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 1diy_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 0.000 177.318 177.300 0.030 0.000 1.155 32 P CA 0.000 63.122 63.100 0.037 0.000 0.800 32 P CB 0.000 31.726 31.700 0.044 0.000 0.726 33 V N -0.125 119.812 119.914 0.038 0.000 2.479 33 V HA 0.337 4.457 4.120 -0.000 0.000 0.281 33 V C 0.608 176.703 176.094 0.002 0.000 1.031 33 V CA -0.485 61.818 62.300 0.004 0.000 1.038 33 V CB 0.756 32.581 31.823 0.003 0.000 0.981 33 V HN 0.670 nan 8.190 nan 0.000 0.478 34 N N 8.425 127.097 118.700 -0.047 0.000 2.355 34 N HA 0.047 4.787 4.740 -0.000 0.000 0.282 34 N C -0.640 174.817 175.510 -0.088 0.000 1.374 34 N CA -0.960 52.058 53.050 -0.053 0.000 0.929 34 N CB 0.520 38.958 38.487 -0.082 0.000 1.278 34 N HN 0.595 nan 8.380 nan 0.000 0.491 35 P HA -0.226 nan 4.420 nan 0.000 0.218 35 P C 0.715 177.915 177.300 -0.167 0.000 1.154 35 P CA 1.231 64.340 63.100 0.015 0.000 0.872 35 P CB -0.128 31.559 31.700 -0.021 0.000 0.790 36 c N -0.973 117.502 118.600 -0.209 0.000 2.434 36 c HA -0.049 4.521 4.570 -0.000 0.000 0.298 36 c C 2.802 176.663 174.090 -0.382 0.000 1.495 36 c CA 0.277 56.465 56.329 -0.234 0.000 1.756 36 c CB -2.670 39.773 42.510 -0.113 0.000 1.647 36 c HN 0.374 nan 8.230 nan 0.000 0.579 37 c N -1.059 117.260 118.600 -0.468 0.000 2.539 37 c HA 0.008 4.578 4.570 -0.000 0.000 0.268 37 c C 1.999 175.532 174.090 -0.929 0.000 1.395 37 c CA 0.487 56.386 56.329 -0.715 0.000 1.757 37 c CB -1.368 40.755 42.510 -0.646 0.000 1.851 37 c HN 0.730 nan 8.230 nan 0.000 0.545 38 Y N -2.300 117.717 120.300 -0.472 0.000 2.478 38 Y HA 0.182 4.732 4.550 -0.000 0.000 0.261 38 Y C 0.440 176.242 175.900 -0.163 0.000 1.127 38 Y CA -0.080 57.841 58.100 -0.297 0.000 1.288 38 Y CB -0.199 38.151 38.460 -0.184 0.000 1.084 38 Y HN 0.175 nan 8.280 nan 0.000 0.530 39 Y N -0.928 119.365 120.300 -0.013 0.000 3.091 39 Y HA -0.191 4.359 4.550 0.000 0.000 0.189 39 Y C -1.611 174.266 175.900 -0.038 0.000 1.520 39 Y CA -0.662 57.410 58.100 -0.046 0.000 1.121 39 Y CB -2.064 36.370 38.460 -0.043 0.000 1.411 39 Y HN 0.185 nan 8.280 nan 0.000 0.459 40 P HA -0.114 nan 4.420 nan 0.000 0.215 40 P C 0.575 177.927 177.300 0.086 0.000 1.157 40 P CA 1.324 64.445 63.100 0.034 0.000 0.863 40 P CB 0.115 31.751 31.700 -0.107 0.000 0.787 41 c N 2.354 121.019 118.600 0.109 0.000 2.642 41 c HA 0.234 4.804 4.570 -0.000 0.000 0.420 41 c C 0.776 174.854 174.090 -0.019 0.000 1.349 41 c CA -0.379 56.002 56.329 0.086 0.000 1.821 41 c CB -0.763 41.816 42.510 0.115 0.000 2.637 41 c HN 0.324 nan 8.230 nan 0.000 0.605 42 Q N 1.123 120.862 119.800 -0.101 0.000 2.359 42 Q HA 0.327 4.667 4.340 -0.000 0.000 0.275 42 Q C 0.217 176.020 176.000 -0.328 0.000 1.082 42 Q CA -0.527 55.080 55.803 -0.327 0.000 0.849 42 Q CB 0.929 29.345 28.738 -0.536 0.000 1.377 42 Q HN 0.905 nan 8.270 nan 0.000 0.452 43 H N 0.927 119.873 119.070 -0.207 0.000 2.839 43 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 43 H C -0.398 174.876 175.328 -0.089 0.000 1.224 43 H CA 1.087 57.009 56.048 -0.211 0.000 1.144 43 H CB -1.406 28.096 29.762 -0.432 0.000 1.372 43 H HN 0.804 nan 8.280 nan 0.000 0.408 44 Q N -3.110 116.686 119.800 -0.007 0.000 2.504 44 Q HA -0.125 4.215 4.340 -0.000 0.000 0.269 44 Q C 0.747 176.780 176.000 0.056 0.000 0.970 44 Q CA 0.934 56.745 55.803 0.013 0.000 1.064 44 Q CB -1.424 27.322 28.738 0.013 0.000 1.355 44 Q HN 0.705 nan 8.270 nan 0.000 0.557 45 G N 0.630 109.464 108.800 0.057 0.000 2.355 45 G HA2 0.489 4.449 3.960 -0.000 0.000 0.276 45 G HA3 0.489 4.449 3.960 -0.000 0.000 0.276 45 G C -0.062 174.898 174.900 0.101 0.000 1.198 45 G CA -0.554 44.600 45.100 0.089 0.000 0.876 45 G HN 0.086 nan 8.290 nan 0.000 0.478 46 I N 1.739 122.384 120.570 0.125 0.000 2.517 46 I HA 0.045 4.215 4.170 -0.000 0.000 0.285 46 I C 0.851 177.065 176.117 0.162 0.000 1.106 46 I CA -0.562 60.825 61.300 0.144 0.000 1.402 46 I CB 0.883 38.985 38.000 0.170 0.000 1.399 46 I HN 0.344 nan 8.210 nan 0.000 0.535 47 c N 7.763 126.450 118.600 0.146 0.000 2.394 47 c HA 0.622 5.192 4.570 -0.000 0.000 0.362 47 c C 0.032 174.238 174.090 0.193 0.000 1.268 47 c CA -0.281 56.160 56.329 0.188 0.000 1.828 47 c CB -0.861 41.718 42.510 0.114 0.000 2.442 47 c HN 0.529 nan 8.230 nan 0.000 0.549 48 V N 7.815 127.902 119.914 0.288 0.000 2.588 48 V HA 0.479 4.599 4.120 -0.000 0.000 0.304 48 V C 0.071 176.349 176.094 0.307 0.000 1.042 48 V CA -0.651 61.800 62.300 0.252 0.000 0.877 48 V CB 1.707 33.710 31.823 0.300 0.000 0.996 48 V HN 0.799 nan 8.190 nan 0.000 0.425 49 R N 3.031 123.603 120.500 0.120 0.000 2.347 49 R HA 0.446 4.786 4.340 -0.000 0.000 0.304 49 R C -1.420 174.843 176.300 -0.061 0.000 1.072 49 R CA 0.113 56.282 56.100 0.114 0.000 0.980 49 R CB 0.464 30.790 30.300 0.043 0.000 0.986 49 R HN 0.546 nan 8.270 nan 0.000 0.448 50 F N 1.971 121.971 119.950 0.083 0.000 2.477 50 F HA 0.386 4.913 4.527 0.000 0.000 0.335 50 F C 0.948 176.775 175.800 0.045 0.000 1.130 50 F CA 0.187 58.216 58.000 0.049 0.000 0.948 50 F CB 2.079 41.096 39.000 0.028 0.000 1.154 50 F HN 0.823 nan 8.300 nan 0.000 0.439 51 G N 2.823 111.697 108.800 0.124 0.000 2.750 51 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.228 51 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.228 51 G C 0.557 175.501 174.900 0.074 0.000 1.367 51 G CA -0.279 44.880 45.100 0.097 0.000 0.871 51 G HN 0.659 nan 8.290 nan 0.000 0.560 52 L N 0.208 121.469 121.223 0.065 0.000 2.156 52 L HA 0.138 4.478 4.340 -0.000 0.000 0.208 52 L C 2.221 179.133 176.870 0.069 0.000 1.095 52 L CA 2.135 57.008 54.840 0.055 0.000 0.770 52 L CB -0.339 41.747 42.059 0.045 0.000 0.914 52 L HN 0.790 nan 8.230 nan 0.000 0.439 53 D N -1.863 118.590 120.400 0.087 0.000 2.525 53 D HA 0.055 4.695 4.640 -0.000 0.000 0.231 53 D C 0.759 177.148 176.300 0.149 0.000 1.216 53 D CA -0.268 53.794 54.000 0.103 0.000 0.813 53 D CB 0.356 41.206 40.800 0.083 0.000 1.108 53 D HN 0.125 nan 8.370 nan 0.000 0.524 54 R N -0.217 120.385 120.500 0.169 0.000 2.705 54 R HA 0.686 5.026 4.340 -0.000 0.000 0.246 54 R C -0.802 175.700 176.300 0.336 0.000 1.142 54 R CA -0.929 55.300 56.100 0.215 0.000 1.114 54 R CB 0.783 31.155 30.300 0.119 0.000 1.256 54 R HN 0.174 nan 8.270 nan 0.000 0.536 55 Y N -2.403 117.984 120.300 0.145 0.000 2.624 55 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 55 Y C -1.768 174.215 175.900 0.138 0.000 1.155 55 Y CA -1.174 57.043 58.100 0.195 0.000 1.046 55 Y CB 1.718 40.261 38.460 0.139 0.000 1.316 55 Y HN 0.409 nan 8.280 nan 0.000 0.457 56 Q N 1.959 121.840 119.800 0.135 0.000 2.347 56 Q HA 0.622 4.962 4.340 -0.000 0.000 0.271 56 Q C -1.651 174.426 176.000 0.128 0.000 1.064 56 Q CA -0.932 54.812 55.803 -0.098 0.000 0.800 56 Q CB 2.863 31.412 28.738 -0.316 0.000 1.304 56 Q HN 0.872 nan 8.270 nan 0.000 0.438 57 c N 1.468 120.106 118.600 0.063 0.000 2.307 57 c HA 0.264 4.834 4.570 -0.000 0.000 0.340 57 c C 0.160 174.304 174.090 0.091 0.000 1.275 57 c CA -0.471 55.941 56.329 0.139 0.000 1.811 57 c CB 0.245 42.844 42.510 0.149 0.000 2.372 57 c HN 0.754 nan 8.230 nan 0.000 0.531 58 D N 1.599 122.070 120.400 0.118 0.000 2.564 58 D HA 0.228 4.868 4.640 -0.000 0.000 0.226 58 D C 0.753 177.112 176.300 0.098 0.000 1.149 58 D CA -0.258 53.801 54.000 0.099 0.000 0.994 58 D CB 0.028 40.901 40.800 0.120 0.000 1.029 58 D HN 0.648 nan 8.370 nan 0.000 0.517 59 c N 1.416 120.071 118.600 0.093 0.000 2.460 59 c HA -0.027 4.543 4.570 -0.000 0.000 0.291 59 c C 1.006 175.160 174.090 0.106 0.000 1.493 59 c CA -0.044 56.352 56.329 0.113 0.000 1.748 59 c CB -2.047 40.539 42.510 0.127 0.000 1.656 59 c HN 0.468 nan 8.230 nan 0.000 0.576 60 T N 1.816 116.419 114.554 0.083 0.000 2.777 60 T HA -0.048 4.302 4.350 -0.000 0.000 0.273 60 T C 0.951 175.694 174.700 0.072 0.000 1.016 60 T CA 0.573 62.715 62.100 0.069 0.000 1.156 60 T CB -0.034 68.868 68.868 0.058 0.000 1.019 60 T HN 0.647 nan 8.240 nan 0.000 0.503 61 R N 0.240 120.778 120.500 0.063 0.000 3.722 61 R HA -0.219 4.121 4.340 -0.000 0.000 0.284 61 R C 1.343 177.691 176.300 0.079 0.000 1.165 61 R CA 1.150 57.285 56.100 0.058 0.000 0.779 61 R CB -2.626 27.697 30.300 0.039 0.000 1.179 61 R HN 0.915 nan 8.270 nan 0.000 0.491 62 T N -4.555 110.072 114.554 0.122 0.000 3.044 62 T HA 0.309 4.659 4.350 -0.000 0.000 0.250 62 T C 1.515 176.367 174.700 0.254 0.000 1.081 62 T CA 0.617 62.830 62.100 0.188 0.000 1.040 62 T CB 1.034 70.043 68.868 0.234 0.000 0.962 62 T HN 0.624 nan 8.240 nan 0.000 0.506 63 G N 0.417 109.294 108.800 0.128 0.000 2.195 63 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 63 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 63 G C -0.178 174.584 174.900 -0.230 0.000 0.984 63 G CA 0.144 45.215 45.100 -0.049 0.000 0.633 63 G HN 0.604 nan 8.290 nan 0.000 0.525 64 Y N 0.815 121.129 120.300 0.023 0.000 2.621 64 Y HA 0.752 5.302 4.550 -0.000 0.000 0.334 64 Y C 0.667 176.601 175.900 0.058 0.000 1.074 64 Y CA -0.545 57.584 58.100 0.047 0.000 1.149 64 Y CB 2.106 40.625 38.460 0.098 0.000 1.302 64 Y HN 0.566 nan 8.280 nan 0.000 0.501 65 S N -0.400 115.429 115.700 0.215 0.000 2.661 65 S HA 0.961 5.431 4.470 -0.000 0.000 0.285 65 S C -0.353 174.319 174.600 0.121 0.000 1.138 65 S CA -0.273 58.003 58.200 0.126 0.000 0.855 65 S CB 1.901 65.140 63.200 0.065 0.000 1.136 65 S HN 1.774 nan 8.310 nan 0.000 0.484 66 G N 0.794 109.636 108.800 0.071 0.000 2.423 66 G HA2 0.154 4.114 3.960 -0.000 0.000 0.684 66 G HA3 0.154 4.114 3.960 -0.000 0.000 0.684 66 G C -2.577 172.343 174.900 0.033 0.000 1.309 66 G CA -0.228 44.903 45.100 0.052 0.000 0.950 66 G HN 0.633 nan 8.290 nan 0.000 0.587 67 P HA -0.061 nan 4.420 nan 0.000 0.216 67 P C 1.016 178.332 177.300 0.026 0.000 1.157 67 P CA 1.850 64.937 63.100 -0.022 0.000 0.880 67 P CB 0.050 31.736 31.700 -0.023 0.000 0.791 68 N N -2.863 115.879 118.700 0.070 0.000 2.351 68 N HA 0.121 4.861 4.740 -0.000 0.000 0.254 68 N C -0.751 174.805 175.510 0.076 0.000 1.241 68 N CA -0.066 53.047 53.050 0.104 0.000 0.883 68 N CB -0.227 38.331 38.487 0.118 0.000 1.202 68 N HN 0.044 nan 8.380 nan 0.000 0.512 69 c N 0.854 119.516 118.600 0.103 0.000 4.058 69 c HA -0.094 4.476 4.570 -0.000 0.000 0.307 69 c C 0.959 175.160 174.090 0.184 0.000 1.247 69 c CA 0.577 57.005 56.329 0.165 0.000 2.165 69 c CB -3.173 39.425 42.510 0.148 0.000 1.350 69 c HN 0.571 nan 8.230 nan 0.000 0.648 70 T N -3.350 111.326 114.554 0.204 0.000 3.487 70 T HA 0.577 4.927 4.350 -0.000 0.000 0.287 70 T C -0.215 174.660 174.700 0.292 0.000 1.004 70 T CA -0.146 62.090 62.100 0.227 0.000 0.977 70 T CB 0.028 68.959 68.868 0.105 0.000 1.180 70 T HN 0.649 nan 8.240 nan 0.000 0.490 71 I N 3.203 123.985 120.570 0.355 0.000 2.641 71 I HA 0.294 4.464 4.170 -0.000 0.000 0.275 71 I C -2.499 173.707 176.117 0.148 0.000 1.129 71 I CA -2.503 58.925 61.300 0.213 0.000 1.094 71 I CB 1.988 40.055 38.000 0.111 0.000 1.232 71 I HN -0.019 nan 8.210 nan 0.000 0.503 72 P HA -0.031 nan 4.420 nan 0.000 0.260 72 P C -0.095 177.101 177.300 -0.173 0.000 1.172 72 P CA 0.525 63.446 63.100 -0.299 0.000 0.760 72 P CB 0.704 32.366 31.700 -0.062 0.000 0.773 73 E N 2.278 122.335 120.200 -0.238 0.000 2.410 73 E HA -0.002 4.348 4.350 -0.000 0.000 0.255 73 E C 1.554 178.104 176.600 -0.083 0.000 1.194 73 E CA -0.781 55.553 56.400 -0.111 0.000 0.955 73 E CB 0.319 29.985 29.700 -0.058 0.000 0.988 73 E HN 0.342 nan 8.360 nan 0.000 0.461 74 I N 0.512 120.998 120.570 -0.139 0.000 2.113 74 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 74 I C 1.577 177.566 176.117 -0.213 0.000 1.064 74 I CA 1.846 62.984 61.300 -0.269 0.000 1.320 74 I CB -0.580 37.117 38.000 -0.506 0.000 1.028 74 I HN 0.699 nan 8.210 nan 0.000 0.406 75 W N 0.441 121.763 121.300 0.036 0.000 2.418 75 W HA -0.123 4.537 4.660 -0.000 0.000 0.292 75 W C 2.611 179.122 176.519 -0.012 0.000 1.213 75 W CA 1.200 58.562 57.345 0.028 0.000 1.283 75 W CB -1.078 28.378 29.460 -0.006 0.000 1.119 75 W HN 0.008 nan 8.180 nan 0.000 0.542 76 T N -0.261 114.355 114.554 0.103 0.000 2.720 76 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 76 T C 1.186 175.855 174.700 -0.051 0.000 1.037 76 T CA 1.695 63.745 62.100 -0.084 0.000 1.144 76 T CB -0.808 67.802 68.868 -0.430 0.000 0.864 76 T HN 0.353 nan 8.240 nan 0.000 0.444 77 W N 1.724 122.929 121.300 -0.158 0.000 2.335 77 W HA -0.084 4.576 4.660 -0.000 0.000 0.311 77 W C 1.747 178.231 176.519 -0.059 0.000 1.213 77 W CA 0.911 58.190 57.345 -0.110 0.000 1.274 77 W CB -0.609 28.773 29.460 -0.129 0.000 1.148 77 W HN 0.164 nan 8.180 nan 0.000 0.498 78 L N 0.566 121.757 121.223 -0.053 0.000 1.976 78 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 78 L C 3.095 179.831 176.870 -0.224 0.000 1.071 78 L CA 2.413 57.111 54.840 -0.236 0.000 0.746 78 L CB -1.753 40.363 42.059 0.096 0.000 0.890 78 L HN 0.073 nan 8.230 nan 0.000 0.432 79 R N 0.433 120.898 120.500 -0.058 0.000 2.112 79 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 79 R C 2.199 178.434 176.300 -0.108 0.000 1.137 79 R CA 2.536 58.607 56.100 -0.049 0.000 0.944 79 R CB -2.506 27.795 30.300 0.002 0.000 0.857 79 R HN 0.657 nan 8.270 nan 0.000 0.435 80 T N -1.431 113.040 114.554 -0.138 0.000 2.962 80 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 80 T C 2.045 176.620 174.700 -0.208 0.000 1.088 80 T CA 1.761 63.785 62.100 -0.126 0.000 1.127 80 T CB -0.552 68.278 68.868 -0.064 0.000 0.883 80 T HN 0.703 nan 8.240 nan 0.000 0.493 81 T N -0.736 113.590 114.554 -0.380 0.000 3.081 81 T HA 0.298 4.648 4.350 -0.000 0.000 0.255 81 T C 1.627 176.166 174.700 -0.268 0.000 1.113 81 T CA -0.031 61.828 62.100 -0.402 0.000 1.082 81 T CB -0.328 68.109 68.868 -0.719 0.000 0.939 81 T HN 0.375 nan 8.240 nan 0.000 0.506 82 L N -0.169 120.928 121.223 -0.210 0.000 2.638 82 L HA 0.396 4.736 4.340 -0.000 0.000 0.232 82 L C 1.802 178.626 176.870 -0.075 0.000 1.099 82 L CA -0.364 54.398 54.840 -0.129 0.000 0.883 82 L CB -0.063 41.937 42.059 -0.099 0.000 1.136 82 L HN 0.259 nan 8.230 nan 0.000 0.492 83 R N 2.840 123.301 120.500 -0.065 0.000 2.296 83 R HA 0.375 4.715 4.340 -0.000 0.000 0.323 83 R C -2.289 174.006 176.300 -0.009 0.000 1.067 83 R CA -1.321 54.769 56.100 -0.018 0.000 0.946 83 R CB -1.496 28.799 30.300 -0.007 0.000 0.991 83 R HN 0.032 nan 8.270 nan 0.000 0.448 84 P HA 0.086 nan 4.420 nan 0.000 0.270 84 P C -0.137 177.223 177.300 0.100 0.000 1.223 84 P CA -0.164 62.973 63.100 0.062 0.000 0.785 84 P CB 0.936 32.802 31.700 0.278 0.000 0.923 85 S N 1.113 116.867 115.700 0.090 0.000 2.579 85 S HA 0.140 4.610 4.470 -0.000 0.000 0.275 85 S C -1.676 173.021 174.600 0.162 0.000 1.345 85 S CA -0.747 57.509 58.200 0.093 0.000 1.031 85 S CB 0.195 63.431 63.200 0.060 0.000 0.892 85 S HN 0.241 nan 8.310 nan 0.000 0.529 86 P HA -0.064 nan 4.420 nan 0.000 0.216 86 P C 1.573 178.965 177.300 0.152 0.000 1.150 86 P CA 1.388 64.568 63.100 0.134 0.000 0.837 86 P CB -0.159 31.608 31.700 0.111 0.000 0.786 87 S N -0.746 115.031 115.700 0.129 0.000 2.372 87 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 87 S C 1.711 176.409 174.600 0.163 0.000 1.044 87 S CA 1.466 59.726 58.200 0.100 0.000 1.050 87 S CB -1.513 61.736 63.200 0.081 0.000 0.901 87 S HN 0.189 nan 8.310 nan 0.000 0.447 88 F N 2.304 122.280 119.950 0.044 0.000 2.084 88 F HA -0.104 4.423 4.527 -0.000 0.000 0.296 88 F C 2.061 177.953 175.800 0.153 0.000 1.111 88 F CA 1.238 59.274 58.000 0.060 0.000 1.224 88 F CB -0.174 38.828 39.000 0.003 0.000 0.991 88 F HN 0.053 nan 8.300 nan 0.000 0.471 89 I N 0.382 120.956 120.570 0.006 0.000 2.163 89 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 89 I C 2.403 178.478 176.117 -0.069 0.000 1.085 89 I CA 2.090 63.336 61.300 -0.089 0.000 1.347 89 I CB -1.794 36.231 38.000 0.041 0.000 1.044 89 I HN 0.318 nan 8.210 nan 0.000 0.408 90 H N 0.529 119.574 119.070 -0.043 0.000 2.460 90 H HA -0.258 4.298 4.556 0.000 0.000 0.297 90 H C 1.987 177.303 175.328 -0.020 0.000 1.103 90 H CA 1.737 57.770 56.048 -0.024 0.000 1.292 90 H CB -0.293 29.435 29.762 -0.056 0.000 1.376 90 H HN 0.271 nan 8.280 nan 0.000 0.531 91 F N -0.162 119.683 119.950 -0.175 0.000 2.084 91 F HA -0.111 4.416 4.527 -0.000 0.000 0.296 91 F C 1.818 177.509 175.800 -0.180 0.000 1.111 91 F CA 0.988 58.846 58.000 -0.238 0.000 1.224 91 F CB -0.543 38.247 39.000 -0.350 0.000 0.991 91 F HN 0.151 nan 8.300 nan 0.000 0.471 92 L N 0.499 121.568 121.223 -0.255 0.000 2.042 92 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 92 L C 2.333 179.289 176.870 0.144 0.000 1.076 92 L CA 1.584 56.343 54.840 -0.133 0.000 0.749 92 L CB -1.224 40.754 42.059 -0.135 0.000 0.893 92 L HN 0.219 nan 8.230 nan 0.000 0.432 93 L N -0.905 120.258 121.223 -0.099 0.000 2.456 93 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 93 L C 1.263 177.909 176.870 -0.374 0.000 1.148 93 L CA 1.293 55.863 54.840 -0.450 0.000 0.825 93 L CB -0.601 40.927 42.059 -0.885 0.000 0.937 93 L HN 0.476 nan 8.230 nan 0.000 0.450 94 T N -6.380 108.084 114.554 -0.151 0.000 3.296 94 T HA 0.229 4.579 4.350 -0.000 0.000 0.285 94 T C 0.489 175.187 174.700 -0.004 0.000 1.014 94 T CA -0.380 61.695 62.100 -0.042 0.000 0.920 94 T CB 0.120 68.812 68.868 -0.294 0.000 1.143 94 T HN 0.191 nan 8.240 nan 0.000 0.522 95 H N 0.548 119.576 119.070 -0.070 0.000 2.006 95 H HA 0.397 4.953 4.556 -0.000 0.000 0.189 95 H C 2.003 177.113 175.328 -0.363 0.000 0.887 95 H CA 0.147 56.023 56.048 -0.288 0.000 0.958 95 H CB -0.263 29.083 29.762 -0.693 0.000 1.163 95 H HN 0.373 nan 8.280 nan 0.000 0.364 96 G N 2.376 111.143 108.800 -0.055 0.000 2.990 96 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.256 96 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.256 96 G C 0.614 175.357 174.900 -0.262 0.000 0.798 96 G CA -0.101 44.896 45.100 -0.172 0.000 2.012 96 G HN 0.457 nan 8.290 nan 0.000 0.598 97 R N -1.529 118.573 120.500 -0.662 0.000 2.487 97 R HA -0.013 4.327 4.340 -0.000 0.000 0.211 97 R C 0.650 176.825 176.300 -0.208 0.000 1.354 97 R CA 0.295 55.938 56.100 -0.760 0.000 1.276 97 R CB -0.186 29.619 30.300 -0.825 0.000 0.935 97 R HN 0.482 nan 8.270 nan 0.000 0.483 98 W N -0.963 120.229 121.300 -0.180 0.000 4.853 98 W HA 0.178 4.838 4.660 -0.000 0.000 0.186 98 W C 1.500 177.977 176.519 -0.069 0.000 1.039 98 W CA -0.750 56.538 57.345 -0.094 0.000 1.894 98 W CB -0.655 28.747 29.460 -0.096 0.000 0.673 98 W HN 0.145 nan 8.180 nan 0.000 1.004 99 L N -0.539 120.732 121.223 0.081 0.000 2.131 99 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 99 L C 1.895 178.652 176.870 -0.189 0.000 1.092 99 L CA 2.193 56.974 54.840 -0.098 0.000 0.759 99 L CB -0.542 41.308 42.059 -0.348 0.000 0.903 99 L HN -0.025 nan 8.230 nan 0.000 0.435 100 W N 0.275 121.565 121.300 -0.017 0.000 2.443 100 W HA -0.088 4.572 4.660 0.000 0.000 0.296 100 W C 2.345 178.871 176.519 0.011 0.000 1.202 100 W CA 0.698 58.019 57.345 -0.041 0.000 1.312 100 W CB -0.156 29.263 29.460 -0.069 0.000 1.120 100 W HN 0.145 nan 8.180 nan 0.000 0.536 101 D N -0.008 120.557 120.400 0.274 0.000 2.182 101 D HA -0.209 4.431 4.640 -0.000 0.000 0.201 101 D C 1.760 178.181 176.300 0.202 0.000 0.986 101 D CA 1.605 55.737 54.000 0.221 0.000 0.847 101 D CB -0.533 40.397 40.800 0.216 0.000 0.942 101 D HN 0.220 nan 8.370 nan 0.000 0.467 102 F N 1.640 121.609 119.950 0.032 0.000 2.053 102 F HA -0.200 4.327 4.527 0.000 0.000 0.292 102 F C 2.357 178.136 175.800 -0.034 0.000 1.125 102 F CA 0.766 58.752 58.000 -0.022 0.000 1.193 102 F CB -0.274 38.683 39.000 -0.071 0.000 0.996 102 F HN -0.291 nan 8.300 nan 0.000 0.470 103 V N 1.598 121.210 119.914 -0.503 0.000 2.370 103 V HA -0.387 3.733 4.120 -0.000 0.000 0.252 103 V C 2.116 178.035 176.094 -0.292 0.000 1.068 103 V CA 2.215 64.147 62.300 -0.614 0.000 1.061 103 V CB -0.988 30.628 31.823 -0.346 0.000 0.656 103 V HN 0.469 nan 8.190 nan 0.000 0.455 104 N N 0.224 118.894 118.700 -0.050 0.000 2.166 104 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 104 N C 1.368 176.865 175.510 -0.020 0.000 1.019 104 N CA 1.499 54.560 53.050 0.018 0.000 0.856 104 N CB -0.222 38.327 38.487 0.103 0.000 0.993 104 N HN 0.516 nan 8.380 nan 0.000 0.426 105 A N 0.123 122.930 122.820 -0.021 0.000 2.640 105 A HA 0.268 4.588 4.320 -0.000 0.000 0.282 105 A C 0.536 178.113 177.584 -0.012 0.000 1.357 105 A CA -0.032 52.015 52.037 0.017 0.000 0.946 105 A CB -0.308 18.741 19.000 0.083 0.000 1.065 105 A HN 0.293 nan 8.150 nan 0.000 0.541 106 T N -4.626 109.852 114.554 -0.127 0.000 2.792 106 T HA 0.422 4.772 4.350 -0.000 0.000 0.303 106 T C 0.735 175.311 174.700 -0.207 0.000 1.310 106 T CA -0.025 61.998 62.100 -0.130 0.000 1.007 106 T CB 0.135 68.793 68.868 -0.350 0.000 1.335 106 T HN 0.719 nan 8.240 nan 0.000 0.504 107 F N 0.582 120.493 119.950 -0.065 0.000 2.287 107 F HA 0.120 4.647 4.527 -0.000 0.000 0.301 107 F C 1.854 177.615 175.800 -0.065 0.000 1.069 107 F CA 0.791 58.761 58.000 -0.050 0.000 1.372 107 F CB -1.111 37.867 39.000 -0.036 0.000 1.056 107 F HN 0.442 nan 8.300 nan 0.000 0.523 108 I N 0.645 120.406 120.570 -1.350 0.000 2.623 108 I HA -0.270 3.900 4.170 -0.000 0.000 0.261 108 I C 2.763 178.651 176.117 -0.382 0.000 1.204 108 I CA 1.315 62.064 61.300 -0.919 0.000 1.444 108 I CB -0.565 36.852 38.000 -0.971 0.000 1.094 108 I HN 0.287 nan 8.210 nan 0.000 0.451 109 R N 1.224 121.559 120.500 -0.276 0.000 2.056 109 R HA -0.155 4.185 4.340 -0.000 0.000 0.227 109 R C 1.870 178.134 176.300 -0.060 0.000 1.149 109 R CA 1.878 57.913 56.100 -0.107 0.000 0.937 109 R CB -0.140 30.118 30.300 -0.069 0.000 0.835 109 R HN 0.190 nan 8.270 nan 0.000 0.430 110 D N 0.095 120.470 120.400 -0.043 0.000 2.158 110 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 110 D C 1.796 178.090 176.300 -0.010 0.000 0.995 110 D CA 1.984 55.976 54.000 -0.013 0.000 0.846 110 D CB -0.489 40.322 40.800 0.017 0.000 0.941 110 D HN 0.389 nan 8.370 nan 0.000 0.456 111 T N 1.033 115.579 114.554 -0.013 0.000 2.674 111 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 111 T C 2.336 177.029 174.700 -0.012 0.000 1.039 111 T CA 0.674 62.775 62.100 0.001 0.000 1.150 111 T CB -0.412 68.454 68.868 -0.003 0.000 0.864 111 T HN 0.126 nan 8.240 nan 0.000 0.427 112 L N -0.053 121.156 121.223 -0.022 0.000 1.994 112 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 112 L C 2.713 179.586 176.870 0.004 0.000 1.071 112 L CA 1.179 56.022 54.840 0.005 0.000 0.745 112 L CB -0.585 41.500 42.059 0.044 0.000 0.892 112 L HN 0.196 nan 8.230 nan 0.000 0.431 113 M N 0.225 119.824 119.600 -0.001 0.000 2.073 113 M HA -0.264 4.216 4.480 -0.000 0.000 0.258 113 M C 2.414 178.704 176.300 -0.017 0.000 1.070 113 M CA 1.868 57.168 55.300 0.001 0.000 1.103 113 M CB -0.433 32.166 32.600 -0.002 0.000 1.321 113 M HN 0.037 nan 8.290 nan 0.000 0.405 114 R N -0.530 119.953 120.500 -0.028 0.000 2.105 114 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 114 R C 2.028 178.304 176.300 -0.040 0.000 1.135 114 R CA 1.750 57.822 56.100 -0.046 0.000 0.967 114 R CB -0.551 29.728 30.300 -0.036 0.000 0.861 114 R HN 0.465 nan 8.270 nan 0.000 0.442 115 L N 0.266 121.477 121.223 -0.019 0.000 1.988 115 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 115 L C 2.132 178.996 176.870 -0.009 0.000 1.071 115 L CA 1.592 56.426 54.840 -0.010 0.000 0.744 115 L CB -0.648 41.413 42.059 0.003 0.000 0.893 115 L HN 0.040 nan 8.230 nan 0.000 0.433 116 V N 0.143 120.059 119.914 0.004 0.000 2.226 116 V HA -0.426 3.694 4.120 -0.000 0.000 0.254 116 V C 2.538 178.637 176.094 0.008 0.000 1.065 116 V CA 2.504 64.818 62.300 0.023 0.000 1.039 116 V CB -0.924 30.925 31.823 0.044 0.000 0.653 116 V HN 0.487 nan 8.190 nan 0.000 0.450 117 L N 0.010 121.219 121.223 -0.024 0.000 1.934 117 L HA -0.277 4.063 4.340 -0.000 0.000 0.227 117 L C 2.828 179.640 176.870 -0.097 0.000 1.084 117 L CA 2.850 57.645 54.840 -0.074 0.000 0.790 117 L CB -1.867 40.103 42.059 -0.148 0.000 0.896 117 L HN 0.658 nan 8.230 nan 0.000 0.437 118 T N -1.126 113.347 114.554 -0.135 0.000 2.464 118 T HA -0.321 4.029 4.350 -0.000 0.000 0.245 118 T C 1.675 176.353 174.700 -0.037 0.000 1.298 118 T CA 2.400 64.436 62.100 -0.106 0.000 1.152 118 T CB -1.457 67.365 68.868 -0.076 0.000 0.854 118 T HN 0.137 nan 8.240 nan 0.000 0.428 119 V N 2.147 122.050 119.914 -0.018 0.000 2.250 119 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 119 V C 3.039 179.140 176.094 0.011 0.000 1.060 119 V CA 2.456 64.757 62.300 0.002 0.000 1.030 119 V CB -0.984 30.846 31.823 0.012 0.000 0.643 119 V HN 0.338 nan 8.190 nan 0.000 0.445 120 R N 0.694 121.207 120.500 0.022 0.000 2.070 120 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 120 R C 2.620 178.940 176.300 0.033 0.000 1.138 120 R CA 1.917 58.041 56.100 0.040 0.000 0.936 120 R CB -1.277 29.058 30.300 0.059 0.000 0.839 120 R HN 0.529 nan 8.270 nan 0.000 0.429 121 S N 0.634 116.358 115.700 0.041 0.000 2.440 121 S HA -0.145 4.325 4.470 -0.000 0.000 0.238 121 S C 1.346 176.005 174.600 0.099 0.000 1.010 121 S CA 1.300 59.562 58.200 0.102 0.000 0.972 121 S CB -0.432 62.867 63.200 0.166 0.000 0.774 121 S HN 0.392 nan 8.310 nan 0.000 0.501 122 N N 0.746 119.476 118.700 0.049 0.000 2.575 122 N HA 0.119 4.859 4.740 -0.000 0.000 0.192 122 N C 0.975 176.467 175.510 -0.030 0.000 1.200 122 N CA 0.263 53.328 53.050 0.026 0.000 0.897 122 N CB -0.141 38.354 38.487 0.014 0.000 0.990 122 N HN 0.369 nan 8.380 nan 0.000 0.449 123 L N -0.474 120.710 121.223 -0.065 0.000 2.556 123 L HA 0.248 4.588 4.340 -0.000 0.000 0.226 123 L C -0.223 176.517 176.870 -0.218 0.000 1.089 123 L CA 0.026 54.758 54.840 -0.181 0.000 0.864 123 L CB 0.274 42.176 42.059 -0.262 0.000 1.067 123 L HN 0.144 nan 8.230 nan 0.000 0.477 124 I N 2.665 123.172 120.570 -0.105 0.000 2.306 124 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 124 I C -1.960 174.138 176.117 -0.033 0.000 1.036 124 I CA -2.687 58.585 61.300 -0.046 0.000 1.221 124 I CB 0.268 38.302 38.000 0.056 0.000 1.385 124 I HN -0.124 nan 8.210 nan 0.000 0.472 125 P HA 0.004 nan 4.420 nan 0.000 0.261 125 P C -0.187 177.074 177.300 -0.065 0.000 1.173 125 P CA 0.346 63.408 63.100 -0.064 0.000 0.760 125 P CB 1.055 32.703 31.700 -0.088 0.000 0.783 126 S N 3.549 119.203 115.700 -0.078 0.000 2.626 126 S HA 0.395 4.865 4.470 -0.000 0.000 0.275 126 S C -2.818 171.732 174.600 -0.083 0.000 1.175 126 S CA -1.127 57.020 58.200 -0.088 0.000 0.982 126 S CB 0.755 63.877 63.200 -0.131 0.000 1.093 126 S HN 0.303 nan 8.310 nan 0.000 0.472 127 P HA 0.180 nan 4.420 nan 0.000 0.266 127 P C -2.579 174.699 177.300 -0.037 0.000 1.186 127 P CA -0.635 62.466 63.100 0.002 0.000 0.767 127 P CB -0.645 31.054 31.700 -0.000 0.000 0.820 128 P HA -0.033 nan 4.420 nan 0.000 0.270 128 P C 0.541 177.752 177.300 -0.148 0.000 1.223 128 P CA 0.099 63.145 63.100 -0.090 0.000 0.785 128 P CB 0.528 32.162 31.700 -0.110 0.000 0.923 129 T N -0.277 114.124 114.554 -0.256 0.000 3.364 129 T HA 0.173 4.523 4.350 -0.000 0.000 0.190 129 T C 0.630 175.043 174.700 -0.477 0.000 0.798 129 T CA 0.283 62.066 62.100 -0.527 0.000 1.773 129 T CB -0.817 67.451 68.868 -0.999 0.000 2.078 129 T HN 0.350 nan 8.240 nan 0.000 0.437 130 Y N 3.031 123.328 120.300 -0.005 0.000 2.458 130 Y HA 0.661 5.211 4.550 -0.000 0.000 0.322 130 Y C 0.568 176.430 175.900 -0.063 0.000 1.259 130 Y CA -1.205 56.873 58.100 -0.038 0.000 1.302 130 Y CB 0.573 39.013 38.460 -0.032 0.000 1.314 130 Y HN 0.640 nan 8.280 nan 0.000 0.509 131 N N -0.792 117.939 118.700 0.052 0.000 2.853 131 N HA 0.155 4.895 4.740 -0.000 0.000 0.258 131 N C -0.163 175.311 175.510 -0.059 0.000 1.444 131 N CA -0.780 52.239 53.050 -0.051 0.000 0.837 131 N CB 0.400 38.709 38.487 -0.296 0.000 1.489 131 N HN 0.607 nan 8.380 nan 0.000 0.529 132 I N -0.375 120.195 120.570 0.001 0.000 2.502 132 I HA -0.088 4.082 4.170 -0.000 0.000 0.258 132 I C 1.556 177.652 176.117 -0.035 0.000 1.172 132 I CA 1.854 63.170 61.300 0.027 0.000 1.430 132 I CB -0.886 37.169 38.000 0.092 0.000 1.086 132 I HN 0.718 nan 8.210 nan 0.000 0.440 133 A N -1.540 121.182 122.820 -0.163 0.000 2.063 133 A HA 0.131 4.451 4.320 -0.000 0.000 0.211 133 A C 0.620 177.759 177.584 -0.741 0.000 1.177 133 A CA 0.361 52.163 52.037 -0.391 0.000 0.759 133 A CB -0.201 18.544 19.000 -0.426 0.000 0.857 133 A HN 0.507 nan 8.150 nan 0.000 0.468 134 H N -0.196 118.688 119.070 -0.311 0.000 2.689 134 H HA 0.293 4.849 4.556 -0.000 0.000 0.346 134 H C -1.449 173.590 175.328 -0.481 0.000 1.037 134 H CA -0.719 54.985 56.048 -0.574 0.000 1.234 134 H CB 1.516 30.986 29.762 -0.486 0.000 1.572 134 H HN 0.115 nan 8.280 nan 0.000 0.524 135 D N 3.201 123.249 120.400 -0.586 0.000 2.889 135 D HA 0.098 4.738 4.640 -0.000 0.000 0.243 135 D C -0.557 175.563 176.300 -0.300 0.000 1.270 135 D CA 0.272 54.008 54.000 -0.440 0.000 0.838 135 D CB -0.228 40.373 40.800 -0.331 0.000 1.040 135 D HN 0.383 nan 8.370 nan 0.000 0.480 136 Y N -2.805 117.655 120.300 0.266 0.000 2.662 136 Y HA 0.392 4.942 4.550 -0.000 0.000 0.334 136 Y C -0.861 175.231 175.900 0.320 0.000 1.185 136 Y CA -1.837 56.465 58.100 0.338 0.000 1.074 136 Y CB -0.324 38.219 38.460 0.138 0.000 1.330 136 Y HN -0.339 nan 8.280 nan 0.000 0.458 137 I N 2.897 123.745 120.570 0.463 0.000 2.813 137 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 137 I C 0.447 176.677 176.117 0.187 0.000 1.196 137 I CA 1.001 62.416 61.300 0.193 0.000 1.421 137 I CB 0.621 38.666 38.000 0.075 0.000 1.365 137 I HN 0.814 nan 8.210 nan 0.000 0.591 138 S N 5.064 120.809 115.700 0.075 0.000 2.543 138 S HA 0.157 4.627 4.470 -0.000 0.000 0.274 138 S C 0.015 174.631 174.600 0.026 0.000 1.149 138 S CA -0.968 57.248 58.200 0.028 0.000 0.866 138 S CB 0.405 63.536 63.200 -0.116 0.000 1.111 138 S HN 0.796 nan 8.310 nan 0.000 0.457 139 W N 1.790 123.087 121.300 -0.004 0.000 2.392 139 W HA -0.086 4.574 4.660 -0.000 0.000 0.279 139 W C 1.435 178.017 176.519 0.105 0.000 1.225 139 W CA 2.224 59.613 57.345 0.073 0.000 1.233 139 W CB -0.049 29.441 29.460 0.049 0.000 1.122 139 W HN 1.040 nan 8.180 nan 0.000 0.561 140 E N 0.458 120.679 120.200 0.036 0.000 2.028 140 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 140 E C 2.323 178.867 176.600 -0.094 0.000 0.988 140 E CA 2.321 58.733 56.400 0.020 0.000 0.799 140 E CB -0.873 28.858 29.700 0.052 0.000 0.755 140 E HN 0.001 nan 8.360 nan 0.000 0.447 141 S N -1.069 114.537 115.700 -0.158 0.000 2.359 141 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 141 S C 1.856 176.353 174.600 -0.172 0.000 1.035 141 S CA 1.381 59.472 58.200 -0.180 0.000 1.018 141 S CB -0.721 62.402 63.200 -0.130 0.000 0.876 141 S HN 0.441 nan 8.310 nan 0.000 0.448 142 F N 2.766 122.497 119.950 -0.364 0.000 2.046 142 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 142 F C 2.639 178.194 175.800 -0.407 0.000 1.123 142 F CA 2.318 60.050 58.000 -0.447 0.000 1.199 142 F CB -1.020 37.554 39.000 -0.710 0.000 0.972 142 F HN 0.381 nan 8.300 nan 0.000 0.474 143 S N -0.749 114.546 115.700 -0.675 0.000 2.446 143 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 143 S C 1.160 175.631 174.600 -0.214 0.000 1.016 143 S CA 0.369 58.249 58.200 -0.532 0.000 0.943 143 S CB -0.778 62.236 63.200 -0.310 0.000 0.786 143 S HN 0.424 nan 8.310 nan 0.000 0.508 144 N N 2.494 121.154 118.700 -0.066 0.000 2.819 144 N HA 0.130 4.870 4.740 -0.000 0.000 0.284 144 N C 0.728 176.305 175.510 0.111 0.000 1.196 144 N CA -0.020 53.093 53.050 0.104 0.000 1.114 144 N CB 0.241 38.926 38.487 0.331 0.000 1.437 144 N HN 0.134 nan 8.380 nan 0.000 0.518 145 V N 1.819 121.757 119.914 0.041 0.000 2.909 145 V HA -0.236 3.884 4.120 -0.000 0.000 0.265 145 V C 1.984 178.195 176.094 0.196 0.000 1.128 145 V CA 1.444 63.826 62.300 0.136 0.000 1.149 145 V CB -0.475 31.420 31.823 0.120 0.000 0.725 145 V HN 0.544 nan 8.190 nan 0.000 0.511 146 S N -2.320 113.438 115.700 0.097 0.000 2.368 146 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 146 S C 0.613 175.161 174.600 -0.087 0.000 1.029 146 S CA 0.488 58.696 58.200 0.014 0.000 0.988 146 S CB -0.235 62.988 63.200 0.038 0.000 0.838 146 S HN 0.567 nan 8.310 nan 0.000 0.462 147 Y N 1.179 121.373 120.300 -0.177 0.000 2.620 147 Y HA 0.104 4.654 4.550 -0.000 0.000 0.330 147 Y C 0.532 176.361 175.900 -0.118 0.000 1.186 147 Y CA -0.300 57.581 58.100 -0.366 0.000 1.467 147 Y CB 0.020 38.302 38.460 -0.296 0.000 1.262 147 Y HN 0.120 nan 8.280 nan 0.000 0.550 148 Y N 1.097 121.413 120.300 0.028 0.000 2.330 148 Y HA 0.207 4.757 4.550 0.000 0.000 0.341 148 Y C 0.832 176.746 175.900 0.022 0.000 1.278 148 Y CA -0.572 57.569 58.100 0.070 0.000 1.453 148 Y CB 0.839 39.337 38.460 0.063 0.000 1.342 148 Y HN 0.484 nan 8.280 nan 0.000 0.590 149 T N 2.137 116.797 114.554 0.177 0.000 2.908 149 T HA 0.691 5.040 4.350 -0.000 0.000 0.290 149 T C -0.925 173.834 174.700 0.098 0.000 1.034 149 T CA -0.983 61.163 62.100 0.077 0.000 1.010 149 T CB 0.678 69.543 68.868 -0.006 0.000 1.068 149 T HN 0.712 nan 8.240 nan 0.000 0.481 150 R N 3.707 124.286 120.500 0.132 0.000 2.832 150 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 150 R C 0.517 176.976 176.300 0.264 0.000 0.996 150 R CA -0.999 55.223 56.100 0.203 0.000 0.977 150 R CB 0.733 31.157 30.300 0.206 0.000 1.168 150 R HN 0.382 nan 8.270 nan 0.000 0.482 151 I N 0.967 121.744 120.570 0.345 0.000 2.339 151 I HA 0.058 4.228 4.170 -0.000 0.000 0.245 151 I C 0.984 177.243 176.117 0.236 0.000 1.096 151 I CA 0.680 62.161 61.300 0.303 0.000 1.408 151 I CB -0.691 37.566 38.000 0.428 0.000 1.092 151 I HN 0.542 nan 8.210 nan 0.000 0.423 152 L N 1.889 123.213 121.223 0.168 0.000 2.334 152 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 152 L C -1.970 174.922 176.870 0.038 0.000 1.020 152 L CA -1.705 53.136 54.840 0.001 0.000 0.812 152 L CB 1.360 43.206 42.059 -0.355 0.000 1.264 152 L HN -0.076 nan 8.230 nan 0.000 0.439 153 P HA 0.046 nan 4.420 nan 0.000 0.285 153 P C -0.737 176.521 177.300 -0.070 0.000 1.282 153 P CA -0.334 62.598 63.100 -0.279 0.000 0.778 153 P CB 0.442 31.898 31.700 -0.405 0.000 1.222 154 S N -1.889 113.775 115.700 -0.059 0.000 2.747 154 S HA 0.385 4.855 4.470 -0.000 0.000 0.300 154 S C -0.009 174.624 174.600 0.055 0.000 1.121 154 S CA -0.893 57.322 58.200 0.024 0.000 0.995 154 S CB 0.424 63.632 63.200 0.013 0.000 1.113 154 S HN 0.215 nan 8.310 nan 0.000 0.547 155 V N 2.874 122.844 119.914 0.094 0.000 2.446 155 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 155 V C -2.192 173.910 176.094 0.013 0.000 1.030 155 V CA -1.289 61.065 62.300 0.091 0.000 1.033 155 V CB -0.308 31.582 31.823 0.112 0.000 0.993 155 V HN 0.731 nan 8.190 nan 0.000 0.477 156 P HA 0.012 nan 4.420 nan 0.000 0.261 156 P C 0.612 177.890 177.300 -0.037 0.000 1.173 156 P CA 0.239 63.308 63.100 -0.051 0.000 0.760 156 P CB 0.289 31.935 31.700 -0.091 0.000 0.783 157 R N 2.727 123.213 120.500 -0.023 0.000 2.362 157 R HA -0.065 4.275 4.340 -0.000 0.000 0.204 157 R C 0.248 176.538 176.300 -0.017 0.000 1.088 157 R CA 0.849 56.943 56.100 -0.012 0.000 1.121 157 R CB -0.418 29.880 30.300 -0.003 0.000 0.954 157 R HN 0.613 nan 8.270 nan 0.000 0.478 158 D N -2.229 118.151 120.400 -0.034 0.000 2.562 158 D HA 0.013 4.653 4.640 -0.000 0.000 0.246 158 D C -0.058 176.204 176.300 -0.064 0.000 1.347 158 D CA -0.391 53.587 54.000 -0.038 0.000 0.800 158 D CB -0.676 40.105 40.800 -0.031 0.000 1.111 158 D HN -0.085 nan 8.370 nan 0.000 0.508 159 c N 1.841 120.390 118.600 -0.084 0.000 2.605 159 c HA 0.262 4.832 4.570 -0.000 0.000 0.404 159 c C -0.575 173.458 174.090 -0.095 0.000 1.284 159 c CA -0.769 55.481 56.329 -0.132 0.000 2.199 159 c CB 1.359 43.762 42.510 -0.178 0.000 2.647 159 c HN 0.157 nan 8.230 nan 0.000 0.604 160 P HA -0.127 nan 4.420 nan 0.000 0.206 160 P C 0.742 178.020 177.300 -0.037 0.000 1.142 160 P CA 1.689 64.749 63.100 -0.066 0.000 0.946 160 P CB -0.310 31.342 31.700 -0.081 0.000 0.777 161 T N -4.783 109.751 114.554 -0.034 0.000 2.849 161 T HA 0.210 4.560 4.350 -0.000 0.000 0.284 161 T C -1.942 172.767 174.700 0.016 0.000 1.004 161 T CA -1.623 60.481 62.100 0.007 0.000 1.021 161 T CB 0.519 69.406 68.868 0.032 0.000 1.013 161 T HN -0.085 nan 8.240 nan 0.000 0.527 162 P HA 0.030 nan 4.420 nan 0.000 0.220 162 P C 1.271 178.627 177.300 0.094 0.000 1.148 162 P CA 0.939 64.077 63.100 0.063 0.000 0.803 162 P CB 0.056 31.801 31.700 0.075 0.000 0.782 163 M N -2.795 116.876 119.600 0.119 0.000 2.428 163 M HA 0.318 4.798 4.480 -0.000 0.000 0.239 163 M C 1.340 177.736 176.300 0.161 0.000 1.121 163 M CA 0.695 56.099 55.300 0.172 0.000 1.019 163 M CB -0.181 32.545 32.600 0.210 0.000 1.485 163 M HN 0.096 nan 8.290 nan 0.000 0.484 164 G N 0.147 108.971 108.800 0.040 0.000 2.475 164 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.198 164 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.198 164 G C 0.856 175.652 174.900 -0.173 0.000 2.226 164 G CA 0.321 45.353 45.100 -0.114 0.000 1.626 164 G HN 0.251 nan 8.290 nan 0.000 0.534 165 T N 1.369 115.862 114.554 -0.102 0.000 3.125 165 T HA 0.333 4.683 4.350 -0.000 0.000 0.252 165 T C 0.923 175.638 174.700 0.024 0.000 0.981 165 T CA 0.995 63.038 62.100 -0.096 0.000 1.069 165 T CB 0.461 69.277 68.868 -0.086 0.000 1.091 165 T HN 0.484 nan 8.240 nan 0.000 0.460 166 K N 0.995 121.443 120.400 0.081 0.000 2.132 166 K HA 0.617 4.937 4.320 -0.000 0.000 0.241 166 K C 0.387 177.064 176.600 0.128 0.000 1.000 166 K CA -0.379 55.973 56.287 0.110 0.000 0.911 166 K CB 1.229 33.809 32.500 0.132 0.000 1.093 166 K HN 0.399 nan 8.250 nan 0.000 0.460 167 G N 0.634 109.519 108.800 0.141 0.000 2.549 167 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.404 167 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.404 167 G C -1.364 173.601 174.900 0.109 0.000 1.292 167 G CA -0.887 44.310 45.100 0.162 0.000 0.935 167 G HN 0.458 nan 8.290 nan 0.000 0.512 168 K N 0.320 120.777 120.400 0.095 0.000 2.123 168 K HA 0.678 4.998 4.320 -0.000 0.000 0.248 168 K C 1.453 178.080 176.600 0.044 0.000 0.969 168 K CA -0.102 56.218 56.287 0.056 0.000 0.882 168 K CB 1.124 33.644 32.500 0.034 0.000 1.080 168 K HN 0.862 nan 8.250 nan 0.000 0.441 169 K N 0.628 121.046 120.400 0.030 0.000 2.520 169 K HA -0.091 4.229 4.320 -0.000 0.000 0.197 169 K C 0.812 177.424 176.600 0.020 0.000 1.043 169 K CA 2.024 58.325 56.287 0.023 0.000 0.944 169 K CB -1.004 31.506 32.500 0.015 0.000 0.770 169 K HN 0.665 nan 8.250 nan 0.000 0.480 170 Q N -0.384 119.425 119.800 0.016 0.000 2.315 170 Q HA 0.713 5.053 4.340 -0.000 0.000 0.273 170 Q C -0.548 175.447 176.000 -0.008 0.000 1.053 170 Q CA -0.754 55.053 55.803 0.006 0.000 0.817 170 Q CB 1.107 29.841 28.738 -0.005 0.000 1.326 170 Q HN 0.410 nan 8.270 nan 0.000 0.423 171 L N 2.301 123.521 121.223 -0.006 0.000 2.418 171 L HA 0.495 4.835 4.340 -0.000 0.000 0.265 171 L C -1.849 174.962 176.870 -0.099 0.000 1.143 171 L CA -1.766 53.045 54.840 -0.048 0.000 0.809 171 L CB 1.360 43.434 42.059 0.025 0.000 1.124 171 L HN 0.584 nan 8.230 nan 0.000 0.456 172 P HA 0.016 nan 4.420 nan 0.000 0.265 172 P C -0.624 176.674 177.300 -0.003 0.000 1.187 172 P CA 0.069 63.089 63.100 -0.133 0.000 0.766 172 P CB 0.188 31.735 31.700 -0.255 0.000 0.820 173 D N 2.385 122.818 120.400 0.055 0.000 2.368 173 D HA 0.264 4.904 4.640 -0.000 0.000 0.268 173 D C 1.536 177.905 176.300 0.116 0.000 1.298 173 D CA 0.317 54.362 54.000 0.074 0.000 0.938 173 D CB 0.198 41.037 40.800 0.065 0.000 1.101 173 D HN 0.464 nan 8.370 nan 0.000 0.509 174 A N 1.508 124.378 122.820 0.085 0.000 1.997 174 A HA 0.057 4.377 4.320 -0.000 0.000 0.221 174 A C 2.364 179.999 177.584 0.086 0.000 1.172 174 A CA 2.762 54.852 52.037 0.089 0.000 0.645 174 A CB -0.762 18.279 19.000 0.069 0.000 0.813 174 A HN 1.024 nan 8.150 nan 0.000 0.454 175 E N -1.189 119.066 120.200 0.091 0.000 2.047 175 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 175 E C 1.850 178.512 176.600 0.104 0.000 0.987 175 E CA 1.385 57.837 56.400 0.086 0.000 0.799 175 E CB -0.808 28.941 29.700 0.082 0.000 0.752 175 E HN 0.729 nan 8.360 nan 0.000 0.449 176 F N 0.583 120.513 119.950 -0.033 0.000 2.039 176 F HA -0.005 4.522 4.527 0.000 0.000 0.294 176 F C 2.271 178.003 175.800 -0.112 0.000 1.130 176 F CA 1.528 59.482 58.000 -0.077 0.000 1.189 176 F CB -0.726 38.229 39.000 -0.076 0.000 0.983 176 F HN 0.194 nan 8.300 nan 0.000 0.471 177 L N -0.071 121.106 121.223 -0.077 0.000 2.197 177 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 177 L C 2.325 179.141 176.870 -0.091 0.000 1.095 177 L CA 1.921 56.713 54.840 -0.081 0.000 0.764 177 L CB -0.956 41.204 42.059 0.169 0.000 0.897 177 L HN 0.203 nan 8.230 nan 0.000 0.436 178 S N -0.894 114.765 115.700 -0.069 0.000 2.317 178 S HA -0.062 4.408 4.470 -0.000 0.000 0.212 178 S C 1.853 176.383 174.600 -0.118 0.000 1.030 178 S CA 0.871 59.056 58.200 -0.026 0.000 0.970 178 S CB -0.189 63.026 63.200 0.025 0.000 0.928 178 S HN 0.439 nan 8.310 nan 0.000 0.451 179 R N 1.086 121.500 120.500 -0.144 0.000 2.117 179 R HA -0.010 4.330 4.340 -0.000 0.000 0.243 179 R C 2.324 178.441 176.300 -0.306 0.000 1.143 179 R CA 0.847 56.854 56.100 -0.155 0.000 0.968 179 R CB -0.319 29.922 30.300 -0.099 0.000 0.863 179 R HN 0.192 nan 8.270 nan 0.000 0.444 180 R N -0.067 120.058 120.500 -0.626 0.000 2.092 180 R HA -0.022 4.318 4.340 -0.000 0.000 0.231 180 R C 1.644 177.405 176.300 -0.898 0.000 1.119 180 R CA 1.448 56.947 56.100 -1.003 0.000 0.970 180 R CB 0.032 29.197 30.300 -1.892 0.000 0.864 180 R HN 0.300 nan 8.270 nan 0.000 0.440 181 F N -1.832 118.007 119.950 -0.186 0.000 2.699 181 F HA 0.176 4.703 4.527 -0.000 0.000 0.295 181 F C 1.833 177.580 175.800 -0.088 0.000 1.052 181 F CA -0.242 57.684 58.000 -0.124 0.000 1.239 181 F CB 0.169 39.101 39.000 -0.112 0.000 1.018 181 F HN -0.208 nan 8.300 nan 0.000 0.627 182 L N 0.536 121.812 121.223 0.088 0.000 2.513 182 L HA 0.188 4.528 4.340 -0.000 0.000 0.222 182 L C 0.162 177.056 176.870 0.040 0.000 1.096 182 L CA -0.008 54.871 54.840 0.065 0.000 0.857 182 L CB 0.163 42.280 42.059 0.097 0.000 1.026 182 L HN 0.085 nan 8.230 nan 0.000 0.469 183 L N 1.837 123.063 121.223 0.005 0.000 2.361 183 L HA 0.161 4.501 4.340 -0.000 0.000 0.278 183 L C 0.771 177.638 176.870 -0.005 0.000 1.113 183 L CA 0.124 54.968 54.840 0.006 0.000 0.849 183 L CB 0.411 42.460 42.059 -0.016 0.000 1.155 183 L HN 0.099 nan 8.230 nan 0.000 0.452 184 R N 4.008 124.513 120.500 0.008 0.000 2.489 184 R HA 0.118 4.458 4.340 -0.000 0.000 0.287 184 R C 0.176 176.457 176.300 -0.033 0.000 1.053 184 R CA 0.003 56.099 56.100 -0.006 0.000 1.036 184 R CB 0.620 30.933 30.300 0.021 0.000 0.966 184 R HN 0.804 nan 8.270 nan 0.000 0.432 185 R N 3.326 123.807 120.500 -0.031 0.000 1.970 185 R HA 0.182 4.522 4.340 -0.000 0.000 0.200 185 R C -0.010 176.276 176.300 -0.023 0.000 1.457 185 R CA 1.555 57.631 56.100 -0.040 0.000 1.139 185 R CB -0.488 29.792 30.300 -0.034 0.000 0.977 185 R HN 0.582 nan 8.270 nan 0.000 0.477 186 K N 1.477 121.873 120.400 -0.006 0.000 2.156 186 K HA 0.310 4.630 4.320 -0.000 0.000 0.271 186 K C -0.778 175.859 176.600 0.063 0.000 0.995 186 K CA -0.666 55.638 56.287 0.028 0.000 0.890 186 K CB -0.104 32.406 32.500 0.015 0.000 1.073 186 K HN 0.273 nan 8.250 nan 0.000 0.454 187 F N 3.207 123.128 119.950 -0.048 0.000 2.533 187 F HA 0.353 4.880 4.527 -0.000 0.000 0.378 187 F C -0.075 175.699 175.800 -0.042 0.000 1.070 187 F CA -0.678 57.295 58.000 -0.044 0.000 1.172 187 F CB 0.015 38.989 39.000 -0.044 0.000 1.085 187 F HN 0.450 nan 8.300 nan 0.000 0.552 188 I N 9.682 129.882 120.570 -0.616 0.000 2.307 188 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 188 I C -1.922 173.632 176.117 -0.937 0.000 1.021 188 I CA -2.077 58.894 61.300 -0.549 0.000 1.224 188 I CB 0.834 38.640 38.000 -0.324 0.000 1.376 188 I HN 0.480 nan 8.210 nan 0.000 0.470 189 P HA 0.057 nan 4.420 nan 0.000 0.275 189 P C -0.962 176.146 177.300 -0.320 0.000 1.266 189 P CA -0.332 62.439 63.100 -0.548 0.000 0.793 189 P CB 0.803 32.489 31.700 -0.023 0.000 1.074 190 D N 0.529 120.796 120.400 -0.223 0.000 2.347 190 D HA 0.120 4.760 4.640 -0.000 0.000 0.235 190 D C -1.121 175.070 176.300 -0.183 0.000 1.149 190 D CA -2.339 51.526 54.000 -0.224 0.000 0.850 190 D CB 0.450 41.102 40.800 -0.247 0.000 1.061 190 D HN 0.109 nan 8.370 nan 0.000 0.487 191 P HA -0.232 nan 4.420 nan 0.000 0.217 191 P C 0.743 177.944 177.300 -0.164 0.000 1.148 191 P CA 1.201 64.213 63.100 -0.148 0.000 0.828 191 P CB 0.245 31.862 31.700 -0.139 0.000 0.783 192 Q N -1.065 118.601 119.800 -0.223 0.000 2.541 192 Q HA 0.083 4.423 4.340 -0.000 0.000 0.215 192 Q C 1.461 177.340 176.000 -0.202 0.000 0.977 192 Q CA 0.798 56.451 55.803 -0.251 0.000 0.934 192 Q CB -0.486 28.039 28.738 -0.355 0.000 0.988 192 Q HN 0.377 nan 8.270 nan 0.000 0.521 193 G N 1.058 109.770 108.800 -0.147 0.000 2.179 193 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 193 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 193 G C 0.336 175.209 174.900 -0.046 0.000 0.977 193 G CA 0.353 45.416 45.100 -0.062 0.000 0.641 193 G HN 0.340 nan 8.290 nan 0.000 0.533 194 T N 1.625 116.077 114.554 -0.171 0.000 2.906 194 T HA 0.356 4.706 4.350 -0.000 0.000 0.329 194 T C 0.683 175.354 174.700 -0.049 0.000 1.091 194 T CA 1.071 63.034 62.100 -0.229 0.000 1.127 194 T CB 0.672 69.260 68.868 -0.467 0.000 1.035 194 T HN 1.019 nan 8.240 nan 0.000 0.547 195 N N 1.223 119.958 118.700 0.059 0.000 2.577 195 N HA 0.314 5.054 4.740 -0.000 0.000 0.285 195 N C 0.731 176.358 175.510 0.195 0.000 1.309 195 N CA -1.196 51.940 53.050 0.144 0.000 0.798 195 N CB 0.445 39.051 38.487 0.198 0.000 1.463 195 N HN 0.387 nan 8.380 nan 0.000 0.518 196 L N -0.695 120.610 121.223 0.137 0.000 2.083 196 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 196 L C 2.155 179.103 176.870 0.131 0.000 1.083 196 L CA 1.257 56.086 54.840 -0.019 0.000 0.752 196 L CB -0.411 41.590 42.059 -0.097 0.000 0.899 196 L HN 0.593 nan 8.230 nan 0.000 0.433 197 M N -0.207 119.644 119.600 0.418 0.000 2.260 197 M HA -0.270 4.210 4.480 -0.000 0.000 0.261 197 M C 1.881 178.620 176.300 0.732 0.000 1.066 197 M CA 1.829 57.509 55.300 0.633 0.000 1.082 197 M CB -0.509 32.425 32.600 0.557 0.000 1.388 197 M HN 0.213 nan 8.290 nan 0.000 0.419 198 F N -0.061 120.127 119.950 0.396 0.000 2.147 198 F HA 0.163 4.690 4.527 -0.000 0.000 0.291 198 F C 2.103 177.932 175.800 0.048 0.000 1.093 198 F CA 1.244 59.303 58.000 0.100 0.000 1.263 198 F CB -0.928 37.981 39.000 -0.151 0.000 1.036 198 F HN 0.135 nan 8.300 nan 0.000 0.481 199 A N 0.869 123.780 122.820 0.152 0.000 1.915 199 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 199 A C 2.056 179.554 177.584 -0.143 0.000 1.198 199 A CA 2.387 54.393 52.037 -0.052 0.000 0.647 199 A CB -1.589 17.274 19.000 -0.228 0.000 0.825 199 A HN 0.473 nan 8.150 nan 0.000 0.456 200 F N -1.585 118.387 119.950 0.037 0.000 2.074 200 F HA 0.001 4.528 4.527 -0.000 0.000 0.293 200 F C 2.101 177.852 175.800 -0.083 0.000 1.116 200 F CA 0.558 58.564 58.000 0.010 0.000 1.212 200 F CB -1.398 37.667 39.000 0.109 0.000 0.998 200 F HN 0.337 nan 8.300 nan 0.000 0.471 201 F N 0.799 120.627 119.950 -0.204 0.000 2.082 201 F HA -0.377 4.150 4.527 -0.000 0.000 0.298 201 F C 2.373 177.972 175.800 -0.336 0.000 1.091 201 F CA 1.646 59.254 58.000 -0.654 0.000 1.230 201 F CB -0.346 38.437 39.000 -0.361 0.000 0.983 201 F HN -0.018 nan 8.300 nan 0.000 0.485 202 A N -0.149 122.686 122.820 0.026 0.000 1.873 202 A HA -0.353 3.967 4.320 -0.000 0.000 0.218 202 A C 2.101 179.688 177.584 0.006 0.000 1.193 202 A CA 2.121 54.176 52.037 0.029 0.000 0.629 202 A CB -1.296 17.604 19.000 -0.167 0.000 0.826 202 A HN 0.662 nan 8.150 nan 0.000 0.447 203 Q N -1.174 118.615 119.800 -0.018 0.000 2.002 203 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 203 Q C 2.026 178.021 176.000 -0.008 0.000 0.988 203 Q CA 2.230 58.014 55.803 -0.032 0.000 0.843 203 Q CB -0.405 28.302 28.738 -0.052 0.000 0.908 203 Q HN 0.906 nan 8.270 nan 0.000 0.420 204 H N -1.042 117.883 119.070 -0.241 0.000 2.254 204 H HA -0.235 4.321 4.556 0.000 0.000 0.294 204 H C 1.942 177.158 175.328 -0.186 0.000 1.071 204 H CA 1.804 57.680 56.048 -0.287 0.000 1.228 204 H CB -0.440 29.148 29.762 -0.290 0.000 1.358 204 H HN 0.400 nan 8.280 nan 0.000 0.495 205 F N 1.717 121.549 119.950 -0.196 0.000 2.045 205 F HA -0.332 4.195 4.527 0.000 0.000 0.297 205 F C 2.923 178.342 175.800 -0.635 0.000 1.114 205 F CA 2.815 60.581 58.000 -0.390 0.000 1.207 205 F CB -1.157 37.747 39.000 -0.160 0.000 0.964 205 F HN 0.405 nan 8.300 nan 0.000 0.486 206 T N -2.752 111.402 114.554 -0.667 0.000 2.977 206 T HA -0.250 4.100 4.350 -0.000 0.000 0.271 206 T C 1.472 175.335 174.700 -1.396 0.000 1.105 206 T CA 1.787 63.081 62.100 -1.344 0.000 1.116 206 T CB -1.049 67.278 68.868 -0.901 0.000 0.878 206 T HN 0.519 nan 8.240 nan 0.000 0.509 207 H N 1.356 119.953 119.070 -0.789 0.000 2.553 207 H HA 0.146 4.702 4.556 -0.000 0.000 0.269 207 H C 2.318 177.291 175.328 -0.592 0.000 1.011 207 H CA 1.031 56.795 56.048 -0.474 0.000 1.150 207 H CB -0.074 29.677 29.762 -0.019 0.000 1.339 207 H HN 0.769 nan 8.280 nan 0.000 0.604 208 Q N -0.464 118.760 119.800 -0.960 0.000 2.391 208 Q HA -0.015 4.325 4.340 -0.000 0.000 0.211 208 Q C 0.548 176.246 176.000 -0.503 0.000 0.908 208 Q CA 0.631 56.040 55.803 -0.657 0.000 0.920 208 Q CB 0.089 28.408 28.738 -0.698 0.000 1.056 208 Q HN 0.477 nan 8.270 nan 0.000 0.523 209 F N -1.311 118.281 119.950 -0.598 0.000 2.694 209 F HA 0.424 4.951 4.527 -0.000 0.000 0.292 209 F C 0.021 175.530 175.800 -0.485 0.000 1.121 209 F CA -1.033 56.620 58.000 -0.579 0.000 1.352 209 F CB 0.095 38.656 39.000 -0.731 0.000 1.107 209 F HN -0.199 nan 8.300 nan 0.000 0.597 210 F N 3.091 122.841 119.950 -0.333 0.000 2.335 210 F HA 0.513 5.040 4.527 -0.000 0.000 0.365 210 F C 0.109 175.784 175.800 -0.207 0.000 1.122 210 F CA -1.334 56.528 58.000 -0.229 0.000 1.151 210 F CB 0.718 39.416 39.000 -0.502 0.000 1.282 210 F HN -0.122 nan 8.300 nan 0.000 0.513 211 K N 2.255 122.734 120.400 0.132 0.000 2.950 211 K HA 0.193 4.513 4.320 -0.000 0.000 0.199 211 K C -0.780 175.839 176.600 0.033 0.000 1.144 211 K CA -0.288 56.013 56.287 0.024 0.000 0.983 211 K CB 1.275 33.744 32.500 -0.052 0.000 1.187 211 K HN 0.412 nan 8.250 nan 0.000 0.595 212 T N 1.118 115.729 114.554 0.095 0.000 2.799 212 T HA -0.017 4.333 4.350 -0.000 0.000 0.296 212 T C 0.551 175.255 174.700 0.007 0.000 0.947 212 T CA 0.157 62.297 62.100 0.065 0.000 1.141 212 T CB 0.961 69.928 68.868 0.165 0.000 0.891 212 T HN 0.274 nan 8.240 nan 0.000 0.533 213 S N 3.305 118.986 115.700 -0.031 0.000 2.423 213 S HA 0.254 4.724 4.470 -0.000 0.000 0.302 213 S C 1.808 176.382 174.600 -0.045 0.000 1.143 213 S CA -0.485 57.688 58.200 -0.045 0.000 1.080 213 S CB -0.250 62.906 63.200 -0.073 0.000 1.081 213 S HN 0.840 nan 8.310 nan 0.000 0.522 214 G N 4.541 113.324 108.800 -0.029 0.000 2.513 214 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 214 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 214 G C 1.629 176.493 174.900 -0.060 0.000 1.160 214 G CA 1.361 46.445 45.100 -0.028 0.000 0.767 214 G HN 0.915 nan 8.290 nan 0.000 0.571 215 K N 0.323 120.677 120.400 -0.076 0.000 2.044 215 K HA 0.030 4.350 4.320 -0.000 0.000 0.210 215 K C 2.446 178.937 176.600 -0.183 0.000 1.049 215 K CA 2.019 58.242 56.287 -0.107 0.000 0.927 215 K CB -0.692 31.748 32.500 -0.100 0.000 0.713 215 K HN 0.457 nan 8.250 nan 0.000 0.443 216 M N -1.036 118.408 119.600 -0.260 0.000 2.492 216 M HA 0.199 4.679 4.480 -0.000 0.000 0.262 216 M C 1.350 177.393 176.300 -0.428 0.000 1.090 216 M CA 0.812 55.794 55.300 -0.529 0.000 1.110 216 M CB 0.108 32.257 32.600 -0.752 0.000 1.407 216 M HN 0.730 nan 8.290 nan 0.000 0.470 217 G N 0.343 109.044 108.800 -0.164 0.000 2.587 217 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.212 217 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.212 217 G C -3.031 171.925 174.900 0.094 0.000 1.327 217 G CA -1.273 43.807 45.100 -0.033 0.000 0.898 217 G HN 0.127 nan 8.290 nan 0.000 0.551 218 P HA 0.457 nan 4.420 nan 0.000 0.274 218 P C 0.894 178.363 177.300 0.282 0.000 1.231 218 P CA 1.760 64.966 63.100 0.177 0.000 0.790 218 P CB 0.937 32.711 31.700 0.122 0.000 0.951 219 G N -0.550 108.420 108.800 0.284 0.000 2.159 219 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 219 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 219 G C -0.246 174.591 174.900 -0.104 0.000 0.977 219 G CA -0.289 44.944 45.100 0.222 0.000 0.652 219 G HN 0.378 nan 8.290 nan 0.000 0.531 220 F N -0.497 119.332 119.950 -0.201 0.000 2.593 220 F HA 0.810 5.337 4.527 0.000 0.000 0.320 220 F C 0.344 175.763 175.800 -0.636 0.000 1.060 220 F CA -0.270 57.499 58.000 -0.385 0.000 0.940 220 F CB 2.532 41.361 39.000 -0.286 0.000 1.268 220 F HN 0.059 nan 8.300 nan 0.000 0.475 221 T N 0.815 115.113 114.554 -0.426 0.000 2.952 221 T HA 0.310 4.660 4.350 -0.000 0.000 0.305 221 T C 0.355 174.929 174.700 -0.210 0.000 1.064 221 T CA -0.665 61.173 62.100 -0.438 0.000 1.008 221 T CB 1.311 69.779 68.868 -0.666 0.000 1.078 221 T HN 0.654 nan 8.240 nan 0.000 0.459 222 K N 2.317 122.631 120.400 -0.143 0.000 2.062 222 K HA 0.148 4.468 4.320 -0.000 0.000 0.205 222 K C 1.259 177.778 176.600 -0.134 0.000 1.051 222 K CA 0.799 57.021 56.287 -0.109 0.000 0.941 222 K CB -0.158 32.295 32.500 -0.079 0.000 0.719 222 K HN 0.634 nan 8.250 nan 0.000 0.440 223 A N 3.069 125.801 122.820 -0.147 0.000 2.897 223 A HA 0.143 4.463 4.320 -0.000 0.000 0.287 223 A C 0.246 177.655 177.584 -0.292 0.000 1.748 223 A CA 0.139 52.071 52.037 -0.173 0.000 1.397 223 A CB -1.040 17.869 19.000 -0.151 0.000 1.049 223 A HN 0.160 nan 8.150 nan 0.000 0.592 224 L N 0.820 121.887 121.223 -0.261 0.000 2.475 224 L HA 0.561 4.901 4.340 -0.000 0.000 0.253 224 L C 1.700 178.400 176.870 -0.283 0.000 1.198 224 L CA 0.602 55.241 54.840 -0.335 0.000 0.814 224 L CB 0.441 42.413 42.059 -0.145 0.000 1.134 224 L HN 0.851 nan 8.230 nan 0.000 0.478 225 G N -1.433 107.248 108.800 -0.197 0.000 2.279 225 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.223 225 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.223 225 G C 0.288 175.203 174.900 0.025 0.000 1.015 225 G CA 0.002 45.075 45.100 -0.045 0.000 0.621 225 G HN 0.814 nan 8.290 nan 0.000 0.506 226 H N 0.763 119.831 119.070 -0.003 0.000 2.394 226 H HA -0.039 4.517 4.556 -0.000 0.000 0.322 226 H C 1.167 176.455 175.328 -0.066 0.000 1.012 226 H CA 1.999 58.041 56.048 -0.010 0.000 1.084 226 H CB -1.546 28.210 29.762 -0.011 0.000 1.597 226 H HN 2.025 nan 8.280 nan 0.000 0.375 227 G N -1.399 107.402 108.800 0.001 0.000 2.441 227 G HA2 0.260 4.220 3.960 -0.000 0.000 0.225 227 G HA3 0.260 4.220 3.960 -0.000 0.000 0.225 227 G C -0.717 174.176 174.900 -0.013 0.000 1.200 227 G CA -0.237 44.802 45.100 -0.103 0.000 0.947 227 G HN 0.290 nan 8.290 nan 0.000 0.484 228 V N 1.909 121.826 119.914 0.005 0.000 2.174 228 V HA 0.384 4.504 4.120 -0.000 0.000 0.259 228 V C 0.009 176.161 176.094 0.096 0.000 1.261 228 V CA 0.399 62.745 62.300 0.077 0.000 1.137 228 V CB 0.273 32.191 31.823 0.160 0.000 1.290 228 V HN 0.739 nan 8.190 nan 0.000 0.486 229 D N 2.406 122.858 120.400 0.087 0.000 2.469 229 D HA 0.115 4.755 4.640 -0.000 0.000 0.215 229 D C 0.831 177.213 176.300 0.137 0.000 1.154 229 D CA -0.677 53.381 54.000 0.096 0.000 0.832 229 D CB 0.491 41.331 40.800 0.066 0.000 1.008 229 D HN 0.191 nan 8.370 nan 0.000 0.506 230 L N 0.535 121.851 121.223 0.155 0.000 4.179 230 L HA -0.140 4.200 4.340 -0.000 0.000 0.418 230 L C 1.396 178.315 176.870 0.082 0.000 1.168 230 L CA 0.698 55.623 54.840 0.141 0.000 0.972 230 L CB -2.047 40.040 42.059 0.048 0.000 2.005 230 L HN 0.406 nan 8.230 nan 0.000 0.935 231 G N -0.334 108.550 108.800 0.140 0.000 3.356 231 G HA2 0.166 4.126 3.960 -0.000 0.000 0.239 231 G HA3 0.166 4.126 3.960 -0.000 0.000 0.239 231 G C 0.931 175.825 174.900 -0.010 0.000 1.252 231 G CA 0.531 45.660 45.100 0.049 0.000 1.611 231 G HN 0.827 nan 8.290 nan 0.000 0.580 232 H N -2.240 116.697 119.070 -0.222 0.000 3.566 232 H HA 0.267 4.823 4.556 -0.000 0.000 0.259 232 H C 0.688 175.798 175.328 -0.365 0.000 1.184 232 H CA -0.307 55.518 56.048 -0.373 0.000 1.107 232 H CB -0.173 29.358 29.762 -0.386 0.000 1.726 232 H HN 0.429 nan 8.280 nan 0.000 0.743 233 I N -0.396 119.752 120.570 -0.704 0.000 3.650 233 I HA 0.040 4.210 4.170 -0.000 0.000 0.261 233 I C 0.765 176.573 176.117 -0.515 0.000 1.154 233 I CA -0.013 60.857 61.300 -0.717 0.000 1.418 233 I CB 0.211 37.585 38.000 -1.043 0.000 1.539 233 I HN -0.056 nan 8.210 nan 0.000 0.449 234 Y N 2.226 122.461 120.300 -0.108 0.000 2.461 234 Y HA 0.450 5.000 4.550 -0.000 0.000 0.277 234 Y C 1.285 177.161 175.900 -0.040 0.000 1.182 234 Y CA 0.124 58.224 58.100 -0.001 0.000 1.276 234 Y CB -0.603 37.923 38.460 0.110 0.000 1.087 234 Y HN 0.263 nan 8.280 nan 0.000 0.519 235 G N 1.430 110.222 108.800 -0.013 0.000 2.829 235 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.628 235 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.628 235 G C -0.388 174.499 174.900 -0.022 0.000 1.412 235 G CA -0.158 44.916 45.100 -0.043 0.000 0.864 235 G HN 0.504 nan 8.290 nan 0.000 0.544 236 D N -0.450 119.919 120.400 -0.051 0.000 2.670 236 D HA 0.307 4.947 4.640 -0.000 0.000 0.255 236 D C 0.506 176.772 176.300 -0.057 0.000 1.286 236 D CA 0.185 54.153 54.000 -0.053 0.000 0.830 236 D CB -0.185 40.572 40.800 -0.073 0.000 1.065 236 D HN 0.855 nan 8.370 nan 0.000 0.486 237 N N -0.075 118.589 118.700 -0.061 0.000 2.636 237 N HA 0.019 4.759 4.740 -0.000 0.000 0.261 237 N C 0.097 175.533 175.510 -0.122 0.000 1.195 237 