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 3n8z_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 KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.323 177.300 0.038 0.000 1.155 32 P CA 0.000 63.120 63.100 0.034 0.000 0.800 32 P CB 0.000 31.723 31.700 0.037 0.000 0.726 33 V N -0.839 119.106 119.914 0.052 0.000 2.732 33 V HA 0.546 4.666 4.120 -0.000 0.000 0.297 33 V C 0.347 176.481 176.094 0.067 0.000 1.060 33 V CA -0.582 61.753 62.300 0.059 0.000 1.038 33 V CB 1.200 33.076 31.823 0.089 0.000 1.003 33 V HN 0.614 nan 8.190 nan 0.000 0.481 34 N N 5.422 124.145 118.700 0.038 0.000 2.427 34 N HA 0.205 4.945 4.740 -0.000 0.000 0.269 34 N C -1.205 174.334 175.510 0.047 0.000 1.235 34 N CA -1.854 51.209 53.050 0.022 0.000 0.934 34 N CB 1.124 39.600 38.487 -0.017 0.000 1.121 34 N HN 0.589 nan 8.380 nan 0.000 0.480 35 P HA -0.022 nan 4.420 nan 0.000 0.223 35 P C 0.854 178.082 177.300 -0.121 0.000 1.151 35 P CA 0.616 63.711 63.100 -0.009 0.000 0.787 35 P CB 0.112 31.740 31.700 -0.120 0.000 0.788 36 c N -0.840 117.675 118.600 -0.141 0.000 2.491 36 c HA -0.006 4.564 4.570 -0.000 0.000 0.277 36 c C 2.706 176.601 174.090 -0.325 0.000 1.455 36 c CA 0.261 56.480 56.329 -0.182 0.000 1.758 36 c CB -2.262 40.199 42.510 -0.083 0.000 1.745 36 c HN 0.341 nan 8.230 nan 0.000 0.558 37 c N -0.759 117.634 118.600 -0.346 0.000 2.472 37 c HA -0.036 4.534 4.570 -0.000 0.000 0.278 37 c C 1.926 175.446 174.090 -0.950 0.000 1.447 37 c CA 0.516 56.462 56.329 -0.639 0.000 1.773 37 c CB -1.684 40.543 42.510 -0.473 0.000 1.793 37 c HN 0.696 nan 8.230 nan 0.000 0.544 38 Y N -1.792 118.164 120.300 -0.573 0.000 2.482 38 Y HA 0.171 4.720 4.550 -0.000 0.000 0.270 38 Y C 0.582 176.303 175.900 -0.298 0.000 1.152 38 Y CA -0.241 57.624 58.100 -0.391 0.000 1.292 38 Y CB -0.655 37.656 38.460 -0.249 0.000 1.070 38 Y HN 0.255 nan 8.280 nan 0.000 0.528 39 Y N -0.806 119.489 120.300 -0.008 0.000 3.001 39 Y HA -0.216 4.334 4.550 -0.000 0.000 0.199 39 Y C -1.727 174.144 175.900 -0.049 0.000 1.320 39 Y CA -0.650 57.421 58.100 -0.049 0.000 0.974 39 Y CB -1.848 36.576 38.460 -0.061 0.000 1.291 39 Y HN 0.206 nan 8.280 nan 0.000 0.465 40 P HA -0.021 nan 4.420 nan 0.000 0.222 40 P C 0.308 177.641 177.300 0.054 0.000 1.153 40 P CA 0.792 63.892 63.100 0.001 0.000 0.798 40 P CB 0.246 31.866 31.700 -0.134 0.000 0.796 41 c N 2.786 121.431 118.600 0.074 0.000 2.624 41 c HA 0.280 4.850 4.570 -0.000 0.000 0.397 41 c C 0.771 174.855 174.090 -0.010 0.000 1.331 41 c CA -0.474 55.900 56.329 0.075 0.000 1.716 41 c CB -1.072 41.504 42.510 0.110 0.000 2.452 41 c HN 0.269 nan 8.230 nan 0.000 0.586 42 Q N 0.658 120.417 119.800 -0.068 0.000 2.205 42 Q HA 0.259 4.599 4.340 -0.000 0.000 0.249 42 Q C 0.225 176.096 176.000 -0.215 0.000 0.948 42 Q CA -0.403 55.241 55.803 -0.265 0.000 0.895 42 Q CB 0.540 29.024 28.738 -0.423 0.000 1.249 42 Q HN 0.933 nan 8.270 nan 0.000 0.458 43 H N 1.045 120.023 119.070 -0.153 0.000 2.672 43 H HA -0.218 4.338 4.556 -0.000 0.000 0.325 43 H C -0.224 175.086 175.328 -0.031 0.000 1.158 43 H CA 0.794 56.770 56.048 -0.119 0.000 1.134 43 H CB -1.596 28.031 29.762 -0.224 0.000 1.553 43 H HN 0.674 nan 8.280 nan 0.000 0.419 44 Q N -3.184 116.624 119.800 0.014 0.000 2.424 44 Q HA -0.157 4.183 4.340 -0.000 0.000 0.234 44 Q C 0.999 177.032 176.000 0.055 0.000 0.748 44 Q CA 0.838 56.650 55.803 0.015 0.000 1.286 44 Q CB -1.394 27.349 28.738 0.008 0.000 1.494 44 Q HN 0.800 nan 8.270 nan 0.000 0.683 45 G N 0.659 109.498 108.800 0.065 0.000 2.483 45 G HA2 0.495 4.455 3.960 -0.000 0.000 0.248 45 G HA3 0.495 4.455 3.960 -0.000 0.000 0.248 45 G C -0.056 174.904 174.900 0.099 0.000 1.248 45 G CA -0.478 44.676 45.100 0.090 0.000 0.838 45 G HN 0.200 nan 8.290 nan 0.000 0.566 46 I N 0.855 121.499 120.570 0.123 0.000 2.315 46 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 46 I C 0.306 176.514 176.117 0.151 0.000 1.006 46 I CA -0.508 60.877 61.300 0.141 0.000 1.265 46 I CB 1.523 39.622 38.000 0.165 0.000 1.387 46 I HN 0.334 nan 8.210 nan 0.000 0.475 47 c N 8.246 126.926 118.600 0.133 0.000 2.442 47 c HA 0.454 5.023 4.570 -0.000 0.000 0.362 47 c C 0.239 174.413 174.090 0.139 0.000 1.242 47 c CA -0.221 56.204 56.329 0.160 0.000 1.741 47 c CB -0.935 41.632 42.510 0.095 0.000 2.378 47 c HN 0.537 nan 8.230 nan 0.000 0.549 48 V N 7.417 127.453 119.914 0.203 0.000 2.495 48 V HA 0.468 4.588 4.120 -0.000 0.000 0.298 48 V C 0.116 176.278 176.094 0.113 0.000 1.031 48 V CA -0.684 61.672 62.300 0.092 0.000 0.871 48 V CB 1.624 33.490 31.823 0.071 0.000 0.988 48 V HN 0.788 nan 8.190 nan 0.000 0.432 49 R N 3.219 123.685 120.500 -0.057 0.000 2.234 49 R HA 0.506 4.845 4.340 -0.000 0.000 0.324 49 R C -1.482 174.705 176.300 -0.188 0.000 1.054 49 R CA -0.044 56.054 56.100 -0.003 0.000 0.912 49 R CB 0.349 30.637 30.300 -0.021 0.000 1.030 49 R HN 0.561 nan 8.270 nan 0.000 0.455 50 F N 3.905 123.884 119.950 0.048 0.000 2.482 50 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 50 F C 1.166 176.975 175.800 0.015 0.000 1.115 50 F CA 0.505 58.514 58.000 0.016 0.000 0.955 50 F CB 2.117 41.115 39.000 -0.005 0.000 1.136 50 F HN 0.858 nan 8.300 nan 0.000 0.452 51 G N 2.744 111.639 108.800 0.159 0.000 2.562 51 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.250 51 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.250 51 G C 0.580 175.518 174.900 0.064 0.000 1.269 51 G CA 0.092 45.251 45.100 0.099 0.000 0.919 51 G HN 0.636 nan 8.290 nan 0.000 0.574 52 L N 0.632 121.888 121.223 0.055 0.000 2.127 52 L HA 0.200 4.539 4.340 -0.000 0.000 0.203 52 L C 2.257 179.158 176.870 0.052 0.000 1.080 52 L CA 1.999 56.865 54.840 0.042 0.000 0.768 52 L CB -0.255 41.824 42.059 0.033 0.000 0.924 52 L HN 0.768 nan 8.230 nan 0.000 0.444 53 D N -2.087 118.352 120.400 0.064 0.000 2.520 53 D HA 0.074 4.714 4.640 -0.000 0.000 0.223 53 D C 0.672 177.036 176.300 0.107 0.000 1.186 53 D CA -0.239 53.804 54.000 0.071 0.000 0.821 53 D CB 0.325 41.156 40.800 0.051 0.000 1.072 53 D HN 0.055 nan 8.370 nan 0.000 0.518 54 R N 0.062 120.638 120.500 0.126 0.000 2.606 54 R HA 0.686 5.026 4.340 -0.000 0.000 0.249 54 R C -0.630 175.838 176.300 0.279 0.000 1.127 54 R CA -0.711 55.484 56.100 0.159 0.000 1.133 54 R CB 0.526 30.869 30.300 0.072 0.000 1.243 54 R HN 0.201 nan 8.270 nan 0.000 0.558 55 Y N -2.937 117.432 120.300 0.116 0.000 2.670 55 Y HA 0.565 5.115 4.550 -0.000 0.000 0.334 55 Y C -1.572 174.432 175.900 0.174 0.000 1.185 55 Y CA -1.142 57.063 58.100 0.176 0.000 1.053 55 Y CB 1.664 40.183 38.460 0.098 0.000 1.298 55 Y HN 0.402 nan 8.280 nan 0.000 0.459 56 Q N 0.955 120.876 119.800 0.202 0.000 2.416 56 Q HA 0.622 4.962 4.340 -0.000 0.000 0.281 56 Q C -1.822 174.306 176.000 0.213 0.000 1.067 56 Q CA -0.969 54.829 55.803 -0.008 0.000 0.809 56 Q CB 3.093 31.784 28.738 -0.079 0.000 1.418 56 Q HN 0.898 nan 8.270 nan 0.000 0.411 57 c N 1.084 119.755 118.600 0.118 0.000 2.329 57 c HA 0.347 4.916 4.570 -0.000 0.000 0.329 57 c C -0.179 173.978 174.090 0.111 0.000 1.275 57 c CA -0.465 55.962 56.329 0.162 0.000 1.726 57 c CB 0.635 43.243 42.510 0.162 0.000 2.291 57 c HN 0.690 nan 8.230 nan 0.000 0.514 58 D N 1.498 121.974 120.400 0.126 0.000 2.499 58 D HA 0.269 4.909 4.640 -0.000 0.000 0.225 58 D C 0.352 176.707 176.300 0.092 0.000 1.124 58 D CA -0.296 53.765 54.000 0.102 0.000 0.938 58 D CB 0.249 41.118 40.800 0.116 0.000 1.014 58 D HN 0.636 nan 8.370 nan 0.000 0.517 59 c N 2.535 121.185 118.600 0.083 0.000 2.509 59 c HA 0.125 4.695 4.570 -0.000 0.000 0.301 59 c C 0.815 174.954 174.090 0.082 0.000 1.317 59 c CA -0.364 56.024 56.329 0.099 0.000 1.667 59 c CB -1.943 40.635 42.510 0.113 0.000 1.717 59 c HN 0.461 nan 8.230 nan 0.000 0.595 60 T N 1.820 116.410 114.554 0.060 0.000 2.829 60 T HA 0.119 4.469 4.350 -0.000 0.000 0.293 60 T C 0.890 175.611 174.700 0.036 0.000 0.970 60 T CA 0.290 62.413 62.100 0.038 0.000 1.168 60 T CB 0.010 68.895 68.868 0.029 0.000 0.911 60 T HN 0.611 nan 8.240 nan 0.000 0.535 61 R N 0.321 120.833 120.500 0.021 0.000 3.758 61 R HA -0.205 4.135 4.340 -0.000 0.000 0.299 61 R C 1.435 177.760 176.300 0.042 0.000 1.182 61 R CA 1.076 57.185 56.100 0.014 0.000 0.809 61 R CB -2.506 27.795 30.300 0.002 0.000 1.249 61 R HN 0.906 nan 8.270 nan 0.000 0.497 62 T N -4.464 110.139 114.554 0.082 0.000 3.067 62 T HA 0.256 4.606 4.350 -0.000 0.000 0.257 62 T C 1.504 176.315 174.700 0.184 0.000 1.105 62 T CA 0.788 62.981 62.100 0.155 0.000 1.104 62 T CB 0.879 69.878 68.868 0.219 0.000 0.925 62 T HN 0.679 nan 8.240 nan 0.000 0.498 63 G N 0.250 109.079 108.800 0.050 0.000 2.175 63 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.244 63 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.244 63 G C -0.191 174.485 174.900 -0.374 0.000 0.982 63 G CA 0.125 45.134 45.100 -0.153 0.000 0.641 63 G HN 0.629 nan 8.290 nan 0.000 0.527 64 Y N 0.447 120.756 120.300 0.016 0.000 2.576 64 Y HA 0.697 5.247 4.550 0.000 0.000 0.346 64 Y C 0.569 176.490 175.900 0.035 0.000 1.018 64 Y CA -0.255 57.864 58.100 0.032 0.000 1.050 64 Y CB 2.236 40.737 38.460 0.068 0.000 1.280 64 Y HN 0.498 nan 8.280 nan 0.000 0.474 65 S N 0.168 115.985 115.700 0.195 0.000 2.810 65 S HA 0.962 5.431 4.470 -0.000 0.000 0.315 65 S C -0.132 174.535 174.600 0.113 0.000 1.138 65 S CA -0.354 57.913 58.200 0.112 0.000 0.889 65 S CB 1.657 64.887 63.200 0.050 0.000 1.236 65 S HN 1.795 nan 8.310 nan 0.000 0.548 66 G N 0.742 109.580 108.800 0.063 0.000 2.690 66 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 66 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 66 G C -1.946 172.977 174.900 0.039 0.000 1.277 66 G CA -0.318 44.810 45.100 0.047 0.000 0.799 66 G HN 0.632 nan 8.290 nan 0.000 0.613 67 P HA -0.113 nan 4.420 nan 0.000 0.217 67 P C 0.972 178.298 177.300 0.044 0.000 1.148 67 P CA 1.591 64.683 63.100 -0.013 0.000 0.834 67 P CB 0.069 31.747 31.700 -0.037 0.000 0.783 68 N N -2.201 116.544 118.700 0.076 0.000 2.177 68 N HA 0.076 4.816 4.740 -0.000 0.000 0.218 68 N C -0.191 175.366 175.510 0.078 0.000 1.182 68 N CA 0.007 53.118 53.050 0.103 0.000 0.882 68 N CB -0.253 38.290 38.487 0.093 0.000 1.052 68 N HN 0.048 nan 8.380 nan 0.000 0.519 69 c N 0.663 119.321 118.600 0.097 0.000 4.300 69 c HA -0.115 4.455 4.570 -0.000 0.000 0.304 69 c C 1.588 175.744 174.090 0.109 0.000 1.367 69 c CA 0.857 57.271 56.329 0.142 0.000 2.032 69 c CB -3.234 39.364 42.510 0.147 0.000 1.285 69 c HN 0.577 nan 8.230 nan 0.000 0.737 70 T N -4.258 110.367 114.554 0.118 0.000 3.044 70 T HA 0.408 4.757 4.350 -0.000 0.000 0.260 70 T C 0.230 175.072 174.700 0.237 0.000 1.019 70 T CA -0.053 62.109 62.100 0.103 0.000 0.921 70 T CB 0.321 69.229 68.868 0.066 0.000 1.053 70 T HN 0.532 nan 8.240 nan 0.000 0.533 71 I N 4.168 124.911 120.570 0.288 0.000 2.312 71 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 71 I C -2.670 173.631 176.117 0.307 0.000 1.008 71 I CA -3.441 58.009 61.300 0.250 0.000 1.226 71 I CB 0.771 38.847 38.000 0.128 0.000 1.371 71 I HN -0.013 nan 8.210 nan 0.000 0.468 72 P HA 0.278 nan 4.420 nan 0.000 0.279 72 P C -0.210 177.051 177.300 -0.065 0.000 1.239 72 P CA -0.349 62.729 63.100 -0.036 0.000 0.789 72 P CB 1.238 33.015 31.700 0.129 0.000 0.933 73 E N 0.972 121.072 120.200 -0.166 0.000 2.392 73 E HA 0.040 4.390 4.350 -0.000 0.000 0.256 73 E C 1.259 177.878 176.600 0.031 0.000 1.145 73 E CA -0.516 55.840 56.400 -0.073 0.000 0.929 73 E CB 0.473 30.111 29.700 -0.103 0.000 0.998 73 E HN 0.341 nan 8.360 nan 0.000 0.442 74 I N 0.967 121.576 120.570 0.065 0.000 2.151 74 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 74 I C 1.348 177.670 176.117 0.341 0.000 1.080 74 I CA 1.712 63.115 61.300 0.171 0.000 1.339 74 I CB -0.039 38.053 38.000 0.154 0.000 1.039 74 I HN 0.618 nan 8.210 nan 0.000 0.409 75 W N 0.817 122.124 121.300 0.012 0.000 2.388 75 W HA -0.085 4.575 4.660 -0.000 0.000 0.294 75 W C 2.801 179.312 176.519 -0.013 0.000 1.212 75 W CA 1.880 59.228 57.345 0.006 0.000 1.271 75 W CB -1.467 27.980 29.460 -0.022 0.000 1.126 75 W HN 0.125 nan 8.180 nan 0.000 0.535 76 T N -1.774 112.869 114.554 0.149 0.000 2.812 76 T HA -0.236 4.114 4.350 -0.000 0.000 0.264 76 T C 1.365 176.076 174.700 0.018 0.000 1.042 76 T CA 1.256 63.336 62.100 -0.034 0.000 1.140 76 T CB -0.941 67.708 68.868 -0.365 0.000 0.870 76 T HN 0.249 nan 8.240 nan 0.000 0.445 77 W N 1.504 122.752 121.300 -0.087 0.000 2.374 77 W HA 0.051 4.710 4.660 -0.001 0.000 0.288 77 W C 1.721 178.224 176.519 -0.027 0.000 1.218 77 W CA 0.404 57.726 57.345 -0.039 0.000 1.245 77 W CB -0.265 29.183 29.460 -0.020 0.000 1.126 77 W HN 0.066 nan 8.180 nan 0.000 0.545 78 L N 1.489 122.820 121.223 0.180 0.000 2.376 78 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 78 L C 2.455 179.244 176.870 -0.136 0.000 1.133 78 L CA 2.029 56.870 54.840 0.003 0.000 0.816 78 L CB -1.092 41.011 42.059 0.073 0.000 0.933 78 L HN 0.262 nan 8.230 nan 0.000 0.449 79 R N -0.827 119.607 120.500 -0.109 0.000 2.195 79 R HA 0.004 4.343 4.340 -0.000 0.000 0.197 79 R C 2.065 178.288 176.300 -0.128 0.000 0.990 79 R CA 1.040 57.076 56.100 -0.107 0.000 1.048 79 R CB -1.452 28.816 30.300 -0.054 0.000 0.997 79 R HN 0.585 nan 8.270 nan 0.000 0.502 80 T N -1.189 113.271 114.554 -0.156 0.000 2.770 80 T HA -0.175 4.175 4.350 -0.000 0.000 0.263 80 T C 2.122 176.699 174.700 -0.204 0.000 1.039 80 T CA 1.895 63.910 62.100 -0.141 0.000 1.142 80 T CB -0.733 68.078 68.868 -0.095 0.000 0.868 80 T HN 0.507 nan 8.240 nan 0.000 0.435 81 T N -0.788 113.552 114.554 -0.357 0.000 3.160 81 T HA 0.276 4.626 4.350 -0.000 0.000 0.257 81 T C 1.243 175.781 174.700 -0.271 0.000 1.147 81 T CA 0.112 61.998 62.100 -0.356 0.000 1.064 81 T CB -0.305 68.226 68.868 -0.562 0.000 0.949 81 T HN 0.238 nan 8.240 nan 0.000 0.526 82 L N -0.284 120.804 121.223 -0.226 0.000 2.966 82 L HA 0.439 4.779 4.340 -0.000 0.000 0.262 82 L C 0.925 177.726 176.870 -0.114 0.000 1.165 82 L CA -0.116 54.625 54.840 -0.165 0.000 0.978 82 L CB 0.414 42.380 42.059 -0.155 0.000 1.337 82 L HN 0.055 nan 8.230 nan 0.000 0.563 83 R N 2.571 123.010 120.500 -0.102 0.000 2.216 83 R HA 0.305 4.644 4.340 -0.000 0.000 0.332 83 R C -2.350 173.920 176.300 -0.051 0.000 1.056 83 R CA -1.482 54.587 56.100 -0.052 0.000 0.901 83 R CB 0.643 30.924 30.300 -0.031 0.000 1.039 83 R HN -0.046 nan 8.270 nan 0.000 0.456 84 P HA 0.058 nan 4.420 nan 0.000 0.275 84 P C -0.546 176.786 177.300 0.053 0.000 1.228 84 P CA -0.314 62.763 63.100 -0.040 0.000 0.786 84 P CB 0.750 32.468 31.700 0.031 0.000 0.927 85 S N 2.488 118.210 115.700 0.037 0.000 2.558 85 S HA 0.032 4.502 4.470 -0.000 0.000 0.291 85 S C -1.566 173.134 174.600 0.167 0.000 1.306 85 S CA -0.636 57.614 58.200 0.083 0.000 1.056 85 S CB -0.481 62.756 63.200 0.061 0.000 0.836 85 S HN 0.297 nan 8.310 nan 0.000 0.504 86 P HA -0.089 nan 4.420 nan 0.000 0.217 86 P C 1.428 178.873 177.300 0.242 0.000 1.148 86 P CA 1.270 64.475 63.100 0.176 0.000 0.834 86 P CB -0.064 31.722 31.700 0.143 0.000 0.783 87 S N -1.845 114.001 115.700 0.244 0.000 2.387 87 S HA -0.106 4.364 4.470 -0.000 0.000 0.226 87 S C 1.564 176.350 174.600 0.310 0.000 1.026 87 S CA 0.701 59.079 58.200 0.297 0.000 0.972 87 S CB -1.010 62.320 63.200 0.217 0.000 0.814 87 S HN 0.144 nan 8.310 nan 0.000 0.477 88 F N 1.949 121.974 119.950 0.125 0.000 2.134 88 F HA -0.050 4.476 4.527 -0.001 0.000 0.299 88 F C 1.809 177.711 175.800 0.170 0.000 1.097 88 F CA 1.266 59.332 58.000 0.110 0.000 1.264 88 F CB -0.176 38.843 39.000 0.032 0.000 1.001 88 F HN 0.118 nan 8.300 nan 0.000 0.479 89 I N -0.614 120.081 120.570 0.208 0.000 2.315 89 I HA -0.302 3.867 4.170 -0.000 0.000 0.248 89 I C 2.322 178.422 176.117 -0.028 0.000 1.117 89 I CA 1.590 62.934 61.300 0.073 0.000 1.404 89 I CB -0.633 37.438 38.000 0.119 0.000 1.071 89 I HN 0.212 nan 8.210 nan 0.000 0.419 90 H N 0.459 119.504 119.070 -0.041 0.000 2.353 90 H HA -0.273 4.283 4.556 -0.000 0.000 0.300 90 H C 2.063 177.319 175.328 -0.121 0.000 1.090 90 H CA 1.987 57.952 56.048 -0.139 0.000 1.327 90 H CB -0.150 29.475 29.762 -0.229 0.000 1.383 90 H HN 0.282 nan 8.280 nan 0.000 0.508 91 F N 0.545 120.481 119.950 -0.024 0.000 2.126 91 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 91 F C 1.931 177.632 175.800 -0.165 0.000 1.096 91 F CA 1.372 59.337 58.000 -0.058 0.000 1.255 91 F CB -0.290 38.598 39.000 -0.187 0.000 0.997 91 F HN 0.156 nan 8.300 nan 0.000 0.479 92 L N -0.348 120.762 121.223 -0.188 0.000 2.083 92 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 92 L C 2.254 179.102 176.870 -0.038 0.000 1.083 92 L CA 1.090 55.835 54.840 -0.158 0.000 0.752 92 L CB -0.657 41.325 42.059 -0.129 0.000 0.899 92 L HN 0.192 nan 8.230 nan 0.000 0.433 93 L N -0.762 120.268 121.223 -0.322 0.000 2.478 93 L HA -0.055 4.284 4.340 -0.000 0.000 0.223 93 L C 1.839 178.196 176.870 -0.855 0.000 1.140 93 L CA 1.039 55.453 54.840 -0.711 0.000 0.842 93 L CB -0.370 40.977 42.059 -1.187 0.000 0.953 93 L HN 0.380 nan 8.230 nan 0.000 0.452 94 T N -5.177 108.898 114.554 -0.800 0.000 3.084 94 T HA 0.240 4.590 4.350 -0.000 0.000 0.270 94 T C 0.390 174.101 174.700 -1.648 0.000 1.008 94 T CA -0.315 61.171 62.100 -1.023 0.000 0.900 94 T CB -0.006 68.511 68.868 -0.586 0.000 1.084 94 T HN 0.090 nan 8.240 nan 0.000 0.538 95 H N 0.139 118.464 119.070 -1.242 0.000 2.961 95 H HA 0.513 5.069 4.556 -0.000 0.000 0.371 95 H C 0.435 175.444 175.328 -0.533 0.000 1.190 95 H CA -0.352 55.129 56.048 -0.945 0.000 1.138 95 H CB 1.835 30.983 29.762 -1.022 0.000 1.816 95 H HN 0.362 nan 8.280 nan 0.000 0.551 96 G N 2.619 111.294 108.800 -0.207 0.000 2.531 96 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.283 96 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.283 96 G C 1.087 176.080 174.900 0.154 0.000 1.068 96 G CA -0.086 44.979 45.100 -0.059 0.000 1.273 96 G HN 0.530 nan 8.290 nan 0.000 0.532 97 R N -0.531 120.073 120.500 0.174 0.000 2.139 97 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 97 R C 2.205 178.705 176.300 0.334 0.000 1.145 97 R CA 2.007 58.315 56.100 0.345 0.000 0.976 97 R CB -0.210 30.174 30.300 0.139 0.000 0.866 97 R HN 0.721 nan 8.270 nan 0.000 0.449 98 W N 1.122 122.507 121.300 0.142 0.000 2.355 98 W HA -0.150 4.510 4.660 -0.000 0.000 0.309 98 W C 2.197 178.752 176.519 0.060 0.000 1.206 98 W CA 0.920 58.314 57.345 0.081 0.000 1.284 98 W CB -1.019 28.457 29.460 0.028 0.000 1.145 98 W HN 0.128 nan 8.180 nan 0.000 0.502 99 L N -3.506 117.835 121.223 0.197 0.000 2.156 99 L HA 0.033 4.372 4.340 -0.000 0.000 0.208 99 L C 2.078 178.925 176.870 -0.037 0.000 1.095 99 L CA 1.404 56.228 54.840 -0.027 0.000 0.770 99 L CB -1.396 40.508 42.059 -0.258 0.000 0.914 99 L HN -0.181 nan 8.230 nan 0.000 0.439 100 W N 0.805 122.192 121.300 0.146 0.000 2.436 100 W HA -0.071 4.589 4.660 0.001 0.000 0.284 100 W C 2.255 178.852 176.519 0.129 0.000 1.225 100 W CA 0.458 57.880 57.345 0.128 0.000 1.271 100 W CB -0.109 29.451 29.460 0.166 0.000 1.114 100 W HN 0.169 nan 8.180 nan 0.000 0.559 101 D N -0.235 120.381 120.400 0.360 0.000 2.117 101 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 101 D C 1.796 178.212 176.300 0.193 0.000 0.987 101 D CA 1.205 55.353 54.000 0.246 0.000 0.829 101 D CB -0.493 40.452 40.800 0.243 0.000 0.961 101 D HN 0.095 nan 8.370 nan 0.000 0.460 102 F N 0.959 120.946 119.950 0.061 0.000 2.084 102 F HA -0.206 4.321 4.527 -0.000 0.000 0.296 102 F C 2.319 178.095 175.800 -0.041 0.000 1.111 102 F CA 1.027 59.023 58.000 -0.008 0.000 1.224 102 F CB -0.312 38.660 39.000 -0.047 0.000 0.991 102 F HN -0.225 nan 8.300 nan 0.000 0.471 103 V N 1.041 121.044 