662 175.800 -0.022 0.000 1.090 200 F CA 0.232 58.289 58.000 0.096 0.000 1.392 200 F CB -0.867 38.224 39.000 0.151 0.000 1.053 200 F HN 0.343 nan 8.300 nan 0.000 0.521 201 F N 0.768 120.710 119.950 -0.014 0.000 2.084 201 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 201 F C 2.405 178.033 175.800 -0.286 0.000 1.111 201 F CA 1.467 59.185 58.000 -0.470 0.000 1.224 201 F CB -0.575 38.292 39.000 -0.221 0.000 0.991 201 F HN -0.085 nan 8.300 nan 0.000 0.471 202 A N -0.202 122.622 122.820 0.006 0.000 1.908 202 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 202 A C 2.222 179.746 177.584 -0.099 0.000 1.181 202 A CA 1.981 54.037 52.037 0.032 0.000 0.627 202 A CB -1.106 18.000 19.000 0.176 0.000 0.818 202 A HN 0.619 nan 8.150 nan 0.000 0.445 203 Q N -1.505 118.252 119.800 -0.072 0.000 2.079 203 Q HA -0.257 4.083 4.340 -0.000 0.000 0.200 203 Q C 2.016 177.864 176.000 -0.253 0.000 0.974 203 Q CA 1.963 57.680 55.803 -0.144 0.000 0.840 203 Q CB -0.249 28.438 28.738 -0.086 0.000 0.898 203 Q HN 0.897 nan 8.270 nan 0.000 0.430 204 H N -0.538 118.311 119.070 -0.369 0.000 2.293 204 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 204 H C 1.700 176.866 175.328 -0.271 0.000 1.082 204 H CA 2.143 57.944 56.048 -0.412 0.000 1.308 204 H CB -0.502 28.947 29.762 -0.522 0.000 1.375 204 H HN 0.340 nan 8.280 nan 0.000 0.495 205 F N 1.314 120.919 119.950 -0.575 0.000 2.069 205 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 205 F C 2.732 177.920 175.800 -1.021 0.000 1.113 205 F CA 2.524 60.068 58.000 -0.759 0.000 1.214 205 F CB -1.113 37.434 39.000 -0.755 0.000 0.978 205 F HN 0.387 nan 8.300 nan 0.000 0.474 206 T N -2.892 111.010 114.554 -1.087 0.000 2.915 206 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 206 T C 1.572 175.390 174.700 -1.469 0.000 1.071 206 T CA 1.701 62.757 62.100 -1.741 0.000 1.132 206 T CB -0.963 67.218 68.868 -1.145 0.000 0.878 206 T HN 0.415 nan 8.240 nan 0.000 0.479 207 H N 1.652 120.178 119.070 -0.906 0.000 2.563 207 H HA 0.108 4.664 4.556 -0.000 0.000 0.272 207 H C 2.371 177.288 175.328 -0.685 0.000 1.005 207 H CA 1.101 56.809 56.048 -0.568 0.000 1.171 207 H CB -0.204 29.467 29.762 -0.150 0.000 1.351 207 H HN 0.763 nan 8.280 nan 0.000 0.602 208 Q N -0.137 119.060 119.800 -1.004 0.000 2.398 208 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 208 Q C 0.644 176.258 176.000 -0.644 0.000 0.932 208 Q CA 0.803 56.092 55.803 -0.857 0.000 0.916 208 Q CB 0.023 28.017 28.738 -1.240 0.000 1.024 208 Q HN 0.595 nan 8.270 nan 0.000 0.504 209 F N -3.191 116.338 119.950 -0.702 0.000 2.746 209 F HA 0.513 5.040 4.527 -0.000 0.000 0.320 209 F C -0.438 175.038 175.800 -0.540 0.000 1.097 209 F CA -1.144 56.475 58.000 -0.635 0.000 1.195 209 F CB 0.688 39.282 39.000 -0.676 0.000 1.056 209 F HN -0.217 nan 8.300 nan 0.000 0.562 210 F N 3.303 123.054 119.950 -0.332 0.000 2.359 210 F HA 0.515 5.042 4.527 -0.000 0.000 0.369 210 F C -0.190 175.428 175.800 -0.303 0.000 1.084 210 F CA -1.586 56.276 58.000 -0.231 0.000 1.096 210 F CB 1.286 40.022 39.000 -0.440 0.000 1.335 210 F HN -0.063 nan 8.300 nan 0.000 0.457 211 K N 2.081 122.505 120.400 0.040 0.000 2.895 211 K HA 0.222 4.542 4.320 -0.000 0.000 0.191 211 K C -0.458 176.147 176.600 0.008 0.000 1.117 211 K CA -0.311 55.940 56.287 -0.061 0.000 0.988 211 K CB 1.240 33.655 32.500 -0.142 0.000 1.181 211 K HN 0.346 nan 8.250 nan 0.000 0.598 212 T N 1.229 115.844 114.554 0.102 0.000 2.902 212 T HA -0.036 4.314 4.350 -0.000 0.000 0.301 212 T C 0.472 175.207 174.700 0.057 0.000 1.012 212 T CA 0.434 62.621 62.100 0.144 0.000 1.151 212 T CB 0.894 69.878 68.868 0.193 0.000 0.946 212 T HN 0.268 nan 8.240 nan 0.000 0.542 213 S N 2.456 118.182 115.700 0.042 0.000 2.481 213 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 213 S C 1.623 176.236 174.600 0.021 0.000 1.247 213 S CA -0.456 57.749 58.200 0.009 0.000 1.053 213 S CB 0.472 63.655 63.200 -0.030 0.000 0.925 213 S HN 0.828 nan 8.310 nan 0.000 0.491 214 G N 5.325 114.130 108.800 0.007 0.000 2.402 214 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 214 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 214 G C 1.574 176.463 174.900 -0.018 0.000 1.162 214 G CA 0.813 45.915 45.100 0.003 0.000 0.777 214 G HN 0.797 nan 8.290 nan 0.000 0.539 215 K N 0.290 120.665 120.400 -0.043 0.000 2.026 215 K HA -0.020 4.300 4.320 -0.000 0.000 0.208 215 K C 2.342 178.873 176.600 -0.115 0.000 1.048 215 K CA 1.374 57.618 56.287 -0.072 0.000 0.929 215 K CB -0.603 31.847 32.500 -0.082 0.000 0.713 215 K HN 0.362 nan 8.250 nan 0.000 0.439 216 M N 0.761 120.259 119.600 -0.171 0.000 2.349 216 M HA 0.062 4.542 4.480 -0.000 0.000 0.266 216 M C 0.896 177.117 176.300 -0.131 0.000 1.076 216 M CA 1.025 56.122 55.300 -0.339 0.000 1.126 216 M CB -0.136 32.061 32.600 -0.670 0.000 1.392 216 M HN 0.570 nan 8.290 nan 0.000 0.440 217 G N 0.206 109.029 108.800 0.038 0.000 2.631 217 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.504 217 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.504 217 G C -3.042 172.010 174.900 0.253 0.000 1.306 217 G CA -1.401 43.782 45.100 0.138 0.000 0.897 217 G HN 0.059 nan 8.290 nan 0.000 0.520 218 P HA 0.379 nan 4.420 nan 0.000 0.266 218 P C 1.076 178.464 177.300 0.147 0.000 1.195 218 P CA 2.287 65.479 63.100 0.153 0.000 0.768 218 P CB 0.717 32.470 31.700 0.087 0.000 0.838 219 G N 0.628 109.507 108.800 0.131 0.000 2.195 219 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 219 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 219 G C -0.176 174.538 174.900 -0.311 0.000 0.984 219 G CA -0.512 44.569 45.100 -0.032 0.000 0.633 219 G HN 0.411 nan 8.290 nan 0.000 0.525 220 F N 0.534 120.511 119.950 0.044 0.000 2.508 220 F HA 0.755 5.282 4.527 -0.000 0.000 0.325 220 F C 0.468 176.033 175.800 -0.392 0.000 1.090 220 F CA -0.194 57.675 58.000 -0.219 0.000 0.945 220 F CB 2.527 41.393 39.000 -0.222 0.000 1.156 220 F HN 0.056 nan 8.300 nan 0.000 0.463 221 T N 0.784 115.092 114.554 -0.410 0.000 2.916 221 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 221 T C 0.219 174.764 174.700 -0.258 0.000 1.055 221 T CA -0.628 61.173 62.100 -0.499 0.000 1.009 221 T CB 1.535 69.808 68.868 -0.991 0.000 1.118 221 T HN 0.731 nan 8.240 nan 0.000 0.497 222 K N 1.272 121.549 120.400 -0.204 0.000 2.355 222 K HA 0.366 4.686 4.320 -0.000 0.000 0.198 222 K C 0.589 177.080 176.600 -0.181 0.000 1.039 222 K CA -0.126 56.067 56.287 -0.157 0.000 1.075 222 K CB 0.734 33.164 32.500 -0.116 0.000 0.870 222 K HN 0.509 nan 8.250 nan 0.000 0.540 223 A N 2.188 124.864 122.820 -0.240 0.000 3.015 223 A HA 0.202 4.522 4.320 -0.000 0.000 0.293 223 A C 1.008 178.395 177.584 -0.327 0.000 1.572 223 A CA -0.244 51.643 52.037 -0.249 0.000 1.274 223 A CB -0.687 18.164 19.000 -0.249 0.000 1.156 223 A HN 0.218 nan 8.150 nan 0.000 0.562 224 L N 0.962 122.061 121.223 -0.206 0.000 2.450 224 L HA -0.123 4.217 4.340 -0.000 0.000 0.224 224 L C 2.358 179.216 176.870 -0.021 0.000 1.149 224 L CA 1.109 55.882 54.840 -0.112 0.000 0.816 224 L CB -0.410 41.622 42.059 -0.043 0.000 0.932 224 L HN 0.691 nan 8.230 nan 0.000 0.449 225 G N -2.177 106.578 108.800 -0.075 0.000 2.511 225 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 225 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 225 G C 0.675 175.606 174.900 0.051 0.000 1.133 225 G CA -0.094 45.005 45.100 -0.002 0.000 0.792 225 G HN 0.571 nan 8.290 nan 0.000 0.539 226 H N -0.397 118.645 119.070 -0.046 0.000 2.690 226 H HA -0.170 4.386 4.556 -0.000 0.000 0.309 226 H C 1.164 176.428 175.328 -0.107 0.000 1.138 226 H CA 1.175 57.192 56.048 -0.052 0.000 1.142 226 H CB -1.365 28.366 29.762 -0.051 0.000 1.410 226 H HN 0.782 nan 8.280 nan 0.000 0.409 227 G N -1.727 107.039 108.800 -0.057 0.000 2.356 227 G HA2 0.237 4.197 3.960 -0.000 0.000 0.281 227 G HA3 0.237 4.197 3.960 -0.000 0.000 0.281 227 G C -0.819 174.072 174.900 -0.016 0.000 1.246 227 G CA -0.257 44.763 45.100 -0.133 0.000 0.889 227 G HN 0.139 nan 8.290 nan 0.000 0.486 228 V N 2.550 122.470 119.914 0.010 0.000 2.229 228 V HA 0.255 4.375 4.120 -0.000 0.000 0.245 228 V C 0.401 176.539 176.094 0.073 0.000 1.243 228 V CA 0.870 63.203 62.300 0.054 0.000 1.176 228 V CB 0.181 32.099 31.823 0.159 0.000 1.323 228 V HN 0.750 nan 8.190 nan 0.000 0.499 229 D N 2.842 123.265 120.400 0.039 0.000 2.433 229 D HA 0.060 4.700 4.640 -0.000 0.000 0.211 229 D C 0.843 177.221 176.300 0.129 0.000 1.114 229 D CA -0.524 53.524 54.000 0.079 0.000 0.837 229 D CB 0.332 41.164 40.800 0.053 0.000 0.984 229 D HN 0.233 nan 8.370 nan 0.000 0.505 230 L N 0.468 121.752 121.223 0.103 0.000 3.865 230 L HA -0.138 4.202 4.340 -0.000 0.000 0.408 230 L C 1.686 178.719 176.870 0.272 0.000 1.209 230 L CA 0.634 55.611 54.840 0.228 0.000 0.940 230 L CB -1.911 40.291 42.059 0.238 0.000 1.971 230 L HN 0.328 nan 8.230 nan 0.000 0.899 231 G N -0.712 108.170 108.800 0.136 0.000 2.535 231 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 231 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 231 G C 1.161 176.069 174.900 0.014 0.000 1.122 231 G CA 0.759 45.900 45.100 0.068 0.000 0.769 231 G HN 0.818 nan 8.290 nan 0.000 0.549 232 H N -0.591 118.317 119.070 -0.271 0.000 2.547 232 H HA 0.270 4.826 4.556 -0.000 0.000 0.266 232 H C 1.792 176.975 175.328 -0.242 0.000 0.988 232 H CA -0.069 55.764 56.048 -0.359 0.000 1.147 232 H CB -0.234 29.281 29.762 -0.412 0.000 1.365 232 H HN 0.444 nan 8.280 nan 0.000 0.589 233 I N -0.969 119.373 120.570 -0.380 0.000 3.443 233 I HA -0.033 4.137 4.170 -0.000 0.000 0.277 233 I C 1.095 176.934 176.117 -0.464 0.000 1.169 233 I CA 0.095 61.073 61.300 -0.536 0.000 1.419 233 I CB 0.151 37.611 38.000 -0.899 0.000 1.331 233 I HN -0.037 nan 8.210 nan 0.000 0.458 234 Y N 1.554 121.840 120.300 -0.023 0.000 2.482 234 Y HA 0.459 5.009 4.550 -0.000 0.000 0.270 234 Y C 1.151 177.056 175.900 0.009 0.000 1.152 234 Y CA 0.096 58.221 58.100 0.042 0.000 1.292 234 Y CB -0.134 38.406 38.460 0.133 0.000 1.070 234 Y HN 0.154 nan 8.280 nan 0.000 0.528 235 G N 1.083 109.918 108.800 0.058 0.000 2.712 235 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 235 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 235 G C -0.264 174.630 174.900 -0.011 0.000 1.181 235 G CA -0.307 44.787 45.100 -0.010 0.000 0.762 235 G HN 0.315 nan 8.290 nan 0.000 0.641 236 D N -0.246 120.113 120.400 -0.067 0.000 2.340 236 D HA 0.057 4.697 4.640 -0.000 0.000 0.220 236 D C 0.793 177.054 176.300 -0.065 0.000 1.039 236 D CA 0.889 54.845 54.000 -0.072 0.000 0.866 236 D CB -0.061 40.671 40.800 -0.113 0.000 0.913 236 D HN 0.828 nan 8.370 nan 0.000 0.523 237 N N -0.348 118.313 118.700 -0.064 0.000 2.329 237 N HA 0.083 4.823 4.740 -0.000 0.000 0.282 237 N C 0.370 175.814 175.510 -0.109 0.000 1.198 237 N CA -0.789 52.213 53.050 -0.081 0.000 0.790 237 N CB 1.743 40.180 38.487 -0.083 0.000 1.579 237 N HN -0.114 nan 8.380 nan 0.000 0.475 238 L N 0.627 121.750 121.223 -0.167 0.000 2.042 238 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 238 L C 2.338 178.956 176.870 -0.420 0.000 1.076 238 L CA 2.478 57.118 54.840 -0.332 0.000 0.749 238 L CB -0.338 41.489 42.059 -0.387 0.000 0.893 238 L HN 0.764 nan 8.230 nan 0.000 0.432 239 E N -0.236 119.815 120.200 -0.249 0.000 2.110 239 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 239 E C 2.166 178.741 176.600 -0.041 0.000 0.988 239 E CA 1.328 57.648 56.400 -0.133 0.000 0.804 239 E CB -0.489 29.172 29.700 -0.066 0.000 0.745 239 E HN 0.325 nan 8.360 nan 0.000 0.458 240 R N 0.405 120.872 120.500 -0.054 0.000 2.075 240 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 240 R C 2.572 178.882 176.300 0.016 0.000 1.126 240 R CA 1.691 57.781 56.100 -0.017 0.000 0.963 240 R CB -0.218 30.056 30.300 -0.042 0.000 0.858 240 R HN 0.457 nan 8.270 nan 0.000 0.435 241 Q N -0.306 119.492 119.800 -0.003 0.000 2.061 241 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 241 Q C 1.696 177.764 176.000 0.112 0.000 0.984 241 Q CA 1.818 57.648 55.803 0.046 0.000 0.846 241 Q CB -0.265 28.486 28.738 0.021 0.000 0.902 241 Q HN 0.590 nan 8.270 nan 0.000 0.421 242 Y N -0.321 119.973 120.300 -0.011 0.000 2.224 242 Y HA -0.244 4.306 4.550 -0.000 0.000 0.289 242 Y C 2.542 178.533 175.900 0.152 0.000 1.146 242 Y CA 0.725 58.899 58.100 0.124 0.000 1.182 242 Y CB 0.165 38.766 38.460 0.235 0.000 0.983 242 Y HN 0.308 nan 8.280 nan 0.000 0.524 243 Q N 0.163 120.107 119.800 0.240 0.000 2.230 243 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 243 Q C 1.758 177.811 176.000 0.088 0.000 0.963 243 Q CA 0.999 56.894 55.803 0.152 0.000 0.866 243 Q CB -0.115 28.680 28.738 0.095 0.000 0.931 243 Q HN 0.294 nan 8.270 nan 0.000 0.452 244 L N -0.255 120.998 121.223 0.051 0.000 2.341 244 L HA 0.130 4.470 4.340 -0.000 0.000 0.214 244 L C 0.409 177.259 176.870 -0.034 0.000 1.115 244 L CA 0.989 55.841 54.840 0.020 0.000 0.820 244 L CB -0.245 41.831 42.059 0.029 0.000 0.944 244 L HN 0.030 nan 8.230 nan 0.000 0.452 245 R N -0.739 119.656 120.500 -0.175 0.000 2.490 245 R HA 0.124 4.464 4.340 -0.000 0.000 0.278 245 R C 1.118 177.234 176.300 -0.308 0.000 1.069 245 R CA -0.257 55.597 56.100 -0.411 0.000 1.080 245 R CB 0.994 30.649 30.300 -1.074 0.000 1.030 245 R HN 0.069 nan 8.270 nan 0.000 0.491 246 L N 2.202 123.323 121.223 -0.170 0.000 2.270 246 L HA 0.054 4.394 4.340 -0.000 0.000 0.210 246 L C -0.024 176.907 176.870 0.101 0.000 1.104 246 L CA 0.774 55.621 54.840 0.013 0.000 0.804 246 L CB 0.168 42.281 42.059 0.091 0.000 0.937 246 L HN 0.800 nan 8.230 nan 0.000 0.450 247 F N 0.073 120.021 119.950 -0.004 0.000 3.018 247 F HA -0.298 4.229 4.527 -0.000 0.000 0.287 247 F C 0.527 176.335 175.800 0.012 0.000 0.813 247 F CA 0.804 58.780 58.000 -0.040 0.000 1.209 247 F CB -1.231 37.708 39.000 -0.102 0.000 1.321 247 F HN 0.138 nan 8.300 nan 0.000 0.477 248 K N 0.626 121.121 120.400 0.159 0.000 2.507 248 K HA 0.381 4.701 4.320 -0.000 0.000 0.251 248 K C -0.029 176.662 176.600 0.152 0.000 0.943 248 K CA -0.426 55.949 56.287 0.146 0.000 0.794 248 K CB 1.205 33.782 32.500 0.129 0.000 1.188 248 K HN 0.020 nan 8.250 nan 0.000 0.428 249 D N 3.040 123.529 120.400 0.149 0.000 2.983 249 D HA -0.197 4.443 4.640 -0.000 0.000 0.225 249 D C 0.679 177.093 176.300 0.189 0.000 1.174 249 D CA 1.877 55.970 54.000 0.156 0.000 0.831 249 D CB -1.313 39.568 40.800 0.135 0.000 1.104 249 D HN 1.090 nan 8.370 nan 0.000 0.421 250 G N -0.737 108.192 108.800 0.215 0.000 2.168 250 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.263 250 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.263 250 G C 0.432 175.599 174.900 0.445 0.000 0.977 250 G CA 1.034 46.320 45.100 0.310 0.000 0.659 250 G HN 0.529 nan 8.290 nan 0.000 0.533 251 K N -0.846 119.751 120.400 0.328 0.000 2.102 251 K HA 0.624 4.943 4.320 -0.000 0.000 0.244 251 K C 0.032 176.819 176.600 0.313 0.000 1.021 251 K CA -0.862 55.662 56.287 0.396 0.000 0.913 251 K CB 0.746 33.425 32.500 0.298 0.000 1.062 251 K HN 0.023 nan 8.250 nan 0.000 0.485 252 L N 1.892 123.307 121.223 0.321 0.000 2.325 252 L HA 0.243 4.583 4.340 -0.000 0.000 0.279 252 L C 0.051 177.067 176.870 0.243 0.000 1.054 252 L CA -0.099 54.849 54.840 0.180 0.000 0.804 252 L CB 1.191 43.316 42.059 0.110 0.000 1.200 252 L HN 0.434 nan 8.230 nan 0.000 0.436 253 K N 2.802 123.287 120.400 0.141 0.000 2.440 253 K HA 0.279 4.598 4.320 -0.000 0.000 0.270 253 K C -1.177 175.552 176.600 0.216 0.000 0.980 253 K CA 0.515 56.867 56.287 0.108 0.000 0.953 253 K CB 0.440 32.957 32.500 0.029 0.000 0.925 253 K HN 0.584 nan 8.250 nan 0.000 0.497 254 Y N -2.336 118.000 120.300 0.060 0.000 2.750 254 Y HA 0.282 4.832 4.550 -0.000 0.000 0.335 254 Y C -1.620 174.322 175.900 0.069 0.000 1.252 254 Y CA -1.383 56.758 58.100 0.068 0.000 1.064 254 Y CB 1.014 39.511 38.460 0.062 0.000 1.321 254 Y HN 0.608 nan 8.280 nan 0.000 0.451 255 Q N 1.540 121.475 119.800 0.225 0.000 2.421 255 Q HA 0.682 5.022 4.340 -0.000 0.000 0.280 255 Q C -1.654 174.514 176.000 0.282 0.000 1.085 255 Q CA -1.293 54.590 55.803 0.132 0.000 0.807 255 Q CB 2.814 31.605 28.738 0.089 0.000 1.405 255 Q HN 0.628 nan 8.270 nan 0.000 0.419 256 M N 2.465 122.188 119.600 0.205 0.000 2.300 256 M HA 0.537 5.017 4.480 -0.000 0.000 0.348 256 M C -1.114 175.298 176.300 0.186 0.000 1.151 256 M CA -0.455 54.971 55.300 0.210 0.000 1.046 256 M CB 0.883 33.578 32.600 0.159 0.000 1.647 256 M HN 0.695 nan 8.290 nan 0.000 0.451 257 L N 3.937 125.309 121.223 0.249 0.000 2.516 257 L HA 0.372 4.712 4.340 -0.000 0.000 0.267 257 L C -0.145 176.843 176.870 0.196 0.000 0.957 257 L CA -0.584 54.367 54.840 0.185 0.000 0.860 257 L CB 1.800 43.934 42.059 0.124 0.000 1.265 257 L HN 0.745 nan 8.230 nan 0.000 0.403 258 N N 2.409 121.170 118.700 0.102 0.000 2.725 258 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 258 N C 0.962 176.520 175.510 0.080 0.000 1.103 258 N CA 1.335 54.432 53.050 0.079 0.000 0.707 258 N CB -0.912 37.624 38.487 0.081 0.000 1.043 258 N HN 1.158 nan 8.380 nan 0.000 0.553 259 G N -1.428 107.418 108.800 0.077 0.000 2.155 259 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 259 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 259 G C -0.176 174.745 174.900 0.036 0.000 0.983 259 G CA 0.901 46.033 45.100 0.053 0.000 0.676 259 G HN 0.490 nan 8.290 nan 0.000 0.528 260 E N -0.596 119.641 120.200 0.063 0.000 2.221 260 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 260 E C 0.124 176.629 176.600 -0.159 0.000 0.933 260 E CA -0.826 55.529 56.400 -0.074 0.000 0.809 260 E CB 2.233 31.874 29.700 -0.098 0.000 1.190 260 E HN 0.102 nan 8.360 nan 0.000 0.406 261 V N 2.998 122.712 119.914 -0.333 0.000 2.498 261 V HA 0.258 4.378 4.120 -0.000 0.000 0.279 261 V C -0.707 175.082 176.094 -0.509 0.000 1.048 261 V CA -0.001 62.145 62.300 -0.257 0.000 0.967 261 V CB -0.212 31.451 31.823 -0.266 0.000 0.988 261 V HN 0.518 nan 8.190 nan 0.000 0.473 262 Y N 3.971 124.334 120.300 0.105 0.000 2.615 262 Y HA 0.481 5.031 4.550 -0.000 0.000 0.341 262 Y C -2.443 173.533 175.900 0.126 0.000 1.089 262 Y CA -2.667 55.483 58.100 0.083 0.000 1.049 262 Y CB 2.147 40.642 38.460 0.057 0.000 1.296 262 Y HN 0.413 nan 8.280 nan 0.000 0.470 263 P HA 0.042 nan 4.420 nan 0.000 0.269 263 P C -2.521 174.886 177.300 0.178 0.000 1.215 263 P CA -0.793 62.428 63.100 0.202 0.000 0.780 263 P CB 0.065 31.866 31.700 0.167 0.000 0.898 264 P HA 0.009 nan 4.420 nan 0.000 0.272 264 P C -0.350 176.985 177.300 0.058 0.000 1.240 264 P CA 0.002 63.148 63.100 0.078 0.000 0.791 264 P CB 0.484 32.211 31.700 0.045 0.000 0.978 265 S N -0.396 115.319 115.700 0.026 0.000 2.652 265 S HA 0.130 4.600 4.470 -0.000 0.000 0.270 265 S C 1.383 175.987 174.600 0.007 0.000 1.243 265 S CA -0.678 57.524 58.200 0.003 0.000 0.999 265 S CB 0.206 63.392 63.200 -0.023 0.000 0.973 265 S HN 0.214 nan 8.310 nan 0.000 0.544 266 V N 1.699 121.611 119.914 -0.003 0.000 2.867 266 V HA -0.126 3.994 4.120 -0.000 0.000 0.260 266 V C 2.431 178.524 176.094 -0.001 0.000 1.099 266 V CA 1.953 64.257 62.300 0.008 0.000 1.122 266 V CB -1.396 30.432 31.823 0.008 0.000 0.708 266 V HN 0.891 nan 8.190 nan 0.000 0.490 267 E N -0.169 120.023 120.200 -0.013 0.000 2.106 267 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 267 E C 2.106 178.702 176.600 -0.006 0.000 0.984 267 E CA 1.054 57.446 56.400 -0.013 0.000 0.806 267 E CB -0.012 29.675 29.700 -0.021 0.000 0.750 267 E HN 0.581 nan 8.360 nan 0.000 0.458 268 E N -0.257 119.940 120.200 -0.005 0.000 2.340 268 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 268 E C 0.256 176.862 176.600 0.010 0.000 0.996 268 E CA 0.257 56.654 56.400 -0.004 0.000 0.869 268 E CB 0.841 30.531 29.700 -0.017 0.000 0.835 268 E HN 0.063 nan 8.360 nan 0.000 0.493 269 A N 2.310 125.140 122.820 0.018 0.000 2.978 269 A HA 0.424 4.744 4.320 -0.000 0.000 0.341 269 A C -2.502 175.099 177.584 0.028 0.000 1.105 269 A CA -1.441 50.614 52.037 0.030 0.000 0.819 269 A CB 0.439 19.460 19.000 0.036 0.000 1.080 269 A HN -0.201 nan 8.150 nan 0.000 0.476 270 P HA 0.090 nan 4.420 nan 0.000 0.240 270 P C -0.391 176.922 177.300 0.021 0.000 1.594 270 P CA 0.864 63.976 63.100 0.021 0.000 1.184 270 P CB 0.070 31.781 31.700 0.019 0.000 1.915 271 V N 3.530 123.457 119.914 0.021 0.000 2.769 271 V HA 0.265 4.385 4.120 -0.000 0.000 0.312 271 V C -0.036 176.062 176.094 0.005 0.000 1.061 271 V CA -1.219 61.086 62.300 0.009 0.000 0.931 271 V CB 2.557 34.383 31.823 0.005 0.000 1.010 271 V HN 0.194 nan 8.190 nan 0.000 0.433 272 L N 6.242 127.454 121.223 -0.019 0.000 2.477 272 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 272 L C -0.720 176.105 176.870 -0.076 0.000 1.157 272 L CA 0.798 55.622 54.840 -0.027 0.000 0.889 272 L CB 0.756 42.789 42.059 -0.043 0.000 1.158 272 L HN 0.591 nan 8.230 nan 0.000 0.473 273 M N 4.897 124.496 119.600 -0.001 0.000 2.464 273 M HA 0.295 4.775 4.480 -0.000 0.000 0.308 273 M C -0.732 175.601 176.300 0.055 0.000 1.127 273 M CA -0.658 54.635 55.300 -0.011 0.000 0.913 273 M CB 1.732 34.479 32.600 0.245 0.000 1.689 273 M HN 0.423 nan 8.290 nan 0.000 0.445 274 H N 3.153 122.205 119.070 -0.031 0.000 2.969 274 H HA 0.377 4.933 4.556 -0.000 0.000 0.269 274 H C -1.261 174.032 175.328 -0.058 0.000 1.223 274 H CA 0.243 56.286 56.048 -0.007 0.000 1.400 274 H CB -0.540 29.232 29.762 0.015 0.000 1.500 274 H HN 0.370 nan 8.280 nan 0.000 0.486 275 Y N 1.997 122.392 120.300 0.159 0.000 2.499 275 Y HA 0.298 4.848 4.550 -0.000 0.000 0.347 275 Y C -1.820 173.967 175.900 -0.190 0.000 0.987 275 Y CA -2.558 55.543 58.100 0.002 0.000 1.044 275 Y CB 1.346 39.826 38.460 0.033 0.000 1.245 275 Y HN 0.430 nan 8.280 nan 0.000 0.461 276 P HA 0.103 nan 4.420 nan 0.000 0.265 276 P C -0.356 176.888 177.300 -0.093 0.000 1.193 276 P CA -0.258 62.685 63.100 -0.262 0.000 0.765 276 P CB 0.535 32.001 31.700 -0.389 0.000 0.823 277 R N 2.041 122.501 120.500 -0.067 0.000 2.640 277 R HA 0.226 4.566 4.340 -0.000 0.000 0.270 277 R C 1.522 177.797 176.300 -0.042 0.000 1.024 277 R CA 1.424 57.502 56.100 -0.036 0.000 1.085 277 R CB -0.608 29.674 30.300 -0.030 0.000 0.963 277 R HN 0.910 nan 8.270 nan 0.000 0.426 278 G N 2.008 110.787 108.800 -0.034 0.000 2.179 278 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 278 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 278 G C 0.237 175.110 174.900 -0.045 0.000 0.990 278 G CA -0.321 44.758 45.100 -0.036 0.000 0.646 278 G HN 0.506 nan 8.290 nan 0.000 0.517 279 I N 3.751 124.286 120.570 -0.057 0.000 2.325 279 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 279 I C -1.493 174.560 176.117 -0.108 0.000 1.019 279 I CA -2.140 59.108 61.300 -0.086 0.000 1.302 279 I CB 1.317 39.250 38.000 -0.112 0.000 1.401 279 I HN -0.053 nan 8.210 nan 0.000 0.485 280 P HA 0.087 nan 4.420 nan 0.000 0.264 280 P C -2.339 174.885 177.300 -0.128 0.000 1.193 280 P CA -1.108 61.937 63.100 -0.092 0.000 0.763 280 P CB 0.277 31.933 31.700 -0.074 0.000 0.810 281 P HA -0.192 nan 4.420 nan 0.000 0.217 281 P C 1.592 178.826 177.300 -0.111 0.000 1.148 281 P CA 1.718 64.754 63.100 -0.106 0.000 0.834 281 P CB -0.078 31.585 31.700 -0.061 0.000 0.783 282 Q N -1.234 118.511 119.800 -0.092 0.000 2.226 282 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 282 Q C 1.511 177.448 176.000 -0.105 0.000 0.975 282 Q CA 1.281 57.036 55.803 -0.080 0.000 0.866 282 Q CB -0.315 28.385 28.738 -0.063 0.000 0.915 282 Q HN 0.261 nan 8.270 nan 0.000 0.440 283 S N 0.177 115.790 115.700 -0.145 0.000 2.556 283 S HA 0.081 4.551 4.470 -0.000 0.000 0.216 283 S C -0.018 174.413 174.600 -0.282 0.000 0.970 283 S CA -0.022 58.075 58.200 -0.172 0.000 0.912 283 S CB 0.273 63.380 63.200 -0.154 0.000 0.790 283 S HN 0.283 nan 8.310 nan 0.000 0.504 284 Q N 1.342 120.936 119.800 -0.342 0.000 2.331 284 Q HA 0.417 4.757 4.340 -0.000 0.000 0.257 284 Q C -0.704 175.215 176.000 -0.135 0.000 0.957 284 Q CA 0.096 55.574 55.803 -0.541 0.000 0.923 284 Q CB 1.058 29.457 28.738 -0.565 0.000 1.212 284 Q HN 0.346 nan 8.270 nan 0.000 0.443 285 M N 1.695 121.328 119.600 0.054 0.000 2.216 285 M HA 0.406 4.886 4.480 -0.000 0.000 0.356 285 M C -0.291 176.120 176.300 0.186 0.000 1.205 285 M CA -0.423 54.952 55.300 0.124 0.000 1.122 285 M CB 1.278 33.961 32.600 0.138 0.000 1.571 285 M HN 0.601 nan 8.290 nan 0.000 0.464 286 A N 3.814 126.706 122.820 0.120 0.000 2.260 286 A HA 0.705 5.025 4.320 -0.000 0.000 0.308 286 A C -0.477 177.156 177.584 0.082 0.000 1.254 286 A CA -0.579 51.517 52.037 0.098 0.000 0.874 286 A CB 0.318 19.357 19.000 0.064 0.000 1.153 286 A HN 0.764 nan 8.150 nan 0.000 0.527 287 V N -0.056 119.892 119.914 0.057 0.000 3.182 287 V HA 0.856 4.976 4.120 -0.000 0.000 0.308 287 V C 1.101 177.162 176.094 -0.055 0.000 1.240 287 V CA -0.082 62.239 62.300 0.034 0.000 1.063 287 V CB 1.002 32.896 31.823 0.118 0.000 1.076 287 V HN 1.030 nan 8.190 nan 0.000 0.446 288 G N -0.651 108.093 108.800 -0.093 0.000 2.469 288 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 288 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 288 G C 0.714 175.453 174.900 -0.267 0.000 1.150 288 G CA 0.890 45.899 45.100 -0.152 0.000 0.763 288 G HN 0.699 nan 8.290 nan 0.000 0.561 289 Q N 0.223 119.729 119.800 -0.489 0.000 2.303 289 Q HA 0.235 4.575 4.340 -0.000 0.000 0.257 289 Q C 0.888 176.526 176.000 -0.603 0.000 0.941 289 Q CA -0.233 55.103 55.803 -0.779 0.000 0.931 289 Q CB 1.627 29.297 28.738 -1.780 0.000 1.215 289 Q HN 0.380 nan 8.270 nan 0.000 0.437 290 E N 1.330 121.271 120.200 -0.432 0.000 2.219 290 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 290 E C 1.487 177.895 176.600 -0.320 0.000 0.998 290 E CA 1.454 57.609 56.400 -0.409 0.000 0.818 290 E CB -0.098 29.227 29.700 -0.625 0.000 0.741 290 E HN 0.498 nan 8.360 nan 0.000 0.477 291 V N -2.128 117.660 119.914 -0.210 0.000 3.649 291 V HA 0.106 4.226 4.120 -0.000 0.000 0.275 291 V C 1.011 177.149 176.094 0.073 0.000 1.281 291 V CA 0.195 62.496 62.300 0.003 0.000 1.143 291 V CB -0.567 31.339 31.823 0.138 0.000 0.892 291 V HN -0.017 nan 8.190 nan 0.000 0.441 292 F N 2.708 122.561 119.950 -0.161 0.000 2.641 292 F HA 0.296 4.823 4.527 -0.000 0.000 0.298 292 F C 2.269 177.928 175.800 -0.234 0.000 1.146 292 F CA 0.468 58.364 58.000 -0.173 0.000 1.464 292 F CB -1.157 37.792 39.000 -0.086 0.000 1.101 292 F HN 0.407 nan 8.300 nan 0.000 0.585 293 G N -0.449 108.254 108.800 -0.161 0.000 2.744 293 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.211 293 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.211 293 G C 1.723 176.385 174.900 -0.397 0.000 1.143 293 G CA 0.196 45.128 45.100 -0.281 0.000 0.788 293 G HN 0.340 nan 8.290 nan 0.000 0.534 294 L N -0.252 120.623 121.223 -0.579 0.000 2.046 294 L HA 0.281 4.621 4.340 -0.000 0.000 0.208 294 L C 0.609 177.002 176.870 -0.795 0.000 1.077 294 L CA 1.422 55.614 54.840 -1.081 0.000 0.747 294 L CB -0.067 41.603 42.059 -0.648 0.000 0.896 294 L HN 0.062 nan 8.230 nan 0.000 0.432 295 L N -1.196 119.678 121.223 -0.582 0.000 2.431 295 L HA 0.348 4.688 4.340 -0.000 0.000 0.266 295 L C -1.835 174.596 176.870 -0.732 0.000 0.978 295 L CA -1.664 52.736 54.840 -0.733 0.000 0.822 295 L CB 1.666 43.371 42.059 -0.591 0.000 1.310 295 L HN -0.301 nan 8.230 nan 0.000 0.409 296 P HA -0.103 nan 4.420 nan 0.000 0.220 296 P C 1.437 178.453 177.300 -0.473 0.000 1.148 296 P CA 1.033 63.783 63.100 -0.582 0.000 0.803 296 P CB 0.329 31.686 31.700 -0.572 0.000 0.782 297 G N -0.602 107.697 108.800 -0.835 0.000 2.432 297 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 297 