N CA -0.735 52.269 53.050 -0.076 0.000 0.902 237 N CB 1.328 39.778 38.487 -0.061 0.000 1.627 237 N HN -0.052 nan 8.380 nan 0.000 0.491 238 L N 1.601 122.718 121.223 -0.178 0.000 2.043 238 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 238 L C 1.833 178.433 176.870 -0.450 0.000 1.075 238 L CA 2.268 56.877 54.840 -0.385 0.000 0.752 238 L CB -0.778 41.052 42.059 -0.381 0.000 0.891 238 L HN 0.692 nan 8.230 nan 0.000 0.432 239 E N -0.370 119.726 120.200 -0.173 0.000 2.005 239 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 239 E C 2.299 178.909 176.600 0.017 0.000 1.010 239 E CA 1.729 58.124 56.400 -0.008 0.000 0.825 239 E CB -0.620 29.088 29.700 0.013 0.000 0.769 239 E HN 0.395 nan 8.360 nan 0.000 0.456 240 R N 0.618 121.110 120.500 -0.015 0.000 2.140 240 R HA -0.310 4.030 4.340 -0.000 0.000 0.250 240 R C 2.458 178.768 176.300 0.018 0.000 1.150 240 R CA 2.155 58.255 56.100 -0.001 0.000 0.966 240 R CB -0.199 30.085 30.300 -0.026 0.000 0.869 240 R HN 0.385 nan 8.270 nan 0.000 0.445 241 Q N -0.455 119.330 119.800 -0.024 0.000 1.993 241 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 241 Q C 1.889 177.933 176.000 0.073 0.000 0.984 241 Q CA 2.010 57.810 55.803 -0.006 0.000 0.837 241 Q CB -0.409 28.266 28.738 -0.105 0.000 0.902 241 Q HN 0.582 nan 8.270 nan 0.000 0.423 242 Y N 0.171 120.502 120.300 0.052 0.000 2.102 242 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 242 Y C 2.642 178.677 175.900 0.226 0.000 1.178 242 Y CA 0.918 59.157 58.100 0.232 0.000 1.146 242 Y CB -0.044 38.564 38.460 0.248 0.000 0.968 242 Y HN 0.325 nan 8.280 nan 0.000 0.504 243 Q N 0.313 120.276 119.800 0.272 0.000 2.297 243 Q HA -0.161 4.179 4.340 -0.000 0.000 0.208 243 Q C 1.809 177.884 176.000 0.125 0.000 0.981 243 Q CA 1.288 57.180 55.803 0.149 0.000 0.876 243 Q CB -0.217 28.571 28.738 0.083 0.000 0.921 243 Q HN 0.528 nan 8.270 nan 0.000 0.446 244 L N -0.914 120.383 121.223 0.123 0.000 2.463 244 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 244 L C 0.267 177.181 176.870 0.074 0.000 1.088 244 L CA -0.046 54.844 54.840 0.083 0.000 0.849 244 L CB 0.255 42.349 42.059 0.058 0.000 1.012 244 L HN -0.071 nan 8.230 nan 0.000 0.468 245 R N 0.756 121.297 120.500 0.069 0.000 2.298 245 R HA 0.103 4.443 4.340 -0.000 0.000 0.310 245 R C 0.385 176.767 176.300 0.137 0.000 1.068 245 R CA -0.257 55.776 56.100 -0.112 0.000 0.957 245 R CB 1.128 31.032 30.300 -0.661 0.000 1.003 245 R HN 0.012 nan 8.270 nan 0.000 0.454 246 L N 4.454 125.721 121.223 0.073 0.000 2.672 246 L HA 0.140 4.480 4.340 -0.000 0.000 0.236 246 L C -0.385 176.618 176.870 0.222 0.000 1.186 246 L CA 0.193 55.135 54.840 0.169 0.000 0.977 246 L CB -0.342 41.806 42.059 0.147 0.000 1.203 246 L HN 0.587 nan 8.230 nan 0.000 0.448 247 F N 0.446 120.368 119.950 -0.048 0.000 2.451 247 F HA -0.231 4.296 4.527 0.000 0.000 0.160 247 F C 0.930 176.727 175.800 -0.005 0.000 1.098 247 F CA 1.439 59.406 58.000 -0.055 0.000 0.774 247 F CB -2.042 36.895 39.000 -0.105 0.000 0.594 247 F HN 0.302 nan 8.300 nan 0.000 0.818 248 K N -0.319 120.161 120.400 0.132 0.000 2.587 248 K HA 0.537 4.857 4.320 -0.000 0.000 0.256 248 K C 0.177 176.854 176.600 0.129 0.000 0.974 248 K CA -0.417 55.945 56.287 0.125 0.000 0.855 248 K CB 0.669 33.242 32.500 0.121 0.000 1.292 248 K HN 0.028 nan 8.250 nan 0.000 0.444 249 D N 1.139 121.616 120.400 0.129 0.000 2.945 249 D HA -0.177 4.463 4.640 -0.000 0.000 0.225 249 D C 1.145 177.552 176.300 0.178 0.000 1.158 249 D CA 3.131 57.219 54.000 0.147 0.000 0.805 249 D CB -1.342 39.543 40.800 0.141 0.000 1.098 249 D HN 2.165 nan 8.370 nan 0.000 0.426 250 G N -0.644 108.255 108.800 0.164 0.000 2.212 250 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.267 250 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.267 250 G C 0.610 175.740 174.900 0.383 0.000 1.002 250 G CA 1.281 46.523 45.100 0.236 0.000 0.729 250 G HN 0.530 nan 8.290 nan 0.000 0.517 251 K N -1.352 119.209 120.400 0.269 0.000 2.273 251 K HA 0.644 4.964 4.320 -0.000 0.000 0.240 251 K C -0.011 176.682 176.600 0.155 0.000 1.056 251 K CA -0.743 55.719 56.287 0.292 0.000 0.910 251 K CB 0.492 33.132 32.500 0.233 0.000 1.196 251 K HN 0.049 nan 8.250 nan 0.000 0.509 252 L N 1.212 122.499 121.223 0.107 0.000 2.334 252 L HA 0.301 4.641 4.340 -0.000 0.000 0.273 252 L C -0.348 176.646 176.870 0.206 0.000 1.013 252 L CA -0.322 54.552 54.840 0.056 0.000 0.816 252 L CB 1.586 43.614 42.059 -0.053 0.000 1.278 252 L HN 0.402 nan 8.230 nan 0.000 0.431 253 K N 2.482 122.986 120.400 0.174 0.000 2.355 253 K HA 0.363 4.683 4.320 -0.000 0.000 0.270 253 K C -1.298 175.478 176.600 0.293 0.000 1.003 253 K CA 0.371 56.775 56.287 0.194 0.000 0.957 253 K CB 0.544 33.101 32.500 0.095 0.000 0.939 253 K HN 0.581 nan 8.250 nan 0.000 0.482 254 Y N -1.829 118.507 120.300 0.060 0.000 2.750 254 Y HA 0.287 4.837 4.550 -0.000 0.000 0.335 254 Y C -1.957 173.988 175.900 0.074 0.000 1.252 254 Y CA -1.413 56.731 58.100 0.073 0.000 1.064 254 Y CB 1.134 39.640 38.460 0.077 0.000 1.321 254 Y HN 0.551 nan 8.280 nan 0.000 0.451 255 Q N 1.888 121.793 119.800 0.174 0.000 2.289 255 Q HA 0.567 4.907 4.340 -0.000 0.000 0.270 255 Q C -1.554 174.572 176.000 0.211 0.000 1.038 255 Q CA -1.222 54.617 55.803 0.060 0.000 0.812 255 Q CB 2.581 31.331 28.738 0.019 0.000 1.300 255 Q HN 0.588 nan 8.270 nan 0.000 0.427 256 M N 3.701 123.393 119.600 0.155 0.000 2.188 256 M HA 0.402 4.882 4.480 -0.000 0.000 0.354 256 M C -0.885 175.469 176.300 0.089 0.000 1.342 256 M CA -0.037 55.375 55.300 0.186 0.000 1.117 256 M CB -0.135 32.552 32.600 0.146 0.000 1.670 256 M HN 0.690 nan 8.290 nan 0.000 0.466 257 L N 4.603 125.876 121.223 0.084 0.000 2.446 257 L HA 0.378 4.718 4.340 -0.000 0.000 0.268 257 L C 0.129 176.996 176.870 -0.006 0.000 0.975 257 L CA -0.412 54.388 54.840 -0.067 0.000 0.848 257 L CB 1.568 43.437 42.059 -0.317 0.000 1.225 257 L HN 0.782 nan 8.230 nan 0.000 0.410 258 N N 2.364 121.067 118.700 0.005 0.000 2.948 258 N HA -0.181 4.559 4.740 -0.000 0.000 0.239 258 N C 0.953 176.506 175.510 0.071 0.000 0.954 258 N CA 1.251 54.319 53.050 0.031 0.000 0.941 258 N CB -0.707 37.801 38.487 0.034 0.000 1.101 258 N HN 1.135 nan 8.380 nan 0.000 0.579 259 G N -0.649 108.203 108.800 0.087 0.000 2.175 259 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 259 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 259 G C -0.338 174.640 174.900 0.130 0.000 0.982 259 G CA 0.630 45.787 45.100 0.095 0.000 0.641 259 G HN 0.418 nan 8.290 nan 0.000 0.527 260 E N 0.124 120.446 120.200 0.203 0.000 2.195 260 E HA 0.539 4.889 4.350 -0.000 0.000 0.271 260 E C 0.289 177.082 176.600 0.321 0.000 0.923 260 E CA -0.765 55.768 56.400 0.222 0.000 0.790 260 E CB 2.416 32.272 29.700 0.260 0.000 1.155 260 E HN 0.151 nan 8.360 nan 0.000 0.402 261 V N 3.368 123.353 119.914 0.119 0.000 2.555 261 V HA 0.125 4.245 4.120 -0.000 0.000 0.286 261 V C -0.584 175.504 176.094 -0.011 0.000 1.044 261 V CA 0.250 62.640 62.300 0.149 0.000 1.026 261 V CB -0.507 31.298 31.823 -0.029 0.000 0.981 261 V HN 0.511 nan 8.190 nan 0.000 0.480 262 Y N 3.973 124.356 120.300 0.138 0.000 2.638 262 Y HA 0.539 5.089 4.550 -0.000 0.000 0.339 262 Y C -2.359 173.626 175.900 0.141 0.000 1.084 262 Y CA -2.683 55.481 58.100 0.106 0.000 1.068 262 Y CB 1.749 40.254 38.460 0.076 0.000 1.294 262 Y HN 0.402 nan 8.280 nan 0.000 0.480 263 P HA 0.094 nan 4.420 nan 0.000 0.271 263 P C -2.596 174.815 177.300 0.185 0.000 1.244 263 P CA -0.809 62.412 63.100 0.201 0.000 0.793 263 P CB 0.059 31.853 31.700 0.158 0.000 0.984 264 P HA 0.142 nan 4.420 nan 0.000 0.281 264 P C -0.741 176.598 177.300 0.065 0.000 1.281 264 P CA -0.314 62.835 63.100 0.082 0.000 0.811 264 P CB 0.909 32.646 31.700 0.060 0.000 1.154 265 S N -1.147 114.568 115.700 0.025 0.000 2.722 265 S HA 0.237 4.707 4.470 -0.000 0.000 0.292 265 S C 1.360 175.963 174.600 0.006 0.000 1.135 265 S CA -0.683 57.521 58.200 0.006 0.000 1.003 265 S CB 0.268 63.442 63.200 -0.043 0.000 1.067 265 S HN 0.181 nan 8.310 nan 0.000 0.546 266 V N 0.195 120.110 119.914 0.002 0.000 2.688 266 V HA -0.018 4.102 4.120 -0.000 0.000 0.256 266 V C 2.071 178.157 176.094 -0.014 0.000 1.084 266 V CA 2.202 64.503 62.300 0.002 0.000 1.103 266 V CB -2.237 29.586 31.823 -0.000 0.000 0.688 266 V HN 1.021 nan 8.190 nan 0.000 0.480 267 E N 0.363 120.547 120.200 -0.027 0.000 2.148 267 E HA 0.298 4.648 4.350 -0.000 0.000 0.308 267 E C 0.851 177.434 176.600 -0.027 0.000 1.278 267 E CA 0.672 57.053 56.400 -0.031 0.000 1.368 267 E CB -0.732 28.943 29.700 -0.042 0.000 1.229 267 E HN 0.731 nan 8.360 nan 0.000 0.494 268 E N -1.618 118.571 120.200 -0.018 0.000 1.160 268 E HA -0.028 4.322 4.350 -0.000 0.000 0.206 268 E C 0.275 176.877 176.600 0.002 0.000 0.973 268 E CA 0.727 57.117 56.400 -0.015 0.000 0.950 268 E CB -1.046 28.640 29.700 -0.023 0.000 4.871 268 E HN 0.832 nan 8.360 nan 0.000 0.589 269 A N 2.503 125.329 122.820 0.010 0.000 3.158 269 A HA 0.409 4.729 4.320 -0.000 0.000 0.319 269 A C -2.239 175.356 177.584 0.019 0.000 1.204 269 A CA -0.948 51.105 52.037 0.026 0.000 0.992 269 A CB 0.237 19.261 19.000 0.039 0.000 1.110 269 A HN 0.100 nan 8.150 nan 0.000 0.519 270 P HA 0.023 nan 4.420 nan 0.000 0.233 270 P C -0.214 177.088 177.300 0.002 0.000 1.576 270 P CA 0.947 64.047 63.100 0.000 0.000 0.962 270 P CB -0.075 31.621 31.700 -0.006 0.000 1.859 271 V N 3.205 123.123 119.914 0.006 0.000 2.680 271 V HA 0.251 4.371 4.120 -0.000 0.000 0.309 271 V C -0.079 176.005 176.094 -0.017 0.000 1.052 271 V CA -1.555 60.743 62.300 -0.003 0.000 0.908 271 V CB 2.338 34.163 31.823 0.002 0.000 1.001 271 V HN 0.059 nan 8.190 nan 0.000 0.431 272 L N 7.498 128.697 121.223 -0.040 0.000 2.706 272 L HA 0.070 4.410 4.340 -0.000 0.000 0.282 272 L C -0.031 176.779 176.870 -0.101 0.000 1.219 272 L CA 1.437 56.228 54.840 -0.082 0.000 0.935 272 L CB -0.189 41.816 42.059 -0.089 0.000 1.204 272 L HN 0.701 nan 8.230 nan 0.000 0.491 273 M N 4.187 123.704 119.600 -0.138 0.000 2.463 273 M HA 0.360 4.840 4.480 -0.000 0.000 0.255 273 M C 0.293 176.382 176.300 -0.353 0.000 1.010 273 M CA -0.303 54.926 55.300 -0.117 0.000 1.393 273 M CB 0.716 33.355 32.600 0.064 0.000 1.467 273 M HN 0.595 nan 8.290 nan 0.000 0.750 274 H N -1.395 117.668 119.070 -0.013 0.000 3.427 274 H HA 0.209 4.765 4.556 -0.000 0.000 0.262 274 H C -1.082 174.278 175.328 0.054 0.000 1.148 274 H CA -0.111 55.941 56.048 0.007 0.000 1.048 274 H CB 0.349 30.096 29.762 -0.025 0.000 2.325 274 H HN 0.347 nan 8.280 nan 0.000 0.768 275 Y N 3.665 124.026 120.300 0.102 0.000 2.683 275 Y HA 0.065 4.615 4.550 -0.000 0.000 0.340 275 Y C -1.332 174.616 175.900 0.080 0.000 1.245 275 Y CA -0.867 57.289 58.100 0.093 0.000 1.485 275 Y CB 0.147 38.631 38.460 0.040 0.000 1.328 275 Y HN 0.130 nan 8.280 nan 0.000 0.603 276 P HA 0.064 nan 4.420 nan 0.000 0.271 276 P C -1.026 176.314 177.300 0.068 0.000 1.218 276 P CA -0.361 62.807 63.100 0.113 0.000 0.780 276 P CB 0.581 32.301 31.700 0.033 0.000 0.901 277 R N 1.671 122.188 120.500 0.028 0.000 2.723 277 R HA 0.260 4.600 4.340 -0.000 0.000 0.358 277 R C 1.246 177.540 176.300 -0.010 0.000 0.966 277 R CA 0.645 56.748 56.100 0.005 0.000 1.022 277 R CB -0.863 29.433 30.300 -0.005 0.000 0.945 277 R HN 0.798 nan 8.270 nan 0.000 0.420 278 G N 2.178 110.968 108.800 -0.016 0.000 3.990 278 G HA2 0.074 4.034 3.960 -0.000 0.000 0.204 278 G HA3 0.074 4.034 3.960 -0.000 0.000 0.204 278 G C 0.248 175.121 174.900 -0.045 0.000 1.420 278 G CA -0.318 44.764 45.100 -0.029 0.000 0.942 278 G HN 0.403 nan 8.290 nan 0.000 0.606 279 I N 1.745 122.275 120.570 -0.066 0.000 2.914 279 I HA 0.228 4.398 4.170 -0.000 0.000 0.303 279 I C -2.394 173.640 176.117 -0.138 0.000 1.553 279 I CA -1.198 60.044 61.300 -0.095 0.000 0.799 279 I CB 2.578 40.514 38.000 -0.108 0.000 2.056 279 I HN -0.086 nan 8.210 nan 0.000 0.613 280 P HA -0.023 nan 4.420 nan 0.000 0.234 280 P C -1.916 175.309 177.300 -0.125 0.000 1.162 280 P CA 0.744 63.777 63.100 -0.112 0.000 0.759 280 P CB -0.392 31.275 31.700 -0.056 0.000 0.813 281 P HA 0.031 nan 4.420 nan 0.000 0.193 281 P C 0.460 177.679 177.300 -0.136 0.000 1.168 281 P CA 0.375 63.409 63.100 -0.109 0.000 0.844 281 P CB -0.176 31.473 31.700 -0.085 0.000 0.699 282 Q N -0.339 119.383 119.800 -0.131 0.000 2.317 282 Q HA 0.399 4.739 4.340 -0.000 0.000 0.229 282 Q C 0.539 176.425 176.000 -0.189 0.000 0.984 282 Q CA 0.180 55.901 55.803 -0.136 0.000 0.911 282 Q CB 0.028 28.702 28.738 -0.108 0.000 1.217 282 Q HN 0.148 nan 8.270 nan 0.000 0.501 283 S N 0.343 115.939 115.700 -0.174 0.000 3.358 283 S HA -0.192 4.278 4.470 -0.000 0.000 0.309 283 S C -0.445 173.934 174.600 -0.369 0.000 1.247 283 S CA 1.366 59.453 58.200 -0.189 0.000 0.961 283 S CB -0.753 62.349 63.200 -0.163 0.000 1.074 283 S HN 0.676 nan 8.310 nan 0.000 0.625 284 Q N 0.687 120.207 119.800 -0.465 0.000 2.721 284 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 284 Q C -0.416 175.417 176.000 -0.278 0.000 1.070 284 Q CA -0.114 55.103 55.803 -0.977 0.000 0.910 284 Q CB 0.404 28.741 28.738 -0.669 0.000 1.163 284 Q HN 0.617 nan 8.270 nan 0.000 0.501 285 M N 0.958 120.621 119.600 0.106 0.000 2.250 285 M HA 0.436 4.916 4.480 -0.000 0.000 0.344 285 M C 0.200 176.678 176.300 0.297 0.000 1.150 285 M CA -0.222 55.222 55.300 0.240 0.000 1.147 285 M CB 1.170 33.906 32.600 0.227 0.000 1.498 285 M HN 0.308 nan 8.290 nan 0.000 0.461 286 A N 2.218 125.130 122.820 0.153 0.000 2.305 286 A HA 0.649 4.969 4.320 -0.000 0.000 0.322 286 A C 0.542 178.159 177.584 0.055 0.000 1.187 286 A CA -0.673 51.419 52.037 0.092 0.000 0.825 286 A CB 0.624 19.661 19.000 0.061 0.000 1.164 286 A HN 0.929 nan 8.150 nan 0.000 0.498 287 V N -0.998 118.914 119.914 -0.003 0.000 3.141 287 V HA 0.667 4.787 4.120 -0.000 0.000 0.225 287 V C 1.057 177.071 176.094 -0.132 0.000 1.352 287 V CA 0.971 63.245 62.300 -0.044 0.000 1.316 287 V CB -0.217 31.585 31.823 -0.035 0.000 1.126 287 V HN 2.038 nan 8.190 nan 0.000 0.493 288 G N -0.535 108.154 108.800 -0.185 0.000 2.901 288 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.194 288 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.194 288 G C 0.098 174.795 174.900 -0.337 0.000 1.020 288 G CA 0.278 45.243 45.100 -0.225 0.000 0.787 288 G HN 0.475 nan 8.290 nan 0.000 0.477 289 Q N 1.470 120.938 119.800 -0.553 0.000 2.462 289 Q HA 0.556 4.896 4.340 -0.000 0.000 