119.914 0.147 0.000 2.255 103 V HA -0.374 3.745 4.120 -0.000 0.000 0.247 103 V C 2.113 178.203 176.094 -0.006 0.000 1.051 103 V CA 2.293 64.606 62.300 0.022 0.000 1.018 103 V CB -0.840 31.010 31.823 0.044 0.000 0.641 103 V HN 0.395 nan 8.190 nan 0.000 0.445 104 N N 0.445 119.205 118.700 0.099 0.000 2.289 104 N HA -0.089 4.650 4.740 -0.000 0.000 0.184 104 N C 1.440 176.938 175.510 -0.019 0.000 1.016 104 N CA 1.485 54.575 53.050 0.066 0.000 0.872 104 N CB -0.284 38.267 38.487 0.107 0.000 0.973 104 N HN 0.534 nan 8.380 nan 0.000 0.433 105 A N 0.091 122.859 122.820 -0.087 0.000 2.379 105 A HA 0.182 4.502 4.320 -0.000 0.000 0.236 105 A C 0.906 178.360 177.584 -0.216 0.000 1.272 105 A CA 0.054 52.011 52.037 -0.134 0.000 0.886 105 A CB -0.154 18.763 19.000 -0.140 0.000 0.962 105 A HN 0.344 nan 8.150 nan 0.000 0.504 106 T N -4.680 109.729 114.554 -0.242 0.000 2.645 106 T HA 0.477 4.827 4.350 -0.000 0.000 0.273 106 T C 0.788 175.405 174.700 -0.139 0.000 0.960 106 T CA 0.041 61.984 62.100 -0.261 0.000 1.051 106 T CB 0.144 68.685 68.868 -0.545 0.000 1.366 106 T HN 0.475 nan 8.240 nan 0.000 0.536 107 F N -0.053 119.865 119.950 -0.052 0.000 2.407 107 F HA 0.269 4.796 4.527 -0.001 0.000 0.299 107 F C 1.793 177.596 175.800 0.006 0.000 1.097 107 F CA 0.293 58.283 58.000 -0.017 0.000 1.422 107 F CB -1.138 37.857 39.000 -0.009 0.000 1.067 107 F HN 0.343 nan 8.300 nan 0.000 0.539 108 I N 0.621 120.804 120.570 -0.645 0.000 2.493 108 I HA -0.188 3.982 4.170 -0.000 0.000 0.254 108 I C 2.763 178.827 176.117 -0.088 0.000 1.160 108 I CA 1.051 62.123 61.300 -0.380 0.000 1.445 108 I CB -0.665 37.060 38.000 -0.459 0.000 1.086 108 I HN 0.185 nan 8.210 nan 0.000 0.433 109 R N 1.394 121.861 120.500 -0.056 0.000 2.083 109 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 109 R C 1.716 178.040 176.300 0.041 0.000 1.137 109 R CA 2.255 58.374 56.100 0.031 0.000 0.951 109 R CB -0.154 30.161 30.300 0.024 0.000 0.851 109 R HN 0.281 nan 8.270 nan 0.000 0.434 110 D N -0.609 119.814 120.400 0.038 0.000 2.117 110 D HA -0.090 4.549 4.640 -0.000 0.000 0.198 110 D C 1.815 178.145 176.300 0.051 0.000 0.982 110 D CA 1.758 55.781 54.000 0.039 0.000 0.828 110 D CB -0.438 40.391 40.800 0.048 0.000 0.967 110 D HN 0.261 nan 8.370 nan 0.000 0.464 111 T N 0.991 115.594 114.554 0.082 0.000 2.684 111 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 111 T C 2.180 176.921 174.700 0.068 0.000 1.036 111 T CA 0.835 62.989 62.100 0.090 0.000 1.148 111 T CB -0.391 68.554 68.868 0.129 0.000 0.863 111 T HN 0.126 nan 8.240 nan 0.000 0.436 112 L N -0.308 120.958 121.223 0.071 0.000 2.109 112 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 112 L C 2.631 179.544 176.870 0.072 0.000 1.086 112 L CA 0.826 55.716 54.840 0.083 0.000 0.760 112 L CB -0.483 41.653 42.059 0.128 0.000 0.910 112 L HN 0.222 nan 8.230 nan 0.000 0.437 113 M N -0.011 119.626 119.600 0.061 0.000 2.159 113 M HA -0.192 4.287 4.480 -0.000 0.000 0.263 113 M C 2.360 178.674 176.300 0.025 0.000 1.063 113 M CA 1.680 57.008 55.300 0.047 0.000 1.110 113 M CB -0.308 32.310 32.600 0.031 0.000 1.374 113 M HN 0.001 nan 8.290 nan 0.000 0.411 114 R N -0.637 119.871 120.500 0.013 0.000 2.092 114 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 114 R C 2.001 178.316 176.300 0.025 0.000 1.119 114 R CA 1.388 57.486 56.100 -0.003 0.000 0.970 114 R CB -0.399 29.899 30.300 -0.003 0.000 0.864 114 R HN 0.418 nan 8.270 nan 0.000 0.440 115 L N 0.201 121.451 121.223 0.045 0.000 2.056 115 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 115 L C 2.061 178.969 176.870 0.064 0.000 1.078 115 L CA 1.325 56.198 54.840 0.055 0.000 0.749 115 L CB -0.211 41.883 42.059 0.059 0.000 0.901 115 L HN -0.002 nan 8.230 nan 0.000 0.433 116 V N -0.798 119.158 119.914 0.070 0.000 2.295 116 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 116 V C 2.462 178.610 176.094 0.089 0.000 1.049 116 V CA 1.506 63.858 62.300 0.087 0.000 1.024 116 V CB -0.522 31.362 31.823 0.101 0.000 0.648 116 V HN 0.310 nan 8.190 nan 0.000 0.447 117 L N 0.606 121.870 121.223 0.069 0.000 1.989 117 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 117 L C 2.862 179.798 176.870 0.111 0.000 1.071 117 L CA 2.832 57.711 54.840 0.066 0.000 0.749 117 L CB -1.497 40.551 42.059 -0.018 0.000 0.890 117 L HN 0.658 nan 8.230 nan 0.000 0.431 118 T N -3.843 110.767 114.554 0.094 0.000 2.668 118 T HA -0.146 4.204 4.350 -0.000 0.000 0.262 118 T C 1.895 176.661 174.700 0.110 0.000 1.045 118 T CA 1.525 63.704 62.100 0.131 0.000 1.152 118 T CB -1.083 67.844 68.868 0.099 0.000 0.864 118 T HN 0.063 nan 8.240 nan 0.000 0.419 119 V N 1.741 121.706 119.914 0.086 0.000 2.392 119 V HA -0.128 3.991 4.120 -0.000 0.000 0.249 119 V C 3.047 179.185 176.094 0.072 0.000 1.059 119 V CA 1.918 64.261 62.300 0.073 0.000 1.051 119 V CB -0.867 30.997 31.823 0.069 0.000 0.658 119 V HN 0.297 nan 8.190 nan 0.000 0.455 120 R N 1.208 121.761 120.500 0.088 0.000 2.062 120 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 120 R C 2.674 179.008 176.300 0.056 0.000 1.136 120 R CA 1.736 57.888 56.100 0.086 0.000 0.948 120 R CB -0.792 29.570 30.300 0.103 0.000 0.845 120 R HN 0.712 nan 8.270 nan 0.000 0.430 121 S N 0.073 115.821 115.700 0.081 0.000 2.453 121 S HA -0.107 4.362 4.470 -0.000 0.000 0.231 121 S C 1.703 176.281 174.600 -0.036 0.000 1.005 121 S CA 1.162 59.390 58.200 0.046 0.000 0.949 121 S CB -0.427 62.883 63.200 0.182 0.000 0.774 121 S HN 0.329 nan 8.310 nan 0.000 0.510 122 N N 1.439 120.134 118.700 -0.008 0.000 2.364 122 N HA -0.018 4.722 4.740 -0.000 0.000 0.183 122 N C 1.457 176.920 175.510 -0.079 0.000 1.022 122 N CA 0.774 53.800 53.050 -0.040 0.000 0.883 122 N CB -0.459 38.030 38.487 0.002 0.000 0.965 122 N HN 0.327 nan 8.380 nan 0.000 0.438 123 L N 0.103 121.268 121.223 -0.095 0.000 2.313 123 L HA 0.117 4.456 4.340 -0.000 0.000 0.214 123 L C 0.145 176.870 176.870 -0.242 0.000 1.119 123 L CA 0.498 55.227 54.840 -0.185 0.000 0.809 123 L CB -0.575 41.362 42.059 -0.204 0.000 0.933 123 L HN 0.165 nan 8.230 nan 0.000 0.449 124 I N 2.477 122.937 120.570 -0.183 0.000 2.325 124 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 124 I C -1.891 174.140 176.117 -0.143 0.000 1.019 124 I CA -2.682 58.521 61.300 -0.161 0.000 1.302 124 I CB 0.659 38.585 38.000 -0.123 0.000 1.401 124 I HN -0.104 nan 8.210 nan 0.000 0.485 125 P HA 0.095 nan 4.420 nan 0.000 0.267 125 P C -0.366 176.857 177.300 -0.129 0.000 1.205 125 P CA -0.058 62.960 63.100 -0.137 0.000 0.765 125 P CB 1.090 32.691 31.700 -0.165 0.000 0.828 126 S N 3.539 119.158 115.700 -0.135 0.000 2.706 126 S HA 0.427 4.896 4.470 -0.000 0.000 0.270 126 S C -2.684 171.855 174.600 -0.100 0.000 1.163 126 S CA -1.191 56.931 58.200 -0.130 0.000 1.042 126 S CB 0.563 63.644 63.200 -0.199 0.000 1.079 126 S HN 0.261 nan 8.310 nan 0.000 0.474 127 P HA 0.289 nan 4.420 nan 0.000 0.269 127 P C -2.702 174.572 177.300 -0.043 0.000 1.215 127 P CA -1.017 62.089 63.100 0.011 0.000 0.780 127 P CB -0.544 31.235 31.700 0.132 0.000 0.898 128 P HA -0.022 nan 4.420 nan 0.000 0.268 128 P C 0.456 177.669 177.300 -0.144 0.000 1.208 128 P CA 0.100 63.136 63.100 -0.108 0.000 0.777 128 P CB 0.669 32.295 31.700 -0.123 0.000 0.875 129 T N 0.847 115.247 114.554 -0.256 0.000 3.146 129 T HA 0.152 4.502 4.350 -0.000 0.000 0.235 129 T C 0.112 174.575 174.700 -0.395 0.000 0.985 129 T CA 0.523 62.350 62.100 -0.456 0.000 1.265 129 T CB -0.449 67.921 68.868 -0.830 0.000 0.946 129 T HN 0.348 nan 8.240 nan 0.000 0.418 130 Y N 1.901 122.170 120.300 -0.052 0.000 2.602 130 Y HA 0.605 5.155 4.550 -0.000 0.000 0.330 130 Y C 0.377 176.212 175.900 -0.109 0.000 1.114 130 Y CA -1.382 56.664 58.100 -0.090 0.000 1.182 130 Y CB 1.111 39.539 38.460 -0.053 0.000 1.305 130 Y HN 0.474 nan 8.280 nan 0.000 0.502 131 N N -0.815 117.887 118.700 0.004 0.000 3.278 131 N HA 0.213 4.953 4.740 -0.000 0.000 0.307 131 N C -0.169 175.283 175.510 -0.096 0.000 1.551 131 N CA -0.715 52.278 53.050 -0.094 0.000 0.794 131 N CB 0.347 38.631 38.487 -0.338 0.000 1.770 131 N HN 0.579 nan 8.380 nan 0.000 0.612 132 I N -0.350 120.179 120.570 -0.068 0.000 2.286 132 I HA 0.001 4.171 4.170 -0.000 0.000 0.248 132 I C 1.852 177.924 176.117 -0.076 0.000 1.115 132 I CA 1.901 63.173 61.300 -0.046 0.000 1.392 132 I CB -0.796 37.167 38.000 -0.061 0.000 1.065 132 I HN 0.719 nan 8.210 nan 0.000 0.418 133 A N -0.988 121.721 122.820 -0.185 0.000 1.898 133 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 133 A C 0.719 178.027 177.584 -0.461 0.000 1.183 133 A CA 0.846 52.685 52.037 -0.331 0.000 0.622 133 A CB -0.449 18.257 19.000 -0.490 0.000 0.824 133 A HN 0.515 nan 8.150 nan 0.000 0.444 134 H N 0.295 119.208 119.070 -0.262 0.000 2.539 134 H HA 0.312 4.868 4.556 -0.000 0.000 0.332 134 H C -1.257 173.850 175.328 -0.369 0.000 1.031 134 H CA -0.884 54.850 56.048 -0.523 0.000 1.206 134 H CB 1.131 30.337 29.762 -0.928 0.000 1.446 134 H HN 0.238 nan 8.280 nan 0.000 0.496 135 D N 3.887 124.224 120.400 -0.104 0.000 2.889 135 D HA 0.089 4.729 4.640 -0.000 0.000 0.243 135 D C -0.107 176.126 176.300 -0.111 0.000 1.270 135 D CA 0.231 54.130 54.000 -0.168 0.000 0.838 135 D CB 0.015 40.753 40.800 -0.104 0.000 1.040 135 D HN 0.533 nan 8.370 nan 0.000 0.480 136 Y N -3.040 117.315 120.300 0.092 0.000 2.713 136 Y HA 0.446 4.996 4.550 -0.000 0.000 0.335 136 Y C -0.942 175.147 175.900 0.317 0.000 1.222 136 Y CA -1.473 56.757 58.100 0.217 0.000 1.061 136 Y CB 0.450 38.953 38.460 0.072 0.000 1.314 136 Y HN -0.303 nan 8.280 nan 0.000 0.453 137 I N 3.124 123.915 120.570 0.369 0.000 2.496 137 I HA 0.486 4.656 4.170 -0.000 0.000 0.285 137 I C 0.070 176.277 176.117 0.151 0.000 1.080 137 I CA 0.323 61.715 61.300 0.154 0.000 1.404 137 I CB 0.997 39.062 38.000 0.108 0.000 1.403 137 I HN 0.762 nan 8.210 nan 0.000 0.539 138 S N 5.175 120.877 115.700 0.004 0.000 2.638 138 S HA 0.265 4.734 4.470 -0.000 0.000 0.274 138 S C 0.101 174.746 174.600 0.076 0.000 1.157 138 S CA -0.908 57.301 58.200 0.015 0.000 0.826 138 S CB 1.252 64.293 63.200 -0.265 0.000 1.139 138 S HN 0.802 nan 8.310 nan 0.000 0.474 139 W N 0.809 122.099 121.300 -0.016 0.000 2.436 139 W HA -0.003 4.656 4.660 -0.001 0.000 0.284 139 W C 1.513 178.090 176.519 0.097 0.000 1.225 139 W CA 1.881 59.259 57.345 0.055 0.000 1.271 139 W CB -0.036 29.451 29.460 0.045 0.000 1.114 139 W HN 0.997 nan 8.180 nan 0.000 0.559 140 E N 0.116 120.391 120.200 0.124 0.000 2.150 140 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 140 E C 2.265 178.854 176.600 -0.018 0.000 0.985 140 E CA 1.555 58.016 56.400 0.103 0.000 0.814 140 E CB -0.468 29.361 29.700 0.215 0.000 0.752 140 E HN -0.026 nan 8.360 nan 0.000 0.466 141 S N -1.328 114.322 115.700 -0.083 0.000 2.402 141 S HA -0.081 4.388 4.470 -0.000 0.000 0.229 141 S C 1.600 176.110 174.600 -0.149 0.000 1.021 141 S CA 0.865 58.974 58.200 -0.153 0.000 0.974 141 S CB -0.378 62.740 63.200 -0.137 0.000 0.800 141 S HN 0.441 nan 8.310 nan 0.000 0.484 142 F N 2.127 121.870 119.950 -0.345 0.000 2.149 142 F HA 0.039 4.566 4.527 -0.000 0.000 0.294 142 F C 2.529 178.075 175.800 -0.424 0.000 1.095 142 F CA 1.727 59.459 58.000 -0.446 0.000 1.276 142 F CB -0.627 37.960 39.000 -0.688 0.000 1.023 142 F HN 0.341 nan 8.300 nan 0.000 0.480 143 S N -0.365 115.062 115.700 -0.454 0.000 2.371 143 S HA -0.070 4.400 4.470 -0.000 0.000 0.221 143 S C 1.122 175.618 174.600 -0.173 0.000 1.036 143 S CA 0.394 58.379 58.200 -0.359 0.000 0.965 143 S CB -0.920 62.183 63.200 -0.161 0.000 0.845 143 S HN 0.324 nan 8.310 nan 0.000 0.475 144 N N 2.960 121.644 118.700 -0.028 0.000 2.410 144 N HA 0.075 4.814 4.740 -0.000 0.000 0.281 144 N C 1.002 176.589 175.510 0.128 0.000 1.241 144 N CA 0.243 53.370 53.050 0.127 0.000 0.998 144 N CB 0.922 39.620 38.487 0.351 0.000 1.376 144 N HN 0.439 nan 8.380 nan 0.000 0.490 145 V N 0.647 120.584 119.914 0.040 0.000 3.305 145 V HA -0.030 4.090 4.120 -0.000 0.000 0.269 145 V C 1.672 177.906 176.094 0.233 0.000 1.157 145 V CA 0.796 63.139 62.300 0.072 0.000 1.157 145 V CB -0.467 31.388 31.823 0.054 0.000 0.772 145 V HN 0.356 nan 8.190 nan 0.000 0.498 146 S N -1.112 114.667 115.700 0.132 0.000 2.515 146 S HA 0.124 4.593 4.470 -0.000 0.000 0.231 146 S C 0.501 175.100 174.600 -0.003 0.000 0.987 146 S CA 0.383 58.609 58.200 0.043 0.000 0.936 146 S CB -0.448 62.754 63.200 0.003 0.000 0.766 146 S HN 0.690 nan 8.310 nan 0.000 0.528 147 Y N 0.491 120.802 120.300 0.018 0.000 2.304 147 Y HA 0.274 4.824 4.550 -0.000 0.000 0.327 147 Y C 0.254 176.090 175.900 -0.107 0.000 1.209 147 Y CA -0.716 57.295 58.100 -0.149 0.000 1.299 147 Y CB 0.292 38.670 38.460 -0.137 0.000 1.249 147 Y HN 0.059 nan 8.280 nan 0.000 0.519 148 Y N 0.746 121.110 120.300 0.106 0.000 2.304 148 Y HA 0.182 4.732 4.550 -0.000 0.000 0.327 148 Y C 0.860 176.801 175.900 0.069 0.000 1.209 148 Y CA -0.430 57.739 58.100 0.115 0.000 1.299 148 Y CB 0.952 39.445 38.460 0.054 0.000 1.249 148 Y HN 0.514 nan 8.280 nan 0.000 0.519 149 T N 3.193 117.888 114.554 0.236 0.000 2.862 149 T HA 0.723 5.073 4.350 -0.000 0.000 0.276 149 T C -0.818 173.960 174.700 0.130 0.000 0.974 149 T CA -0.808 61.361 62.100 0.113 0.000 0.966 149 T CB 0.419 69.310 68.868 0.038 0.000 1.072 149 T HN 0.738 nan 8.240 nan 0.000 0.538 150 R N 2.214 122.794 120.500 0.133 0.000 2.604 150 R HA 0.480 4.820 4.340 -0.000 0.000 0.281 150 R C 0.450 176.892 176.300 0.237 0.000 1.020 150 R CA -0.920 55.294 56.100 0.189 0.000 0.899 150 R CB 0.767 31.173 30.300 0.176 0.000 1.205 150 R HN 0.340 nan 8.270 nan 0.000 0.450 151 I N 1.619 122.363 120.570 0.289 0.000 2.277 151 I HA 0.022 4.191 4.170 -0.000 0.000 0.243 151 I C 0.949 177.193 176.117 0.212 0.000 1.094 151 I CA 0.833 62.263 61.300 0.217 0.000 1.393 151 I CB -0.706 37.453 38.000 0.266 0.000 1.078 151 I HN 0.550 nan 8.210 nan 0.000 0.417 152 L N 2.393 123.717 121.223 0.168 0.000 2.334 152 L HA 0.342 4.682 4.340 -0.000 0.000 0.275 152 L C -2.163 174.749 176.870 0.069 0.000 1.036 152 L CA -1.743 53.107 54.840 0.017 0.000 0.807 152 L CB 1.342 43.161 42.059 -0.400 0.000 1.231 152 L HN -0.091 nan 8.230 nan 0.000 0.438 153 P HA 0.065 nan 4.420 nan 0.000 0.274 153 P C -0.631 176.632 177.300 -0.061 0.000 1.237 153 P CA -0.455 62.513 63.100 -0.219 0.000 0.793 153 P CB 0.857 32.312 31.700 -0.407 0.000 0.977 154 S N 0.267 115.951 115.700 -0.026 0.000 2.584 154 S HA 0.121 4.590 4.470 -0.000 0.000 0.270 154 S C 0.371 175.008 174.600 0.062 0.000 1.346 154 S CA -0.725 57.494 58.200 0.031 0.000 1.018 154 S CB -0.237 62.981 63.200 0.030 0.000 0.899 154 S HN 0.256 nan 8.310 nan 0.000 0.542 155 V N 3.925 123.902 119.914 0.105 0.000 2.458 155 V HA 0.170 4.290 4.120 -0.000 0.000 0.287 155 V C -1.922 174.215 176.094 0.072 0.000 1.009 155 V CA -1.169 61.216 62.300 0.143 0.000 1.091 155 V CB -0.621 31.298 31.823 0.160 0.000 0.960 155 V HN 0.769 nan 8.190 nan 0.000 0.476 156 P HA 0.066 nan 4.420 nan 0.000 0.264 156 P C 0.917 178.225 177.300 0.013 0.000 1.179 156 P CA 0.386 63.494 63.100 0.014 0.000 0.763 156 P CB 0.430 32.119 31.700 -0.018 0.000 0.806 157 R N 2.683 123.195 120.500 0.020 0.000 2.328 157 R HA -0.113 4.227 4.340 -0.000 0.000 0.207 157 R C 0.815 177.123 176.300 0.013 0.000 1.056 157 R CA 1.961 58.074 56.100 0.023 0.000 1.016 157 R CB -1.333 28.985 30.300 0.030 0.000 0.872 157 R HN 0.728 nan 8.270 nan 0.000 0.471 158 D N -2.125 118.275 120.400 0.001 0.000 2.462 158 D HA 0.121 4.760 4.640 -0.000 0.000 0.221 158 D C -0.332 175.954 176.300 -0.024 0.000 1.173 158 D CA -0.465 53.532 54.000 -0.005 0.000 0.831 158 D CB -1.301 39.498 40.800 -0.002 0.000 1.001 158 D HN 0.292 nan 8.370 nan 0.000 0.499 159 c N 1.682 120.260 118.600 -0.037 0.000 2.605 159 c HA 0.216 4.786 4.570 -0.000 0.000 0.404 159 c C -0.527 173.527 174.090 -0.059 0.000 1.284 159 c CA -0.862 55.421 56.329 -0.077 0.000 2.199 159 c CB 1.257 43.706 42.510 -0.102 0.000 2.647 159 c HN 0.199 nan 8.230 nan 0.000 0.604 160 P HA -0.050 nan 4.420 nan 0.000 0.216 160 P C 0.460 177.741 177.300 -0.031 0.000 1.150 160 P CA 1.438 64.505 63.100 -0.055 0.000 0.837 160 P CB -0.033 31.619 31.700 -0.080 0.000 0.786 161 T N -6.729 107.803 114.554 -0.037 0.000 2.893 161 T HA 0.406 4.756 4.350 -0.000 0.000 0.291 161 T C -2.349 172.368 174.700 0.027 0.000 1.028 161 T CA -2.468 59.635 62.100 0.005 0.000 0.995 161 T CB 1.899 70.779 68.868 0.020 0.000 1.051 161 T HN -0.289 nan 8.240 nan 0.000 0.470 162 P HA -0.129 nan 4.420 nan 0.000 0.218 162 P C 1.364 178.726 177.300 0.104 0.000 1.152 162 P CA 1.370 64.516 63.100 0.075 0.000 0.857 162 P CB 0.009 31.763 31.700 0.090 0.000 0.787 163 M N -3.243 116.431 119.600 0.123 0.000 2.502 163 M HA 0.244 4.723 4.480 -0.000 0.000 0.243 163 M C 1.351 177.769 176.300 0.197 0.000 1.130 163 M CA 0.918 56.318 55.300 0.166 0.000 1.055 163 M CB -0.108 32.600 32.600 0.180 0.000 1.457 163 M HN 0.096 nan 8.290 nan 0.000 0.488 164 G N 0.258 109.112 108.800 0.091 0.000 1.701 164 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.057 164 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.057 164 G C 0.572 175.358 174.900 -0.189 0.000 1.314 164 G CA 0.426 45.502 45.100 -0.041 0.000 1.162 164 G HN 0.248 nan 8.290 nan 0.000 0.358 165 T N -1.197 113.238 114.554 -0.197 0.000 2.966 165 T HA 0.406 4.756 4.350 -0.000 0.000 0.254 165 T C 0.570 175.215 174.700 -0.091 0.000 0.961 165 T CA 0.501 62.443 62.100 -0.264 0.000 0.915 165 T CB 0.621 69.157 68.868 -0.554 0.000 1.186 165 T HN 0.435 nan 8.240 nan 0.000 0.505 166 K N 1.887 122.282 120.400 -0.009 0.000 2.098 166 K HA 0.687 5.007 4.320 -0.000 0.000 0.258 166 K C 0.818 177.470 176.600 0.087 0.000 0.973 166 K CA 0.130 56.447 56.287 0.050 0.000 0.898 166 K CB 1.180 33.726 32.500 0.077 0.000 1.057 166 K HN 0.506 nan 8.250 nan 0.000 0.447 167 G N -0.600 108.264 108.800 0.107 0.000 2.582 167 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.222 167 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.222 167 G C -0.691 174.270 174.900 0.101 0.000 1.311 167 G CA -0.231 44.955 45.100 0.142 0.000 0.915 167 G HN 0.775 nan 8.290 nan 0.000 0.528 168 K N -0.651 119.811 120.400 0.104 0.000 2.090 168 K HA 0.921 5.241 4.320 -0.000 0.000 0.249 168 K C 1.641 178.274 176.600 0.055 0.000 0.995 168 K CA 1.131 57.456 56.287 0.063 0.000 0.914 168 K CB 0.282 32.809 32.500 0.045 0.000 1.057 168 K HN 2.148 nan 8.250 nan 0.000 0.462 169 K N 0.142 120.563 120.400 0.035 0.000 2.280 169 K HA -0.064 4.255 4.320 -0.000 0.000 0.202 169 K C 1.043 177.661 176.600 0.031 0.000 1.047 169 K CA 1.932 58.237 56.287 0.029 0.000 0.942 169 K CB -0.191 32.321 32.500 0.019 0.000 0.739 169 K HN 0.700 nan 8.250 nan 0.000 0.457 170 Q N -0.015 119.800 119.800 0.026 0.000 2.321 170 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 170 Q C -1.464 174.545 176.000 0.016 0.000 1.032 170 Q CA -0.916 54.899 55.803 0.020 0.000 0.784 170 Q CB 1.415 30.155 28.738 0.004 0.000 1.264 170 Q HN 0.245 nan 8.270 nan 0.000 0.448 171 L N 4.893 126.134 121.223 0.031 0.000 2.452 171 L HA 0.339 4.678 4.340 -0.000 0.000 0.267 171 L C -1.980 174.859 176.870 -0.052 0.000 1.188 171 L CA -1.275 53.574 54.840 0.015 0.000 0.821 171 L CB -0.197 41.914 42.059 0.086 0.000 1.102 171 L HN 0.601 nan 8.230 nan 0.000 0.470 172 P HA -0.023 nan 4.420 nan 0.000 0.265 172 P C -0.897 176.400 177.300 -0.005 0.000 1.187 172 P CA -0.263 62.754 63.100 -0.138 0.000 0.766 172 P CB 0.251 31.759 31.700 -0.321 0.000 0.820 173 D N 1.810 122.238 120.400 0.047 0.000 2.487 173 D HA 0.041 4.680 4.640 -0.000 0.000 0.243 173 D C 1.185 177.569 176.300 0.140 0.000 1.154 173 