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 1u67_1_A 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 KIVIEEYAQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHFHPLM 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 0.000 177.331 177.300 0.052 0.000 1.155 32 P CA 0.000 63.129 63.100 0.048 0.000 0.800 32 P CB 0.000 31.733 31.700 0.056 0.000 0.726 33 V N -0.329 119.629 119.914 0.073 0.000 2.406 33 V HA 0.409 4.529 4.120 -0.000 0.000 0.272 33 V C 0.577 176.723 176.094 0.086 0.000 1.043 33 V CA -0.769 61.578 62.300 0.077 0.000 0.915 33 V CB 0.661 32.568 31.823 0.140 0.000 0.988 33 V HN 0.656 nan 8.190 nan 0.000 0.466 34 N N 8.023 126.744 118.700 0.034 0.000 2.418 34 N HA 0.045 4.785 4.740 -0.000 0.000 0.277 34 N C -0.769 174.768 175.510 0.044 0.000 1.317 34 N CA -1.298 51.769 53.050 0.027 0.000 0.922 34 N CB 1.104 39.578 38.487 -0.022 0.000 1.194 34 N HN 0.559 nan 8.380 nan 0.000 0.485 35 P HA -0.140 nan 4.420 nan 0.000 0.218 35 P C 0.717 177.985 177.300 -0.053 0.000 1.146 35 P CA 1.033 64.213 63.100 0.133 0.000 0.820 35 P CB 0.006 31.860 31.700 0.257 0.000 0.778 36 c N -1.051 117.483 118.600 -0.110 0.000 2.536 36 c HA 0.095 4.665 4.570 -0.000 0.000 0.285 36 c C 2.571 176.482 174.090 -0.299 0.000 1.371 36 c CA -0.122 56.091 56.329 -0.193 0.000 1.675 36 c CB -2.535 39.914 42.510 -0.102 0.000 1.689 36 c HN 0.359 nan 8.230 nan 0.000 0.589 37 c N -0.751 117.645 118.600 -0.340 0.000 2.539 37 c HA 0.038 4.608 4.570 -0.000 0.000 0.268 37 c C 1.870 175.398 174.090 -0.936 0.000 1.395 37 c CA 0.434 56.380 56.329 -0.638 0.000 1.757 37 c CB -1.424 40.761 42.510 -0.542 0.000 1.851 37 c HN 0.719 nan 8.230 nan 0.000 0.545 38 Y N -2.046 117.978 120.300 -0.461 0.000 2.478 38 Y HA 0.200 4.750 4.550 -0.000 0.000 0.261 38 Y C 0.441 176.223 175.900 -0.197 0.000 1.127 38 Y CA -0.208 57.708 58.100 -0.307 0.000 1.288 38 Y CB -0.451 37.911 38.460 -0.165 0.000 1.084 38 Y HN 0.198 nan 8.280 nan 0.000 0.530 39 Y N -0.791 119.484 120.300 -0.042 0.000 3.057 39 Y HA -0.191 4.359 4.550 -0.000 0.000 0.192 39 Y C -1.609 174.241 175.900 -0.084 0.000 1.448 39 Y CA -0.625 57.422 58.100 -0.089 0.000 1.065 39 Y CB -1.934 36.474 38.460 -0.086 0.000 1.369 39 Y HN 0.186 nan 8.280 nan 0.000 0.460 40 P HA -0.080 nan 4.420 nan 0.000 0.217 40 P C 0.471 177.765 177.300 -0.011 0.000 1.151 40 P CA 1.132 64.199 63.100 -0.055 0.000 0.828 40 P CB 0.187 31.711 31.700 -0.292 0.000 0.788 41 c N 2.717 121.307 118.600 -0.016 0.000 2.648 41 c HA 0.257 4.827 4.570 -0.000 0.000 0.415 41 c C 0.726 174.771 174.090 -0.074 0.000 1.366 41 c CA -0.432 55.899 56.329 0.004 0.000 1.756 41 c CB -0.849 41.683 42.510 0.037 0.000 2.549 41 c HN 0.304 nan 8.230 nan 0.000 0.597 42 Q N 1.767 121.484 119.800 -0.139 0.000 2.257 42 Q HA 0.302 4.642 4.340 -0.000 0.000 0.262 42 Q C 0.338 176.109 176.000 -0.382 0.000 0.997 42 Q CA -0.404 55.175 55.803 -0.374 0.000 0.873 42 Q CB 0.794 29.201 28.738 -0.551 0.000 1.312 42 Q HN 0.889 nan 8.270 nan 0.000 0.450 43 H N 1.354 120.286 119.070 -0.230 0.000 2.770 43 H HA -0.191 4.365 4.556 -0.000 0.000 0.309 43 H C -0.319 174.936 175.328 -0.121 0.000 1.206 43 H CA 1.030 56.939 56.048 -0.232 0.000 1.147 43 H CB -1.486 28.012 29.762 -0.439 0.000 1.422 43 H HN 0.821 nan 8.280 nan 0.000 0.420 44 Q N -3.263 116.507 119.800 -0.050 0.000 2.466 44 Q HA -0.133 4.207 4.340 -0.000 0.000 0.248 44 Q C 0.864 176.879 176.000 0.026 0.000 0.791 44 Q CA 0.984 56.776 55.803 -0.019 0.000 1.225 44 Q CB -1.350 27.383 28.738 -0.008 0.000 1.418 44 Q HN 0.741 nan 8.270 nan 0.000 0.662 45 G N 0.586 109.400 108.800 0.023 0.000 2.361 45 G HA2 0.422 4.382 3.960 -0.000 0.000 0.260 45 G HA3 0.422 4.382 3.960 -0.000 0.000 0.260 45 G C -0.084 174.860 174.900 0.072 0.000 1.261 45 G CA -0.490 44.647 45.100 0.061 0.000 0.897 45 G HN 0.089 nan 8.290 nan 0.000 0.499 46 I N 1.840 122.472 120.570 0.103 0.000 2.517 46 I HA 0.064 4.234 4.170 -0.000 0.000 0.285 46 I C 0.845 177.046 176.117 0.140 0.000 1.106 46 I CA -0.632 60.743 61.300 0.125 0.000 1.402 46 I CB 0.754 38.847 38.000 0.154 0.000 1.399 46 I HN 0.374 nan 8.210 nan 0.000 0.535 47 c N 8.168 126.837 118.600 0.115 0.000 2.388 47 c HA 0.793 5.363 4.570 -0.000 0.000 0.362 47 c C -0.174 174.019 174.090 0.172 0.000 1.266 47 c CA -0.220 56.190 56.329 0.135 0.000 2.028 47 c CB -0.550 41.979 42.510 0.032 0.000 2.440 47 c HN 0.627 nan 8.230 nan 0.000 0.547 48 V N 4.909 124.986 119.914 0.273 0.000 2.697 48 V HA 0.525 4.645 4.120 -0.000 0.000 0.300 48 V C -0.470 175.834 176.094 0.350 0.000 1.115 48 V CA -0.956 61.500 62.300 0.261 0.000 0.912 48 V CB 0.959 32.931 31.823 0.249 0.000 1.024 48 V HN 0.915 nan 8.190 nan 0.000 0.431 49 R N 3.101 123.714 120.500 0.188 0.000 2.570 49 R HA 0.549 4.889 4.340 -0.000 0.000 0.277 49 R C -1.288 175.048 176.300 0.061 0.000 1.039 49 R CA 0.397 56.608 56.100 0.184 0.000 1.065 49 R CB 0.405 30.760 30.300 0.093 0.000 0.964 49 R HN 0.685 nan 8.270 nan 0.000 0.428 50 F N 0.752 120.750 119.950 0.080 0.000 2.547 50 F HA 0.419 4.946 4.527 -0.000 0.000 0.316 50 F C 1.032 176.855 175.800 0.039 0.000 1.121 50 F CA 0.358 58.387 58.000 0.049 0.000 0.911 50 F CB 2.249 41.268 39.000 0.031 0.000 1.179 50 F HN 0.833 nan 8.300 nan 0.000 0.443 51 G N 2.672 111.562 108.800 0.150 0.000 2.539 51 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.256 51 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.256 51 G C 0.402 175.348 174.900 0.076 0.000 1.233 51 G CA 0.185 45.348 45.100 0.105 0.000 0.936 51 G HN 0.647 nan 8.290 nan 0.000 0.571 52 L N 0.595 121.861 121.223 0.071 0.000 2.286 52 L HA 0.266 4.606 4.340 -0.000 0.000 0.203 52 L C 2.120 179.035 176.870 0.074 0.000 1.068 52 L CA 1.513 56.389 54.840 0.061 0.000 0.811 52 L CB -0.146 41.942 42.059 0.048 0.000 0.989 52 L HN 0.721 nan 8.230 nan 0.000 0.467 53 D N -1.463 118.987 120.400 0.084 0.000 2.500 53 D HA 0.062 4.702 4.640 -0.000 0.000 0.217 53 D C 0.762 177.140 176.300 0.131 0.000 1.159 53 D CA -0.231 53.828 54.000 0.098 0.000 0.828 53 D CB 0.315 41.160 40.800 0.075 0.000 1.039 53 D HN 0.062 nan 8.370 nan 0.000 0.512 54 R N -0.139 120.444 120.500 0.137 0.000 2.553 54 R HA 0.566 4.906 4.340 -0.000 0.000 0.263 54 R C -0.748 175.710 176.300 0.263 0.000 1.066 54 R CA -0.775 55.409 56.100 0.139 0.000 1.135 54 R CB 0.969 31.314 30.300 0.076 0.000 1.148 54 R HN 0.163 nan 8.270 nan 0.000 0.558 55 Y N -2.068 118.310 120.300 0.130 0.000 2.625 55 Y HA 0.466 5.016 4.550 -0.000 0.000 0.338 55 Y C -1.614 174.348 175.900 0.104 0.000 1.123 55 Y CA -1.125 57.078 58.100 0.172 0.000 1.046 55 Y CB 1.671 40.203 38.460 0.120 0.000 1.299 55 Y HN 0.429 nan 8.280 nan 0.000 0.464 56 Q N 1.540 121.545 119.800 0.342 0.000 2.345 56 Q HA 0.614 4.954 4.340 -0.000 0.000 0.275 56 Q C -1.703 174.462 176.000 0.276 0.000 1.063 56 Q CA -0.896 54.963 55.803 0.094 0.000 0.819 56 Q CB 2.949 31.556 28.738 -0.218 0.000 1.356 56 Q HN 0.888 nan 8.270 nan 0.000 0.418 57 c N 1.055 119.771 118.600 0.193 0.000 2.358 57 c HA 0.356 4.926 4.570 -0.000 0.000 0.342 57 c C -0.007 174.157 174.090 0.123 0.000 1.234 57 c CA -0.341 56.101 56.329 0.187 0.000 1.969 57 c CB 0.651 43.271 42.510 0.183 0.000 2.346 57 c HN 0.734 nan 8.230 nan 0.000 0.525 58 D N 1.139 121.616 120.400 0.128 0.000 2.493 58 D HA 0.293 4.933 4.640 -0.000 0.000 0.235 58 D C 0.385 176.746 176.300 0.102 0.000 1.117 58 D CA -0.282 53.783 54.000 0.110 0.000 0.930 58 D CB 0.228 41.103 40.800 0.125 0.000 1.010 58 D HN 0.633 nan 8.370 nan 0.000 0.514 59 c N 1.915 120.574 118.600 0.099 0.000 2.551 59 c HA 0.094 4.664 4.570 -0.000 0.000 0.284 59 c C 0.935 175.089 174.090 0.107 0.000 1.329 59 c CA -0.341 56.058 56.329 0.116 0.000 1.683 59 c CB -1.878 40.715 42.510 0.137 0.000 1.730 59 c HN 0.462 nan 8.230 nan 0.000 0.591 60 T N 2.041 116.647 114.554 0.086 0.000 2.800 60 T HA -0.009 4.341 4.350 -0.000 0.000 0.283 60 T C 1.019 175.763 174.700 0.074 0.000 0.999 60 T CA 0.643 62.786 62.100 0.072 0.000 1.176 60 T CB -0.069 68.836 68.868 0.062 0.000 0.973 60 T HN 0.652 nan 8.240 nan 0.000 0.519 61 R N 0.234 120.775 120.500 0.069 0.000 3.989 61 R HA -0.292 4.048 4.340 -0.000 0.000 0.335 61 R C 1.987 178.342 176.300 0.091 0.000 1.223 61 R CA 1.328 57.468 56.100 0.066 0.000 0.962 61 R CB -2.465 27.863 30.300 0.047 0.000 1.393 61 R HN 0.930 nan 8.270 nan 0.000 0.554 62 T N -0.920 113.708 114.554 0.123 0.000 2.759 62 T HA 0.062 4.412 4.350 -0.000 0.000 0.269 62 T C 1.793 176.644 174.700 0.251 0.000 1.042 62 T CA 2.522 64.726 62.100 0.174 0.000 1.140 62 T CB -0.218 68.771 68.868 0.201 0.000 0.864 62 T HN 0.822 nan 8.240 nan 0.000 0.455 63 G N -1.540 107.385 108.800 0.208 0.000 2.179 63 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.220 63 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.220 63 G C -0.062 174.838 174.900 -0.000 0.000 0.990 63 G CA 0.132 45.304 45.100 0.119 0.000 0.646 63 G HN 0.651 nan 8.290 nan 0.000 0.517 64 Y N 0.454 120.773 120.300 0.032 0.000 2.576 64 Y HA 0.794 5.344 4.550 -0.000 0.000 0.346 64 Y C 0.550 176.485 175.900 0.059 0.000 1.018 64 Y CA -0.187 57.943 58.100 0.050 0.000 1.050 64 Y CB 1.802 40.319 38.460 0.096 0.000 1.280 64 Y HN 0.525 nan 8.280 nan 0.000 0.474 65 S N -0.187 115.629 115.700 0.193 0.000 2.677 65 S HA 0.905 5.375 4.470 -0.000 0.000 0.304 65 S C 0.094 174.767 174.600 0.122 0.000 1.108 65 S CA -0.407 57.864 58.200 0.119 0.000 0.944 65 S CB 1.559 64.794 63.200 0.058 0.000 1.127 65 S HN 1.556 nan 8.310 nan 0.000 0.511 66 G N 0.294 109.141 108.800 0.078 0.000 2.525 66 G HA2 0.153 4.113 3.960 -0.000 0.000 0.685 66 G HA3 0.153 4.113 3.960 -0.000 0.000 0.685 66 G C -2.338 172.594 174.900 0.052 0.000 1.290 66 G CA 0.035 45.172 45.100 0.061 0.000 0.915 66 G HN 0.553 nan 8.290 nan 0.000 0.548 67 P HA -0.040 nan 4.420 nan 0.000 0.214 67 P C 1.213 178.561 177.300 0.079 0.000 1.163 67 P CA 1.806 64.913 63.100 0.012 0.000 0.889 67 P CB 0.026 31.718 31.700 -0.012 0.000 0.790 68 N N -2.725 116.035 118.700 0.101 0.000 2.214 68 N HA 0.099 4.839 4.740 -0.000 0.000 0.214 68 N C -0.611 174.949 175.510 0.084 0.000 1.132 68 N CA -0.055 53.068 53.050 0.122 0.000 0.856 68 N CB -0.530 38.021 38.487 0.107 0.000 1.020 68 N HN 0.022 nan 8.380 nan 0.000 0.509 69 c N 0.863 119.531 118.600 0.113 0.000 4.234 69 c HA -0.095 4.475 4.570 -0.000 0.000 0.308 69 c C 0.655 174.856 174.090 0.185 0.000 1.286 69 c CA 0.634 57.059 56.329 0.160 0.000 2.102 69 c CB -3.035 39.545 42.510 0.117 0.000 1.311 69 c HN 0.566 nan 8.230 nan 0.000 0.689 70 T N -2.791 111.900 114.554 0.228 0.000 3.741 70 T HA 0.632 4.982 4.350 -0.000 0.000 0.242 70 T C -0.441 174.454 174.700 0.324 0.000 1.042 70 T CA -0.235 62.032 62.100 0.278 0.000 1.278 70 T CB -0.017 68.936 68.868 0.142 0.000 0.994 70 T HN 0.604 nan 8.240 nan 0.000 0.594 71 I N 2.779 123.593 120.570 0.407 0.000 2.576 71 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 71 I C -2.620 173.537 176.117 0.066 0.000 1.114 71 I CA -2.313 59.107 61.300 0.200 0.000 1.076 71 I CB 2.708 40.768 38.000 0.101 0.000 1.212 71 I HN 0.079 nan 8.210 nan 0.000 0.472 72 P HA 0.082 nan 4.420 nan 0.000 0.268 72 P C -0.482 176.698 177.300 -0.199 0.000 1.205 72 P CA 0.200 63.034 63.100 -0.442 0.000 0.771 72 P CB 0.912 32.487 31.700 -0.209 0.000 0.858 73 E N 1.321 121.398 120.200 -0.204 0.000 2.349 73 E HA 0.055 4.405 4.350 -0.000 0.000 0.262 73 E C 1.319 177.881 176.600 -0.065 0.000 1.088 73 E CA -0.699 55.645 56.400 -0.094 0.000 0.899 73 E CB 0.490 30.173 29.700 -0.029 0.000 1.044 73 E HN 0.315 nan 8.360 nan 0.000 0.420 74 I N 1.146 121.631 120.570 -0.142 0.000 2.130 74 I HA -0.344 3.826 4.170 -0.000 0.000 0.241 74 I C 1.417 177.448 176.117 -0.143 0.000 1.023 74 I CA 1.929 63.077 61.300 -0.253 0.000 1.293 74 I CB -0.226 37.485 38.000 -0.481 0.000 1.001 74 I HN 0.650 nan 8.210 nan 0.000 0.407 75 W N -0.058 121.271 121.300 0.049 0.000 2.381 75 W HA -0.187 4.473 4.660 -0.000 0.000 0.321 75 W C 2.963 179.490 176.519 0.014 0.000 1.196 75 W CA 1.824 59.194 57.345 0.041 0.000 1.304 75 W CB -1.408 28.054 29.460 0.002 0.000 1.166 75 W HN 0.161 nan 8.180 nan 0.000 0.473 76 T N -0.640 114.022 114.554 0.180 0.000 2.778 76 T HA -0.322 4.028 4.350 -0.000 0.000 0.269 76 T C 1.352 176.042 174.700 -0.017 0.000 1.050 76 T CA 1.988 64.088 62.100 -0.001 0.000 1.137 76 T CB -0.481 68.254 68.868 -0.223 0.000 0.860 76 T HN 0.350 nan 8.240 nan 0.000 0.468 77 W N 0.693 121.902 121.300 -0.153 0.000 2.388 77 W HA 0.083 4.743 4.660 -0.000 0.000 0.294 77 W C 1.888 178.368 176.519 -0.066 0.000 1.212 77 W CA 0.721 57.988 57.345 -0.129 0.000 1.271 77 W CB -0.406 28.968 29.460 -0.144 0.000 1.126 77 W HN 0.241 nan 8.180 nan 0.000 0.535 78 L N 0.798 122.035 121.223 0.024 0.000 1.994 78 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 78 L C 3.127 179.887 176.870 -0.184 0.000 1.071 78 L CA 2.261 57.005 54.840 -0.160 0.000 0.745 78 L CB -1.438 40.706 42.059 0.142 0.000 0.892 78 L HN 0.080 nan 8.230 nan 0.000 0.431 79 R N 0.265 120.745 120.500 -0.033 0.000 2.112 79 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 79 R C 2.145 178.378 176.300 -0.113 0.000 1.137 79 R CA 2.544 58.621 56.100 -0.039 0.000 0.944 79 R CB -2.501 27.803 30.300 0.007 0.000 0.857 79 R HN 0.660 nan 8.270 nan 0.000 0.435 80 T N -1.815 112.648 114.554 -0.152 0.000 2.962 80 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 80 T C 2.079 176.630 174.700 -0.248 0.000 1.088 80 T CA 1.861 63.867 62.100 -0.157 0.000 1.127 80 T CB -0.529 68.279 68.868 -0.100 0.000 0.883 80 T HN 0.697 nan 8.240 nan 0.000 0.493 81 T N 0.236 114.533 114.554 -0.429 0.000 2.939 81 T HA 0.251 4.601 4.350 -0.000 0.000 0.254 81 T C 1.687 176.212 174.700 -0.292 0.000 1.041 81 T CA 0.023 61.849 62.100 -0.457 0.000 1.142 81 T CB -0.565 67.811 68.868 -0.821 0.000 0.874 81 T HN 0.312 nan 8.240 nan 0.000 0.452 82 L N 1.464 122.538 121.223 -0.249 0.000 2.660 82 L HA 0.330 4.670 4.340 -0.000 0.000 0.238 82 L C 1.384 178.190 176.870 -0.107 0.000 1.161 82 L CA -0.434 54.314 54.840 -0.153 0.000 0.937 82 L CB -0.490 41.504 42.059 -0.110 0.000 1.122 82 L HN 0.338 nan 8.230 nan 0.000 0.435 83 R N 1.816 122.249 120.500 -0.113 0.000 2.229 83 R HA 0.514 4.854 4.340 -0.000 0.000 0.332 83 R C -2.457 173.807 176.300 -0.060 0.000 0.989 83 R CA -1.497 54.564 56.100 -0.065 0.000 0.842 83 R CB -0.892 29.375 30.300 -0.055 0.000 1.119 83 R HN 0.009 nan 8.270 nan 0.000 0.456 84 P HA 0.355 nan 4.420 nan 0.000 0.274 84 P C 0.027 177.350 177.300 0.038 0.000 1.246 84 P CA -0.219 62.867 63.100 -0.023 0.000 0.795 84 P CB 0.923 32.670 31.700 0.079 0.000 1.006 85 S N 1.568 117.289 115.700 0.036 0.000 2.549 85 S HA 0.176 4.646 4.470 -0.000 0.000 0.286 85 S C -1.291 173.387 174.600 0.131 0.000 1.314 85 S CA -0.852 57.386 58.200 0.064 0.000 1.062 85 S CB -0.711 62.518 63.200 0.048 0.000 0.865 85 S HN 0.263 nan 8.310 nan 0.000 0.498 86 P HA -0.125 nan 4.420 nan 0.000 0.218 86 P C 1.717 179.083 177.300 0.110 0.000 1.148 86 P CA 1.653 64.810 63.100 0.095 0.000 0.822 86 P CB 0.114 31.858 31.700 0.073 0.000 0.784 87 S N -1.514 114.242 115.700 0.093 0.000 2.419 87 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 87 S C 1.844 176.521 174.600 0.127 0.000 1.016 87 S CA 0.824 59.061 58.200 0.061 0.000 0.974 87 S CB -1.677 61.547 63.200 0.041 0.000 0.786 87 S HN 0.162 nan 8.310 nan 0.000 0.492 88 F N 2.629 122.590 119.950 0.019 0.000 2.179 88 F HA 0.165 4.692 4.527 -0.000 0.000 0.292 88 F C 2.781 178.644 175.800 0.105 0.000 1.089 88 F CA 0.986 59.012 58.000 0.043 0.000 1.295 88 F CB -0.456 38.536 39.000 -0.013 0.000 1.041 88 F HN 0.197 nan 8.300 nan 0.000 0.487 89 I N 0.171 120.737 120.570 -0.005 0.000 2.335 89 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 89 I C 2.374 178.370 176.117 -0.201 0.000 1.129 89 I CA 2.650 63.868 61.300 -0.136 0.000 1.402 89 I CB -2.044 35.960 38.000 0.007 0.000 1.069 89 I HN 0.579 nan 8.210 nan 0.000 0.424 90 H N -0.433 118.529 119.070 -0.181 0.000 2.321 90 H HA -0.209 4.347 4.556 -0.000 0.000 0.300 90 H C 1.958 177.143 175.328 -0.238 0.000 1.087 90 H CA 2.386 58.299 56.048 -0.225 0.000 1.319 90 H CB -0.494 29.143 29.762 -0.210 0.000 1.379 90 H HN 0.569 nan 8.280 nan 0.000 0.501 91 F N 0.290 120.070 119.950 -0.284 0.000 2.091 91 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 91 F C 1.731 177.322 175.800 -0.348 0.000 1.103 91 F CA 1.354 59.142 58.000 -0.354 0.000 1.228 91 F CB -0.600 38.145 39.000 -0.425 0.000 0.984 91 F HN 0.191 nan 8.300 nan 0.000 0.477 92 L N 0.343 121.254 121.223 -0.521 0.000 1.961 92 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 92 L C 2.447 179.239 176.870 -0.130 0.000 1.072 92 L CA 1.681 56.299 54.840 -0.371 0.000 0.749 92 L CB -1.417 40.482 42.059 -0.266 0.000 0.889 92 L HN 0.158 nan 8.230 nan 0.000 0.432 93 L N -0.601 120.439 121.223 -0.305 0.000 2.357 93 L HA -0.231 4.109 4.340 -0.000 0.000 0.220 93 L C 1.225 177.459 176.870 -1.060 0.000 1.123 93 L CA 1.586 55.984 54.840 -0.736 0.000 0.782 93 L CB -0.849 40.495 42.059 -1.192 0.000 0.910 93 L HN 0.525 nan 8.230 nan 0.000 0.442 94 T N -6.717 107.272 114.554 -0.942 0.000 3.252 94 T HA 0.208 4.558 4.350 -0.000 0.000 0.286 94 T C 0.553 174.476 174.700 -1.296 0.000 1.013 94 T CA -0.369 60.916 62.100 -1.359 0.000 0.914 94 T CB 0.140 68.464 68.868 -0.906 0.000 1.131 94 T HN 0.229 nan 8.240 nan 0.000 0.529 95 H N 0.367 119.004 119.070 -0.721 0.000 3.329 95 H HA 0.386 4.942 4.556 -0.000 0.000 0.234 95 H C 1.882 177.322 175.328 0.187 0.000 0.957 95 H CA -0.027 55.871 56.048 -0.249 0.000 1.066 95 H CB 0.026 29.358 29.762 -0.716 0.000 1.435 95 H HN 0.389 nan 8.280 nan 0.000 0.513 96 G N 1.254 110.330 108.800 0.461 0.000 3.090 96 G HA2 0.222 4.182 3.960 -0.000 0.000 0.259 96 G HA3 0.222 4.182 3.960 -0.000 0.000 0.259 96 G C 1.529 176.676 174.900 0.411 0.000 0.797 96 G CA 0.577 45.869 45.100 0.320 0.000 2.032 96 G HN 0.513 nan 8.290 nan 0.000 0.614 97 R N 0.899 121.496 120.500 0.163 0.000 2.191 97 R HA -0.236 4.104 4.340 -0.000 0.000 0.248 97 R C 1.934 178.246 176.300 0.020 0.000 1.127 97 R CA 2.287 58.294 56.100 -0.155 0.000 0.943 97 R CB -1.242 28.769 30.300 -0.481 0.000 0.891 97 R HN 0.632 nan 8.270 nan 0.000 0.439 98 W N -0.414 120.927 121.300 0.069 0.000 2.444 98 W HA 0.140 4.800 4.660 -0.000 0.000 0.308 98 W C 2.908 179.472 176.519 0.075 0.000 1.183 98 W CA 1.241 58.617 57.345 0.052 0.000 1.340 98 W CB -1.221 28.246 29.460 0.011 0.000 1.138 98 W HN 0.435 nan 8.180 nan 0.000 0.510 99 L N -1.013 120.356 121.223 0.242 0.000 2.089 99 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 99 L C 2.037 178.951 176.870 0.074 0.000 1.079 99 L CA 2.632 57.506 54.840 0.057 0.000 0.758 99 L CB -1.817 40.126 42.059 -0.192 0.000 0.891 99 L HN 0.198 nan 8.230 nan 0.000 0.433 100 W N -0.128 121.278 121.300 0.177 0.000 2.453 100 W HA 0.126 4.786 4.660 -0.000 0.000 0.289 100 W C 2.628 179.210 176.519 0.105 0.000 1.215 100 W CA 1.137 58.559 57.345 0.127 0.000 1.297 100 W CB -0.487 29.064 29.460 0.152 0.000 1.113 100 W HN 0.514 nan 8.180 nan 0.000 0.551 101 D N 0.068 120.675 120.400 0.345 0.000 2.218 101 D HA -0.232 4.408 4.640 -0.000 0.000 0.204 101 D C 1.464 177.909 176.300 0.241 0.000 0.976 101 D CA 1.369 55.512 54.000 0.239 0.000 0.853 101 D CB -0.774 40.162 40.800 0.226 0.000 0.939 101 D HN 0.300 nan 8.370 nan 0.000 0.481 102 F N 0.314 120.339 119.950 0.126 0.000 2.220 102 F HA 0.250 4.777 4.527 -0.000 0.000 0.290 102 F C 2.694 178.537 175.800 0.071 0.000 1.080 102 F CA 1.401 59.448 58.000 0.077 0.000 1.318 102 F CB 0.044 39.069 39.000 0.042 0.000 1.063 102 F