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 297 G C 1.303 175.809 174.900 -0.657 0.000 1.135 297 G CA 0.502 44.891 45.100 -1.186 0.000 0.767 297 G HN 0.155 nan 8.290 nan 0.000 0.550 298 L N -0.466 120.400 121.223 -0.594 0.000 2.095 298 L HA 0.281 4.621 4.340 -0.000 0.000 0.204 298 L C 2.614 179.280 176.870 -0.340 0.000 1.080 298 L CA 1.159 55.701 54.840 -0.497 0.000 0.759 298 L CB -0.616 41.060 42.059 -0.638 0.000 0.914 298 L HN 0.189 nan 8.230 nan 0.000 0.439 299 M N -1.322 118.133 119.600 -0.241 0.000 2.394 299 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 299 M C 1.946 178.210 176.300 -0.059 0.000 1.073 299 M CA 1.303 56.555 55.300 -0.080 0.000 1.111 299 M CB -0.423 32.145 32.600 -0.054 0.000 1.401 299 M HN 0.165 nan 8.290 nan 0.000 0.448 300 L N -1.202 119.947 121.223 -0.124 0.000 1.994 300 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 300 L C 1.918 178.667 176.870 -0.202 0.000 1.071 300 L CA 1.923 56.687 54.840 -0.127 0.000 0.745 300 L CB -0.618 41.368 42.059 -0.121 0.000 0.892 300 L HN 0.254 nan 8.230 nan 0.000 0.431 301 Y N -0.007 120.158 120.300 -0.225 0.000 2.293 301 Y HA -0.148 4.402 4.550 -0.000 0.000 0.291 301 Y C 2.641 178.394 175.900 -0.245 0.000 1.137 301 Y CA 1.229 59.114 58.100 -0.359 0.000 1.202 301 Y CB -0.636 37.353 38.460 -0.784 0.000 0.990 301 Y HN 0.283 nan 8.280 nan 0.000 0.537 302 A N -0.822 121.997 122.820 -0.002 0.000 1.933 302 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 302 A C 2.271 179.934 177.584 0.133 0.000 1.175 302 A CA 2.245 54.393 52.037 0.185 0.000 0.628 302 A CB -1.069 18.074 19.000 0.240 0.000 0.814 302 A HN 0.401 nan 8.150 nan 0.000 0.444 303 T N 0.095 114.688 114.554 0.065 0.000 2.770 303 T HA -0.018 4.332 4.350 -0.000 0.000 0.263 303 T C 1.813 176.497 174.700 -0.027 0.000 1.039 303 T CA 1.327 63.451 62.100 0.039 0.000 1.142 303 T CB -0.349 68.549 68.868 0.049 0.000 0.868 303 T HN 0.409 nan 8.240 nan 0.000 0.435 304 I N -0.499 120.014 120.570 -0.094 0.000 2.163 304 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 304 I C 2.220 178.251 176.117 -0.143 0.000 1.085 304 I CA 1.563 62.748 61.300 -0.192 0.000 1.347 304 I CB -0.295 37.503 38.000 -0.336 0.000 1.044 304 I HN 0.342 nan 8.210 nan 0.000 0.408 305 W N 0.448 121.747 121.300 -0.002 0.000 2.388 305 W HA -0.137 4.523 4.660 -0.000 0.000 0.294 305 W C 2.458 178.989 176.519 0.020 0.000 1.212 305 W CA 0.544 57.901 57.345 0.020 0.000 1.271 305 W CB -0.286 29.168 29.460 -0.009 0.000 1.126 305 W HN 0.127 nan 8.180 nan 0.000 0.535 306 L N 0.669 122.015 121.223 0.204 0.000 2.046 306 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 306 L C 2.500 179.450 176.870 0.133 0.000 1.077 306 L CA 1.735 56.660 54.840 0.141 0.000 0.747 306 L CB -0.315 41.802 42.059 0.097 0.000 0.896 306 L HN -0.111 nan 8.230 nan 0.000 0.432 307 R N -0.415 120.112 120.500 0.045 0.000 2.092 307 R HA -0.204 4.136 4.340 -0.000 0.000 0.231 307 R C 2.208 178.523 176.300 0.024 0.000 1.119 307 R CA 1.445 57.532 56.100 -0.022 0.000 0.970 307 R CB -0.243 29.996 30.300 -0.102 0.000 0.864 307 R HN 0.361 nan 8.270 nan 0.000 0.440 308 E N -0.170 120.067 120.200 0.062 0.000 2.077 308 E HA -0.235 4.114 4.350 -0.000 0.000 0.193 308 E C 1.671 178.374 176.600 0.171 0.000 0.989 308 E CA 1.732 58.186 56.400 0.090 0.000 0.800 308 E CB -0.159 29.605 29.700 0.106 0.000 0.746 308 E HN 0.461 nan 8.360 nan 0.000 0.452 309 H N -0.110 119.065 119.070 0.175 0.000 2.290 309 H HA -0.060 4.496 4.556 -0.000 0.000 0.298 309 H C 1.653 177.065 175.328 0.141 0.000 1.087 309 H CA 2.336 58.502 56.048 0.197 0.000 1.291 309 H CB -0.167 29.738 29.762 0.238 0.000 1.369 309 H HN 0.140 nan 8.280 nan 0.000 0.492 310 N N 0.195 119.014 118.700 0.198 0.000 2.223 310 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 310 N C 2.011 177.523 175.510 0.003 0.000 1.016 310 N CA 1.070 54.179 53.050 0.098 0.000 0.863 310 N CB -0.367 38.151 38.487 0.051 0.000 0.983 310 N HN 0.433 nan 8.380 nan 0.000 0.429 311 R N 0.759 121.257 120.500 -0.002 0.000 2.066 311 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 311 R C 1.669 177.962 176.300 -0.012 0.000 1.131 311 R CA 1.025 57.114 56.100 -0.017 0.000 0.955 311 R CB -0.220 30.069 30.300 -0.019 0.000 0.851 311 R HN -0.027 nan 8.270 nan 0.000 0.432 312 V N 0.443 120.351 119.914 -0.010 0.000 2.407 312 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 312 V C 2.555 178.634 176.094 -0.024 0.000 1.055 312 V CA 1.688 63.985 62.300 -0.005 0.000 1.049 312 V CB -0.482 31.348 31.823 0.011 0.000 0.662 312 V HN 0.542 nan 8.190 nan 0.000 0.455 313 C N 0.051 119.306 119.300 -0.075 0.000 2.413 313 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 313 C C 2.533 177.535 174.990 0.020 0.000 1.248 313 C CA 1.103 60.107 59.018 -0.023 0.000 1.742 313 C CB -1.056 26.678 27.740 -0.010 0.000 2.017 313 C HN 0.606 nan 8.230 nan 0.000 0.481 314 D N 0.671 121.075 120.400 0.006 0.000 2.117 314 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 314 D C 2.104 178.398 176.300 -0.010 0.000 0.987 314 D CA 1.050 55.052 54.000 0.003 0.000 0.829 314 D CB -0.470 40.326 40.800 -0.007 0.000 0.961 314 D HN 0.445 nan 8.370 nan 0.000 0.460 315 L N 0.001 121.217 121.223 -0.011 0.000 2.046 315 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 315 L C 2.317 179.166 176.870 -0.035 0.000 1.077 315 L CA 0.466 55.293 54.840 -0.021 0.000 0.747 315 L CB -0.294 41.762 42.059 -0.005 0.000 0.896 315 L HN 0.086 nan 8.230 nan 0.000 0.432 316 L N 0.168 121.390 121.223 -0.001 0.000 2.046 316 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 316 L C 2.549 179.377 176.870 -0.070 0.000 1.077 316 L CA 1.687 56.531 54.840 0.006 0.000 0.747 316 L CB -0.941 41.178 42.059 0.099 0.000 0.896 316 L HN 0.217 nan 8.230 nan 0.000 0.432 317 K N -0.718 119.666 120.400 -0.026 0.000 2.097 317 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 317 K C 2.005 178.548 176.600 -0.096 0.000 1.049 317 K CA 1.263 57.531 56.287 -0.032 0.000 0.933 317 K CB -0.011 32.502 32.500 0.023 0.000 0.717 317 K HN 0.281 nan 8.250 nan 0.000 0.442 318 A N 0.700 123.460 122.820 -0.101 0.000 1.972 318 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 318 A C 1.909 179.369 177.584 -0.206 0.000 1.169 318 A CA 1.759 53.725 52.037 -0.118 0.000 0.635 318 A CB -0.365 18.581 19.000 -0.090 0.000 0.810 318 A HN 0.404 nan 8.150 nan 0.000 0.446 319 E N -0.651 119.358 120.200 -0.319 0.000 2.122 319 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 319 E C -0.175 175.897 176.600 -0.880 0.000 0.977 319 E CA 0.765 56.817 56.400 -0.580 0.000 0.820 319 E CB -0.000 29.283 29.700 -0.694 0.000 0.770 319 E HN 0.779 nan 8.360 nan 0.000 0.462 320 H N -0.615 118.167 119.070 -0.480 0.000 2.423 320 H HA 0.193 4.749 4.556 -0.000 0.000 0.237 320 H C -1.936 173.173 175.328 -0.365 0.000 1.391 320 H CA -1.671 53.979 56.048 -0.664 0.000 1.453 320 H CB 1.144 29.847 29.762 -1.766 0.000 1.484 320 H HN 0.104 nan 8.280 nan 0.000 0.505 321 P HA -0.178 nan 4.420 nan 0.000 0.222 321 P C 1.413 178.748 177.300 0.059 0.000 1.147 321 P CA 1.263 64.351 63.100 -0.020 0.000 0.790 321 P CB 0.293 31.976 31.700 -0.029 0.000 0.780 322 T N -6.754 107.857 114.554 0.095 0.000 3.088 322 T HA -0.016 4.334 4.350 -0.000 0.000 0.259 322 T C 0.509 175.396 174.700 0.311 0.000 1.122 322 T CA -0.369 61.837 62.100 0.177 0.000 1.095 322 T CB -0.638 68.336 68.868 0.178 0.000 0.930 322 T HN -0.140 nan 8.240 nan 0.000 0.508 323 W N 2.509 123.850 121.300 0.068 0.000 2.181 323 W HA 0.630 5.290 4.660 -0.000 0.000 0.335 323 W C 1.101 177.649 176.519 0.047 0.000 1.310 323 W CA -0.939 56.433 57.345 0.045 0.000 1.226 323 W CB -0.058 29.426 29.460 0.040 0.000 1.155 323 W HN 0.270 nan 8.180 nan 0.000 0.565 324 G N 1.201 110.132 108.800 0.219 0.000 2.547 324 G HA2 0.091 4.051 3.960 -0.000 0.000 0.291 324 G HA3 0.091 4.051 3.960 -0.000 0.000 0.291 324 G C 0.435 175.430 174.900 0.158 0.000 1.211 324 G CA -0.168 45.019 45.100 0.146 0.000 0.950 324 G HN 0.495 nan 8.290 nan 0.000 0.504 325 D N -0.894 119.592 120.400 0.144 0.000 2.133 325 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 325 D C 2.037 178.440 176.300 0.171 0.000 0.997 325 D CA 1.643 55.742 54.000 0.166 0.000 0.840 325 D CB 0.183 41.082 40.800 0.166 0.000 0.947 325 D HN 0.320 nan 8.370 nan 0.000 0.452 326 E N 0.137 120.411 120.200 0.123 0.000 2.038 326 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 326 E C 2.075 178.732 176.600 0.094 0.000 1.000 326 E CA 1.012 57.482 56.400 0.117 0.000 0.803 326 E CB -0.493 29.241 29.700 0.056 0.000 0.750 326 E HN 0.546 nan 8.360 nan 0.000 0.448 327 Q N 0.168 119.940 119.800 -0.046 0.000 2.124 327 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 327 Q C 2.458 178.404 176.000 -0.089 0.000 0.977 327 Q CA 0.854 56.503 55.803 -0.257 0.000 0.850 327 Q CB -0.039 28.284 28.738 -0.691 0.000 0.901 327 Q HN 0.217 nan 8.270 nan 0.000 0.429 328 L N -0.332 120.994 121.223 0.171 0.000 2.017 328 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 328 L C 2.296 179.286 176.870 0.200 0.000 1.073 328 L CA 1.338 56.363 54.840 0.309 0.000 0.745 328 L CB -0.512 41.731 42.059 0.306 0.000 0.894 328 L HN 0.321 nan 8.230 nan 0.000 0.432 329 F N 0.469 120.476 119.950 0.095 0.000 2.075 329 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 329 F C 2.727 178.560 175.800 0.055 0.000 1.113 329 F CA 1.527 59.603 58.000 0.126 0.000 1.218 329 F CB -0.228 38.817 39.000 0.075 0.000 0.984 329 F HN 0.032 nan 8.300 nan 0.000 0.472 330 Q N 0.026 119.809 119.800 -0.028 0.000 2.124 330 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 330 Q C 2.229 178.097 176.000 -0.220 0.000 0.977 330 Q CA 2.195 57.885 55.803 -0.188 0.000 0.850 330 Q CB -1.187 27.516 28.738 -0.059 0.000 0.901 330 Q HN 0.438 nan 8.270 nan 0.000 0.429 331 T N 1.213 115.691 114.554 -0.128 0.000 2.857 331 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 331 T C 1.905 176.614 174.700 0.014 0.000 1.048 331 T CA 1.174 63.246 62.100 -0.046 0.000 1.139 331 T CB -0.195 68.730 68.868 0.095 0.000 0.874 331 T HN 0.393 nan 8.240 nan 0.000 0.455 332 A N 1.925 124.720 122.820 -0.041 0.000 1.902 332 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 332 A C 2.292 179.885 177.584 0.015 0.000 1.181 332 A CA 1.844 53.845 52.037 -0.059 0.000 0.623 332 A CB -0.615 18.165 19.000 -0.367 0.000 0.818 332 A HN 0.430 nan 8.150 nan 0.000 0.443 333 R N -0.286 120.111 120.500 -0.173 0.000 2.083 333 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 333 R C 1.980 178.302 176.300 0.037 0.000 1.137 333 R CA 1.705 57.685 56.100 -0.200 0.000 0.951 333 R CB -0.444 29.392 30.300 -0.774 0.000 0.851 333 R HN 0.521 nan 8.270 nan 0.000 0.434 334 L N 0.354 121.597 121.223 0.033 0.000 2.046 334 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 334 L C 2.493 179.643 176.870 0.467 0.000 1.077 334 L CA 1.285 56.237 54.840 0.187 0.000 0.747 334 L CB -0.376 41.678 42.059 -0.008 0.000 0.896 334 L HN 0.283 nan 8.230 nan 0.000 0.432 335 I N -0.622 120.217 120.570 0.449 0.000 2.179 335 I HA -0.315 3.854 4.170 -0.000 0.000 0.242 335 I C 2.361 178.689 176.117 0.351 0.000 1.088 335 I CA 1.207 62.773 61.300 0.444 0.000 1.357 335 I CB -0.158 38.034 38.000 0.319 0.000 1.051 335 I HN 0.178 nan 8.210 nan 0.000 0.409 336 L N 0.221 121.644 121.223 0.333 0.000 2.131 336 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 336 L C 2.283 179.316 176.870 0.272 0.000 1.092 336 L CA 1.718 56.775 54.840 0.363 0.000 0.759 336 L CB -0.494 41.800 42.059 0.391 0.000 0.903 336 L HN 0.174 nan 8.230 nan 0.000 0.435 337 I N -1.104 119.630 120.570 0.274 0.000 2.179 337 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 337 I C 2.486 178.780 176.117 0.295 0.000 1.088 337 I CA 1.426 62.876 61.300 0.250 0.000 1.357 337 I CB -0.922 37.241 38.000 0.271 0.000 1.051 337 I HN 0.347 nan 8.210 nan 0.000 0.409 338 G N 0.173 109.212 108.800 0.399 0.000 2.418 338 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 338 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 338 G C 1.527 176.616 174.900 0.316 0.000 1.158 338 G CA 0.530 45.885 45.100 0.426 0.000 0.771 338 G HN 0.392 nan 8.290 nan 0.000 0.545 339 E N -0.203 120.186 120.200 0.315 0.000 2.110 339 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 339 E C 2.763 179.582 176.600 0.365 0.000 0.988 339 E CA 1.386 57.988 56.400 0.337 0.000 0.804 339 E CB -0.107 29.843 29.700 0.417 0.000 0.745 339 E HN 0.362 nan 8.360 nan 0.000 0.458 340 T N 1.242 116.002 114.554 0.342 0.000 2.737 340 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 340 T C 1.977 176.759 174.700 0.137 0.000 1.038 340 T CA 0.868 63.149 62.100 0.302 0.000 1.144 340 T CB -0.162 68.784 68.868 0.129 0.000 0.866 340 T HN 0.119 nan 8.240 nan 0.000 0.434 341 I N 0.991 121.562 120.570 0.003 0.000 2.226 341 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 341 I C 2.579 178.401 176.117 -0.492 0.000 1.100 341 I CA 1.217 62.349 61.300 -0.281 0.000 1.374 341 I CB -0.351 37.347 38.000 -0.503 0.000 1.057 341 I HN 0.165 nan 8.210 nan 0.000 0.413 342 K N 1.967 122.133 120.400 -0.391 0.000 2.009 342 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 342 K C 1.852 178.474 176.600 0.038 0.000 1.049 342 K CA 1.898 58.137 56.287 -0.080 0.000 0.929 342 K CB -0.496 32.148 32.500 0.239 0.000 0.714 342 K HN 0.254 nan 8.250 nan 0.000 0.440 343 I N 0.080 120.707 120.570 0.096 0.000 2.315 343 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 343 I C 2.056 178.229 176.117 0.095 0.000 1.117 343 I CA 0.798 62.167 61.300 0.116 0.000 1.404 343 I CB -0.126 37.989 38.000 0.191 0.000 1.071 343 I HN -0.016 nan 8.210 nan 0.000 0.419 344 V N 0.964 120.891 119.914 0.021 0.000 2.427 344 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 