D CA 0.375 54.428 54.000 0.088 0.000 0.876 173 D CB 0.682 41.533 40.800 0.086 0.000 1.161 173 D HN 0.313 nan 8.370 nan 0.000 0.478 174 A N 3.725 126.610 122.820 0.108 0.000 1.902 174 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 174 A C 2.123 179.778 177.584 0.119 0.000 1.181 174 A CA 2.269 54.374 52.037 0.113 0.000 0.623 174 A CB -1.160 17.891 19.000 0.086 0.000 0.818 174 A HN 0.722 nan 8.150 nan 0.000 0.443 175 E N -1.314 118.956 120.200 0.117 0.000 2.072 175 E HA -0.134 4.215 4.350 -0.000 0.000 0.190 175 E C 1.858 178.534 176.600 0.126 0.000 0.982 175 E CA 1.304 57.769 56.400 0.108 0.000 0.803 175 E CB -0.854 28.904 29.700 0.097 0.000 0.755 175 E HN 0.716 nan 8.360 nan 0.000 0.453 176 F N 0.113 120.070 119.950 0.011 0.000 2.186 176 F HA 0.051 4.577 4.527 -0.000 0.000 0.299 176 F C 2.112 177.914 175.800 0.004 0.000 1.090 176 F CA 1.209 59.200 58.000 -0.015 0.000 1.307 176 F CB -0.097 38.891 39.000 -0.020 0.000 1.019 176 F HN 0.214 nan 8.300 nan 0.000 0.489 177 L N -0.357 120.944 121.223 0.130 0.000 2.056 177 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 177 L C 2.468 179.422 176.870 0.140 0.000 1.078 177 L CA 1.865 56.835 54.840 0.216 0.000 0.749 177 L CB -0.950 41.261 42.059 0.253 0.000 0.901 177 L HN 0.043 nan 8.230 nan 0.000 0.433 178 S N -0.910 114.833 115.700 0.072 0.000 2.406 178 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 178 S C 2.310 176.883 174.600 -0.044 0.000 1.020 178 S CA 1.150 59.381 58.200 0.052 0.000 0.965 178 S CB -0.383 62.858 63.200 0.068 0.000 0.798 178 S HN 0.605 nan 8.310 nan 0.000 0.488 179 R N 1.850 122.271 120.500 -0.133 0.000 2.073 179 R HA 0.185 4.525 4.340 -0.000 0.000 0.229 179 R C 2.070 178.157 176.300 -0.355 0.000 1.120 179 R CA 1.083 57.065 56.100 -0.198 0.000 0.967 179 R CB -0.922 29.273 30.300 -0.174 0.000 0.862 179 R HN 0.246 nan 8.270 nan 0.000 0.436 180 R N -1.542 118.558 120.500 -0.667 0.000 2.246 180 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 180 R C 0.857 176.564 176.300 -0.989 0.000 0.984 180 R CA 0.957 56.466 56.100 -0.986 0.000 1.015 180 R CB 0.212 29.543 30.300 -1.615 0.000 0.930 180 R HN 0.571 nan 8.270 nan 0.000 0.475 181 F N -1.783 118.059 119.950 -0.180 0.000 2.834 181 F HA 0.216 4.743 4.527 -0.000 0.000 0.332 181 F C 1.643 177.391 175.800 -0.086 0.000 1.056 181 F CA -0.098 57.831 58.000 -0.118 0.000 1.178 181 F CB 0.518 39.459 39.000 -0.099 0.000 1.037 181 F HN -0.194 nan 8.300 nan 0.000 0.580 182 L N -0.354 120.906 121.223 0.062 0.000 2.749 182 L HA 0.310 4.650 4.340 -0.000 0.000 0.242 182 L C 0.282 177.168 176.870 0.027 0.000 1.103 182 L CA 0.107 54.977 54.840 0.051 0.000 0.906 182 L CB 0.869 42.977 42.059 0.082 0.000 1.228 182 L HN 0.009 nan 8.230 nan 0.000 0.517 183 L N 2.312 123.530 121.223 -0.009 0.000 2.410 183 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 183 L C 0.856 177.728 176.870 0.003 0.000 1.144 183 L CA 0.052 54.891 54.840 -0.002 0.000 0.863 183 L CB 0.598 42.638 42.059 -0.033 0.000 1.140 183 L HN 0.195 nan 8.230 nan 0.000 0.463 184 R N 4.911 125.433 120.500 0.036 0.000 2.421 184 R HA 0.078 4.417 4.340 -0.000 0.000 0.305 184 R C 0.503 176.826 176.300 0.038 0.000 1.039 184 R CA -0.441 55.686 56.100 0.044 0.000 1.003 184 R CB 0.567 30.922 30.300 0.091 0.000 0.959 184 R HN 0.696 nan 8.270 nan 0.000 0.427 185 R N 3.453 123.962 120.500 0.015 0.000 2.029 185 R HA 0.063 4.403 4.340 -0.000 0.000 0.210 185 R C 0.566 176.891 176.300 0.041 0.000 1.272 185 R CA 1.230 57.336 56.100 0.010 0.000 0.998 185 R CB -1.266 29.027 30.300 -0.012 0.000 0.823 185 R HN 0.527 nan 8.270 nan 0.000 0.481 186 K N 1.614 122.037 120.400 0.038 0.000 2.098 186 K HA 0.280 4.599 4.320 -0.000 0.000 0.261 186 K C -0.490 176.174 176.600 0.107 0.000 0.987 186 K CA -0.641 55.690 56.287 0.074 0.000 0.916 186 K CB -0.046 32.483 32.500 0.048 0.000 1.039 186 K HN 0.276 nan 8.250 nan 0.000 0.455 187 F N 1.944 121.895 119.950 0.002 0.000 2.533 187 F HA 0.340 4.867 4.527 -0.000 0.000 0.378 187 F C 0.029 175.822 175.800 -0.011 0.000 1.070 187 F CA -0.417 57.583 58.000 -0.000 0.000 1.172 187 F CB 0.080 39.079 39.000 -0.001 0.000 1.085 187 F HN 0.409 nan 8.300 nan 0.000 0.552 188 I N 9.506 129.743 120.570 -0.556 0.000 2.306 188 I HA 0.247 4.417 4.170 -0.000 0.000 0.288 188 I C -2.059 173.569 176.117 -0.815 0.000 1.036 188 I CA -2.093 58.916 61.300 -0.486 0.000 1.221 188 I CB 0.639 38.467 38.000 -0.286 0.000 1.385 188 I HN 0.416 nan 8.210 nan 0.000 0.472 189 P HA 0.070 nan 4.420 nan 0.000 0.277 189 P C -0.778 176.359 177.300 -0.271 0.000 1.240 189 P CA -0.326 62.511 63.100 -0.439 0.000 0.798 189 P CB 0.852 32.532 31.700 -0.032 0.000 0.979 190 D N 3.021 123.292 120.400 -0.214 0.000 2.417 190 D HA 0.029 4.669 4.640 -0.000 0.000 0.250 190 D C -1.129 175.072 176.300 -0.165 0.000 1.166 190 D CA -1.489 52.384 54.000 -0.210 0.000 0.881 190 D CB 0.354 41.015 40.800 -0.233 0.000 1.164 190 D HN 0.191 nan 8.370 nan 0.000 0.467 191 P HA -0.116 nan 4.420 nan 0.000 0.229 191 P C 0.636 177.853 177.300 -0.138 0.000 1.160 191 P CA 0.893 63.915 63.100 -0.130 0.000 0.777 191 P CB 0.280 31.909 31.700 -0.118 0.000 0.814 192 Q N -0.896 118.792 119.800 -0.187 0.000 2.451 192 Q HA 0.185 4.524 4.340 -0.000 0.000 0.206 192 Q C 1.131 177.031 176.000 -0.166 0.000 0.947 192 Q CA 0.604 56.286 55.803 -0.202 0.000 0.937 192 Q CB -0.172 28.392 28.738 -0.290 0.000 1.025 192 Q HN 0.277 nan 8.270 nan 0.000 0.511 193 G N 1.386 110.111 108.800 -0.125 0.000 2.132 193 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.234 193 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.234 193 G C 0.129 175.017 174.900 -0.020 0.000 0.989 193 G CA 0.192 45.262 45.100 -0.049 0.000 0.676 193 G HN 0.285 nan 8.290 nan 0.000 0.522 194 T N 1.550 116.027 114.554 -0.127 0.000 2.934 194 T HA 0.407 4.757 4.350 -0.000 0.000 0.306 194 T C 0.741 175.445 174.700 0.007 0.000 1.042 194 T CA 0.794 62.792 62.100 -0.169 0.000 1.145 194 T CB 0.850 69.458 68.868 -0.433 0.000 0.982 194 T HN 0.872 nan 8.240 nan 0.000 0.544 195 N N 2.203 120.983 118.700 0.133 0.000 2.592 195 N HA 0.341 5.081 4.740 -0.000 0.000 0.292 195 N C 0.772 176.452 175.510 0.283 0.000 1.260 195 N CA -1.257 51.924 53.050 0.218 0.000 0.910 195 N CB 0.454 39.095 38.487 0.257 0.000 1.257 195 N HN 0.382 nan 8.380 nan 0.000 0.569 196 L N -1.050 120.339 121.223 0.276 0.000 2.291 196 L HA -0.009 4.331 4.340 -0.000 0.000 0.214 196 L C 2.048 179.117 176.870 0.332 0.000 1.120 196 L CA 0.851 55.807 54.840 0.193 0.000 0.799 196 L CB -0.395 41.815 42.059 0.252 0.000 0.925 196 L HN 0.581 nan 8.230 nan 0.000 0.446 197 M N -0.181 119.719 119.600 0.501 0.000 2.213 197 M HA -0.250 4.229 4.480 -0.000 0.000 0.263 197 M C 1.993 178.747 176.300 0.755 0.000 1.062 197 M CA 1.875 57.535 55.300 0.600 0.000 1.105 197 M CB -0.439 32.413 32.600 0.420 0.000 1.385 197 M HN 0.184 nan 8.290 nan 0.000 0.417 198 F N 0.026 120.314 119.950 0.564 0.000 2.128 198 F HA -0.002 4.525 4.527 -0.000 0.000 0.295 198 F C 2.077 178.099 175.800 0.370 0.000 1.100 198 F CA 1.520 59.828 58.000 0.513 0.000 1.260 198 F CB -0.607 38.521 39.000 0.213 0.000 1.009 198 F HN 0.160 nan 8.300 nan 0.000 0.476 199 A N 0.221 123.321 122.820 0.466 0.000 1.883 199 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 199 A C 1.946 179.550 177.584 0.033 0.000 1.186 199 A CA 1.869 54.030 52.037 0.207 0.000 0.624 199 A CB -1.501 17.469 19.000 -0.049 0.000 0.822 199 A HN 0.452 nan 8.150 nan 0.000 0.444 200 F N -1.906 118.166 119.950 0.204 0.000 2.456 200 F HA 0.075 4.601 4.527 -0.000 0.000 0.298 200 F C 1.831 177.604 175.800 -0.047 0.000 1.104 200 F CA 0.321 58.380 58.000 0.098 0.000 1.435 200 F CB -0.649 38.393 39.000 0.069 0.000 1.078 200 F HN 0.349 nan 8.300 nan 0.000 0.546 201 F N 0.522 120.432 119.950 -0.066 0.000 2.128 201 F HA -0.033 4.494 4.527 -0.000 0.000 0.295 201 F C 2.418 178.134 175.800 -0.139 0.000 1.100 201 F CA 1.197 58.960 58.000 -0.394 0.000 1.260 201 F CB -0.399 38.580 39.000 -0.035 0.000 1.009 201 F HN -0.089 nan 8.300 nan 0.000 0.476 202 A N -0.068 122.894 122.820 0.237 0.000 1.892 202 A HA -0.311 4.008 4.320 -0.000 0.000 0.218 202 A C 2.180 179.789 177.584 0.042 0.000 1.188 202 A CA 2.152 54.321 52.037 0.220 0.000 0.631 202 A CB -1.096 18.069 19.000 0.274 0.000 0.822 202 A HN 0.609 nan 8.150 nan 0.000 0.447 203 Q N -1.704 118.126 119.800 0.051 0.000 2.049 203 Q HA -0.228 4.112 4.340 -0.000 0.000 0.198 203 Q C 2.050 178.036 176.000 -0.023 0.000 0.971 203 Q CA 1.794 57.620 55.803 0.038 0.000 0.833 203 Q CB -0.250 28.529 28.738 0.067 0.000 0.896 203 Q HN 0.899 nan 8.270 nan 0.000 0.434 204 H N -0.444 118.488 119.070 -0.231 0.000 2.290 204 H HA -0.208 4.348 4.556 -0.000 0.000 0.298 204 H C 1.726 176.901 175.328 -0.256 0.000 1.087 204 H CA 2.316 58.169 56.048 -0.324 0.000 1.291 204 H CB -0.495 28.994 29.762 -0.455 0.000 1.369 204 H HN 0.350 nan 8.280 nan 0.000 0.492 205 F N 1.193 120.833 119.950 -0.516 0.000 2.102 205 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 205 F C 2.614 177.864 175.800 -0.916 0.000 1.105 205 F CA 2.316 59.898 58.000 -0.696 0.000 1.239 205 F CB -0.971 37.720 39.000 -0.514 0.000 0.991 205 F HN 0.363 nan 8.300 nan 0.000 0.474 206 T N -3.133 110.791 114.554 -1.050 0.000 2.951 206 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 206 T C 1.472 175.243 174.700 -1.549 0.000 1.073 206 T CA 1.573 62.621 62.100 -1.752 0.000 1.134 206 T CB -0.990 67.141 68.868 -1.227 0.000 0.884 206 T HN 0.424 nan 8.240 nan 0.000 0.479 207 H N 1.738 120.287 119.070 -0.869 0.000 2.562 207 H HA 0.103 4.659 4.556 -0.000 0.000 0.272 207 H C 2.388 177.344 175.328 -0.620 0.000 1.019 207 H CA 0.995 56.734 56.048 -0.515 0.000 1.160 207 H CB -0.107 29.602 29.762 -0.087 0.000 1.334 207 H HN 0.732 nan 8.280 nan 0.000 0.611 208 Q N -0.221 119.023 119.800 -0.927 0.000 2.339 208 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 208 Q C 0.657 176.326 176.000 -0.553 0.000 0.925 208 Q CA 0.751 56.122 55.803 -0.720 0.000 0.898 208 Q CB 0.034 28.227 28.738 -0.908 0.000 1.013 208 Q HN 0.585 nan 8.270 nan 0.000 0.504 209 F N -2.644 116.896 119.950 -0.684 0.000 2.688 209 F HA 0.526 5.053 4.527 -0.000 0.000 0.310 209 F C -0.547 174.895 175.800 -0.596 0.000 1.098 209 F CA -1.191 56.429 58.000 -0.633 0.000 1.228 209 F CB 0.632 39.232 39.000 -0.666 0.000 1.042 209 F HN -0.220 nan 8.300 nan 0.000 0.557 210 F N 2.779 122.471 119.950 -0.429 0.000 2.434 210 F HA 0.510 5.037 4.527 -0.000 0.000 0.367 210 F C -0.234 175.407 175.800 -0.264 0.000 1.093 210 F CA -1.626 56.197 58.000 -0.295 0.000 1.085 210 F CB 1.387 40.038 39.000 -0.581 0.000 1.322 210 F HN -0.077 nan 8.300 nan 0.000 0.452 211 K N 1.874 122.326 120.400 0.087 0.000 2.827 211 K HA 0.256 4.576 4.320 -0.000 0.000 0.186 211 K C -0.500 176.139 176.600 0.064 0.000 1.093 211 K CA -0.338 55.957 56.287 0.014 0.000 0.993 211 K CB 1.155 33.615 32.500 -0.067 0.000 1.199 211 K HN 0.351 nan 8.250 nan 0.000 0.598 212 T N 1.073 115.716 114.554 0.148 0.000 2.867 212 T HA -0.030 4.320 4.350 -0.000 0.000 0.297 212 T C 0.586 175.338 174.700 0.086 0.000 0.989 212 T CA 0.225 62.435 62.100 0.184 0.000 1.159 212 T CB 0.919 69.908 68.868 0.203 0.000 0.928 212 T HN 0.302 nan 8.240 nan 0.000 0.538 213 S N 2.354 118.094 115.700 0.068 0.000 2.568 213 S HA 0.290 4.760 4.470 -0.000 0.000 0.282 213 S C 1.622 176.240 174.600 0.029 0.000 1.338 213 S CA -0.173 58.042 58.200 0.025 0.000 1.045 213 S CB 0.515 63.710 63.200 -0.007 0.000 0.873 213 S HN 0.834 nan 8.310 nan 0.000 0.516 214 G N 3.908 112.714 108.800 0.009 0.000 2.408 214 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.213 214 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.213 214 G C 1.434 176.328 174.900 -0.011 0.000 1.177 214 G CA 0.524 45.629 45.100 0.009 0.000 0.802 214 G HN 0.777 nan 8.290 nan 0.000 0.533 215 K N 0.054 120.431 120.400 -0.038 0.000 2.137 215 K HA 0.177 4.497 4.320 -0.000 0.000 0.202 215 K C 2.254 178.782 176.600 -0.120 0.000 1.052 215 K CA 0.632 56.879 56.287 -0.066 0.000 0.961 215 K CB -0.404 32.054 32.500 -0.070 0.000 0.741 215 K HN 0.321 nan 8.250 nan 0.000 0.452 216 M N 0.937 120.428 119.600 -0.182 0.000 2.419 216 M HA 0.053 4.532 4.480 -0.000 0.000 0.264 216 M C 0.857 177.033 176.300 -0.207 0.000 1.082 216 M CA 1.004 56.073 55.300 -0.384 0.000 1.119 216 M CB -0.128 32.078 32.600 -0.656 0.000 1.398 216 M HN 0.548 nan 8.290 nan 0.000 0.453 217 G N 0.316 109.114 108.800 -0.004 0.000 2.545 217 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.216 217 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.216 217 G C -3.006 172.033 174.900 0.231 0.000 1.314 217 G CA -1.219 43.946 45.100 0.109 0.000 0.906 217 G HN 0.141 nan 8.290 nan 0.000 0.563 218 P HA 0.456 nan 4.420 nan 0.000 0.275 218 P C 0.901 178.311 177.300 0.185 0.000 1.228 218 P CA 1.763 64.972 63.100 0.182 0.000 0.786 218 P CB 0.990 32.755 31.700 0.108 0.000 0.927 219 G N 0.269 109.163 108.800 0.157 0.000 2.195 219 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 219 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 219 G C -0.218 174.538 174.900 -0.240 0.000 0.984 219 G CA -0.408 44.706 45.100 0.022 0.000 0.633 219 G HN 0.403 nan 8.290 nan 0.000 0.525 220 F N 0.402 120.350 119.950 -0.002 0.000 2.492 220 F HA 0.756 5.283 4.527 -0.000 0.000 0.327 220 F C 0.518 176.066 175.800 -0.421 0.000 1.079 220 F CA -0.217 57.624 58.000 -0.265 0.000 0.967 220 F CB 2.471 41.322 39.000 -0.249 0.000 1.169 220 F HN 0.027 nan 8.300 nan 0.000 0.472 221 T N 1.320 115.648 114.554 -0.376 0.000 2.876 221 T HA 0.296 4.645 4.350 -0.000 0.000 0.289 221 T C 0.479 175.038 174.700 -0.235 0.000 1.014 221 T CA -0.687 61.139 62.100 -0.456 0.000 0.986 221 T CB 1.275 69.611 68.868 -0.887 0.000 1.021 221 T HN 0.634 nan 8.240 nan 0.000 0.458 222 K N 2.209 122.509 120.400 -0.167 0.000 2.305 222 K HA 0.206 4.526 4.320 -0.000 0.000 0.199 222 K C 0.985 177.488 176.600 -0.161 0.000 1.047 222 K CA 0.212 56.421 56.287 -0.130 0.000 0.976 222 K CB 0.188 32.637 32.500 -0.085 0.000 0.765 222 K HN 0.626 nan 8.250 nan 0.000 0.474 223 A N 2.141 124.832 122.820 -0.215 0.000 2.805 223 A HA 0.182 4.502 4.320 -0.000 0.000 0.301 223 A C 1.086 178.446 177.584 -0.372 0.000 1.557 223 A CA -0.061 51.829 52.037 -0.246 0.000 1.254 223 A CB -0.609 18.251 19.000 -0.235 0.000 1.114 223 A HN 0.179 nan 8.150 nan 0.000 0.553 224 L N 1.945 123.027 121.223 -0.236 0.000 2.395 224 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 224 L C 2.501 179.327 176.870 -0.073 0.000 1.130 224 L CA 0.934 55.672 54.840 -0.169 0.000 0.826 224 L CB -0.103 41.920 42.059 -0.060 0.000 0.941 224 L HN 0.720 nan 8.230 nan 0.000 0.451 225 G N -2.032 106.712 108.800 -0.093 0.000 2.471 225 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 225 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 225 G C 0.548 175.476 174.900 0.046 0.000 1.125 225 G CA -0.010 45.085 45.100 -0.010 0.000 0.775 225 G HN 0.561 nan 8.290 nan 0.000 0.548 226 H N -0.236 118.812 119.070 -0.035 0.000 2.677 226 H HA -0.161 4.395 4.556 -0.000 0.000 0.321 226 H C 1.207 176.473 175.328 -0.103 0.000 1.171 226 H CA 1.217 57.239 56.048 -0.043 0.000 1.139 226 H CB -1.409 28.326 29.762 -0.046 0.000 1.515 226 H HN 0.887 nan 8.280 nan 0.000 0.423 227 G N -1.709 107.054 108.800 -0.062 0.000 2.439 227 G HA2 0.060 4.020 3.960 -0.000 0.000 0.186 227 G HA3 0.060 4.020 3.960 -0.000 0.000 0.186 227 G C -0.688 174.171 174.900 -0.069 0.000 1.260 227 G CA -0.296 44.671 45.100 -0.221 0.000 1.020 227 G HN 0.237 nan 8.290 nan 0.000 0.470 228 V N 2.833 122.728 119.914 -0.031 0.000 2.153 228 V HA 0.290 4.410 4.120 -0.000 0.000 0.250 228 V C 0.611 176.753 176.094 0.080 0.000 1.334 228 V CA 0.924 63.258 62.300 0.056 0.000 1.249 228 V CB 0.226 32.146 31.823 0.163 0.000 1.371 228 V HN 0.757 nan 8.190 nan 0.000 0.498 229 D N 2.651 123.085 120.400 0.057 0.000 2.417 229 D HA 0.027 4.667 4.640 -0.000 0.000 0.207 229 D C 0.894 177.282 176.300 0.148 0.000 1.075 229 D CA -0.326 53.725 54.000 0.086 0.000 0.851 229 D CB 0.387 41.218 40.800 0.052 0.000 0.976 229 D HN 0.262 nan 8.370 nan 0.000 0.505 230 L N 0.559 121.875 121.223 0.154 0.000 3.898 230 L HA -0.132 4.207 4.340 -0.000 0.000 0.407 230 L C 1.576 178.589 176.870 0.238 0.000 1.207 230 L CA 0.624 55.616 54.840 0.254 0.000 0.931 230 L CB -2.044 40.150 42.059 0.225 0.000 2.014 230 L HN 0.313 nan 8.230 nan 0.000 0.858 231 G N -0.782 108.116 108.800 0.163 0.000 2.776 231 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.209 231 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.209 231 G C 1.168 176.051 174.900 -0.028 0.000 1.145 231 G CA 0.652 45.792 45.100 0.066 0.000 0.791 231 G HN 0.810 nan 8.290 nan 0.000 0.530 232 H N -0.768 118.133 119.070 -0.281 0.000 2.548 232 H HA 0.284 4.840 4.556 -0.000 0.000 0.265 232 H C 1.688 176.828 175.328 -0.312 0.000 0.969 232 H CA -0.094 55.698 56.048 -0.428 0.000 1.155 232 H CB -0.081 29.400 29.762 -0.469 0.000 1.394 232 H HN 0.442 nan 8.280 nan 0.000 0.570 233 I N -0.977 119.272 120.570 -0.535 0.000 3.443 233 I HA -0.012 4.158 4.170 -0.000 0.000 0.277 233 I C 1.247 177.082 176.117 -0.470 0.000 1.169 233 I CA 0.062 61.007 61.300 -0.592 0.000 1.419 233 I CB 0.142 37.599 38.000 -0.906 0.000 1.331 233 I HN -0.054 nan 8.210 nan 0.000 0.458 234 Y N 1.358 121.622 120.300 -0.060 0.000 2.509 234 Y HA 0.484 5.034 4.550 -0.000 0.000 0.270 234 Y C 1.211 177.114 175.900 0.005 0.000 1.103 234 Y CA 0.267 58.383 58.100 0.027 0.000 1.278 234 Y CB 0.016 38.551 38.460 0.124 0.000 1.087 234 Y HN 0.147 nan 8.280 nan 0.000 0.542 235 G N 0.830 109.677 108.800 0.079 0.000 2.587 235 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.686 235 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.686 235 G C -0.578 174.331 174.900 0.014 0.000 1.236 235 G CA -0.349 44.759 45.100 0.012 0.000 0.820 235 G HN 0.292 nan 8.290 nan 0.000 0.645 236 D N -0.456 119.924 120.400 -0.033 0.000 2.340 236 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 236 D C 0.817 177.094 176.300 -0.038 0.000 1.039 236 D CA 0.802 54.776 54.000 -0.043 0.000 0.866 236 D CB 0.040 40.794 40.800 -0.076 0.000 0.913 236 D HN 0.764 nan 8.370 nan 0.000 0.523 237 N N -0.372 118.309 118.700 -0.031 0.000 2.610 237 N HA 0.110 4.850 4.740 -0.000 0.000 0.264 237 N C 0.182 175.654 175.510 -0.062 0.000 1.348 237 N CA -0.814 52.207 53.050 -0.049 0.000 0.819 237 N CB 1.132 39.582 38.487 -0.061 0.000 1.521 237 N HN -0.076 nan 8.380 nan 0.000 0.497 238 L N 0.350 121.497 121.223 -0.127 0.000 2.156 238 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 238 L C 1.697 178.379 176.870 -0.312 0.000 1.095 238 L CA 1.506 56.188 54.840 -0.263 0.000 0.770 238 L CB -0.259 41.552 42.059 -0.413 0.000 0.914 238 L HN 0.615 nan 8.230 nan 0.000 0.439 239 E N -0.260 119.819 120.200 -0.201 0.000 2.085 239 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 239 E C 2.170 178.759 176.600 -0.018 0.000 0.994 239 E CA 1.128 57.461 56.400 -0.112 0.000 0.801 239 E CB -0.173 29.482 29.700 -0.075 0.000 0.743 239 E HN 0.270 nan 8.360 nan 0.000 0.453 240 R N 0.524 121.012 120.500 -0.019 0.000 2.073 240 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 240 R C 2.425 178.760 176.300 0.057 0.000 1.120 240 R CA 1.529 57.637 56.100 0.013 0.000 0.967 240 R CB -0.067 30.227 30.300 -0.009 0.000 0.862 240 R HN 0.248 nan 8.270 nan 0.000 0.436 241 Q N -0.392 119.447 119.800 0.066 0.000 2.020 241 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 241 Q C 1.742 177.834 176.000 0.155 0.000 0.982 241 Q CA 1.854 57.727 