HN 0.151 nan 8.300 nan 0.000 0.498 103 V N 0.674 120.533 119.914 -0.092 0.000 2.490 103 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 103 V C 1.991 178.018 176.094 -0.111 0.000 1.061 103 V CA 2.617 64.785 62.300 -0.221 0.000 1.064 103 V CB -0.903 30.895 31.823 -0.043 0.000 0.670 103 V HN 0.420 nan 8.190 nan 0.000 0.461 104 N N 0.388 119.117 118.700 0.047 0.000 2.381 104 N HA 0.032 4.772 4.740 -0.000 0.000 0.182 104 N C 1.580 177.086 175.510 -0.006 0.000 1.025 104 N CA 1.380 54.465 53.050 0.058 0.000 0.888 104 N CB 0.080 38.635 38.487 0.112 0.000 0.965 104 N HN 0.654 nan 8.380 nan 0.000 0.438 105 A N -0.255 122.528 122.820 -0.060 0.000 2.423 105 A HA 0.193 4.513 4.320 -0.000 0.000 0.246 105 A C 0.848 178.382 177.584 -0.083 0.000 1.278 105 A CA 0.108 52.117 52.037 -0.045 0.000 0.903 105 A CB -0.060 18.939 19.000 -0.001 0.000 0.997 105 A HN 0.304 nan 8.150 nan 0.000 0.510 106 T N -4.710 109.761 114.554 -0.138 0.000 2.804 106 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 106 T C 0.878 175.619 174.700 0.069 0.000 1.099 106 T CA -0.031 62.048 62.100 -0.034 0.000 1.011 106 T CB 0.324 69.101 68.868 -0.151 0.000 1.291 106 T HN 0.568 nan 8.240 nan 0.000 0.523 107 F N 0.355 120.237 119.950 -0.113 0.000 2.333 107 F HA 0.162 4.689 4.527 -0.000 0.000 0.300 107 F C 2.738 178.499 175.800 -0.065 0.000 1.083 107 F CA 0.640 58.598 58.000 -0.071 0.000 1.395 107 F CB -1.131 37.839 39.000 -0.051 0.000 1.056 107 F HN 0.455 nan 8.300 nan 0.000 0.529 108 I N 1.446 121.495 120.570 -0.867 0.000 2.908 108 I HA -0.217 3.953 4.170 -0.000 0.000 0.271 108 I C 2.575 178.515 176.117 -0.294 0.000 1.275 108 I CA 2.253 63.113 61.300 -0.733 0.000 1.446 108 I CB -1.490 36.164 38.000 -0.577 0.000 1.092 108 I HN 0.549 nan 8.210 nan 0.000 0.482 109 R N 0.155 120.553 120.500 -0.171 0.000 2.052 109 R HA -0.129 4.211 4.340 -0.000 0.000 0.224 109 R C 2.099 178.379 176.300 -0.033 0.000 1.149 109 R CA 1.723 57.797 56.100 -0.044 0.000 0.962 109 R CB -0.373 29.920 30.300 -0.012 0.000 0.856 109 R HN 0.594 nan 8.270 nan 0.000 0.433 110 D N 0.146 120.528 120.400 -0.030 0.000 2.144 110 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 110 D C 1.777 178.053 176.300 -0.041 0.000 0.984 110 D CA 1.804 55.790 54.000 -0.023 0.000 0.834 110 D CB -0.559 40.240 40.800 -0.001 0.000 0.955 110 D HN 0.307 nan 8.370 nan 0.000 0.465 111 T N 0.980 115.491 114.554 -0.072 0.000 2.720 111 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 111 T C 2.184 176.847 174.700 -0.062 0.000 1.037 111 T CA 0.743 62.794 62.100 -0.081 0.000 1.144 111 T CB -0.261 68.509 68.868 -0.163 0.000 0.864 111 T HN 0.152 nan 8.240 nan 0.000 0.444 112 L N -0.199 120.994 121.223 -0.050 0.000 2.023 112 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 112 L C 2.662 179.528 176.870 -0.006 0.000 1.073 112 L CA 0.961 55.796 54.840 -0.008 0.000 0.745 112 L CB -0.572 41.518 42.059 0.052 0.000 0.900 112 L HN 0.204 nan 8.230 nan 0.000 0.435 113 M N 0.193 119.790 119.600 -0.004 0.000 2.089 113 M HA -0.264 4.216 4.480 -0.000 0.000 0.257 113 M C 2.375 178.657 176.300 -0.031 0.000 1.071 113 M CA 1.813 57.110 55.300 -0.004 0.000 1.096 113 M CB -0.519 32.079 32.600 -0.004 0.000 1.330 113 M HN 0.022 nan 8.290 nan 0.000 0.403 114 R N -0.322 120.148 120.500 -0.049 0.000 2.189 114 R HA -0.117 4.223 4.340 -0.000 0.000 0.223 114 R C 1.953 178.208 176.300 -0.076 0.000 1.092 114 R CA 1.281 57.335 56.100 -0.077 0.000 0.989 114 R CB -0.393 29.864 30.300 -0.072 0.000 0.876 114 R HN 0.500 nan 8.270 nan 0.000 0.457 115 L N 0.029 121.222 121.223 -0.050 0.000 2.145 115 L HA -0.023 4.317 4.340 -0.000 0.000 0.201 115 L C 2.221 179.070 176.870 -0.035 0.000 1.075 115 L CA 0.984 55.798 54.840 -0.043 0.000 0.773 115 L CB -0.585 41.457 42.059 -0.028 0.000 0.936 115 L HN -0.104 nan 8.230 nan 0.000 0.451 116 V N -0.148 119.757 119.914 -0.015 0.000 2.324 116 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 116 V C 2.399 178.487 176.094 -0.011 0.000 1.060 116 V CA 2.216 64.520 62.300 0.007 0.000 1.042 116 V CB -0.222 31.623 31.823 0.038 0.000 0.650 116 V HN 0.428 nan 8.190 nan 0.000 0.450 117 L N -0.414 120.781 121.223 -0.046 0.000 1.913 117 L HA -0.173 4.167 4.340 -0.000 0.000 0.217 117 L C 2.783 179.570 176.870 -0.138 0.000 1.086 117 L CA 2.574 57.357 54.840 -0.096 0.000 0.772 117 L CB -1.517 40.447 42.059 -0.158 0.000 0.887 117 L HN 0.532 nan 8.230 nan 0.000 0.432 118 T N -1.492 112.941 114.554 -0.201 0.000 2.602 118 T HA -0.291 4.059 4.350 -0.000 0.000 0.264 118 T C 1.707 176.356 174.700 -0.085 0.000 1.085 118 T CA 2.199 64.185 62.100 -0.189 0.000 1.164 118 T CB -1.372 67.405 68.868 -0.151 0.000 0.860 118 T HN 0.126 nan 8.240 nan 0.000 0.442 119 V N 1.932 121.813 119.914 -0.055 0.000 2.255 119 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 119 V C 2.996 179.083 176.094 -0.012 0.000 1.051 119 V CA 2.326 64.611 62.300 -0.025 0.000 1.018 119 V CB -0.902 30.913 31.823 -0.013 0.000 0.641 119 V HN 0.340 nan 8.190 nan 0.000 0.445 120 R N 1.416 121.913 120.500 -0.005 0.000 2.103 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 120 R C 2.534 178.838 176.300 0.007 0.000 1.132 120 R CA 2.049 58.156 56.100 0.011 0.000 0.925 120 R CB -0.903 29.410 30.300 0.021 0.000 0.842 120 R HN 0.695 nan 8.270 nan 0.000 0.430 121 S N -0.306 115.409 115.700 0.025 0.000 2.595 121 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 121 S C 1.335 175.991 174.600 0.092 0.000 0.974 121 S CA 1.135 59.386 58.200 0.086 0.000 0.942 121 S CB -0.334 63.000 63.200 0.223 0.000 0.766 121 S HN 0.351 nan 8.310 nan 0.000 0.536 122 N N 0.846 119.567 118.700 0.036 0.000 2.422 122 N HA 0.219 4.959 4.740 -0.000 0.000 0.181 122 N C 1.103 176.595 175.510 -0.031 0.000 1.080 122 N CA 0.319 53.383 53.050 0.024 0.000 0.893 122 N CB -0.279 38.212 38.487 0.007 0.000 0.973 122 N HN 0.447 nan 8.380 nan 0.000 0.456 123 L N 0.202 121.382 121.223 -0.071 0.000 2.591 123 L HA 0.216 4.556 4.340 -0.000 0.000 0.228 123 L C -0.369 176.371 176.870 -0.218 0.000 1.133 123 L CA 0.078 54.813 54.840 -0.175 0.000 0.880 123 L CB 0.111 42.030 42.059 -0.233 0.000 1.033 123 L HN 0.132 nan 8.230 nan 0.000 0.450 124 I N 0.610 121.112 120.570 -0.112 0.000 2.355 124 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 124 I C -2.195 173.900 176.117 -0.038 0.000 0.999 124 I CA -2.576 58.682 61.300 -0.070 0.000 1.163 124 I CB 0.795 38.789 38.000 -0.009 0.000 1.316 124 I HN -0.225 nan 8.210 nan 0.000 0.454 125 P HA 0.119 nan 4.420 nan 0.000 0.265 125 P C -0.322 176.952 177.300 -0.044 0.000 1.193 125 P CA 0.151 63.225 63.100 -0.043 0.000 0.765 125 P CB 0.671 32.338 31.700 -0.054 0.000 0.823 126 S N 2.756 118.423 115.700 -0.055 0.000 2.652 126 S HA 0.405 4.875 4.470 -0.000 0.000 0.273 126 S C -2.747 171.821 174.600 -0.053 0.000 1.172 126 S CA -1.199 56.959 58.200 -0.070 0.000 1.009 126 S CB 0.408 63.534 63.200 -0.123 0.000 1.094 126 S HN 0.240 nan 8.310 nan 0.000 0.471 127 P HA 0.233 nan 4.420 nan 0.000 0.269 127 P C -2.649 174.637 177.300 -0.025 0.000 1.211 127 P CA -0.784 62.330 63.100 0.023 0.000 0.781 127 P CB -0.594 31.187 31.700 0.135 0.000 0.877 128 P HA -0.009 nan 4.420 nan 0.000 0.271 128 P C 0.588 177.794 177.300 -0.157 0.000 1.233 128 P CA 0.077 63.123 63.100 -0.091 0.000 0.789 128 P CB 0.500 32.137 31.700 -0.106 0.000 0.951 129 T N -1.539 112.855 114.554 -0.267 0.000 3.156 129 T HA 0.166 4.516 4.350 -0.000 0.000 0.236 129 T C 0.586 174.853 174.700 -0.721 0.000 0.978 129 T CA 0.569 62.294 62.100 -0.624 0.000 1.240 129 T CB -0.472 67.763 68.868 -1.055 0.000 0.951 129 T HN 0.403 nan 8.240 nan 0.000 0.420 130 Y N 2.254 122.555 120.300 0.001 0.000 2.833 130 Y HA 0.707 5.257 4.550 -0.000 0.000 0.319 130 Y C 0.003 175.857 175.900 -0.077 0.000 1.254 130 Y CA -1.289 56.792 58.100 -0.031 0.000 1.138 130 Y CB 1.000 39.445 38.460 -0.025 0.000 1.352 130 Y HN 0.488 nan 8.280 nan 0.000 0.546 131 N N -2.234 116.505 118.700 0.066 0.000 3.378 131 N HA 0.332 5.072 4.740 -0.000 0.000 0.294 131 N C 0.123 175.605 175.510 -0.047 0.000 1.544 131 N CA -0.148 52.860 53.050 -0.070 0.000 0.872 131 N CB -0.195 38.022 38.487 -0.450 0.000 1.670 131 N HN 0.628 nan 8.380 nan 0.000 0.551 132 I N -1.741 118.834 120.570 0.010 0.000 2.530 132 I HA 0.256 4.426 4.170 -0.000 0.000 0.257 132 I C 1.861 177.988 176.117 0.016 0.000 1.179 132 I CA 2.457 63.784 61.300 0.044 0.000 1.440 132 I CB -1.879 36.161 38.000 0.066 0.000 1.087 132 I HN 0.843 nan 8.210 nan 0.000 0.440 133 A N -2.311 120.468 122.820 -0.068 0.000 2.288 133 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 133 A C 0.777 178.021 177.584 -0.566 0.000 1.199 133 A CA 0.085 51.968 52.037 -0.255 0.000 0.891 133 A CB -0.028 18.856 19.000 -0.193 0.000 0.923 133 A HN 0.723 nan 8.150 nan 0.000 0.500 134 H N 0.135 119.065 119.070 -0.232 0.000 2.823 134 H HA 0.267 4.823 4.556 -0.000 0.000 0.332 134 H C -1.281 173.808 175.328 -0.398 0.000 0.980 134 H CA -0.693 55.083 56.048 -0.453 0.000 1.286 134 H CB 1.478 31.093 29.762 -0.246 0.000 1.541 134 H HN 0.112 nan 8.280 nan 0.000 0.521 135 D N 3.082 123.166 120.400 -0.528 0.000 2.460 135 D HA 0.052 4.692 4.640 -0.000 0.000 0.229 135 D C -0.180 175.929 176.300 -0.318 0.000 1.170 135 D CA 0.379 54.110 54.000 -0.448 0.000 0.827 135 D CB 0.028 40.625 40.800 -0.338 0.000 0.973 135 D HN 0.405 nan 8.370 nan 0.000 0.496 136 Y N -2.150 118.316 120.300 0.277 0.000 2.670 136 Y HA 0.443 4.993 4.550 -0.000 0.000 0.334 136 Y C -0.701 175.415 175.900 0.361 0.000 1.185 136 Y CA -2.297 56.026 58.100 0.372 0.000 1.053 136 Y CB -0.045 38.510 38.460 0.160 0.000 1.298 136 Y HN -0.259 nan 8.280 nan 0.000 0.459 137 I N 2.943 123.801 120.570 0.481 0.000 2.648 137 I HA 0.499 4.669 4.170 -0.000 0.000 0.284 137 I C -0.018 176.176 176.117 0.127 0.000 1.153 137 I CA 0.857 62.256 61.300 0.166 0.000 1.426 137 I CB 0.125 38.170 38.000 0.076 0.000 1.381 137 I HN 0.908 nan 8.210 nan 0.000 0.571 138 S N 7.152 122.882 115.700 0.049 0.000 2.552 138 S HA 0.170 4.640 4.470 -0.000 0.000 0.272 138 S C 0.158 174.773 174.600 0.025 0.000 1.150 138 S CA -0.859 57.337 58.200 -0.006 0.000 0.849 138 S CB 0.127 63.233 63.200 -0.156 0.000 1.113 138 S HN 0.867 nan 8.310 nan 0.000 0.458 139 W N 2.112 123.400 121.300 -0.021 0.000 2.388 139 W HA -0.049 4.611 4.660 -0.000 0.000 0.294 139 W C 1.475 178.068 176.519 0.124 0.000 1.212 139 W CA 1.961 59.343 57.345 0.061 0.000 1.271 139 W CB -0.159 29.315 29.460 0.024 0.000 1.126 139 W HN 0.937 nan 8.180 nan 0.000 0.535 140 E N 0.175 120.406 120.200 0.052 0.000 2.031 140 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 140 E C 2.258 178.824 176.600 -0.056 0.000 0.994 140 E CA 1.587 58.024 56.400 0.062 0.000 0.800 140 E CB -0.729 29.091 29.700 0.201 0.000 0.752 140 E HN 0.140 nan 8.360 nan 0.000 0.447 141 S N -0.122 115.514 115.700 -0.105 0.000 2.374 141 S HA -0.195 4.275 4.470 -0.000 0.000 0.227 141 S C 1.904 176.386 174.600 -0.197 0.000 1.037 141 S CA 1.383 59.484 58.200 -0.165 0.000 1.024 141 S CB -0.462 62.665 63.200 -0.122 0.000 0.861 141 S HN 0.334 nan 8.310 nan 0.000 0.456 142 F N 2.505 122.232 119.950 -0.372 0.000 2.075 142 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 142 F C 2.575 178.089 175.800 -0.477 0.000 1.113 142 F CA 2.141 59.852 58.000 -0.481 0.000 1.218 142 F CB -0.689 37.860 39.000 -0.752 0.000 0.984 142 F HN 0.388 nan 8.300 nan 0.000 0.472 143 S N -1.077 114.245 115.700 -0.629 0.000 2.486 143 S HA 0.019 4.489 4.470 -0.000 0.000 0.220 143 S C 1.018 175.507 174.600 -0.187 0.000 1.011 143 S CA 0.051 57.975 58.200 -0.459 0.000 0.921 143 S CB -0.666 62.397 63.200 -0.228 0.000 0.785 143 S HN 0.376 nan 8.310 nan 0.000 0.517 144 N N 2.832 121.499 118.700 -0.055 0.000 2.819 144 N HA 0.124 4.864 4.740 -0.000 0.000 0.284 144 N C 1.044 176.638 175.510 0.140 0.000 1.196 144 N CA -0.001 53.126 53.050 0.127 0.000 1.114 144 N CB 0.357 39.060 38.487 0.360 0.000 1.437 144 N HN 0.200 nan 8.380 nan 0.000 0.518 145 V N 1.721 121.657 119.914 0.037 0.000 2.527 145 V HA -0.312 3.808 4.120 -0.000 0.000 0.255 145 V C 2.760 178.969 176.094 0.192 0.000 1.081 145 V CA 2.254 64.603 62.300 0.081 0.000 1.092 145 V CB -1.606 30.259 31.823 0.070 0.000 0.673 145 V HN 0.685 nan 8.190 nan 0.000 0.470 146 S N -1.308 114.470 115.700 0.130 0.000 2.392 146 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 146 S C 0.865 175.459 174.600 -0.011 0.000 1.041 146 S CA 1.394 59.639 58.200 0.074 0.000 1.026 146 S CB -0.578 62.668 63.200 0.077 0.000 0.845 146 S HN 0.598 nan 8.310 nan 0.000 0.465 147 Y N -0.399 119.857 120.300 -0.074 0.000 2.326 147 Y HA 0.444 4.994 4.550 -0.000 0.000 0.333 147 Y C 0.479 176.353 175.900 -0.043 0.000 1.240 147 Y CA -0.654 57.281 58.100 -0.276 0.000 1.365 147 Y CB 0.333 38.651 38.460 -0.236 0.000 1.289 147 Y HN 0.229 nan 8.280 nan 0.000 0.548 148 Y N 0.293 120.622 120.300 0.048 0.000 2.392 148 Y HA 0.368 4.918 4.550 -0.000 0.000 0.323 148 Y C 0.620 176.564 175.900 0.074 0.000 1.291 148 Y CA -1.106 57.040 58.100 0.076 0.000 1.345 148 Y CB 1.447 39.923 38.460 0.027 0.000 1.320 148 Y HN 0.514 nan 8.280 nan 0.000 0.518 149 T N 1.691 116.389 114.554 0.240 0.000 2.916 149 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 149 T C -1.056 173.722 174.700 0.131 0.000 1.055 149 T CA -0.940 61.243 62.100 0.138 0.000 1.009 149 T CB 0.858 69.779 68.868 0.088 0.000 1.118 149 T HN 0.699 nan 8.240 nan 0.000 0.497 150 R N 2.987 123.588 120.500 0.168 0.000 2.832 150 R HA 0.592 4.932 4.340 -0.000 0.000 0.271 150 R C 0.534 177.013 176.300 0.297 0.000 0.996 150 R CA -1.044 55.189 56.100 0.221 0.000 0.977 150 R CB 0.783 31.204 30.300 0.201 0.000 1.168 150 R HN 0.389 nan 8.270 nan 0.000 0.482 151 I N 0.616 121.392 120.570 0.344 0.000 2.556 151 I HA 0.113 4.283 4.170 -0.000 0.000 0.251 151 I C 1.007 177.254 176.117 0.217 0.000 1.105 151 I CA 0.534 62.013 61.300 0.298 0.000 1.436 151 I CB -0.745 37.480 38.000 0.376 0.000 1.139 151 I HN 0.493 nan 8.210 nan 0.000 0.438 152 L N 2.227 123.525 121.223 0.126 0.000 2.344 152 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 152 L C -1.944 174.882 176.870 -0.074 0.000 1.035 152 L CA -1.662 53.120 54.840 -0.097 0.000 0.807 152 L CB 1.507 43.277 42.059 -0.482 0.000 1.237 152 L HN -0.085 nan 8.230 nan 0.000 0.442 153 P HA 0.112 nan 4.420 nan 0.000 0.296 153 P C -0.677 176.535 177.300 -0.146 0.000 1.295 153 P CA -0.366 62.509 63.100 -0.376 0.000 0.754 153 P CB 0.506 31.925 31.700 -0.468 0.000 1.311 154 S N -1.441 114.190 115.700 -0.115 0.000 2.738 154 S HA 0.328 4.798 4.470 -0.000 0.000 0.284 154 S C -0.176 174.443 174.600 0.031 0.000 1.146 154 S CA -0.783 57.407 58.200 -0.018 0.000 0.997 154 S CB 0.621 63.809 63.200 -0.019 0.000 1.081 154 S HN 0.191 nan 8.310 nan 0.000 0.553 155 V N 3.333 123.293 119.914 0.076 0.000 2.405 155 V HA 0.211 4.331 4.120 -0.000 0.000 0.264 155 V C -2.327 173.781 176.094 0.024 0.000 1.048 155 V CA -1.745 60.618 62.300 0.105 0.000 0.966 155 V CB -0.195 31.705 31.823 0.127 0.000 1.015 155 V HN 0.638 nan 8.190 nan 0.000 0.477 156 P HA -0.078 nan 4.420 nan 0.000 0.257 156 P C 1.116 178.400 177.300 -0.027 0.000 1.144 156 P CA 0.851 63.927 63.100 -0.040 0.000 0.761 156 P CB 0.350 32.005 31.700 -0.075 0.000 0.734 157 R N 3.922 124.414 120.500 -0.014 0.000 2.261 157 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 157 R C 0.931 177.227 176.300 -0.007 0.000 1.141 157 R CA 2.164 58.263 56.100 -0.003 0.000 1.001 157 R CB -1.245 29.057 30.300 0.003 0.000 0.866 157 R HN 0.729 nan 8.270 nan 0.000 0.468 158 D N -1.299 119.090 120.400 -0.017 0.000 2.894 158 D HA 0.171 4.811 4.640 -0.000 0.000 0.273 158 D C -0.834 175.442 176.300 -0.041 0.000 1.328 158 D CA -0.485 53.504 54.000 -0.018 0.000 0.845 158 D CB -1.005 39.790 40.800 -0.008 0.000 1.072 158 D HN 0.304 nan 8.370 nan 0.000 0.484 159 c N 0.571 119.137 118.600 -0.057 0.000 2.397 159 c HA 0.397 4.967 4.570 -0.000 0.000 0.343 159 c C -0.798 173.247 174.090 -0.074 0.000 1.188 159 c CA -1.079 55.190 56.329 -0.100 0.000 1.992 159 c CB 1.852 44.270 42.510 -0.153 0.000 2.358 159 c HN 0.214 nan 8.230 nan 0.000 0.518 160 P HA -0.047 nan 4.420 nan 0.000 0.202 160 P C 0.601 177.881 177.300 -0.033 0.000 1.121 160 P CA 1.816 64.883 63.100 -0.056 0.000 0.939 160 P CB -0.297 31.358 31.700 -0.076 0.000 0.761 161 T N -0.444 114.087 114.554 -0.038 0.000 2.898 161 T HA 0.157 4.507 4.350 -0.000 0.000 0.301 161 T C -1.441 173.268 174.700 0.015 0.000 1.049 161 T CA -1.232 60.870 62.100 0.005 0.000 1.095 161 T CB -0.517 68.365 68.868 0.023 0.000 0.976 161 T HN 0.042 nan 8.240 nan 0.000 0.539 162 P HA 0.006 nan 4.420 nan 0.000 0.237 162 P C 0.791 178.147 177.300 0.093 0.000 1.178 162 P CA 0.528 63.664 63.100 0.061 0.000 0.766 162 P CB 0.280 32.023 31.700 0.072 0.000 0.876 163 M N -1.936 117.730 119.600 0.110 0.000 2.461 163 M HA 0.273 4.753 4.480 -0.000 0.000 0.255 163 M C 1.428 177.826 176.300 0.163 0.000 1.137 163 M CA 0.625 56.024 55.300 0.164 0.000 1.086 163 M CB 0.092 32.810 32.600 0.196 0.000 1.356 163 M HN 0.117 nan 8.290 nan 0.000 0.487 164 G N -0.805 108.013 108.800 0.030 0.000 2.067 164 G HA2 0.013 3.973 3.960 -0.000 0.000 0.080 164 G HA3 0.013 3.973 3.960 -0.000 0.000 0.080 164 G C 0.761 175.511 174.900 -0.250 0.000 2.159 164 G CA 0.811 45.821 45.100 -0.151 0.000 1.192 164 G HN 0.297 nan 8.290 nan 0.000 0.351 165 T N -0.020 114.409 114.554 -0.208 0.000 3.048 165 T HA 0.545 4.895 4.350 -0.000 0.000 0.254 165 T C 0.757 175.420 174.700 -0.062 0.000 0.942 165 T CA 1.179 63.137 62.100 -0.237 0.000 0.931 165 T CB 0.329 68.920 68.868 -0.462 0.000 1.220 165 T HN 0.498 nan 8.240 nan 0.000 0.503 166 K N 0.852 121.257 120.400 0.009 0.000 2.156 166 K HA 0.666 4.986 4.320 -0.000 0.000 0.250 166 K C 0.181 176.841 176.600 0.099 0.000 0.955 166 K CA -0.461 55.866 56.287 0.067 0.000 0.855 166 K CB 2.037 34.594 32.500 0.094 0.000 1.101 166 K HN 0.544 nan 8.250 nan 0.000 0.434 167 G N -0.837 108.030 108.800 0.111 0.000 2.434 167 G HA2 0.130 4.090 3.960 -0.000 0.000 0.671 167 G HA3 0.130 4.090 3.960 -0.000 0.000 0.671 167 G C -1.227 173.732 174.900 0.098 0.000 1.280 167 G CA -0.536 44.647 45.100 0.139 0.000 0.975 167 G HN 0.676 nan 8.290 nan 0.000 0.510 168 K N -0.540 119.917 120.400 0.095 0.000 2.172 168 K HA 0.880 5.200 4.320 -0.000 0.000 0.276 168 K C 1.253 177.882 176.600 0.048 0.000 1.013 168 K CA 0.987 57.307 56.287 0.056 0.000 0.913 168 K CB 0.618 33.140 32.500 0.036 0.000 1.055 168 K HN 2.189 nan 8.250 nan 0.000 0.461 169 K N 0.319 120.739 120.400 0.034 0.000 2.664 169 K HA 0.297 4.617 4.320 -0.000 0.000 0.193 169 K C 0.880 177.495 176.600 0.025 0.000 1.028 169 K CA 1.721 58.025 56.287 0.028 0.000 1.005 169 K CB -1.112 31.399 32.500 0.019 0.000 0.815 169 K HN 1.428 nan 8.250 nan 0.000 0.496 170 Q N 0.200 120.013 119.800 0.021 0.000 2.295 170 Q HA 0.638 4.978 4.340 -0.000 0.000 0.259 170 Q C -0.384 175.613 176.000 -0.006 0.000 0.966 170 Q CA -0.718 55.090 55.803 0.009 0.000 0.763 170 Q CB 0.572 29.308 28.738 -0.004 0.000 1.283 170 Q HN 0.458 nan 8.270 nan 0.000 0.445 171 L N 2.513 123.739 121.223 0.005 0.000 2.439 171 L HA 0.374 4.714 4.340 -0.000 0.000 0.269 171 L C -1.811 175.006 176.870 -0.087 0.000 1.179 171 L CA -1.665 53.156 54.840 -0.032 0.000 0.828 171 L CB 0.808 42.894 42.059 0.046 0.000 1.106 171 L HN 0.526 nan 8.230 nan 0.000 0.467 172 P HA -0.022 nan 4.420 nan 0.000 0.263 172 P C -0.460 176.843 177.300 0.006 0.000 1.175 172 P CA 0.219 63.239 63.100 -0.134 0.000 0.761 172 P CB 0.172 31.708 31.700 -0.273 0.000 0.794 173 D N 3.141 