344 V C 2.220 178.379 176.094 0.109 0.000 1.051 344 V CA 1.796 64.069 62.300 -0.046 0.000 1.048 344 V CB -0.297 31.329 31.823 -0.329 0.000 0.666 344 V HN 0.329 nan 8.190 nan 0.000 0.456 345 I N -0.422 120.178 120.570 0.051 0.000 2.235 345 I HA -0.137 4.033 4.170 -0.000 0.000 0.241 345 I C 2.408 178.598 176.117 0.121 0.000 1.085 345 I CA 1.385 62.745 61.300 0.100 0.000 1.378 345 I CB -0.283 37.767 38.000 0.084 0.000 1.076 345 I HN 0.306 nan 8.210 nan 0.000 0.415 346 E N 0.192 120.462 120.200 0.117 0.000 2.371 346 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 346 E C 1.451 178.108 176.600 0.095 0.000 1.012 346 E CA 0.679 57.141 56.400 0.103 0.000 0.860 346 E CB 0.279 30.042 29.700 0.105 0.000 0.811 346 E HN 0.557 nan 8.360 nan 0.000 0.502 347 E N -0.811 119.476 120.200 0.146 0.000 2.520 347 E HA -0.012 4.338 4.350 -0.000 0.000 0.201 347 E C 1.422 178.252 176.600 0.383 0.000 0.894 347 E CA -0.135 56.390 56.400 0.208 0.000 1.161 347 E CB -0.068 29.713 29.700 0.135 0.000 1.137 347 E HN 0.075 nan 8.360 nan 0.000 0.510 348 Y N 2.169 122.595 120.300 0.210 0.000 2.070 348 Y HA -0.225 4.325 4.550 -0.000 0.000 0.279 348 Y C 2.180 178.159 175.900 0.131 0.000 1.134 348 Y CA 1.604 59.714 58.100 0.017 0.000 1.113 348 Y CB -0.305 38.036 38.460 -0.198 0.000 0.981 348 Y HN -0.204 nan 8.280 nan 0.000 0.487 349 V N 0.609 120.676 119.914 0.255 0.000 2.515 349 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 349 V C 2.258 178.332 176.094 -0.034 0.000 1.058 349 V CA 1.999 64.369 62.300 0.117 0.000 1.064 349 V CB -0.790 31.143 31.823 0.185 0.000 0.675 349 V HN 0.418 nan 8.190 nan 0.000 0.461 350 Q N 0.509 120.312 119.800 0.004 0.000 2.050 350 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 350 Q C 2.229 178.159 176.000 -0.118 0.000 0.980 350 Q CA 2.338 58.109 55.803 -0.053 0.000 0.840 350 Q CB -0.417 28.325 28.738 0.006 0.000 0.898 350 Q HN 0.648 nan 8.270 nan 0.000 0.424 351 Q N -0.440 119.305 119.800 -0.093 0.000 2.084 351 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 351 Q C 1.848 177.641 176.000 -0.345 0.000 0.978 351 Q CA 1.581 57.271 55.803 -0.188 0.000 0.844 351 Q CB -0.612 28.036 28.738 -0.151 0.000 0.898 351 Q HN 0.466 nan 8.270 nan 0.000 0.426 352 L N 0.225 121.225 121.223 -0.371 0.000 2.017 352 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 352 L C 2.341 178.997 176.870 -0.356 0.000 1.073 352 L CA 2.384 56.971 54.840 -0.422 0.000 0.745 352 L CB -0.993 40.935 42.059 -0.218 0.000 0.894 352 L HN 0.471 nan 8.230 nan 0.000 0.432 353 S N -1.038 114.450 115.700 -0.354 0.000 2.387 353 S HA 0.057 4.527 4.470 -0.000 0.000 0.226 353 S C 1.796 176.140 174.600 -0.426 0.000 1.026 353 S CA 0.788 58.646 58.200 -0.570 0.000 0.972 353 S CB -0.771 61.705 63.200 -1.207 0.000 0.814 353 S HN 0.830 nan 8.310 nan 0.000 0.477 354 G N 0.028 108.641 108.800 -0.311 0.000 2.162 354 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 354 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 354 G C 0.072 174.869 174.900 -0.171 0.000 0.976 354 G CA 0.317 45.298 45.100 -0.199 0.000 0.655 354 G HN 0.674 nan 8.290 nan 0.000 0.533 355 Y N -0.739 119.370 120.300 -0.318 0.000 2.480 355 Y HA 0.283 4.833 4.550 -0.000 0.000 0.338 355 Y C 1.527 177.236 175.900 -0.318 0.000 1.220 355 Y CA -0.869 56.954 58.100 -0.462 0.000 1.430 355 Y CB 0.280 38.509 38.460 -0.385 0.000 1.311 355 Y HN 0.007 nan 8.280 nan 0.000 0.575 356 F N 1.206 120.832 119.950 -0.541 0.000 2.664 356 F HA 0.022 4.549 4.527 -0.000 0.000 0.296 356 F C 0.670 176.144 175.800 -0.543 0.000 1.125 356 F CA -0.260 57.423 58.000 -0.528 0.000 1.444 356 F CB -0.456 38.178 39.000 -0.610 0.000 1.114 356 F HN 0.275 nan 8.300 nan 0.000 0.576 357 L N 1.285 122.111 121.223 -0.662 0.000 2.410 357 L HA 0.103 4.443 4.340 -0.000 0.000 0.273 357 L C 0.504 177.315 176.870 -0.099 0.000 1.152 357 L CA 0.117 54.706 54.840 -0.419 0.000 0.855 357 L CB 0.299 42.013 42.059 -0.576 0.000 1.129 357 L HN 0.107 nan 8.230 nan 0.000 0.463 358 Q N 5.087 124.884 119.800 -0.004 0.000 2.369 358 Q HA 0.267 4.607 4.340 -0.000 0.000 0.247 358 Q C -0.719 175.300 176.000 0.031 0.000 1.083 358 Q CA -0.381 55.432 55.803 0.016 0.000 0.905 358 Q CB 0.309 29.060 28.738 0.022 0.000 1.305 358 Q HN 0.736 nan 8.270 nan 0.000 0.465 359 L N 3.290 124.538 121.223 0.042 0.000 2.499 359 L HA 0.136 4.475 4.340 -0.000 0.000 0.281 359 L C 0.240 177.151 176.870 0.070 0.000 1.234 359 L CA 0.661 55.539 54.840 0.064 0.000 0.839 359 L CB 0.200 42.304 42.059 0.074 0.000 1.104 359 L HN 0.515 nan 8.230 nan 0.000 0.500 360 K N 1.889 122.337 120.400 0.080 0.000 2.482 360 K HA 0.316 4.636 4.320 -0.000 0.000 0.251 360 K C -1.514 175.167 176.600 0.134 0.000 0.936 360 K CA -0.701 55.636 56.287 0.084 0.000 0.791 360 K CB 1.644 34.163 32.500 0.032 0.000 1.213 360 K HN 0.308 nan 8.250 nan 0.000 0.428 361 F N 4.743 124.688 119.950 -0.009 0.000 2.335 361 F HA 0.364 4.891 4.527 -0.000 0.000 0.365 361 F C -1.056 174.695 175.800 -0.082 0.000 1.122 361 F CA -0.848 57.131 58.000 -0.035 0.000 1.151 361 F CB 0.525 39.532 39.000 0.011 0.000 1.282 361 F HN 0.483 nan 8.300 nan 0.000 0.513 362 D N 8.176 128.297 120.400 -0.465 0.000 2.323 362 D HA 0.333 4.973 4.640 -0.000 0.000 0.242 362 D C -2.291 173.607 176.300 -0.670 0.000 1.347 362 D CA -1.975 51.663 54.000 -0.603 0.000 0.988 362 D CB 2.023 42.647 40.800 -0.294 0.000 1.314 362 D HN 0.170 nan 8.370 nan 0.000 0.564 363 P HA -0.132 nan 4.420 nan 0.000 0.217 363 P C 0.801 177.470 177.300 -1.051 0.000 1.148 363 P CA 1.046 63.594 63.100 -0.920 0.000 0.828 363 P CB 0.356 31.238 31.700 -1.364 0.000 0.783 364 E N -0.657 118.871 120.200 -1.120 0.000 2.265 364 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 364 E C 1.791 178.008 176.600 -0.639 0.000 0.996 364 E CA 0.579 56.221 56.400 -1.264 0.000 0.832 364 E CB -0.592 28.780 29.700 -0.547 0.000 0.756 364 E HN 0.326 nan 8.360 nan 0.000 0.491 365 L N 0.327 121.293 121.223 -0.429 0.000 2.261 365 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 365 L C 1.965 178.731 176.870 -0.173 0.000 1.114 365 L CA 0.841 55.545 54.840 -0.227 0.000 0.777 365 L CB -0.120 41.830 42.059 -0.181 0.000 0.910 365 L HN 0.191 nan 8.230 nan 0.000 0.440 366 L N -2.279 118.814 121.223 -0.216 0.000 2.693 366 L HA 0.085 4.425 4.340 -0.000 0.000 0.235 366 L C 1.758 178.756 176.870 0.212 0.000 1.127 366 L CA -0.127 54.670 54.840 -0.071 0.000 0.914 366 L CB -0.061 41.854 42.059 -0.240 0.000 1.193 366 L HN 0.164 nan 8.230 nan 0.000 0.502 367 F N 0.330 120.307 119.950 0.046 0.000 2.583 367 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 367 F C 1.988 177.835 175.800 0.078 0.000 1.131 367 F CA 0.426 58.480 58.000 0.091 0.000 1.467 367 F CB 0.081 39.133 39.000 0.087 0.000 1.097 367 F HN 0.218 nan 8.300 nan 0.000 0.586 368 G N -0.450 108.487 108.800 0.228 0.000 3.159 368 G HA2 0.445 4.405 3.960 -0.000 0.000 0.232 368 G HA3 0.445 4.405 3.960 -0.000 0.000 0.232 368 G C 0.224 175.190 174.900 0.110 0.000 1.116 368 G CA 0.344 45.530 45.100 0.143 0.000 0.767 368 G HN 0.237 nan 8.290 nan 0.000 0.547 369 A N -0.193 122.700 122.820 0.122 0.000 2.288 369 A HA 0.751 5.071 4.320 -0.000 0.000 0.328 369 A C -0.305 177.357 177.584 0.131 0.000 1.123 369 A CA -0.621 51.475 52.037 0.099 0.000 0.861 369 A CB 0.845 19.886 19.000 0.068 0.000 1.272 369 A HN 0.212 nan 8.150 nan 0.000 0.490 370 Q N 0.064 119.930 119.800 0.110 0.000 2.349 370 Q HA 0.523 4.863 4.340 -0.000 0.000 0.254 370 Q C -1.738 174.356 176.000 0.157 0.000 0.980 370 Q CA 0.323 56.190 55.803 0.106 0.000 0.924 370 Q CB 1.066 29.838 28.738 0.056 0.000 1.209 370 Q HN 0.499 nan 8.270 nan 0.000 0.445 371 F N 1.589 121.488 119.950 -0.085 0.000 2.615 371 F HA 0.218 4.745 4.527 -0.000 0.000 0.312 371 F C -1.369 174.239 175.800 -0.320 0.000 1.119 371 F CA -0.816 57.058 58.000 -0.211 0.000 0.979 371 F CB 1.788 40.621 39.000 -0.278 0.000 1.266 371 F HN 0.278 nan 8.300 nan 0.000 0.444 372 Q N 5.280 124.593 119.800 -0.812 0.000 2.274 372 Q HA 0.190 4.530 4.340 -0.000 0.000 0.256 372 Q C -1.252 174.285 176.000 -0.772 0.000 0.927 372 Q CA -0.279 55.184 55.803 -0.567 0.000 0.939 372 Q CB 1.223 29.740 28.738 -0.368 0.000 1.201 372 Q HN 0.705 nan 8.270 nan 0.000 0.426 373 Y N 3.213 123.432 120.300 -0.134 0.000 2.735 373 Y HA 0.142 4.692 4.550 -0.000 0.000 0.354 373 Y C 0.697 176.557 175.900 -0.066 0.000 1.288 373 Y CA -0.311 57.774 58.100 -0.025 0.000 1.836 373 Y CB 0.054 38.554 38.460 0.066 0.000 1.920 373 Y HN 0.357 nan 8.280 nan 0.000 0.438 374 R N 0.228 120.684 120.500 -0.073 0.000 2.710 374 R HA 0.544 4.884 4.340 -0.000 0.000 0.270 374 R C -1.926 174.321 176.300 -0.089 0.000 1.021 374 R CA -0.975 55.095 56.100 -0.051 0.000 0.889 374 R CB 1.933 32.197 30.300 -0.061 0.000 1.243 374 R HN 0.294 nan 8.270 nan 0.000 0.464 375 N N 0.861 119.524 118.700 -0.062 0.000 2.331 375 N HA 0.372 5.112 4.740 -0.000 0.000 0.280 375 N C -1.722 173.743 175.510 -0.074 0.000 1.155 375 N CA -0.713 52.301 53.050 -0.059 0.000 0.822 375 N CB 2.649 41.121 38.487 -0.026 0.000 1.619 375 N HN 0.599 nan 8.380 nan 0.000 0.476 376 R N 3.208 123.665 120.500 -0.071 0.000 2.514 376 R HA 0.422 4.762 4.340 -0.000 0.000 0.296 376 R C -0.746 175.623 176.300 0.114 0.000 1.012 376 R CA -0.546 55.467 56.100 -0.145 0.000 0.897 376 R CB 0.537 30.686 30.300 -0.252 0.000 1.184 376 R HN 0.461 nan 8.270 nan 0.000 0.440 377 I N 3.566 124.408 120.570 0.453 0.000 2.598 377 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 377 I C 0.637 176.986 176.117 0.386 0.000 1.140 377 I CA 0.128 61.685 61.300 0.429 0.000 1.420 377 I CB 0.400 38.710 38.000 0.516 0.000 1.387 377 I HN 0.718 nan 8.210 nan 0.000 0.553 378 A N 7.286 130.222 122.820 0.194 0.000 2.310 378 A HA 0.463 4.783 4.320 -0.000 0.000 0.299 378 A C 1.229 178.745 177.584 -0.113 0.000 1.147 378 A CA -0.689 51.373 52.037 0.042 0.000 0.818 378 A CB 0.789 19.732 19.000 -0.095 0.000 1.096 378 A HN 0.838 nan 8.150 nan 0.000 0.495 379 M N 0.496 120.002 119.600 -0.156 0.000 2.213 379 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 379 M C 0.968 177.073 176.300 -0.324 0.000 1.062 379 M CA 2.251 57.339 55.300 -0.354 0.000 1.105 379 M CB -0.768 31.714 32.600 -0.197 0.000 1.385 379 M HN 0.725 nan 8.290 nan 0.000 0.417 380 E N 0.854 120.883 120.200 -0.285 0.000 2.150 380 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 380 E C 1.706 178.204 176.600 -0.170 0.000 0.985 380 E CA 1.258 57.438 56.400 -0.366 0.000 0.814 380 E CB -0.412 28.996 29.700 -0.487 0.000 0.752 380 E HN 0.534 nan 8.360 nan 0.000 0.466 381 F N 2.024 121.592 119.950 -0.636 0.000 2.186 381 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 381 F C 1.897 177.562 175.800 -0.226 0.000 1.090 381 F CA 1.185 58.864 58.000 -0.535 0.000 1.307 381 F CB -0.395 38.160 39.000 -0.742 0.000 1.019 381 F HN 0.019 nan 8.300 nan 0.000 0.489 382 N N 0.336 118.724 118.700 -0.520 0.000 2.084 382 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 382 N C 1.785 176.969 175.510 -0.543 0.000 1.030 382 N CA 1.518 53.830 53.050 -1.230 0.000 0.849 382 N CB -0.268 37.595 38.487 -1.040 0.000 1.012 382 N HN 0.422 nan 8.380 nan 0.000 0.423 383 Q N 0.804 120.456 119.800 -0.247 0.000 2.061 383 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 383 Q C 2.307 178.403 176.000 0.160 0.000 0.984 383 Q CA 0.985 56.738 55.803 -0.083 0.000 0.846 383 Q CB -0.464 28.339 28.738 0.108 0.000 0.902 383 Q HN 0.473 nan 8.270 nan 0.000 0.421 384 L N -0.674 120.688 121.223 0.232 0.000 2.191 384 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 384 L C 1.672 178.653 176.870 0.185 0.000 1.103 384 L CA 1.159 56.145 54.840 0.243 0.000 0.769 384 L CB -0.174 42.044 42.059 0.265 0.000 0.908 384 L HN 0.158 nan 8.230 nan 0.000 0.438 385 Y N -0.952 119.253 120.300 -0.158 0.000 2.471 385 Y HA 0.012 4.562 4.550 -0.000 0.000 0.286 385 Y C 0.171 175.783 175.900 -0.479 0.000 1.188 385 Y CA -0.520 57.225 58.100 -0.591 0.000 1.286 385 Y CB 0.026 38.111 38.460 -0.625 0.000 1.072 385 Y HN 0.242 nan 8.280 nan 0.000 0.517 386 H N -0.426 118.693 119.070 0.081 0.000 3.118 386 H HA -0.024 4.532 4.556 -0.000 0.000 0.266 386 H C -0.616 175.044 175.328 0.554 0.000 1.465 386 H CA -0.233 55.977 56.048 0.269 0.000 1.460 386 H CB -0.487 29.442 29.762 0.278 0.000 1.661 386 H HN 0.262 nan 8.280 nan 0.000 0.516 387 W N 2.162 123.564 121.300 0.170 0.000 2.960 387 W HA 0.120 4.780 4.660 -0.000 0.000 0.442 387 W C 0.437 176.986 176.519 0.049 0.000 0.774 387 W CA -0.819 56.628 57.345 0.171 0.000 2.207 387 W CB -1.056 28.542 29.460 0.231 0.000 1.159 387 W HN 0.762 nan 8.180 nan 0.000 0.845 388 H N 0.376 119.687 119.070 0.402 0.000 2.457 388 H HA -0.130 4.426 4.556 -0.000 0.000 0.297 388 H C -0.562 174.905 175.328 0.232 0.000 1.092 388 H CA 1.651 57.867 56.048 0.281 0.000 1.309 388 H CB -1.456 28.445 29.762 0.233 0.000 1.382 388 H HN 0.049 nan 8.280 nan 0.000 0.535 389 P HA -0.135 nan 4.420 nan 0.000 0.223 389 P C 1.053 178.449 177.300 0.160 0.000 1.144 389 P CA 1.016 64.225 63.100 0.183 0.000 0.783 389 P CB -0.016 31.745 31.700 0.102 0.000 0.771 390 L N -2.665 118.658 121.223 0.167 0.000 2.131 390 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 390 L C 1.273 178.224 176.870 0.135 0.000 1.092 390 L CA 0.644 55.567 54.840 0.139 0.000 0.759 390 L CB -0.705 41.458 42.059 0.173 0.000 0.903 390 L HN 0.074 nan 8.230 nan 0.000 0.435 391 M N 1.130 120.823 119.600 0.154 0.000 2.239 391 M HA 0.134 4.614 4.480 -0.000 0.000 0.348 391 M C -1.882 174.472 176.300 0.091 0.000 1.239 391 M CA -2.082 53.293 55.300 0.124 0.000 1.114 391 M CB -0.209 32.567 32.600 0.292 0.000 1.641 391 M HN -0.157 nan 8.290 nan 0.000 0.453 392 P HA 0.167 nan 4.420 nan 0.000 0.289 392 P C -0.216 176.900 177.300 -0.308 0.000 1.299 392 P CA -0.174 62.661 63.100 -0.440 0.000 0.766 392 P CB 0.901 32.172 31.700 -0.715 0.000 1.226 393 D N -1.536 118.631 120.400 -0.388 0.000 2.194 393 D HA 0.006 4.646 4.640 -0.000 0.000 0.204 393 D C 0.839 177.082 176.300 -0.094 0.000 0.964 393 D CA 1.238 55.182 54.000 -0.093 0.000 0.846 393 D CB 0.043 40.775 40.800 -0.114 0.000 0.962 393 D HN 0.489 nan 8.370 nan 0.000 0.490 394 S N -1.232 114.195 115.700 -0.454 0.000 2.615 394 S HA 0.589 5.059 4.470 -0.000 0.000 0.269 394 S C -1.398 172.702 174.600 -0.833 0.000 1.161 394 S CA -1.024 56.888 58.200 -0.481 0.000 0.817 394 S CB 0.880 63.992 63.200 -0.148 0.000 1.131 394 S HN -0.112 nan 8.310 nan 0.000 0.467 395 F N 1.043 120.819 119.950 -0.291 0.000 2.375 395 F HA 0.602 5.129 4.527 -0.000 0.000 0.361 395 F C 0.577 176.327 175.800 -0.084 0.000 1.117 395 F CA -0.674 57.159 58.000 -0.279 0.000 1.037 395 F CB 1.482 40.081 39.000 -0.668 0.000 1.192 395 F HN 0.653 nan 8.300 nan 0.000 0.452 396 R N 2.635 123.158 120.500 0.038 0.000 2.234 396 R HA 0.639 4.979 4.340 -0.000 0.000 0.324 396 R C -1.540 174.778 176.300 0.029 0.000 1.054 396 R CA -0.241 55.865 56.100 0.010 0.000 0.912 396 R CB 0.798 31.071 30.300 -0.044 0.000 1.030 396 R HN 0.554 nan 8.270 nan 0.000 0.455 397 V N 6.347 126.261 119.914 -0.001 0.000 2.276 397 V HA 0.412 4.532 4.120 -0.000 0.000 0.268 397 V C 0.906 176.948 176.094 -0.087 0.000 1.032 397 V CA 0.279 62.508 62.300 -0.118 0.000 0.810 397 V CB 0.332 31.996 31.823 -0.265 0.000 1.060 397 V HN 1.180 nan 8.190 nan 0.000 0.446 398 G N 6.729 115.492 108.800 -0.061 0.000 2.531 398 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.274 398 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.274 398 G C -0.824 174.062 174.900 -0.023 0.000 1.159 398 G CA 0.342 45.431 45.100 -0.019 0.000 0.969 398 G HN 0.536 nan 8.290 nan 0.000 0.554 399 P HA 0.124 nan 4.420 nan 0.000 0.227 399 P C 0.463 177.724 177.300 -0.065 0.000 1.161 399 P CA 0.829 63.913 63.100 -0.026 0.000 0.788 399 P CB 0.194 31.891 31.700 -0.006 0.000 0.822 400 Q N 1.331 121.078 119.800 -0.087 0.000 2.286 400 Q HA 0.197 4.537 4.340 -0.000 0.000 0.257 400 Q C -0.626 175.160 176.000 -0.356 0.000 0.941 400 Q CA 0.381 56.034 55.803 -0.250 0.000 0.912 400 Q CB 0.860 29.416 28.738 -0.305 0.000 1.192 400 Q HN 0.086 nan 8.270 nan 0.000 0.410 401 D N 1.752 121.928 120.400 -0.374 0.000 2.217 401 D HA 0.310 4.950 4.640 -0.000 0.000 0.243 401 D C -1.486 174.603 176.300 -0.352 0.000 1.054 401 D CA -0.291 53.554 54.000 -0.258 0.000 0.838 401 D CB 0.549 41.268 40.800 -0.134 0.000 1.162 401 D HN 0.220 nan 8.370 nan 0.000 0.472 402 Y N 1.493 121.833 120.300 0.068 0.000 2.364 402 Y HA 0.324 4.874 4.550 -0.000 0.000 0.340 402 Y C 0.832 176.816 175.900 0.141 0.000 0.975 402 Y CA -0.908 57.265 58.100 0.121 0.000 1.089 402 Y CB 1.754 40.311 38.460 0.162 0.000 1.192 402 Y HN 0.361 nan 8.280 nan 0.000 0.454 403 S N 1.163 117.052 115.700 0.315 0.000 2.655 403 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 403 S C 0.703 175.480 174.600 0.296 0.000 1.240 403 S CA -0.383 57.978 58.200 0.268 0.000 0.986 403 S CB 0.408 63.758 63.200 0.250 0.000 0.985 403 S HN 0.659 nan 8.310 nan 0.000 0.562 404 Y N 1.426 121.805 120.300 0.132 0.000 2.224 404 Y HA -0.112 4.438 4.550 -0.000 0.000 0.289 404 Y C 2.723 178.695 175.900 0.119 0.000 1.146 404 Y CA 1.873 60.024 58.100 0.086 0.000 1.182 404 Y CB -0.197 37.975 38.460 -0.479 0.000 0.983 404 Y HN 0.727 nan 8.280 nan 0.000 0.524 405 E N 0.004 120.363 120.200 0.265 0.000 2.274 405 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 405 E C 1.372 178.097 176.600 0.208 0.000 0.996 405 E CA 1.044 57.586 56.400 0.235 0.000 0.840 405 E CB -0.481 29.355 29.700 0.227 0.000 0.772 405 E HN 0.623 nan 8.360 nan 0.000 0.491 406 Q N -1.024 118.917 119.800 0.234 0.000 2.408 406 Q HA 0.121 4.461 4.340 -0.000 0.000 0.205 406 Q C 1.188 177.279 176.000 0.151 0.000 0.919 406 Q CA 0.194 56.125 55.803 0.213 0.000 0.932 406 Q CB 0.135 29.077 28.738 0.340 0.000 1.058 406 Q HN 0.170 nan 8.270 nan 0.000 0.517 407 F N 0.523 120.438 119.950 -0.059 0.000 2.298 407 F HA 0.140 4.667 4.527 -0.000 0.000 0.282 407 F C 0.255 175.921 175.800 -0.222 0.000 1.045 407 F CA -0.233 57.613 58.000 -0.257 0.000 1.280 407 F CB 0.200 38.862 39.000 -0.564 0.000 1.114 407 F HN -0.114 nan 8.300 nan 0.000 0.546 408 L N 1.681 122.868 121.223 -0.060 0.000 2.540 408 L HA -0.023 4.317 4.340 -0.000 0.000 0.276 408 L C 0.086 176.943 176.870 -0.021 0.000 1.212 408 L CA 0.859 55.622 54.840 -0.128 0.000 0.893 408 L CB -1.074 41.048 42.059 0.105 0.000 1.138 408 L HN 0.366 nan 8.230 nan 0.000 0.491 409 F N 0.316 120.191 119.950 -0.124 0.000 3.069 409 F HA -0.313 4.214 4.527 -0.000 0.000 0.285 409 F C 1.066 176.839 175.800 -0.045 0.000 0.827 409 F CA 0.477 58.451 58.000 -0.044 0.000 1.108 409 F CB -0.910 38.112 39.000 0.036 0.000 1.252 409 F HN 0.718 nan 8.300 nan 0.000 0.483 410 N N 1.339 120.015 118.700 -0.039 0.000 2.401 410 N HA 0.094 4.834 4.740 -0.000 0.000 0.255 410 N C 0.992 176.467 175.510 -0.059 0.000 1.110 410 N CA 0.932 53.950 53.050 -0.053 0.000 0.949 410 N CB 1.053 39.451 38.487 -0.148 0.000 1.110 410 N HN 0.250 nan 8.380 nan 0.000 0.490 411 T N -0.592 113.962 114.554 0.000 0.000 3.188 411 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 411 T C 1.177 175.834 174.700 -0.072 0.000 1.077 411 T CA 0.309 62.401 62.100 -0.013 0.000 0.967 411 T CB -0.226 68.639 68.868 -0.006 0.000 1.006 411 T HN 0.410 nan 8.240 nan 0.000 0.552 412 S N -0.525 115.125 115.700 -0.084 0.000 2.649 412 S HA 0.271 4.741 4.470 -0.000 0.000 0.246 412 S C 1.653 176.193 174.600 -0.100 0.000 1.057 412 S CA -0.278 57.861 58.200 -0.101 0.000 1.051 412 S CB -0.246 62.904 63.200 -0.082 0.000 1.018 412 S HN 0.320 nan 8.310 nan 0.000 0.569 413 M N 1.210 120.757 119.600 -0.089 0.000 2.080 413 M HA -0.012 4.468 4.480 -0.000 0.000 0.260 413 M C 2.009 178.333 176.300 0.039 0.000 1.068 413 M CA 1.729 57.016 55.300 -0.022 0.000 1.109 413 M CB -0.289 32.256 32.600 -0.091 0.000 1.342 413 M HN 0.460 nan 8.290 nan 0.000 0.405 414 L N 0.101 121.296 121.223 -0.047 0.000 2.012 414 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 414 L C 2.061 178.900 176.870 -0.052 0.000 1.073 414 L CA 1.718 56.545 54.840 -0.023 0.000 0.748 414 L CB -0.778 41.247 42.059 -0.056 0.000 0.891 414 L HN 0.193 nan 8.230 nan 0.000 0.431 415 V N -0.125 119.654 119.914 -0.225 0.000 2.427 415 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 415 V C 2.276 178.291 176.094 -0.132 0.000 1.051 415 V CA 1.732 63.830 62.300 -0.336 0.000 1.048 415 V CB -0.829 30.731 31.823 -0.439 0.000 0.666 415 V HN 0.453 nan 8.190 nan 0.000 0.456 416 D N -0.632 119.695 120.400 -0.121 0.000 2.097 416 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 416 D C 2.017 178.184 176.300 -0.221 0.000 0.989 416 D CA 1.818 55.707 54.000 -0.185 0.000 0.827 416 D CB -0.205 40.440 40.800 -0.258 0.000 0.966 416 D HN 0.569 nan 8.370 nan 0.000 0.456 417 Y N 0.079 120.363 120.300 -0.026 0.000 2.397 417 Y HA 0.273 4.823 4.550 -0.000 0.000 0.292 417 Y C 1.588 177.491 175.900 0.006 0.000 1.115 417 Y CA 0.627 58.721 58.100 -0.011 0.000 1.208 417 Y CB 0.342 38.785 38.460 -0.029 0.000 1.046 417 Y HN 0.017 nan 8.280 nan 0.000 0.552 418 G N -0.340 108.569 108.800 0.182 0.000 2.730 418 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 418 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 418 G C 0.426 175.394 174.900 0.113 0.000 1.343 418 G CA -0.477 44.733 45.100 0.182 0.000 0.826 418 G HN -0.002 nan 8.290 nan 0.000 0.582 419 V N 1.035 120.990 119.914 0.068 0.000 2.255 419 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 419 V C 2.747 178.805 176.094 -0.060 0.000 1.051 419 V CA 3.198 65.486 62.300 -0.020 0.000 1.018 419 V CB -0.899 30.876 31.823 -0.080 0.000 0.641 419 V HN 0.857 nan 8.190 nan 0.000 0.445 420 E N 0.874 121.046 120.200 -0.047 0.000 2.070 420 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 420 E C 2.239 178.808 176.600 -0.052 0.000 1.004 420 E CA 1.706 58.076 56.400 -0.050 0.000 0.805 420 E CB -0.674 29.008 29.700 -0.030 0.000 0.744 420 E HN 0.594 nan 8.360 nan 0.000 0.451 421 A N 0.695 123.500 122.820 -0.025 0.000 1.902 421 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 421 A C 2.227 179.700 177.584 -0.185 0.000 1.181 421 A CA 1.258 53.272 52.037 -0.038 0.000 0.623 421 A CB -0.652 18.401 19.000 0.090 0.000 0.818 421 A HN 0.184 nan 8.150 nan 0.000 0.443 422 L N -0.691 120.382 121.223 -0.250 0.000 2.072 422 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 422 L C 2.530 179.050 176.870 -0.584 0.000 1.079 422 L CA 0.884 55.373 54.840 -0.586 0.000 0.752 422 L CB -0.579 41.195 42.059 -0.475 0.000 0.906 422 L HN 0.241 nan 8.230 nan 0.000 0.436 423 V N 0.185 119.958 119.914 -0.234 0.000 2.295 423 V HA -0.347 3.773 4.120 -0.000 0.000 0.246 423 V C 2.138 178.218 176.094 -0.024 0.000 1.049 423 V CA 2.277 64.531 62.300 -0.077 0.000 1.024 423 V CB -0.471 31.302 31.823 -0.082 0.000 0.648 423 V HN 0.480 nan 8.190 nan 0.000 0.447 424 D N -0.133 120.238 120.400 -0.049 0.000 2.104 424 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 424 D C 2.141 178.463 176.300 0.035 0.000 0.994 424 D CA 1.564 55.585 54.000 0.035 0.000 0.830 424 D CB -0.178 40.631 40.800 0.016 0.000 0.959 424 D HN 0.386 nan 8.370 nan 0.000 0.452 425 A N -0.357 122.397 122.820 -0.109 0.000 1.877 425 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 425 A C 1.956 179.587 177.584 0.079 0.000 1.186 425 A CA 1.199 53.172 52.037 -0.108 0.000 0.620 425 A CB -1.048 17.768 19.000 -0.306 0.000 0.822 425 A HN 0.312 nan 8.150 nan 0.000 0.443 426 F N 0.762 120.800 119.950 0.147 0.000 2.234 426 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 426 F C 2.682 178.612 175.800 0.216 0.000 1.087 426 F CA 0.932 59.063 58.000 0.218 0.000 1.340 426 F CB -1.050 38.151 39.000 0.335 0.000 1.031 426 F HN 0.121 nan 8.300 nan 0.000 0.500 427 S N -0.471 115.456 115.700 0.379 0.000 2.453 427 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 427 S C 1.995 176.821 174.600 0.378 0.000 1.005 427 S CA 0.651 59.069 58.200 0.363 0.000 0.949 427 S CB -0.140 63.222 63.200 0.270 0.000 0.774 427 S HN 0.358 nan 8.310 nan 0.000 0.510 428 R N 0.505 121.165 120.500 0.267 0.000 2.189 428 R HA 0.187 4.527 4.340 -0.000 0.000 0.203 428 R C 1.047 177.406 176.300 0.099 0.000 1.012 428 R CA 0.199 56.381 56.100 0.137 0.000 1.015 428 R CB 0.165 30.497 30.300 0.054 0.000 0.938 428 R HN 0.345 nan 8.270 nan 0.000 0.472 429 Q N 2.234 122.116 119.800 0.136 0.000 2.267 429 Q HA 0.206 4.546 4.340 -0.000 0.000 0.255 429 Q C -2.309 173.745 176.000 0.091 0.000 0.923 429 Q CA -2.416 53.437 55.803 0.083 0.000 0.925 429 Q CB 1.320 30.101 28.738 0.071 0.000 1.195 429 Q HN -0.071 nan 8.270 nan 0.000 0.417 430 P HA 0.093 nan 4.420 nan 0.000 0.275 430 P C -1.340 176.058 177.300 0.162 0.000 1.228 430 P CA -0.056 63.115 63.100 0.117 0.000 0.786 430 P CB 1.143 32.930 31.700 0.144 0.000 0.927 431 A N 2.786 125.689 122.820 0.138 0.000 2.264 431 A HA 0.684 5.004 4.320 -0.000 0.000 0.304 431 A C 0.657 178.358 177.584 0.195 0.000 1.100 431 A CA -0.340 51.784 52.037 0.146 0.000 0.839 431 A CB 0.106 19.153 19.000 0.078 0.000 1.121 431 A HN 0.580 nan 8.150 nan 0.000 0.496 432 G N -0.430 108.497 108.800 0.212 0.000 2.507 432 G HA2 0.467 4.427 3.960 -0.000 0.000 0.271 432 G HA3 0.467 4.427 3.960 -0.000 0.000 0.271 432 G C 0.176 174.984 174.900 -0.154 0.000 1.189 432 G CA -0.623 44.455 45.100 -0.036 0.000 0.859 432 G HN 0.888 nan 8.290 nan 0.000 0.542 433 R N 0.824 121.166 120.500 -0.264 0.000 2.590 433 R HA 0.183 4.523 4.340 -0.000 0.000 0.274 433 R C 0.881 177.071 176.300 -0.183 0.000 1.061 433 R CA -0.327 55.626 56.100 -0.246 0.000 1.081 433 R CB 0.348 30.501 30.300 -0.245 0.000 0.984 433 R HN 0.524 nan 8.270 nan 0.000 0.448 434 I N 2.156 122.594 120.570 -0.220 0.000 2.385 434 I HA 0.059 4.229 4.170 -0.000 0.000 0.244 434 I C 1.468 177.532 176.117 -0.088 0.000 1.089 434 I CA 0.802 62.013 61.300 -0.149 0.000 1.410 434 I CB -0.277 37.567 38.000 -0.261 0.000 1.117 434 I HN 0.709 nan 8.210 nan 0.000 0.429 435 G N -0.888 107.867 108.800 -0.075 0.000 2.547 435 G HA2 0.429 4.389 3.960 -0.000 0.000 0.291 435 G HA3 0.429 4.389 3.960 -0.000 0.000 0.291 435 G C 0.801 175.643 174.900 -0.096 0.000 1.211 435 G CA 0.271 45.331 45.100 -0.066 0.000 0.950 435 G HN 0.510 nan 8.290 nan 0.000 0.504 436 G N -1.753 106.985 108.800 -0.104 0.000 2.279 436 G HA2 0.364 4.324 3.960 -0.000 0.000 0.223 436 G HA3 0.364 4.324 3.960 -0.000 0.000 0.223 436 G C 1.234 176.085 174.900 -0.081 0.000 1.015 436 G CA 0.823 45.867 45.100 -0.094 0.000 0.621 436 G HN 2.866 nan 8.290 nan 0.000 0.506 437 G N -0.546 108.207 108.800 -0.079 0.000 2.707 437 G HA2 0.349 4.309 3.960 -0.000 0.000 0.686 437 G HA3 0.349 4.309 3.960 -0.000 0.000 0.686 437 G C 0.195 175.078 174.900 -0.027 0.000 1.315 437 G CA 0.362 45.434 45.100 -0.046 0.000 0.832 437 G HN 1.696 nan 8.290 nan 0.000 0.573 438 R N -0.995 119.503 120.500 -0.003 0.000 3.251 438 R HA -0.222 4.118 4.340 -0.000 0.000 0.249 438 R C 0.423 176.720 176.300 -0.006 0.000 0.949 438 R CA 1.096 57.191 56.100 -0.008 0.000 0.645 438 R CB -1.224 29.062 30.300 -0.022 0.000 1.065 438 R HN 0.769 nan 8.270 nan 0.000 0.452 439 N N 0.138 118.844 118.700 0.010 0.000 2.301 439 N HA 0.252 4.992 4.740 -0.000 0.000 0.247 439 N C -0.912 174.647 175.510 0.082 0.000 1.347 439 N CA -0.201 52.863 53.050 0.023 0.000 0.844 439 N CB 0.845 39.310 38.487 -0.037 0.000 1.332 439 N HN 0.277 nan 8.380 nan 0.000 0.494 440 I N 0.867 121.491 120.570 0.091 0.000 2.321 440 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 440 I C 0.061 176.242 176.117 0.106 0.000 0.998 440 I CA -0.900 60.475 61.300 