55.803 0.116 0.000 0.838 241 Q CB -0.294 28.522 28.738 0.130 0.000 0.899 241 Q HN 0.552 nan 8.270 nan 0.000 0.423 242 Y N -0.058 120.239 120.300 -0.004 0.000 2.207 242 Y HA -0.280 4.269 4.550 -0.000 0.000 0.287 242 Y C 2.548 178.566 175.900 0.195 0.000 1.156 242 Y CA 0.850 59.038 58.100 0.146 0.000 1.182 242 Y CB 0.163 38.762 38.460 0.231 0.000 0.979 242 Y HN 0.305 nan 8.280 nan 0.000 0.521 243 Q N 0.045 119.999 119.800 0.257 0.000 2.230 243 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 243 Q C 1.859 177.926 176.000 0.112 0.000 0.963 243 Q CA 1.029 56.926 55.803 0.157 0.000 0.866 243 Q CB -0.107 28.688 28.738 0.095 0.000 0.931 243 Q HN 0.417 nan 8.270 nan 0.000 0.452 244 L N -0.525 120.750 121.223 0.087 0.000 2.446 244 L HA 0.086 4.426 4.340 -0.000 0.000 0.219 244 L C 0.301 177.187 176.870 0.027 0.000 1.116 244 L CA 0.445 55.319 54.840 0.056 0.000 0.844 244 L CB 0.217 42.305 42.059 0.049 0.000 0.970 244 L HN -0.080 nan 8.230 nan 0.000 0.457 245 R N -0.471 120.006 120.500 -0.039 0.000 2.390 245 R HA 0.132 4.472 4.340 -0.000 0.000 0.291 245 R C 0.894 177.180 176.300 -0.025 0.000 1.070 245 R CA -0.204 55.774 56.100 -0.203 0.000 1.014 245 R CB 1.016 30.858 30.300 -0.763 0.000 1.007 245 R HN 0.070 nan 8.270 nan 0.000 0.466 246 L N 2.895 124.121 121.223 0.005 0.000 2.395 246 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 246 L C 0.018 177.004 176.870 0.194 0.000 1.130 246 L CA 0.821 55.727 54.840 0.109 0.000 0.826 246 L CB 0.092 42.222 42.059 0.119 0.000 0.941 246 L HN 0.803 nan 8.230 nan 0.000 0.451 247 F N -0.578 119.344 119.950 -0.048 0.000 3.006 247 F HA -0.330 4.197 4.527 -0.000 0.000 0.289 247 F C 0.697 176.489 175.800 -0.014 0.000 0.772 247 F CA 1.097 59.051 58.000 -0.077 0.000 1.162 247 F CB -1.282 37.640 39.000 -0.129 0.000 1.382 247 F HN 0.109 nan 8.300 nan 0.000 0.406 248 K N 0.518 120.999 120.400 0.135 0.000 2.426 248 K HA 0.402 4.722 4.320 -0.000 0.000 0.254 248 K C 0.134 176.812 176.600 0.131 0.000 0.936 248 K CA -0.349 56.014 56.287 0.127 0.000 0.801 248 K CB 1.182 33.753 32.500 0.118 0.000 1.139 248 K HN 0.008 nan 8.250 nan 0.000 0.424 249 D N 2.893 123.371 120.400 0.131 0.000 3.039 249 D HA -0.204 4.436 4.640 -0.000 0.000 0.222 249 D C 0.672 177.078 176.300 0.176 0.000 1.179 249 D CA 1.946 56.034 54.000 0.146 0.000 0.880 249 D CB -1.222 39.657 40.800 0.132 0.000 1.115 249 D HN 1.054 nan 8.370 nan 0.000 0.416 250 G N -0.958 107.949 108.800 0.179 0.000 2.184 250 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.264 250 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.264 250 G C 0.386 175.538 174.900 0.420 0.000 0.975 250 G CA 0.775 46.039 45.100 0.273 0.000 0.642 250 G HN 0.517 nan 8.290 nan 0.000 0.536 251 K N -0.413 120.169 120.400 0.304 0.000 2.107 251 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 251 K C 0.567 177.323 176.600 0.260 0.000 1.012 251 K CA -0.522 55.983 56.287 0.363 0.000 0.920 251 K CB 0.673 33.340 32.500 0.277 0.000 1.033 251 K HN 0.185 nan 8.250 nan 0.000 0.478 252 L N 0.993 122.357 121.223 0.236 0.000 2.387 252 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 252 L C 0.198 177.189 176.870 0.203 0.000 1.059 252 L CA -0.778 54.139 54.840 0.128 0.000 0.801 252 L CB 0.393 42.483 42.059 0.053 0.000 1.223 252 L HN 0.347 nan 8.230 nan 0.000 0.456 253 K N 0.502 120.989 120.400 0.144 0.000 2.380 253 K HA 0.335 4.655 4.320 -0.000 0.000 0.267 253 K C -1.142 175.593 176.600 0.226 0.000 0.990 253 K CA 0.208 56.575 56.287 0.133 0.000 0.946 253 K CB 0.427 32.961 32.500 0.056 0.000 0.937 253 K HN 0.600 nan 8.250 nan 0.000 0.491 254 Y N -2.099 118.239 120.300 0.063 0.000 2.670 254 Y HA 0.300 4.850 4.550 -0.000 0.000 0.334 254 Y C -1.640 174.302 175.900 0.071 0.000 1.185 254 Y CA -1.389 56.753 58.100 0.070 0.000 1.053 254 Y CB 1.143 39.642 38.460 0.065 0.000 1.298 254 Y HN 0.581 nan 8.280 nan 0.000 0.459 255 Q N 2.006 121.934 119.800 0.214 0.000 2.397 255 Q HA 0.616 4.956 4.340 -0.000 0.000 0.275 255 Q C -1.482 174.675 176.000 0.262 0.000 1.090 255 Q CA -1.281 54.594 55.803 0.119 0.000 0.809 255 Q CB 2.715 31.499 28.738 0.078 0.000 1.362 255 Q HN 0.638 nan 8.270 nan 0.000 0.431 256 M N 3.603 123.311 119.600 0.181 0.000 2.069 256 M HA 0.405 4.885 4.480 -0.000 0.000 0.349 256 M C -1.244 175.146 176.300 0.151 0.000 1.194 256 M CA -0.189 55.232 55.300 0.202 0.000 1.081 256 M CB 0.143 32.840 32.600 0.162 0.000 1.500 256 M HN 0.655 nan 8.290 nan 0.000 0.438 257 L N 4.933 126.281 121.223 0.209 0.000 2.319 257 L HA 0.435 4.774 4.340 -0.000 0.000 0.281 257 L C 0.310 177.264 176.870 0.141 0.000 1.005 257 L CA -0.630 54.280 54.840 0.117 0.000 0.828 257 L CB 1.190 43.244 42.059 -0.008 0.000 1.227 257 L HN 0.694 nan 8.230 nan 0.000 0.415 258 N N 2.619 121.364 118.700 0.075 0.000 2.714 258 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 258 N C 0.964 176.520 175.510 0.077 0.000 1.117 258 N CA 1.237 54.325 53.050 0.064 0.000 0.719 258 N CB -1.064 37.455 38.487 0.053 0.000 1.081 258 N HN 1.155 nan 8.380 nan 0.000 0.557 259 G N -1.346 107.505 108.800 0.084 0.000 2.159 259 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 259 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 259 G C -0.304 174.637 174.900 0.069 0.000 0.977 259 G CA 0.655 45.797 45.100 0.069 0.000 0.652 259 G HN 0.489 nan 8.290 nan 0.000 0.531 260 E N -0.226 120.044 120.200 0.117 0.000 2.207 260 E HA 0.544 4.894 4.350 -0.000 0.000 0.270 260 E C -0.025 176.590 176.600 0.026 0.000 0.927 260 E CA -0.811 55.615 56.400 0.045 0.000 0.799 260 E CB 2.510 32.261 29.700 0.086 0.000 1.172 260 E HN 0.112 nan 8.360 nan 0.000 0.404 261 V N 3.326 123.129 119.914 -0.185 0.000 2.461 261 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 261 V C -0.733 175.148 176.094 -0.355 0.000 1.047 261 V CA -0.009 62.210 62.300 -0.135 0.000 0.955 261 V CB -0.388 31.307 31.823 -0.212 0.000 0.988 261 V HN 0.520 nan 8.190 nan 0.000 0.471 262 Y N 4.251 124.616 120.300 0.107 0.000 2.581 262 Y HA 0.485 5.034 4.550 -0.000 0.000 0.345 262 Y C -2.380 173.595 175.900 0.123 0.000 1.036 262 Y CA -2.727 55.424 58.100 0.085 0.000 1.042 262 Y CB 2.193 40.688 38.460 0.059 0.000 1.289 262 Y HN 0.424 nan 8.280 nan 0.000 0.471 263 P HA -0.003 nan 4.420 nan 0.000 0.266 263 P C -2.499 174.902 177.300 0.168 0.000 1.193 263 P CA -0.648 62.569 63.100 0.195 0.000 0.770 263 P CB -0.034 31.768 31.700 0.169 0.000 0.836 264 P HA 0.004 nan 4.420 nan 0.000 0.273 264 P C -0.320 177.011 177.300 0.052 0.000 1.250 264 P CA -0.010 63.136 63.100 0.076 0.000 0.793 264 P CB 0.366 32.098 31.700 0.054 0.000 1.011 265 S N -0.475 115.235 115.700 0.017 0.000 2.617 265 S HA 0.120 4.590 4.470 -0.000 0.000 0.269 265 S C 1.455 176.051 174.600 -0.007 0.000 1.292 265 S CA -0.704 57.491 58.200 -0.009 0.000 1.010 265 S CB 0.174 63.355 63.200 -0.032 0.000 0.944 265 S HN 0.225 nan 8.310 nan 0.000 0.536 266 V N 1.758 121.658 119.914 -0.023 0.000 2.594 266 V HA -0.157 3.963 4.120 -0.000 0.000 0.253 266 V C 2.511 178.595 176.094 -0.017 0.000 1.069 266 V CA 2.065 64.357 62.300 -0.014 0.000 1.082 266 V CB -1.253 30.552 31.823 -0.029 0.000 0.680 266 V HN 0.907 nan 8.190 nan 0.000 0.469 267 E N -0.416 119.767 120.200 -0.027 0.000 2.150 267 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 267 E C 2.197 178.787 176.600 -0.016 0.000 0.985 267 E CA 1.032 57.417 56.400 -0.024 0.000 0.814 267 E CB -0.041 29.640 29.700 -0.032 0.000 0.752 267 E HN 0.612 nan 8.360 nan 0.000 0.466 268 E N 0.183 120.375 120.200 -0.013 0.000 2.122 268 E HA 0.036 4.385 4.350 -0.000 0.000 0.190 268 E C 0.432 177.036 176.600 0.006 0.000 0.977 268 E CA 0.409 56.803 56.400 -0.009 0.000 0.820 268 E CB 0.417 30.107 29.700 -0.017 0.000 0.770 268 E HN 0.050 nan 8.360 nan 0.000 0.462 269 A N 2.582 125.411 122.820 0.015 0.000 2.536 269 A HA 0.417 4.737 4.320 -0.000 0.000 0.329 269 A C -2.513 175.085 177.584 0.023 0.000 1.321 269 A CA -1.508 50.547 52.037 0.029 0.000 0.804 269 A CB 0.636 19.660 19.000 0.041 0.000 1.126 269 A HN -0.173 nan 8.150 nan 0.000 0.480 270 P HA 0.231 nan 4.420 nan 0.000 0.244 270 P C -0.136 177.170 177.300 0.009 0.000 1.769 270 P CA 0.207 63.312 63.100 0.009 0.000 1.102 270 P CB 0.039 31.741 31.700 0.004 0.000 1.937 271 V N 0.169 120.089 119.914 0.011 0.000 2.919 271 V HA 0.430 4.550 4.120 -0.000 0.000 0.316 271 V C -0.043 176.044 176.094 -0.013 0.000 1.077 271 V CA -1.427 60.873 62.300 0.000 0.000 0.977 271 V CB 2.277 34.102 31.823 0.005 0.000 1.039 271 V HN 0.098 nan 8.190 nan 0.000 0.441 272 L N 4.156 125.354 121.223 -0.043 0.000 2.500 272 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 272 L C -0.733 176.073 176.870 -0.107 0.000 1.149 272 L CA 0.744 55.531 54.840 -0.088 0.000 0.897 272 L CB 0.540 42.524 42.059 -0.125 0.000 1.178 272 L HN 0.751 nan 8.230 nan 0.000 0.473 273 M N 5.132 124.695 119.600 -0.063 0.000 2.259 273 M HA 0.253 4.733 4.480 -0.000 0.000 0.304 273 M C -0.752 175.535 176.300 -0.022 0.000 1.019 273 M CA -0.604 54.696 55.300 0.001 0.000 0.922 273 M CB 1.515 34.273 32.600 0.264 0.000 1.600 273 M HN 0.485 nan 8.290 nan 0.000 0.433 274 H N 2.923 121.966 119.070 -0.044 0.000 2.944 274 H HA 0.355 4.911 4.556 -0.000 0.000 0.278 274 H C -1.385 173.817 175.328 -0.209 0.000 1.083 274 H CA 0.935 56.948 56.048 -0.059 0.000 1.479 274 H CB 0.235 29.964 29.762 -0.054 0.000 1.486 274 H HN 0.389 nan 8.280 nan 0.000 0.493 275 Y N 1.993 122.387 120.300 0.157 0.000 2.562 275 Y HA 0.276 4.826 4.550 -0.000 0.000 0.345 275 Y C -2.031 173.900 175.900 0.052 0.000 1.045 275 Y CA -2.680 55.488 58.100 0.113 0.000 1.028 275 Y CB 1.126 39.624 38.460 0.065 0.000 1.297 275 Y HN 0.589 nan 8.280 nan 0.000 0.463 276 P HA 0.201 nan 4.420 nan 0.000 0.264 276 P C -0.408 176.915 177.300 0.038 0.000 1.193 276 P CA -0.136 62.963 63.100 -0.001 0.000 0.763 276 P CB 0.378 32.012 31.700 -0.109 0.000 0.810 277 R N 2.194 122.700 120.500 0.011 0.000 2.457 277 R HA 0.438 4.777 4.340 -0.000 0.000 0.335 277 R C 1.239 177.537 176.300 -0.004 0.000 1.003 277 R CA 0.389 56.496 56.100 0.011 0.000 1.003 277 R CB -1.298 29.005 30.300 0.005 0.000 0.950 277 R HN 0.917 nan 8.270 nan 0.000 0.428 278 G N 1.368 110.166 108.800 -0.004 0.000 3.211 278 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.202 278 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.202 278 G C 0.323 175.209 174.900 -0.023 0.000 1.035 278 G CA -0.199 44.892 45.100 -0.014 0.000 0.846 278 G HN 0.648 nan 8.290 nan 0.000 0.464 279 I N 4.656 125.212 120.570 -0.023 0.000 2.741 279 I HA 0.155 4.325 4.170 -0.000 0.000 0.288 279 I C -1.276 174.787 176.117 -0.090 0.000 1.192 279 I CA -1.058 60.210 61.300 -0.053 0.000 1.426 279 I CB 0.674 38.641 38.000 -0.056 0.000 1.367 279 I HN 0.070 nan 8.210 nan 0.000 0.563 280 P HA 0.077 nan 4.420 nan 0.000 0.268 280 P C -2.304 174.918 177.300 -0.129 0.000 1.205 280 P CA -1.292 61.755 63.100 -0.089 0.000 0.771 280 P CB 0.078 31.735 31.700 -0.072 0.000 0.858 281 P HA -0.099 nan 4.420 nan 0.000 0.226 281 P C 1.642 178.871 177.300 -0.118 0.000 1.153 281 P CA 1.072 64.097 63.100 -0.125 0.000 0.777 281 P CB 0.031 31.682 31.700 -0.081 0.000 0.794 282 Q N -0.266 119.476 119.800 -0.098 0.000 2.119 282 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 282 Q C 1.633 177.570 176.000 -0.105 0.000 0.972 282 Q CA 1.447 57.199 55.803 -0.085 0.000 0.847 282 Q CB -0.218 28.480 28.738 -0.068 0.000 0.903 282 Q HN 0.139 nan 8.270 nan 0.000 0.433 283 S N 0.406 116.027 115.700 -0.132 0.000 2.496 283 S HA 0.017 4.486 4.470 -0.000 0.000 0.224 283 S C 0.088 174.561 174.600 -0.212 0.000 0.996 283 S CA 0.151 58.264 58.200 -0.146 0.000 0.927 283 S CB 0.115 63.237 63.200 -0.129 0.000 0.774 283 S HN 0.383 nan 8.310 nan 0.000 0.524 284 Q N 0.839 120.453 119.800 -0.308 0.000 2.314 284 Q HA 0.399 4.739 4.340 -0.000 0.000 0.258 284 Q C -0.628 175.268 176.000 -0.173 0.000 0.954 284 Q CA 0.479 55.982 55.803 -0.499 0.000 0.890 284 Q CB 0.715 29.079 28.738 -0.624 0.000 1.210 284 Q HN 0.320 nan 8.270 nan 0.000 0.410 285 M N 1.513 121.116 119.600 0.004 0.000 2.311 285 M HA 0.490 4.969 4.480 -0.000 0.000 0.325 285 M C -0.871 175.536 176.300 0.177 0.000 1.061 285 M CA -0.769 54.597 55.300 0.110 0.000 0.957 285 M CB 2.027 34.711 32.600 0.140 0.000 1.646 285 M HN 0.634 nan 8.290 nan 0.000 0.434 286 A N 3.678 126.569 122.820 0.118 0.000 2.269 286 A HA 0.707 5.026 4.320 -0.000 0.000 0.302 286 A C -0.315 177.323 177.584 0.090 0.000 1.266 286 A CA -0.530 51.568 52.037 0.102 0.000 0.894 286 A CB 0.115 19.154 19.000 0.066 0.000 1.147 286 A HN 0.743 nan 8.150 nan 0.000 0.537 287 V N 0.216 120.174 119.914 0.073 0.000 3.156 287 V HA 0.875 4.995 4.120 -0.000 0.000 0.311 287 V C 1.166 177.228 176.094 -0.052 0.000 1.208 287 V CA -0.066 62.257 62.300 0.037 0.000 1.063 287 V CB 0.949 32.843 31.823 0.117 0.000 1.098 287 V HN 0.875 nan 8.190 nan 0.000 0.452 288 G N -0.958 107.769 108.800 -0.122 0.000 2.433 288 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 288 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 288 G C 0.700 175.433 174.900 -0.278 0.000 1.186 288 G CA 0.661 45.653 45.100 -0.180 0.000 0.779 288 G HN 0.661 nan 8.290 nan 0.000 0.543 289 Q N 0.111 119.580 119.800 -0.551 0.000 2.243 289 Q HA 0.232 4.572 4.340 -0.000 0.000 0.252 289 Q C 0.828 176.538 176.000 -0.483 0.000 0.909 289 Q CA -0.182 55.173 55.803 -0.747 0.000 0.922 289 Q CB 1.726 29.440 28.738 -1.707 0.000 1.215 289 Q HN 0.319 nan 8.270 nan 0.000 0.427 290 E N 1.113 121.169 120.200 -0.241 0.000 2.274 290 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 290 E C 1.400 178.012 176.600 0.020 0.000 0.996 290 E CA 0.923 57.284 56.400 -0.065 0.000 0.840 290 E CB 0.119 29.842 29.700 0.039 0.000 0.772 290 E HN 0.491 nan 8.360 nan 0.000 0.491 291 V N -2.090 117.829 119.914 0.008 0.000 3.596 291 V HA 0.142 4.262 4.120 -0.000 0.000 0.289 291 V C 0.998 177.179 176.094 0.144 0.000 1.336 291 V CA 0.148 62.486 62.300 0.064 0.000 1.137 291 V CB -0.525 31.334 31.823 0.060 0.000 0.966 291 V HN -0.018 nan 8.190 nan 0.000 0.428 292 F N 2.769 122.643 119.950 -0.126 0.000 2.661 292 F HA 0.354 4.881 4.527 -0.000 0.000 0.298 292 F C 2.265 177.987 175.800 -0.131 0.000 1.137 292 F CA 0.491 58.426 58.000 -0.108 0.000 1.454 292 F CB -0.876 38.108 39.000 -0.027 0.000 1.103 292 F HN 0.382 nan 8.300 nan 0.000 0.577 293 G N -0.950 107.819 108.800 -0.051 0.000 2.813 293 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.209 293 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.209 293 G C 1.591 176.385 174.900 -0.178 0.000 1.150 293 G CA 0.155 45.166 45.100 -0.148 0.000 0.785 293 G HN 0.127 nan 8.290 nan 0.000 0.535 294 L N -0.032 121.064 121.223 -0.211 0.000 2.072 294 L HA 0.323 4.662 4.340 -0.000 0.000 0.205 294 L C 1.151 177.744 176.870 -0.463 0.000 1.079 294 L CA 0.933 55.602 54.840 -0.285 0.000 0.752 294 L CB -0.564 41.332 42.059 -0.271 0.000 0.906 294 L HN 0.082 nan 8.230 nan 0.000 0.436 295 L N -0.596 120.386 121.223 -0.401 0.000 2.341 295 L HA 0.281 4.620 4.340 -0.000 0.000 0.278 295 L C -1.509 175.029 176.870 -0.553 0.000 1.005 295 L CA -1.559 52.945 54.840 -0.560 0.000 0.818 295 L CB 1.730 43.562 42.059 -0.378 0.000 1.259 295 L HN -0.168 nan 8.230 nan 0.000 0.418 296 P HA -0.098 nan 4.420 nan 0.000 0.222 296 P C 1.381 178.433 177.300 -0.414 0.000 1.147 296 P CA 0.823 63.617 63.100 -0.511 0.000 0.790 296 P CB 0.325 31.683 31.700 -0.569 0.000 0.780 297 G N -0.667 107.703 108.800 -0.717 0.000 2.421 297 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.217 297 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.217 297 G C 1.284 175.918 174.900 -0.443 0.000 1.143 297 G CA 0.444 44.885 45.100 -1.099 0.000 0.784 297 G HN 0.157 nan 8.290 nan 0.000 0.541 298 L N -0.352 120.651 121.223 -0.367 0.000 2.095 298 L HA 0.252 4.592 4.340 -0.000 0.000 0.204 298 L C 2.565 179.268 176.870 -0.279 0.000 1.080 298 L CA 1.093 55.704 54.840 -0.381 0.000 0.759 298 L CB -0.479 41.231 42.059 -0.581 0.000 0.914 298 L HN 0.191 nan 8.230 nan 0.000 0.439 299 M N -1.351 118.145 119.600 -0.173 0.000 2.557 299 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 299 M C 1.837 178.127 176.300 -0.016 0.000 1.086 299 M CA 1.283 56.568 55.300 -0.024 0.000 1.096 299 M CB -0.400 32.200 32.600 -0.000 0.000 1.424 299 M HN 0.185 nan 8.290 nan 0.000 0.488 300 L N -1.245 119.924 121.223 -0.090 0.000 1.988 300 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 300 L C 1.855 178.612 176.870 -0.188 0.000 1.071 300 L CA 1.709 56.476 54.840 -0.122 0.000 0.744 300 L CB -0.508 41.452 42.059 -0.165 0.000 0.893 300 L HN 0.240 nan 8.230 nan 0.000 0.433 301 Y N -0.145 120.018 120.300 -0.229 0.000 2.200 301 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 301 Y C 2.645 178.470 175.900 -0.125 0.000 1.137 301 Y CA 1.269 59.169 58.100 -0.333 0.000 1.163 301 Y CB -0.701 37.277 38.460 -0.803 0.000 0.988 301 Y HN 0.289 nan 8.280 nan 0.000 0.518 302 A N -0.360 122.532 122.820 0.120 0.000 1.948 302 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 302 A C 2.258 179.949 177.584 0.179 0.000 1.177 302 A CA 2.483 54.700 52.037 0.300 0.000 0.636 302 A CB -1.247 17.966 19.000 0.354 0.000 0.815 302 A HN 0.441 nan 8.150 nan 0.000 0.449 303 T N 0.069 114.677 114.554 0.089 0.000 2.777 303 T HA -0.038 4.311 4.350 -0.000 0.000 0.266 303 T C 1.799 176.472 174.700 -0.044 0.000 1.040 303 T CA 1.410 63.526 62.100 0.027 0.000 1.141 303 T CB -0.375 68.495 68.868 0.003 0.000 0.868 303 T HN 0.446 nan 8.240 nan 0.000 0.444 304 I N -0.560 119.949 120.570 -0.102 0.000 2.142 304 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 304 I C 2.247 178.275 176.117 -0.149 0.000 1.078 304 I CA 1.463 62.637 61.300 -0.210 0.000 1.343 304 I CB -0.379 37.395 38.000 -0.376 0.000 1.046 304 I HN 0.302 nan 8.210 nan 0.000 0.405 305 W N 0.615 121.915 121.300 -0.001 0.000 2.374 305 W HA -0.162 4.497 4.660 -0.001 0.000 0.288 305 W C 2.460 178.995 176.519 0.026 0.000 1.218 305 W CA 0.635 57.999 57.345 0.032 0.000 1.245 305 W CB -0.342 29.136 29.460 0.030 0.000 1.126 305 W HN 0.130 nan 8.180 nan 0.000 0.545 306 L N 0.501 121.845 121.223 0.201 0.000 2.056 306 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 306 L C 2.568 179.503 176.870 0.108 0.000 1.078 306 L CA 1.660 56.575 54.840 0.124 0.000 0.749 306 L CB -0.340 41.768 42.059 0.081 0.000 0.901 306 L HN -0.098 nan 8.230 nan 0.000 0.433 307 R N -0.626 119.889 120.500 0.024 0.000 2.092 307 R HA -0.210 4.130 4.340 -0.000 0.000 0.231 307 R C 2.168 178.469 176.300 0.001 0.000 1.119 307 R CA 1.464 57.539 56.100 -0.042 0.000 0.970 307 R CB -0.185 30.044 30.300 -0.119 0.000 0.864 307 R HN 0.345 nan 8.270 nan 0.000 0.440 308 E N 0.054 120.278 120.200 0.039 0.000 2.072 308 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 308 E C 1.702 178.395 176.600 0.156 0.000 0.985 308 E CA 1.636 58.076 56.400 0.067 0.000 0.801 308 E CB -0.175 29.555 29.700 0.050 0.000 0.750 308 E HN 0.417 nan 8.360 nan 0.000 0.452 309 H N -0.065 119.097 119.070 0.154 0.000 2.289 309 H HA -0.122 4.434 4.556 -0.000 0.000 0.296 309 H C 1.615 177.029 175.328 0.142 0.000 1.091 309 H CA 2.491 58.653 56.048 0.189 0.000 1.274 309 H CB -0.141 29.760 29.762 0.232 0.000 1.364 309 H HN 0.163 nan 8.280 nan 0.000 0.490 310 N N 0.138 118.989 118.700 0.251 0.000 2.188 310 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 310 N C 1.981 177.515 175.510 0.040 0.000 1.018 310 N CA 1.067 54.203 53.050 0.143 0.000 0.858 310 N CB -0.382 38.153 38.487 0.080 0.000 0.989 310 N HN 0.399 nan 8.380 nan 0.000 0.426 311 R N 0.820 121.332 