123.570 120.400 0.048 0.000 2.419 173 D HA 0.187 4.827 4.640 -0.000 0.000 0.281 173 D C 1.598 177.982 176.300 0.140 0.000 1.398 173 D CA 0.490 54.533 54.000 0.071 0.000 1.047 173 D CB -0.091 40.725 40.800 0.027 0.000 1.115 173 D HN 0.469 nan 8.370 nan 0.000 0.540 174 A N 1.907 124.792 122.820 0.108 0.000 1.893 174 A HA -0.104 4.216 4.320 -0.000 0.000 0.222 174 A C 2.479 180.146 177.584 0.138 0.000 1.309 174 A CA 3.436 55.548 52.037 0.125 0.000 0.681 174 A CB -1.250 17.813 19.000 0.105 0.000 0.842 174 A HN 1.286 nan 8.150 nan 0.000 0.468 175 E N -1.702 118.573 120.200 0.126 0.000 2.160 175 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 175 E C 1.807 178.497 176.600 0.150 0.000 0.991 175 E CA 1.574 58.047 56.400 0.121 0.000 0.810 175 E CB -0.811 28.950 29.700 0.102 0.000 0.742 175 E HN 0.735 nan 8.360 nan 0.000 0.466 176 F N 0.706 120.654 119.950 -0.004 0.000 1.997 176 F HA -0.061 4.466 4.527 0.000 0.000 0.296 176 F C 2.226 177.986 175.800 -0.065 0.000 1.160 176 F CA 1.636 59.609 58.000 -0.045 0.000 1.176 176 F CB -0.952 38.019 39.000 -0.048 0.000 0.964 176 F HN 0.196 nan 8.300 nan 0.000 0.484 177 L N 0.574 121.785 121.223 -0.021 0.000 2.040 177 L HA -0.385 3.955 4.340 -0.000 0.000 0.228 177 L C 2.653 179.491 176.870 -0.054 0.000 1.092 177 L CA 2.453 57.291 54.840 -0.003 0.000 0.805 177 L CB -1.559 40.647 42.059 0.245 0.000 0.905 177 L HN 0.243 nan 8.230 nan 0.000 0.443 178 S N -1.432 114.284 115.700 0.027 0.000 2.380 178 S HA -0.316 4.154 4.470 -0.000 0.000 0.229 178 S C 2.265 176.836 174.600 -0.049 0.000 1.043 178 S CA 1.970 60.191 58.200 0.036 0.000 1.038 178 S CB -0.537 62.707 63.200 0.074 0.000 0.872 178 S HN 0.654 nan 8.310 nan 0.000 0.456 179 R N 1.138 121.558 120.500 -0.134 0.000 2.112 179 R HA 0.242 4.582 4.340 -0.000 0.000 0.216 179 R C 2.113 178.214 176.300 -0.332 0.000 1.080 179 R CA 0.777 56.778 56.100 -0.165 0.000 0.996 179 R CB -0.860 29.373 30.300 -0.111 0.000 0.902 179 R HN 0.154 nan 8.270 nan 0.000 0.449 180 R N -0.787 119.318 120.500 -0.659 0.000 2.081 180 R HA 0.061 4.401 4.340 -0.000 0.000 0.235 180 R C 1.409 177.114 176.300 -0.992 0.000 1.131 180 R CA 1.863 57.306 56.100 -1.095 0.000 0.960 180 R CB -0.308 28.798 30.300 -1.990 0.000 0.856 180 R HN 0.599 nan 8.270 nan 0.000 0.436 181 F N -1.894 117.948 119.950 -0.180 0.000 2.699 181 F HA 0.185 4.712 4.527 -0.000 0.000 0.295 181 F C 1.882 177.627 175.800 -0.091 0.000 1.052 181 F CA -0.211 57.717 58.000 -0.121 0.000 1.239 181 F CB 0.030 38.966 39.000 -0.107 0.000 1.018 181 F HN -0.210 nan 8.300 nan 0.000 0.627 182 L N 0.483 121.756 121.223 0.082 0.000 2.463 182 L HA 0.187 4.527 4.340 -0.000 0.000 0.219 182 L C 0.399 177.286 176.870 0.028 0.000 1.088 182 L CA -0.077 54.793 54.840 0.049 0.000 0.849 182 L CB 0.005 42.100 42.059 0.061 0.000 1.012 182 L HN 0.080 nan 8.230 nan 0.000 0.468 183 L N 2.057 123.276 121.223 -0.008 0.000 2.534 183 L HA 0.077 4.417 4.340 -0.000 0.000 0.271 183 L C 0.893 177.753 176.870 -0.017 0.000 1.178 183 L CA 0.303 55.136 54.840 -0.011 0.000 0.907 183 L CB 0.121 42.156 42.059 -0.040 0.000 1.164 183 L HN 0.119 nan 8.230 nan 0.000 0.482 184 R N 4.383 124.878 120.500 -0.008 0.000 2.756 184 R HA 0.117 4.457 4.340 -0.000 0.000 0.264 184 R C 0.236 176.513 176.300 -0.039 0.000 1.026 184 R CA 0.186 56.280 56.100 -0.010 0.000 1.121 184 R CB 0.478 30.778 30.300 0.001 0.000 0.999 184 R HN 0.798 nan 8.270 nan 0.000 0.449 185 R N 2.159 122.646 120.500 -0.022 0.000 2.712 185 R HA 0.200 4.540 4.340 -0.000 0.000 0.132 185 R C -0.131 176.163 176.300 -0.010 0.000 1.923 185 R CA 0.410 56.493 56.100 -0.029 0.000 1.539 185 R CB -1.025 29.262 30.300 -0.023 0.000 1.362 185 R HN 0.499 nan 8.270 nan 0.000 0.472 186 K N 2.039 122.444 120.400 0.009 0.000 2.156 186 K HA 0.341 4.661 4.320 -0.000 0.000 0.271 186 K C -0.592 176.058 176.600 0.085 0.000 0.995 186 K CA -0.600 55.711 56.287 0.039 0.000 0.890 186 K CB -0.003 32.507 32.500 0.016 0.000 1.073 186 K HN 0.325 nan 8.250 nan 0.000 0.454 187 F N 2.452 122.374 119.950 -0.046 0.000 2.502 187 F HA 0.423 4.950 4.527 -0.000 0.000 0.361 187 F C 0.583 176.360 175.800 -0.039 0.000 1.157 187 F CA -0.504 57.471 58.000 -0.043 0.000 1.096 187 F CB -0.315 38.660 39.000 -0.042 0.000 1.141 187 F HN 0.610 nan 8.300 nan 0.000 0.579 188 I N 8.414 128.773 120.570 -0.351 0.000 2.281 188 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 188 I C -2.246 173.432 176.117 -0.731 0.000 1.085 188 I CA -2.503 58.538 61.300 -0.431 0.000 1.257 188 I CB -0.368 37.502 38.000 -0.217 0.000 1.430 188 I HN 0.464 nan 8.210 nan 0.000 0.489 189 P HA 0.211 nan 4.420 nan 0.000 0.274 189 P C -0.562 176.506 177.300 -0.386 0.000 1.237 189 P CA -0.086 62.522 63.100 -0.821 0.000 0.793 189 P CB 0.883 32.184 31.700 -0.664 0.000 0.977 190 D N 2.395 122.633 120.400 -0.270 0.000 2.412 190 D HA 0.009 4.649 4.640 -0.000 0.000 0.257 190 D C -0.994 175.187 176.300 -0.198 0.000 1.217 190 D CA -1.521 52.342 54.000 -0.228 0.000 0.897 190 D CB 0.261 40.925 40.800 -0.228 0.000 1.132 190 D HN 0.179 nan 8.370 nan 0.000 0.493 191 P HA -0.182 nan 4.420 nan 0.000 0.222 191 P C 0.648 177.861 177.300 -0.144 0.000 1.147 191 P CA 1.041 64.052 63.100 -0.148 0.000 0.790 191 P CB 0.235 31.857 31.700 -0.130 0.000 0.780 192 Q N -0.943 118.744 119.800 -0.188 0.000 2.482 192 Q HA 0.145 4.485 4.340 -0.000 0.000 0.209 192 Q C 1.322 177.225 176.000 -0.162 0.000 0.961 192 Q CA 0.675 56.360 55.803 -0.197 0.000 0.945 192 Q CB -0.319 28.247 28.738 -0.287 0.000 1.012 192 Q HN 0.322 nan 8.270 nan 0.000 0.515 193 G N 0.980 109.708 108.800 -0.120 0.000 2.176 193 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 193 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 193 G C 0.314 175.210 174.900 -0.006 0.000 0.979 193 G CA 0.225 45.302 45.100 -0.039 0.000 0.641 193 G HN 0.337 nan 8.290 nan 0.000 0.530 194 T N 1.557 116.041 114.554 -0.117 0.000 2.906 194 T HA 0.418 4.768 4.350 -0.000 0.000 0.320 194 T C 0.545 175.251 174.700 0.009 0.000 1.088 194 T CA 0.877 62.891 62.100 -0.143 0.000 1.120 194 T CB 1.005 69.651 68.868 -0.370 0.000 1.000 194 T HN 1.006 nan 8.240 nan 0.000 0.550 195 N N 0.642 119.412 118.700 0.116 0.000 2.629 195 N HA 0.303 5.043 4.740 -0.000 0.000 0.279 195 N C 0.520 176.149 175.510 0.199 0.000 1.344 195 N CA -1.261 51.885 53.050 0.160 0.000 0.789 195 N CB 0.509 39.110 38.487 0.191 0.000 1.508 195 N HN 0.396 nan 8.380 nan 0.000 0.516 196 L N -0.635 120.645 121.223 0.094 0.000 2.201 196 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 196 L C 2.015 178.897 176.870 0.020 0.000 1.105 196 L CA 0.799 55.563 54.840 -0.127 0.000 0.775 196 L CB -0.356 41.519 42.059 -0.306 0.000 0.913 196 L HN 0.544 nan 8.230 nan 0.000 0.440 197 M N -0.449 119.350 119.600 0.331 0.000 2.202 197 M HA -0.251 4.229 4.480 -0.000 0.000 0.262 197 M C 2.141 178.833 176.300 0.652 0.000 1.063 197 M CA 1.840 57.432 55.300 0.486 0.000 1.097 197 M CB -0.726 32.095 32.600 0.368 0.000 1.382 197 M HN 0.219 nan 8.290 nan 0.000 0.413 198 F N 0.373 120.628 119.950 0.508 0.000 2.118 198 F HA 0.034 4.561 4.527 -0.000 0.000 0.293 198 F C 2.166 178.198 175.800 0.386 0.000 1.102 198 F CA 1.547 59.919 58.000 0.620 0.000 1.247 198 F CB -0.620 38.580 39.000 0.332 0.000 1.017 198 F HN 0.135 nan 8.300 nan 0.000 0.475 199 A N 0.806 123.824 122.820 0.331 0.000 1.903 199 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 199 A C 2.067 179.685 177.584 0.058 0.000 1.191 199 A CA 2.293 54.392 52.037 0.104 0.000 0.638 199 A CB -1.608 17.322 19.000 -0.117 0.000 0.823 199 A HN 0.468 nan 8.150 nan 0.000 0.451 200 F N -1.408 118.678 119.950 0.226 0.000 2.113 200 F HA -0.046 4.481 4.527 -0.000 0.000 0.297 200 F C 2.100 178.083 175.800 0.306 0.000 1.103 200 F CA 0.620 58.769 58.000 0.247 0.000 1.248 200 F CB -1.306 37.828 39.000 0.223 0.000 0.999 200 F HN 0.355 nan 8.300 nan 0.000 0.475 201 F N 0.719 120.896 119.950 0.378 0.000 2.065 201 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 201 F C 2.433 178.144 175.800 -0.149 0.000 1.112 201 F CA 1.534 59.398 58.000 -0.227 0.000 1.212 201 F CB -0.395 38.580 39.000 -0.042 0.000 0.975 201 F HN -0.032 nan 8.300 nan 0.000 0.476 202 A N 0.032 122.978 122.820 0.210 0.000 1.869 202 A HA -0.379 3.941 4.320 -0.000 0.000 0.218 202 A C 2.112 179.714 177.584 0.029 0.000 1.203 202 A CA 2.293 54.401 52.037 0.119 0.000 0.638 202 A CB -1.399 17.627 19.000 0.043 0.000 0.831 202 A HN 0.658 nan 8.150 nan 0.000 0.450 203 Q N -1.322 118.489 119.800 0.018 0.000 1.975 203 Q HA -0.287 4.053 4.340 -0.000 0.000 0.205 203 Q C 2.001 177.909 176.000 -0.154 0.000 0.990 203 Q CA 2.278 57.999 55.803 -0.136 0.000 0.845 203 Q CB -0.402 28.363 28.738 0.045 0.000 0.913 203 Q HN 0.893 nan 8.270 nan 0.000 0.420 204 H N -0.914 118.099 119.070 -0.094 0.000 2.296 204 H HA -0.269 4.287 4.556 -0.000 0.000 0.291 204 H C 1.862 177.055 175.328 -0.225 0.000 1.074 204 H CA 2.285 58.262 56.048 -0.118 0.000 1.176 204 H CB -0.581 29.001 29.762 -0.299 0.000 1.357 204 H HN 0.401 nan 8.280 nan 0.000 0.520 205 F N 1.565 121.403 119.950 -0.187 0.000 2.048 205 F HA -0.364 4.163 4.527 0.000 0.000 0.296 205 F C 2.894 178.245 175.800 -0.748 0.000 1.109 205 F CA 2.999 60.734 58.000 -0.442 0.000 1.214 205 F CB -1.262 37.633 39.000 -0.176 0.000 0.963 205 F HN 0.474 nan 8.300 nan 0.000 0.491 206 T N -2.989 111.067 114.554 -0.831 0.000 2.897 206 T HA -0.276 4.074 4.350 -0.000 0.000 0.271 206 T C 1.648 175.622 174.700 -1.211 0.000 1.084 206 T CA 2.033 63.373 62.100 -1.266 0.000 1.123 206 T CB -1.232 67.131 68.868 -0.843 0.000 0.865 206 T HN 0.668 nan 8.240 nan 0.000 0.496 207 H N 1.223 119.853 119.070 -0.733 0.000 2.547 207 H HA 0.066 4.622 4.556 -0.000 0.000 0.272 207 H C 2.591 177.538 175.328 -0.637 0.000 0.989 207 H CA 0.851 56.592 56.048 -0.513 0.000 1.214 207 H CB 0.066 29.669 29.762 -0.265 0.000 1.389 207 H HN 0.681 nan 8.280 nan 0.000 0.577 208 Q N 0.711 119.992 119.800 -0.865 0.000 2.297 208 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 208 Q C 0.778 176.515 176.000 -0.438 0.000 0.962 208 Q CA 1.410 56.848 55.803 -0.609 0.000 0.879 208 Q CB -0.132 28.197 28.738 -0.683 0.000 0.947 208 Q HN 0.623 nan 8.270 nan 0.000 0.462 209 F N -2.838 116.845 119.950 -0.445 0.000 2.740 209 F HA 0.442 4.969 4.527 -0.000 0.000 0.304 209 F C -0.019 175.575 175.800 -0.342 0.000 1.098 209 F CA -1.096 56.643 58.000 -0.435 0.000 1.258 209 F CB 0.322 38.989 39.000 -0.555 0.000 1.061 209 F HN -0.211 nan 8.300 nan 0.000 0.598 210 F N 3.492 123.402 119.950 -0.067 0.000 2.335 210 F HA 0.505 5.032 4.527 -0.000 0.000 0.365 210 F C 0.116 175.938 175.800 0.036 0.000 1.122 210 F CA -1.233 56.799 58.000 0.053 0.000 1.151 210 F CB 0.795 39.758 39.000 -0.062 0.000 1.282 210 F HN -0.077 nan 8.300 nan 0.000 0.513 211 K N 2.427 122.967 120.400 0.234 0.000 2.803 211 K HA 0.241 4.561 4.320 -0.000 0.000 0.229 211 K C -0.758 175.835 176.600 -0.011 0.000 1.084 211 K CA -0.182 56.122 56.287 0.028 0.000 1.063 211 K CB 1.095 33.547 32.500 -0.081 0.000 1.254 211 K HN 0.471 nan 8.250 nan 0.000 0.551 212 T N 0.879 115.457 114.554 0.039 0.000 2.904 212 T HA 0.172 4.522 4.350 -0.000 0.000 0.290 212 T C 0.317 174.988 174.700 -0.049 0.000 1.018 212 T CA -0.454 61.643 62.100 -0.006 0.000 1.075 212 T CB 1.233 70.154 68.868 0.089 0.000 0.986 212 T HN 0.487 nan 8.240 nan 0.000 0.523 213 S N 0.570 116.235 115.700 -0.059 0.000 2.482 213 S HA 0.569 5.039 4.470 -0.000 0.000 0.303 213 S C 1.320 175.885 174.600 -0.058 0.000 1.091 213 S CA -0.600 57.559 58.200 -0.068 0.000 1.057 213 S CB 1.636 64.782 63.200 -0.089 0.000 1.031 213 S HN 0.818 nan 8.310 nan 0.000 0.485 214 G N 2.003 110.769 108.800 -0.056 0.000 2.484 214 G HA2 0.046 4.006 3.960 -0.000 0.000 0.218 214 G HA3 0.046 4.006 3.960 -0.000 0.000 0.218 214 G C 1.386 176.242 174.900 -0.072 0.000 1.130 214 G CA 0.737 45.808 45.100 -0.049 0.000 0.784 214 G HN 1.023 nan 8.290 nan 0.000 0.543 215 K N 0.935 121.281 120.400 -0.089 0.000 1.971 215 K HA 0.019 4.339 4.320 -0.000 0.000 0.221 215 K C 2.350 178.839 176.600 -0.185 0.000 1.050 215 K CA 1.891 58.108 56.287 -0.118 0.000 0.967 215 K CB -0.849 31.582 32.500 -0.115 0.000 0.733 215 K HN 0.359 nan 8.250 nan 0.000 0.445 216 M N -0.815 118.623 119.600 -0.270 0.000 2.419 216 M HA 0.198 4.678 4.480 -0.000 0.000 0.264 216 M C 1.293 177.352 176.300 -0.402 0.000 1.082 216 M CA 0.925 55.910 55.300 -0.525 0.000 1.119 216 M CB 0.055 32.144 32.600 -0.852 0.000 1.398 216 M HN 0.802 nan 8.290 nan 0.000 0.453 217 G N 0.104 108.809 108.800 -0.158 0.000 2.610 217 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.304 217 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.304 217 G C -3.016 171.956 174.900 0.121 0.000 1.309 217 G CA -1.419 43.670 45.100 -0.018 0.000 0.906 217 G HN 0.066 nan 8.290 nan 0.000 0.521 218 P HA 0.384 nan 4.420 nan 0.000 0.268 218 P C 1.085 178.538 177.300 0.255 0.000 1.208 218 P CA 2.226 65.427 63.100 0.169 0.000 0.777 218 P CB 0.643 32.416 31.700 0.123 0.000 0.875 219 G N -0.430 108.507 108.800 0.227 0.000 2.176 219 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 219 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 219 G C -0.127 174.656 174.900 -0.195 0.000 0.979 219 G CA -0.372 44.809 45.100 0.135 0.000 0.641 219 G HN 0.386 nan 8.290 nan 0.000 0.530 220 F N -0.404 119.441 119.950 -0.174 0.000 2.639 220 F HA 0.853 5.380 4.527 -0.000 0.000 0.339 220 F C 0.484 175.857 175.800 -0.711 0.000 1.071 220 F CA -0.151 57.627 58.000 -0.372 0.000 0.994 220 F CB 2.369 41.191 39.000 -0.295 0.000 1.341 220 F HN 0.082 nan 8.300 nan 0.000 0.498 221 T N -0.156 114.138 114.554 -0.434 0.000 3.041 221 T HA 0.295 4.645 4.350 -0.000 0.000 0.321 221 T C 0.089 174.642 174.700 -0.245 0.000 1.184 221 T CA -0.652 61.127 62.100 -0.535 0.000 1.050 221 T CB 1.415 69.740 68.868 -0.905 0.000 1.159 221 T HN 0.641 nan 8.240 nan 0.000 0.469 222 K N 2.222 122.514 120.400 -0.181 0.000 2.044 222 K HA 0.236 4.556 4.320 -0.000 0.000 0.204 222 K C 1.326 177.858 176.600 -0.113 0.000 1.049 222 K CA 0.771 56.986 56.287 -0.119 0.000 0.945 222 K CB -0.078 32.361 32.500 -0.101 0.000 0.724 222 K HN 0.651 nan 8.250 nan 0.000 0.440 223 A N 3.143 125.885 122.820 -0.131 0.000 3.017 223 A HA 0.097 4.417 4.320 -0.000 0.000 0.283 223 A C 0.357 177.853 177.584 -0.145 0.000 1.892 223 A CA 0.207 52.175 52.037 -0.115 0.000 1.469 223 A CB -1.177 17.759 19.000 -0.106 0.000 0.999 223 A HN 0.162 nan 8.150 nan 0.000 0.605 224 L N 0.424 121.612 121.223 -0.058 0.000 2.470 224 L HA 0.452 4.792 4.340 -0.000 0.000 0.243 224 L C 1.887 178.848 176.870 0.151 0.000 1.227 224 L CA 0.547 55.426 54.840 0.064 0.000 0.824 224 L CB -0.097 42.006 42.059 0.072 0.000 1.175 224 L HN 0.802 nan 8.230 nan 0.000 0.503 225 G N -1.753 107.219 108.800 0.286 0.000 2.417 225 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.233 225 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.233 225 G C 0.196 175.251 174.900 0.259 0.000 1.103 225 G CA 0.202 45.413 45.100 0.184 0.000 0.647 225 G HN 0.882 nan 8.290 nan 0.000 0.512 226 H N 0.675 119.759 119.070 0.023 0.000 2.883 226 H HA 0.092 4.648 4.556 -0.000 0.000 0.275 226 H C 1.119 176.438 175.328 -0.016 0.000 0.761 226 H CA 1.712 57.770 56.048 0.017 0.000 0.870 226 H CB -0.998 28.762 29.762 -0.003 0.000 1.492 226 H HN 2.324 nan 8.280 nan 0.000 0.288 227 G N 0.365 109.218 108.800 0.090 0.000 2.331 227 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.479 227 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.479 227 G C -0.287 174.735 174.900 0.203 0.000 1.262 227 G CA -0.500 44.608 45.100 0.014 0.000 1.029 227 G HN 0.909 nan 8.290 nan 0.000 0.487 228 V N 0.128 120.146 119.914 0.174 0.000 2.242 228 V HA 0.418 4.538 4.120 -0.000 0.000 0.242 228 V C 0.773 176.959 176.094 0.153 0.000 1.240 228 V CA 0.973 63.390 62.300 0.195 0.000 1.211 228 V CB 0.089 32.071 31.823 0.265 0.000 1.338 228 V HN 0.860 nan 8.190 nan 0.000 0.499 229 D N 2.589 123.068 120.400 0.132 0.000 2.469 229 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 229 D C 0.775 177.161 176.300 0.142 0.000 1.135 229 D CA -0.581 53.493 54.000 0.125 0.000 0.834 229 D CB 0.297 41.161 40.800 0.106 0.000 1.009 229 D HN 0.257 nan 8.370 nan 0.000 0.507 230 L N 0.351 121.662 121.223 0.148 0.000 4.232 230 L HA -0.126 4.214 4.340 -0.000 0.000 0.415 230 L C 1.448 178.294 176.870 -0.040 0.000 1.168 230 L CA 0.722 55.589 54.840 0.044 0.000 0.966 230 L CB -2.076 39.901 42.059 -0.136 0.000 2.052 230 L HN 0.379 nan 8.230 nan 0.000 0.887 231 G N -0.388 108.475 108.800 0.106 0.000 3.352 231 G HA2 0.083 4.043 3.960 -0.000 0.000 0.236 231 G HA3 0.083 4.043 3.960 -0.000 0.000 0.236 231 G C 0.927 175.811 174.900 -0.027 0.000 1.324 231 G CA 0.544 45.661 45.100 0.027 0.000 1.404 231 G HN 0.819 nan 8.290 nan 0.000 0.542 232 H N -2.261 116.683 119.070 -0.211 0.000 3.007 232 H HA 0.365 4.921 4.556 -0.000 0.000 0.251 232 H C 0.640 175.850 175.328 -0.196 0.000 1.188 232 H CA -0.413 55.461 56.048 -0.291 0.000 1.017 232 H CB -0.068 29.529 29.762 -0.275 0.000 1.805 232 H HN 0.416 nan 8.280 nan 0.000 0.659 233 I N -0.659 119.583 120.570 -0.547 0.000 3.493 233 I HA 0.016 4.186 4.170 -0.000 0.000 0.262 233 I C 0.767 176.614 176.117 -0.449 0.000 1.085 233 I CA -0.256 60.679 61.300 -0.609 0.000 1.692 233 I CB -0.005 37.363 38.000 -1.054 0.000 1.712 233 I HN -0.089 nan 8.210 nan 0.000 0.412 234 Y N 2.790 123.036 120.300 -0.089 0.000 2.619 234 Y HA 0.346 4.896 4.550 -0.000 0.000 0.308 234 Y C 1.282 177.173 175.900 -0.015 0.000 1.192 234 Y CA 0.385 58.488 58.100 0.006 0.000 1.319 234 Y CB -1.103 37.389 38.460 0.052 0.000 1.030 234 Y HN 0.356 nan 8.280 nan 0.000 0.517 235 G N 1.150 109.950 108.800 -0.000 0.000 2.755 235 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.686 235 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.686 235 G C 0.106 175.000 174.900 -0.011 0.000 1.427 235 G CA -0.186 44.900 45.100 -0.023 0.000 0.873 235 G HN 0.492 nan 8.290 nan 0.000 0.580 236 D N 0.146 120.521 120.400 -0.042 0.000 2.358 236 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 236 D C 0.483 176.762 176.300 -0.035 0.000 1.123 236 D CA 0.397 54.375 54.000 -0.037 0.000 0.833 236 D CB -0.219 40.544 40.800 -0.062 0.000 0.946 236 D HN 0.781 nan 8.370 nan 0.000 0.505 237 N N -0.002 118.674 118.700 -0.039 0.000 2.598 237 N HA -0.009 4.731 4.740 -0.000 0.000 0.263 237 N C 0.351 175.806 175.510 -0.091 0.000 1.254 237 N CA -0.677 52.341 53.050 -0.053 0.000 0.863 237 N CB 1.761 40.219 38.487 -0.047 0.000 1.586 237 N HN -0.120 nan 8.380 nan 0.000 0.491 238 L N 1.827 122.967 121.223 -0.138 0.000 2.012 238 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 238 L C 2.696 179.334 176.870 -0.386 0.000 1.073 238 L CA 3.206 57.860 54.840 -0.310 0.000 0.748 238 L CB -1.243 40.617 42.059 -0.331 0.000 0.891 238 L HN 0.892 nan 8.230 nan 0.000 0.431 239 E N 0.051 120.152 120.200 -0.165 0.000 2.035 239 E HA -0.367 3.983 4.350 -0.000 0.000 0.204 239 E C 2.442 179.056 176.600 0.024 0.000 1.025 239 E CA 2.018 58.411 56.400 -0.012 0.000 0.835 239 E CB -1.067 28.642 29.700 0.015 0.000 0.764 239 E HN 0.595 nan 8.360 nan 0.000 0.457 240 R N 0.122 120.618 120.500 -0.006 0.000 2.133 240 R HA -0.271 4.069 4.340 -0.000 0.000 0.247 240 R C 2.703 179.029 176.300 0.044 0.000 1.151 240 R CA 2.244 58.352 56.100 0.013 0.000 0.971 240 R CB -0.273 30.017 30.300 -0.016 0.000 0.866 240 R HN 0.681 nan 8.270 nan 0.000 0.447 241 Q N -0.458 119.350 119.800 0.014 0.000 1.993 241 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 