0.126 0.000 1.227 440 I CB 1.154 39.229 38.000 0.124 0.000 1.368 440 I HN 0.122 nan 8.210 nan 0.000 0.466 441 D N 4.227 124.694 120.400 0.113 0.000 2.488 441 D HA -0.111 4.529 4.640 -0.000 0.000 0.238 441 D C 1.540 177.812 176.300 -0.047 0.000 1.138 441 D CA 0.346 54.368 54.000 0.037 0.000 0.873 441 D CB 0.707 41.505 40.800 -0.004 0.000 1.183 441 D HN 0.627 nan 8.370 nan 0.000 0.458 442 H N 2.249 121.296 119.070 -0.038 0.000 2.460 442 H HA -0.184 4.372 4.556 -0.000 0.000 0.297 442 H C 1.239 176.494 175.328 -0.121 0.000 1.103 442 H CA 1.666 57.659 56.048 -0.091 0.000 1.292 442 H CB -0.233 29.445 29.762 -0.141 0.000 1.376 442 H HN 0.554 nan 8.280 nan 0.000 0.531 443 H N 0.596 119.274 119.070 -0.653 0.000 2.456 443 H HA -0.020 4.536 4.556 -0.000 0.000 0.296 443 H C 1.618 176.892 175.328 -0.089 0.000 1.079 443 H CA 1.714 57.501 56.048 -0.434 0.000 1.322 443 H CB 0.315 29.519 29.762 -0.930 0.000 1.388 443 H HN 0.721 nan 8.280 nan 0.000 0.538 444 I N -2.515 118.056 120.570 0.002 0.000 4.102 444 I HA 0.067 4.237 4.170 -0.000 0.000 0.325 444 I C 1.532 177.538 176.117 -0.185 0.000 1.471 444 I CA -0.099 61.168 61.300 -0.055 0.000 1.133 444 I CB 0.105 38.139 38.000 0.056 0.000 1.184 444 I HN -0.113 nan 8.210 nan 0.000 0.451 445 L N 2.645 123.846 121.223 -0.035 0.000 2.127 445 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 445 L C 2.542 179.383 176.870 -0.048 0.000 1.089 445 L CA 2.613 57.443 54.840 -0.016 0.000 0.757 445 L CB -0.895 41.193 42.059 0.049 0.000 0.899 445 L HN 0.654 nan 8.230 nan 0.000 0.434 446 H N -3.301 115.774 119.070 0.008 0.000 2.489 446 H HA -0.089 4.467 4.556 -0.000 0.000 0.295 446 H C 1.774 177.087 175.328 -0.025 0.000 1.082 446 H CA 1.432 57.482 56.048 0.004 0.000 1.295 446 H CB -1.052 28.722 29.762 0.020 0.000 1.380 446 H HN 0.204 nan 8.280 nan 0.000 0.548 447 V N 1.074 120.656 119.914 -0.554 0.000 2.323 447 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 447 V C 2.873 178.808 176.094 -0.264 0.000 1.041 447 V CA 1.562 63.616 62.300 -0.411 0.000 1.025 447 V CB -1.171 30.264 31.823 -0.645 0.000 0.656 447 V HN 0.761 nan 8.190 nan 0.000 0.451 448 A N -0.047 122.649 122.820 -0.207 0.000 1.940 448 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 448 A C 2.403 179.970 177.584 -0.029 0.000 1.176 448 A CA 2.096 54.103 52.037 -0.050 0.000 0.631 448 A CB -0.706 18.372 19.000 0.131 0.000 0.814 448 A HN 0.331 nan 8.150 nan 0.000 0.446 449 V N 0.749 120.660 119.914 -0.006 0.000 2.287 449 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 449 V C 2.134 178.227 176.094 -0.003 0.000 1.053 449 V CA 2.349 64.667 62.300 0.028 0.000 1.027 449 V CB -0.772 31.085 31.823 0.058 0.000 0.646 449 V HN 0.530 nan 8.190 nan 0.000 0.447 450 D N -0.210 120.175 120.400 -0.025 0.000 2.178 450 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 450 D C 2.154 178.386 176.300 -0.114 0.000 0.974 450 D CA 1.036 55.015 54.000 -0.035 0.000 0.841 450 D CB -0.119 40.681 40.800 -0.001 0.000 0.953 450 D HN 0.336 nan 8.370 nan 0.000 0.478 451 V N 1.333 121.105 119.914 -0.237 0.000 2.343 451 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 451 V C 2.504 178.441 176.094 -0.261 0.000 1.051 451 V CA 1.043 63.084 62.300 -0.432 0.000 1.036 451 V CB -0.264 30.994 31.823 -0.940 0.000 0.654 451 V HN 0.179 nan 8.190 nan 0.000 0.451 452 I N -0.523 119.978 120.570 -0.115 0.000 2.252 452 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 452 I C 2.515 178.646 176.117 0.024 0.000 1.102 452 I CA 1.559 62.874 61.300 0.025 0.000 1.385 452 I CB -0.407 37.657 38.000 0.106 0.000 1.064 452 I HN 0.256 nan 8.210 nan 0.000 0.414 453 K N 0.754 121.157 120.400 0.005 0.000 2.057 453 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 453 K C 1.993 178.596 176.600 0.006 0.000 1.050 453 K CA 1.414 57.712 56.287 0.018 0.000 0.935 453 K CB -0.112 32.398 32.500 0.018 0.000 0.715 453 K HN 0.357 nan 8.250 nan 0.000 0.439 454 E N 0.437 120.619 120.200 -0.029 0.000 2.077 454 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 454 E C 2.075 178.663 176.600 -0.020 0.000 0.989 454 E CA 1.187 57.568 56.400 -0.033 0.000 0.800 454 E CB -0.094 29.557 29.700 -0.082 0.000 0.746 454 E HN 0.134 nan 8.360 nan 0.000 0.452 455 S N 0.470 116.157 115.700 -0.022 0.000 2.387 455 S HA -0.204 4.266 4.470 -0.000 0.000 0.230 455 S C 1.902 176.536 174.600 0.056 0.000 1.035 455 S CA 1.350 59.563 58.200 0.022 0.000 1.014 455 S CB -0.042 63.201 63.200 0.073 0.000 0.836 455 S HN 0.155 nan 8.310 nan 0.000 0.466 456 R N -0.154 120.382 120.500 0.061 0.000 2.119 456 R HA 0.089 4.429 4.340 -0.000 0.000 0.222 456 R C 2.216 178.549 176.300 0.056 0.000 1.088 456 R CA 1.185 57.328 56.100 0.071 0.000 0.984 456 R CB -0.330 30.014 30.300 0.073 0.000 0.884 456 R HN 0.311 nan 8.270 nan 0.000 0.447 457 V N 0.859 120.798 119.914 0.043 0.000 2.548 457 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 457 V C 1.715 177.834 176.094 0.042 0.000 1.055 457 V CA 1.248 63.574 62.300 0.042 0.000 1.065 457 V CB -0.213 31.633 31.823 0.039 0.000 0.681 457 V HN 0.189 nan 8.190 nan 0.000 0.462 458 L N -0.357 120.886 121.223 0.034 0.000 2.478 458 L HA 0.172 4.512 4.340 -0.000 0.000 0.223 458 L C 1.266 178.160 176.870 0.040 0.000 1.140 458 L CA 0.816 55.673 54.840 0.028 0.000 0.842 458 L CB -1.156 40.906 42.059 0.004 0.000 0.953 458 L HN 0.379 nan 8.230 nan 0.000 0.452 459 R N -0.719 119.814 120.500 0.055 0.000 3.264 459 R HA -0.202 4.138 4.340 -0.000 0.000 0.251 459 R C -0.391 175.961 176.300 0.087 0.000 0.971 459 R CA -0.097 56.046 56.100 0.072 0.000 0.658 459 R CB -2.037 28.299 30.300 0.060 0.000 1.095 459 R HN 0.044 nan 8.270 nan 0.000 0.443 460 L N 1.460 122.744 121.223 0.101 0.000 2.456 460 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 460 L C 1.428 178.416 176.870 0.196 0.000 1.189 460 L CA 0.804 55.731 54.840 0.144 0.000 0.846 460 L CB 0.637 42.761 42.059 0.108 0.000 1.111 460 L HN 0.206 nan 8.230 nan 0.000 0.475 461 Q N 4.751 124.668 119.800 0.195 0.000 2.535 461 Q HA 0.167 4.507 4.340 -0.000 0.000 0.228 461 Q C -2.010 174.107 176.000 0.195 0.000 1.062 461 Q CA -1.404 54.430 55.803 0.053 0.000 0.967 461 Q CB 0.157 28.702 28.738 -0.321 0.000 1.273 461 Q HN 0.440 nan 8.270 nan 0.000 0.554 462 P HA -0.097 nan 4.420 nan 0.000 0.272 462 P C 0.051 177.544 177.300 0.322 0.000 1.223 462 P CA 0.069 63.286 63.100 0.195 0.000 0.784 462 P CB 0.419 32.185 31.700 0.109 0.000 0.923 463 F N 2.883 122.965 119.950 0.220 0.000 2.087 463 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 463 F C 1.842 177.764 175.800 0.204 0.000 1.100 463 F CA 2.064 60.224 58.000 0.267 0.000 1.226 463 F CB -0.958 38.092 39.000 0.083 0.000 0.983 463 F HN 0.238 nan 8.300 nan 0.000 0.479 464 N N 0.403 119.142 118.700 0.066 0.000 2.223 464 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 464 N C 1.742 177.159 175.510 -0.155 0.000 1.016 464 N CA 1.264 54.258 53.050 -0.094 0.000 0.863 464 N CB -0.367 38.102 38.487 -0.030 0.000 0.983 464 N HN 0.384 nan 8.380 nan 0.000 0.429 465 E N -0.330 119.766 120.200 -0.174 0.000 2.107 465 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 465 E C 1.636 178.050 176.600 -0.310 0.000 0.982 465 E CA 0.677 56.878 56.400 -0.331 0.000 0.809 465 E CB -0.354 28.996 29.700 -0.582 0.000 0.756 465 E HN 0.496 nan 8.360 nan 0.000 0.459 466 Y N 1.042 121.289 120.300 -0.088 0.000 2.314 466 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 466 Y C 2.425 178.342 175.900 0.028 0.000 1.129 466 Y CA 0.877 59.011 58.100 0.057 0.000 1.201 466 Y CB 0.037 38.650 38.460 0.255 0.000 0.999 466 Y HN -0.056 nan 8.280 nan 0.000 0.541 467 R N 0.558 121.003 120.500 -0.093 0.000 2.083 467 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 467 R C 2.012 178.264 176.300 -0.081 0.000 1.137 467 R CA 1.509 57.502 56.100 -0.178 0.000 0.951 467 R CB -0.493 29.586 30.300 -0.367 0.000 0.851 467 R HN 0.375 nan 8.270 nan 0.000 0.434 468 K N 0.119 120.438 120.400 -0.135 0.000 2.057 468 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 468 K C 2.146 178.657 176.600 -0.148 0.000 1.049 468 K CA 0.926 57.124 56.287 -0.149 0.000 0.931 468 K CB -0.184 32.194 32.500 -0.203 0.000 0.714 468 K HN -0.112 nan 8.250 nan 0.000 0.440 469 R N 0.834 121.225 120.500 -0.181 0.000 2.127 469 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 469 R C 0.939 176.979 176.300 -0.434 0.000 1.134 469 R CA 1.435 57.352 56.100 -0.305 0.000 0.975 469 R CB -0.387 29.705 30.300 -0.347 0.000 0.865 469 R HN 0.109 nan 8.270 nan 0.000 0.447 470 F N -0.750 119.171 119.950 -0.049 0.000 2.668 470 F HA 0.325 4.852 4.527 -0.000 0.000 0.297 470 F C 1.344 177.121 175.800 -0.038 0.000 1.124 470 F CA 0.373 58.349 58.000 -0.041 0.000 1.353 470 F CB 0.652 39.639 39.000 -0.021 0.000 0.992 470 F HN 0.256 nan 8.300 nan 0.000 0.524 471 G N 0.570 109.391 108.800 0.035 0.000 2.136 471 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 471 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 471 G C 0.154 175.066 174.900 0.020 0.000 0.989 471 G CA 0.032 45.154 45.100 0.037 0.000 0.682 471 G HN 0.302 nan 8.290 nan 0.000 0.522 472 M N -0.477 119.114 119.600 -0.015 0.000 2.644 472 M HA 0.504 4.984 4.480 -0.000 0.000 0.316 472 M C 0.453 176.678 176.300 -0.124 0.000 1.200 472 M CA -0.784 54.473 55.300 -0.071 0.000 0.944 472 M CB 1.654 34.190 32.600 -0.108 0.000 1.691 472 M HN 0.003 nan 8.290 nan 0.000 0.471 473 K N 2.290 122.598 120.400 -0.153 0.000 2.270 473 K HA 0.341 4.661 4.320 -0.000 0.000 0.276 473 K C -2.338 174.101 176.600 -0.267 0.000 1.023 473 K CA -1.414 54.775 56.287 -0.165 0.000 0.955 473 K CB 0.173 32.593 32.500 -0.133 0.000 0.975 473 K HN 0.314 nan 8.250 nan 0.000 0.471 474 P HA -0.000 nan 4.420 nan 0.000 0.274 474 P C -0.990 176.186 177.300 -0.207 0.000 1.231 474 P CA -0.078 62.892 63.100 -0.217 0.000 0.790 474 P CB 0.410 32.037 31.700 -0.121 0.000 0.951 475 Y N 0.203 120.467 120.300 -0.060 0.000 2.425 475 Y HA 0.037 4.587 4.550 -0.000 0.000 0.331 475 Y C 2.225 178.077 175.900 -0.081 0.000 1.157 475 Y CA 0.428 58.493 58.100 -0.059 0.000 1.372 475 Y CB 0.498 38.922 38.460 -0.061 0.000 1.253 475 Y HN 0.395 nan 8.280 nan 0.000 0.536 476 T N -2.377 112.245 114.554 0.113 0.000 3.081 476 T HA 0.143 4.493 4.350 -0.000 0.000 0.255 476 T C 0.259 174.970 174.700 0.018 0.000 1.113 476 T CA 0.448 62.575 62.100 0.044 0.000 1.082 476 T CB -0.148 68.745 68.868 0.043 0.000 0.939 476 T HN 0.529 nan 8.240 nan 0.000 0.506 477 S N -1.224 114.477 115.700 0.002 0.000 2.587 477 S HA 0.539 5.009 4.470 -0.000 0.000 0.269 477 S C -0.207 174.314 174.600 -0.131 0.000 1.154 477 S CA -0.974 57.202 58.200 -0.040 0.000 0.824 477 S CB 0.093 63.319 63.200 0.045 0.000 1.118 477 S HN -0.063 nan 8.310 nan 0.000 0.462 478 F N 1.182 121.110 119.950 -0.036 0.000 2.293 478 F HA 0.020 4.547 4.527 -0.000 0.000 0.300 478 F C 2.818 178.544 175.800 -0.123 0.000 1.086 478 F CA 1.315 59.251 58.000 -0.106 0.000 1.375 478 F CB -0.162 38.787 39.000 -0.085 0.000 1.045 478 F HN 0.638 nan 8.300 nan 0.000 0.516 479 Q N -0.077 119.779 119.800 0.094 0.000 2.079 479 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 479 Q C 2.182 178.172 176.000 -0.018 0.000 0.974 479 Q CA 1.562 57.388 55.803 0.038 0.000 0.840 479 Q CB -0.255 28.513 28.738 0.050 0.000 0.898 479 Q HN 0.496 nan 8.270 nan 0.000 0.430 480 E N 0.425 120.612 120.200 -0.021 0.000 2.150 480 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 480 E C 1.963 178.427 176.600 -0.226 0.000 0.985 480 E CA 0.509 56.910 56.400 0.002 0.000 0.814 480 E CB 0.084 29.878 29.700 0.155 0.000 0.752 480 E HN 0.191 nan 8.360 nan 0.000 0.466 481 L N 0.552 121.466 121.223 -0.515 0.000 1.988 481 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 481 L C 2.595 179.200 176.870 -0.442 0.000 1.071 481 L CA 2.537 56.825 54.840 -0.922 0.000 0.744 481 L CB -0.800 40.806 42.059 -0.756 0.000 0.893 481 L HN 0.221 nan 8.230 nan 0.000 0.433 482 T N -3.600 110.813 114.554 -0.234 0.000 3.023 482 T HA 0.187 4.537 4.350 -0.000 0.000 0.266 482 T C 1.589 176.236 174.700 -0.089 0.000 1.093 482 T CA 0.569 62.584 62.100 -0.140 0.000 1.129 482 T CB -0.453 68.368 68.868 -0.078 0.000 0.899 482 T HN 0.772 nan 8.240 nan 0.000 0.491 483 G N 1.600 110.358 108.800 -0.069 0.000 2.162 483 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 483 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 483 G C -0.134 174.758 174.900 -0.012 0.000 0.976 483 G CA 0.639 45.723 45.100 -0.028 0.000 0.655 483 G HN 1.020 nan 8.290 nan 0.000 0.533 484 E N -1.926 118.267 120.200 -0.012 0.000 2.442 484 E HA 0.832 5.182 4.350 -0.000 0.000 0.261 484 E C 0.722 177.329 176.600 0.012 0.000 0.935 484 E CA -0.846 55.554 56.400 0.001 0.000 0.856 484 E CB 0.309 30.008 29.700 -0.002 0.000 1.571 484 E HN 0.018 nan 8.360 nan 0.000 0.431 485 K N -0.590 119.820 120.400 0.016 0.000 2.367 485 K HA 0.113 4.433 4.320 -0.000 0.000 0.198 485 K C 1.637 178.253 176.600 0.027 0.000 1.132 485 K CA 0.482 56.783 56.287 0.024 0.000 0.941 485 K CB 0.376 32.889 32.500 0.023 0.000 1.052 485 K HN 0.616 nan 8.250 nan 0.000 0.507 486 E N 1.594 121.809 120.200 0.025 0.000 2.028 486 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 486 E C 2.013 178.646 176.600 0.054 0.000 0.988 486 E CA 1.192 57.610 56.400 0.031 0.000 0.799 486 E CB 0.108 29.821 29.700 0.022 0.000 0.755 486 E HN 0.122 nan 8.360 nan 0.000 0.447 487 M N 0.251 119.893 119.600 0.070 0.000 2.159 487 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 487 M C 2.451 178.774 176.300 0.037 0.000 1.063 487 M CA 1.315 56.698 55.300 0.138 0.000 1.110 487 M CB -0.225 32.461 32.600 0.144 0.000 1.374 487 M HN 0.270 nan 8.290 nan 0.000 0.411 488 A N 0.559 123.384 122.820 0.008 0.000 1.883 488 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 