120.500 0.020 0.000 2.096 311 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 311 R C 1.557 177.861 176.300 0.005 0.000 1.127 311 R CA 0.950 57.048 56.100 -0.003 0.000 0.968 311 R CB -0.187 30.104 30.300 -0.015 0.000 0.861 311 R HN 0.018 nan 8.270 nan 0.000 0.440 312 V N 0.338 120.258 119.914 0.010 0.000 2.307 312 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 312 V C 2.544 178.640 176.094 0.003 0.000 1.045 312 V CA 1.725 64.031 62.300 0.009 0.000 1.024 312 V CB -0.459 31.371 31.823 0.012 0.000 0.651 312 V HN 0.518 nan 8.190 nan 0.000 0.449 313 C N 0.065 119.349 119.300 -0.027 0.000 2.413 313 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 313 C C 2.459 177.479 174.990 0.050 0.000 1.265 313 C CA 0.941 59.973 59.018 0.024 0.000 1.752 313 C CB -1.092 26.678 27.740 0.049 0.000 1.998 313 C HN 0.590 nan 8.230 nan 0.000 0.489 314 D N 0.537 120.955 120.400 0.030 0.000 2.219 314 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 314 D C 1.983 178.283 176.300 -0.000 0.000 0.970 314 D CA 0.911 54.922 54.000 0.018 0.000 0.851 314 D CB -0.252 40.552 40.800 0.007 0.000 0.943 314 D HN 0.462 nan 8.370 nan 0.000 0.488 315 L N -0.308 120.915 121.223 -0.001 0.000 2.240 315 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 315 L C 1.956 178.802 176.870 -0.039 0.000 1.106 315 L CA 0.218 55.046 54.840 -0.020 0.000 0.793 315 L CB 0.028 42.084 42.059 -0.005 0.000 0.927 315 L HN 0.021 nan 8.230 nan 0.000 0.446 316 L N 0.386 121.613 121.223 0.006 0.000 2.127 316 L HA -0.077 4.263 4.340 -0.000 0.000 0.203 316 L C 2.988 179.836 176.870 -0.036 0.000 1.080 316 L CA 1.973 56.826 54.840 0.022 0.000 0.768 316 L CB -1.171 40.992 42.059 0.173 0.000 0.924 316 L HN 0.138 nan 8.230 nan 0.000 0.444 317 K N -0.262 120.148 120.400 0.017 0.000 2.147 317 K HA 0.030 4.349 4.320 -0.000 0.000 0.205 317 K C 2.177 178.738 176.600 -0.064 0.000 1.049 317 K CA 1.391 57.687 56.287 0.015 0.000 0.936 317 K CB -1.276 31.258 32.500 0.057 0.000 0.722 317 K HN 0.419 nan 8.250 nan 0.000 0.446 318 A N 0.754 123.518 122.820 -0.093 0.000 1.929 318 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 318 A C 2.256 179.707 177.584 -0.222 0.000 1.176 318 A CA 1.869 53.834 52.037 -0.120 0.000 0.628 318 A CB -0.202 18.741 19.000 -0.094 0.000 0.816 318 A HN 0.613 nan 8.150 nan 0.000 0.444 319 E N -0.314 119.669 120.200 -0.361 0.000 2.072 319 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 319 E C -0.247 175.793 176.600 -0.933 0.000 0.982 319 E CA 0.994 56.989 56.400 -0.675 0.000 0.803 319 E CB -0.046 29.117 29.700 -0.895 0.000 0.755 319 E HN 0.796 nan 8.360 nan 0.000 0.453 320 H N -1.100 117.696 119.070 -0.457 0.000 2.569 320 H HA 0.214 4.770 4.556 -0.000 0.000 0.247 320 H C -2.053 173.103 175.328 -0.286 0.000 1.346 320 H CA -1.711 53.981 56.048 -0.593 0.000 1.502 320 H CB 1.331 30.137 29.762 -1.593 0.000 1.512 320 H HN 0.079 nan 8.280 nan 0.000 0.502 321 P HA -0.106 nan 4.420 nan 0.000 0.237 321 P C 1.197 178.544 177.300 0.079 0.000 1.178 321 P CA 0.853 63.959 63.100 0.010 0.000 0.766 321 P CB 0.300 31.993 31.700 -0.012 0.000 0.876 322 T N -7.051 107.571 114.554 0.114 0.000 3.044 322 T HA 0.048 4.398 4.350 -0.000 0.000 0.250 322 T C 0.374 175.255 174.700 0.301 0.000 1.081 322 T CA -0.425 61.778 62.100 0.173 0.000 1.040 322 T CB -0.523 68.438 68.868 0.156 0.000 0.962 322 T HN -0.166 nan 8.240 nan 0.000 0.506 323 W N 2.815 124.153 121.300 0.062 0.000 2.210 323 W HA 0.644 5.303 4.660 -0.001 0.000 0.330 323 W C 1.153 177.696 176.519 0.040 0.000 1.334 323 W CA -0.884 56.484 57.345 0.039 0.000 1.227 323 W CB 0.045 29.530 29.460 0.043 0.000 1.178 323 W HN 0.293 nan 8.180 nan 0.000 0.560 324 G N 1.722 110.618 108.800 0.161 0.000 2.616 324 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.268 324 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.268 324 G C 0.545 175.509 174.900 0.106 0.000 1.213 324 G CA 0.002 45.162 45.100 0.099 0.000 0.926 324 G HN 0.522 nan 8.290 nan 0.000 0.523 325 D N -0.885 119.572 120.400 0.094 0.000 2.104 325 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 325 D C 2.041 178.386 176.300 0.075 0.000 0.994 325 D CA 1.720 55.777 54.000 0.095 0.000 0.830 325 D CB 0.006 40.859 40.800 0.087 0.000 0.959 325 D HN 0.454 nan 8.370 nan 0.000 0.452 326 E N 0.057 120.275 120.200 0.031 0.000 2.077 326 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 326 E C 2.074 178.681 176.600 0.011 0.000 0.989 326 E CA 1.304 57.721 56.400 0.028 0.000 0.800 326 E CB -0.276 29.426 29.700 0.004 0.000 0.746 326 E HN 0.470 nan 8.360 nan 0.000 0.452 327 Q N -0.448 119.281 119.800 -0.119 0.000 2.123 327 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 327 Q C 2.179 178.059 176.000 -0.201 0.000 0.966 327 Q CA 1.020 56.613 55.803 -0.350 0.000 0.845 327 Q CB -0.039 28.232 28.738 -0.779 0.000 0.907 327 Q HN 0.352 nan 8.270 nan 0.000 0.439 328 L N -0.098 121.169 121.223 0.073 0.000 2.131 328 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 328 L C 2.195 179.172 176.870 0.179 0.000 1.092 328 L CA 1.007 55.999 54.840 0.253 0.000 0.759 328 L CB -0.368 41.857 42.059 0.277 0.000 0.903 328 L HN 0.313 nan 8.230 nan 0.000 0.435 329 F N 0.263 120.228 119.950 0.024 0.000 2.074 329 F HA -0.189 4.338 4.527 -0.000 0.000 0.293 329 F C 2.685 178.490 175.800 0.008 0.000 1.116 329 F CA 1.414 59.445 58.000 0.051 0.000 1.212 329 F CB -0.250 38.740 39.000 -0.017 0.000 0.998 329 F HN -0.024 nan 8.300 nan 0.000 0.471 330 Q N 0.074 119.771 119.800 -0.171 0.000 2.124 330 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 330 Q C 2.198 178.036 176.000 -0.270 0.000 0.977 330 Q CA 2.184 57.799 55.803 -0.313 0.000 0.850 330 Q CB -1.149 27.512 28.738 -0.128 0.000 0.901 330 Q HN 0.440 nan 8.270 nan 0.000 0.429 331 T N 1.312 115.762 114.554 -0.174 0.000 2.777 331 T HA -0.059 4.290 4.350 -0.000 0.000 0.266 331 T C 1.918 176.622 174.700 0.007 0.000 1.040 331 T CA 1.290 63.348 62.100 -0.071 0.000 1.141 331 T CB -0.218 68.686 68.868 0.059 0.000 0.868 331 T HN 0.397 nan 8.240 nan 0.000 0.444 332 A N 1.878 124.666 122.820 -0.052 0.000 1.902 332 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 332 A C 2.290 179.854 177.584 -0.034 0.000 1.181 332 A CA 1.879 53.861 52.037 -0.091 0.000 0.623 332 A CB -0.628 18.154 19.000 -0.364 0.000 0.818 332 A HN 0.451 nan 8.150 nan 0.000 0.443 333 R N -0.150 120.245 120.500 -0.174 0.000 2.083 333 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 333 R C 1.938 178.273 176.300 0.058 0.000 1.137 333 R CA 1.897 57.907 56.100 -0.150 0.000 0.951 333 R CB -0.506 29.363 30.300 -0.718 0.000 0.851 333 R HN 0.504 nan 8.270 nan 0.000 0.434 334 L N 0.306 121.557 121.223 0.046 0.000 2.083 334 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 334 L C 2.485 179.651 176.870 0.494 0.000 1.083 334 L CA 1.167 56.129 54.840 0.204 0.000 0.752 334 L CB -0.394 41.671 42.059 0.009 0.000 0.899 334 L HN 0.284 nan 8.230 nan 0.000 0.433 335 I N -0.562 120.289 120.570 0.468 0.000 2.179 335 I HA -0.311 3.858 4.170 -0.000 0.000 0.242 335 I C 2.385 178.709 176.117 0.345 0.000 1.088 335 I CA 1.231 62.795 61.300 0.439 0.000 1.357 335 I CB -0.179 38.010 38.000 0.315 0.000 1.051 335 I HN 0.157 nan 8.210 nan 0.000 0.409 336 L N 0.244 121.668 121.223 0.335 0.000 2.083 336 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 336 L C 2.306 179.363 176.870 0.311 0.000 1.083 336 L CA 1.785 56.857 54.840 0.387 0.000 0.752 336 L CB -0.489 41.830 42.059 0.434 0.000 0.899 336 L HN 0.164 nan 8.230 nan 0.000 0.433 337 I N -1.085 119.658 120.570 0.288 0.000 2.179 337 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 337 I C 2.488 178.778 176.117 0.288 0.000 1.088 337 I CA 1.496 62.951 61.300 0.257 0.000 1.357 337 I CB -0.934 37.225 38.000 0.265 0.000 1.051 337 I HN 0.345 nan 8.210 nan 0.000 0.409 338 G N 0.104 109.134 108.800 0.383 0.000 2.418 338 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.217 338 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.217 338 G C 1.524 176.573 174.900 0.247 0.000 1.158 338 G CA 0.549 45.881 45.100 0.386 0.000 0.771 338 G HN 0.397 nan 8.290 nan 0.000 0.545 339 E N -0.056 120.308 120.200 0.274 0.000 2.085 339 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 339 E C 2.813 179.606 176.600 0.322 0.000 0.994 339 E CA 1.493 58.068 56.400 0.292 0.000 0.801 339 E CB -0.253 29.674 29.700 0.377 0.000 0.743 339 E HN 0.357 nan 8.360 nan 0.000 0.453 340 T N 1.684 116.451 114.554 0.354 0.000 2.607 340 T HA -0.187 4.162 4.350 -0.000 0.000 0.267 340 T C 2.033 176.811 174.700 0.129 0.000 1.049 340 T CA 1.358 63.651 62.100 0.322 0.000 1.162 340 T CB -0.347 68.602 68.868 0.136 0.000 0.863 340 T HN 0.126 nan 8.240 nan 0.000 0.424 341 I N 1.105 121.659 120.570 -0.025 0.000 2.264 341 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 341 I C 2.553 178.348 176.117 -0.537 0.000 1.111 341 I CA 1.252 62.377 61.300 -0.292 0.000 1.382 341 I CB -0.394 37.352 38.000 -0.423 0.000 1.060 341 I HN 0.168 nan 8.210 nan 0.000 0.418 342 K N 2.018 122.120 120.400 -0.496 0.000 2.009 342 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 342 K C 1.824 178.417 176.600 -0.011 0.000 1.049 342 K CA 1.942 58.096 56.287 -0.222 0.000 0.929 342 K CB -0.445 32.110 32.500 0.090 0.000 0.714 342 K HN 0.291 nan 8.250 nan 0.000 0.440 343 I N -0.034 120.581 120.570 0.075 0.000 2.353 343 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 343 I C 2.088 178.250 176.117 0.075 0.000 1.119 343 I CA 0.560 61.946 61.300 0.142 0.000 1.417 343 I CB -0.120 38.042 38.000 0.270 0.000 1.078 343 I HN -0.038 nan 8.210 nan 0.000 0.421 344 V N 1.033 120.929 119.914 -0.029 0.000 2.295 344 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 344 V C 2.370 178.452 176.094 -0.019 0.000 1.049 344 V CA 1.576 63.766 62.300 -0.185 0.000 1.024 344 V CB -0.346 31.204 31.823 -0.455 0.000 0.648 344 V HN 0.290 nan 8.190 nan 0.000 0.447 345 I N -0.049 120.513 120.570 -0.013 0.000 2.193 345 I HA -0.152 4.018 4.170 -0.000 0.000 0.240 345 I C 2.416 178.590 176.117 0.094 0.000 1.084 345 I CA 1.718 63.057 61.300 0.065 0.000 1.365 345 I CB -1.025 37.027 38.000 0.086 0.000 1.064 345 I HN 0.433 nan 8.210 nan 0.000 0.410 346 E N -0.145 120.114 120.200 0.098 0.000 2.442 346 E HA -0.072 4.277 4.350 -0.000 0.000 0.195 346 E C 1.476 178.140 176.600 0.107 0.000 1.030 346 E CA 0.439 56.902 56.400 0.105 0.000 0.869 346 E CB 0.396 30.168 29.700 0.118 0.000 0.857 346 E HN 0.557 nan 8.360 nan 0.000 0.505 347 E N -0.921 119.362 120.200 0.138 0.000 2.564 347 E HA -0.007 4.343 4.350 -0.000 0.000 0.203 347 E C 1.370 178.066 176.600 0.160 0.000 0.867 347 E CA -0.119 56.414 56.400 0.221 0.000 1.250 347 E CB 0.006 29.911 29.700 0.341 0.000 1.215 347 E HN 0.095 nan 8.360 nan 0.000 0.566 348 Y N 1.955 122.141 120.300 -0.190 0.000 2.109 348 Y HA -0.191 4.359 4.550 -0.000 0.000 0.285 348 Y C 2.133 177.970 175.900 -0.106 0.000 1.131 348 Y CA 1.492 59.275 58.100 -0.529 0.000 1.121 348 Y CB -0.075 37.946 38.460 -0.731 0.000 0.987 348 Y HN -0.204 nan 8.280 nan 0.000 0.495 349 V N 0.584 120.600 119.914 0.169 0.000 2.667 349 V HA -0.251 3.868 4.120 -0.000 0.000 0.252 349 V C 2.213 178.280 176.094 -0.045 0.000 1.065 349 V CA 1.885 64.256 62.300 0.118 0.000 1.083 349 V CB -0.721 31.214 31.823 0.186 0.000 0.692 349 V HN 0.393 nan 8.190 nan 0.000 0.468 350 Q N 0.600 120.383 119.800 -0.029 0.000 2.030 350 Q HA -0.274 4.065 4.340 -0.000 0.000 0.204 350 Q C 2.257 178.173 176.000 -0.141 0.000 0.986 350 Q CA 2.380 58.142 55.803 -0.069 0.000 0.843 350 Q CB -0.407 28.329 28.738 -0.004 0.000 0.904 350 Q HN 0.636 nan 8.270 nan 0.000 0.420 351 Q N -0.539 119.187 119.800 -0.123 0.000 2.119 351 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 351 Q C 1.828 177.619 176.000 -0.348 0.000 0.972 351 Q CA 1.423 57.112 55.803 -0.190 0.000 0.847 351 Q CB -0.449 28.220 28.738 -0.115 0.000 0.903 351 Q HN 0.471 nan 8.270 nan 0.000 0.433 352 L N -0.001 121.003 121.223 -0.365 0.000 2.027 352 L HA -0.114 4.225 4.340 -0.000 0.000 0.206 352 L C 2.244 178.881 176.870 -0.389 0.000 1.074 352 L CA 2.273 56.865 54.840 -0.414 0.000 0.745 352 L CB -0.751 41.198 42.059 -0.183 0.000 0.898 352 L HN 0.429 nan 8.230 nan 0.000 0.433 353 S N -1.125 114.332 115.700 -0.404 0.000 2.414 353 S HA 0.110 4.580 4.470 -0.000 0.000 0.227 353 S C 1.716 175.966 174.600 -0.585 0.000 1.022 353 S CA 0.458 58.238 58.200 -0.700 0.000 0.958 353 S CB -0.700 61.719 63.200 -1.302 0.000 0.797 353 S HN 0.764 nan 8.310 nan 0.000 0.493 354 G N 0.437 109.014 108.800 -0.372 0.000 2.168 354 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.257 354 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.257 354 G C -0.007 174.879 174.900 -0.023 0.000 0.997 354 G CA 0.388 45.368 45.100 -0.199 0.000 0.708 354 G HN 0.682 nan 8.290 nan 0.000 0.520 355 Y N -1.149 119.041 120.300 -0.183 0.000 2.397 355 Y HA 0.359 4.909 4.550 0.000 0.000 0.335 355 Y C 1.510 177.298 175.900 -0.186 0.000 1.213 355 Y CA -1.042 56.920 58.100 -0.231 0.000 1.391 355 Y CB 0.367 38.651 38.460 -0.295 0.000 1.293 355 Y HN 0.001 nan 8.280 nan 0.000 0.557 356 F N 1.108 120.709 119.950 -0.582 0.000 2.615 356 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 356 F C 0.697 176.145 175.800 -0.587 0.000 1.124 356 F CA -0.202 57.431 58.000 -0.612 0.000 1.451 356 F CB -0.326 38.195 39.000 -0.798 0.000 1.103 356 F HN 0.271 nan 8.300 nan 0.000 0.569 357 L N 1.530 122.377 121.223 -0.627 0.000 2.433 357 L HA 0.076 4.415 4.340 -0.000 0.000 0.275 357 L C 0.638 177.461 176.870 -0.078 0.000 1.128 357 L CA 0.197 54.848 54.840 -0.316 0.000 0.875 357 L CB 0.131 41.966 42.059 -0.372 0.000 1.171 357 L HN 0.087 nan 8.230 nan 0.000 0.463 358 Q N 5.518 125.320 119.800 0.004 0.000 2.359 358 Q HA 0.157 4.497 4.340 -0.000 0.000 0.249 358 Q C -0.639 175.384 176.000 0.037 0.000 1.181 358 Q CA -0.238 55.575 55.803 0.015 0.000 0.897 358 Q CB 0.167 28.922 28.738 0.028 0.000 1.424 358 Q HN 0.703 nan 8.270 nan 0.000 0.478 359 L N 3.625 124.874 121.223 0.042 0.000 2.506 359 L HA 0.080 4.420 4.340 -0.000 0.000 0.281 359 L C 0.352 177.269 176.870 0.077 0.000 1.228 359 L CA 0.804 55.684 54.840 0.067 0.000 0.850 359 L CB 0.183 42.288 42.059 0.077 0.000 1.110 359 L HN 0.484 nan 8.230 nan 0.000 0.496 360 K N 2.831 123.282 120.400 0.084 0.000 2.443 360 K HA 0.304 4.624 4.320 -0.000 0.000 0.252 360 K C -1.427 175.247 176.600 0.124 0.000 0.933 360 K CA -0.704 55.634 56.287 0.085 0.000 0.792 360 K CB 1.585 34.106 32.500 0.035 0.000 1.185 360 K HN 0.310 nan 8.250 nan 0.000 0.425 361 F N 4.567 124.511 119.950 -0.010 0.000 2.368 361 F HA 0.323 4.850 4.527 -0.000 0.000 0.362 361 F C -0.957 174.788 175.800 -0.092 0.000 1.137 361 F CA -0.583 57.392 58.000 -0.042 0.000 1.161 361 F CB 0.548 39.549 39.000 0.002 0.000 1.265 361 F HN 0.470 nan 8.300 nan 0.000 0.530 362 D N 8.142 128.184 120.400 -0.596 0.000 2.375 362 D HA 0.351 4.991 4.640 -0.000 0.000 0.241 362 D C -2.314 173.505 176.300 -0.802 0.000 1.361 362 D CA -1.983 51.597 54.000 -0.701 0.000 0.995 362 D CB 2.111 42.702 40.800 -0.348 0.000 1.312 362 D HN 0.172 nan 8.370 nan 0.000 0.576 363 P HA -0.042 nan 4.420 nan 0.000 0.222 363 P C 0.879 177.434 177.300 -1.242 0.000 1.147 363 P CA 0.706 63.181 63.100 -1.042 0.000 0.790 363 P CB 0.410 31.300 31.700 -1.350 0.000 0.780 364 E N -0.375 119.079 120.200 -1.243 0.000 2.209 364 E HA -0.156 4.193 4.350 -0.000 0.000 0.196 364 E C 1.788 177.901 176.600 -0.811 0.000 0.993 364 E CA 0.738 56.337 56.400 -1.334 0.000 0.819 364 E CB -0.609 28.812 29.700 -0.465 0.000 0.745 364 E HN 0.294 nan 8.360 nan 0.000 0.477 365 L N 0.125 121.026 121.223 -0.536 0.000 2.079 365 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 365 L C 1.997 178.740 176.870 -0.212 0.000 1.081 365 L CA 0.937 55.607 54.840 -0.283 0.000 0.752 365 L CB -0.233 41.694 42.059 -0.221 0.000 0.896 365 L HN 0.166 nan 8.230 nan 0.000 0.433 366 L N -1.637 119.417 121.223 -0.281 0.000 2.611 366 L HA 0.059 4.399 4.340 -0.000 0.000 0.229 366 L C 1.827 178.807 176.870 0.183 0.000 1.137 366 L CA -0.043 54.726 54.840 -0.118 0.000 0.901 366 L CB -0.241 41.606 42.059 -0.352 0.000 1.098 366 L HN 0.174 nan 8.230 nan 0.000 0.456 367 F N 0.092 120.066 119.950 0.039 0.000 2.407 367 F HA -0.034 4.493 4.527 -0.001 0.000 0.299 367 F C 2.164 178.017 175.800 0.088 0.000 1.097 367 F CA 0.380 58.434 58.000 0.091 0.000 1.422 367 F CB 0.072 39.118 39.000 0.077 0.000 1.067 367 F HN 0.232 nan 8.300 nan 0.000 0.539 368 G N -0.145 108.802 108.800 0.245 0.000 3.141 368 G HA2 0.428 4.388 3.960 -0.000 0.000 0.218 368 G HA3 0.428 4.388 3.960 -0.000 0.000 0.218 368 G C 0.096 175.077 174.900 0.136 0.000 1.170 368 G CA 0.323 45.520 45.100 0.162 0.000 0.769 368 G HN 0.251 nan 8.290 nan 0.000 0.546 369 A N -0.421 122.491 122.820 0.154 0.000 2.386 369 A HA 0.732 5.051 4.320 -0.000 0.000 0.308 369 A C -0.324 177.359 177.584 0.166 0.000 1.128 369 A CA -0.694 51.426 52.037 0.138 0.000 0.789 369 A CB 1.032 20.102 19.000 0.117 0.000 1.325 369 A HN 0.183 nan 8.150 nan 0.000 0.437 370 Q N 0.461 120.346 119.800 0.141 0.000 2.369 370 Q HA 0.429 4.768 4.340 -0.000 0.000 0.247 370 Q C -1.760 174.324 176.000 0.141 0.000 1.083 370 Q CA 0.455 56.331 55.803 0.122 0.000 0.905 370 Q CB 0.451 29.233 28.738 0.073 0.000 1.305 370 Q HN 0.479 nan 8.270 nan 0.000 0.465 371 F N 1.761 121.674 119.950 -0.063 0.000 2.557 371 F HA 0.239 4.766 4.527 -0.001 0.000 0.316 371 F C -0.813 174.824 175.800 -0.271 0.000 1.141 371 F CA -0.891 56.990 58.000 -0.198 0.000 0.922 371 F CB 1.744 40.560 39.000 -0.307 0.000 1.194 371 F HN 0.239 nan 8.300 nan 0.000 0.443 372 Q N 5.497 124.936 119.800 -0.601 0.000 2.294 372 Q HA 0.127 4.467 4.340 -0.000 0.000 0.257 372 Q C -1.006 174.769 176.000 -0.375 0.000 0.955 372 Q CA -0.044 55.548 55.803 -0.352 0.000 0.936 372 Q CB 0.956 29.526 28.738 -0.281 0.000 1.188 372 Q HN 0.726 nan 8.270 nan 0.000 0.420 373 Y N 2.916 123.263 120.300 0.079 0.000 2.994 373 Y HA 0.101 4.651 4.550 -0.001 0.000 0.393 373 Y C 0.780 176.697 175.900 0.028 0.000 1.118 373 Y CA -0.330 57.850 58.100 0.133 0.000 1.906 373 Y CB 0.143 38.687 38.460 0.139 0.000 1.925 373 Y HN 0.360 nan 8.280 nan 0.000 0.446 374 R N -0.068 120.462 120.500 0.049 0.000 2.774 374 R HA 0.555 4.895 4.340 -0.000 0.000 0.272 374 R C -1.769 174.505 176.300 -0.043 0.000 1.000 374 R CA -0.990 55.114 56.100 0.005 0.000 0.906 374 R CB 1.979 32.268 30.300 -0.018 0.000 1.227 374 R HN 0.216 nan 8.270 nan 0.000 0.468 375 N N 0.918 119.589 118.700 -0.047 0.000 2.371 375 N HA 0.278 5.018 4.740 -0.000 0.000 0.280 375 N C -1.739 173.715 175.510 -0.092 0.000 1.084 375 N CA -0.656 52.359 53.050 -0.057 0.000 0.892 375 N CB 2.710 41.184 38.487 -0.022 0.000 1.653 375 N HN 0.651 nan 8.380 nan 0.000 0.480 376 R N 3.680 124.114 120.500 -0.111 0.000 2.561 376 R HA 0.429 4.769 4.340 -0.000 0.000 0.297 376 R C -0.384 175.942 176.300 0.044 0.000 0.969 376 R CA -0.679 55.302 56.100 -0.199 0.000 0.879 376 R CB 0.939 31.032 30.300 -0.346 0.000 1.178 376 R HN 0.452 nan 8.270 nan 0.000 0.445 377 I N 3.528 124.281 120.570 0.305 0.000 2.598 377 I HA 0.111 4.281 4.170 -0.000 0.000 0.284 377 I C 0.751 177.078 176.117 0.351 0.000 1.140 377 I CA 0.261 61.790 61.300 0.381 0.000 1.420 377 I CB 0.469 38.793 38.000 0.541 0.000 1.387 377 I HN 0.681 nan 8.210 nan 0.000 0.553 378 A N 7.270 130.197 122.820 0.178 0.000 2.293 378 A HA 0.496 4.816 4.320 -0.000 0.000 0.302 378 A C 1.197 178.725 177.584 -0.094 0.000 1.119 378 A CA -0.677 51.387 52.037 0.046 0.000 0.823 378 A CB 0.837 19.794 19.000 -0.073 0.000 