241 Q C 1.853 177.950 176.000 0.162 0.000 0.984 241 Q CA 1.854 57.691 55.803 0.056 0.000 0.837 241 Q CB -0.345 28.376 28.738 -0.029 0.000 0.902 241 Q HN 0.559 nan 8.270 nan 0.000 0.423 242 Y N 0.058 120.435 120.300 0.129 0.000 2.081 242 Y HA -0.343 4.207 4.550 -0.000 0.000 0.280 242 Y C 2.896 178.954 175.900 0.264 0.000 1.163 242 Y CA 1.095 59.394 58.100 0.332 0.000 1.135 242 Y CB -0.497 38.114 38.460 0.252 0.000 0.970 242 Y HN 0.451 nan 8.280 nan 0.000 0.498 243 Q N -0.018 119.950 119.800 0.279 0.000 2.508 243 Q HA -0.106 4.234 4.340 -0.000 0.000 0.214 243 Q C 1.808 177.889 176.000 0.135 0.000 0.979 243 Q CA 1.436 57.325 55.803 0.143 0.000 0.911 243 Q CB -0.402 28.384 28.738 0.080 0.000 0.969 243 Q HN 0.415 nan 8.270 nan 0.000 0.504 244 L N -0.840 120.482 121.223 0.166 0.000 2.537 244 L HA 0.323 4.663 4.340 -0.000 0.000 0.224 244 L C 0.466 177.419 176.870 0.138 0.000 1.065 244 L CA 0.590 55.507 54.840 0.128 0.000 0.860 244 L CB 0.016 42.136 42.059 0.103 0.000 1.086 244 L HN 0.364 nan 8.230 nan 0.000 0.482 245 R N 0.295 120.893 120.500 0.163 0.000 2.438 245 R HA 0.103 4.443 4.340 -0.000 0.000 0.287 245 R C 0.743 177.188 176.300 0.242 0.000 1.077 245 R CA -0.314 55.796 56.100 0.017 0.000 1.034 245 R CB 0.907 30.900 30.300 -0.512 0.000 0.993 245 R HN -0.028 nan 8.270 nan 0.000 0.459 246 L N 4.122 125.431 121.223 0.142 0.000 2.645 246 L HA 0.112 4.452 4.340 -0.000 0.000 0.235 246 L C -0.200 176.816 176.870 0.243 0.000 1.150 246 L CA 0.508 55.466 54.840 0.197 0.000 0.911 246 L CB -0.587 41.576 42.059 0.174 0.000 1.077 246 L HN 0.641 nan 8.230 nan 0.000 0.438 247 F N 0.028 119.948 119.950 -0.050 0.000 2.914 247 F HA -0.248 4.279 4.527 -0.000 0.000 0.233 247 F C 0.994 176.784 175.800 -0.016 0.000 1.018 247 F CA 1.442 59.401 58.000 -0.067 0.000 0.807 247 F CB -2.311 36.625 39.000 -0.106 0.000 0.684 247 F HN 0.402 nan 8.300 nan 0.000 0.790 248 K N -0.622 119.848 120.400 0.116 0.000 2.501 248 K HA 0.551 4.871 4.320 -0.000 0.000 0.252 248 K C 0.465 177.133 176.600 0.114 0.000 0.934 248 K CA -0.279 56.075 56.287 0.112 0.000 0.797 248 K CB 1.060 33.629 32.500 0.115 0.000 1.270 248 K HN 0.021 nan 8.250 nan 0.000 0.431 249 D N 1.118 121.585 120.400 0.112 0.000 2.845 249 D HA -0.216 4.424 4.640 -0.000 0.000 0.229 249 D C 1.110 177.503 176.300 0.156 0.000 1.170 249 D CA 2.687 56.764 54.000 0.130 0.000 0.717 249 D CB -1.082 39.794 40.800 0.127 0.000 1.073 249 D HN 1.998 nan 8.370 nan 0.000 0.424 250 G N -0.426 108.457 108.800 0.137 0.000 2.212 250 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.267 250 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.267 250 G C 0.529 175.634 174.900 0.341 0.000 1.002 250 G CA 1.360 46.580 45.100 0.200 0.000 0.729 250 G HN 0.515 nan 8.290 nan 0.000 0.517 251 K N -1.288 119.268 120.400 0.260 0.000 2.209 251 K HA 0.732 5.052 4.320 -0.000 0.000 0.238 251 K C -0.098 176.636 176.600 0.224 0.000 1.028 251 K CA -0.991 55.490 56.287 0.323 0.000 0.935 251 K CB 0.742 33.399 32.500 0.260 0.000 1.162 251 K HN 0.020 nan 8.250 nan 0.000 0.485 252 L N 1.572 122.924 121.223 0.215 0.000 2.325 252 L HA 0.300 4.640 4.340 -0.000 0.000 0.278 252 L C 0.084 177.125 176.870 0.285 0.000 1.023 252 L CA -0.247 54.691 54.840 0.162 0.000 0.811 252 L CB 1.314 43.427 42.059 0.090 0.000 1.249 252 L HN 0.444 nan 8.230 nan 0.000 0.431 253 K N 2.147 122.689 120.400 0.236 0.000 2.339 253 K HA 0.283 4.603 4.320 -0.000 0.000 0.260 253 K C -1.044 175.776 176.600 0.367 0.000 0.989 253 K CA 0.625 57.051 56.287 0.233 0.000 0.888 253 K CB 0.285 32.852 32.500 0.111 0.000 0.983 253 K HN 0.628 nan 8.250 nan 0.000 0.515 254 Y N -3.169 117.182 120.300 0.084 0.000 2.960 254 Y HA 0.205 4.755 4.550 -0.000 0.000 0.361 254 Y C -2.241 173.714 175.900 0.092 0.000 1.318 254 Y CA -1.457 56.701 58.100 0.096 0.000 1.103 254 Y CB 0.915 39.437 38.460 0.103 0.000 1.650 254 Y HN 0.581 nan 8.280 nan 0.000 0.436 255 Q N 1.442 121.357 119.800 0.191 0.000 2.320 255 Q HA 0.546 4.886 4.340 -0.000 0.000 0.272 255 Q C -1.685 174.458 176.000 0.238 0.000 1.023 255 Q CA -1.233 54.613 55.803 0.072 0.000 0.855 255 Q CB 2.576 31.336 28.738 0.036 0.000 1.367 255 Q HN 0.576 nan 8.270 nan 0.000 0.406 256 M N 3.520 123.222 119.600 0.169 0.000 2.193 256 M HA 0.300 4.780 4.480 -0.000 0.000 0.342 256 M C -1.107 175.263 176.300 0.117 0.000 1.413 256 M CA -0.103 55.318 55.300 0.202 0.000 1.191 256 M CB -0.109 32.585 32.600 0.157 0.000 1.633 256 M HN 0.616 nan 8.290 nan 0.000 0.458 257 L N 5.827 127.126 121.223 0.126 0.000 2.324 257 L HA 0.343 4.683 4.340 -0.000 0.000 0.274 257 L C 0.180 177.060 176.870 0.017 0.000 1.012 257 L CA 0.074 54.885 54.840 -0.048 0.000 0.859 257 L CB 0.812 42.665 42.059 -0.344 0.000 1.224 257 L HN 0.751 nan 8.230 nan 0.000 0.429 258 N N 2.838 121.554 118.700 0.027 0.000 2.967 258 N HA -0.187 4.553 4.740 -0.000 0.000 0.241 258 N C 1.001 176.561 175.510 0.083 0.000 0.983 258 N CA 1.060 54.137 53.050 0.045 0.000 0.918 258 N CB -1.127 37.383 38.487 0.039 0.000 1.109 258 N HN 0.976 nan 8.380 nan 0.000 0.567 259 G N -0.814 108.049 108.800 0.104 0.000 2.313 259 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 259 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 259 G C -0.260 174.723 174.900 0.140 0.000 1.023 259 G CA 0.325 45.488 45.100 0.104 0.000 0.626 259 G HN 0.372 nan 8.290 nan 0.000 0.503 260 E N 0.761 121.083 120.200 0.205 0.000 2.349 260 E HA 0.507 4.857 4.350 -0.000 0.000 0.265 260 E C 0.461 177.244 176.600 0.305 0.000 1.064 260 E CA -0.345 56.184 56.400 0.215 0.000 0.886 260 E CB 2.049 31.913 29.700 0.274 0.000 1.036 260 E HN 0.260 nan 8.360 nan 0.000 0.413 261 V N 2.768 122.734 119.914 0.087 0.000 2.686 261 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 261 V C -0.592 175.485 176.094 -0.029 0.000 1.057 261 V CA -0.079 62.309 62.300 0.147 0.000 1.012 261 V CB 0.096 31.903 31.823 -0.027 0.000 1.006 261 V HN 0.531 nan 8.190 nan 0.000 0.477 262 Y N 2.066 122.462 120.300 0.160 0.000 2.670 262 Y HA 0.483 5.033 4.550 -0.000 0.000 0.334 262 Y C -2.600 173.398 175.900 0.163 0.000 1.185 262 Y CA -2.426 55.749 58.100 0.126 0.000 1.053 262 Y CB 1.787 40.303 38.460 0.093 0.000 1.298 262 Y HN 0.392 nan 8.280 nan 0.000 0.459 263 P HA 0.101 nan 4.420 nan 0.000 0.270 263 P C -2.596 174.825 177.300 0.202 0.000 1.223 263 P CA -0.889 62.348 63.100 0.228 0.000 0.785 263 P CB 0.074 31.889 31.700 0.191 0.000 0.923 264 P HA 0.041 nan 4.420 nan 0.000 0.274 264 P C -0.418 176.922 177.300 0.066 0.000 1.237 264 P CA -0.083 63.073 63.100 0.094 0.000 0.793 264 P CB 0.553 32.297 31.700 0.074 0.000 0.977 265 S N -1.073 114.640 115.700 0.022 0.000 2.632 265 S HA 0.289 4.759 4.470 -0.000 0.000 0.271 265 S C 1.759 176.351 174.600 -0.014 0.000 1.260 265 S CA -0.178 58.015 58.200 -0.011 0.000 1.010 265 S CB -0.156 63.016 63.200 -0.048 0.000 0.965 265 S HN 0.381 nan 8.310 nan 0.000 0.534 266 V N 0.116 120.009 119.914 -0.035 0.000 3.078 266 V HA 0.079 4.199 4.120 -0.000 0.000 0.265 266 V C 2.607 178.679 176.094 -0.037 0.000 1.122 266 V CA 2.353 64.637 62.300 -0.028 0.000 1.141 266 V CB -2.114 29.685 31.823 -0.041 0.000 0.735 266 V HN 1.088 nan 8.190 nan 0.000 0.498 267 E N 0.129 120.301 120.200 -0.047 0.000 2.358 267 E HA 0.152 4.502 4.350 -0.000 0.000 0.195 267 E C 1.742 178.320 176.600 -0.036 0.000 1.010 267 E CA 1.541 57.914 56.400 -0.046 0.000 0.856 267 E CB -0.399 29.268 29.700 -0.054 0.000 0.795 267 E HN 1.047 nan 8.360 nan 0.000 0.504 268 E N -1.052 119.131 120.200 -0.028 0.000 2.562 268 E HA 0.711 5.061 4.350 -0.000 0.000 0.214 268 E C 0.713 177.308 176.600 -0.008 0.000 0.979 268 E CA 0.489 56.875 56.400 -0.023 0.000 1.002 268 E CB 0.925 30.608 29.700 -0.028 0.000 1.048 268 E HN 1.054 nan 8.360 nan 0.000 0.488 269 A N 1.387 124.207 122.820 -0.001 0.000 2.530 269 A HA 0.599 4.919 4.320 -0.000 0.000 0.279 269 A C -2.562 175.025 177.584 0.005 0.000 1.109 269 A CA -1.017 51.029 52.037 0.014 0.000 0.763 269 A CB 1.405 20.427 19.000 0.037 0.000 1.257 269 A HN -0.028 nan 8.150 nan 0.000 0.424 270 P HA 0.080 nan 4.420 nan 0.000 0.261 270 P C 0.702 177.997 177.300 -0.008 0.000 1.297 270 P CA 0.928 64.022 63.100 -0.010 0.000 0.757 270 P CB -0.671 31.020 31.700 -0.014 0.000 1.149 271 V N 0.972 120.888 119.914 0.003 0.000 2.599 271 V HA -0.013 4.107 4.120 -0.000 0.000 0.300 271 V C 0.713 176.793 176.094 -0.023 0.000 1.034 271 V CA -0.330 61.968 62.300 -0.004 0.000 1.115 271 V CB -0.446 31.384 31.823 0.010 0.000 0.934 271 V HN 0.033 nan 8.190 nan 0.000 0.485 272 L N 7.410 128.602 121.223 -0.052 0.000 2.565 272 L HA 0.405 4.745 4.340 -0.000 0.000 0.275 272 L C 0.215 176.998 176.870 -0.145 0.000 1.137 272 L CA 0.250 55.031 54.840 -0.097 0.000 0.915 272 L CB 0.023 42.013 42.059 -0.114 0.000 1.232 272 L HN 0.731 nan 8.230 nan 0.000 0.473 273 M N 3.952 123.486 119.600 -0.111 0.000 2.634 273 M HA 0.331 4.811 4.480 -0.000 0.000 0.251 273 M C 0.518 176.657 176.300 -0.269 0.000 1.092 273 M CA -0.291 54.955 55.300 -0.090 0.000 1.015 273 M CB 0.491 33.203 32.600 0.187 0.000 1.427 273 M HN 0.539 nan 8.290 nan 0.000 0.580 274 H N -1.197 117.896 119.070 0.038 0.000 2.885 274 H HA 0.258 4.814 4.556 -0.000 0.000 0.254 274 H C -0.739 174.636 175.328 0.079 0.000 1.185 274 H CA -0.205 55.859 56.048 0.026 0.000 1.029 274 H CB 0.198 29.937 29.762 -0.037 0.000 1.743 274 H HN 0.409 nan 8.280 nan 0.000 0.632 275 Y N 2.893 123.260 120.300 0.111 0.000 2.641 275 Y HA 0.008 4.558 4.550 -0.000 0.000 0.351 275 Y C -1.264 174.690 175.900 0.090 0.000 1.269 275 Y CA -0.640 57.526 58.100 0.112 0.000 1.485 275 Y CB 0.104 38.596 38.460 0.054 0.000 1.364 275 Y HN 0.162 nan 8.280 nan 0.000 0.651 276 P HA 0.222 nan 4.420 nan 0.000 0.284 276 P C -0.709 176.627 177.300 0.061 0.000 1.253 276 P CA -0.623 62.526 63.100 0.082 0.000 0.800 276 P CB 0.761 32.437 31.700 -0.040 0.000 0.961 277 R N 2.065 122.576 120.500 0.017 0.000 3.541 277 R HA 0.197 4.537 4.340 -0.000 0.000 0.198 277 R C 1.088 177.380 176.300 -0.012 0.000 1.537 277 R CA 0.985 57.085 56.100 -0.000 0.000 1.042 277 R CB -2.000 28.292 30.300 -0.013 0.000 1.183 277 R HN 0.784 nan 8.270 nan 0.000 0.584 278 G N -0.237 108.557 108.800 -0.009 0.000 2.694 278 G HA2 0.447 4.407 3.960 -0.000 0.000 0.212 278 G HA3 0.447 4.407 3.960 -0.000 0.000 0.212 278 G C 0.771 175.646 174.900 -0.042 0.000 2.030 278 G CA 0.518 45.605 45.100 -0.021 0.000 0.731 278 G HN 1.249 nan 8.290 nan 0.000 0.795 279 I N 1.063 121.595 120.570 -0.063 0.000 3.004 279 I HA 0.579 4.749 4.170 -0.000 0.000 0.328 279 I C -0.951 175.086 176.117 -0.133 0.000 1.296 279 I CA -1.333 59.917 61.300 -0.083 0.000 1.005 279 I CB 0.037 37.993 38.000 -0.074 0.000 1.928 279 I HN 0.126 nan 8.210 nan 0.000 0.545 280 P HA -0.231 nan 4.420 nan 0.000 0.221 280 P C -1.286 175.909 177.300 -0.174 0.000 1.153 280 P CA 2.492 65.486 63.100 -0.176 0.000 0.858 280 P CB -0.650 30.985 31.700 -0.107 0.000 0.783 281 P HA -0.124 nan 4.420 nan 0.000 0.198 281 P C 0.840 178.067 177.300 -0.122 0.000 1.020 281 P CA 1.712 64.749 63.100 -0.106 0.000 0.835 281 P CB -0.879 30.773 31.700 -0.080 0.000 0.659 282 Q N -1.225 118.511 119.800 -0.107 0.000 2.407 282 Q HA 0.512 4.852 4.340 -0.000 0.000 0.214 282 Q C 1.530 177.449 176.000 -0.135 0.000 1.043 282 Q CA 0.740 56.480 55.803 -0.104 0.000 0.983 282 Q CB -1.403 27.285 28.738 -0.083 0.000 1.211 282 Q HN 0.645 nan 8.270 nan 0.000 0.564 283 S N -1.370 114.259 115.700 -0.118 0.000 2.580 283 S HA -0.215 4.255 4.470 -0.000 0.000 0.251 283 S C 0.769 175.257 174.600 -0.188 0.000 1.281 283 S CA 1.758 59.892 58.200 -0.111 0.000 1.558 283 S CB -1.528 61.617 63.200 -0.091 0.000 1.996 283 S HN 0.920 nan 8.310 nan 0.000 0.656 284 Q N 1.174 120.765 119.800 -0.348 0.000 2.571 284 Q HA 0.576 4.916 4.340 -0.000 0.000 0.222 284 Q C -0.275 175.528 176.000 -0.327 0.000 1.167 284 Q CA -0.251 55.066 55.803 -0.810 0.000 0.966 284 Q CB -0.017 28.251 28.738 -0.784 0.000 1.274 284 Q HN 0.760 nan 8.270 nan 0.000 0.552 285 M N 1.126 120.740 119.600 0.024 0.000 2.255 285 M HA 0.390 4.870 4.480 -0.000 0.000 0.336 285 M C 0.041 176.482 176.300 0.236 0.000 1.135 285 M CA -0.245 55.151 55.300 0.159 0.000 1.145 285 M CB 1.203 33.925 32.600 0.203 0.000 1.473 285 M HN 0.390 nan 8.290 nan 0.000 0.462 286 A N 1.967 124.875 122.820 0.146 0.000 2.288 286 A HA 0.746 5.066 4.320 -0.000 0.000 0.320 286 A C 0.347 177.996 177.584 0.109 0.000 1.217 286 A CA -0.518 51.590 52.037 0.120 0.000 0.840 286 A CB 0.458 19.502 19.000 0.074 0.000 1.179 286 A HN 0.917 nan 8.150 nan 0.000 0.504 287 V N 1.268 121.233 119.914 0.085 0.000 3.250 287 V HA 0.571 4.691 4.120 -0.000 0.000 0.240 287 V C 1.389 177.479 176.094 -0.008 0.000 1.275 287 V CA 1.502 63.849 62.300 0.078 0.000 1.206 287 V CB -0.385 31.538 31.823 0.167 0.000 0.976 287 V HN 1.952 nan 8.190 nan 0.000 0.467 288 G N -0.379 108.379 108.800 -0.070 0.000 2.545 288 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.195 288 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.195 288 G C 0.245 175.001 174.900 -0.240 0.000 1.009 288 G CA 0.469 45.493 45.100 -0.128 0.000 0.703 288 G HN 0.984 nan 8.290 nan 0.000 0.479 289 Q N 1.637 121.190 119.800 -0.412 0.000 2.431 289 Q HA 0.662 5.002 4.340 -0.000 0.000 0.249 289 Q C 1.172 176.860 176.000 -0.520 0.000 1.025 289 Q CA -0.110 55.253 55.803 -0.732 0.000 0.835 289 Q CB 1.203 28.809 28.738 -1.886 0.000 1.207 289 Q HN 0.325 nan 8.270 nan 0.000 0.490 290 E N 1.815 121.842 120.200 -0.289 0.000 2.200 290 E HA -0.250 4.100 4.350 -0.000 0.000 0.211 290 E C 1.165 177.729 176.600 -0.060 0.000 1.048 290 E CA 1.907 58.244 56.400 -0.105 0.000 0.851 290 E CB -0.124 29.606 29.700 0.049 0.000 0.747 290 E HN 0.441 nan 8.360 nan 0.000 0.462 291 V N -0.220 119.574 119.914 -0.200 0.000 3.608 291 V HA -0.025 4.095 4.120 -0.000 0.000 0.269 291 V C 0.603 176.650 176.094 -0.078 0.000 1.245 291 V CA 0.203 62.410 62.300 -0.156 0.000 1.138 291 V CB -0.352 31.334 31.823 -0.228 0.000 0.841 291 V HN 0.203 nan 8.190 nan 0.000 0.451 292 F N 1.394 121.216 119.950 -0.213 0.000 2.608 292 F HA 0.032 4.559 4.527 -0.000 0.000 0.293 292 F C 2.020 177.656 175.800 -0.274 0.000 1.163 292 F CA 0.800 58.667 58.000 -0.221 0.000 1.488 292 F CB -1.422 37.466 39.000 -0.186 0.000 1.116 292 F HN 0.322 nan 8.300 nan 0.000 0.613 293 G N -0.836 107.813 108.800 -0.251 0.000 2.719 293 G HA2 0.025 3.985 3.960 -0.000 0.000 0.211 293 G HA3 0.025 3.985 3.960 -0.000 0.000 0.211 293 G C 1.495 176.130 174.900 -0.442 0.000 1.140 293 G CA -0.176 44.606 45.100 -0.529 0.000 0.790 293 G HN 0.324 nan 8.290 nan 0.000 0.529 294 L N -0.006 120.973 121.223 -0.406 0.000 2.622 294 L HA 0.332 4.672 4.340 -0.000 0.000 0.233 294 L C 0.008 176.517 176.870 -0.603 0.000 1.156 294 L CA 0.481 54.983 54.840 -0.562 0.000 0.866 294 L CB -0.416 41.291 42.059 -0.587 0.000 0.980 294 L HN 0.094 nan 8.230 nan 0.000 0.448 295 L N -1.601 119.329 121.223 -0.488 0.000 2.611 295 L HA 0.236 4.576 4.340 -0.000 0.000 0.260 295 L C -2.010 174.511 176.870 -0.581 0.000 0.924 295 L CA -1.223 53.246 54.840 -0.618 0.000 0.901 295 L CB 2.521 44.317 42.059 -0.438 0.000 1.369 295 L HN -0.320 nan 8.230 nan 0.000 0.415 296 P HA -0.116 nan 4.420 nan 0.000 0.218 296 P C 1.365 178.446 177.300 -0.366 0.000 1.148 296 P CA 1.311 64.163 63.100 -0.412 0.000 0.822 296 P CB 0.355 31.865 31.700 -0.316 0.000 0.784 297 G N -0.029 108.326 108.800 -0.742 0.000 2.453 297 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.215 297 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.215 297 G C 1.264 175.871 174.900 -0.488 0.000 1.201 297 G CA 0.734 45.198 45.100 -1.059 0.000 0.784 297 G HN 0.133 nan 8.290 nan 0.000 0.545 298 L N -0.152 120.787 121.223 -0.474 0.000 2.079 298 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 298 L C 2.709 179.267 176.870 -0.521 0.000 1.081 298 L CA 1.600 56.112 54.840 -0.547 0.000 0.752 298 L CB -0.726 40.933 42.059 -0.666 0.000 0.896 298 L HN 0.240 nan 8.230 nan 0.000 0.433 299 M N -0.827 118.596 119.600 -0.294 0.000 2.099 299 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 299 M C 2.103 178.380 176.300 -0.038 0.000 1.067 299 M CA 1.521 56.756 55.300 -0.108 0.000 1.124 299 M CB -0.711 31.858 32.600 -0.052 0.000 1.353 299 M HN 0.178 nan 8.290 nan 0.000 0.410 300 L N -0.135 121.042 121.223 -0.076 0.000 1.965 300 L HA -0.292 4.048 4.340 -0.000 0.000 0.226 300 L C 2.005 178.855 176.870 -0.033 0.000 1.083 300 L CA 2.248 57.049 54.840 -0.066 0.000 0.790 300 L CB -1.559 40.428 42.059 -0.120 0.000 0.898 300 L HN 0.427 nan 8.230 nan 0.000 0.439 301 Y N 0.115 120.417 120.300 0.003 0.000 2.053 301 Y HA -0.300 4.250 4.550 -0.000 0.000 0.277 301 Y C 2.641 178.655 175.900 0.191 0.000 1.159 301 Y CA 1.884 60.004 58.100 0.033 0.000 1.125 301 Y CB -1.454 37.030 38.460 0.041 0.000 0.969 301 Y HN 0.409 nan 8.280 nan 0.000 0.492 302 A N -0.553 122.534 122.820 0.444 0.000 1.971 302 A HA -0.312 4.008 4.320 -0.000 0.000 0.222 302 A C 2.280 180.012 177.584 0.248 0.000 1.182 302 A CA 2.674 54.936 52.037 0.376 0.000 0.649 302 A CB -1.360 17.768 19.000 0.213 0.000 0.818 302 A HN 0.527 nan 8.150 nan 0.000 0.458 303 T N 0.085 114.728 114.554 0.149 0.000 2.639 303 T HA -0.079 4.271 4.350 -0.000 0.000 0.261 303 T C 1.835 176.550 174.700 0.026 0.000 1.053 303 T CA 1.365 63.499 62.100 0.056 0.000 1.158 303 T CB -0.462 68.383 68.868 -0.039 0.000 0.863 303 T HN 0.429 nan 8.240 nan 0.000 0.413 304 I N -0.412 120.147 120.570 -0.017 0.000 2.091 304 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 304 I C 2.383 178.450 176.117 -0.083 0.000 1.046 304 I CA 1.868 63.104 61.300 -0.106 0.000 1.306 304 I CB -0.445 37.449 38.000 -0.177 0.000 1.018 304 I HN 0.367 nan 8.210 nan 0.000 0.404 305 W N 0.591 121.908 121.300 0.029 0.000 2.333 305 W HA -0.240 4.420 4.660 -0.000 0.000 0.316 305 W C 2.578 179.123 176.519 0.043 0.000 1.215 305 W CA 1.212 58.568 57.345 0.019 0.000 1.278 305 W CB -0.625 28.816 29.460 -0.032 0.000 1.154 305 W HN 0.149 nan 8.180 nan 0.000 0.486 306 L N 0.578 121.953 121.223 0.254 0.000 2.013 306 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 306 L C 2.656 179.611 176.870 0.141 0.000 1.073 306 L CA 1.852 56.795 54.840 0.172 0.000 0.753 306 L CB -0.461 41.666 42.059 0.114 0.000 0.890 306 L HN -0.104 nan 8.230 nan 0.000 0.432 307 R N 0.046 120.579 120.500 0.055 0.000 2.115 307 R HA -0.280 4.060 4.340 -0.000 0.000 0.239 307 R C 2.191 178.513 176.300 0.036 0.000 1.133 307 R CA 2.079 58.170 56.100 -0.015 0.000 0.935 307 R CB -0.548 29.708 30.300 -0.074 0.000 0.853 307 R HN 0.531 nan 8.270 nan 0.000 0.433 308 E N -0.750 119.487 120.200 0.063 0.000 2.021 308 E HA -0.285 4.065 4.350 -0.000 0.000 0.200 308 E C 1.767 178.470 176.600 0.173 0.000 1.015 308 E CA 2.229 58.685 56.400 0.093 0.000 0.824 308 E CB -0.499 29.259 29.700 0.096 0.000 0.762 308 E HN 0.536 nan 8.360 nan 0.000 0.454 309 H N -0.083 119.099 119.070 0.187 0.000 2.268 309 H HA -0.238 4.318 4.556 -0.000 0.000 0.288 309 H C 1.889 177.307 175.328 0.151 0.000 1.088 309 H CA 2.729 58.903 56.048 0.211 0.000 1.182 309 H CB -0.381 29.551 29.762 0.283 0.000 1.348 309 H HN 0.202 nan 8.280 nan 0.000 0.499 310 N N 0.198 119.122 118.700 0.375 0.000 2.061 310 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 310 N C 2.103 177.667 175.510 0.090 0.000 1.030 310 N CA 1.470 54.661 53.050 0.236 0.000 0.856 310 N CB -0.581 37.962 38.487 0.092 0.000 1.023 310 N HN 0.455 nan 8.380 nan 0.000 0.424 311 R N 0.961 121.497 120.500 0.059 0.000 2.113 311 R HA -0.156 4.184 4.340 -0.000 0.000 0.244 311 R C 2.052 178.372 176.300 0.033 0.000 1.142 311 R CA 1.903 58.021 56.100 0.030 0.000 0.953 311 R CB -0.421 29.891 30.300 0.021 0.000 0.860 311 R HN 0.248 nan 8.270 nan 0.000 0.438 312 V N -0.378 119.552 119.914 0.027 0.000 2.515 312 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 312 V C 2.193 178.299 176.094 0.019 0.000 1.058 312 V CA 1.783 64.096 62.300 0.021 0.000 1.064 312 V CB -0.598 31.232 31.823 0.012 0.000 0.675 312 V HN 0.528 nan 8.190 nan 0.000 0.461 313 C N 0.749 120.051 119.300 0.003 0.000 2.413 313 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 313 C C 2.444 177.480 174.990 0.076 0.000 1.236 313 C CA 1.335 60.387 59.018 0.056 0.000 1.735 313 C CB -1.402 26.401 27.740 0.105 0.000 2.031 313 C HN 0.648 nan 8.230 nan 0.000 0.474 314 D N 0.870 121.307 120.400 0.061 0.000 2.106 314 D HA -0.133 4.507 4.640 -0.000 0.000 0.191 314 D C 2.040 178.364 176.300 0.039 0.000 0.997 314 D CA 1.203 55.233 54.000 0.050 0.000 0.834 314 D CB -0.564 40.258 40.800 0.037 0.000 0.956 314 D HN 0.430 nan 8.370 nan 0.000 0.448 315 L N 0.181 121.427 121.223 0.037 0.000 1.990 315 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 315 L C 2.676 179.564 176.870 0.029 0.000 1.072 315 L CA 0.917 55.775 54.840 0.030 0.000 0.755 315 L CB -0.439 41.644 42.059 0.040 0.000 0.889 315 L HN 0.077 nan 8.230 nan 0.000 0.432 316 L N -0.010 121.249 121.223 0.059 0.000 1.955 316 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 316 L C 3.154 180.023 176.870 -0.002 0.000 1.072 316 L CA 2.107 56.985 54.840 0.063 0.000 0.755 316 L CB -1.004 41.163 42.059 0.180 0.000 0.888 316 L HN 0.270 nan 8.230 nan 0.000 0.432 317 K N 0.079 120.511 120.400 0.052 0.000 2.374 317 K HA -0.186 4.134 4.320 -0.000 0.000 0.202 317 K C 1.947 178.528 176.600 -0.031 0.000 1.044 317 K CA 1.842 58.153 56.287 0.039 0.000 0.933 317 K CB -1.304 31.245 32.500 0.082 0.000 0.745 317 K HN 0.576 nan 8.250 nan 0.000 0.474 318 A N 0.158 122.949 122.820 -0.049 0.000 1.943 318 A HA 0.122 4.442 4.320 -0.000 0.000 0.213 318 A C 2.220 179.706 177.584 -0.164 0.000 1.181 318 A CA 1.467 53.458 52.037 -0.077 0.000 0.653 318 A CB 0.031 19.002 19.000 -0.049 0.000 0.833 318 A HN 0.546 nan 8.150 nan 0.000 0.451 319 E N -0.229 119.836 120.200 -0.226 0.000 2.216 319 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 319 E C -0.437 175.632 176.600 -0.885 0.000 0.988 319 E CA 0.784 56.900 56.400 -0.474 0.000 0.834 319 E CB -0.027 29.420 29.700 -0.421 0.000 0.772 319 E HN 0.742 nan 8.360 nan 0.000 0.479 320 H N -1.214 117.521 119.070 -0.557 0.000 2.488 320 H HA 0.184 4.740 4.556 -0.000 0.000 0.237 320 H C -1.997 173.076 175.328 -0.424 0.000 1.395 320 H CA -1.650 53.937 56.048 -0.768 0.000 1.491 320 H CB 1.247 29.774 29.762 -2.059 0.000 1.567 320 H HN 0.042 nan 8.280 nan 0.000 0.508 321 P HA -0.233 nan 4.420 nan 0.000 0.215 321 P C 1.800 179.144 177.300 0.073 0.000 1.157 321 P CA 1.875 64.967 63.100 -0.014 0.000 0.863 321 P CB 0.218 31.904 31.700 -0.024 0.000 0.787 322 T N -4.295 110.306 114.554 0.078 0.000 2.760 322 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 322 T C 0.590 175.455 174.700 0.275 0.000 1.047 322 T CA 0.355 62.547 62.100 0.152 0.000 1.139 322 T CB -1.314 67.646 68.868 0.154 0.000 0.855 322 T HN -0.092 nan 8.240 nan 0.000 0.471 323 W N 2.768 124.108 121.300 0.068 0.000 2.435 323 W HA 0.488 5.148 4.660 0.000 0.000 0.337 323 W C 1.368 177.907 176.519 0.034 0.000 1.300 323 W CA -0.330 57.041 57.345 0.044 0.000 1.298 323 W CB -0.642 28.843 29.460 0.042 0.000 1.217 323 W HN 0.380 nan 8.180 nan 0.000 0.565 324 G N 2.243 111.142 108.800 0.165 0.000 2.486 324 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.272 324 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.272 324 G C 0.496 175.445 174.900 0.081 0.000 1.426 324 G CA 0.372 45.527 45.100 0.092 0.000 1.058 324 G HN 0.446 nan 8.290 nan 0.000 0.531 325 D N -1.290 119.136 120.400 0.044 0.000 2.106 325 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 325 D C 2.245 178.547 176.300 0.003 0.000 0.977 325 D CA 1.041 55.056 54.000 0.024 0.000 0.844 325 D CB -0.030 40.762 40.800 -0.013 0.000 1.002 325 D HN 0.263 nan 8.370 nan 0.000 0.461 326 E N 0.292 120.473 120.200 -0.031 0.000 2.065 326 E HA -0.286 4.064 4.350 -0.000 0.000 0.201 326 E C 2.023 178.594 176.600 -0.048 0.000 1.016 326 E CA 1.240 57.629 56.400 -0.018 0.000 0.818 326 E CB -0.494 29.187 29.700 -0.033 0.000 0.749 326 E HN 0.534 nan 8.360 nan 0.000 0.453 327 Q N 0.423 120.114 119.800 -0.181 0.000 2.020 327 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 327 Q C 2.156 177.971 176.000 -0.309 0.000 0.982 327 Q CA 1.089 56.634 55.803 -0.429 0.000 0.838 327 Q CB -0.208 28.040 28.738 -0.816 0.000 0.899 327 Q HN 0.226 nan 8.270 nan 0.000 0.423 328 L N 0.494 121.691 121.223 -0.044 0.000 2.784 328 L HA -0.071 4.269 4.340 -0.000 0.000 0.247 328 L C 1.128 178.089 176.870 0.151 0.000 1.162 328 L CA 0.117 55.054 54.840 0.161 0.000 0.881 328 L CB -0.165 42.046 42.059 0.253 0.000 1.032 328 L HN 0.352 nan 8.230 nan 0.000 0.446 329 F N -1.122 118.769 119.950 -0.098 0.000 2.463 329 F HA 0.044 4.571 4.527 -0.000 0.000 0.271 329 F C 2.325 178.024 175.800 -0.169 0.000 0.888 329 F CA 0.202 58.154 58.000 -0.080 0.000 1.149 329 F CB 0.050 38.981 39.000 -0.114 0.000 1.071 329 F HN -0.134 nan 8.300 nan 0.000 0.802 330 Q N 0.472 120.115 119.800 -0.261 0.000 2.030 330 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 330 Q C 2.110 177.855 176.000 -0.425 0.000 0.986 330 Q CA 2.536 58.099 55.803 -0.399 0.000 0.843 330 Q CB -1.393 27.175 28.738 -0.283 0.000 0.904 330 Q HN 0.390 nan 8.270 nan 0.000 0.420 331 T N 1.625 115.956 114.554 -0.371 0.000 2.720 331 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 331 T C 1.874 176.432 174.700 -0.237 0.000 1.037 331 T CA 1.635 63.546 62.100 -0.315 0.000 1.144 331 T CB -0.373 68.368 68.868 -0.212 0.000 0.864 331 T HN 0.453 nan 8.240 nan 0.000 0.444 332 A N 1.699 124.369 122.820 -0.249 0.000 1.883 332 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 332 A C 2.255 179.652 177.584 -0.311 0.000 1.186 332 A CA 2.078 53.930 52.037 -0.309 0.000 0.624 332 A CB -0.694 17.976 19.000 -0.550 0.000 0.822 332 A HN 0.447 nan 8.150 nan 0.000 0.444 333 R N -0.415 119.800 120.500 -0.475 0.000 2.127 333 R HA -0.165 4.175 4.340 -0.000 0.000 0.228 333 R C 2.107 178.323 176.300 -0.140 0.000 1.125 333 R CA 2.072 57.923 56.100 -0.415 0.000 0.904 333 R CB -0.703 29.105 30.300 -0.820 0.000 0.831 333 R HN 0.486 nan 8.270 nan 0.000 0.431 334 L N 0.609 121.699 121.223 -0.222 0.000 2.082 334 L HA -0.317 4.023 4.340 -0.000 0.000 0.223 334 L C 2.548 179.472 176.870 0.090 0.000 1.086 334 L CA 1.769 56.510 54.840 -0.165 0.000 0.793 334 L CB -0.610 41.147 42.059 -0.505 0.000 0.896 334 L HN 0.416 nan 8.230 nan 0.000 0.441 335 I N -0.688 119.964 120.570 0.138 0.000 2.423 335 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 335 I C 2.271 178.586 176.117 0.329 0.000 1.151 335 I CA 1.052 62.569 61.300 0.362 0.000 1.421 335 I CB -0.173 37.982 38.000 0.258 0.000 1.079 335 I HN 0.325 nan 8.210 nan 0.000 0.431 336 L N -0.341 121.037 121.223 0.258 0.000 2.209 336 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 336 L C 2.421 179.412 176.870 0.201 0.000 1.094 336 L CA 1.054 56.070 54.840 0.293 0.000 0.790 336 L CB -0.345 41.882 42.059 0.279 0.000 0.932 336 L HN 0.202 nan 8.230 nan 0.000 0.447 337 I N 0.296 120.985 120.570 0.199 0.000 2.394 337 I HA -0.101 4.069 4.170 -0.000 0.000 0.251 337 I C 2.534 178.820 176.117 0.282 0.000 1.136 337 I CA 1.185 62.603 61.300 0.197 0.000 1.425 337 I CB -0.982 37.134 38.000 0.194 0.000 1.079 337 I HN 0.096 nan 8.210 nan 0.000 0.425 338 G N -0.024 109.023 108.800 0.411 0.000 2.616 338 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 338 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 338 G C 1.486 176.614 174.900 0.380 0.000 1.284 338 G CA 0.458 45.866 45.100 0.513 0.000 0.823 338 G HN 0.371 nan 8.290 nan 0.000 0.569 339 E N -0.284 120.155 120.200 0.398 0.000 2.197 339 E HA -0.204 4.146 4.350 -0.000 0.000 0.205 339 E C 2.669 179.524 176.600 0.425 0.000 1.029 339 E CA 1.724 58.364 56.400 0.400 0.000 0.828 339 E CB -0.227 29.746 29.700 0.455 0.000 0.737 339 E HN 0.392 nan 8.360 nan 0.000 0.464 340 T N 0.892 115.675 114.554 0.381 0.000 2.698 340 T HA -0.069 4.281 4.350 -0.000 0.000 0.260 340 T C 1.983 176.778 174.700 0.158 0.000 1.044 340 T CA 0.772 63.070 62.100 0.329 0.000 1.149 340 T CB -0.222 68.698 68.868 0.086 0.000 0.864 340 T HN 0.107 nan 8.240 nan 0.000 0.419 341 I N 0.900 121.494 120.570 0.041 0.000 2.315 341 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 341 I C 2.684 178.513 176.117 -0.480 0.000 1.125 341 I CA 1.072 62.245 61.300 -0.213 0.000 1.392 341 I CB -0.230 37.569 38.000 -0.334 0.000 1.065 341 I HN 0.094 nan 8.210 nan 0.000 0.424 342 K N 1.267 121.485 120.400 -0.304 0.000 1.967 342 K HA -0.138 4.182 4.320 -0.000 0.000 0.212 342 K C 2.022 178.654 176.600 0.053 0.000 1.044 342 K CA 1.658 57.886 56.287 -0.097 0.000 0.942 342 K CB -0.436 32.210 32.500 0.243 0.000 0.726 342 K HN 0.125 nan 8.250 nan 0.000 0.440 343 I N 1.662 122.326 120.570 0.157 0.000 2.194 343 I HA -0.249 3.921 4.170 -0.000 0.000 0.246 343 I C 2.523 178.707 176.117 0.112 0.000 1.093 343 I CA 0.983 62.403 61.300 0.199 0.000 1.355 343 I CB -1.400 36.798 38.000 0.329 0.000 1.046 343 I HN -0.094 nan 8.210 nan 0.000 0.413 344 V N 1.302 121.197 119.914 -0.031 0.000 2.282 344 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 344 V C 2.465 178.562 176.094 0.005 0.000 1.057 344 V CA 1.894 64.068 62.300 -0.210 0.000 1.032 344 V CB -0.390 31.154 31.823 -0.466 0.000 0.645 344 V HN 0.279 nan 8.190 nan 0.000 0.447 345 I N -0.316 120.254 120.570 -0.001 0.000 2.130 345 I HA -0.154 4.016 4.170 -0.000 0.000 0.234 345 I C 2.477 178.649 176.117 0.092 0.000 1.067 345 I CA 1.438 62.775 61.300 0.061 0.000 1.339 345 I CB -0.588 37.455 38.000 0.073 0.000 1.073 345 I HN 0.279 nan 8.210 nan 0.000 0.405 346 E N 0.391 120.665 120.200 0.124 0.000 2.401 346 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 346 E C 1.388 178.060 176.600 0.121 0.000 1.023 346 E CA 0.952 57.428 56.400 0.125 0.000 0.859 346 E CB 0.091 29.885 29.700 0.156 0.000 0.780 346 E HN 0.597 nan 8.360 nan 0.000 0.523 347 E N -1.285 119.009 120.200 0.157 0.000 2.940 347 E HA -0.015 4.335 4.350 -0.000 0.000 0.203 347 E C 1.412 178.151 176.600 0.233 0.000 0.995 347 E CA -0.163 56.378 56.400 0.235 0.000 1.396 347 E CB -0.160 29.740 29.700 0.334 0.000 1.310 347 E HN 0.085 nan 8.360 nan 0.000 0.613 348 Y N 2.243 122.526 120.300 -0.028 0.000 2.070 348 Y HA -0.197 4.353 4.550 -0.000 0.000 0.279 348 Y C 2.279 178.061 175.900 -0.197 0.000 1.134 348 Y CA 2.236 60.071 58.100 -0.442 0.000 1.113 348 Y CB -0.389 37.659 38.460 -0.687 0.000 0.981 348 Y HN 0.044 nan 8.280 nan 0.000 0.487 349 A N 0.109 122.949 122.820 0.034 0.000 1.908 349 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 349 A C 2.108 179.583 177.584 -0.182 0.000 1.181 349 A CA 1.999 54.006 52.037 -0.050 0.000 0.627 349 A CB -1.096 17.936 19.000 0.053 0.000 0.818 349 A HN 0.643 nan 8.150 nan 0.000 0.445 350 Q N -0.480 119.251 119.800 -0.116 0.000 1.935 350 Q HA -0.305 4.035 4.340 -0.000 0.000 0.212 350 Q C 2.239 178.100 176.000 -0.231 0.000 1.008 350 Q CA 2.821 58.540 55.803 -0.140 0.000 0.868 350 Q CB -0.622 28.090 28.738 -0.044 0.000 0.946 350 Q HN 0.651 nan 8.270 nan 0.000 0.418 351 Q N -0.353 119.321 119.800 -0.209 0.000 2.118 351 Q HA -0.226 4.114 4.340 -0.000 0.000 0.211 351 Q C 1.926 177.651 176.000 -0.459 0.000 0.998 351 Q CA 2.312 57.938 55.803 -0.296 0.000 0.872 351 Q CB -0.938 27.647 28.738 -0.254 0.000 0.925 351 Q HN 0.483 nan 8.270 nan 0.000 0.414 352 L N 0.153 121.041 121.223 -0.558 0.000 1.970 352 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 352 L C 2.435 178.999 176.870 -0.511 0.000 1.071 352 L CA 2.644 57.121 54.840 -0.605 0.000 0.751 352 L CB -1.191 40.581 42.059 -0.478 0.000 0.889 352 L HN 0.525 nan 8.230 nan 0.000 0.432 353 S N -0.613 114.804 115.700 -0.473 0.000 2.359 353 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 353 S C 1.834 176.134 174.600 -0.500 0.000 1.035 353 S CA 1.413 59.218 58.200 -0.659 0.000 1.018 353 S CB -1.163 61.330 63.200 -1.178 0.000 0.876 353 S HN 1.086 nan 8.310 nan 0.000 0.448 354 G N -0.217 108.360 108.800 -0.373 0.000 2.159 354 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 354 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 354 G C 0.132 174.967 174.900 -0.108 0.000 0.977 354 G CA 0.296 45.275 45.100 -0.202 0.000 0.652 354 G HN 0.678 nan 8.290 nan 0.000 0.531 355 Y N -0.931 119.188 120.300 -0.303 0.000 2.459 355 Y HA 0.342 4.892 4.550 -0.000 0.000 0.349 355 Y C 1.757 177.469 175.900 -0.314 0.000 1.266 355 Y CA -0.204 57.618 58.100 -0.464 0.000 1.483 355 Y CB 0.388 38.606 38.460 -0.403 0.000 1.362 355 Y HN 0.048 nan 8.280 nan 0.000 0.628 356 F N 0.276 119.886 119.950 -0.567 0.000 2.714 356 F HA 0.045 4.572 4.527 -0.000 0.000 0.294 356 F C 0.613 176.060 175.800 -0.587 0.000 1.120 356 F CA -0.503 57.147 58.000 -0.583 0.000 1.398 356 F CB 0.522 39.083 39.000 -0.731 0.000 1.120 356 F HN 0.272 nan 8.300 nan 0.000 0.589 357 L N 2.042 122.870 121.223 -0.659 0.000 2.418 357 L HA 0.074 4.414 4.340 -0.000 0.000 0.274 357 L C 0.327 177.123 176.870 -0.123 0.000 1.135 357 L CA 0.031 54.617 54.840 -0.423 0.000 0.870 357 L CB 0.370 42.111 42.059 -0.531 0.000 1.154 357 L HN 0.044 nan 8.230 nan 0.000 0.462 358 Q N 5.539 125.320 119.800 -0.031 0.000 2.359 358 Q HA 0.193 4.533 4.340 -0.000 0.000 0.249 358 Q C -0.432 175.579 176.000 0.018 0.000 1.181 358 Q CA -0.134 55.669 55.803 0.001 0.000 0.897 358 Q CB 0.133 28.884 28.738 0.021 0.000 1.424 358 Q HN 0.668 nan 8.270 nan 0.000 0.478 359 L N 2.701 123.935 121.223 0.019 0.000 2.554 359 L HA -0.054 4.286 4.340 -0.000 0.000 0.293 359 L C 0.370 177.279 176.870 0.066 0.000 1.252 359 L CA 1.021 55.886 54.840 0.043 0.000 0.862 359 L CB -0.065 42.016 42.059 0.036 0.000 1.113 359 L HN 0.468 nan 8.230 nan 0.000 0.510 360 K N 2.403 122.852 120.400 0.081 0.000 2.535 360 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 360 K C -1.587 175.103 176.600 0.149 0.000 0.942 360 K CA -0.711 55.637 56.287 0.102 0.000 0.798 360 K CB 1.567 34.097 32.500 0.051 0.000 1.267 360 K HN 0.287 nan 8.250 nan 0.000 0.434 361 F N 4.471 124.438 119.950 0.029 0.000 2.350 361 F HA 0.375 4.902 4.527 -0.000 0.000 0.365 361 F C -0.999 174.800 175.800 -0.002 0.000 1.122 361 F CA -0.635 57.376 58.000 0.017 0.000 1.139 361 F CB 0.702 39.741 39.000 0.065 0.000 1.220 361 F HN 0.561 nan 8.300 nan 0.000 0.499 362 D N 8.190 128.256 120.400 -0.556 0.000 2.337 362 D HA 0.322 4.962 4.640 -0.000 0.000 0.238 362 D C -2.244 173.659 176.300 -0.662 0.000 1.331 362 D CA -1.852 51.788 54.000 -0.602 0.000 0.967 362 D CB 1.717 42.349 40.800 -0.280 0.000 1.382 362 D HN 0.164 nan 8.370 nan 0.000 0.549 363 P HA -0.196 nan 4.420 nan 0.000 0.218 363 P C 0.726 177.396 177.300 -1.048 0.000 1.150 363 P CA 1.215 63.795 63.100 -0.866 0.000 0.841 363 P CB 0.289 31.184 31.700 -1.341 0.000 0.784 364 E N -0.696 118.782 120.200 -1.204 0.000 2.265 364 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 364 E C 1.706 177.897 176.600 -0.682 0.000 0.996 364 E CA 0.553 56.057 56.400 -1.493 0.000 0.832 364 E CB -0.574 28.744 29.700 -0.637 0.000 0.756 364 E HN 0.341 nan 8.360 nan 0.000 0.491 365 L N 0.571 121.534 121.223 -0.433 0.000 2.450 365 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 365 L C 1.677 178.445 176.870 -0.170 0.000 1.149 365 L CA 0.453 55.157 54.840 -0.228 0.000 0.816 365 L CB -0.121 41.825 42.059 -0.189 0.000 0.932 365 L HN 0.235 nan 8.230 nan 0.000 0.449 366 L N -2.346 118.778 121.223 -0.165 0.000 2.858 366 L HA 0.111 4.451 4.340 -0.000 0.000 0.251 366 L C 1.851 178.860 176.870 0.233 0.000 1.149 366 L CA 0.449 55.263 54.840 -0.043 0.000 0.955 366 L CB -0.310 41.667 42.059 -0.137 0.000 1.289 366 L HN 0.234 nan 8.230 nan 0.000 0.542 367 F N 0.728 120.717 119.950 0.066 0.000 2.449 367 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 367 F C 1.982 177.829 175.800 0.079 0.000 1.092 367 F CA 0.653 58.717 58.000 0.107 0.000 1.446 367 F CB 0.131 39.193 39.000 0.103 0.000 1.084 367 F HN 0.230 nan 8.300 nan 0.000 0.567 368 G N -0.610 108.324 108.800 0.223 0.000 3.062 368 G HA2 0.402 4.362 3.960 -0.000 0.000 0.228 368 G HA3 0.402 4.362 3.960 -0.000 0.000 0.228 368 G C 0.362 175.313 174.900 0.086 0.000 1.094 368 G CA 0.368 45.547 45.100 0.131 0.000 0.782 368 G HN 0.238 nan 8.290 nan 0.000 0.541 369 A N -0.083 122.783 122.820 0.077 0.000 2.252 369 A HA 0.694 5.014 4.320 -0.000 0.000 0.305 369 A C -0.064 177.566 177.584 0.076 0.000 1.097 369 A CA -0.430 51.628 52.037 0.034 0.000 0.849 369 A CB 0.558 19.529 19.000 -0.048 0.000 1.142 369 A HN 0.235 nan 8.150 nan 0.000 0.499 370 Q N 0.020 119.859 119.800 0.065 0.000 2.349 370 Q HA 0.505 4.845 4.340 -0.000 0.000 0.254 370 Q C -1.850 174.251 176.000 0.169 0.000 0.980 370 Q CA 0.190 56.049 55.803 0.092 0.000 0.924 370 Q CB 1.080 29.853 28.738 0.057 0.000 1.209 370 Q HN 0.507 nan 8.270 nan 0.000 0.445 371 F N 1.542 121.439 119.950 -0.089 0.000 2.596 371 F HA 0.238 4.765 4.527 0.000 0.000 0.311 371 F C -1.205 174.457 175.800 -0.229 0.000 1.116 371 F CA -0.861 57.022 58.000 -0.195 0.000 0.957 371 F CB 1.914 40.721 39.000 -0.321 0.000 1.250 371 F HN 0.281 nan 8.300 nan 0.000 0.444 372 Q N 4.841 124.303 119.800 -0.563 0.000 2.296 372 Q HA 0.180 4.520 4.340 -0.000 0.000 0.257 372 Q C -1.113 174.486 176.000 -0.668 0.000 0.942 372 Q CA -0.194 55.350 55.803 -0.432 0.000 0.939 372 Q CB 1.049 29.617 28.738 -0.283 0.000 1.198 372 Q HN 0.698 nan 8.270 nan 0.000 0.429 373 Y N 3.166 123.304 120.300 -0.270 0.000 2.724 373 Y HA 0.089 4.639 4.550 -0.000 0.000 0.354 373 Y C 0.766 176.556 175.900 -0.185 0.000 1.270 373 Y CA -0.171 57.797 58.100 -0.220 0.000 1.902 373 Y CB 0.171 38.571 38.460 -0.101 0.000 1.981 373 Y HN 0.332 nan 8.280 nan 0.000 0.428 374 R N 0.926 121.342 120.500 -0.140 0.000 2.579 374 R HA 0.352 4.692 4.340 -0.000 0.000 0.260 374 R C -2.147 174.070 176.300 -0.138 0.000 1.103 374 R CA -0.659 55.379 56.100 -0.103 0.000 0.942 374 R CB 1.206 31.450 30.300 -0.094 0.000 1.251 374 R HN 0.415 nan 8.270 nan 0.000 0.450 375 N N 1.260 119.902 118.700 -0.096 0.000 2.545 375 N HA 0.565 5.305 4.740 -0.000 0.000 0.289 375 N C -1.432 174.018 175.510 -0.100 0.000 1.279 375 N CA -0.916 52.087 53.050 -0.079 0.000 0.824 375 N CB 1.969 40.434 38.487 -0.037 0.000 1.395 375 N HN 0.567 nan 8.380 nan 0.000 0.526 376 R N 2.405 122.881 120.500 -0.040 0.000 2.659 376 R HA 0.276 4.616 4.340 -0.000 0.000 0.290 376 R C -1.186 175.217 176.300 0.171 0.000 1.253 376 R CA -0.497 55.595 56.100 -0.014 0.000 1.010 376 R CB 0.068 30.295 30.300 -0.122 0.000 1.236 376 R HN 0.444 nan 8.270 nan 0.000 0.413 377 I N 2.843 123.618 120.570 0.341 0.000 2.948 377 I HA 0.072 4.242 4.170 -0.000 0.000 0.303 377 I C 0.623 176.791 176.117 0.085 0.000 1.224 377 I CA 0.716 62.102 61.300 0.145 0.000 1.442 377 I CB 0.131 38.167 38.000 0.059 0.000 1.328 377 I HN 0.752 nan 8.210 nan 0.000 0.578 378 A N 7.189 129.958 122.820 -0.085 0.000 2.350 378 A HA 0.552 4.872 4.320 -0.000 0.000 0.324 378 A C 1.022 178.426 177.584 -0.301 0.000 1.118 378 A CA -0.776 51.172 52.037 -0.149 0.000 0.783 378 A CB 1.332 20.220 19.000 -0.187 0.000 1.236 378 A HN 0.792 nan 8.150 nan 0.000 0.457 379 