488 A C 2.360 179.912 177.584 -0.054 0.000 1.186 488 A CA 2.116 54.153 52.037 -0.001 0.000 0.624 488 A CB -0.980 18.063 19.000 0.073 0.000 0.822 488 A HN 0.510 nan 8.150 nan 0.000 0.444 489 A N -0.444 122.375 122.820 -0.002 0.000 1.902 489 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 489 A C 2.047 179.616 177.584 -0.025 0.000 1.181 489 A CA 1.958 53.995 52.037 -0.001 0.000 0.623 489 A CB -0.558 18.456 19.000 0.023 0.000 0.818 489 A HN 0.704 nan 8.150 nan 0.000 0.443 490 E N -0.261 119.949 120.200 0.017 0.000 2.106 490 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 490 E C 1.903 178.502 176.600 -0.002 0.000 0.984 490 E CA 0.898 57.346 56.400 0.080 0.000 0.806 490 E CB -0.206 29.627 29.700 0.221 0.000 0.750 490 E HN 0.616 nan 8.360 nan 0.000 0.458 491 L N 0.642 121.728 121.223 -0.230 0.000 2.056 491 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 491 L C 2.638 179.035 176.870 -0.788 0.000 1.078 491 L CA 1.409 55.889 54.840 -0.600 0.000 0.749 491 L CB -0.337 41.103 42.059 -1.032 0.000 0.901 491 L HN 0.202 nan 8.230 nan 0.000 0.433 492 E N 0.603 120.351 120.200 -0.754 0.000 2.118 492 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 492 E C 1.935 178.489 176.600 -0.077 0.000 0.992 492 E CA 1.569 57.774 56.400 -0.326 0.000 0.804 492 E CB 0.058 29.748 29.700 -0.017 0.000 0.741 492 E HN 0.367 nan 8.360 nan 0.000 0.458 493 E N -0.211 119.947 120.200 -0.071 0.000 2.072 493 E HA -0.078 4.271 4.350 -0.000 0.000 0.190 493 E C 1.980 178.572 176.600 -0.014 0.000 0.982 493 E CA 1.214 57.607 56.400 -0.011 0.000 0.803 493 E CB -0.247 29.455 29.700 0.004 0.000 0.755 493 E HN 0.388 nan 8.360 nan 0.000 0.453 494 L N -0.819 120.381 121.223 -0.038 0.000 2.027 494 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 494 L C 2.028 178.821 176.870 -0.129 0.000 1.074 494 L CA 1.251 56.044 54.840 -0.079 0.000 0.745 494 L CB -0.367 41.651 42.059 -0.067 0.000 0.898 494 L HN 0.238 nan 8.230 nan 0.000 0.433 495 Y N -0.760 119.519 120.300 -0.035 0.000 2.490 495 Y HA 0.077 4.627 4.550 -0.000 0.000 0.285 495 Y C 2.068 178.037 175.900 0.116 0.000 1.117 495 Y CA 0.724 58.869 58.100 0.074 0.000 1.262 495 Y CB 0.274 38.852 38.460 0.197 0.000 1.043 495 Y HN 0.294 nan 8.280 nan 0.000 0.553 496 G N -0.213 108.728 108.800 0.233 0.000 2.435 496 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.245 496 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.245 496 G C -0.014 175.035 174.900 0.250 0.000 1.073 496 G CA 0.704 45.919 45.100 0.191 0.000 0.638 496 G HN 0.372 nan 8.290 nan 0.000 0.521 497 D N -0.994 119.606 120.400 0.334 0.000 2.947 497 D HA 0.465 5.105 4.640 -0.000 0.000 0.224 497 D C 0.981 177.420 176.300 0.232 0.000 1.230 497 D CA -0.493 53.663 54.000 0.260 0.000 0.871 497 D CB 1.346 42.243 40.800 0.162 0.000 1.671 497 D HN 0.136 nan 8.370 nan 0.000 0.507 498 I N 2.346 122.912 120.570 -0.007 0.000 2.423 498 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 498 I C 1.092 177.081 176.117 -0.215 0.000 1.151 498 I CA 1.507 62.512 61.300 -0.492 0.000 1.421 498 I CB 0.025 37.713 38.000 -0.520 0.000 1.079 498 I HN 0.357 nan 8.210 nan 0.000 0.431 499 D N 0.334 120.711 120.400 -0.039 0.000 2.363 499 D HA 0.111 4.750 4.640 -0.000 0.000 0.226 499 D C 1.707 178.048 176.300 0.069 0.000 1.020 499 D CA 0.916 54.929 54.000 0.022 0.000 0.892 499 D CB 0.304 41.139 40.800 0.058 0.000 0.900 499 D HN 0.509 nan 8.370 nan 0.000 0.531 500 A N 0.159 123.026 122.820 0.079 0.000 2.343 500 A HA 0.126 4.446 4.320 -0.000 0.000 0.223 500 A C 0.839 178.431 177.584 0.013 0.000 1.214 500 A CA -0.347 51.780 52.037 0.149 0.000 0.900 500 A CB 0.232 19.399 19.000 0.277 0.000 0.942 500 A HN 0.157 nan 8.150 nan 0.000 0.507 501 L N 1.720 122.799 121.223 -0.240 0.000 2.540 501 L HA 0.136 4.476 4.340 -0.000 0.000 0.276 501 L C 0.184 176.946 176.870 -0.180 0.000 1.212 501 L CA 0.339 54.810 54.840 -0.616 0.000 0.893 501 L CB -0.003 41.806 42.059 -0.416 0.000 1.138 501 L HN 0.401 nan 8.230 nan 0.000 0.491 502 E N 3.612 123.730 120.200 -0.136 0.000 2.345 502 E HA 0.025 4.375 4.350 -0.000 0.000 0.259 502 E C 0.403 177.124 176.600 0.201 0.000 1.117 502 E CA -0.248 56.249 56.400 0.163 0.000 0.913 502 E CB 0.556 30.411 29.700 0.258 0.000 1.057 502 E HN 0.659 nan 8.360 nan 0.000 0.432 503 F N 1.427 121.485 119.950 0.181 0.000 2.025 503 F HA -0.326 4.201 4.527 -0.000 0.000 0.297 503 F C 2.089 177.957 175.800 0.113 0.000 1.132 503 F CA 1.816 59.942 58.000 0.211 0.000 1.191 503 F CB -0.386 38.655 39.000 0.070 0.000 0.963 503 F HN 0.623 nan 8.300 nan 0.000 0.481 504 Y N 1.160 121.430 120.300 -0.050 0.000 2.145 504 Y HA -0.060 4.490 4.550 -0.000 0.000 0.286 504 Y C -0.793 174.966 175.900 -0.235 0.000 1.145 504 Y CA 1.578 59.559 58.100 -0.199 0.000 1.148 504 Y CB -1.909 36.517 38.460 -0.056 0.000 0.981 504 Y HN 0.070 nan 8.280 nan 0.000 0.507 505 P HA -0.101 nan 4.420 nan 0.000 0.216 505 P C 1.727 178.722 177.300 -0.507 0.000 1.153 505 P CA 2.317 65.239 63.100 -0.297 0.000 0.848 505 P CB -0.417 31.236 31.700 -0.079 0.000 0.787 506 G N -0.128 108.259 108.800 -0.688 0.000 2.440 506 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 506 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 506 G C 1.519 175.679 174.900 -1.234 0.000 1.154 506 G CA 0.561 44.861 45.100 -1.333 0.000 0.767 506 G HN 0.214 nan 8.290 nan 0.000 0.552 507 L N -0.210 120.475 121.223 -0.897 0.000 2.046 507 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 507 L C 2.792 179.399 176.870 -0.438 0.000 1.077 507 L CA 0.744 55.268 54.840 -0.527 0.000 0.747 507 L CB -0.249 41.515 42.059 -0.493 0.000 0.896 507 L HN 0.193 nan 8.230 nan 0.000 0.432 508 L N -0.928 119.988 121.223 -0.512 0.000 2.418 508 L HA -0.073 4.267 4.340 -0.000 0.000 0.218 508 L C 1.976 178.669 176.870 -0.295 0.000 1.125 508 L CA 0.446 55.056 54.840 -0.384 0.000 0.835 508 L CB 0.002 41.781 42.059 -0.466 0.000 0.953 508 L HN 0.305 nan 8.230 nan 0.000 0.454 509 L N -0.825 120.190 121.223 -0.346 0.000 2.554 509 L HA 0.099 4.439 4.340 -0.000 0.000 0.225 509 L C 1.140 177.852 176.870 -0.264 0.000 1.104 509 L CA -0.078 54.597 54.840 -0.275 0.000 0.866 509 L CB 0.080 41.957 42.059 -0.303 0.000 1.047 509 L HN 0.203 nan 8.230 nan 0.000 0.468 510 E N 2.952 122.970 120.200 -0.302 0.000 2.413 510 E HA 0.003 4.353 4.350 -0.000 0.000 0.263 510 E C -0.090 176.410 176.600 -0.167 0.000 1.015 510 E CA -0.450 55.805 56.400 -0.243 0.000 0.916 510 E CB 0.694 30.304 29.700 -0.149 0.000 0.947 510 E HN 0.152 nan 8.360 nan 0.000 0.440 511 K N 2.707 123.021 120.400 -0.144 0.000 2.436 511 K HA 0.079 4.399 4.320 -0.000 0.000 0.275 511 K C -0.646 175.893 176.600 -0.102 0.000 0.999 511 K CA -0.634 55.594 56.287 -0.099 0.000 0.980 511 K CB 0.399 32.859 32.500 -0.067 0.000 0.919 511 K HN 0.327 nan 8.250 nan 0.000 0.484 512 C N 2.275 121.525 119.300 -0.084 0.000 2.500 512 C HA 0.178 4.638 4.460 -0.000 0.000 0.367 512 C C 0.716 175.676 174.990 -0.050 0.000 1.283 512 C CA -0.562 58.404 59.018 -0.086 0.000 2.456 512 C CB -0.465 27.239 27.740 -0.060 0.000 2.457 512 C HN 0.790 nan 8.230 nan 0.000 0.632 513 H N 0.720 119.761 119.070 -0.048 0.000 2.671 513 H HA 0.169 4.725 4.556 -0.000 0.000 0.372 513 H C -2.067 173.267 175.328 0.010 0.000 1.227 513 H CA -0.831 55.184 56.048 -0.055 0.000 1.426 513 H CB 0.100 29.701 29.762 -0.267 0.000 1.480 513 H HN 0.423 nan 8.280 nan 0.000 0.611 514 P HA -0.105 nan 4.420 nan 0.000 0.260 514 P C -0.594 176.771 177.300 0.109 0.000 1.185 514 P CA 0.660 63.851 63.100 0.151 0.000 0.763 514 P CB 0.089 31.905 31.700 0.193 0.000 0.776 515 N N -0.337 118.391 118.700 0.047 0.000 2.708 515 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 515 N C -0.530 174.962 175.510 -0.031 0.000 1.097 515 N CA 1.214 54.263 53.050 -0.002 0.000 0.710 515 N CB -1.653 36.834 38.487 -0.000 0.000 1.032 515 N HN 0.280 nan 8.380 nan 0.000 0.551 516 S N -0.437 115.250 115.700 -0.023 0.000 2.681 516 S HA 0.472 4.942 4.470 -0.000 0.000 0.299 516 S C 1.420 175.890 174.600 -0.216 0.000 1.113 516 S CA -0.792 57.357 58.200 -0.084 0.000 1.013 516 S CB 1.860 65.076 63.200 0.027 0.000 1.076 516 S HN 0.283 nan 8.310 nan 0.000 0.534 517 I N 0.874 121.189 120.570 -0.425 0.000 2.493 517 I HA 0.054 4.224 4.170 -0.000 0.000 0.254 517 I C -0.269 175.523 176.117 -0.542 0.000 1.160 517 I CA 1.185 62.116 61.300 -0.615 0.000 1.445 517 I CB 0.017 37.440 38.000 -0.961 0.000 1.086 517 I HN 0.665 nan 8.210 nan 0.000 0.433 518 F N -2.299 117.512 119.950 -0.231 0.000 2.985 518 F HA 0.653 5.180 4.527 -0.000 0.000 0.322 518 F C 0.304 175.962 175.800 -0.237 0.000 1.187 518 F CA -1.168 56.689 58.000 -0.238 0.000 0.910 518 F CB -0.076 38.753 39.000 -0.285 0.000 1.411 518 F HN -0.277 nan 8.300 nan 0.000 0.492 519 G N -0.314 108.506 108.800 0.034 0.000 2.588 519 G HA2 0.352 4.312 3.960 -0.000 0.000 0.281 519 G HA3 0.352 4.312 3.960 -0.000 0.000 0.281 519 G C 0.374 175.083 174.900 -0.318 0.000 1.236 519 G CA -0.041 44.930 45.100 -0.214 0.000 0.969 519 G HN 0.985 nan 8.290 nan 0.000 0.504 520 E N -0.862 119.044 120.200 -0.489 0.000 2.110 520 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 520 E C 2.238 178.784 176.600 -0.091 0.000 0.988 520 E CA 1.512 57.753 56.400 -0.265 0.000 0.804 520 E CB -0.313 29.306 29.700 -0.135 0.000 0.745 520 E HN 0.257 nan 8.360 nan 0.000 0.458 521 S N 0.648 116.314 115.700 -0.057 0.000 2.382 521 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 521 S C 1.799 176.317 174.600 -0.137 0.000 1.027 521 S CA 1.546 59.728 58.200 -0.030 0.000 0.991 521 S CB -0.271 63.033 63.200 0.173 0.000 0.823 521 S HN 0.262 nan 8.310 nan 0.000 0.469 522 M N 1.418 120.858 119.600 -0.266 0.000 2.159 522 M HA 0.026 4.506 4.480 -0.000 0.000 0.263 522 M C 1.620 177.679 176.300 -0.402 0.000 1.063 522 M CA 1.509 56.523 55.300 -0.476 0.000 1.110 522 M CB -0.427 31.525 32.600 -1.080 0.000 1.374 522 M HN 0.268 nan 8.290 nan 0.000 0.411 523 I N -0.712 119.691 120.570 -0.279 0.000 2.235 523 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 523 I C 2.077 178.184 176.117 -0.016 0.000 1.085 523 I CA 0.763 62.029 61.300 -0.058 0.000 1.378 523 I CB -0.623 37.450 38.000 0.123 0.000 1.076 523 I HN 0.186 nan 8.210 nan 0.000 0.415 524 E N 0.558 120.747 120.200 -0.019 0.000 2.204 524 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 524 E C 2.112 178.617 176.600 -0.158 0.000 0.990 524 E CA 1.368 57.764 56.400 -0.007 0.000 0.821 524 E CB -0.117 29.602 29.700 0.032 0.000 0.750 524 E HN 0.559 nan 8.360 nan 0.000 0.477 525 M N -1.002 118.405 119.600 -0.322 0.000 2.552 525 M HA 0.107 4.587 4.480 -0.000 0.000 0.264 525 M C 2.245 178.309 176.300 -0.393 0.000 1.159 525 M CA 1.021 55.847 55.300 -0.791 0.000 1.176 525 M CB 0.013 32.265 32.600 -0.580 0.000 1.327 525 M HN 0.067 nan 8.290 nan 0.000 0.481 526 G N 0.194 108.947 108.800 -0.079 0.000 2.403 526 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 526 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 526 G C 1.624 176.605 174.900 0.134 0.000 1.154 526 G CA 0.850 46.045 45.100 0.159 0.000 0.784 526 G HN 0.468 nan 8.290 nan 0.000 0.538 527 A N 1.768 124.626 122.820 0.064 0.000 1.883 527 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 527 A C 0.733 178.345 177.584 0.047 0.000 1.186 527 A CA 2.026 54.120 52.037 0.094 0.000 0.624 527 A CB -1.221 17.840 19.000 0.102 0.000 0.822 527 A HN 0.365 nan 8.150 nan 0.000 0.444 528 P HA -0.134 nan 4.420 nan 0.000 0.215 528 P C 1.193 178.406 177.300 -0.146 0.000 1.157 528 P CA 1.159 64.210 63.100 -0.082 0.000 0.868 528 P CB -0.203 31.442 31.700 -0.090 0.000 0.788 529 F N -0.368 119.468 119.950 -0.190 0.000 2.102 529 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 529 F C 2.475 177.934 175.800 -0.567 0.000 1.105 529 F CA 1.240 58.906 58.000 -0.558 0.000 1.239 529 F CB -0.901 37.375 39.000 -1.207 0.000 0.991 529 F HN -0.117 nan 8.300 nan 0.000 0.474 530 S N 0.719 116.369 115.700 -0.084 0.000 2.348 530 S HA -0.158 4.312 4.470 -0.000 0.000 0.221 530 S C 2.060 176.751 174.600 0.151 0.000 1.033 530 S CA 1.193 59.499 58.200 0.176 0.000 1.010 530 S CB -0.641 62.790 63.200 0.385 0.000 0.891 530 S HN 0.247 nan 8.310 nan 0.000 0.442 531 L N 1.124 122.424 121.223 0.130 0.000 2.046 531 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 531 L C 2.547 179.508 176.870 0.151 0.000 1.077 531 L CA 1.264 56.186 54.840 0.137 0.000 0.747 531 L CB -0.498 41.633 42.059 0.120 0.000 0.896 531 L HN 0.221 nan 8.230 nan 0.000 0.432 532 K N 0.839 121.308 120.400 0.115 0.000 2.103 532 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 532 K C 1.887 178.549 176.600 0.103 0.000 1.048 532 K CA 1.602 57.968 56.287 0.131 0.000 0.930 532 K CB -0.708 31.807 32.500 0.026 0.000 0.716 532 K HN 0.231 nan 8.250 nan 0.000 0.444 533 G N 0.145 108.968 108.800 0.039 0.000 2.403 533 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 533 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 533 G C 1.204 176.152 174.900 0.080 0.000 1.154 533 G CA 0.513 45.612 45.100 -0.002 0.000 0.784 533 G HN 0.196 nan 8.290 nan 0.000 0.538 534 L N 0.352 121.659 121.223 0.141 0.000 2.049 534 L HA 0.205 4.545 4.340 -0.000 0.000 0.203 534 L C 2.688 179.679 176.870 0.201 0.000 1.074 534 L CA 0.875 55.810 54.840 0.158 0.000 0.749 534 L CB -1.016 41.125 42.059 0.137 0.000 0.907 534 L HN 0.100 nan 8.230 nan 0.000 0.439 535 L N -0.581 120.786 121.223 0.241 0.000 2.395 535 L HA 0.048 4.388 4.340 -0.000 0.000 0.218 535 L C 2.120 179.310 176.870 0.532 0.000 1.130 535 L CA 1.158 56.178 54.840 0.300 0.000 0.826 535 L CB -1.596 40.504 42.059 0.068 0.000 0.941 535 L HN 0.351 nan 8.230 nan 0.000 0.451 536 G N -0.327 108.746 108.800 0.457 0.000 2.848 536 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.208 