1.097 378 A HN 0.835 nan 8.150 nan 0.000 0.491 379 M N 0.006 119.526 119.600 -0.132 0.000 2.229 379 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 379 M C 0.941 177.059 176.300 -0.303 0.000 1.063 379 M CA 2.107 57.221 55.300 -0.310 0.000 1.114 379 M CB -0.716 31.780 32.600 -0.173 0.000 1.387 379 M HN 0.712 nan 8.290 nan 0.000 0.420 380 E N 0.912 120.946 120.200 -0.277 0.000 2.150 380 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 380 E C 1.678 178.212 176.600 -0.110 0.000 0.985 380 E CA 1.267 57.456 56.400 -0.351 0.000 0.814 380 E CB -0.393 29.107 29.700 -0.334 0.000 0.752 380 E HN 0.514 nan 8.360 nan 0.000 0.466 381 F N 1.823 121.417 119.950 -0.594 0.000 2.186 381 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 381 F C 1.896 177.556 175.800 -0.233 0.000 1.090 381 F CA 1.174 58.917 58.000 -0.428 0.000 1.307 381 F CB -0.419 38.205 39.000 -0.628 0.000 1.019 381 F HN 0.046 nan 8.300 nan 0.000 0.489 382 N N -0.113 118.311 118.700 -0.460 0.000 2.104 382 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 382 N C 1.740 176.870 175.510 -0.634 0.000 1.024 382 N CA 1.332 53.726 53.050 -1.094 0.000 0.853 382 N CB -0.075 37.843 38.487 -0.947 0.000 1.008 382 N HN 0.408 nan 8.380 nan 0.000 0.424 383 Q N 0.798 120.468 119.800 -0.217 0.000 2.083 383 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 383 Q C 2.293 178.458 176.000 0.274 0.000 0.969 383 Q CA 0.536 56.388 55.803 0.082 0.000 0.838 383 Q CB -0.251 28.586 28.738 0.165 0.000 0.900 383 Q HN 0.457 nan 8.270 nan 0.000 0.436 384 L N -0.555 120.821 121.223 0.255 0.000 2.141 384 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 384 L C 1.712 178.659 176.870 0.129 0.000 1.094 384 L CA 1.169 56.175 54.840 0.276 0.000 0.763 384 L CB -0.149 42.108 42.059 0.330 0.000 0.908 384 L HN 0.148 nan 8.230 nan 0.000 0.437 385 Y N -0.967 119.119 120.300 -0.356 0.000 2.471 385 Y HA 0.027 4.577 4.550 -0.000 0.000 0.286 385 Y C 0.573 175.939 175.900 -0.890 0.000 1.188 385 Y CA -0.334 57.236 58.100 -0.882 0.000 1.286 385 Y CB 0.056 37.928 38.460 -0.980 0.000 1.072 385 Y HN 0.187 nan 8.280 nan 0.000 0.517 386 H N 0.280 119.251 119.070 -0.166 0.000 3.198 386 H HA -0.068 4.488 4.556 -0.000 0.000 0.255 386 H C -0.665 174.683 175.328 0.032 0.000 1.729 386 H CA -0.010 55.930 56.048 -0.181 0.000 1.495 386 H CB -0.549 29.199 29.762 -0.024 0.000 1.807 386 H HN 0.394 nan 8.280 nan 0.000 0.554 387 W N 2.675 123.891 121.300 -0.140 0.000 1.809 387 W HA 0.139 4.799 4.660 -0.000 0.000 0.399 387 W C 0.929 177.432 176.519 -0.028 0.000 0.636 387 W CA -1.032 56.321 57.345 0.014 0.000 2.178 387 W CB -0.702 28.855 29.460 0.161 0.000 1.632 387 W HN 0.586 nan 8.180 nan 0.000 0.470 388 H N -0.002 119.309 119.070 0.402 0.000 2.491 388 H HA -0.035 4.521 4.556 -0.000 0.000 0.290 388 H C -0.734 174.737 175.328 0.238 0.000 1.050 388 H CA 0.777 56.998 56.048 0.289 0.000 1.309 388 H CB -1.404 28.503 29.762 0.241 0.000 1.392 388 H HN 0.119 nan 8.280 nan 0.000 0.554 389 P HA -0.083 nan 4.420 nan 0.000 0.228 389 P C 1.605 178.991 177.300 0.144 0.000 1.151 389 P CA 0.672 63.876 63.100 0.173 0.000 0.770 389 P CB -0.220 31.533 31.700 0.089 0.000 0.786 390 L N -2.458 118.877 121.223 0.186 0.000 2.141 390 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 390 L C 1.390 178.370 176.870 0.182 0.000 1.094 390 L CA 0.674 55.612 54.840 0.164 0.000 0.763 390 L CB -0.572 41.622 42.059 0.225 0.000 0.908 390 L HN 0.064 nan 8.230 nan 0.000 0.437 391 M N 0.914 120.645 119.600 0.218 0.000 2.228 391 M HA 0.169 4.649 4.480 -0.000 0.000 0.351 391 M C -1.996 174.449 176.300 0.241 0.000 1.233 391 M CA -1.525 53.903 55.300 0.213 0.000 1.129 391 M CB 0.280 33.077 32.600 0.329 0.000 1.604 391 M HN -0.175 nan 8.290 nan 0.000 0.457 392 P HA 0.291 nan 4.420 nan 0.000 0.317 392 P C -0.163 177.102 177.300 -0.058 0.000 1.307 392 P CA -0.220 62.831 63.100 -0.082 0.000 0.749 392 P CB 0.783 32.221 31.700 -0.436 0.000 1.377 393 D N -1.663 118.613 120.400 -0.207 0.000 2.183 393 D HA 0.002 4.641 4.640 -0.000 0.000 0.205 393 D C 0.981 177.278 176.300 -0.005 0.000 0.962 393 D CA 1.330 55.327 54.000 -0.004 0.000 0.849 393 D CB -0.104 40.661 40.800 -0.058 0.000 0.978 393 D HN 0.457 nan 8.370 nan 0.000 0.488 394 S N -1.352 114.154 115.700 -0.324 0.000 2.840 394 S HA 0.676 5.146 4.470 -0.000 0.000 0.307 394 S C -1.292 172.852 174.600 -0.761 0.000 1.180 394 S CA -0.987 56.995 58.200 -0.364 0.000 0.846 394 S CB 1.200 64.346 63.200 -0.090 0.000 1.233 394 S HN -0.077 nan 8.310 nan 0.000 0.548 395 F N 0.662 120.551 119.950 -0.101 0.000 2.553 395 F HA 0.557 5.084 4.527 -0.000 0.000 0.335 395 F C 0.242 176.030 175.800 -0.019 0.000 1.148 395 F CA -0.657 57.267 58.000 -0.127 0.000 0.963 395 F CB 1.725 40.481 39.000 -0.406 0.000 1.217 395 F HN 0.579 nan 8.300 nan 0.000 0.441 396 R N 2.698 123.248 120.500 0.084 0.000 2.234 396 R HA 0.666 5.006 4.340 -0.000 0.000 0.324 396 R C -1.484 174.809 176.300 -0.011 0.000 1.054 396 R CA -0.264 55.847 56.100 0.019 0.000 0.912 396 R CB 0.874 31.155 30.300 -0.032 0.000 1.030 396 R HN 0.528 nan 8.270 nan 0.000 0.455 397 V N 6.128 126.024 119.914 -0.029 0.000 2.289 397 V HA 0.408 4.528 4.120 -0.000 0.000 0.272 397 V C 0.919 176.937 176.094 -0.126 0.000 1.026 397 V CA 0.184 62.375 62.300 -0.182 0.000 0.807 397 V CB 0.397 31.991 31.823 -0.381 0.000 1.044 397 V HN 1.177 nan 8.190 nan 0.000 0.443 398 G N 6.988 115.734 108.800 -0.090 0.000 2.531 398 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.274 398 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.274 398 G C -0.896 173.993 174.900 -0.019 0.000 1.159 398 G CA 0.312 45.397 45.100 -0.026 0.000 0.969 398 G HN 0.549 nan 8.290 nan 0.000 0.554 399 P HA 0.101 nan 4.420 nan 0.000 0.233 399 P C 0.659 177.932 177.300 -0.045 0.000 1.167 399 P CA 0.930 64.023 63.100 -0.012 0.000 0.770 399 P CB 0.135 31.839 31.700 0.007 0.000 0.837 400 Q N 0.687 120.451 119.800 -0.060 0.000 2.260 400 Q HA 0.265 4.605 4.340 -0.000 0.000 0.238 400 Q C -0.567 175.278 176.000 -0.258 0.000 0.948 400 Q CA 0.352 56.032 55.803 -0.205 0.000 0.895 400 Q CB 0.824 29.392 28.738 -0.284 0.000 1.218 400 Q HN -0.034 nan 8.270 nan 0.000 0.470 401 D N 1.177 121.360 120.400 -0.363 0.000 2.476 401 D HA 0.233 4.873 4.640 -0.000 0.000 0.251 401 D C -1.615 174.549 176.300 -0.227 0.000 1.291 401 D CA -0.328 53.544 54.000 -0.214 0.000 0.939 401 D CB 0.209 40.944 40.800 -0.109 0.000 1.221 401 D HN 0.229 nan 8.370 nan 0.000 0.567 402 Y N 1.526 121.894 120.300 0.112 0.000 2.326 402 Y HA 0.326 4.876 4.550 -0.000 0.000 0.337 402 Y C 1.405 177.451 175.900 0.242 0.000 1.023 402 Y CA -0.705 57.505 58.100 0.182 0.000 1.143 402 Y CB 1.304 39.895 38.460 0.219 0.000 1.183 402 Y HN 0.244 nan 8.280 nan 0.000 0.485 403 S N 1.475 117.399 115.700 0.373 0.000 2.661 403 S HA 0.134 4.603 4.470 -0.000 0.000 0.265 403 S C 0.788 175.643 174.600 0.426 0.000 1.225 403 S CA -0.447 57.965 58.200 0.353 0.000 0.986 403 S CB 0.306 63.681 63.200 0.292 0.000 1.008 403 S HN 0.683 nan 8.310 nan 0.000 0.565 404 Y N 1.433 121.837 120.300 0.175 0.000 2.224 404 Y HA -0.102 4.448 4.550 -0.000 0.000 0.289 404 Y C 2.626 178.605 175.900 0.132 0.000 1.146 404 Y CA 1.674 59.835 58.100 0.102 0.000 1.182 404 Y CB -0.135 37.996 38.460 -0.548 0.000 0.983 404 Y HN 0.712 nan 8.280 nan 0.000 0.524 405 E N 0.140 120.513 120.200 0.288 0.000 2.511 405 E HA -0.121 4.228 4.350 -0.000 0.000 0.196 405 E C 0.974 177.718 176.600 0.240 0.000 1.066 405 E CA 0.670 57.225 56.400 0.259 0.000 0.871 405 E CB -0.190 29.657 29.700 0.245 0.000 0.863 405 E HN 0.648 nan 8.360 nan 0.000 0.520 406 Q N -0.983 118.980 119.800 0.271 0.000 2.431 406 Q HA 0.162 4.502 4.340 -0.000 0.000 0.244 406 Q C 1.306 177.423 176.000 0.195 0.000 0.880 406 Q CA 0.048 56.008 55.803 0.262 0.000 0.954 406 Q CB 0.139 29.109 28.738 0.387 0.000 1.105 406 Q HN 0.178 nan 8.270 nan 0.000 0.558 407 F N 1.001 120.957 119.950 0.009 0.000 2.262 407 F HA 0.138 4.665 4.527 -0.000 0.000 0.292 407 F C 0.396 176.053 175.800 -0.237 0.000 1.081 407 F CA 0.051 57.926 58.000 -0.209 0.000 1.355 407 F CB 0.330 39.055 39.000 -0.458 0.000 1.069 407 F HN -0.088 nan 8.300 nan 0.000 0.506 408 L N 1.279 122.411 121.223 -0.152 0.000 2.453 408 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 408 L C -0.016 176.748 176.870 -0.177 0.000 1.182 408 L CA 0.699 55.334 54.840 -0.341 0.000 0.858 408 L CB -0.516 41.442 42.059 -0.167 0.000 1.120 408 L HN 0.356 nan 8.230 nan 0.000 0.474 409 F N 0.167 120.024 119.950 -0.155 0.000 2.935 409 F HA -0.306 4.220 4.527 -0.000 0.000 0.317 409 F C 1.031 176.782 175.800 -0.082 0.000 0.699 409 F CA 0.489 58.441 58.000 -0.081 0.000 1.127 409 F CB -1.759 37.238 39.000 -0.005 0.000 1.491 409 F HN 0.668 nan 8.300 nan 0.000 0.337 410 N N 1.436 120.088 118.700 -0.080 0.000 2.452 410 N HA 0.103 4.843 4.740 -0.000 0.000 0.266 410 N C 1.224 176.678 175.510 -0.094 0.000 1.175 410 N CA 1.103 54.098 53.050 -0.092 0.000 0.945 410 N CB 1.116 39.490 38.487 -0.188 0.000 1.063 410 N HN 0.376 nan 8.380 nan 0.000 0.472 411 T N -0.823 113.715 114.554 -0.027 0.000 3.039 411 T HA -0.056 4.293 4.350 -0.000 0.000 0.250 411 T C 1.838 176.498 174.700 -0.067 0.000 1.052 411 T CA 0.794 62.882 62.100 -0.019 0.000 1.125 411 T CB -0.190 68.681 68.868 0.005 0.000 0.908 411 T HN 0.429 nan 8.240 nan 0.000 0.473 412 S N 1.628 117.286 115.700 -0.070 0.000 2.406 412 S HA 0.050 4.520 4.470 -0.000 0.000 0.224 412 S C 2.183 176.732 174.600 -0.085 0.000 1.030 412 S CA 0.662 58.811 58.200 -0.084 0.000 0.958 412 S CB -0.684 62.477 63.200 -0.064 0.000 0.811 412 S HN 0.422 nan 8.310 nan 0.000 0.489 413 M N 0.928 120.481 119.600 -0.079 0.000 2.113 413 M HA -0.173 4.307 4.480 -0.000 0.000 0.255 413 M C 2.169 178.479 176.300 0.018 0.000 1.073 413 M CA 2.107 57.385 55.300 -0.036 0.000 1.091 413 M CB -0.458 32.072 32.600 -0.118 0.000 1.309 413 M HN 0.466 nan 8.290 nan 0.000 0.407 414 L N 0.067 121.271 121.223 -0.032 0.000 2.043 414 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 414 L C 2.031 178.915 176.870 0.023 0.000 1.075 414 L CA 1.719 56.570 54.840 0.018 0.000 0.752 414 L CB -0.563 41.502 42.059 0.011 0.000 0.891 414 L HN 0.261 nan 8.230 nan 0.000 0.432 415 V N -0.722 119.104 119.914 -0.145 0.000 2.591 415 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 415 V C 2.109 178.139 176.094 -0.106 0.000 1.053 415 V CA 1.504 63.632 62.300 -0.286 0.000 1.068 415 V CB -0.737 30.818 31.823 -0.446 0.000 0.689 415 V HN 0.399 nan 8.190 nan 0.000 0.462 416 D N -0.477 119.875 120.400 -0.080 0.000 2.078 416 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 416 D C 2.038 178.260 176.300 -0.131 0.000 0.990 416 D CA 1.749 55.680 54.000 -0.116 0.000 0.827 416 D CB -0.241 40.473 40.800 -0.143 0.000 0.975 416 D HN 0.520 nan 8.370 nan 0.000 0.451 417 Y N -0.065 120.221 120.300 -0.023 0.000 2.314 417 Y HA 0.240 4.790 4.550 -0.000 0.000 0.294 417 Y C 1.541 177.445 175.900 0.007 0.000 1.119 417 Y CA 0.940 59.033 58.100 -0.011 0.000 1.179 417 Y CB 0.230 38.670 38.460 -0.034 0.000 1.025 417 Y HN 0.079 nan 8.280 nan 0.000 0.541 418 G N -0.701 108.213 108.800 0.190 0.000 2.663 418 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 418 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 418 G C 0.338 175.302 174.900 0.107 0.000 1.288 418 G CA -0.509 44.697 45.100 0.176 0.000 0.836 418 G HN -0.012 nan 8.290 nan 0.000 0.584 419 V N 0.488 120.430 119.914 0.047 0.000 2.270 419 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 419 V C 2.710 178.769 176.094 -0.059 0.000 1.043 419 V CA 3.068 65.345 62.300 -0.039 0.000 1.014 419 V CB -0.872 30.878 31.823 -0.122 0.000 0.645 419 V HN 0.816 nan 8.190 nan 0.000 0.447 420 E N 0.917 121.089 120.200 -0.047 0.000 2.070 420 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 420 E C 2.231 178.806 176.600 -0.041 0.000 1.004 420 E CA 1.762 58.134 56.400 -0.046 0.000 0.805 420 E CB -0.604 29.079 29.700 -0.028 0.000 0.744 420 E HN 0.581 nan 8.360 nan 0.000 0.451 421 A N 0.129 122.942 122.820 -0.011 0.000 2.015 421 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 421 A C 2.117 179.609 177.584 -0.154 0.000 1.163 421 A CA 0.905 52.933 52.037 -0.016 0.000 0.646 421 A CB -0.353 18.720 19.000 0.121 0.000 0.806 421 A HN 0.166 nan 8.150 nan 0.000 0.448 422 L N -1.072 120.037 121.223 -0.190 0.000 2.127 422 L HA -0.060 4.280 4.340 -0.000 0.000 0.203 422 L C 2.465 179.074 176.870 -0.435 0.000 1.080 422 L CA 0.543 55.124 54.840 -0.432 0.000 0.768 422 L CB -0.349 41.539 42.059 -0.286 0.000 0.924 422 L HN 0.210 nan 8.230 nan 0.000 0.444 423 V N 0.246 120.069 119.914 -0.152 0.000 2.332 423 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 423 V C 2.148 178.232 176.094 -0.017 0.000 1.055 423 V CA 2.264 64.544 62.300 -0.034 0.000 1.038 423 V CB -0.455 31.316 31.823 -0.086 0.000 0.651 423 V HN 0.495 nan 8.190 nan 0.000 0.450 424 D N 0.066 120.434 120.400 -0.053 0.000 2.123 424 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 424 D C 2.074 178.372 176.300 -0.002 0.000 0.992 424 D CA 1.571 55.579 54.000 0.013 0.000 0.833 424 D CB -0.125 40.672 40.800 -0.005 0.000 0.954 424 D HN 0.403 nan 8.370 nan 0.000 0.455 425 A N -0.835 121.891 122.820 -0.157 0.000 1.929 425 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 425 A C 1.828 179.386 177.584 -0.044 0.000 1.176 425 A CA 0.742 52.664 52.037 -0.192 0.000 0.628 425 A CB -0.785 17.974 19.000 -0.400 0.000 0.816 425 A HN 0.273 nan 8.150 nan 0.000 0.444 426 F N 0.552 120.570 119.950 0.113 0.000 2.259 426 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 426 F C 2.526 178.450 175.800 0.206 0.000 1.088 426 F CA 0.966 59.090 58.000 0.206 0.000 1.358 426 F CB -0.744 38.433 39.000 0.295 0.000 1.040 426 F HN 0.100 nan 8.300 nan 0.000 0.505 427 S N -0.557 115.344 115.700 0.335 0.000 2.522 427 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 427 S C 1.968 176.761 174.600 0.321 0.000 0.986 427 S CA 0.543 58.927 58.200 0.307 0.000 0.929 427 S CB -0.072 63.273 63.200 0.241 0.000 0.769 427 S HN 0.346 nan 8.310 nan 0.000 0.529 428 R N 0.442 121.069 120.500 0.211 0.000 2.195 428 R HA 0.205 4.545 4.340 -0.000 0.000 0.197 428 R C 0.987 177.343 176.300 0.094 0.000 0.990 428 R CA 0.095 56.251 56.100 0.094 0.000 1.048 428 R CB 0.177 30.484 30.300 0.011 0.000 0.997 428 R HN 0.309 nan 8.270 nan 0.000 0.502 429 Q N 2.691 122.573 119.800 0.137 0.000 2.296 429 Q HA 0.159 4.499 4.340 -0.000 0.000 0.262 429 Q C -2.284 173.799 176.000 0.138 0.000 0.981 429 Q CA -2.229 53.643 55.803 0.115 0.000 0.905 429 Q CB 1.089 29.910 28.738 0.137 0.000 1.186 429 Q HN -0.066 nan 8.270 nan 0.000 0.399 430 P HA 0.095 nan 4.420 nan 0.000 0.275 430 P C -1.353 176.069 177.300 0.205 0.000 1.227 430 P CA -0.078 63.110 63.100 0.147 0.000 0.781 430 P CB 1.136 32.931 31.700 0.157 0.000 0.906 431 A N 3.006 125.927 122.820 0.168 0.000 2.264 431 A HA 0.675 4.995 4.320 -0.000 0.000 0.304 431 A C 0.754 178.421 177.584 0.138 0.000 1.100 431 A CA -0.251 51.892 52.037 0.176 0.000 0.839 431 A CB 0.041 19.097 19.000 0.094 0.000 1.121 431 A HN 0.578 nan 8.150 nan 0.000 0.496 432 G N -0.556 108.299 108.800 0.092 0.000 2.616 432 G HA2 0.460 4.420 3.960 -0.000 0.000 0.268 432 G HA3 0.460 4.420 3.960 -0.000 0.000 0.268 432 G C 0.074 174.845 174.900 -0.216 0.000 1.213 432 G CA -0.654 44.310 45.100 -0.226 0.000 0.926 432 G HN 0.837 nan 8.290 nan 0.000 0.523 433 R N 0.452 120.780 120.500 -0.286 0.000 2.298 433 R HA 0.267 4.606 4.340 -0.000 0.000 0.310 433 R C 1.062 177.256 176.300 -0.177 0.000 1.068 433 R CA -0.490 55.464 56.100 -0.244 0.000 0.957 433 R CB 0.465 30.622 30.300 -0.239 0.000 1.003 433 R HN 0.527 nan 8.270 nan 0.000 0.454 434 I N 2.752 123.210 120.570 -0.186 0.000 2.133 434 I HA -0.069 4.100 4.170 -0.000 0.000 0.238 434 I C 1.557 177.632 176.117 -0.070 0.000 1.074 434 I CA 1.217 62.455 61.300 -0.103 0.000 1.342 434 I CB -0.406 37.501 38.000 -0.154 0.000 1.053 434 I HN 0.687 nan 8.210 nan 0.000 0.404 435 G N -1.052 107.712 108.800 -0.060 0.000 2.580 435 G HA2 0.409 4.368 3.960 -0.000 0.000 0.278 435 G HA3 0.409 4.368 3.960 -0.000 0.000 0.278 435 G C 0.820 175.663 174.900 -0.095 0.000 1.212 435 G CA 0.229 45.293 45.100 -0.061 0.000 0.939 435 G HN 0.597 nan 8.290 nan 0.000 0.513 436 G N -1.716 107.024 108.800 -0.101 0.000 2.284 436 G HA2 0.353 4.313 3.960 -0.000 0.000 0.216 436 G HA3 0.353 4.313 3.960 -0.000 0.000 0.216 436 G C 1.263 176.112 174.900 -0.084 0.000 1.009 436 G CA 0.811 45.854 45.100 -0.096 0.000 0.625 436 G HN 2.856 nan 8.290 nan 0.000 0.501 437 G N -0.411 108.341 108.800 -0.080 0.000 2.758 437 G HA2 0.289 4.249 3.960 -0.000 0.000 0.686 437 G HA3 0.289 4.249 3.960 -0.000 0.000 0.686 437 G C 0.227 175.109 174.900 -0.029 0.000 1.389 437 G CA 0.423 45.493 45.100 -0.049 0.000 0.845 437 G HN 1.671 nan 8.290 nan 0.000 0.572 438 R N -0.853 119.646 120.500 -0.002 0.000 3.251 438 R HA -0.203 4.137 4.340 -0.000 0.000 0.249 438 R C 0.531 176.822 176.300 -0.015 0.000 0.949 438 R CA 0.997 57.092 56.100 -0.007 0.000 0.645 438 R CB -1.134 29.155 30.300 -0.018 0.000 1.065 438 R HN 0.652 nan 8.270 nan 0.000 0.452 439 N N 0.120 118.818 118.700 -0.003 0.000 2.167 439 N HA 0.222 4.962 4.740 -0.000 0.000 0.234 439 N C -0.628 174.915 175.510 0.055 0.000 1.312 439 N CA -0.114 52.930 53.050 -0.010 0.000 0.861 439 N CB 0.799 39.243 38.487 -0.071 0.000 1.217 439 N HN 0.273 nan 8.380 nan 0.000 0.504 440 I N 1.032 121.651 120.570 0.082 0.000 2.315 440 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 440 I C 0.232 176.412 176.117 0.104 0.000 1.006 440 I CA -0.828 60.547 61.300 0.125 0.000 1.265 440 I CB 0.878 38.960 38.000 0.136 0.000 1.387 440 I HN 0.011 nan 8.210 nan 0.000 0.475 441 D N 4.151 124.624 120.400 0.121 0.000 2.472 441 D HA -0.102 4.537 4.640 -0.000 0.000 0.237 441 D C 1.487 177.753 176.300 -0.058 0.000 1.141 441 D CA 0.384 54.415 54.000 0.051 0.000 0.875 441 D CB 0.701 41.526 40.800 0.042 0.000 1.192 441 D HN 0.629 nan 8.370 nan 0.000 0.450 442 H N 1.370 120.388 119.070 -0.087 0.000 2.457 442 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 442 H C 1.330 176.571 175.328 -0.146 0.000 1.092 442 H CA 2.031 57.998 56.048 -0.135 0.000 1.309 442 H CB -0.400 29.244 29.762 -0.197 0.000 1.382 442 H HN 0.616 nan 8.280 nan 0.000 0.535 443 H N 0.931 119.581 119.070 -0.701 0.000 2.267 443 H HA -0.056 4.500 4.556 -0.000 0.000 0.297 443 H C 1.671 176.986 175.328 -0.023 0.000 1.080 443 H CA 2.012 57.796 56.048 -0.439 0.000 1.278 443 H CB -0.048 29.201 29.762 -0.855 0.000 1.365 443 H HN 0.638 nan 8.280 nan 0.000 0.489 444 I N -0.886 119.736 120.570 0.085 0.000 3.874 444 I HA 0.139 4.308 4.170 -0.000 0.000 0.331 444 I C 1.046 177.077 176.117 -0.143 0.000 1.489 444 I CA 0.074 61.400 61.300 0.043 0.000 1.187 444 I CB 0.228 38.287 38.000 0.097 0.000 1.150 444 I HN 0.076 nan 8.210 nan 0.000 0.412 445 L N 2.099 123.318 121.223 -0.008 0.000 2.217 445 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 445 L C 2.833 179.675 176.870 -0.048 0.000 1.107 445 L CA 1.691 56.523 54.840 -0.014 0.000 0.783 445 L CB -0.818 41.270 42.059 0.048 0.000 0.919 445 L HN 0.548 nan 8.230 nan 0.000 0.442 446 H N -2.151 116.915 119.070 -0.006 0.000 2.457 446 H HA -0.098 4.458 4.556 -0.000 0.000 0.297 446 H C 1.868 177.170 175.328 -0.043 0.000 1.092 446 H CA 1.740 57.784 56.048 -0.006 0.000 1.309 446 H CB -1.048 28.723 29.762 0.014 0.000 1.382 446 H HN 0.306 nan 8.280 nan 0.000 0.535 447 V N 1.913 121.417 119.914 -0.684 0.000 2.307 447 V HA -0.201 3.918 4.120 -0.000 0.000 0.245 447 V C 3.250 