M N 0.683 120.138 119.600 -0.242 0.000 2.106 379 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 379 M C 1.042 177.160 176.300 -0.303 0.000 1.068 379 M CA 2.481 57.608 55.300 -0.288 0.000 1.100 379 M CB -0.998 31.550 32.600 -0.086 0.000 1.351 379 M HN 0.707 nan 8.290 nan 0.000 0.404 380 E N 0.901 120.931 120.200 -0.284 0.000 2.153 380 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 380 E C 1.749 178.231 176.600 -0.196 0.000 0.988 380 E CA 1.280 57.426 56.400 -0.423 0.000 0.811 380 E CB -0.592 28.817 29.700 -0.485 0.000 0.746 380 E HN 0.536 nan 8.360 nan 0.000 0.466 381 F N 1.903 121.484 119.950 -0.615 0.000 2.113 381 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 381 F C 1.762 177.448 175.800 -0.191 0.000 1.103 381 F CA 1.444 59.095 58.000 -0.582 0.000 1.248 381 F CB -0.906 37.485 39.000 -1.014 0.000 0.999 381 F HN 0.054 nan 8.300 nan 0.000 0.475 382 N N 0.038 118.502 118.700 -0.393 0.000 2.020 382 N HA -0.314 4.426 4.740 -0.000 0.000 0.200 382 N C 1.925 176.892 175.510 -0.906 0.000 1.054 382 N CA 2.053 54.499 53.050 -1.007 0.000 0.874 382 N CB -0.350 37.696 38.487 -0.735 0.000 1.075 382 N HN 0.435 nan 8.380 nan 0.000 0.446 383 Q N 0.475 119.884 119.800 -0.652 0.000 2.156 383 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 383 Q C 2.328 178.046 176.000 -0.469 0.000 0.995 383 Q CA 1.790 57.158 55.803 -0.725 0.000 0.877 383 Q CB -0.325 28.293 28.738 -0.200 0.000 0.920 383 Q HN 0.579 nan 8.270 nan 0.000 0.416 384 L N -0.734 120.491 121.223 0.004 0.000 2.083 384 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 384 L C 1.804 178.785 176.870 0.184 0.000 1.083 384 L CA 1.310 56.277 54.840 0.211 0.000 0.752 384 L CB -0.208 42.062 42.059 0.352 0.000 0.899 384 L HN 0.270 nan 8.230 nan 0.000 0.433 385 Y N -0.053 120.121 120.300 -0.210 0.000 2.584 385 Y HA -0.058 4.492 4.550 -0.000 0.000 0.317 385 Y C 0.403 176.005 175.900 -0.495 0.000 1.208 385 Y CA -0.261 57.538 58.100 -0.502 0.000 1.299 385 Y CB -0.248 37.916 38.460 -0.494 0.000 1.047 385 Y HN 0.301 nan 8.280 nan 0.000 0.506 386 H N 0.753 119.862 119.070 0.066 0.000 3.216 386 H HA -0.016 4.540 4.556 -0.000 0.000 0.263 386 H C -0.315 175.347 175.328 0.557 0.000 1.601 386 H CA -0.630 55.566 56.048 0.246 0.000 1.509 386 H CB -0.178 29.765 29.762 0.302 0.000 1.759 386 H HN 0.239 nan 8.280 nan 0.000 0.533 387 F N 0.765 120.899 119.950 0.307 0.000 2.777 387 F HA 0.073 4.600 4.527 -0.000 0.000 0.291 387 F C 1.245 177.129 175.800 0.139 0.000 1.187 387 F CA -0.590 57.565 58.000 0.259 0.000 1.406 387 F CB -0.892 38.294 39.000 0.311 0.000 0.982 387 F HN 0.562 nan 8.300 nan 0.000 0.509 388 H N 1.219 120.513 119.070 0.373 0.000 2.394 388 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 388 H C -0.472 175.006 175.328 0.250 0.000 1.113 388 H CA 2.123 58.325 56.048 0.257 0.000 1.277 388 H CB -1.486 28.387 29.762 0.184 0.000 1.370 388 H HN 0.140 nan 8.280 nan 0.000 0.506 389 P HA -0.111 nan 4.420 nan 0.000 0.236 389 P C 0.946 178.370 177.300 0.205 0.000 1.172 389 P CA 0.968 64.212 63.100 0.239 0.000 0.759 389 P CB -0.056 31.750 31.700 0.176 0.000 0.843 390 L N -1.845 119.505 121.223 0.212 0.000 2.156 390 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 390 L C 1.588 178.536 176.870 0.131 0.000 1.095 390 L CA 0.551 55.491 54.840 0.166 0.000 0.770 390 L CB -0.645 41.540 42.059 0.210 0.000 0.914 390 L HN -0.004 nan 8.230 nan 0.000 0.439 391 M N 1.545 121.226 119.600 0.135 0.000 2.252 391 M HA 0.111 4.591 4.480 -0.000 0.000 0.348 391 M C -1.673 174.648 176.300 0.036 0.000 1.334 391 M CA -2.012 53.325 55.300 0.060 0.000 1.071 391 M CB -0.032 32.703 32.600 0.226 0.000 1.763 391 M HN -0.143 nan 8.290 nan 0.000 0.452 392 P HA 0.003 nan 4.420 nan 0.000 0.300 392 P C 0.035 177.196 177.300 -0.232 0.000 1.294 392 P CA 0.180 63.011 63.100 -0.449 0.000 0.757 392 P CB 0.877 32.166 31.700 -0.684 0.000 1.377 393 D N -1.758 118.427 120.400 -0.358 0.000 2.369 393 D HA 0.024 4.664 4.640 -0.000 0.000 0.231 393 D C 1.062 177.490 176.300 0.212 0.000 0.967 393 D CA 1.079 55.021 54.000 -0.097 0.000 0.905 393 D CB 0.083 40.755 40.800 -0.213 0.000 1.044 393 D HN 0.456 nan 8.370 nan 0.000 0.487 394 S N -0.913 114.813 115.700 0.044 0.000 2.740 394 S HA 0.634 5.104 4.470 -0.000 0.000 0.300 394 S C -1.223 173.365 174.600 -0.020 0.000 1.147 394 S CA -0.820 57.539 58.200 0.266 0.000 0.871 394 S CB 1.410 64.723 63.200 0.187 0.000 1.173 394 S HN -0.112 nan 8.310 nan 0.000 0.510 395 F N 0.522 120.443 119.950 -0.048 0.000 2.366 395 F HA 0.657 5.184 4.527 -0.000 0.000 0.366 395 F C 1.002 176.814 175.800 0.021 0.000 1.096 395 F CA -0.776 57.141 58.000 -0.139 0.000 1.060 395 F CB 0.773 39.421 39.000 -0.586 0.000 1.282 395 F HN 0.927 nan 8.300 nan 0.000 0.450 396 R N 1.269 121.842 120.500 0.121 0.000 2.298 396 R HA 0.696 5.036 4.340 -0.000 0.000 0.310 396 R C -0.881 175.467 176.300 0.080 0.000 1.068 396 R CA -0.355 55.811 56.100 0.110 0.000 0.957 396 R CB 0.469 30.793 30.300 0.039 0.000 1.003 396 R HN 0.510 nan 8.270 nan 0.000 0.454 397 V N 3.289 123.249 119.914 0.076 0.000 2.313 397 V HA 0.592 4.712 4.120 -0.000 0.000 0.262 397 V C 1.149 177.196 176.094 -0.079 0.000 1.011 397 V CA 0.210 62.434 62.300 -0.127 0.000 0.858 397 V CB -0.163 31.428 31.823 -0.386 0.000 1.104 397 V HN 1.672 nan 8.190 nan 0.000 0.456 398 G N 5.811 114.582 108.800 -0.049 0.000 2.512 398 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.254 398 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.254 398 G C -0.817 174.104 174.900 0.035 0.000 1.199 398 G CA 0.191 45.290 45.100 -0.002 0.000 0.941 398 G HN 0.502 nan 8.290 nan 0.000 0.569 399 P HA 0.208 nan 4.420 nan 0.000 0.223 399 P C 1.334 178.667 177.300 0.055 0.000 1.151 399 P CA 2.404 65.534 63.100 0.050 0.000 0.787 399 P CB -0.478 31.252 31.700 0.051 0.000 0.788 400 Q N 1.008 120.867 119.800 0.099 0.000 2.870 400 Q HA 0.148 4.488 4.340 -0.000 0.000 0.193 400 Q C 0.024 176.045 176.000 0.035 0.000 1.148 400 Q CA 0.998 56.843 55.803 0.070 0.000 1.212 400 Q CB -0.598 28.302 28.738 0.271 0.000 1.290 400 Q HN 0.229 nan 8.270 nan 0.000 0.686 401 D N -1.934 118.424 120.400 -0.069 0.000 3.491 401 D HA 0.171 4.811 4.640 -0.000 0.000 0.240 401 D C -1.801 174.504 176.300 0.008 0.000 1.487 401 D CA -0.245 53.774 54.000 0.033 0.000 0.936 401 D CB -0.798 40.012 40.800 0.017 0.000 1.451 401 D HN 0.546 nan 8.370 nan 0.000 0.678 402 Y N 0.831 121.228 120.300 0.161 0.000 2.620 402 Y HA 0.231 4.781 4.550 -0.000 0.000 0.330 402 Y C 1.496 177.534 175.900 0.230 0.000 1.186 402 Y CA 0.114 58.329 58.100 0.192 0.000 1.467 402 Y CB 0.781 39.376 38.460 0.225 0.000 1.262 402 Y HN 0.157 nan 8.280 nan 0.000 0.550 403 S N 2.712 118.612 115.700 0.332 0.000 2.617 403 S HA 0.116 4.586 4.470 -0.000 0.000 0.269 403 S C 0.987 175.822 174.600 0.391 0.000 1.292 403 S CA -0.623 57.794 58.200 0.361 0.000 1.010 403 S CB 0.410 63.763 63.200 0.256 0.000 0.944 403 S HN 0.686 nan 8.310 nan 0.000 0.536 404 Y N 1.487 121.895 120.300 0.181 0.000 2.069 404 Y HA -0.247 4.303 4.550 -0.000 0.000 0.278 404 Y C 3.028 178.963 175.900 0.059 0.000 1.175 404 Y CA 2.384 60.529 58.100 0.074 0.000 1.134 404 Y CB -0.958 37.412 38.460 -0.150 0.000 0.965 404 Y HN 0.952 nan 8.280 nan 0.000 0.498 405 E N 0.986 121.303 120.200 0.194 0.000 2.086 405 E HA -0.333 4.017 4.350 -0.000 0.000 0.200 405 E C 1.714 178.420 176.600 0.178 0.000 1.012 405 E CA 2.013 58.503 56.400 0.149 0.000 0.812 405 E CB -1.187 28.574 29.700 0.102 0.000 0.743 405 E HN 0.812 nan 8.360 nan 0.000 0.453 406 Q N -2.213 117.716 119.800 0.215 0.000 2.451 406 Q HA 0.198 4.538 4.340 -0.000 0.000 0.206 406 Q C 1.851 178.020 176.000 0.282 0.000 0.947 406 Q CA 0.861 56.816 55.803 0.253 0.000 0.937 406 Q CB -0.038 28.883 28.738 0.305 0.000 1.025 406 Q HN 0.525 nan 8.270 nan 0.000 0.511 407 F N 1.336 121.292 119.950 0.010 0.000 2.390 407 F HA 0.280 4.807 4.527 -0.000 0.000 0.281 407 F C 0.676 176.345 175.800 -0.218 0.000 1.016 407 F CA -0.455 57.425 58.000 -0.199 0.000 1.286 407 F CB 0.178 38.833 39.000 -0.575 0.000 1.134 407 F HN -0.119 nan 8.300 nan 0.000 0.597 408 L N 1.809 122.920 121.223 -0.187 0.000 2.529 408 L HA -0.115 4.225 4.340 -0.000 0.000 0.287 408 L C 0.678 177.491 176.870 -0.095 0.000 1.241 408 L CA 0.278 54.935 54.840 -0.305 0.000 0.857 408 L CB -0.307 41.715 42.059 -0.061 0.000 1.113 408 L HN 0.400 nan 8.230 nan 0.000 0.504 409 F N -0.810 119.019 119.950 -0.202 0.000 3.033 409 F HA -0.360 4.167 4.527 -0.000 0.000 0.313 409 F C 1.390 177.121 175.800 -0.114 0.000 0.733 409 F CA 1.027 58.948 58.000 -0.131 0.000 0.978 409 F CB -1.795 37.172 39.000 -0.055 0.000 1.392 409 F HN 0.744 nan 8.300 nan 0.000 0.350 410 N N 0.896 119.567 118.700 -0.049 0.000 2.237 410 N HA 0.017 4.757 4.740 -0.000 0.000 0.222 410 N C 1.070 176.557 175.510 -0.038 0.000 1.311 410 N CA 1.683 54.709 53.050 -0.040 0.000 0.880 410 N CB 0.788 39.202 38.487 -0.122 0.000 1.106 410 N HN 0.273 nan 8.380 nan 0.000 0.435 411 T N 0.092 114.644 114.554 -0.004 0.000 3.467 411 T HA 0.130 4.480 4.350 -0.000 0.000 0.258 411 T C 1.949 176.645 174.700 -0.008 0.000 0.999 411 T CA 0.640 62.750 62.100 0.017 0.000 1.148 411 T CB -1.057 67.845 68.868 0.056 0.000 1.186 411 T HN 0.609 nan 8.240 nan 0.000 0.401 412 S N 1.899 117.593 115.700 -0.011 0.000 2.423 412 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 412 S C 2.005 176.587 174.600 -0.031 0.000 1.028 412 S CA 1.960 60.142 58.200 -0.030 0.000 1.000 412 S CB -0.873 62.312 63.200 -0.026 0.000 0.797 412 S HN 0.412 nan 8.310 nan 0.000 0.487 413 M N -0.066 119.528 119.600 -0.011 0.000 2.082 413 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 413 M C 2.139 178.515 176.300 0.126 0.000 1.069 413 M CA 1.882 57.212 55.300 0.050 0.000 1.102 413 M CB -0.162 32.439 32.600 0.002 0.000 1.336 413 M HN 0.528 nan 8.290 nan 0.000 0.404 414 L N 0.037 121.304 121.223 0.073 0.000 2.017 414 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 414 L C 1.969 178.946 176.870 0.178 0.000 1.073 414 L CA 1.741 56.658 54.840 0.129 0.000 0.745 414 L CB -0.844 41.285 42.059 0.115 0.000 0.894 414 L HN 0.214 nan 8.230 nan 0.000 0.432 415 V N 0.148 120.093 119.914 0.052 0.000 3.306 415 V HA -0.028 4.092 4.120 -0.000 0.000 0.264 415 V C 2.407 178.479 176.094 -0.037 0.000 1.149 415 V CA 1.255 63.508 62.300 -0.078 0.000 1.143 415 V CB -1.413 30.200 31.823 -0.350 0.000 0.767 415 V HN 0.667 nan 8.190 nan 0.000 0.476 416 D N -1.035 119.343 120.400 -0.036 0.000 2.154 416 D HA -0.159 4.481 4.640 -0.000 0.000 0.211 416 D C 1.892 178.133 176.300 -0.098 0.000 0.977 416 D CA 1.127 55.052 54.000 -0.126 0.000 0.869 416 D CB -0.640 40.006 40.800 -0.256 0.000 1.022 416 D HN 0.500 nan 8.370 nan 0.000 0.461 417 Y N 0.580 120.891 120.300 0.017 0.000 2.263 417 Y HA 0.342 4.892 4.550 -0.000 0.000 0.292 417 Y C 1.910 177.824 175.900 0.024 0.000 1.130 417 Y CA 1.020 59.128 58.100 0.012 0.000 1.179 417 Y CB 0.040 38.488 38.460 -0.020 0.000 0.998 417 Y HN 0.590 nan 8.280 nan 0.000 0.532 418 G N -0.598 108.330 108.800 0.213 0.000 2.719 418 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 418 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 418 G C 0.325 175.280 174.900 0.092 0.000 1.201 418 G CA -0.520 44.684 45.100 0.174 0.000 0.768 418 G HN 0.052 nan 8.290 nan 0.000 0.629 419 V N 2.304 122.236 119.914 0.030 0.000 2.217 419 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 419 V C 2.734 178.794 176.094 -0.057 0.000 1.050 419 V CA 3.313 65.583 62.300 -0.050 0.000 1.007 419 V CB -1.073 30.677 31.823 -0.120 0.000 0.639 419 V HN 0.994 nan 8.190 nan 0.000 0.452 420 E N 0.473 120.644 120.200 -0.048 0.000 2.154 420 E HA -0.361 3.989 4.350 -0.000 0.000 0.240 420 E C 2.160 178.729 176.600 -0.052 0.000 1.059 420 E CA 2.259 58.632 56.400 -0.044 0.000 0.954 420 E CB -1.059 28.630 29.700 -0.020 0.000 0.842 420 E HN 0.602 nan 8.360 nan 0.000 0.508 421 A N 0.586 123.391 122.820 -0.026 0.000 1.948 421 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 421 A C 2.151 179.643 177.584 -0.154 0.000 1.177 421 A CA 1.512 53.522 52.037 -0.044 0.000 0.636 421 A CB -0.602 18.417 19.000 0.032 0.000 0.815 421 A HN 0.302 nan 8.150 nan 0.000 0.449 422 L N -0.343 120.778 121.223 -0.170 0.000 2.465 422 L HA -0.032 4.308 4.340 -0.000 0.000 0.224 422 L C 2.108 178.656 176.870 -0.537 0.000 1.145 422 L CA 1.044 55.659 54.840 -0.375 0.000 0.834 422 L CB -0.240 41.706 42.059 -0.188 0.000 0.944 422 L HN 0.300 nan 8.230 nan 0.000 0.451 423 V N -0.508 119.245 119.914 -0.268 0.000 2.374 423 V HA -0.182 3.938 4.120 -0.000 0.000 0.241 423 V C 2.049 178.067 176.094 -0.126 0.000 1.034 423 V CA 1.526 63.732 62.300 -0.156 0.000 1.037 423 V CB -0.059 31.707 31.823 -0.095 0.000 0.682 423 V HN 0.358 nan 8.190 nan 0.000 0.463 424 D N 0.232 120.576 120.400 -0.094 0.000 2.322 424 D HA -0.188 4.452 4.640 -0.000 0.000 0.210 424 D C 1.853 178.124 176.300 -0.048 0.000 0.983 424 D CA 1.419 55.412 54.000 -0.011 0.000 0.902 424 D CB 0.076 40.873 40.800 -0.005 0.000 0.905 424 D HN 0.443 nan 8.370 nan 0.000 0.483 425 A N -0.773 121.917 122.820 -0.217 0.000 1.878 425 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 425 A C 1.659 179.185 177.584 -0.096 0.000 1.192 425 A CA 0.520 52.403 52.037 -0.255 0.000 0.619 425 A CB -0.645 18.049 19.000 -0.510 0.000 0.837 425 A HN 0.254 nan 8.150 nan 0.000 0.446 426 F N 1.013 121.014 119.950 0.086 0.000 2.259 426 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 426 F C 2.390 178.261 175.800 0.117 0.000 1.088 426 F CA 0.898 58.972 58.000 0.124 0.000 1.358 426 F CB -0.910 38.234 39.000 0.240 0.000 1.040 426 F HN 0.072 nan 8.300 nan 0.000 0.505 427 S N -0.375 115.486 115.700 0.267 0.000 2.603 427 S HA -0.031 4.439 4.470 -0.000 0.000 0.229 427 S C 1.846 176.618 174.600 0.286 0.000 0.972 427 S CA 0.584 58.939 58.200 0.258 0.000 0.935 427 S CB -0.169 63.153 63.200 0.203 0.000 0.769 427 S HN 0.385 nan 8.310 nan 0.000 0.536 428 R N 0.099 120.701 120.500 0.171 0.000 2.276 428 R HA 0.212 4.552 4.340 -0.000 0.000 0.195 428 R C 0.826 177.163 176.300 0.063 0.000 0.908 428 R CA -0.045 56.097 56.100 0.069 0.000 1.083 428 R CB 0.191 30.491 30.300 -0.001 0.000 1.182 428 R HN 0.264 nan 8.270 nan 0.000 0.608 429 Q N 3.565 123.416 119.800 0.085 0.000 2.293 429 Q HA 0.147 4.487 4.340 -0.000 0.000 0.263 429 Q C -2.186 173.855 176.000 0.068 0.000 1.002 429 Q CA -2.108 53.729 55.803 0.058 0.000 0.910 429 Q CB 0.956 29.719 28.738 0.042 0.000 1.185 429 Q HN -0.040 nan 8.270 nan 0.000 0.401 430 P HA 0.005 nan 4.420 nan 0.000 0.270 430 P C -1.183 176.201 177.300 0.140 0.000 1.223 430 P CA 0.045 63.212 63.100 0.112 0.000 0.785 430 P CB 0.809 32.592 31.700 0.139 0.000 0.923 431 A N 1.830 124.719 122.820 0.115 0.000 2.256 431 A HA 0.704 5.024 4.320 -0.000 0.000 0.318 431 A C 0.502 178.193 177.584 0.178 0.000 1.103 431 A CA -0.299 51.806 52.037 0.114 0.000 0.860 431 A CB 0.264 19.301 19.000 0.061 0.000 1.182 431 A HN 0.588 nan 8.150 nan 0.000 0.501 432 G N -0.513 108.412 108.800 0.209 0.000 2.451 432 G HA2 0.496 4.456 3.960 -0.000 0.000 0.303 432 G HA3 0.496 4.456 3.960 -0.000 0.000 0.303 432 G C 0.041 174.906 174.900 -0.059 0.000 1.166 432 G CA -0.714 44.463 45.100 0.128 0.000 0.884 432 G HN 0.866 nan 8.290 nan 0.000 0.514 433 R N 1.591 121.987 120.500 -0.172 0.000 2.489 433 R HA 0.133 4.473 4.340 -0.000 0.000 0.287 433 R C 0.770 177.013 176.300 -0.095 0.000 1.053 433 R CA -0.367 55.632 56.100 -0.169 0.000 1.036 433 R CB 0.300 30.487 30.300 -0.189 0.000 0.966 433 R HN 0.525 nan 8.270 nan 0.000 0.432 434 I N 3.102 123.607 120.570 -0.110 0.000 2.439 434 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 434 I C 1.506 177.612 176.117 -0.018 0.000 1.139 434 I CA 1.062 62.342 61.300 -0.033 0.000 1.438 434 I CB -0.257 37.704 38.000 -0.066 0.000 1.085 434 I HN 0.745 nan 8.210 nan 0.000 0.427 435 G N -1.045 107.733 108.800 -0.037 0.000 2.532 435 G HA2 0.458 4.418 3.960 -0.000 0.000 0.291 435 G HA3 0.458 4.418 3.960 -0.000 0.000 0.291 435 G C 0.852 175.707 174.900 -0.074 0.000 1.349 435 G CA 0.184 45.255 45.100 -0.049 0.000 1.038 435 G HN 0.378 nan 8.290 nan 0.000 0.518 436 G N -1.752 106.997 108.800 -0.086 0.000 2.579 436 G HA2 0.344 4.304 3.960 -0.000 0.000 0.222 436 G HA3 0.344 4.304 3.960 -0.000 0.000 0.222 436 G C 1.291 176.144 174.900 -0.077 0.000 1.201 436 G CA 0.993 46.045 45.100 -0.079 0.000 0.710 436 G HN 2.888 nan 8.290 nan 0.000 0.516 437 G N -0.963 107.796 108.800 -0.068 0.000 2.570 437 G HA2 0.456 4.416 3.960 -0.000 0.000 0.686 437 G HA3 0.456 4.416 3.960 -0.000 0.000 0.686 437 G C 0.049 174.940 174.900 -0.016 0.000 1.257 437 G CA 0.313 45.385 45.100 -0.047 0.000 0.846 437 G HN 1.748 nan 8.290 nan 0.000 0.627 438 R N -0.552 119.953 120.500 0.009 0.000 3.084 438 R HA -0.186 4.154 4.340 -0.000 0.000 0.258 438 R C 0.366 176.672 176.300 0.010 0.000 0.914 438 R CA 1.096 57.201 56.100 0.009 0.000 0.646 438 R CB -1.603 28.698 30.300 0.001 0.000 1.330 438 R HN 0.772 nan 8.270 nan 0.000 0.465 439 N N 0.072 118.791 118.700 0.031 0.000 1.997 439 N HA 0.146 4.886 4.740 -0.000 0.000 0.225 439 N C -0.407 175.167 175.510 0.105 0.000 1.383 439 N CA -0.275 52.810 53.050 0.059 0.000 0.770 439 N CB 0.655 39.165 38.487 0.038 0.000 1.178 439 N HN 0.164 nan 8.380 nan 0.000 0.515 440 I N 1.950 122.580 120.570 0.099 0.000 2.322 440 I HA 0.075 4.245 4.170 -0.000 0.000 0.292 440 I C 0.182 176.358 176.117 0.098 0.000 1.060 440 I CA -0.328 61.054 61.300 0.138 0.000 1.309 440 I CB 0.528 38.614 38.000 0.143 0.000 1.415 440 I HN 0.117 nan 8.210 nan 0.000 0.492 441 D N 5.068 125.534 120.400 0.109 0.000 2.478 441 D HA -0.123 4.517 4.640 -0.000 0.000 0.234 441 D C 1.717 178.034 176.300 0.028 0.000 1.154 441 D CA 0.427 54.422 54.000 -0.009 0.000 0.874 441 D CB 0.678 41.499 40.800 0.035 0.000 1.198 441 D HN 0.649 nan 8.370 nan 0.000 0.455 442 H N 1.897 120.847 119.070 -0.200 0.000 2.421 442 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 442 H C 1.116 176.379 175.328 -0.108 0.000 1.087 442 H CA 0.832 56.773 56.048 -0.179 0.000 1.330 442 H CB -0.145 29.468 29.762 -0.249 0.000 1.388 442 H HN 0.517 nan 8.280 nan 0.000 0.526 443 H N 1.749 120.999 119.070 0.301 0.000 2.293 443 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 443 H C 2.587 178.125 175.328 0.349 0.000 1.082 443 H CA 1.714 57.843 56.048 0.134 0.000 1.308 443 H CB -0.148 29.616 29.762 0.003 0.000 1.375 443 H HN 0.657 nan 8.280 nan 0.000 0.495 444 I N -0.912 119.955 120.570 0.495 0.000 3.059 444 I HA -0.042 4.128 4.170 -0.000 0.000 0.270 444 I C 2.103 178.321 176.117 0.168 0.000 1.238 444 I CA 0.378 61.910 61.300 0.387 0.000 1.478 444 I CB -0.240 37.993 38.000 0.388 0.000 1.097 444 I HN -0.051 nan 8.210 nan 0.000 0.455 445 L N 2.994 124.345 121.223 0.213 0.000 2.357 445 L HA -0.263 4.077 4.340 -0.000 0.000 0.220 445 L C 2.741 179.676 176.870 0.108 0.000 1.123 445 L CA 2.068 56.988 54.840 0.132 0.000 0.782 445 L CB -1.199 40.938 42.059 0.130 0.000 0.910 445 L HN 0.588 nan 8.230 nan 0.000 0.442 446 H N -2.687 116.415 119.070 0.053 0.000 2.389 446 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 446 H C 2.029 177.354 175.328 -0.005 0.000 1.081 446 H CA 1.530 57.597 56.048 0.032 0.000 1.345 446 H CB -1.222 28.563 29.762 0.039 0.000 1.393 446 H HN 0.268 nan 8.280 nan 0.000 0.520 447 V N 2.585 122.110 119.914 -0.648 0.000 2.219 447 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 447 V C 3.304 179.233 176.094 -0.275 0.000 1.053 447 V CA 2.414 64.370 62.300 -0.573 0.000 1.009 447 V CB -1.506 29.807 31.823 -0.849 0.000 0.636 447 V HN 0.642 nan 8.190 nan 0.000 0.445 448 A N -0.031 122.690 122.820 -0.164 0.000 1.954 448 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 448 A C 2.333 179.982 177.584 0.107 0.000 1.199 448 A CA 2.808 54.897 52.037 0.086 0.000 0.657 448 A CB -1.013 18.099 19.000 0.187 0.000 0.823 448 A HN 0.454 nan 8.150 nan 0.000 0.463 449 V N 0.048 120.002 119.914 0.066 0.000 2.427 449 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 449 V C 1.952 178.084 176.094 0.064 0.000 1.051 449 V CA 2.015 64.368 62.300 0.089 0.000 1.048 449 V CB -0.774 31.103 31.823 0.090 0.000 0.666 449 V HN 0.500 nan 8.190 nan 0.000 0.456 450 D N 0.288 120.699 120.400 0.018 0.000 2.269 450 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 450 D C 2.141 178.442 176.300 0.001 0.000 0.963 450 D CA 0.966 54.973 54.000 0.011 0.000 0.864 450 D CB 0.236 41.030 40.800 -0.011 0.000 0.936 450 D HN 0.385 nan 8.370 nan 0.000 0.505 451 V N 1.631 121.525 119.914 -0.033 0.000 2.323 451 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 451 V C 2.517 178.614 176.094 0.004 0.000 1.041 451 V CA 1.021 63.269 62.300 -0.086 0.000 1.025 451 V CB -0.363 31.244 31.823 -0.359 0.000 0.656 451 V HN 0.175 nan 8.190 nan 0.000 0.451 452 I N 0.794 121.425 120.570 0.102 0.000 2.394 452 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 452 I C 2.627 178.819 176.117 0.126 0.000 1.136 452 I CA 1.966 63.367 61.300 0.169 0.000 1.425 452 I CB -0.508 37.626 38.000 0.224 0.000 1.079 452 I HN 0.297 nan 8.210 nan 0.000 0.425 453 K N 0.769 121.226 120.400 0.095 0.000 2.057 453 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 453 K C 2.033 178.676 176.600 0.072 0.000 1.050 453 K CA 1.788 58.123 56.287 0.080 0.000 0.935 453 K CB -1.119 31.421 32.500 0.065 0.000 0.715 453 K HN 0.703 nan 8.250 nan 0.000 0.439 454 E N 0.162 120.397 120.200 0.059 0.000 2.072 454 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 454 E C 2.347 178.985 176.600 0.063 0.000 0.985 454 E CA 1.232 57.666 56.400 0.055 0.000 0.801 454 E CB -0.108 29.616 29.700 0.040 0.000 0.750 454 E HN 0.561 nan 8.360 nan 0.000 0.452 455 S N 0.258 116.000 115.700 0.069 0.000 2.387 455 S HA -0.199 4.271 4.470 -0.000 0.000 0.230 455 S C 1.966 176.631 174.600 0.107 0.000 1.035 455 S CA 1.434 59.688 58.200 0.091 0.000 1.014 455 S CB -0.199 63.091 63.200 0.150 0.000 0.836 455 S HN 0.269 nan 8.310 nan 0.000 0.466 456 R N -0.123 120.444 120.500 0.110 0.000 2.115 456 R HA 0.064 4.404 4.340 -0.000 0.000 0.226 456 R C 2.310 178.662 176.300 0.086 0.000 1.100 456 R CA 1.202 57.367 56.100 0.107 0.000 0.980 456 R CB -0.468 29.895 30.300 0.105 0.000 0.875 456 R HN 0.324 nan 8.270 nan 0.000 0.445 457 V N 1.709 121.669 119.914 0.077 0.000 2.255 457 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 457 V C 2.267 178.404 176.094 0.072 0.000 1.051 457 V CA 1.817 64.159 62.300 0.070 0.000 1.018 457 V CB -0.431 31.433 31.823 0.070 0.000 0.641 457 V HN 0.279 nan 8.190 nan 0.000 0.445 458 L N -0.976 120.291 121.223 0.074 0.000 2.131 458 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 458 L C 1.022 177.932 176.870 0.067 0.000 1.092 458 L CA 0.882 55.764 54.840 0.070 0.000 0.759 458 L CB -0.462 41.633 42.059 0.061 0.000 0.903 458 L HN 0.356 nan 8.230 nan 0.000 0.435 459 R N 0.244 120.792 120.500 0.080 0.000 3.096 459 R HA -0.092 4.248 4.340 -0.000 0.000 0.261 459 R C -0.923 175.439 176.300 0.103 0.000 0.988 459 R CA -0.002 56.151 56.100 0.089 0.000 0.661 459 R CB -2.180 28.160 30.300 0.066 0.000 1.274 459 R HN 0.245 nan 8.270 nan 0.000 0.416 460 L N 1.753 123.054 121.223 0.129 0.000 2.305 460 L HA 0.224 4.564 4.340 -0.000 0.000 0.281 460 L C 1.405 178.416 176.870 0.235 0.000 1.085 460 L CA -0.408 54.541 54.840 0.182 0.000 0.813 460 L CB 1.097 43.222 42.059 0.110 0.000 1.157 460 L HN 0.254 nan 8.230 nan 0.000 0.436 461 Q N 3.792 123.715 119.800 0.205 0.000 2.700 461 Q HA 0.103 4.443 4.340 -0.000 0.000 0.232 461 Q C -2.083 174.046 176.000 0.215 0.000 1.110 461 Q CA -1.260 54.591 55.803 0.080 0.000 1.026 461 Q CB -0.070 28.456 28.738 -0.353 0.000 1.311 461 Q HN 0.398 nan 8.270 nan 0.000 0.583 462 P HA -0.089 nan 4.420 nan 0.000 0.274 462 P C 0.017 177.508 177.300 0.318 0.000 1.231 462 P CA -0.058 63.176 63.100 0.222 0.000 0.790 462 P CB 0.462 32.255 31.700 0.154 0.000 0.951 463 F N 3.182 123.233 119.950 0.168 0.000 2.039 463 F HA -0.356 4.171 4.527 -0.000 0.000 0.296 463 F C 2.004 177.897 175.800 0.156 0.000 1.119 463 F CA 2.401 60.502 58.000 0.168 0.000 1.211 463 F CB -1.475 37.502 39.000 -0.040 0.000 0.956 463 F HN 0.283 nan 8.300 nan 0.000 0.496 464 N N 0.450 119.238 118.700 0.147 0.000 2.096 464 N HA -0.210 4.530 4.740 -0.000 0.000 0.195 464 N C 1.797 177.274 175.510 -0.056 0.000 1.017 464 N CA 1.666 54.723 53.050 0.012 0.000 0.870 464 N CB -0.549 37.963 38.487 0.041 0.000 1.024 464 N HN 0.349 nan 8.380 nan 0.000 0.434 465 E N -0.491 119.665 120.200 -0.074 0.000 2.160 465 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 465 E C 1.657 178.117 176.600 -0.234 0.000 0.991 465 E CA 0.912 57.167 56.400 -0.242 0.000 0.810 465 E CB -0.286 29.129 29.700 -0.475 0.000 0.742 465 E HN 0.554 nan 8.360 nan 0.000 0.466 466 Y N 0.180 120.454 120.300 -0.043 0.000 2.420 466 Y HA 0.024 4.574 4.550 -0.000 0.000 0.292 466 Y C 2.357 178.286 175.900 0.047 0.000 1.119 466 Y CA 0.533 58.679 58.100 0.077 0.000 1.229 466 Y CB 0.222 38.828 38.460 0.243 0.000 1.026 466 Y HN -0.087 nan 8.280 nan 0.000 0.554 467 R N 0.554 121.034 120.500 -0.033 0.000 2.081 467 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 467 R C 1.947 178.235 176.300 -0.020 0.000 1.131 467 R CA 1.219 57.249 56.100 -0.116 0.000 0.960 467 R CB -0.298 29.866 30.300 -0.227 0.000 0.856 467 R HN 0.372 nan 8.270 nan 0.000 0.436 468 K N 0.267 120.630 120.400 -0.061 0.000 1.969 468 K HA -0.107 4.213 4.320 -0.000 0.000 0.216 468 K C 2.092 178.650 176.600 -0.071 0.000 1.048 468 K CA 1.044 57.281 56.287 -0.084 0.000 0.948 468 K CB -0.254 32.158 32.500 -0.147 0.000 0.726 468 K HN 0.033 nan 8.250 nan 0.000 0.442 469 R N 0.033 120.466 120.500 -0.112 0.000 2.276 469 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 469 R C 0.791 176.874 176.300 -0.363 0.000 1.161 469 R CA 1.077 57.042 56.100 -0.225 0.000 1.007 469 R CB -0.128 29.993 30.300 -0.299 0.000 0.867 469 R HN 0.168 nan 8.270 nan 0.000 0.472 470 F N -0.353 119.565 119.950 -0.053 0.000 2.925 470 F HA 0.248 4.775 4.527 -0.000 0.000 0.302 470 F C 1.223 176.993 175.800 -0.050 0.000 1.189 470 F CA 0.196 58.162 58.000 -0.058 0.000 1.346 470 F CB 0.837 39.804 39.000 -0.056 0.000 0.954 470 F HN 0.085 nan 8.300 nan 0.000 0.506 471 G N 0.841 109.659 108.800 0.030 0.000 2.179 471 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 471 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 471 G C 0.121 175.035 174.900 0.023 0.000 1.010 471 G CA 0.339 45.456 45.100 0.028 0.000 0.736 471 G HN 0.365 nan 8.290 nan 0.000 0.513 472 M N -0.842 118.762 119.600 0.007 0.000 2.821 472 M HA 0.745 5.225 4.480 -0.000 0.000 0.304 472 M C 0.440 176.696 176.300 -0.073 0.000 1.233 472 M CA -0.309 54.968 55.300 -0.037 0.000 0.851 472 M CB 1.508 34.074 32.600 -0.057 0.000 1.723 472 M HN 0.255 nan 8.290 nan 0.000 0.493 473 K N 1.351 121.679 120.400 -0.120 0.000 2.098 473 K HA 0.694 5.014 4.320 -0.000 0.000 0.258 473 K C -2.854 173.634 176.600 -0.188 0.000 0.973 473 K CA -1.763 54.445 56.287 -0.131 0.000 0.898 473 K CB -0.187 32.233 32.500 -0.133 0.000 1.057 473 K HN 0.502 nan 8.250 nan 0.000 0.447 474 P HA 0.163 nan 4.420 nan 0.000 0.275 474 P C -0.967 176.263 177.300 -0.117 0.000 1.227 474 P CA -0.256 62.788 63.100 -0.093 0.000 0.781 474 P CB 0.231 31.905 31.700 -0.043 0.000 0.906 475 Y N 0.734 121.008 120.300 -0.043 0.000 2.526 475 Y HA -0.012 4.538 4.550 -0.000 0.000 0.330 475 Y C 2.210 178.078 175.900 -0.053 0.000 1.156 475 Y CA 0.886 58.957 58.100 -0.047 0.000 1.419 475 Y CB 0.152 38.572 38.460 -0.067 0.000 1.250 475 Y HN 0.355 nan 8.280 nan 0.000 0.540 476 T N 0.166 114.769 114.554 0.083 0.000 2.985 476 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 476 T C 0.289 175.030 174.700 0.068 0.000 1.076 476 T CA 1.003 63.136 62.100 0.055 0.000 1.135 476 T CB -0.096 68.793 68.868 0.035 0.000 0.890 476 T HN 0.594 nan 8.240 nan 0.000 0.480 477 S N -1.068 114.683 115.700 0.085 0.000 2.579 477 S HA 0.541 5.011 4.470 -0.000 0.000 0.272 477 S C 0.076 174.696 174.600 0.033 0.000 1.141 477 S CA -0.872 57.378 58.200 0.084 0.000 0.843 477 S CB 0.590 63.852 63.200 0.103 0.000 1.122 477 S HN -0.046 nan 8.310 nan 0.000 0.468 478 F N 1.479 121.429 119.950 -0.000 0.000 2.171 478 F HA 0.006 4.533 4.527 -0.000 0.000 0.300 478 F C 3.322 179.078 175.800 -0.073 0.000 1.090 478 F CA 2.575 60.535 58.000 -0.067 0.000 1.293 478 F CB -0.719 38.240 39.000 -0.069 0.000 1.013 478 F HN 0.872 nan 8.300 nan 0.000 0.486 479 Q N 0.394 120.285 119.800 0.151 0.000 2.061 479 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 479 Q C 2.048 178.079 176.000 0.052 0.000 0.984 479 Q CA 1.914 57.767 55.803 0.083 0.000 0.846 479 Q CB -1.258 27.526 28.738 0.077 0.000 0.902 479 Q HN 0.622 nan 8.270 nan 0.000 0.421 480 E N -0.439 119.810 120.200 0.081 0.000 2.153 480 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 480 E C 2.031 178.705 176.600 0.123 0.000 0.988 480 E CA 1.183 57.670 56.400 0.146 0.000 0.811 480 E CB -0.100 29.738 29.700 0.230 0.000 0.746 480 E HN 0.536 nan 8.360 nan 0.000 0.466 481 L N 0.973 122.105 121.223 -0.151 0.000 2.056 481 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 481 L C 1.050 177.700 176.870 -0.368 0.000 1.078 481 L CA 1.809 56.242 54.840 -0.678 0.000 0.749 481 L CB -0.427 41.177 42.059 -0.757 0.000 0.901 481 L HN 0.124 nan 8.230 nan 0.000 0.433 482 T N -3.838 110.605 114.554 -0.184 0.000 2.829 482 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 482 T C 1.216 175.889 174.700 -0.047 0.000 0.999 482 T CA -0.387 61.642 62.100 -0.119 0.000 0.983 482 T CB 1.355 70.159 68.868 -0.106 0.000 0.968 482 T HN 0.239 nan 8.240 nan 0.000 0.446 483 G N 2.693 111.475 108.800 -0.031 0.000 2.505 483 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 483 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 483 G C 0.612 175.512 174.900 0.000 0.000 1.145 483 G CA 1.454 46.551 45.100 -0.004 0.000 0.761 483 G HN 0.973 nan 8.290 nan 0.000 0.571 484 E N -0.607 119.588 120.200 -0.007 0.000 3.655 484 E HA 0.676 5.026 4.350 -0.000 0.000 0.280 484 E C 1.213 177.818 176.600 0.008 0.000 1.425 484 E CA 0.479 56.880 56.400 0.001 0.000 1.341 484 E CB 0.044 29.743 29.700 -0.001 0.000 1.349 484 E HN 0.199 nan 8.360 nan 0.000 0.775 485 K N -1.424 118.983 120.400 0.012 0.000 2.511 485 K HA 0.327 4.647 4.320 -0.000 0.000 0.209 485 K C 1.882 178.492 176.600 0.016 0.000 1.301 485 K CA 0.844 57.141 56.287 0.018 0.000 0.967 485 K CB -1.014 31.498 32.500 0.019 0.000 1.109 485 K HN 0.490 nan 8.250 nan 0.000 0.561 486 E N 1.388 121.598 120.200 0.017 0.000 1.992 486 E HA -0.120 4.230 4.350 -0.000 0.000 0.202 486 E C 2.111 178.730 176.600 0.031 0.000 1.007 486 E CA 1.871 58.286 56.400 0.026 0.000 0.857 486 E CB -0.817 28.902 29.700 0.031 0.000 0.796 486 E HN 0.544 nan 8.360 nan 0.000 0.486 487 M N 0.186 119.809 119.600 0.039 0.000 2.116 487 M HA -0.204 4.276 4.480 -0.000 0.000 0.255 487 M C 2.794 179.049 176.300 -0.075 0.000 1.075 487 M CA 1.915 57.226 55.300 0.017 0.000 1.087 487 M CB -0.606 31.977 32.600 -0.027 0.000 1.340 487 M HN 0.537 nan 8.290 nan 0.000 0.402 488 A N 0.577 123.379 122.820 -0.031 0.000 1.859 488 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 488 A C 2.386 179.922 177.584 -0.080 0.000 1.209 488 A CA 2.794 54.839 52.037 0.013 0.000 0.639 488 A CB -1.302 17.730 19.000 0.054 0.000 0.835 488 A HN 0.554 nan 8.150 nan 0.000 0.450 489 A N -0.799 121.993 122.820 -0.047 0.000 1.845 489 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 489 A C 2.048 179.564 177.584 -0.113 0.000 1.195 489 A CA 2.077 54.074 52.037 -0.066 0.000 0.616 489 A CB -0.857 18.135 19.000 -0.015 0.000 0.832 489 A HN 0.709 nan 8.150 nan 0.000 0.443 490 E N -0.370 119.805 120.200 -0.042 0.000 2.147 490 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 490 E C 1.836 178.404 176.600 -0.054 0.000 1.005 490 E CA 1.475 57.889 56.400 0.022 0.000 0.810 490 E CB -0.255 29.542 29.700 0.162 0.000 0.736 490 E HN 0.625 nan 8.360 nan 0.000 0.460 491 L N 0.250 121.303 121.223 -0.283 0.000 2.156 491 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 491 L C 2.623 178.976 176.870 -0.862 0.000 1.095 491 L CA 1.143 55.656 54.840 -0.545 0.000 0.770 491 L CB -0.256 41.380 42.059 -0.705 0.000 0.914 491 L HN 0.245 nan 8.230 nan 0.000 0.439 492 E N 1.033 120.690 120.200 -0.905 0.000 2.077 492 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 492 E C 1.245 177.698 176.600 -0.244 0.000 0.989 492 E CA 1.234 57.238 56.400 -0.661 0.000 0.800 492 E CB 0.159 29.681 29.700 -0.297 0.000 0.746 492 E HN 0.459 nan 8.360 nan 0.000 0.452 493 E N 0.761 120.870 120.200 -0.151 0.000 2.346 493 E HA 0.265 4.615 4.350 -0.000 0.000 0.317 493 E C 0.521 177.103 176.600 -0.030 0.000 1.404 493 E CA 0.128 56.497 56.400 -0.052 0.000 1.534 493 E CB -0.501 29.188 29.700 -0.019 0.000 1.309 493 E HN 0.354 nan 8.360 nan 0.000 0.499 494 L N -2.528 118.668 121.223 -0.045 0.000 1.362 494 L HA 0.121 4.461 4.340 -0.000 0.000 0.100 494 L C 1.623 178.451 176.870 -0.070 0.000 1.446 494 L CA -0.106 54.705 54.840 -0.049 0.000 1.142 494 L CB 0.298 42.340 42.059 -0.028 0.000 2.348 494 L HN 0.449 nan 8.230 nan 0.000 0.458 495 Y N 0.629 120.925 120.300 -0.006 0.000 2.314 495 Y HA 0.191 4.741 4.550 -0.000 0.000 0.294 495 Y C 1.887 177.846 175.900 0.097 0.000 1.119 495 Y CA 1.475 59.632 58.100 0.096 0.000 1.179 495 Y CB 0.279 38.880 38.460 0.236 0.000 1.025 495 Y HN 0.400 nan 8.280 nan 0.000 0.541 496 G N -0.498 108.429 108.800 0.212 0.000 2.195 496 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 496 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 496 G C -0.395 174.630 174.900 0.208 0.000 0.984 496 G CA 0.295 45.488 45.100 0.155 0.000 0.633 496 G HN 0.368 nan 8.290 nan 0.000 0.525 497 D N -1.928 118.675 120.400 0.339 0.000 2.711 497 D HA 0.520 5.160 4.640 -0.000 0.000 0.204 497 D C 1.398 177.897 176.300 0.332 0.000 1.257 497 D CA 0.484 54.665 54.000 0.302 0.000 0.808 497 D CB 0.279 41.193 40.800 0.190 0.000 1.780 497 D HN 1.016 nan 8.370 nan 0.000 0.537 498 I N 2.080 122.760 120.570 0.184 0.000 2.381 498 I HA -0.229 3.941 4.170 -0.000 0.000 0.255 498 I C 1.599 177.636 176.117 -0.133 0.000 1.140 498 I CA 2.165 63.286 61.300 -0.298 0.000 1.404 498 I CB -0.552 37.283 38.000 -0.275 0.000 1.075 498 I HN 0.498 nan 8.210 nan 0.000 0.433 499 D N 0.286 120.701 120.400 0.026 0.000 2.310 499 D HA 0.125 4.765 4.640 -0.000 0.000 0.212 499 D C 2.038 178.394 176.300 0.093 0.000 0.965 499 D CA 1.410 55.447 54.000 0.063 0.000 0.879 499 D CB 0.069 40.925 40.800 0.093 0.000 0.921 499 D HN 0.703 nan 8.370 nan 0.000 0.510 500 A N -0.015 122.872 122.820 0.111 0.000 2.390 500 A HA 0.187 4.507 4.320 -0.000 0.000 0.232 500 A C 0.970 178.596 177.584 0.070 0.000 1.233 500 A CA -0.375 51.763 52.037 0.167 0.000 0.907 500 A CB 0.080 19.235 19.000 0.258 0.000 0.967 500 A HN 0.188 nan 8.150 nan 0.000 0.512 501 L N 0.792 121.891 121.223 -0.207 0.000 2.516 501 L HA 0.030 4.370 4.340 -0.000 0.000 0.288 501 L C 0.341 177.040 176.870 -0.285 0.000 1.246 501 L CA 0.241 54.661 54.840 -0.700 0.000 0.844 501 L CB 0.455 42.142 42.059 -0.621 0.000 1.106 501 L HN 0.422 nan 8.230 nan 0.000 0.509 502 E N 2.159 122.189 120.200 -0.283 0.000 2.359 502 E HA 0.016 4.366 4.350 -0.000 0.000 0.255 502 E C 0.140 176.821 176.600 0.134 0.000 1.191 502 E CA -0.388 56.073 56.400 0.101 0.000 0.952 502 E CB 0.776 30.628 29.700 0.253 0.000 1.152 502 E HN 0.604 nan 8.360 nan 0.000 0.496 503 F N 0.364 120.398 119.950 0.141 0.000 2.074 503 F HA -0.171 4.356 4.527 -0.000 0.000 0.290 503 F C 2.223 178.091 175.800 0.113 0.000 1.118 503 F CA 1.198 59.310 58.000 0.187 0.000 1.199 503 F CB -0.370 38.678 39.000 0.079 0.000 1.012 503 F HN 0.524 nan 8.300 nan 0.000 0.472 504 Y N 1.516 121.812 120.300 -0.007 0.000 2.224 504 Y HA -0.042 4.508 4.550 -0.000 0.000 0.289 504 Y C -0.948 174.838 175.900 -0.189 0.000 1.146 504 Y CA 1.261 59.289 58.100 -0.120 0.000 1.182 504 Y CB -1.897 36.592 38.460 0.048 0.000 0.983 504 Y HN 0.076 nan 8.280 nan 0.000 0.524 505 P HA -0.081 nan 4.420 nan 0.000 0.215 505 P C 1.774 178.744 177.300 -0.550 0.000 1.157 505 P CA 2.312 65.239 63.100 -0.288 0.000 0.859 505 P CB -0.382 31.279 31.700 -0.065 0.000 0.786 506 G N -0.161 108.135 108.800 -0.839 0.000 2.418 506 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 506 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 506 G C 1.553 175.686 174.900 -1.278 0.000 1.158 506 G CA 0.473 44.661 45.100 -1.521 0.000 0.771 506 G HN 0.198 nan 8.290 nan 0.000 0.545 507 L N -0.297 120.389 121.223 -0.896 0.000 2.042 507 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 507 L C 2.865 179.488 176.870 -0.411 0.000 1.076 507 L CA 0.863 55.437 54.840 -0.442 0.000 0.749 507 L CB -0.239 41.561 42.059 -0.431 0.000 0.893 507 L HN 0.220 nan 8.230 nan 0.000 0.432 508 L N -1.182 119.748 121.223 -0.488 0.000 2.209 508 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 508 L C 2.079 178.773 176.870 -0.293 0.000 1.094 508 L CA 0.551 55.171 54.840 -0.366 0.000 0.790 508 L CB -0.142 41.652 42.059 -0.442 0.000 0.932 508 L HN 0.231 nan 8.230 nan 0.000 0.447 509 L N -0.229 120.778 121.223 -0.361 0.000 2.591 509 L HA 0.041 4.381 4.340 -0.000 0.000 0.228 509 L C 1.026 177.708 176.870 -0.314 0.000 1.133 509 L CA -0.001 54.652 54.840 -0.311 0.000 0.880 509 L CB -0.104 41.743 42.059 -0.354 0.000 1.033 509 L HN 0.256 nan 8.230 nan 0.000 0.450 510 E N 2.538 122.538 120.200 -0.333 0.000 2.316 510 E HA 0.044 4.394 4.350 -0.000 0.000 0.275 510 E C -0.070 176.422 176.600 -0.179 0.000 1.029 510 E CA -0.641 55.587 56.400 -0.286 0.000 0.871 510 E CB 0.699 30.269 29.700 -0.217 0.000 1.022 510 E HN 0.131 nan 8.360 nan 0.000 0.418 511 K N 4.171 124.484 120.400 -0.144 0.000 2.440 511 K HA -0.012 4.308 4.320 -0.000 0.000 0.275 511 K C -0.016 176.555 176.600 -0.049 0.000 1.082 511 K CA -0.332 55.914 56.287 -0.069 0.000 1.135 511 K CB -0.776 31.711 32.500 -0.021 0.000 0.864 511 K HN 0.467 nan 8.250 nan 0.000 0.479 512 C N 2.465 121.731 119.300 -0.056 0.000 2.580 512 C HA 0.252 4.712 4.460 -0.000 0.000 0.371 512 C C 0.706 175.710 174.990 0.023 0.000 1.308 512 C CA -0.990 57.988 59.018 -0.067 0.000 2.428 512 C CB -0.401 27.305 27.740 -0.058 0.000 2.529 512 C HN 0.835 nan 8.230 nan 0.000 0.657 513 H N 0.995 120.049 119.070 -0.027 0.000 2.895 513 H HA 0.162 4.718 4.556 -0.000 0.000 0.371 513 H C -2.024 173.306 175.328 0.003 0.000 1.219 513 H CA -0.753 55.271 56.048 -0.039 0.000 1.431 513 H CB -0.144 29.529 29.762 -0.149 0.000 1.414 513 H HN 0.505 nan 8.280 nan 0.000 0.617 514 P HA -0.037 nan 4.420 nan 0.000 0.264 514 P C -0.532 176.817 177.300 0.083 0.000 1.236 514 P CA 0.519 63.684 63.100 0.109 0.000 0.811 514 P CB 0.040 31.816 31.700 0.126 0.000 0.840 515 N N -0.408 118.309 118.700 0.028 0.000 2.878 515 N HA -0.208 4.532 4.740 -0.000 0.000 0.247 515 N C 0.388 175.872 175.510 -0.042 0.000 1.021 515 N CA 1.626 54.665 53.050 -0.019 0.000 0.873 515 N CB -2.075 36.398 38.487 -0.023 0.000 1.128 515 N HN 0.556 nan 8.380 nan 0.000 0.571 516 S N -0.076 115.619 