0.247 289 Q C 1.321 177.023 176.000 -0.497 0.000 1.044 289 Q CA 0.680 55.988 55.803 -0.825 0.000 0.803 289 Q CB 0.948 28.361 28.738 -2.209 0.000 1.190 289 Q HN 0.655 nan 8.270 nan 0.000 0.507 290 E N 2.338 122.407 120.200 -0.219 0.000 2.245 290 E HA -0.226 4.124 4.350 -0.000 0.000 0.217 290 E C 1.165 177.826 176.600 0.101 0.000 1.069 290 E CA 2.304 58.707 56.400 0.006 0.000 0.877 290 E CB -0.490 29.291 29.700 0.134 0.000 0.757 290 E HN 0.377 nan 8.360 nan 0.000 0.464 291 V N -0.626 119.301 119.914 0.022 0.000 3.647 291 V HA 0.230 4.350 4.120 -0.000 0.000 0.279 291 V C 0.877 177.023 176.094 0.087 0.000 1.314 291 V CA 0.105 62.421 62.300 0.027 0.000 1.125 291 V CB -0.638 31.163 31.823 -0.036 0.000 0.907 291 V HN 0.532 nan 8.190 nan 0.000 0.434 292 F N 1.065 120.858 119.950 -0.262 0.000 2.772 292 F HA 0.262 4.789 4.527 -0.000 0.000 0.302 292 F C 1.951 177.550 175.800 -0.336 0.000 1.225 292 F CA 0.442 58.257 58.000 -0.310 0.000 1.429 292 F CB -0.947 37.876 39.000 -0.296 0.000 1.104 292 F HN 0.304 nan 8.300 nan 0.000 0.550 293 G N -0.961 107.661 108.800 -0.297 0.000 2.762 293 G HA2 0.046 4.006 3.960 -0.000 0.000 0.209 293 G HA3 0.046 4.006 3.960 -0.000 0.000 0.209 293 G C 1.497 176.170 174.900 -0.378 0.000 1.134 293 G CA -0.124 44.671 45.100 -0.508 0.000 0.781 293 G HN 0.310 nan 8.290 nan 0.000 0.528 294 L N -0.013 120.993 121.223 -0.362 0.000 2.633 294 L HA 0.272 4.612 4.340 -0.000 0.000 0.235 294 L C -0.034 176.480 176.870 -0.593 0.000 1.163 294 L CA 0.560 55.122 54.840 -0.463 0.000 0.859 294 L CB -0.337 41.441 42.059 -0.468 0.000 0.973 294 L HN 0.096 nan 8.230 nan 0.000 0.451 295 L N -2.279 118.639 121.223 -0.509 0.000 2.565 295 L HA 0.257 4.597 4.340 -0.000 0.000 0.261 295 L C -2.044 174.468 176.870 -0.597 0.000 0.932 295 L CA -1.339 53.133 54.840 -0.614 0.000 0.878 295 L CB 2.056 43.830 42.059 -0.475 0.000 1.333 295 L HN -0.348 nan 8.230 nan 0.000 0.409 296 P HA -0.139 nan 4.420 nan 0.000 0.216 296 P C 1.488 178.568 177.300 -0.366 0.000 1.150 296 P CA 1.521 64.357 63.100 -0.440 0.000 0.837 296 P CB 0.312 31.767 31.700 -0.407 0.000 0.786 297 G N 0.031 108.398 108.800 -0.723 0.000 2.586 297 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 297 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 297 G C 1.336 175.957 174.900 -0.465 0.000 1.216 297 G CA 1.145 45.527 45.100 -1.197 0.000 0.786 297 G HN 0.159 nan 8.290 nan 0.000 0.583 298 L N -0.408 120.508 121.223 -0.510 0.000 1.970 298 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 298 L C 2.801 179.536 176.870 -0.224 0.000 1.071 298 L CA 2.006 56.547 54.840 -0.499 0.000 0.751 298 L CB -0.694 40.745 42.059 -1.033 0.000 0.889 298 L HN 0.232 nan 8.230 nan 0.000 0.432 299 M N -0.887 118.594 119.600 -0.198 0.000 2.195 299 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 299 M C 1.988 178.312 176.300 0.040 0.000 1.066 299 M CA 1.587 56.868 55.300 -0.032 0.000 1.089 299 M CB -0.552 32.024 32.600 -0.041 0.000 1.377 299 M HN 0.227 nan 8.290 nan 0.000 0.411 300 L N -0.608 120.617 121.223 0.002 0.000 1.943 300 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 300 L C 1.946 178.830 176.870 0.023 0.000 1.074 300 L CA 2.108 56.952 54.840 0.007 0.000 0.759 300 L CB -1.548 40.513 42.059 0.003 0.000 0.888 300 L HN 0.384 nan 8.230 nan 0.000 0.433 301 Y N 0.224 120.605 120.300 0.136 0.000 2.139 301 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 301 Y C 2.586 178.692 175.900 0.342 0.000 1.179 301 Y CA 2.088 60.322 58.100 0.224 0.000 1.161 301 Y CB -1.151 37.515 38.460 0.343 0.000 0.970 301 Y HN 0.409 nan 8.280 nan 0.000 0.511 302 A N -0.557 122.568 122.820 0.509 0.000 1.892 302 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 302 A C 2.305 180.028 177.584 0.231 0.000 1.188 302 A CA 2.581 54.855 52.037 0.395 0.000 0.631 302 A CB -1.340 17.802 19.000 0.236 0.000 0.822 302 A HN 0.469 nan 8.150 nan 0.000 0.447 303 T N 0.331 114.961 114.554 0.127 0.000 2.708 303 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 303 T C 1.807 176.492 174.700 -0.026 0.000 1.037 303 T CA 1.534 63.644 62.100 0.017 0.000 1.146 303 T CB -0.448 68.364 68.868 -0.093 0.000 0.865 303 T HN 0.449 nan 8.240 nan 0.000 0.435 304 I N -0.816 119.726 120.570 -0.046 0.000 2.163 304 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 304 I C 2.324 178.346 176.117 -0.158 0.000 1.085 304 I CA 1.560 62.764 61.300 -0.160 0.000 1.347 304 I CB -0.353 37.483 38.000 -0.273 0.000 1.044 304 I HN 0.333 nan 8.210 nan 0.000 0.408 305 W N 0.717 122.049 121.300 0.053 0.000 2.378 305 W HA -0.153 4.507 4.660 0.000 0.000 0.313 305 W C 2.519 179.059 176.519 0.035 0.000 1.197 305 W CA 0.841 58.211 57.345 0.043 0.000 1.304 305 W CB -0.580 28.892 29.460 0.019 0.000 1.148 305 W HN 0.066 nan 8.180 nan 0.000 0.494 306 L N 0.836 122.184 121.223 0.208 0.000 2.013 306 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 306 L C 2.614 179.542 176.870 0.096 0.000 1.073 306 L CA 1.915 56.825 54.840 0.117 0.000 0.753 306 L CB -0.421 41.677 42.059 0.065 0.000 0.890 306 L HN -0.036 nan 8.230 nan 0.000 0.432 307 R N -0.644 119.869 120.500 0.023 0.000 2.241 307 R HA -0.223 4.117 4.340 -0.000 0.000 0.224 307 R C 2.055 178.352 176.300 -0.005 0.000 1.101 307 R CA 1.390 57.465 56.100 -0.041 0.000 0.995 307 R CB 0.008 30.244 30.300 -0.107 0.000 0.870 307 R HN 0.533 nan 8.270 nan 0.000 0.463 308 E N -0.882 119.347 120.200 0.048 0.000 2.057 308 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 308 E C 1.612 178.317 176.600 0.175 0.000 0.969 308 E CA 1.666 58.106 56.400 0.066 0.000 0.812 308 E CB -0.362 29.352 29.700 0.024 0.000 0.777 308 E HN 0.505 nan 8.360 nan 0.000 0.455 309 H N 0.064 119.236 119.070 0.170 0.000 2.267 309 H HA -0.192 4.364 4.556 -0.000 0.000 0.291 309 H C 1.720 177.136 175.328 0.147 0.000 1.094 309 H CA 2.548 58.721 56.048 0.209 0.000 1.227 309 H CB -0.269 29.668 29.762 0.292 0.000 1.351 309 H HN 0.168 nan 8.280 nan 0.000 0.483 310 N N -0.116 118.847 118.700 0.438 0.000 2.192 310 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 310 N C 1.997 177.580 175.510 0.123 0.000 1.013 310 N CA 1.309 54.525 53.050 0.276 0.000 0.863 310 N CB -0.323 38.209 38.487 0.074 0.000 0.990 310 N HN 0.414 nan 8.380 nan 0.000 0.430 311 R N 0.400 120.949 120.500 0.082 0.000 2.075 311 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 311 R C 1.707 178.035 176.300 0.047 0.000 1.126 311 R CA 0.944 57.069 56.100 0.041 0.000 0.963 311 R CB -0.348 29.965 30.300 0.021 0.000 0.858 311 R HN 0.008 nan 8.270 nan 0.000 0.435 312 V N 0.865 120.808 119.914 0.047 0.000 2.255 312 V HA -0.396 3.724 4.120 -0.000 0.000 0.247 312 V C 2.611 178.727 176.094 0.036 0.000 1.051 312 V CA 2.107 64.426 62.300 0.033 0.000 1.018 312 V CB -0.539 31.284 31.823 -0.001 0.000 0.641 312 V HN 0.575 nan 8.190 nan 0.000 0.445 313 C N -0.041 119.277 119.300 0.030 0.000 2.375 313 C HA -0.246 4.214 4.460 -0.000 0.000 0.274 313 C C 2.489 177.532 174.990 0.088 0.000 1.190 313 C CA 1.180 60.246 59.018 0.081 0.000 1.775 313 C CB -1.321 26.503 27.740 0.140 0.000 2.067 313 C HN 0.615 nan 8.230 nan 0.000 0.463 314 D N 0.679 121.122 120.400 0.072 0.000 2.116 314 D HA -0.108 4.532 4.640 -0.000 0.000 0.193 314 D C 2.039 178.365 176.300 0.043 0.000 0.998 314 D CA 1.136 55.170 54.000 0.056 0.000 0.836 314 D CB -0.502 40.322 40.800 0.041 0.000 0.951 314 D HN 0.465 nan 8.370 nan 0.000 0.449 315 L N 0.110 121.357 121.223 0.040 0.000 1.961 315 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 315 L C 2.674 179.563 176.870 0.031 0.000 1.072 315 L CA 0.851 55.708 54.840 0.030 0.000 0.749 315 L CB -0.567 41.513 42.059 0.036 0.000 0.889 315 L HN 0.046 nan 8.230 nan 0.000 0.432 316 L N 0.184 121.444 121.223 0.061 0.000 1.997 316 L HA -0.330 4.010 4.340 -0.000 0.000 0.216 316 L C 3.227 180.123 176.870 0.043 0.000 1.074 316 L CA 2.222 57.109 54.840 0.078 0.000 0.763 316 L CB -1.086 41.065 42.059 0.152 0.000 0.890 316 L HN 0.331 nan 8.230 nan 0.000 0.434 317 K N 0.071 120.517 120.400 0.077 0.000 2.160 317 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 317 K C 2.095 178.695 176.600 -0.001 0.000 1.047 317 K CA 1.784 58.113 56.287 0.070 0.000 0.930 317 K CB -1.293 31.265 32.500 0.096 0.000 0.720 317 K HN 0.530 nan 8.250 nan 0.000 0.450 318 A N 0.368 123.176 122.820 -0.019 0.000 2.016 318 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 318 A C 2.195 179.702 177.584 -0.127 0.000 1.162 318 A CA 1.691 53.697 52.037 -0.052 0.000 0.662 318 A CB -0.041 18.939 19.000 -0.033 0.000 0.812 318 A HN 0.579 nan 8.150 nan 0.000 0.450 319 E N -0.349 119.747 120.200 -0.174 0.000 2.230 319 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 319 E C -0.312 175.833 176.600 -0.759 0.000 0.987 319 E CA 0.751 56.921 56.400 -0.383 0.000 0.841 319 E CB -0.047 29.469 29.700 -0.306 0.000 0.783 319 E HN 0.726 nan 8.360 nan 0.000 0.481 320 H N -0.779 118.004 119.070 -0.479 0.000 2.380 320 H HA 0.187 4.743 4.556 0.000 0.000 0.231 320 H C -1.933 173.196 175.328 -0.330 0.000 1.415 320 H CA -1.570 54.064 56.048 -0.689 0.000 1.433 320 H CB 1.130 29.763 29.762 -1.881 0.000 1.544 320 H HN 0.078 nan 8.280 nan 0.000 0.503 321 P HA -0.228 nan 4.420 nan 0.000 0.214 321 P C 1.533 178.885 177.300 0.085 0.000 1.163 321 P CA 1.776 64.880 63.100 0.007 0.000 0.889 321 P CB 0.022 31.713 31.700 -0.014 0.000 0.790 322 T N -5.365 109.238 114.554 0.083 0.000 3.440 322 T HA -0.068 4.282 4.350 -0.000 0.000 0.260 322 T C 0.089 174.985 174.700 0.326 0.000 1.188 322 T CA -0.281 61.915 62.100 0.160 0.000 1.020 322 T CB -1.117 67.834 68.868 0.138 0.000 0.963 322 T HN -0.045 nan 8.240 nan 0.000 0.556 323 W N 0.912 122.255 121.300 0.071 0.000 2.512 323 W HA 0.737 5.397 4.660 0.000 0.000 0.335 323 W C 0.952 177.494 176.519 0.039 0.000 1.088 323 W CA -1.346 56.029 57.345 0.050 0.000 1.236 323 W CB 1.111 30.601 29.460 0.051 0.000 1.307 323 W HN 0.232 nan 8.180 nan 0.000 0.567 324 G N 0.698 109.593 108.800 0.158 0.000 2.504 324 G HA2 0.046 4.006 3.960 -0.000 0.000 0.257 324 G HA3 0.046 4.006 3.960 -0.000 0.000 0.257 324 G C 0.050 175.004 174.900 0.090 0.000 1.451 324 G CA 0.325 45.477 45.100 0.085 0.000 1.059 324 G HN 0.478 nan 8.290 nan 0.000 0.550 325 D N -2.006 118.430 120.400 0.059 0.000 2.290 325 D HA -0.024 4.616 4.640 -0.000 0.000 0.224 325 D C 2.115 178.437 176.300 0.037 0.000 0.967 325 D CA 0.560 54.598 54.000 0.063 0.000 0.893 325 D CB 0.112 40.945 40.800 0.056 0.000 1.037 325 D HN 0.203 nan 8.370 nan 0.000 0.477 326 E N 0.560 120.762 120.200 0.002 0.000 2.065 326 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 326 E C 1.914 178.493 176.600 -0.035 0.000 1.016 326 E CA 1.145 57.549 56.400 0.006 0.000 0.818 326 E CB -0.495 29.197 29.700 -0.014 0.000 0.749 326 E HN 0.502 nan 8.360 nan 0.000 0.453 327 Q N 0.410 120.103 119.800 -0.177 0.000 1.921 327 Q HA -0.162 4.178 4.340 -0.000 0.000 0.208 327 Q C 2.501 178.352 176.000 -0.248 0.000 0.994 327 Q CA 1.842 57.401 55.803 -0.407 0.000 0.857 327 Q CB -0.396 27.836 28.738 -0.844 0.000 0.925 327 Q HN 0.236 nan 8.270 nan 0.000 0.421 328 L N -0.043 121.152 121.223 -0.048 0.000 2.082 328 L HA -0.284 4.056 4.340 -0.000 0.000 0.223 328 L C 2.462 179.382 176.870 0.083 0.000 1.086 328 L CA 1.920 56.848 54.840 0.147 0.000 0.793 328 L CB -0.837 41.357 42.059 0.224 0.000 0.896 328 L HN 0.398 nan 8.230 nan 0.000 0.441 329 F N 0.817 120.736 119.950 -0.052 0.000 2.000 329 F HA -0.231 4.296 4.527 -0.000 0.000 0.295 329 F C 2.823 178.538 175.800 -0.140 0.000 1.159 329 F CA 1.621 59.594 58.000 -0.046 0.000 1.171 329 F CB -0.598 38.347 39.000 -0.091 0.000 0.971 329 F HN 0.028 nan 8.300 nan 0.000 0.479 330 Q N 0.149 119.752 119.800 -0.329 0.000 2.156 330 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 330 Q C 2.164 177.911 176.000 -0.422 0.000 0.995 330 Q CA 2.616 58.146 55.803 -0.455 0.000 0.877 330 Q CB -1.569 27.010 28.738 -0.264 0.000 0.920 330 Q HN 0.492 nan 8.270 nan 0.000 0.416 331 T N 1.340 115.700 114.554 -0.323 0.000 2.708 331 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 331 T C 1.927 176.516 174.700 -0.185 0.000 1.037 331 T CA 1.578 63.534 62.100 -0.240 0.000 1.146 331 T CB -0.355 68.453 68.868 -0.100 0.000 0.865 331 T HN 0.467 nan 8.240 nan 0.000 0.435 332 A N 1.642 124.327 122.820 -0.225 0.000 1.933 332 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 332 A C 2.296 179.718 177.584 -0.269 0.000 1.175 332 A CA 1.798 53.677 52.037 -0.263 0.000 0.628 332 A CB -0.622 18.070 19.000 -0.513 0.000 0.814 332 A HN 0.437 nan 8.150 nan 0.000 0.444 333 R N -0.238 119.997 120.500 -0.441 0.000 2.082 333 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 333 R C 2.028 178.271 176.300 -0.096 0.000 1.136 333 R CA 1.887 57.770 56.100 -0.360 0.000 0.935 333 R CB -0.537 29.284 30.300 -0.799 0.000 0.842 333 R HN 0.496 nan 8.270 nan 0.000 0.430 334 L N 0.647 121.779 121.223 -0.152 0.000 2.043 334 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 334 L C 2.479 179.483 176.870 0.224 0.000 1.075 334 L CA 1.371 56.184 54.840 -0.045 0.000 0.752 334 L CB -0.423 41.448 42.059 -0.312 0.000 0.891 334 L HN 0.341 nan 8.230 nan 0.000 0.432 335 I N -0.489 120.228 120.570 0.244 0.000 2.700 335 I HA -0.276 3.894 4.170 -0.000 0.000 0.261 335 I C 2.110 178.422 176.117 0.326 0.000 1.219 335 I CA 1.094 62.627 61.300 0.388 0.000 1.463 335 I CB -0.088 38.065 38.000 0.255 0.000 1.092 335 I HN 0.308 nan 8.210 nan 0.000 0.452 336 L N -0.268 121.122 121.223 0.279 0.000 2.354 336 L HA 0.039 4.379 4.340 -0.000 0.000 0.212 336 L C 2.281 179.299 176.870 0.247 0.000 1.091 336 L CA 0.566 55.605 54.840 0.331 0.000 0.828 336 L CB -0.087 42.183 42.059 0.352 0.000 0.973 336 L HN 0.160 nan 8.230 nan 0.000 0.461 337 I N -0.031 120.679 120.570 0.233 0.000 2.676 337 I HA -0.114 4.056 4.170 -0.000 0.000 0.259 337 I C 2.427 178.718 176.117 0.290 0.000 1.194 337 I CA 1.084 62.512 61.300 0.215 0.000 1.473 337 I CB -0.553 37.569 38.000 0.203 0.000 1.096 337 I HN 0.214 nan 8.210 nan 0.000 0.443 338 G N 0.527 109.569 108.800 0.403 0.000 2.499 338 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.213 338 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.213 338 G C 1.420 176.531 174.900 0.351 0.000 1.230 338 G CA 0.185 45.575 45.100 0.483 0.000 0.813 338 G HN 0.302 nan 8.290 nan 0.000 0.542 339 E N -0.083 120.334 120.200 0.361 0.000 2.136 339 E HA -0.196 