179.141 176.094 -0.338 0.000 1.045 447 V CA 1.761 63.741 62.300 -0.533 0.000 1.024 447 V CB -1.188 30.175 31.823 -0.766 0.000 0.651 447 V HN 0.640 nan 8.190 nan 0.000 0.449 448 A N -0.033 122.640 122.820 -0.245 0.000 1.972 448 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 448 A C 2.364 179.928 177.584 -0.034 0.000 1.169 448 A CA 1.871 53.870 52.037 -0.063 0.000 0.635 448 A CB -0.623 18.472 19.000 0.159 0.000 0.810 448 A HN 0.361 nan 8.150 nan 0.000 0.446 449 V N 0.608 120.510 119.914 -0.021 0.000 2.343 449 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 449 V C 2.121 178.207 176.094 -0.013 0.000 1.051 449 V CA 2.202 64.514 62.300 0.020 0.000 1.036 449 V CB -0.782 31.070 31.823 0.049 0.000 0.654 449 V HN 0.493 nan 8.190 nan 0.000 0.451 450 D N 0.218 120.586 120.400 -0.054 0.000 2.117 450 D HA -0.120 4.519 4.640 -0.000 0.000 0.197 450 D C 2.236 178.456 176.300 -0.133 0.000 0.987 450 D CA 1.279 55.240 54.000 -0.065 0.000 0.829 450 D CB -0.248 40.519 40.800 -0.054 0.000 0.961 450 D HN 0.329 nan 8.370 nan 0.000 0.460 451 V N 1.499 121.250 119.914 -0.271 0.000 2.332 451 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 451 V C 2.490 178.450 176.094 -0.223 0.000 1.055 451 V CA 1.260 63.302 62.300 -0.430 0.000 1.038 451 V CB -0.386 30.873 31.823 -0.939 0.000 0.651 451 V HN 0.193 nan 8.190 nan 0.000 0.450 452 I N -0.831 119.687 120.570 -0.087 0.000 2.353 452 I HA -0.182 3.987 4.170 -0.000 0.000 0.248 452 I C 2.491 178.635 176.117 0.044 0.000 1.119 452 I CA 1.375 62.705 61.300 0.050 0.000 1.417 452 I CB -0.444 37.634 38.000 0.130 0.000 1.078 452 I HN 0.213 nan 8.210 nan 0.000 0.421 453 K N 0.632 121.042 120.400 0.018 0.000 2.057 453 K HA -0.215 4.104 4.320 -0.000 0.000 0.206 453 K C 2.093 178.703 176.600 0.016 0.000 1.050 453 K CA 1.457 57.759 56.287 0.025 0.000 0.935 453 K CB -0.082 32.431 32.500 0.021 0.000 0.715 453 K HN 0.129 nan 8.250 nan 0.000 0.439 454 E N 0.612 120.803 120.200 -0.016 0.000 2.106 454 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 454 E C 1.949 178.545 176.600 -0.007 0.000 0.984 454 E CA 1.120 57.508 56.400 -0.019 0.000 0.806 454 E CB -0.070 29.593 29.700 -0.061 0.000 0.750 454 E HN 0.102 nan 8.360 nan 0.000 0.458 455 S N -0.378 115.319 115.700 -0.005 0.000 2.383 455 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 455 S C 1.859 176.492 174.600 0.056 0.000 1.030 455 S CA 1.401 59.618 58.200 0.028 0.000 1.002 455 S CB -0.116 63.133 63.200 0.083 0.000 0.829 455 S HN 0.233 nan 8.310 nan 0.000 0.467 456 R N -0.130 120.408 120.500 0.064 0.000 2.153 456 R HA 0.112 4.451 4.340 -0.000 0.000 0.218 456 R C 2.171 178.507 176.300 0.059 0.000 1.072 456 R CA 0.999 57.144 56.100 0.074 0.000 0.990 456 R CB -0.245 30.102 30.300 0.078 0.000 0.889 456 R HN 0.302 nan 8.270 nan 0.000 0.452 457 V N 0.825 120.768 119.914 0.048 0.000 2.379 457 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 457 V C 1.812 177.934 176.094 0.046 0.000 1.044 457 V CA 1.323 63.652 62.300 0.047 0.000 1.036 457 V CB -0.229 31.621 31.823 0.046 0.000 0.664 457 V HN 0.179 nan 8.190 nan 0.000 0.453 458 L N -0.334 120.911 121.223 0.036 0.000 2.376 458 L HA 0.118 4.457 4.340 -0.000 0.000 0.219 458 L C 1.315 178.208 176.870 0.039 0.000 1.133 458 L CA 1.001 55.858 54.840 0.028 0.000 0.816 458 L CB -1.020 41.041 42.059 0.002 0.000 0.933 458 L HN 0.381 nan 8.230 nan 0.000 0.449 459 R N -0.868 119.664 120.500 0.054 0.000 3.261 459 R HA -0.197 4.143 4.340 -0.000 0.000 0.257 459 R C -0.321 176.030 176.300 0.086 0.000 1.014 459 R CA -0.066 56.077 56.100 0.072 0.000 0.681 459 R CB -2.373 27.966 30.300 0.065 0.000 1.155 459 R HN 0.117 nan 8.270 nan 0.000 0.424 460 L N 1.313 122.588 121.223 0.087 0.000 2.485 460 L HA 0.005 4.345 4.340 -0.000 0.000 0.275 460 L C 1.479 178.467 176.870 0.197 0.000 1.207 460 L CA 0.962 55.873 54.840 0.118 0.000 0.855 460 L CB 0.448 42.518 42.059 0.019 0.000 1.114 460 L HN 0.180 nan 8.230 nan 0.000 0.485 461 Q N 4.335 124.297 119.800 0.271 0.000 2.443 461 Q HA 0.202 4.542 4.340 -0.000 0.000 0.232 461 Q C -2.030 174.136 176.000 0.276 0.000 1.026 461 Q CA -1.636 54.256 55.803 0.148 0.000 0.924 461 Q CB 0.267 28.884 28.738 -0.202 0.000 1.256 461 Q HN 0.388 nan 8.270 nan 0.000 0.519 462 P HA -0.113 nan 4.420 nan 0.000 0.269 462 P C 0.060 177.559 177.300 0.332 0.000 1.215 462 P CA 0.154 63.378 63.100 0.208 0.000 0.780 462 P CB 0.412 32.180 31.700 0.113 0.000 0.898 463 F N 2.646 122.698 119.950 0.170 0.000 2.115 463 F HA -0.287 4.240 4.527 -0.000 0.000 0.300 463 F C 1.827 177.725 175.800 0.163 0.000 1.092 463 F CA 2.039 60.146 58.000 0.177 0.000 1.245 463 F CB -0.764 38.242 39.000 0.011 0.000 0.995 463 F HN 0.239 nan 8.300 nan 0.000 0.481 464 N N 0.302 119.065 118.700 0.106 0.000 2.309 464 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 464 N C 1.720 177.175 175.510 -0.091 0.000 1.018 464 N CA 1.159 54.190 53.050 -0.032 0.000 0.876 464 N CB -0.357 38.136 38.487 0.011 0.000 0.972 464 N HN 0.373 nan 8.380 nan 0.000 0.434 465 E N -0.375 119.767 120.200 -0.097 0.000 2.152 465 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 465 E C 1.479 177.944 176.600 -0.225 0.000 0.983 465 E CA 0.589 56.846 56.400 -0.238 0.000 0.818 465 E CB -0.262 29.149 29.700 -0.482 0.000 0.758 465 E HN 0.516 nan 8.360 nan 0.000 0.467 466 Y N 0.682 120.950 120.300 -0.054 0.000 2.395 466 Y HA -0.018 4.532 4.550 -0.000 0.000 0.293 466 Y C 2.398 178.333 175.900 0.058 0.000 1.123 466 Y CA 0.686 58.842 58.100 0.092 0.000 1.227 466 Y CB 0.156 38.760 38.460 0.241 0.000 1.012 466 Y HN -0.077 nan 8.280 nan 0.000 0.552 467 R N 0.511 120.980 120.500 -0.052 0.000 2.081 467 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 467 R C 1.903 178.174 176.300 -0.048 0.000 1.131 467 R CA 1.211 57.227 56.100 -0.140 0.000 0.960 467 R CB -0.358 29.756 30.300 -0.309 0.000 0.856 467 R HN 0.356 nan 8.270 nan 0.000 0.436 468 K N 0.109 120.459 120.400 -0.084 0.000 2.217 468 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 468 K C 2.113 178.660 176.600 -0.089 0.000 1.051 468 K CA 0.677 56.903 56.287 -0.101 0.000 0.952 468 K CB -0.046 32.358 32.500 -0.159 0.000 0.736 468 K HN -0.119 nan 8.250 nan 0.000 0.453 469 R N 0.559 121.005 120.500 -0.090 0.000 2.090 469 R HA -0.039 4.300 4.340 -0.000 0.000 0.228 469 R C 0.827 176.962 176.300 -0.276 0.000 1.110 469 R CA 1.334 57.317 56.100 -0.194 0.000 0.973 469 R CB -0.213 29.933 30.300 -0.258 0.000 0.869 469 R HN 0.038 nan 8.270 nan 0.000 0.440 470 F N -0.201 119.728 119.950 -0.036 0.000 2.730 470 F HA 0.324 4.851 4.527 -0.001 0.000 0.295 470 F C 1.242 177.031 175.800 -0.019 0.000 1.143 470 F CA 0.275 58.258 58.000 -0.028 0.000 1.367 470 F CB 0.607 39.593 39.000 -0.023 0.000 0.970 470 F HN 0.263 nan 8.300 nan 0.000 0.514 471 G N 0.846 109.697 108.800 0.085 0.000 2.198 471 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.260 471 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.260 471 G C 0.136 175.069 174.900 0.056 0.000 1.025 471 G CA 0.096 45.241 45.100 0.075 0.000 0.769 471 G HN 0.350 nan 8.290 nan 0.000 0.507 472 M N -0.319 119.296 119.600 0.025 0.000 2.654 472 M HA 0.677 5.157 4.480 -0.000 0.000 0.310 472 M C 0.617 176.868 176.300 -0.083 0.000 1.211 472 M CA -0.235 55.043 55.300 -0.037 0.000 0.947 472 M CB 1.440 33.990 32.600 -0.084 0.000 1.647 472 M HN 0.248 nan 8.290 nan 0.000 0.481 473 K N 1.985 122.312 120.400 -0.121 0.000 2.249 473 K HA 0.506 4.826 4.320 -0.000 0.000 0.280 473 K C -2.772 173.683 176.600 -0.241 0.000 1.033 473 K CA -1.643 54.561 56.287 -0.139 0.000 0.946 473 K CB -0.819 31.615 32.500 -0.111 0.000 1.005 473 K HN 0.437 nan 8.250 nan 0.000 0.469 474 P HA 0.092 nan 4.420 nan 0.000 0.272 474 P C -0.907 176.290 177.300 -0.170 0.000 1.223 474 P CA -0.145 62.846 63.100 -0.183 0.000 0.784 474 P CB 0.170 31.816 31.700 -0.090 0.000 0.923 475 Y N 0.471 120.754 120.300 -0.029 0.000 2.465 475 Y HA 0.011 4.561 4.550 -0.000 0.000 0.331 475 Y C 2.217 178.073 175.900 -0.074 0.000 1.102 475 Y CA 0.195 58.267 58.100 -0.047 0.000 1.358 475 Y CB 0.438 38.864 38.460 -0.057 0.000 1.213 475 Y HN 0.407 nan 8.280 nan 0.000 0.525 476 T N -2.025 112.605 114.554 0.125 0.000 3.043 476 T HA 0.047 4.397 4.350 -0.000 0.000 0.263 476 T C 0.475 175.196 174.700 0.034 0.000 1.094 476 T CA 0.542 62.676 62.100 0.057 0.000 1.127 476 T CB -0.043 68.857 68.868 0.053 0.000 0.905 476 T HN 0.490 nan 8.240 nan 0.000 0.490 477 S N -0.990 114.725 115.700 0.024 0.000 2.618 477 S HA 0.623 5.093 4.470 -0.000 0.000 0.277 477 S C -0.085 174.452 174.600 -0.105 0.000 1.138 477 S CA -0.973 57.232 58.200 0.008 0.000 0.844 477 S CB 0.681 63.921 63.200 0.067 0.000 1.127 477 S HN -0.046 nan 8.310 nan 0.000 0.474 478 F N 1.292 121.206 119.950 -0.060 0.000 2.325 478 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 478 F C 2.831 178.535 175.800 -0.160 0.000 1.090 478 F CA 1.039 58.961 58.000 -0.129 0.000 1.392 478 F CB -0.232 38.711 39.000 -0.094 0.000 1.053 478 F HN 0.563 nan 8.300 nan 0.000 0.521 479 Q N 0.269 120.109 119.800 0.066 0.000 2.061 479 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 479 Q C 2.138 178.091 176.000 -0.079 0.000 0.984 479 Q CA 1.654 57.456 55.803 -0.001 0.000 0.846 479 Q CB -0.624 28.127 28.738 0.022 0.000 0.902 479 Q HN 0.536 nan 8.270 nan 0.000 0.421 480 E N 0.552 120.696 120.200 -0.094 0.000 2.204 480 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 480 E C 2.062 178.404 176.600 -0.430 0.000 0.989 480 E CA 0.320 56.658 56.400 -0.103 0.000 0.824 480 E CB 0.061 29.819 29.700 0.096 0.000 0.756 480 E HN 0.168 nan 8.360 nan 0.000 0.477 481 L N 0.528 121.290 121.223 -0.768 0.000 1.988 481 L HA -0.148 4.191 4.340 -0.000 0.000 0.207 481 L C 2.576 179.139 176.870 -0.513 0.000 1.071 481 L CA 2.566 56.745 54.840 -1.102 0.000 0.744 481 L CB -0.757 40.772 42.059 -0.883 0.000 0.893 481 L HN 0.174 nan 8.230 nan 0.000 0.433 482 T N -3.724 110.642 114.554 -0.314 0.000 3.054 482 T HA 0.229 4.579 4.350 -0.000 0.000 0.259 482 T C 1.521 176.140 174.700 -0.136 0.000 1.092 482 T CA 0.448 62.430 62.100 -0.197 0.000 1.121 482 T CB -0.344 68.440 68.868 -0.139 0.000 0.912 482 T HN 0.791 nan 8.240 nan 0.000 0.489 483 G N 1.734 110.461 108.800 -0.122 0.000 2.143 483 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.248 483 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.248 483 G C -0.214 174.656 174.900 -0.049 0.000 0.991 483 G CA 0.519 45.575 45.100 -0.073 0.000 0.689 483 G HN 1.033 nan 8.290 nan 0.000 0.522 484 E N -3.255 116.917 120.200 -0.047 0.000 2.459 484 E HA 0.860 5.210 4.350 -0.000 0.000 0.275 484 E C 0.732 177.322 176.600 -0.016 0.000 0.987 484 E CA 0.039 56.422 56.400 -0.028 0.000 0.828 484 E CB 0.079 29.762 29.700 -0.028 0.000 1.428 484 E HN 0.603 nan 8.360 nan 0.000 0.457 485 K N 0.327 120.722 120.400 -0.008 0.000 2.190 485 K HA 0.124 4.444 4.320 -0.000 0.000 0.202 485 K C 1.790 178.393 176.600 0.005 0.000 1.045 485 K CA 1.248 57.535 56.287 0.000 0.000 0.976 485 K CB -0.820 31.681 32.500 0.001 0.000 0.849 485 K HN 0.612 nan 8.250 nan 0.000 0.468 486 E N -0.203 120.001 120.200 0.007 0.000 2.001 486 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 486 E C 2.504 179.128 176.600 0.039 0.000 0.994 486 E CA 1.880 58.290 56.400 0.017 0.000 0.815 486 E CB -0.205 29.503 29.700 0.013 0.000 0.770 486 E HN 0.386 nan 8.360 nan 0.000 0.453 487 M N 0.626 120.259 119.600 0.056 0.000 2.279 487 M HA 0.068 4.548 4.480 -0.000 0.000 0.264 487 M C 2.352 178.681 176.300 0.048 0.000 1.062 487 M CA 2.200 57.574 55.300 0.124 0.000 1.099 487 M CB -1.474 31.207 32.600 0.136 0.000 1.394 487 M HN 0.361 nan 8.290 nan 0.000 0.426 488 A N 0.257 123.079 122.820 0.003 0.000 1.897 488 A HA 0.343 4.663 4.320 -0.000 0.000 0.215 488 A C 2.672 180.221 177.584 -0.057 0.000 1.181 488 A CA 1.890 53.922 52.037 -0.007 0.000 0.620 488 A CB -1.129 17.884 19.000 0.021 0.000 0.821 488 A HN 1.260 nan 8.150 nan 0.000 0.443 489 A N -0.513 122.286 122.820 -0.034 0.000 2.015 489 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 489 A C 1.968 179.503 177.584 -0.083 0.000 1.163 489 A CA 1.648 53.649 52.037 -0.060 0.000 0.646 489 A CB -0.422 18.567 19.000 -0.018 0.000 0.806 489 A HN 0.653 nan 8.150 nan 0.000 0.448 490 E N -0.268 119.924 120.200 -0.014 0.000 2.107 490 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 490 E C 1.804 178.401 176.600 -0.005 0.000 0.982 490 E CA 0.712 57.151 56.400 0.065 0.000 0.809 490 E CB -0.121 29.723 29.700 0.241 0.000 0.756 490 E HN 0.651 nan 8.360 nan 0.000 0.459 491 L N 0.911 122.025 121.223 -0.181 0.000 2.156 491 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 491 L C 2.653 179.100 176.870 -0.705 0.000 1.095 491 L CA 0.700 55.338 54.840 -0.336 0.000 0.770 491 L CB -0.265 41.615 42.059 -0.299 0.000 0.914 491 L HN 0.132 nan 8.230 nan 0.000 0.439 492 E N 0.591 120.169 120.200 -1.037 0.000 2.110 492 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 492 E C 1.945 178.312 176.600 -0.388 0.000 0.988 492 E CA 1.333 57.097 56.400 -1.059 0.000 0.804 492 E CB 0.157 29.511 29.700 -0.577 0.000 0.745 492 E HN 0.513 nan 8.360 nan 0.000 0.458 493 E N -0.254 119.808 120.200 -0.230 0.000 2.152 493 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 493 E C 2.263 178.824 176.600 -0.065 0.000 0.983 493 E CA 0.402 56.745 56.400 -0.095 0.000 0.818 493 E CB 0.146 29.819 29.700 -0.045 0.000 0.758 493 E HN 0.231 nan 8.360 nan 0.000 0.467 494 L N -0.869 120.308 121.223 -0.076 0.000 2.202 494 L HA -0.039 4.300 4.340 -0.000 0.000 0.205 494 L C 1.806 178.596 176.870 -0.134 0.000 1.083 494 L CA 0.628 55.419 54.840 -0.082 0.000 0.790 494 L CB -0.114 41.916 42.059 -0.048 0.000 0.942 494 L HN 0.162 nan 8.230 nan 0.000 0.452 495 Y N -0.682 119.602 120.300 -0.026 0.000 2.436 495 Y HA 0.122 4.672 4.550 -0.000 0.000 0.288 495 Y C 2.055 178.017 175.900 0.103 0.000 1.112 495 Y CA 0.802 58.953 58.100 0.085 0.000 1.220 495 Y CB 0.518 39.121 38.460 0.239 0.000 1.073 495 Y HN 0.236 nan 8.280 nan 0.000 0.552 496 G N -0.419 108.499 108.800 0.197 0.000 2.812 496 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 496 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 496 G C -0.006 175.036 174.900 0.237 0.000 1.275 496 G CA 0.358 45.551 45.100 0.157 0.000 0.769 496 G HN 0.344 nan 8.290 nan 0.000 0.527 497 D N -0.489 120.110 120.400 0.332 0.000 2.738 497 D HA 0.535 5.174 4.640 -0.000 0.000 0.237 497 D C 1.094 177.572 176.300 0.296 0.000 1.123 497 D CA -0.439 53.742 54.000 0.301 0.000 0.856 497 D CB 2.012 42.916 40.800 0.173 0.000 1.552 497 D HN 0.109 nan 8.370 nan 0.000 0.480 498 I N 2.023 122.631 120.570 0.063 0.000 2.394 498 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 498 I C 1.066 177.061 176.117 -0.202 0.000 1.136 498 I CA 1.347 62.378 61.300 -0.449 0.000 1.425 498 I CB 0.019 37.703 38.000 -0.527 0.000 1.079 498 I HN 0.313 nan 8.210 nan 0.000 0.425 499 D N 0.712 121.090 120.400 -0.036 0.000 2.358 499 D HA 0.082 4.722 4.640 -0.000 0.000 0.241 499 D C 1.506 177.839 176.300 0.054 0.000 1.094 499 D CA 0.883 54.895 54.000 0.021 0.000 0.907 499 D CB 0.105 40.939 40.800 0.056 0.000 0.893 499 D HN 0.499 nan 8.370 nan 0.000 0.528 500 A N 0.008 122.849 122.820 0.035 0.000 2.469 500 A HA 0.164 4.484 4.320 -0.000 0.000 0.245 500 A C 0.727 178.258 177.584 -0.088 0.000 1.221 500 A CA -0.395 51.693 52.037 0.084 0.000 0.946 500 A CB 0.239 19.361 19.000 0.203 0.000 1.049 500 A HN 0.190 nan 8.150 nan 0.000 0.529 501 L N 1.538 122.568 121.223 -0.320 0.000 2.499 501 L HA 0.196 4.536 4.340 -0.000 0.000 0.273 501 L C 0.200 176.921 176.870 -0.248 0.000 1.195 501 L CA 0.370 54.804 54.840 -0.677 0.000 0.882 501 L CB 0.160 41.888 42.059 -0.552 0.000 1.133 501 L HN 0.371 nan 8.230 nan 0.000 0.483 502 E N 3.436 123.503 120.200 -0.222 0.000 2.374 502 E HA 0.015 4.365 4.350 -0.000 0.000 0.260 502 E C 0.342 177.046 176.600 0.172 0.000 1.101 502 E CA -0.115 56.357 56.400 0.119 0.000 0.907 502 E CB 0.707 30.556 29.700 0.247 0.000 1.014 502 E HN 0.687 nan 8.360 nan 0.000 0.427 503 F N 1.559 121.605 119.950 0.160 0.000 2.046 503 F HA -0.300 4.227 4.527 -0.001 0.000 0.297 503 F C 2.001 177.910 175.800 0.181 0.000 1.123 503 F CA 1.715 59.838 58.000 0.206 0.000 1.199 503 F CB -0.230 38.782 39.000 0.020 0.000 0.972 503 F HN 0.617 nan 8.300 nan 0.000 0.474 504 Y N 1.087 121.416 120.300 0.050 0.000 2.220 504 Y HA 0.047 4.597 4.550 -0.000 0.000 0.291 504 Y C -0.875 174.946 175.900 -0.131 0.000 1.129 504 Y CA 0.983 59.039 58.100 -0.074 0.000 1.161 504 Y CB -1.775 36.727 38.460 0.069 0.000 0.997 504 Y HN 0.048 nan 8.280 nan 0.000 0.522 505 P HA -0.130 nan 4.420 nan 0.000 0.214 505 P C 1.795 178.817 177.300 -0.463 0.000 1.163 505 P CA 2.494 65.451 63.100 -0.238 0.000 0.883 505 P CB -0.484 31.186 31.700 -0.051 0.000 0.788 506 G N -0.059 108.341 108.800 -0.667 0.000 2.505 506 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.220 506 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.220 506 G C 1.571 175.817 174.900 -1.089 0.000 1.145 506 G CA 0.784 45.091 45.100 -1.323 0.000 0.761 506 G HN 0.217 nan 8.290 nan 0.000 0.571 507 L N -0.375 120.439 121.223 -0.681 0.000 2.046 507 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 507 L C 2.856 179.521 176.870 -0.342 0.000 1.077 507 L CA 0.781 55.416 54.840 -0.342 0.000 0.747 507 L CB -0.219 41.626 42.059 -0.356 0.000 0.896 507 L HN 0.199 nan 8.230 nan 0.000 0.432 508 L N -1.081 119.879 121.223 -0.438 0.000 2.341 508 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 508 L C 2.107 178.824 176.870 -0.255 0.000 1.115 508 L CA 0.504 55.142 54.840 -0.338 0.000 0.820 508 L CB 0.014 41.820 42.059 -0.422 0.000 0.944 508 L HN 0.287 nan 8.230 nan 0.000 0.452 509 L N -0.742 120.298 121.223 -0.307 0.000 2.446 509 L HA 0.030 4.370 4.340 -0.000 0.000 0.219 509 L C 1.186 177.904 176.870 -0.253 0.000 1.116 509 L CA 0.021 54.706 54.840 -0.259 0.000 0.844 509 L CB 0.013 41.890 42.059 -0.303 0.000 0.970 509 L HN 0.174 nan 8.230 nan 0.000 0.457 510 E N 2.554 122.591 120.200 -0.272 0.000 2.414 510 E HA -0.014 4.336 4.350 -0.000 0.000 0.263 510 E C -0.064 176.445 176.600 -0.152 0.000 1.000 510 E CA -0.354 55.920 56.400 -0.211 0.000 0.914 510 E CB 0.626 30.264 29.700 -0.104 0.000 0.948 510 E HN 0.135 nan 8.360 nan 0.000 0.444 511 K N 2.653 122.965 120.400 -0.147 0.000 2.485 511 K HA 0.043 4.362 4.320 -0.000 0.000 0.277 511 K C -0.544 175.980 176.600 -0.127 0.000 0.990 511 K CA -0.565 55.650 56.287 -0.121 0.000 0.994 511 K CB 0.274 32.710 32.500 -0.107 0.000 0.906 511 K HN 0.313 nan 8.250 nan 0.000 0.488 512 C N 2.308 121.542 119.300 -0.111 0.000 2.563 512 C HA 0.151 4.611 4.460 -0.000 0.000 0.358 512 C C 0.686 175.589 174.990 -0.145 0.000 1.336 512 C CA -0.618 58.334 59.018 -0.110 0.000 2.454 512 C CB -0.536 27.154 27.740 -0.084 0.000 2.448 512 C HN 0.785 nan 8.230 nan 0.000 0.670 513 H N 0.826 119.842 119.070 -0.091 0.000 2.771 513 H HA 0.170 4.726 4.556 -0.000 0.000 0.364 513 H C -2.035 173.268 175.328 -0.041 0.000 1.133 513 H CA -0.290 55.682 56.048 -0.127 0.000 1.423 513 H CB -0.036 29.523 29.762 -0.339 0.000 1.425 513 H HN 0.422 nan 8.280 nan 0.000 0.606 514 P HA -0.168 nan 4.420 nan 0.000 0.249 514 P C -0.707 176.648 177.300 0.090 0.000 1.140 514 P CA 0.836 64.013 63.100 0.129 0.000 0.803 514 P CB -0.324 31.500 31.700 0.206 0.000 0.745 515 N N -0.054 118.662 118.700 0.026 0.000 2.727 515 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 515 N C -0.505 174.974 175.510 -0.051 0.000 1.040 515 N CA 0.815 53.852 53.050 -0.022 0.000 0.712 515 N CB -1.346 