115.700 -0.008 0.000 2.632 516 S HA 0.582 5.052 4.470 -0.000 0.000 0.267 516 S C 1.371 175.844 174.600 -0.211 0.000 1.276 516 S CA -0.156 58.004 58.200 -0.066 0.000 0.998 516 S CB 0.480 63.715 63.200 0.058 0.000 0.953 516 S HN 0.304 nan 8.310 nan 0.000 0.547 517 I N -0.270 120.035 120.570 -0.441 0.000 3.059 517 I HA 0.248 4.418 4.170 -0.000 0.000 0.270 517 I C -0.340 175.512 176.117 -0.442 0.000 1.238 517 I CA 0.490 61.459 61.300 -0.552 0.000 1.478 517 I CB -0.229 37.265 38.000 -0.842 0.000 1.097 517 I HN 0.676 nan 8.210 nan 0.000 0.455 518 F N -1.974 117.827 119.950 -0.248 0.000 2.773 518 F HA 0.642 5.169 4.527 -0.000 0.000 0.314 518 F C 0.366 175.966 175.800 -0.334 0.000 1.160 518 F CA -1.230 56.608 58.000 -0.271 0.000 0.920 518 F CB -0.138 38.677 39.000 -0.307 0.000 1.323 518 F HN -0.208 nan 8.300 nan 0.000 0.457 519 G N 0.167 108.935 108.800 -0.053 0.000 2.744 519 G HA2 0.124 4.084 3.960 -0.000 0.000 0.257 519 G HA3 0.124 4.084 3.960 -0.000 0.000 0.257 519 G C 0.438 174.994 174.900 -0.574 0.000 1.244 519 G CA 0.383 45.317 45.100 -0.278 0.000 0.916 519 G HN 1.061 nan 8.290 nan 0.000 0.564 520 E N -0.549 119.293 120.200 -0.596 0.000 2.005 520 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 520 E C 2.609 179.077 176.600 -0.220 0.000 1.010 520 E CA 1.672 57.816 56.400 -0.428 0.000 0.825 520 E CB -0.425 29.355 29.700 0.132 0.000 0.769 520 E HN 0.389 nan 8.360 nan 0.000 0.456 521 S N 0.308 115.940 115.700 -0.113 0.000 2.428 521 S HA -0.266 4.204 4.470 -0.000 0.000 0.240 521 S C 1.717 176.164 174.600 -0.256 0.000 1.036 521 S CA 1.557 59.676 58.200 -0.135 0.000 1.009 521 S CB -0.366 62.804 63.200 -0.049 0.000 0.803 521 S HN 0.292 nan 8.310 nan 0.000 0.486 522 M N 1.704 121.061 119.600 -0.404 0.000 2.065 522 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 522 M C 1.726 177.702 176.300 -0.540 0.000 1.071 522 M CA 1.581 56.488 55.300 -0.656 0.000 1.109 522 M CB -0.724 31.020 32.600 -1.426 0.000 1.313 522 M HN 0.402 nan 8.290 nan 0.000 0.408 523 I N -1.606 118.715 120.570 -0.415 0.000 2.286 523 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 523 I C 1.937 178.017 176.117 -0.063 0.000 1.104 523 I CA 0.852 62.081 61.300 -0.118 0.000 1.397 523 I CB -1.065 37.006 38.000 0.118 0.000 1.072 523 I HN 0.167 nan 8.210 nan 0.000 0.417 524 E N 1.099 121.265 120.200 -0.057 0.000 2.209 524 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 524 E C 2.144 178.680 176.600 -0.106 0.000 0.993 524 E CA 1.438 57.828 56.400 -0.017 0.000 0.819 524 E CB -0.129 29.578 29.700 0.012 0.000 0.745 524 E HN 0.620 nan 8.360 nan 0.000 0.477 525 M N -1.348 118.068 119.600 -0.307 0.000 2.615 525 M HA 0.114 4.594 4.480 -0.000 0.000 0.262 525 M C 2.193 178.228 176.300 -0.440 0.000 1.198 525 M CA 0.732 55.589 55.300 -0.738 0.000 1.165 525 M CB 0.142 32.306 32.600 -0.726 0.000 1.310 525 M HN 0.040 nan 8.290 nan 0.000 0.494 526 G N 0.622 109.306 108.800 -0.193 0.000 2.394 526 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 526 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 526 G C 1.614 176.479 174.900 -0.058 0.000 1.176 526 G CA 0.969 46.045 45.100 -0.039 0.000 0.786 526 G HN 0.455 nan 8.290 nan 0.000 0.533 527 A N 2.073 124.869 122.820 -0.040 0.000 1.869 527 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 527 A C 0.966 178.529 177.584 -0.036 0.000 1.203 527 A CA 2.437 54.473 52.037 -0.002 0.000 0.638 527 A CB -1.493 17.532 19.000 0.040 0.000 0.831 527 A HN 0.407 nan 8.150 nan 0.000 0.450 528 P HA -0.190 nan 4.420 nan 0.000 0.217 528 P C 1.308 178.522 177.300 -0.144 0.000 1.148 528 P CA 1.332 64.384 63.100 -0.080 0.000 0.828 528 P CB -0.264 31.417 31.700 -0.032 0.000 0.783 529 F N 0.463 120.273 119.950 -0.234 0.000 2.118 529 F HA -0.095 4.432 4.527 -0.000 0.000 0.293 529 F C 2.740 178.216 175.800 -0.540 0.000 1.102 529 F CA 0.874 58.545 58.000 -0.548 0.000 1.247 529 F CB -0.737 37.476 39.000 -1.312 0.000 1.017 529 F HN -0.136 nan 8.300 nan 0.000 0.475 530 S N 0.805 116.343 115.700 -0.268 0.000 2.374 530 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 530 S C 1.946 176.590 174.600 0.074 0.000 1.037 530 S CA 1.403 59.605 58.200 0.004 0.000 1.024 530 S CB -0.540 62.748 63.200 0.147 0.000 0.861 530 S HN 0.238 nan 8.310 nan 0.000 0.456 531 L N 0.769 122.028 121.223 0.059 0.000 2.127 531 L HA 0.055 4.395 4.340 -0.000 0.000 0.203 531 L C 2.392 179.345 176.870 0.137 0.000 1.080 531 L CA 0.822 55.721 54.840 0.098 0.000 0.768 531 L CB -0.482 41.623 42.059 0.077 0.000 0.924 531 L HN 0.153 nan 8.230 nan 0.000 0.444 532 K N 1.226 121.696 120.400 0.117 0.000 2.127 532 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 532 K C 1.751 178.419 176.600 0.114 0.000 1.047 532 K CA 2.021 58.406 56.287 0.163 0.000 0.927 532 K CB -0.759 31.794 32.500 0.089 0.000 0.716 532 K HN 0.260 nan 8.250 nan 0.000 0.450 533 G N -0.615 108.224 108.800 0.066 0.000 2.595 533 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.213 533 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.213 533 G C 1.233 176.182 174.900 0.083 0.000 1.141 533 G CA 0.174 45.293 45.100 0.032 0.000 0.806 533 G HN 0.254 nan 8.290 nan 0.000 0.530 534 L N 0.325 121.620 121.223 0.121 0.000 2.141 534 L HA 0.229 4.569 4.340 -0.000 0.000 0.209 534 L C 2.071 179.049 176.870 0.180 0.000 1.094 534 L CA 1.183 56.110 54.840 0.145 0.000 0.763 534 L CB -0.151 41.988 42.059 0.134 0.000 0.908 534 L HN 0.078 nan 8.230 nan 0.000 0.437 535 L N -1.539 119.832 121.223 0.246 0.000 2.664 535 L HA 0.284 4.624 4.340 -0.000 0.000 0.233 535 L C 1.999 179.138 176.870 0.449 0.000 1.113 535 L CA 0.899 55.956 54.840 0.361 0.000 0.896 535 L CB -1.007 41.254 42.059 0.338 0.000 1.163 535 L HN 0.319 nan 8.230 nan 0.000 0.497 536 G N -0.101 108.864 108.800 0.274 0.000 2.920 536 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.208 536 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.208 536 G C 0.785 175.802 174.900 0.196 0.000 1.159 536 G CA -0.202 44.960 45.100 0.103 0.000 0.784 536 G HN 0.298 nan 8.290 nan 0.000 0.535 537 N N 1.218 120.063 118.700 0.242 0.000 2.497 537 N HA 0.084 4.824 4.740 -0.000 0.000 0.268 537 N C -0.944 174.670 175.510 0.175 0.000 1.171 537 N CA -1.564 51.601 53.050 0.192 0.000 0.948 537 N CB 2.161 40.770 38.487 0.204 0.000 1.069 537 N HN -0.095 nan 8.380 nan 0.000 0.460 538 P HA -0.212 nan 4.420 nan 0.000 0.217 538 P C 1.602 178.810 177.300 -0.152 0.000 1.151 538 P CA 1.477 64.460 63.100 -0.195 0.000 0.849 538 P CB -0.109 31.467 31.700 -0.206 0.000 0.787 539 I N -2.730 117.981 120.570 0.235 0.000 2.454 539 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 539 I C 1.921 178.287 176.117 0.414 0.000 1.156 539 I CA 1.528 63.110 61.300 0.470 0.000 1.433 539 I CB -1.272 37.051 38.000 0.540 0.000 1.082 539 I HN -0.139 nan 8.210 nan 0.000 0.432 540 C N 1.830 121.256 119.300 0.210 0.000 2.491 540 C HA 0.080 4.540 4.460 -0.000 0.000 0.277 540 C C 1.966 176.894 174.990 -0.104 0.000 1.455 540 C CA 0.571 59.644 59.018 0.092 0.000 1.758 540 C CB -1.820 26.112 27.740 0.321 0.000 1.745 540 C HN 0.755 nan 8.230 nan 0.000 0.558 541 S N 1.797 117.137 115.700 -0.600 0.000 2.632 541 S HA 0.253 4.723 4.470 -0.000 0.000 0.267 541 S C -1.064 173.407 174.600 -0.216 0.000 1.276 541 S CA -0.766 56.760 58.200 -1.122 0.000 0.998 541 S CB 0.919 63.303 63.200 -1.361 0.000 0.953 541 S HN 0.176 nan 8.310 nan 0.000 0.547 542 P HA -0.115 nan 4.420 nan 0.000 0.217 542 P C 1.232 178.492 177.300 -0.066 0.000 1.150 542 P CA 1.257 64.094 63.100 -0.437 0.000 0.832 542 P CB 0.046 31.267 31.700 -0.798 0.000 0.787 543 E N -0.230 119.925 120.200 -0.076 0.000 2.097 543 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 543 E C 2.042 178.835 176.600 0.322 0.000 1.000 543 E CA 1.640 58.087 56.400 0.079 0.000 0.804 543 E CB -0.870 28.844 29.700 0.024 0.000 0.740 543 E HN 0.445 nan 8.360 nan 0.000 0.454 544 Y N -2.437 117.895 120.300 0.053 0.000 2.441 544 Y HA 0.028 4.578 4.550 -0.000 0.000 0.288 544 Y C 1.077 177.136 175.900 0.265 0.000 1.118 544 Y CA -0.563 57.603 58.100 0.109 0.000 1.215 544 Y CB -0.080 38.435 38.460 0.093 0.000 1.118 544 Y HN 0.077 nan 8.280 nan 0.000 0.547 545 W N 4.931 126.412 121.300 0.301 0.000 1.085 545 W HA 0.002 4.662 4.660 -0.000 0.000 0.560 545 W C -0.792 175.937 176.519 0.350 0.000 0.571 545 W CA 0.864 58.423 57.345 0.356 0.000 2.606 545 W CB -0.629 29.120 29.460 0.482 0.000 1.088 545 W HN 0.117 nan 8.180 nan 0.000 0.177 546 K N 0.470 120.886 120.400 0.027 0.000 2.395 546 K HA 0.475 4.795 4.320 -0.000 0.000 0.247 546 K C 0.634 177.072 176.600 -0.270 0.000 0.973 546 K CA -0.492 55.815 56.287 0.034 0.000 0.828 546 K CB 1.498 34.060 32.500 0.104 0.000 1.272 546 K HN -0.097 nan 8.250 nan 0.000 0.439 547 A N 0.769 123.617 122.820 0.046 0.000 2.015 547 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 547 A C 2.066 179.694 177.584 0.072 0.000 1.163 547 A CA 2.074 54.150 52.037 0.064 0.000 0.646 547 A CB -0.729 18.446 19.000 0.292 0.000 0.806 547 A HN 0.780 nan 8.150 nan 0.000 0.448 548 S N -0.761 114.982 115.700 0.072 0.000 2.383 548 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 548 S C 1.668 176.275 174.600 0.011 0.000 1.026 548 S CA 1.831 60.073 58.200 0.070 0.000 0.981 548 S CB -1.242 61.987 63.200 0.049 0.000 0.818 548 S HN 0.425 nan 8.310 nan 0.000 0.472 549 T N 1.087 115.623 114.554 -0.032 0.000 3.118 549 T HA 0.074 4.424 4.350 -0.000 0.000 0.269 549 T C -0.099 174.294 174.700 -0.512 0.000 1.166 549 T CA 0.916 62.855 62.100 -0.269 0.000 1.073 549 T CB -0.522 68.171 68.868 -0.292 0.000 0.884 549 T HN 0.565 nan 8.240 nan 0.000 0.550 550 F N -0.097 119.736 119.950 -0.194 0.000 2.837 550 F HA 0.427 4.954 4.527 -0.000 0.000 0.328 550 F C 1.166 176.980 175.800 0.022 0.000 1.173 550 F CA -1.398 56.532 58.000 -0.117 0.000 1.160 550 F CB -0.114 38.770 39.000 -0.194 0.000 1.115 550 F HN 0.035 nan 8.300 nan 0.000 0.512 551 G N 1.336 110.260 108.800 0.206 0.000 2.256 551 G HA2 0.275 4.235 3.960 -0.000 0.000 0.218 551 G HA3 0.275 4.235 3.960 -0.000 0.000 0.218 551 G C 0.665 175.724 174.900 0.264 0.000 0.485 551 G CA 0.607 45.863 45.100 0.259 0.000 1.003 551 G HN 1.323 nan 8.290 nan 0.000 0.360 552 G N 1.391 110.352 108.800 0.267 0.000 2.756 552 G HA2 0.032 3.992 3.960 -0.000 0.000 0.678 552 G HA3 0.032 3.992 3.960 -0.000 0.000 0.678 552 G C 0.595 175.597 174.900 0.170 0.000 1.349 552 G CA 0.473 45.706 45.100 0.221 0.000 0.847 552 G HN 0.748 nan 8.290 nan 0.000 0.548 553 E N -0.346 119.929 120.200 0.125 0.000 2.072 553 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 553 E C 3.003 179.667 176.600 0.107 0.000 0.985 553 E CA 1.819 58.287 56.400 0.114 0.000 0.801 553 E CB -0.489 29.245 29.700 0.057 0.000 0.750 553 E HN 0.956 nan 8.360 nan 0.000 0.452 554 V N 0.161 120.127 119.914 0.087 0.000 2.277 554 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 554 V C 2.355 178.512 176.094 0.105 0.000 1.067 554 V CA 2.276 64.623 62.300 0.079 0.000 1.047 554 V CB -1.892 29.972 31.823 0.068 0.000 0.649 554 V HN 0.226 nan 8.190 nan 0.000 0.447 555 G N -0.882 108.004 108.800 0.143 0.000 2.480 555 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 555 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 555 G C 1.407 176.341 174.900 0.056 0.000 1.200 555 G CA 1.138 46.344 45.100 0.177 0.000 0.782 555 G HN 0.409 nan 8.290 nan 0.000 0.554 556 F N 2.519 122.332 119.950 -0.228 0.000 2.065 556 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 556 F C 2.542 178.172 175.800 -0.283 0.000 1.112 556 F CA 1.512 59.202 58.000 -0.517 0.000 1.212 556 F CB -0.528 38.201 39.000 -0.452 0.000 0.975 556 F HN 0.118 nan 8.300 nan 0.000 0.476 557 N N 0.312 119.063 118.700 0.086 0.000 2.443 557 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 557 N C 2.101 177.654 175.510 0.073 0.000 1.037 557 N CA 0.817 53.888 53.050 0.035 0.000 0.896 557 N CB -0.409 38.090 38.487 0.019 0.000 0.959 557 N HN 0.356 nan 8.380 nan 0.000 0.442 558 L N 0.131 121.411 121.223 0.095 0.000 2.095 558 L HA -0.040 4.300 4.340 -0.000 0.000 0.204 558 L C 2.079 179.051 176.870 0.170 0.000 1.080 558 L CA 0.600 55.514 54.840 0.123 0.000 0.759 558 L CB -0.170 41.970 42.059 0.136 0.000 0.914 558 L HN -0.058 nan 8.230 nan 0.000 0.439 559 V N -0.165 119.855 119.914 0.178 0.000 2.515 559 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 559 V C 2.164 178.463 176.094 0.342 0.000 1.058 559 V CA 1.555 64.028 62.300 0.288 0.000 1.064 559 V CB -0.493 31.483 31.823 0.255 0.000 0.675 559 V HN 0.405 nan 8.190 nan 0.000 0.461 560 K N -0.360 120.180 120.400 0.232 0.000 2.432 560 K HA 0.002 4.322 4.320 -0.000 0.000 0.196 560 K C 1.518 178.213 176.600 0.158 0.000 1.038 560 K CA 1.117 57.520 56.287 0.194 0.000 0.986 560 K CB 0.039 32.559 32.500 0.034 0.000 0.782 560 K HN 0.419 nan 8.250 nan 0.000 0.485 561 T N 0.250 114.891 114.554 0.145 0.000 3.040 561 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 561 T C 0.239 175.015 174.700 0.127 0.000 1.005 561 T CA -0.319 61.849 62.100 0.114 0.000 0.906 561 T CB 0.565 69.478 68.868 0.075 0.000 1.082 561 T HN 0.153 nan 8.240 nan 0.000 0.531 562 A N 2.161 125.083 122.820 0.170 0.000 2.584 562 A HA 0.422 4.742 4.320 -0.000 0.000 0.239 562 A C 0.583 178.250 177.584 0.138 0.000 1.043 562 A CA 0.472 52.608 52.037 0.165 0.000 0.756 562 A CB -0.126 19.013 19.000 0.232 0.000 0.963 562 A HN 0.308 nan 8.150 nan 0.000 0.511 563 T N 2.356 116.965 114.554 0.091 0.000 2.907 563 T HA 0.449 4.799 4.350 -0.000 0.000 0.290 563 T C 1.290 176.010 174.700 0.033 0.000 1.066 563 T CA -0.561 61.578 62.100 0.064 0.000 1.012 563 T CB 1.372 70.257 68.868 0.028 0.000 1.184 563 T HN 0.537 nan 8.240 nan 0.000 0.522 564 L N 0.935 122.155 121.223 -0.006 0.000 2.102 564 L HA 0.193 4.533 4.340 -0.000 0.000 0.202 564 L C 2.515 179.321 176.870 -0.107 0.000 1.076 564 L CA 1.245 56.043 54.840 -0.070 0.000 0.761 564 L CB -0.266 41.647 42.059 -0.244 0.000 0.921 564 L HN 0.651 nan 8.230 nan 0.000 0.444 565 K N 0.029 120.362 120.400 -0.112 0.000 2.360 565 K HA -0.216 4.104 4.320 -0.000 0.000 0.201 565 K C 1.821 178.372 176.600 -0.082 0.000 1.046 565 K CA 1.333 57.551 56.287 -0.114 0.000 0.940 565 K CB 0.159 32.599 32.500 -0.100 0.000 0.748 565 K HN 0.320 nan 8.250 nan 0.000 0.465 566 K N -0.206 120.158 120.400 -0.061 0.000 2.214 566 K HA -0.009 4.311 4.320 -0.000 0.000 0.201 566 K C 1.821 178.372 176.600 -0.082 0.000 1.049 566 K CA 0.243 56.500 56.287 -0.050 0.000 0.978 566 K CB -0.025 32.466 32.500 -0.014 0.000 0.842 566 K HN 0.025 nan 8.250 nan 0.000 0.474 567 L N 1.374 122.527 121.223 -0.117 0.000 2.189 567 L HA -0.177 4.163 4.340 -0.000 0.000 0.214 567 L C 1.699 178.443 176.870 -0.209 0.000 1.097 567 L CA 1.508 56.214 54.840 -0.224 0.000 0.764 567 L CB -0.165 41.668 42.059 -0.377 0.000 0.900 567 L HN -0.090 nan 8.230 nan 0.000 0.436 568 V N -2.088 117.734 119.914 -0.153 0.000 2.403 568 V HA -0.198 3.922 4.120 -0.000 0.000 0.228 568 V C 2.302 178.334 176.094 -0.104 0.000 1.082 568 V CA 1.307 63.526 62.300 -0.134 0.000 1.073 568 V CB -0.455 31.295 31.823 -0.122 0.000 0.696 568 V HN 0.446 nan 8.190 nan 0.000 0.485 569 c N 0.502 119.050 118.600 -0.086 0.000 2.380 569 c HA -0.156 4.414 4.570 -0.000 0.000 0.302 569 c C 2.453 176.512 174.090 -0.052 0.000 1.361 569 c CA 0.697 56.988 56.329 -0.063 0.000 1.819 569 c CB -1.504 40.974 42.510 -0.055 0.000 1.868 569 c HN 0.508 nan 8.230 nan 0.000 0.547 570 L N 0.387 121.576 121.223 -0.057 0.000 2.477 570 L HA 0.147 4.487 4.340 -0.000 0.000 0.220 570 L C 1.403 178.245 176.870 -0.048 0.000 1.106 570 L CA 1.498 56.312 54.840 -0.042 0.000 0.851 570 L CB -0.428 41.610 42.059 -0.034 0.000 0.994 570 L HN 0.344 nan 8.230 nan 0.000 0.462 571 N N -0.680 117.978 118.700 -0.069 0.000 2.389 571 N HA 0.147 4.887 4.740 -0.000 0.000 0.260 571 N C 0.166 175.627 175.510 -0.081 0.000 1.191 571 N CA 0.303 53.308 53.050 -0.075 0.000 0.885 571 N CB 0.893 39.323 38.487 -0.094 0.000 1.162 571 N HN 0.313 nan 8.380 nan 0.000 0.512 572 T N -4.758 109.758 114.554 -0.064 0.000 2.716 572 T HA 0.545 4.895 4.350 -0.000 0.000 0.286 572 T C 1.109 175.789 174.700 -0.035 0.000 1.052 572 T CA -0.391 61.674 62.100 -0.058 0.000 1.024 572 T CB 1.637 70.468 68.868 -0.061 0.000 1.349 572 T HN -0.051 nan 8.240 nan 0.000 0.525 573 K N -0.080 120.306 120.400 -0.024 0.000 2.166 573 K HA 0.453 4.773 4.320 -0.000 0.000 0.201 573 K C 1.252 177.847 176.600 -0.008 0.000 1.052 573 K CA 1.350 57.632 56.287 -0.008 0.000 0.969 573 K CB -0.831 31.672 32.500 0.004 0.000 0.761 573 K HN 1.084 nan 8.250 nan 0.000 0.459 574 T N -2.954 111.593 114.554 -0.011 0.000 2.906 574 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 574 T C -0.739 173.950 174.700 -0.018 0.000 1.075 574 T CA -0.703 61.392 62.100 -0.009 0.000 1.005 574 T CB 1.447 70.315 68.868 -0.000 0.000 1.136 574 T HN 0.193 nan 8.240 nan 0.000 0.498 575 c N 4.481 123.073 118.600 -0.014 0.000 2.200 575 c HA 0.610 5.180 4.570 -0.000 0.000 0.328 575 c C -1.685 172.399 174.090 -0.010 0.000 1.148 575 c CA -1.256 55.060 56.329 -0.021 0.000 1.624 575 c CB -1.012 41.486 42.510 -0.020 0.000 2.167 575 c HN 0.766 nan 8.230 nan 0.000 0.484 576 P HA 0.196 nan 4.420 nan 0.000 0.284 576 P C -1.219 176.096 177.300 0.025 0.000 1.292 576 P CA -0.469 62.637 63.100 0.011 0.000 0.800 576 P CB 0.645 32.340 31.700 -0.009 0.000 1.188 577 Y N 0.430 120.700 120.300 -0.051 0.000 2.359 577 Y HA 0.393 4.943 4.550 -0.000 0.000 0.330 577 Y C -0.443 175.417 175.900 -0.067 0.000 1.143 577 Y CA 0.020 58.085 58.100 -0.057 0.000 1.318 577 Y CB 0.456 38.882 38.460 -0.057 0.000 1.234 577 Y HN 0.218 nan 8.280 nan 0.000 0.522 578 V N 6.502 125.924 119.914 -0.819 0.000 2.752 578 V HA 0.804 4.924 4.120 -0.000 0.000 0.302 578 V C -1.550 174.108 176.094 -0.727 0.000 1.133 578 V CA 0.478 62.422 62.300 -0.594 0.000 0.919 578 V CB 1.418 33.061 31.823 -0.301 0.000 1.026 578 V HN 1.196 nan 8.190 nan 0.000 0.429 579 S N 5.076 120.432 115.700 -0.572 0.000 2.627 579 S HA 0.535 5.005 4.470 -0.000 0.000 0.268 579 S C -0.640 173.834 174.600 -0.211 0.000 1.130 579 S CA -0.476 57.449 58.200 -0.458 0.000 0.819 579 S CB 1.051 63.866 63.200 -0.643 0.000 1.100 579 S HN 0.752 nan 8.310 nan 0.000 0.465 580 F N 2.511 122.519 119.950 0.096 0.000 2.731 580 F HA 0.321 4.848 4.527 -0.000 0.000 0.304 580 F C 1.215 177.117 175.800 0.171 0.000 1.133 580 F CA 0.267 58.400 58.000 0.220 0.000 1.380 580 F CB -0.308 38.854 39.000 0.270 0.000 1.079 580 F HN 0.739 nan 8.300 nan 0.000 0.550 581 H N -2.753 116.437 119.070 0.199 0.000 2.996 581 H HA 0.413 4.969 4.556 -0.000 0.000 0.368 581 H C -0.684 174.759 175.328 0.190 0.000 1.185 581 H CA -1.281 54.840 56.048 0.122 0.000 1.160 581 H CB 0.925 30.716 29.762 0.049 0.000 1.820 581 H HN -0.186 nan 8.280 nan 0.000 0.547 582 V N 2.380 122.381 119.914 0.146 0.000 2.999 582 V HA 0.196 4.316 4.120 -0.000 0.000 0.307 582 V C -2.058 174.075 176.094 0.065 0.000 1.084 582 V CA -0.763 61.592 62.300 0.092 0.000 1.155 582 V CB 0.418 32.275 31.823 0.057 0.000 0.975 582 V HN 0.772 nan 8.190 nan 0.000 0.490 583 P HA 0.318 nan 4.420 nan 0.000 0.276 583 P C -0.487 176.771 177.300 -0.069 0.000 1.244 583 P CA 0.126 63.117 63.100 -0.181 0.000 0.801 583 P CB 0.533 31.818 31.700 -0.691 0.000 1.006 584 D N 0.000 120.390 120.400 -0.016 0.000 6.856 584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 584 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 584 D CB 0.000 40.774 40.800 -0.043 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683