4.154 4.350 -0.000 0.000 0.202 339 E C 2.683 179.516 176.600 0.387 0.000 1.019 339 E CA 1.764 58.386 56.400 0.371 0.000 0.819 339 E CB -0.309 29.656 29.700 0.441 0.000 0.739 339 E HN 0.344 nan 8.360 nan 0.000 0.458 340 T N 1.177 115.943 114.554 0.354 0.000 2.701 340 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 340 T C 1.965 176.752 174.700 0.146 0.000 1.040 340 T CA 0.872 63.142 62.100 0.283 0.000 1.147 340 T CB -0.168 68.730 68.868 0.051 0.000 0.865 340 T HN 0.133 nan 8.240 nan 0.000 0.426 341 I N 0.821 121.416 120.570 0.041 0.000 2.530 341 I HA -0.168 4.002 4.170 -0.000 0.000 0.257 341 I C 2.529 178.372 176.117 -0.456 0.000 1.179 341 I CA 1.202 62.381 61.300 -0.201 0.000 1.440 341 I CB -0.280 37.537 38.000 -0.306 0.000 1.087 341 I HN 0.224 nan 8.210 nan 0.000 0.440 342 K N 1.624 121.865 120.400 -0.265 0.000 2.029 342 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 342 K C 2.176 178.809 176.600 0.054 0.000 1.042 342 K CA 1.003 57.228 56.287 -0.104 0.000 0.949 342 K CB 0.040 32.676 32.500 0.227 0.000 0.740 342 K HN 0.149 nan 8.250 nan 0.000 0.442 343 I N 1.318 121.975 120.570 0.146 0.000 2.208 343 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 343 I C 2.257 178.452 176.117 0.130 0.000 1.097 343 I CA 0.963 62.373 61.300 0.183 0.000 1.363 343 I CB -0.272 37.917 38.000 0.315 0.000 1.051 343 I HN 0.017 nan 8.210 nan 0.000 0.413 344 V N 1.143 121.064 119.914 0.012 0.000 2.287 344 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 344 V C 2.254 178.357 176.094 0.015 0.000 1.053 344 V CA 2.008 64.199 62.300 -0.182 0.000 1.027 344 V CB -0.351 31.198 31.823 -0.456 0.000 0.646 344 V HN 0.330 nan 8.190 nan 0.000 0.447 345 I N -0.505 120.071 120.570 0.009 0.000 2.188 345 I HA -0.144 4.026 4.170 -0.000 0.000 0.237 345 I C 2.377 178.562 176.117 0.114 0.000 1.073 345 I CA 1.345 62.689 61.300 0.072 0.000 1.359 345 I CB -0.385 37.649 38.000 0.057 0.000 1.083 345 I HN 0.289 nan 8.210 nan 0.000 0.412 346 E N 0.310 120.584 120.200 0.124 0.000 2.515 346 E HA -0.157 4.193 4.350 -0.000 0.000 0.201 346 E C 1.159 177.826 176.600 0.112 0.000 1.071 346 E CA 0.702 57.174 56.400 0.119 0.000 0.880 346 E CB 0.179 29.959 29.700 0.133 0.000 0.828 346 E HN 0.582 nan 8.360 nan 0.000 0.540 347 E N -1.413 118.882 120.200 0.159 0.000 2.879 347 E HA -0.010 4.340 4.350 -0.000 0.000 0.206 347 E C 1.247 178.083 176.600 0.392 0.000 0.969 347 E CA -0.157 56.370 56.400 0.211 0.000 1.496 347 E CB -0.098 29.689 29.700 0.145 0.000 1.454 347 E HN 0.090 nan 8.360 nan 0.000 0.750 348 Y N 2.098 122.556 120.300 0.263 0.000 2.109 348 Y HA -0.193 4.357 4.550 -0.000 0.000 0.285 348 Y C 2.140 178.083 175.900 0.072 0.000 1.131 348 Y CA 1.620 59.788 58.100 0.114 0.000 1.121 348 Y CB -0.088 38.249 38.460 -0.205 0.000 0.987 348 Y HN -0.190 nan 8.280 nan 0.000 0.495 349 V N 0.702 120.792 119.914 0.293 0.000 2.594 349 V HA -0.272 3.848 4.120 -0.000 0.000 0.253 349 V C 2.166 178.227 176.094 -0.055 0.000 1.069 349 V CA 1.868 64.248 62.300 0.132 0.000 1.082 349 V CB -0.843 31.075 31.823 0.158 0.000 0.680 349 V HN 0.397 nan 8.190 nan 0.000 0.469 350 Q N 0.794 120.581 119.800 -0.022 0.000 1.917 350 Q HA -0.265 4.075 4.340 -0.000 0.000 0.205 350 Q C 2.304 178.180 176.000 -0.206 0.000 0.988 350 Q CA 2.450 58.193 55.803 -0.101 0.000 0.851 350 Q CB -0.650 28.071 28.738 -0.028 0.000 0.916 350 Q HN 0.577 nan 8.270 nan 0.000 0.424 351 Q N -0.208 119.492 119.800 -0.167 0.000 2.103 351 Q HA -0.225 4.115 4.340 -0.000 0.000 0.213 351 Q C 1.880 177.624 176.000 -0.427 0.000 1.008 351 Q CA 2.199 57.837 55.803 -0.275 0.000 0.879 351 Q CB -0.926 27.678 28.738 -0.223 0.000 0.946 351 Q HN 0.466 nan 8.270 nan 0.000 0.413 352 L N 0.250 121.191 121.223 -0.471 0.000 1.971 352 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 352 L C 2.595 179.171 176.870 -0.490 0.000 1.072 352 L CA 2.461 56.978 54.840 -0.538 0.000 0.758 352 L CB -1.329 40.506 42.059 -0.373 0.000 0.889 352 L HN 0.558 nan 8.230 nan 0.000 0.433 353 S N -0.817 114.604 115.700 -0.465 0.000 2.359 353 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 353 S C 1.797 176.094 174.600 -0.504 0.000 1.038 353 S CA 1.678 59.474 58.200 -0.673 0.000 1.051 353 S CB -1.018 61.439 63.200 -1.238 0.000 0.944 353 S HN 0.877 nan 8.310 nan 0.000 0.433 354 G N -0.494 108.042 108.800 -0.441 0.000 2.175 354 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 354 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 354 G C 0.133 174.832 174.900 -0.335 0.000 0.982 354 G CA 0.151 45.036 45.100 -0.358 0.000 0.641 354 G HN 0.666 nan 8.290 nan 0.000 0.527 355 Y N -1.199 118.860 120.300 -0.402 0.000 2.511 355 Y HA 0.344 4.894 4.550 -0.000 0.000 0.347 355 Y C 1.541 177.086 175.900 -0.592 0.000 1.257 355 Y CA -0.242 57.572 58.100 -0.477 0.000 1.469 355 Y CB 0.284 38.520 38.460 -0.372 0.000 1.353 355 Y HN -0.004 nan 8.280 nan 0.000 0.617 356 F N 0.330 119.981 119.950 -0.498 0.000 2.717 356 F HA 0.097 4.624 4.527 0.000 0.000 0.295 356 F C 0.396 175.901 175.800 -0.491 0.000 1.117 356 F CA -0.210 57.502 58.000 -0.480 0.000 1.361 356 F CB 0.258 38.905 39.000 -0.587 0.000 1.112 356 F HN 0.234 nan 8.300 nan 0.000 0.594 357 L N 1.367 122.231 121.223 -0.598 0.000 2.416 357 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 357 L C 0.412 177.214 176.870 -0.113 0.000 1.161 357 L CA 0.134 54.734 54.840 -0.400 0.000 0.845 357 L CB 0.428 42.154 42.059 -0.554 0.000 1.119 357 L HN 0.160 nan 8.230 nan 0.000 0.464 358 Q N 4.976 124.764 119.800 -0.020 0.000 2.566 358 Q HA 0.315 4.655 4.340 -0.000 0.000 0.221 358 Q C -0.592 175.423 176.000 0.026 0.000 1.195 358 Q CA -0.423 55.385 55.803 0.008 0.000 0.967 358 Q CB 0.074 28.830 28.738 0.031 0.000 1.337 358 Q HN 0.759 nan 8.270 nan 0.000 0.553 359 L N 2.752 123.997 121.223 0.037 0.000 2.613 359 L HA -0.109 4.231 4.340 -0.000 0.000 0.304 359 L C 0.204 177.118 176.870 0.073 0.000 1.266 359 L CA 1.067 55.944 54.840 0.062 0.000 0.868 359 L CB -0.014 42.089 42.059 0.072 0.000 1.111 359 L HN 0.533 nan 8.230 nan 0.000 0.515 360 K N 2.607 123.058 120.400 0.085 0.000 2.498 360 K HA 0.358 4.678 4.320 -0.000 0.000 0.254 360 K C -1.607 175.085 176.600 0.153 0.000 0.933 360 K CA -0.746 55.602 56.287 0.102 0.000 0.806 360 K CB 1.798 34.328 32.500 0.050 0.000 1.301 360 K HN 0.287 nan 8.250 nan 0.000 0.432 361 F N 4.320 124.283 119.950 0.020 0.000 2.308 361 F HA 0.370 4.897 4.527 -0.000 0.000 0.370 361 F C -1.128 174.659 175.800 -0.022 0.000 1.100 361 F CA -0.876 57.126 58.000 0.003 0.000 1.108 361 F CB 0.794 39.823 39.000 0.049 0.000 1.293 361 F HN 0.531 nan 8.300 nan 0.000 0.478 362 D N 8.423 128.524 120.400 -0.497 0.000 2.330 362 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 362 D C -2.216 173.680 176.300 -0.672 0.000 1.306 362 D CA -2.218 51.434 54.000 -0.580 0.000 0.956 362 D CB 1.800 42.431 40.800 -0.283 0.000 1.261 362 D HN 0.189 nan 8.370 nan 0.000 0.544 363 P HA -0.177 nan 4.420 nan 0.000 0.218 363 P C 0.813 177.583 177.300 -0.883 0.000 1.147 363 P CA 1.156 63.732 63.100 -0.874 0.000 0.827 363 P CB 0.351 31.173 31.700 -1.464 0.000 0.778 364 E N -0.846 118.708 120.200 -1.076 0.000 2.268 364 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 364 E C 1.809 178.024 176.600 -0.640 0.000 0.995 364 E CA 0.517 56.056 56.400 -1.436 0.000 0.836 364 E CB -0.502 28.722 29.700 -0.795 0.000 0.763 364 E HN 0.331 nan 8.360 nan 0.000 0.491 365 L N 0.335 121.323 121.223 -0.391 0.000 2.265 365 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 365 L C 1.942 178.738 176.870 -0.124 0.000 1.117 365 L CA 0.836 55.559 54.840 -0.195 0.000 0.782 365 L CB -0.155 41.807 42.059 -0.161 0.000 0.914 365 L HN 0.186 nan 8.230 nan 0.000 0.441 366 L N -2.308 118.844 121.223 -0.118 0.000 2.640 366 L HA 0.082 4.422 4.340 -0.000 0.000 0.230 366 L C 1.917 178.933 176.870 0.243 0.000 1.123 366 L CA -0.130 54.702 54.840 -0.013 0.000 0.900 366 L CB -0.098 41.880 42.059 -0.136 0.000 1.146 366 L HN 0.138 nan 8.230 nan 0.000 0.484 367 F N 0.697 120.683 119.950 0.060 0.000 2.287 367 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 367 F C 2.035 177.887 175.800 0.088 0.000 1.069 367 F CA 0.690 58.752 58.000 0.104 0.000 1.372 367 F CB 0.068 39.122 39.000 0.089 0.000 1.056 367 F HN 0.253 nan 8.300 nan 0.000 0.523 368 G N -0.762 108.183 108.800 0.242 0.000 3.233 368 G HA2 0.434 4.394 3.960 -0.000 0.000 0.234 368 G HA3 0.434 4.394 3.960 -0.000 0.000 0.234 368 G C 0.308 175.268 174.900 0.100 0.000 1.137 368 G CA 0.405 45.592 45.100 0.144 0.000 0.763 368 G HN 0.278 nan 8.290 nan 0.000 0.549 369 A N -0.220 122.663 122.820 0.106 0.000 2.298 369 A HA 0.753 5.073 4.320 -0.000 0.000 0.302 369 A C -0.109 177.536 177.584 0.101 0.000 1.177 369 A CA -0.561 51.519 52.037 0.071 0.000 0.912 369 A CB 0.652 19.664 19.000 0.020 0.000 1.331 369 A HN 0.217 nan 8.150 nan 0.000 0.504 370 Q N -0.166 119.689 119.800 0.090 0.000 2.466 370 Q HA 0.491 4.831 4.340 -0.000 0.000 0.242 370 Q C -1.994 174.099 176.000 0.156 0.000 1.046 370 Q CA 0.103 55.962 55.803 0.094 0.000 0.841 370 Q CB 1.255 30.025 28.738 0.053 0.000 1.193 370 Q HN 0.465 nan 8.270 nan 0.000 0.508 371 F N 1.860 121.748 119.950 -0.103 0.000 2.561 371 F HA 0.278 4.805 4.527 0.000 0.000 0.313 371 F C -0.901 174.682 175.800 -0.362 0.000 1.126 371 F CA -0.813 57.047 58.000 -0.234 0.000 0.918 371 F CB 1.833 40.650 39.000 -0.304 0.000 1.199 371 F HN 0.242 nan 8.300 nan 0.000 0.444 372 Q N 5.704 125.051 119.800 -0.756 0.000 2.322 372 Q HA 0.142 4.482 4.340 -0.000 0.000 0.256 372 Q C -1.241 174.239 176.000 -0.868 0.000 0.960 372 Q CA -0.214 55.230 55.803 -0.598 0.000 0.934 372 Q CB 0.823 29.341 28.738 -0.365 0.000 1.200 372 Q HN 0.628 nan 8.270 nan 0.000 0.435 373 Y N 3.046 123.166 120.300 -0.300 0.000 2.568 373 Y HA 0.152 4.702 4.550 -0.000 0.000 0.338 373 Y C 0.843 176.635 175.900 -0.180 0.000 1.245 373 Y CA -0.131 57.834 58.100 -0.224 0.000 1.667 373 Y CB 0.186 38.582 38.460 -0.107 0.000 1.568 373 Y HN 0.368 nan 8.280 nan 0.000 0.471 374 R N 2.166 122.571 120.500 -0.159 0.000 2.808 374 R HA 0.251 4.591 4.340 -0.000 0.000 0.254 374 R C -2.293 173.933 176.300 -0.124 0.000 1.145 374 R CA -0.438 55.605 56.100 -0.094 0.000 1.066 374 R CB 0.784 31.041 30.300 -0.072 0.000 1.268 374 R HN 0.605 nan 8.270 nan 0.000 0.447 375 N N 1.656 120.310 118.700 -0.076 0.000 2.453 375 N HA 0.596 5.336 4.740 -0.000 0.000 0.290 375 N C -1.480 173.969 175.510 -0.102 0.000 1.250 375 N CA -0.912 52.091 53.050 -0.078 0.000 0.815 375 N CB 1.912 40.370 38.487 -0.049 0.000 1.381 375 N HN 0.580 nan 8.380 nan 0.000 0.510 376 R N 2.633 123.050 120.500 -0.138 0.000 2.867 376 R HA 0.232 4.572 4.340 -0.000 0.000 0.288 376 R C -1.239 174.975 176.300 -0.142 0.000 1.360 376 R CA -0.488 55.390 56.100 -0.370 0.000 1.042 376 R CB -0.127 29.902 30.300 -0.451 0.000 1.287 376 R HN 0.417 nan 8.270 nan 0.000 0.404 377 I N 3.154 123.790 120.570 0.110 0.000 2.919 377 I HA 0.062 4.232 4.170 -0.000 0.000 0.303 377 I C 0.930 177.102 176.117 0.092 0.000 1.221 377 I CA 0.676 62.083 61.300 0.178 0.000 1.444 377 I CB -0.263 37.910 38.000 0.288 0.000 1.331 377 I HN 0.770 nan 8.210 nan 0.000 0.572 378 A N 7.107 129.891 122.820 -0.059 0.000 2.294 378 A HA 0.604 4.924 4.320 -0.000 0.000 0.330 378 A C 1.059 178.501 177.584 -0.237 0.000 1.133 378 A CA -0.744 51.209 52.037 -0.141 0.000 0.836 378 A CB 1.159 19.970 19.000 -0.314 0.000 1.190 378 A HN 0.806 nan 8.150 nan 0.000 0.492 379 M N -0.414 119.081 119.600 -0.174 0.000 2.236 379 M HA -0.005 4.475 4.480 -0.000 0.000 0.266 379 M C 0.994 177.162 176.300 -0.220 0.000 1.070 379 M CA 1.909 57.067 55.300 -0.237 0.000 1.137 379 M CB -0.783 31.779 32.600 -0.063 0.000 1.378 379 M HN 0.696 nan 8.290 nan 0.000 0.426 380 E N 1.081 121.158 120.200 -0.204 0.000 2.150 380 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 380 E C 1.695 178.288 176.600 -0.012 0.000 0.985 380 E CA 1.136 57.336 56.400 -0.334 0.000 0.814 380 E CB -0.472 28.978 29.700 -0.416 0.000 0.752 380 E HN 0.514 nan 8.360 nan 0.000 0.466 381 F N 1.867 121.586 119.950 -0.384 0.000 2.186 381 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 381 F C 1.779 177.554 175.800 -0.042 0.000 1.090 381 F CA 1.142 58.951 58.000 -0.317 0.000 1.307 381 F CB -0.440 38.064 39.000 -0.826 0.000 1.019 381 F HN 0.021 nan 8.300 nan 0.000 0.489 382 N N 0.306 118.849 118.700 -0.262 0.000 2.028 382 N HA -0.208 4.532 4.740 -0.000 0.000 0.194 382 N C 1.807 177.095 175.510 -0.369 0.000 1.050 382 N CA 1.715 54.317 53.050 -0.746 0.000 0.848 382 N CB -0.329 37.792 38.487 -0.609 0.000 1.038 382 N HN 0.380 nan 8.380 nan 0.000 0.423 383 Q N 1.146 120.894 119.800 -0.088 0.000 2.047 383 Q HA -0.226 4.114 4.340 -0.000 0.000 0.211 383 Q C 2.310 178.541 176.000 0.385 0.000 1.005 383 Q CA 1.625 57.510 55.803 0.136 0.000 0.866 383 Q CB -0.906 27.961 28.738 0.215 0.000 0.938 383 Q HN 0.548 nan 8.270 nan 0.000 0.414 384 L N -0.580 120.918 121.223 0.459 0.000 2.189 384 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 384 L C 1.773 178.810 176.870 0.280 0.000 1.097 384 L CA 1.406 56.492 54.840 0.411 0.000 0.764 384 L CB -0.286 42.047 42.059 0.456 0.000 0.900 384 L HN 0.239 nan 8.230 nan 0.000 0.436 385 Y N -0.651 119.562 120.300 -0.146 0.000 2.462 385 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 385 Y C 0.217 175.682 175.900 -0.725 0.000 1.195 385 Y CA -0.540 57.131 58.100 -0.715 0.000 1.276 385 Y CB 0.016 37.947 38.460 -0.882 0.000 1.082 385 Y HN 0.276 nan 8.280 nan 0.000 0.514 386 H N -0.145 118.949 119.070 0.039 0.000 2.855 386 H HA -0.001 4.555 4.556 -0.000 0.000 0.238 386 H C -0.673 174.974 175.328 0.532 0.000 1.847 386 H CA -0.164 56.023 56.048 0.232 0.000 1.368 386 H CB -0.554 29.349 29.762 0.234 0.000 1.758 386 H HN 0.285 nan 8.280 nan 0.000 0.546 387 W N 1.452 122.892 121.300 0.233 0.000 2.237 387 W HA 0.114 4.774 4.660 0.000 0.000 0.420 387 W C 0.406 176.991 176.519 0.111 0.000 0.635 387 W CA -0.763 56.702 57.345 0.201 0.000 2.255 387 W CB -1.211 28.386 29.460 0.229 0.000 1.432 387 W HN 0.690 nan 8.180 nan 0.000 0.643 388 H N 1.254 120.546 119.070 0.370 0.000 2.456 388 H HA -0.107 4.449 4.556 0.000 0.000 0.296 388 H C -0.229 175.239 175.328 0.233 0.000 1.079 388 H CA 1.712 57.919 56.048 0.265 0.000 1.322 388 H CB -1.141 28.758 29.762 0.228 0.000 1.388 388 H HN 0.028 nan 8.280 nan 0.000 0.538 389 P HA -0.087 nan 