536 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.208 536 G C 0.837 175.928 174.900 0.318 0.000 1.152 536 G CA -0.222 45.081 45.100 0.338 0.000 0.789 536 G HN 0.293 nan 8.290 nan 0.000 0.531 537 N N 1.089 119.984 118.700 0.325 0.000 2.513 537 N HA 0.080 4.820 4.740 -0.000 0.000 0.268 537 N C -1.019 174.647 175.510 0.259 0.000 1.180 537 N CA -1.464 51.738 53.050 0.254 0.000 0.948 537 N CB 2.162 40.799 38.487 0.250 0.000 1.083 537 N HN -0.072 nan 8.380 nan 0.000 0.455 538 P HA -0.155 nan 4.420 nan 0.000 0.219 538 P C 1.493 178.735 177.300 -0.097 0.000 1.146 538 P CA 1.195 64.217 63.100 -0.131 0.000 0.808 538 P CB -0.093 31.451 31.700 -0.260 0.000 0.779 539 I N -3.134 117.613 120.570 0.295 0.000 2.756 539 I HA -0.099 4.071 4.170 -0.000 0.000 0.262 539 I C 1.569 178.020 176.117 0.557 0.000 1.225 539 I CA 1.236 62.872 61.300 0.559 0.000 1.472 539 I CB -1.139 37.263 38.000 0.671 0.000 1.094 539 I HN -0.156 nan 8.210 nan 0.000 0.454 540 C N 1.474 120.966 119.300 0.319 0.000 2.618 540 C HA 0.192 4.652 4.460 -0.000 0.000 0.264 540 C C 1.789 176.772 174.990 -0.011 0.000 1.334 540 C CA 0.188 59.314 59.018 0.179 0.000 1.731 540 C CB -1.781 26.127 27.740 0.279 0.000 1.852 540 C HN 0.708 nan 8.230 nan 0.000 0.566 541 S N 1.779 117.241 115.700 -0.397 0.000 2.593 541 S HA 0.203 4.673 4.470 -0.000 0.000 0.269 541 S C -1.753 172.694 174.600 -0.255 0.000 1.334 541 S CA -0.570 57.064 58.200 -0.944 0.000 1.015 541 S CB 0.689 63.300 63.200 -0.980 0.000 0.912 541 S HN 0.053 nan 8.310 nan 0.000 0.541 542 P HA -0.091 nan 4.420 nan 0.000 0.218 542 P C 1.373 178.573 177.300 -0.166 0.000 1.148 542 P CA 1.142 63.849 63.100 -0.655 0.000 0.822 542 P CB 0.074 31.258 31.700 -0.861 0.000 0.784 543 E N -1.319 118.817 120.200 -0.107 0.000 2.072 543 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 543 E C 1.698 178.456 176.600 0.263 0.000 0.985 543 E CA 1.578 58.014 56.400 0.060 0.000 0.801 543 E CB -0.754 28.985 29.700 0.066 0.000 0.750 543 E HN 0.394 nan 8.360 nan 0.000 0.452 544 Y N -2.045 118.255 120.300 -0.001 0.000 2.436 544 Y HA 0.022 4.572 4.550 -0.000 0.000 0.288 544 Y C 0.906 176.887 175.900 0.135 0.000 1.112 544 Y CA -0.533 57.582 58.100 0.024 0.000 1.220 544 Y CB 0.067 38.558 38.460 0.052 0.000 1.073 544 Y HN 0.094 nan 8.280 nan 0.000 0.552 545 W N 4.708 126.165 121.300 0.261 0.000 1.534 545 W HA 0.130 4.790 4.660 -0.000 0.000 0.520 545 W C -0.985 175.660 176.519 0.210 0.000 0.682 545 W CA 0.696 58.256 57.345 0.358 0.000 2.176 545 W CB -0.576 29.183 29.460 0.498 0.000 1.620 545 W HN 0.070 nan 8.180 nan 0.000 0.206 546 K N 1.505 121.742 120.400 -0.272 0.000 2.536 546 K HA 0.420 4.740 4.320 -0.000 0.000 0.269 546 K C 0.546 176.621 176.600 -0.875 0.000 0.965 546 K CA -0.462 55.550 56.287 -0.458 0.000 0.860 546 K CB 1.546 33.933 32.500 -0.188 0.000 1.423 546 K HN -0.024 nan 8.250 nan 0.000 0.438 547 A N 0.897 123.252 122.820 -0.775 0.000 1.908 547 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 547 A C 1.971 179.421 177.584 -0.224 0.000 1.181 547 A CA 2.436 54.152 52.037 -0.535 0.000 0.627 547 A CB -0.921 18.031 19.000 -0.080 0.000 0.818 547 A HN 0.789 nan 8.150 nan 0.000 0.445 548 S N -0.899 114.693 115.700 -0.180 0.000 2.419 548 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 548 S C 1.724 176.202 174.600 -0.203 0.000 1.019 548 S CA 1.865 59.997 58.200 -0.113 0.000 0.982 548 S CB -1.189 61.956 63.200 -0.092 0.000 0.789 548 S HN 0.512 nan 8.310 nan 0.000 0.490 549 T N 1.453 115.773 114.554 -0.390 0.000 2.833 549 T HA 0.072 4.422 4.350 -0.000 0.000 0.269 549 T C 0.553 174.825 174.700 -0.715 0.000 1.054 549 T CA 1.107 62.818 62.100 -0.648 0.000 1.135 549 T CB -0.449 67.856 68.868 -0.938 0.000 0.869 549 T HN 0.598 nan 8.240 nan 0.000 0.466 550 F N 0.411 120.274 119.950 -0.145 0.000 2.668 550 F HA 0.467 4.994 4.527 -0.000 0.000 0.297 550 F C 1.656 177.502 175.800 0.076 0.000 1.124 550 F CA -0.441 57.547 58.000 -0.019 0.000 1.353 550 F CB -0.142 38.858 39.000 0.001 0.000 0.992 550 F HN 0.199 nan 8.300 nan 0.000 0.524 551 G N 0.081 109.001 108.800 0.200 0.000 2.148 551 G HA2 0.085 4.045 3.960 -0.000 0.000 0.254 551 G HA3 0.085 4.045 3.960 -0.000 0.000 0.254 551 G C 0.604 175.673 174.900 0.282 0.000 0.981 551 G CA 0.000 45.272 45.100 0.287 0.000 0.670 551 G HN 1.216 nan 8.290 nan 0.000 0.528 552 G N -1.333 107.583 108.800 0.193 0.000 2.373 552 G HA2 0.294 4.254 3.960 -0.000 0.000 0.634 552 G HA3 0.294 4.254 3.960 -0.000 0.000 0.634 552 G C 0.147 175.145 174.900 0.164 0.000 1.267 552 G CA 0.526 45.720 45.100 0.157 0.000 1.008 552 G HN 0.844 nan 8.290 nan 0.000 0.497 553 E N -0.871 119.410 120.200 0.134 0.000 2.118 553 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 553 E C 2.630 179.304 176.600 0.123 0.000 0.992 553 E CA 2.042 58.531 56.400 0.147 0.000 0.804 553 E CB -0.171 29.582 29.700 0.088 0.000 0.741 553 E HN 1.081 nan 8.360 nan 0.000 0.458 554 V N -0.261 119.705 119.914 0.086 0.000 2.255 554 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 554 V C 2.002 178.153 176.094 0.096 0.000 1.051 554 V CA 2.596 64.933 62.300 0.061 0.000 1.018 554 V CB -0.830 31.009 31.823 0.026 0.000 0.641 554 V HN 0.415 nan 8.190 nan 0.000 0.445 555 G N -1.640 107.252 108.800 0.152 0.000 2.408 555 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 555 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 555 G C 1.545 176.548 174.900 0.172 0.000 1.150 555 G CA 0.918 46.133 45.100 0.191 0.000 0.776 555 G HN 0.517 nan 8.290 nan 0.000 0.542 556 F N 2.310 122.238 119.950 -0.035 0.000 2.134 556 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 556 F C 2.261 177.927 175.800 -0.224 0.000 1.097 556 F CA 0.861 58.706 58.000 -0.258 0.000 1.264 556 F CB -0.387 38.516 39.000 -0.163 0.000 1.001 556 F HN 0.069 nan 8.300 nan 0.000 0.479 557 N N 0.542 119.245 118.700 0.006 0.000 2.244 557 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 557 N C 2.159 177.644 175.510 -0.042 0.000 1.016 557 N CA 0.928 53.932 53.050 -0.077 0.000 0.866 557 N CB -0.553 37.916 38.487 -0.031 0.000 0.980 557 N HN 0.321 nan 8.380 nan 0.000 0.430 558 L N 0.195 121.421 121.223 0.006 0.000 2.079 558 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 558 L C 2.119 179.015 176.870 0.043 0.000 1.081 558 L CA 0.818 55.678 54.840 0.033 0.000 0.752 558 L CB -0.347 41.753 42.059 0.067 0.000 0.896 558 L HN -0.010 nan 8.230 nan 0.000 0.433 559 V N -0.253 119.661 119.914 0.001 0.000 2.283 559 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 559 V C 2.362 178.525 176.094 0.114 0.000 1.039 559 V CA 1.677 64.011 62.300 0.057 0.000 1.016 559 V CB -0.452 31.317 31.823 -0.090 0.000 0.650 559 V HN 0.395 nan 8.190 nan 0.000 0.449 560 K N 0.361 120.739 120.400 -0.037 0.000 2.209 560 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 560 K C 1.688 178.300 176.600 0.020 0.000 1.048 560 K CA 1.781 58.048 56.287 -0.034 0.000 0.940 560 K CB -0.236 32.116 32.500 -0.247 0.000 0.729 560 K HN 0.690 nan 8.250 nan 0.000 0.451 561 T N -2.579 111.982 114.554 0.013 0.000 3.182 561 T HA 0.407 4.757 4.350 -0.000 0.000 0.277 561 T C 0.307 175.030 174.700 0.037 0.000 1.013 561 T CA -0.557 61.553 62.100 0.018 0.000 0.900 561 T CB 0.412 69.275 68.868 -0.009 0.000 1.098 561 T HN 0.065 nan 8.240 nan 0.000 0.543 562 A N 2.080 124.946 122.820 0.075 0.000 2.483 562 A HA 0.587 4.907 4.320 -0.000 0.000 0.238 562 A C 0.768 178.384 177.584 0.054 0.000 1.070 562 A CA 0.090 52.174 52.037 0.079 0.000 0.770 562 A CB -0.067 19.020 19.000 0.144 0.000 1.008 562 A HN 0.875 nan 8.150 nan 0.000 0.497 563 T N -0.459 114.103 114.554 0.013 0.000 2.868 563 T HA 0.441 4.791 4.350 -0.000 0.000 0.306 563 T C 0.772 175.422 174.700 -0.083 0.000 1.224 563 T CA -0.600 61.479 62.100 -0.035 0.000 1.012 563 T CB 0.735 69.567 68.868 -0.060 0.000 1.221 563 T HN 0.492 nan 8.240 nan 0.000 0.499 564 L N 0.868 121.993 121.223 -0.163 0.000 2.017 564 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 564 L C 2.736 179.482 176.870 -0.207 0.000 1.073 564 L CA 2.007 56.706 54.840 -0.236 0.000 0.745 564 L CB -0.478 41.273 42.059 -0.513 0.000 0.894 564 L HN 0.955 nan 8.230 nan 0.000 0.432 565 K N 0.208 120.486 120.400 -0.203 0.000 2.044 565 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 565 K C 2.111 178.632 176.600 -0.132 0.000 1.049 565 K CA 1.877 58.062 56.287 -0.170 0.000 0.927 565 K CB -0.009 32.401 32.500 -0.149 0.000 0.713 565 K HN 0.195 nan 8.250 nan 0.000 0.443 566 K N 0.240 120.576 120.400 -0.108 0.000 2.147 566 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 566 K C 2.017 178.551 176.600 -0.109 0.000 1.049 566 K CA 1.079 57.313 56.287 -0.088 0.000 0.936 566 K CB -0.153 32.312 32.500 -0.058 0.000 0.722 566 K HN 0.105 nan 8.250 nan 0.000 0.446 567 L N 0.582 121.720 121.223 -0.141 0.000 2.083 567 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 567 L C 1.800 178.534 176.870 -0.227 0.000 1.083 567 L CA 1.585 56.296 54.840 -0.216 0.000 0.752 567 L CB -0.115 41.760 42.059 -0.306 0.000 0.899 567 L HN -0.091 nan 8.230 nan 0.000 0.433 568 V N -1.844 117.955 119.914 -0.193 0.000 2.341 568 V HA -0.207 3.913 4.120 -0.000 0.000 0.240 568 V C 2.456 178.466 176.094 -0.140 0.000 1.035 568 V CA 1.533 63.725 62.300 -0.179 0.000 1.033 568 V CB -0.528 31.194 31.823 -0.168 0.000 0.678 568 V HN 0.537 nan 8.190 nan 0.000 0.464 569 c N 0.153 118.681 118.600 -0.119 0.000 2.419 569 c HA -0.032 4.538 4.570 -0.000 0.000 0.283 569 c C 2.386 176.426 174.090 -0.083 0.000 1.373 569 c CA 0.398 56.671 56.329 -0.093 0.000 1.781 569 c CB -1.175 41.286 42.510 -0.081 0.000 1.886 569 c HN 0.460 nan 8.230 nan 0.000 0.520 570 L N 0.985 122.156 121.223 -0.087 0.000 2.554 570 L HA 0.098 4.438 4.340 -0.000 0.000 0.226 570 L C 1.500 178.321 176.870 -0.082 0.000 1.137 570 L CA 1.460 56.256 54.840 -0.073 0.000 0.863 570 L CB -0.558 41.463 42.059 -0.063 0.000 0.985 570 L HN 0.378 nan 8.230 nan 0.000 0.451 571 N N -1.116 117.522 118.700 -0.102 0.000 2.200 571 N HA 0.141 4.881 4.740 -0.000 0.000 0.224 571 N C 0.121 175.558 175.510 -0.122 0.000 1.179 571 N CA 0.298 53.280 53.050 -0.114 0.000 0.877 571 N CB 1.036 39.443 38.487 -0.133 0.000 1.072 571 N HN 0.299 nan 8.380 nan 0.000 0.519 572 T N -2.997 111.495 114.554 -0.104 0.000 2.901 572 T HA 0.366 4.716 4.350 -0.000 0.000 0.293 572 T C 0.959 175.615 174.700 -0.073 0.000 1.084 572 T CA -0.618 61.424 62.100 -0.096 0.000 1.008 572 T CB 2.916 71.728 68.868 -0.092 0.000 1.170 572 T HN -0.297 nan 8.240 nan 0.000 0.509 573 K N 1.129 121.492 120.400 -0.062 0.000 2.103 573 K HA 0.091 4.411 4.320 -0.000 0.000 0.204 573 K C 0.987 177.565 176.600 -0.037 0.000 1.052 573 K CA 1.640 57.899 56.287 -0.045 0.000 0.945 573 K CB -0.589 31.890 32.500 -0.035 0.000 0.722 573 K HN 0.952 nan 8.250 nan 0.000 0.443 574 T N -3.282 111.251 114.554 -0.035 0.000 2.930 574 T HA 0.393 4.743 4.350 -0.000 0.000 0.290 574 T C -0.704 173.975 174.700 -0.034 0.000 1.052 574 T CA -0.976 61.108 62.100 -0.027 0.000 1.017 574 T CB 1.388 70.246 68.868 -0.016 0.000 1.137 574 T HN 0.083 nan 8.240 nan 0.000 0.511 575 c N 4.489 123.072 118.600 -0.028 0.000 2.239 575 c HA 0.676 5.246 4.570 -0.000 0.000 0.323 575 c C -1.748 172.332 174.090 -0.017 0.000 1.205 575 c CA -1.383 54.926 56.329 -0.034 0.000 1.584 575 c CB -0.578 41.910 42.510 -0.036 0.000 2.201 575 c HN 0.865 nan 8.230 nan 0.000 0.475 576 P HA 0.165 nan 4.420 nan 0.000 0.293 576 P C -1.202 176.119 177.300 0.036 0.000 1.304 576 P CA -0.399 62.710 63.100 0.016 0.000 0.767 576 P CB 0.506 32.205 31.700 -0.001 0.000 1.247 577 Y N 0.263 120.552 120.300 -0.019 0.000 2.402 577 Y HA 0.369 4.919 4.550 -0.000 0.000 0.333 577 Y C -0.565 175.334 175.900 -0.002 0.000 1.076 577 Y CA -0.183 57.912 58.100 -0.008 0.000 1.299 577 Y CB 0.260 38.720 38.460 -0.001 0.000 1.197 577 Y HN 0.144 nan 8.280 nan 0.000 0.517 578 V N 6.782 126.293 119.914 -0.672 0.000 2.623 578 V HA 0.779 4.899 4.120 -0.000 0.000 0.304 578 V C -1.187 174.548 176.094 -0.598 0.000 1.054 578 V CA 0.293 62.303 62.300 -0.484 0.000 0.882 578 V CB 1.530 33.190 31.823 -0.272 0.000 1.002 578 V HN 0.959 nan 8.190 nan 0.000 0.424 579 S N 4.544 119.993 115.700 -0.418 0.000 2.656 579 S HA 0.464 4.934 4.470 -0.000 0.000 0.265 579 S C -0.473 174.130 174.600 0.005 0.000 1.110 579 S CA -0.353 57.678 58.200 -0.283 0.000 0.821 579 S CB 1.045 64.158 63.200 -0.145 0.000 1.099 579 S HN 0.631 nan 8.310 nan 0.000 0.471 580 F N 1.369 121.379 119.950 0.100 0.000 2.727 580 F HA 0.268 4.795 4.527 -0.000 0.000 0.302 580 F C 1.007 176.913 175.800 0.178 0.000 1.097 580 F CA -0.087 58.022 58.000 0.181 0.000 1.330 580 F CB 0.274 39.374 39.000 0.167 0.000 1.084 580 F HN 0.640 nan 8.300 nan 0.000 0.578 581 H N -1.850 117.347 119.070 0.212 0.000 2.768 581 H HA 0.561 5.117 4.556 -0.000 0.000 0.371 581 H C -0.482 174.969 175.328 0.204 0.000 1.151 581 H CA -1.547 54.581 56.048 0.134 0.000 1.165 581 H CB 1.544 31.346 29.762 0.067 0.000 1.722 581 H HN -0.137 nan 8.280 nan 0.000 0.543 582 V N 0.308 120.277 119.914 0.092 0.000 2.999 582 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 582 V C -1.981 173.987 176.094 -0.210 0.000 1.084 582 V CA -1.294 61.017 62.300 0.019 0.000 1.155 582 V CB 0.074 31.888 31.823 -0.015 0.000 0.975 582 V HN 0.786 nan 8.190 nan 0.000 0.490 583 P HA 0.209 nan 4.420 nan 0.000 0.282 583 P C -0.698 176.435 177.300 -0.278 0.000 1.286 583 P CA 0.038 62.895 63.100 -0.406 0.000 0.777 583 P CB 0.612 31.860 31.700 -0.753 0.000 1.184 584 D N 0.000 120.268 120.400 -0.219 0.000 6.856 584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 584 D CA 0.000 53.915 54.000 -0.142 0.000 0.868 584 D CB 0.000 40.743 40.800 -0.096 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683