37.128 38.487 -0.022 0.000 0.912 515 N HN 0.283 nan 8.380 nan 0.000 0.545 516 S N -0.533 115.129 115.700 -0.065 0.000 2.671 516 S HA 0.526 4.996 4.470 -0.000 0.000 0.299 516 S C 1.075 175.515 174.600 -0.267 0.000 1.116 516 S CA -0.866 57.252 58.200 -0.137 0.000 0.912 516 S CB 1.983 65.177 63.200 -0.011 0.000 1.130 516 S HN 0.283 nan 8.310 nan 0.000 0.501 517 I N 0.541 120.807 120.570 -0.507 0.000 2.876 517 I HA 0.192 4.362 4.170 -0.000 0.000 0.264 517 I C -0.556 175.194 176.117 -0.612 0.000 1.204 517 I CA 0.823 61.718 61.300 -0.675 0.000 1.485 517 I CB 0.040 37.463 38.000 -0.962 0.000 1.103 517 I HN 0.633 nan 8.210 nan 0.000 0.446 518 F N -2.186 117.640 119.950 -0.206 0.000 2.985 518 F HA 0.682 5.209 4.527 -0.001 0.000 0.322 518 F C 0.319 176.038 175.800 -0.136 0.000 1.187 518 F CA -1.104 56.778 58.000 -0.198 0.000 0.910 518 F CB -0.156 38.684 39.000 -0.267 0.000 1.411 518 F HN -0.286 nan 8.300 nan 0.000 0.492 519 G N -0.413 108.484 108.800 0.163 0.000 2.543 519 G HA2 0.325 4.285 3.960 -0.000 0.000 0.290 519 G HA3 0.325 4.285 3.960 -0.000 0.000 0.290 519 G C 0.098 174.996 174.900 -0.003 0.000 1.310 519 G CA -0.430 44.650 45.100 -0.033 0.000 1.025 519 G HN 0.846 nan 8.290 nan 0.000 0.502 520 E N -0.602 119.507 120.200 -0.152 0.000 2.070 520 E HA -0.159 4.190 4.350 -0.000 0.000 0.197 520 E C 2.826 179.456 176.600 0.051 0.000 1.004 520 E CA 1.637 58.053 56.400 0.027 0.000 0.805 520 E CB -0.084 29.609 29.700 -0.011 0.000 0.744 520 E HN 0.371 nan 8.360 nan 0.000 0.451 521 S N 0.617 116.325 115.700 0.015 0.000 2.383 521 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 521 S C 1.832 176.353 174.600 -0.132 0.000 1.030 521 S CA 1.188 59.364 58.200 -0.041 0.000 1.002 521 S CB -0.167 63.083 63.200 0.084 0.000 0.829 521 S HN 0.178 nan 8.310 nan 0.000 0.467 522 M N 1.160 120.638 119.600 -0.202 0.000 2.175 522 M HA 0.071 4.550 4.480 -0.000 0.000 0.264 522 M C 1.581 177.675 176.300 -0.345 0.000 1.063 522 M CA 1.396 56.435 55.300 -0.434 0.000 1.119 522 M CB -0.410 31.563 32.600 -1.045 0.000 1.377 522 M HN 0.273 nan 8.290 nan 0.000 0.415 523 I N -0.927 119.561 120.570 -0.137 0.000 2.235 523 I HA -0.178 3.992 4.170 -0.000 0.000 0.241 523 I C 2.051 178.198 176.117 0.050 0.000 1.085 523 I CA 0.801 62.136 61.300 0.058 0.000 1.378 523 I CB -0.594 37.565 38.000 0.265 0.000 1.076 523 I HN 0.165 nan 8.210 nan 0.000 0.415 524 E N 0.546 120.764 120.200 0.030 0.000 2.268 524 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 524 E C 2.097 178.604 176.600 -0.154 0.000 0.995 524 E CA 1.237 57.647 56.400 0.017 0.000 0.836 524 E CB 0.011 29.737 29.700 0.043 0.000 0.763 524 E HN 0.570 nan 8.360 nan 0.000 0.491 525 M N -1.146 118.240 119.600 -0.358 0.000 2.657 525 M HA 0.123 4.603 4.480 -0.000 0.000 0.262 525 M C 2.262 178.349 176.300 -0.354 0.000 1.213 525 M CA 0.832 55.610 55.300 -0.870 0.000 1.182 525 M CB 0.059 32.194 32.600 -0.775 0.000 1.303 525 M HN 0.034 nan 8.290 nan 0.000 0.501 526 G N 0.447 109.229 108.800 -0.030 0.000 2.394 526 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.215 526 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.215 526 G C 1.626 176.636 174.900 0.184 0.000 1.165 526 G CA 0.919 46.168 45.100 0.248 0.000 0.784 526 G HN 0.462 nan 8.290 nan 0.000 0.535 527 A N 1.754 124.641 122.820 0.112 0.000 1.883 527 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 527 A C 0.752 178.373 177.584 0.062 0.000 1.186 527 A CA 2.032 54.144 52.037 0.126 0.000 0.624 527 A CB -1.251 17.832 19.000 0.139 0.000 0.822 527 A HN 0.363 nan 8.150 nan 0.000 0.444 528 P HA -0.172 nan 4.420 nan 0.000 0.215 528 P C 1.189 178.399 177.300 -0.149 0.000 1.157 528 P CA 1.299 64.364 63.100 -0.059 0.000 0.874 528 P CB -0.232 31.453 31.700 -0.026 0.000 0.790 529 F N -0.870 118.977 119.950 -0.173 0.000 2.102 529 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 529 F C 2.774 178.246 175.800 -0.546 0.000 1.105 529 F CA 1.410 59.088 58.000 -0.538 0.000 1.239 529 F CB -0.971 37.259 39.000 -1.282 0.000 0.991 529 F HN -0.058 nan 8.300 nan 0.000 0.474 530 S N 0.677 116.286 115.700 -0.152 0.000 2.343 530 S HA -0.149 4.321 4.470 -0.000 0.000 0.219 530 S C 2.030 176.713 174.600 0.139 0.000 1.033 530 S CA 1.275 59.557 58.200 0.137 0.000 1.014 530 S CB -0.550 62.873 63.200 0.373 0.000 0.915 530 S HN 0.270 nan 8.310 nan 0.000 0.435 531 L N 1.062 122.365 121.223 0.133 0.000 2.083 531 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 531 L C 2.622 179.589 176.870 0.162 0.000 1.083 531 L CA 1.447 56.376 54.840 0.147 0.000 0.752 531 L CB -0.515 41.629 42.059 0.142 0.000 0.899 531 L HN 0.290 nan 8.230 nan 0.000 0.433 532 K N 0.911 121.387 120.400 0.126 0.000 2.097 532 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 532 K C 1.947 178.614 176.600 0.111 0.000 1.049 532 K CA 1.586 57.954 56.287 0.134 0.000 0.933 532 K CB -0.675 31.835 32.500 0.016 0.000 0.717 532 K HN 0.203 nan 8.250 nan 0.000 0.442 533 G N 0.529 109.356 108.800 0.045 0.000 2.402 533 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.216 533 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.216 533 G C 1.243 176.179 174.900 0.061 0.000 1.162 533 G CA 0.560 45.655 45.100 -0.010 0.000 0.777 533 G HN 0.179 nan 8.290 nan 0.000 0.539 534 L N 0.396 121.691 121.223 0.120 0.000 2.007 534 L HA 0.127 4.467 4.340 -0.000 0.000 0.205 534 L C 2.744 179.731 176.870 0.194 0.000 1.073 534 L CA 0.994 55.921 54.840 0.145 0.000 0.744 534 L CB -1.190 40.947 42.059 0.130 0.000 0.898 534 L HN 0.122 nan 8.230 nan 0.000 0.435 535 L N -0.362 120.993 121.223 0.221 0.000 2.478 535 L HA 0.015 4.354 4.340 -0.000 0.000 0.223 535 L C 2.344 179.458 176.870 0.406 0.000 1.140 535 L CA 1.151 56.132 54.840 0.235 0.000 0.842 535 L CB -1.734 40.332 42.059 0.012 0.000 0.953 535 L HN 0.308 nan 8.230 nan 0.000 0.452 536 G N -0.514 108.523 108.800 0.394 0.000 2.484 536 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 536 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 536 G C 0.970 176.067 174.900 0.327 0.000 1.130 536 G CA -0.219 45.104 45.100 0.370 0.000 0.784 536 G HN 0.344 nan 8.290 nan 0.000 0.543 537 N N 1.367 120.223 118.700 0.261 0.000 2.292 537 N HA -0.017 4.723 4.740 -0.000 0.000 0.258 537 N C -1.003 174.625 175.510 0.196 0.000 1.261 537 N CA -0.826 52.346 53.050 0.202 0.000 0.845 537 N CB 1.706 40.317 38.487 0.207 0.000 1.064 537 N HN 0.010 nan 8.380 nan 0.000 0.471 538 P HA -0.166 nan 4.420 nan 0.000 0.219 538 P C 1.508 178.637 177.300 -0.285 0.000 1.146 538 P CA 1.209 64.153 63.100 -0.260 0.000 0.808 538 P CB -0.132 31.267 31.700 -0.501 0.000 0.779 539 I N -3.044 117.598 120.570 0.119 0.000 2.567 539 I HA -0.137 4.033 4.170 -0.000 0.000 0.257 539 I C 1.663 178.103 176.117 0.539 0.000 1.184 539 I CA 1.423 63.006 61.300 0.473 0.000 1.451 539 I CB -1.253 37.129 38.000 0.637 0.000 1.089 539 I HN -0.153 nan 8.210 nan 0.000 0.441 540 C N 1.469 120.933 119.300 0.273 0.000 2.562 540 C HA 0.167 4.627 4.460 -0.000 0.000 0.266 540 C C 1.845 176.734 174.990 -0.169 0.000 1.382 540 C CA 0.221 59.305 59.018 0.111 0.000 1.742 540 C CB -1.811 26.067 27.740 0.230 0.000 1.812 540 C HN 0.716 nan 8.230 nan 0.000 0.559 541 S N 1.903 117.286 115.700 -0.528 0.000 2.593 541 S HA 0.182 4.652 4.470 -0.000 0.000 0.269 541 S C -1.675 172.785 174.600 -0.234 0.000 1.334 541 S CA -0.551 57.063 58.200 -0.976 0.000 1.015 541 S CB 0.595 63.335 63.200 -0.768 0.000 0.912 541 S HN 0.069 nan 8.310 nan 0.000 0.541 542 P HA -0.093 nan 4.420 nan 0.000 0.218 542 P C 1.380 178.607 177.300 -0.121 0.000 1.148 542 P CA 1.196 63.960 63.100 -0.559 0.000 0.822 542 P CB 0.054 31.344 31.700 -0.683 0.000 0.784 543 E N -1.332 118.855 120.200 -0.022 0.000 2.106 543 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 543 E C 1.612 178.340 176.600 0.214 0.000 0.984 543 E CA 1.542 58.008 56.400 0.110 0.000 0.806 543 E CB -0.779 29.034 29.700 0.188 0.000 0.750 543 E HN 0.368 nan 8.360 nan 0.000 0.458 544 Y N -2.044 118.263 120.300 0.011 0.000 2.479 544 Y HA 0.062 4.611 4.550 -0.000 0.000 0.283 544 Y C 0.935 176.934 175.900 0.165 0.000 1.109 544 Y CA -0.353 57.774 58.100 0.044 0.000 1.239 544 Y CB 0.152 38.656 38.460 0.074 0.000 1.108 544 Y HN 0.103 nan 8.280 nan 0.000 0.548 545 W N 4.448 125.906 121.300 0.263 0.000 1.303 545 W HA 0.129 4.789 4.660 -0.000 0.000 0.478 545 W C -0.836 175.829 176.519 0.242 0.000 0.604 545 W CA 0.453 58.035 57.345 0.394 0.000 2.319 545 W CB -0.537 29.225 29.460 0.503 0.000 1.443 545 W HN 0.034 nan 8.180 nan 0.000 0.249 546 K N 0.665 120.965 120.400 -0.168 0.000 2.395 546 K HA 0.484 4.803 4.320 -0.000 0.000 0.247 546 K C 0.639 176.736 176.600 -0.838 0.000 0.973 546 K CA -0.451 55.590 56.287 -0.411 0.000 0.828 546 K CB 1.705 34.081 32.500 -0.207 0.000 1.272 546 K HN -0.048 nan 8.250 nan 0.000 0.439 547 A N 0.810 123.135 122.820 -0.824 0.000 1.969 547 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 547 A C 2.027 179.454 177.584 -0.262 0.000 1.169 547 A CA 2.124 53.754 52.037 -0.679 0.000 0.635 547 A CB -0.720 18.110 19.000 -0.284 0.000 0.810 547 A HN 0.773 nan 8.150 nan 0.000 0.445 548 S N -0.590 114.982 115.700 -0.213 0.000 2.419 548 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 548 S C 1.740 176.236 174.600 -0.174 0.000 1.016 548 S CA 1.781 59.908 58.200 -0.122 0.000 0.974 548 S CB -1.188 61.945 63.200 -0.112 0.000 0.786 548 S HN 0.504 nan 8.310 nan 0.000 0.492 549 T N 1.346 115.695 114.554 -0.342 0.000 2.833 549 T HA 0.041 4.391 4.350 -0.000 0.000 0.269 549 T C 0.651 174.987 174.700 -0.607 0.000 1.054 549 T CA 1.176 62.930 62.100 -0.577 0.000 1.135 549 T CB -0.474 67.867 68.868 -0.878 0.000 0.869 549 T HN 0.595 nan 8.240 nan 0.000 0.466 550 F N 0.620 120.515 119.950 -0.092 0.000 2.647 550 F HA 0.480 5.007 4.527 -0.000 0.000 0.300 550 F C 1.421 177.283 175.800 0.103 0.000 1.106 550 F CA -0.690 57.324 58.000 0.022 0.000 1.313 550 F CB 0.025 39.053 39.000 0.046 0.000 1.007 550 F HN 0.172 nan 8.300 nan 0.000 0.536 551 G N 0.987 109.929 108.800 0.237 0.000 2.422 551 G HA2 0.206 4.166 3.960 -0.000 0.000 0.290 551 G HA3 0.206 4.166 3.960 -0.000 0.000 0.290 551 G C 0.596 175.645 174.900 0.248 0.000 1.059 551 G CA 0.070 45.340 45.100 0.284 0.000 1.242 551 G HN 1.154 nan 8.290 nan 0.000 0.520 552 G N -0.139 108.754 108.800 0.156 0.000 2.741 552 G HA2 0.066 4.025 3.960 -0.000 0.000 0.222 552 G HA3 0.066 4.025 3.960 -0.000 0.000 0.222 552 G C 0.552 175.516 174.900 0.107 0.000 1.364 552 G CA 0.733 45.898 45.100 0.109 0.000 0.866 552 G HN 1.300 nan 8.290 nan 0.000 0.555 553 E N -1.024 119.229 120.200 0.089 0.000 2.150 553 E HA 0.032 4.381 4.350 -0.000 0.000 0.193 553 E C 2.764 179.437 176.600 0.122 0.000 0.985 553 E CA 1.736 58.212 56.400 0.125 0.000 0.814 553 E CB -0.152 29.598 29.700 0.084 0.000 0.752 553 E HN 0.583 nan 8.360 nan 0.000 0.466 554 V N -0.132 119.827 119.914 0.075 0.000 2.287 554 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 554 V C 2.250 178.396 176.094 0.086 0.000 1.053 554 V CA 2.045 64.376 62.300 0.052 0.000 1.027 554 V CB -1.010 30.816 31.823 0.006 0.000 0.646 554 V HN 0.491 nan 8.190 nan 0.000 0.447 555 G N -1.558 107.327 108.800 0.141 0.000 2.443 555 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 555 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 555 G C 1.494 176.481 174.900 0.145 0.000 1.131 555 G CA 0.489 45.700 45.100 0.186 0.000 0.775 555 G HN 0.420 nan 8.290 nan 0.000 0.547 556 F N 2.196 122.097 119.950 -0.083 0.000 2.163 556 F HA 0.047 4.574 4.527 -0.000 0.000 0.297 556 F C 2.282 177.948 175.800 -0.222 0.000 1.094 556 F CA 0.616 58.443 58.000 -0.288 0.000 1.290 556 F CB -0.271 38.617 39.000 -0.186 0.000 1.017 556 F HN 0.074 nan 8.300 nan 0.000 0.483 557 N N 0.536 119.226 118.700 -0.018 0.000 2.244 557 N HA -0.150 4.590 4.740 -0.000 0.000 0.183 557 N C 2.128 177.610 175.510 -0.047 0.000 1.016 557 N CA 0.903 53.910 53.050 -0.070 0.000 0.866 557 N CB -0.611 37.865 38.487 -0.018 0.000 0.980 557 N HN 0.315 nan 8.380 nan 0.000 0.430 558 L N 0.524 121.740 121.223 -0.012 0.000 2.079 558 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 558 L C 2.202 179.084 176.870 0.020 0.000 1.081 558 L CA 0.861 55.711 54.840 0.017 0.000 0.752 558 L CB -0.216 41.873 42.059 0.051 0.000 0.896 558 L HN -0.036 nan 8.230 nan 0.000 0.433 559 V N -0.586 119.303 119.914 -0.043 0.000 2.283 559 V HA -0.261 3.858 4.120 -0.000 0.000 0.243 559 V C 2.355 178.497 176.094 0.079 0.000 1.039 559 V CA 1.687 63.995 62.300 0.014 0.000 1.016 559 V CB -0.437 31.308 31.823 -0.130 0.000 0.650 559 V HN 0.388 nan 8.190 nan 0.000 0.449 560 K N 0.393 120.766 120.400 -0.044 0.000 2.147 560 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 560 K C 1.747 178.369 176.600 0.036 0.000 1.049 560 K CA 1.843 58.123 56.287 -0.011 0.000 0.936 560 K CB -0.257 32.137 32.500 -0.176 0.000 0.722 560 K HN 0.690 nan 8.250 nan 0.000 0.446 561 T N -2.466 112.100 114.554 0.020 0.000 3.129 561 T HA 0.391 4.740 4.350 -0.000 0.000 0.267 561 T C 0.355 175.079 174.700 0.040 0.000 1.018 561 T CA -0.527 61.589 62.100 0.026 0.000 0.903 561 T CB 0.424 69.294 68.868 0.003 0.000 1.067 561 T HN 0.065 nan 8.240 nan 0.000 0.549 562 A N 1.797 124.657 122.820 0.068 0.000 2.498 562 A HA 0.571 4.891 4.320 -0.000 0.000 0.239 562 A C 0.449 178.075 177.584 0.070 0.000 1.068 562 A CA -0.095 51.987 52.037 0.076 0.000 0.766 562 A CB -0.052 19.023 19.000 0.125 0.000 1.003 562 A HN 0.547 nan 8.150 nan 0.000 0.497 563 T N 1.632 116.209 114.554 0.038 0.000 2.843 563 T HA 0.386 4.736 4.350 -0.000 0.000 0.302 563 T C 1.114 175.802 174.700 -0.020 0.000 1.232 563 T CA -0.733 61.377 62.100 0.017 0.000 1.009 563 T CB 1.153 70.014 68.868 -0.012 0.000 1.254 563 T HN 0.466 nan 8.240 nan 0.000 0.504 564 L N 0.951 122.139 121.223 -0.058 0.000 2.017 564 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 564 L C 2.739 179.506 176.870 -0.171 0.000 1.073 564 L CA 1.658 56.416 54.840 -0.135 0.000 0.745 564 L CB -0.301 41.551 42.059 -0.344 0.000 0.894 564 L HN 0.747 nan 8.230 nan 0.000 0.432 565 K N 0.069 120.363 120.400 -0.177 0.000 2.074 565 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 565 K C 2.102 178.625 176.600 -0.128 0.000 1.048 565 K CA 1.692 57.878 56.287 -0.168 0.000 0.926 565 K CB 0.016 32.427 32.500 -0.148 0.000 0.713 565 K HN 0.277 nan 8.250 nan 0.000 0.444 566 K N 0.312 120.653 120.400 -0.098 0.000 2.155 566 K HA -0.114 4.205 4.320 -0.000 0.000 0.203 566 K C 2.040 178.577 176.600 -0.104 0.000 1.052 566 K CA 0.629 56.868 56.287 -0.081 0.000 0.948 566 K CB -0.038 32.434 32.500 -0.047 0.000 0.728 566 K HN 0.087 nan 8.250 nan 0.000 0.448 567 L N 0.490 121.631 121.223 -0.137 0.000 2.156 567 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 567 L C 1.745 178.475 176.870 -0.233 0.000 1.095 567 L CA 1.330 56.042 54.840 -0.212 0.000 0.770 567 L CB 0.074 41.950 42.059 -0.306 0.000 0.914 567 L HN -0.135 nan 8.230 nan 0.000 0.439 568 V N -1.981 117.811 119.914 -0.204 0.000 2.341 568 V HA -0.184 3.936 4.120 -0.000 0.000 0.240 568 V C 2.385 178.386 176.094 -0.155 0.000 1.035 568 V CA 1.499 63.679 62.300 -0.200 0.000 1.033 568 V CB -0.406 31.297 31.823 -0.199 0.000 0.678 568 V HN 0.503 nan 8.190 nan 0.000 0.464 569 c N -0.013 118.508 118.600 -0.130 0.000 2.446 569 c HA 0.030 4.600 4.570 -0.000 0.000 0.279 569 c C 2.362 176.399 174.090 -0.088 0.000 1.366 569 c CA 0.213 56.481 56.329 -0.102 0.000 1.763 569 c CB -1.034 41.422 42.510 -0.089 0.000 1.929 569 c HN 0.455 nan 8.230 nan 0.000 0.509 570 L N 1.441 122.610 121.223 -0.090 0.000 2.610 570 L HA 0.067 4.407 4.340 -0.000 0.000 0.232 570 L C 1.541 178.361 176.870 -0.083 0.000 1.149 570 L CA 1.436 56.231 54.840 -0.075 0.000 0.872 570 L CB -0.606 41.415 42.059 -0.064 0.000 0.992 570 L HN 0.400 nan 8.230 nan 0.000 0.447 571 N N -1.951 116.686 118.700 -0.105 0.000 2.159 571 N HA 0.122 4.862 4.740 -0.000 0.000 0.217 571 N C 0.321 175.756 175.510 -0.125 0.000 1.223 571 N CA 0.404 53.383 53.050 -0.117 0.000 0.896 571 N CB 0.972 39.375 38.487 -0.140 0.000 1.064 571 N HN 0.286 nan 8.380 nan 0.000 0.518 572 T N -2.210 112.277 114.554 -0.110 0.000 2.932 572 T HA 0.434 4.784 4.350 -0.000 0.000 0.289 572 T C 1.159 175.815 174.700 -0.074 0.000 1.039 572 T CA -0.669 61.370 62.100 -0.101 0.000 1.024 572 T CB 2.558 71.364 68.868 -0.103 0.000 1.090 572 T HN -0.322 nan 8.240 nan 0.000 0.496 573 K N 1.092 121.456 120.400 -0.061 0.000 1.984 573 K HA 0.035 4.355 4.320 -0.000 0.000 0.209 573 K C 1.445 178.023 176.600 -0.037 0.000 1.046 573 K CA 1.563 57.824 56.287 -0.043 0.000 0.934 573 K CB -0.783 31.698 32.500 -0.031 0.000 0.717 573 K HN 0.910 nan 8.250 nan 0.000 0.438 574 T N -2.145 112.388 114.554 -0.035 0.000 2.948 574 T HA 0.315 4.665 4.350 -0.000 0.000 0.285 574 T C -0.073 174.604 174.700 -0.039 0.000 1.019 574 T CA -1.011 61.071 62.100 -0.030 0.000 1.013 574 T CB 1.823 70.680 68.868 -0.018 0.000 1.117 574 T HN 0.187 nan 8.240 nan 0.000 0.533 575 c N 4.098 122.677 118.600 -0.035 0.000 2.258 575 c HA 0.646 5.216 4.570 -0.000 0.000 0.321 575 c C -1.820 172.252 174.090 -0.029 0.000 1.168 575 c CA -1.386 54.917 56.329 -0.044 0.000 1.531 575 c CB -0.831 41.652 42.510 -0.045 0.000 2.095 575 c HN 0.869 nan 8.230 nan 0.000 0.449 576 P HA 0.195 nan 4.420 nan 0.000 0.302 576 P C -1.244 176.065 177.300 0.015 0.000 1.307 576 P CA -0.456 62.643 63.100 -0.001 0.000 0.754 576 P CB 0.449 32.140 31.700 -0.015 0.000 1.298 577 Y N 0.240 120.505 120.300 -0.058 0.000 2.436 577 Y HA 0.371 4.921 4.550 -0.000 0.000 0.336 577 Y C -0.454 175.398 175.900 -0.080 0.000 1.049 577 Y CA -0.013 58.048 58.100 -0.064 0.000 1.294 577 Y CB 0.202 38.631 38.460 -0.051 0.000 1.179 577 Y HN 0.130 nan 8.280 nan 0.000 0.520 578 V N 6.709 126.209 119.914 -0.690 0.000 2.569 578 V HA 0.766 4.886 4.120 -0.000 0.000 0.301 578 V C -1.246 174.394 176.094 -0.756 0.000 1.044 578 V CA 0.094 62.064 62.300 -0.549 0.000 0.874 578 V CB 1.516 33.144 31.823 -0.325 0.000 1.002 578 V HN 0.857 nan 8.190 nan 0.000 0.424 579 S N 4.233 119.539 115.700 -0.656 0.000 2.611 579 S HA 0.495 4.965 4.470 -0.000 0.000 0.270 579 S C -0.340 174.029 174.600 -0.385 0.000 1.131 579 S CA -0.400 57.417 58.200 -0.638 0.000 0.826 579 S CB 1.308 63.975 63.200 -0.888 0.000 1.095 579 S HN 0.617 nan 8.310 nan 0.000 0.461 580 F N 1.463 121.353 119.950 -0.100 0.000 2.797 580 F HA 0.203 4.730 4.527 -0.000 0.000 0.302 580 F C 1.001 176.847 175.800 0.077 0.000 1.130 580 F CA 0.139 58.190 58.000 0.085 0.000 1.387 580 F CB 0.175 39.273 39.000 0.163 0.000 1.107 580 F HN 0.643 nan 8.300 nan 0.000 0.577 581 H N -2.140 117.049 119.070 0.200 0.000 2.747 581 H HA 0.534 5.090 4.556 -0.000 0.000 0.371 581 H C -0.567 174.882 175.328 0.203 0.000 1.161 581 H CA -1.856 54.272 56.048 0.135 0.000 1.167 581 H CB 0.484 30.284 29.762 0.063 0.000 1.732 581 H HN -0.156 nan 8.280 nan 0.000 0.544 582 V N -0.101 120.000 119.914 0.311 0.000 2.740 582 V HA 0.295 4.414 4.120 -0.000 0.000 0.303 582 V C -2.219 174.024 176.094 0.249 0.000 1.054 582 V CA -1.758 60.678 62.300 0.226 0.000 1.106 582 V CB 0.206 32.100 31.823 0.119 0.000 0.957 582 V HN 0.854 nan 8.190 nan 0.000 0.486 583 P HA 0.452 nan 4.420 nan 0.000 0.280 583 P C -0.885 176.377 177.300 -0.062 0.000 1.300 583 P CA 0.417 63.439 63.100 -0.130 0.000 0.785 583 P CB 1.080 32.352 31.700 -0.714 0.000 0.874 584 D N 0.000 120.403 120.400 0.005 0.000 6.856 584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 584 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 584 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683