4.420 nan 0.000 0.239 389 P C 0.956 178.336 177.300 0.134 0.000 1.184 389 P CA 0.836 64.049 63.100 0.189 0.000 0.760 389 P CB 0.017 31.788 31.700 0.119 0.000 0.884 390 L N -1.649 119.669 121.223 0.158 0.000 2.275 390 L HA -0.019 4.321 4.340 -0.000 0.000 0.215 390 L C 1.546 178.469 176.870 0.088 0.000 1.119 390 L CA 0.513 55.419 54.840 0.110 0.000 0.790 390 L CB -0.595 41.563 42.059 0.165 0.000 0.919 390 L HN 0.004 nan 8.230 nan 0.000 0.443 391 M N 1.354 121.029 119.600 0.126 0.000 2.238 391 M HA 0.128 4.608 4.480 -0.000 0.000 0.350 391 M C -1.741 174.656 176.300 0.161 0.000 1.321 391 M CA -1.787 53.582 55.300 0.115 0.000 1.097 391 M CB 0.021 32.783 32.600 0.271 0.000 1.713 391 M HN -0.158 nan 8.290 nan 0.000 0.455 392 P HA 0.125 nan 4.420 nan 0.000 0.312 392 P C -0.116 177.208 177.300 0.041 0.000 1.307 392 P CA 0.075 63.140 63.100 -0.059 0.000 0.738 392 P CB 0.915 32.360 31.700 -0.426 0.000 1.422 393 D N -1.839 118.488 120.400 -0.121 0.000 2.369 393 D HA 0.039 4.679 4.640 -0.000 0.000 0.231 393 D C 0.967 177.376 176.300 0.182 0.000 0.967 393 D CA 1.066 55.076 54.000 0.017 0.000 0.905 393 D CB -0.026 40.704 40.800 -0.117 0.000 1.044 393 D HN 0.449 nan 8.370 nan 0.000 0.487 394 S N -1.162 114.547 115.700 0.015 0.000 2.732 394 S HA 0.660 5.130 4.470 -0.000 0.000 0.293 394 S C -1.222 173.323 174.600 -0.091 0.000 1.159 394 S CA -0.871 57.450 58.200 0.201 0.000 0.847 394 S CB 1.298 64.597 63.200 0.165 0.000 1.169 394 S HN -0.108 nan 8.310 nan 0.000 0.501 395 F N 0.443 120.403 119.950 0.016 0.000 2.430 395 F HA 0.671 5.198 4.527 -0.000 0.000 0.362 395 F C 0.939 176.778 175.800 0.065 0.000 1.103 395 F CA -0.746 57.233 58.000 -0.034 0.000 1.045 395 F CB 0.949 39.747 39.000 -0.337 0.000 1.276 395 F HN 0.918 nan 8.300 nan 0.000 0.444 396 R N 1.329 121.906 120.500 0.128 0.000 2.267 396 R HA 0.687 5.027 4.340 -0.000 0.000 0.319 396 R C -0.797 175.538 176.300 0.058 0.000 1.067 396 R CA -0.335 55.808 56.100 0.072 0.000 0.936 396 R CB 0.469 30.771 30.300 0.002 0.000 1.006 396 R HN 0.534 nan 8.270 nan 0.000 0.452 397 V N 3.113 123.045 119.914 0.029 0.000 2.361 397 V HA 0.577 4.697 4.120 -0.000 0.000 0.252 397 V C 1.180 177.202 176.094 -0.119 0.000 0.986 397 V CA 0.347 62.562 62.300 -0.140 0.000 1.033 397 V CB -0.407 31.221 31.823 -0.324 0.000 1.282 397 V HN 1.628 nan 8.190 nan 0.000 0.514 398 G N 4.088 112.851 108.800 -0.063 0.000 2.545 398 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.240 398 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.240 398 G C -0.893 174.005 174.900 -0.002 0.000 1.172 398 G CA 0.208 45.295 45.100 -0.021 0.000 0.949 398 G HN 0.444 nan 8.290 nan 0.000 0.574 399 P HA 0.278 nan 4.420 nan 0.000 0.220 399 P C 1.177 178.469 177.300 -0.013 0.000 1.152 399 P CA 2.344 65.449 63.100 0.009 0.000 0.812 399 P CB -0.424 31.291 31.700 0.025 0.000 0.792 400 Q N 1.021 120.820 119.800 -0.002 0.000 2.454 400 Q HA 0.158 4.498 4.340 -0.000 0.000 0.247 400 Q C -0.293 175.599 176.000 -0.179 0.000 1.028 400 Q CA 0.687 56.417 55.803 -0.122 0.000 0.910 400 Q CB -0.364 28.332 28.738 -0.069 0.000 1.276 400 Q HN 0.258 nan 8.270 nan 0.000 0.489 401 D N -0.750 119.456 120.400 -0.324 0.000 2.968 401 D HA 0.297 4.937 4.640 -0.000 0.000 0.301 401 D C -1.366 174.870 176.300 -0.106 0.000 1.226 401 D CA -0.287 53.627 54.000 -0.144 0.000 0.746 401 D CB -0.353 40.411 40.800 -0.059 0.000 1.278 401 D HN 0.569 nan 8.370 nan 0.000 0.544 402 Y N 0.530 120.958 120.300 0.214 0.000 2.812 402 Y HA 0.079 4.629 4.550 -0.000 0.000 0.348 402 Y C 1.671 177.754 175.900 0.304 0.000 1.274 402 Y CA 0.205 58.457 58.100 0.254 0.000 1.489 402 Y CB 0.370 39.013 38.460 0.304 0.000 1.348 402 Y HN 0.199 nan 8.280 nan 0.000 0.646 403 S N 0.003 115.977 115.700 0.457 0.000 2.786 403 S HA 0.354 4.824 4.470 -0.000 0.000 0.307 403 S C 0.478 175.376 174.600 0.496 0.000 1.121 403 S CA -0.833 57.656 58.200 0.482 0.000 0.975 403 S CB 0.408 63.828 63.200 0.366 0.000 1.220 403 S HN 0.646 nan 8.310 nan 0.000 0.550 404 Y N 0.485 120.944 120.300 0.265 0.000 2.224 404 Y HA -0.083 4.467 4.550 -0.000 0.000 0.289 404 Y C 3.225 179.193 175.900 0.113 0.000 1.146 404 Y CA 1.737 59.920 58.100 0.139 0.000 1.182 404 Y CB -0.718 37.644 38.460 -0.163 0.000 0.983 404 Y HN 0.936 nan 8.280 nan 0.000 0.524 405 E N 0.660 121.018 120.200 0.263 0.000 2.031 405 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 405 E C 1.759 178.482 176.600 0.204 0.000 0.994 405 E CA 1.728 58.247 56.400 0.199 0.000 0.800 405 E CB -0.876 28.922 29.700 0.163 0.000 0.752 405 E HN 0.660 nan 8.360 nan 0.000 0.447 406 Q N -1.741 118.208 119.800 0.250 0.000 2.170 406 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 406 Q C 2.030 178.141 176.000 0.184 0.000 0.976 406 Q CA 1.442 57.404 55.803 0.264 0.000 0.858 406 Q CB -0.145 28.871 28.738 0.464 0.000 0.907 406 Q HN 0.589 nan 8.270 nan 0.000 0.433 407 F N 0.818 120.744 119.950 -0.040 0.000 2.092 407 F HA 0.079 4.606 4.527 -0.000 0.000 0.286 407 F C 0.710 176.360 175.800 -0.250 0.000 1.116 407 F CA 0.123 57.960 58.000 -0.271 0.000 1.185 407 F CB -0.212 38.368 39.000 -0.700 0.000 1.034 407 F HN -0.124 nan 8.300 nan 0.000 0.479 408 L N 1.569 122.715 121.223 -0.129 0.000 2.605 408 L HA -0.207 4.133 4.340 -0.000 0.000 0.296 408 L C 0.554 177.375 176.870 -0.082 0.000 1.255 408 L CA 0.364 55.043 54.840 -0.268 0.000 0.879 408 L CB -0.387 41.667 42.059 -0.009 0.000 1.124 408 L HN 0.453 nan 8.230 nan 0.000 0.507 409 F N -0.664 119.181 119.950 -0.174 0.000 2.993 409 F HA -0.360 4.167 4.527 0.000 0.000 0.323 409 F C 1.359 177.089 175.800 -0.116 0.000 0.708 409 F CA 1.053 58.986 58.000 -0.112 0.000 1.007 409 F CB -1.821 37.154 39.000 -0.043 0.000 1.432 409 F HN 0.753 nan 8.300 nan 0.000 0.336 410 N N 1.441 120.102 118.700 -0.065 0.000 2.239 410 N HA -0.006 4.734 4.740 -0.000 0.000 0.225 410 N C 1.002 176.468 175.510 -0.074 0.000 1.283 410 N CA 1.819 54.814 53.050 -0.092 0.000 0.868 410 N CB 0.659 39.008 38.487 -0.231 0.000 1.098 410 N HN 0.368 nan 8.380 nan 0.000 0.436 411 T N -2.637 111.888 114.554 -0.047 0.000 3.475 411 T HA 0.195 4.545 4.350 -0.000 0.000 0.310 411 T C 0.565 175.236 174.700 -0.048 0.000 0.963 411 T CA -0.018 62.076 62.100 -0.009 0.000 0.985 411 T CB -0.668 68.222 68.868 0.036 0.000 1.198 411 T HN 0.478 nan 8.240 nan 0.000 0.508 412 S N -0.352 115.299 115.700 -0.082 0.000 2.560 412 S HA 0.240 4.710 4.470 -0.000 0.000 0.281 412 S C 1.594 176.135 174.600 -0.098 0.000 1.075 412 S CA 0.071 58.215 58.200 -0.094 0.000 1.295 412 S CB -0.324 62.816 63.200 -0.101 0.000 1.156 412 S HN 0.200 nan 8.310 nan 0.000 0.627 413 M N 1.292 120.827 119.600 -0.108 0.000 2.108 413 M HA -0.116 4.364 4.480 -0.000 0.000 0.257 413 M C 1.966 178.312 176.300 0.077 0.000 1.071 413 M CA 1.877 57.150 55.300 -0.045 0.000 1.093 413 M CB -0.291 32.262 32.600 -0.078 0.000 1.345 413 M HN 0.473 nan 8.290 nan 0.000 0.403 414 L N 0.029 121.276 121.223 0.040 0.000 1.970 414 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 414 L C 2.103 179.073 176.870 0.166 0.000 1.071 414 L CA 1.910 56.821 54.840 0.119 0.000 0.751 414 L CB -1.127 41.002 42.059 0.117 0.000 0.889 414 L HN 0.228 nan 8.230 nan 0.000 0.432 415 V N 0.340 120.277 119.914 0.039 0.000 2.871 415 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 415 V C 2.567 178.630 176.094 -0.052 0.000 1.082 415 V CA 1.418 63.666 62.300 -0.087 0.000 1.105 415 V CB -1.595 30.012 31.823 -0.361 0.000 0.713 415 V HN 0.682 nan 8.190 nan 0.000 0.473 416 D N -1.092 119.265 120.400 -0.072 0.000 2.084 416 D HA -0.210 4.430 4.640 -0.000 0.000 0.199 416 D C 1.932 178.167 176.300 -0.108 0.000 0.981 416 D CA 1.532 55.440 54.000 -0.153 0.000 0.841 416 D CB -0.685 39.943 40.800 -0.288 0.000 0.997 416 D HN 0.520 nan 8.370 nan 0.000 0.454 417 Y N 0.470 120.777 120.300 0.012 0.000 2.184 417 Y HA 0.342 4.892 4.550 -0.000 0.000 0.290 417 Y C 1.898 177.820 175.900 0.036 0.000 1.129 417 Y CA 1.110 59.224 58.100 0.023 0.000 1.144 417 Y CB 0.105 38.568 38.460 0.006 0.000 0.995 417 Y HN 0.615 nan 8.280 nan 0.000 0.513 418 G N -0.808 108.131 108.800 0.232 0.000 2.911 418 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 418 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 418 G C 0.217 175.173 174.900 0.093 0.000 1.136 418 G CA -0.509 44.698 45.100 0.178 0.000 0.764 418 G HN 0.056 nan 8.290 nan 0.000 0.626 419 V N 2.338 122.272 119.914 0.033 0.000 2.222 419 V HA -0.283 3.837 4.120 -0.000 0.000 0.252 419 V C 2.789 178.857 176.094 -0.043 0.000 1.060 419 V CA 3.288 65.561 62.300 -0.044 0.000 1.027 419 V CB -0.927 30.821 31.823 -0.124 0.000 0.644 419 V HN 0.945 nan 8.190 nan 0.000 0.448 420 E N 0.360 120.541 120.200 -0.031 0.000 2.082 420 E HA -0.325 4.025 4.350 -0.000 0.000 0.215 420 E C 2.205 178.792 176.600 -0.022 0.000 1.048 420 E CA 2.180 58.566 56.400 -0.023 0.000 0.869 420 E CB -0.836 28.862 29.700 -0.003 0.000 0.773 420 E HN 0.618 nan 8.360 nan 0.000 0.466 421 A N 0.286 123.104 122.820 -0.003 0.000 1.933 421 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 421 A C 2.250 179.756 177.584 -0.131 0.000 1.175 421 A CA 1.330 53.352 52.037 -0.026 0.000 0.628 421 A CB -0.576 18.451 19.000 0.045 0.000 0.814 421 A HN 0.223 nan 8.150 nan 0.000 0.444 422 L N -0.689 120.443 121.223 -0.151 0.000 2.240 422 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 422 L C 2.430 179.060 176.870 -0.400 0.000 1.106 422 L CA 0.594 55.216 54.840 -0.364 0.000 0.793 422 L CB -0.273 41.644 42.059 -0.236 0.000 0.927 422 L HN 0.269 nan 8.230 nan 0.000 0.446 423 V N 0.025 119.863 119.914 -0.126 0.000 2.283 423 V HA -0.311 3.809 4.120 -0.000 0.000 0.243 423 V C 2.141 178.255 176.094 0.034 0.000 1.039 423 V CA 2.171 64.480 62.300 0.014 0.000 1.016 423 V CB -0.354 31.455 31.823 -0.023 0.000 0.650 423 V HN 0.474 nan 8.190 nan 0.000 0.449 424 D N 0.201 120.600 120.400 -0.002 0.000 2.158 424 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 424 D C 2.017 178.344 176.300 0.044 0.000 0.995 424 D CA 1.600 55.639 54.000 0.064 0.000 0.846 424 D CB -0.100 40.723 40.800 0.039 0.000 0.941 424 D HN 0.409 nan 8.370 nan 0.000 0.456 425 A N -0.878 121.876 122.820 -0.110 0.000 1.929 425 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 425 A C 1.808 179.396 177.584 0.007 0.000 1.176 425 A CA 0.879 52.825 52.037 -0.152 0.000 0.628 425 A CB -0.740 18.032 19.000 -0.380 0.000 0.816 425 A HN 0.289 nan 8.150 nan 0.000 0.444 426 F N 0.353 120.404 119.950 0.168 0.000 2.149 426 F HA 0.011 4.538 4.527 -0.000 0.000 0.294 426 F C 2.643 178.563 175.800 0.201 0.000 1.095 426 F CA 0.956 59.089 58.000 0.221 0.000 1.276 426 F CB -1.024 38.195 39.000 0.365 0.000 1.023 426 F HN 0.080 nan 8.300 nan 0.000 0.480 427 S N -0.249 115.687 115.700 0.393 0.000 2.493 427 S HA -0.158 4.312 4.470 -0.000 0.000 0.243 427 S C 1.958 176.783 174.600 0.375 0.000 0.991 427 S CA 1.001 59.403 58.200 0.338 0.000 0.957 427 S CB -0.286 63.035 63.200 0.202 0.000 0.756 427 S HN 0.331 nan 8.310 nan 0.000 0.521 428 R N 0.241 120.898 120.500 0.262 0.000 2.225 428 R HA 0.200 4.540 4.340 -0.000 0.000 0.194 428 R C 1.061 177.414 176.300 0.088 0.000 0.957 428 R CA 0.100 56.277 56.100 0.128 0.000 1.042 428 R CB 0.229 30.555 30.300 0.043 0.000 1.004 428 R HN 0.338 nan 8.270 nan 0.000 0.509 429 Q N 2.402 122.272 119.800 0.117 0.000 2.267 429 Q HA 0.217 4.557 4.340 -0.000 0.000 0.255 429 Q C -2.299 173.744 176.000 0.073 0.000 0.923 429 Q CA -2.383 53.459 55.803 0.064 0.000 0.925 429 Q CB 1.224 29.990 28.738 0.047 0.000 1.195 429 Q HN -0.083 nan 8.270 nan 0.000 0.417 430 P HA 0.096 nan 4.420 nan 0.000 0.274 430 P C -1.195 176.180 177.300 0.125 0.000 1.237 430 P CA -0.005 63.153 63.100 0.096 0.000 0.793 430 P CB 1.108 32.883 31.700 0.126 0.000 0.977 431 A N 1.828 124.711 122.820 0.105 0.000 2.517 431 A HA 0.780 5.100 4.320 -0.000 0.000 0.280 431 A C 0.367 178.017 177.584 0.110 0.000 1.353 431 A CA -0.231 51.862 52.037 0.093 0.000 0.907 431 A CB 0.015 19.036 19.000 0.035 0.000 1.495 431 A HN 0.592 nan 8.150 nan 0.000 0.506 432 G N -1.067 107.736 108.800 0.005 0.000 2.453 432 G HA2 0.527 4.487 3.960 -0.000 0.000 0.323 432 G HA3 0.527 4.487 3.960 -0.000 0.000 0.323 432 G C -0.362 174.405 174.900 -0.222 0.000 1.198 432 G CA -0.844 44.124 45.100 -0.221 0.000 0.959 432 G HN 0.856 nan 8.290 nan 0.000 0.482 433 R N 1.236 121.555 120.500 -0.300 0.000 2.538 433 R HA 0.130 4.470 4.340 -0.000 0.000 0.282 433 R C 0.878 177.071 176.300 -0.179 0.000 1.009 433 R CA 0.014 55.964 56.100 -0.251 0.000 1.063 433 R CB 0.113 30.266 30.300 -0.245 0.000 0.945 433 R HN 0.479 nan 8.270 nan 0.000 0.414 434 I N 3.055 123.523 120.570 -0.170 0.000 2.286 434 I HA -0.007 4.163 4.170 -0.000 0.000 0.245 434 I C 1.568 177.639 176.117 -0.075 0.000 1.104 434 I CA 1.269 62.518 61.300 -0.085 0.000 1.397 434 I CB -0.397 37.554 38.000 -0.080 0.000 1.072 434 I HN 0.820 nan 8.210 nan 0.000 0.417 435 G N -1.179 107.572 108.800 -0.082 0.000 2.641 435 G HA2 0.458 4.418 3.960 -0.000 0.000 0.239 435 G HA3 0.458 4.418 3.960 -0.000 0.000 0.239 435 G C 0.875 175.701 174.900 -0.123 0.000 1.402 435 G CA 0.189 45.222 45.100 -0.110 0.000 1.046 435 G HN 0.404 nan 8.290 nan 0.000 0.565 436 G N -1.879 106.843 108.800 -0.131 0.000 2.498 436 G HA2 0.337 4.297 3.960 -0.000 0.000 0.229 436 G HA3 0.337 4.297 3.960 -0.000 0.000 0.229 436 G C 1.290 176.122 174.900 -0.114 0.000 1.156 436 G CA 1.026 46.055 45.100 -0.118 0.000 0.680 436 G HN 2.834 nan 8.290 nan 0.000 0.512 437 G N -0.819 107.917 108.800 -0.106 0.000 2.674 437 G HA2 0.449 4.409 3.960 -0.000 0.000 0.686 437 G HA3 0.449 4.409 3.960 -0.000 0.000 0.686 437 G C 0.061 174.936 174.900 -0.041 0.000 1.195 437 G CA 0.298 45.353 45.100 -0.075 0.000 0.776 437 G HN 1.775 nan 8.290 nan 0.000 0.654 438 R N -0.437 120.059 120.500 -0.006 0.000 3.084 438 R HA -0.204 4.136 4.340 -0.000 0.000 0.258 438 R C 0.225 176.510 176.300 -0.026 0.000 0.914 438 R CA 1.007 57.104 56.100 -0.005 0.000 0.646 438 R CB -1.291 29.005 30.300 -0.006 0.000 1.330 438 R HN 0.934 nan 8.270 nan 0.000 0.465 439 N N 0.357 119.048 118.700 -0.014 0.000 2.261 439 N HA 0.220 4.960 4.740 -0.000 0.000 0.241 439 N C -0.888 174.641 175.510 0.032 0.000 1.374 439 N CA -0.199 52.833 53.050 -0.029 0.000 0.802 439 N CB 0.847 39.278 38.487 -0.094 0.000 1.339 439 N HN 0.348 nan 8.380 nan 0.000 0.498 440 I N 1.152 121.764 120.570 0.070 0.000 2.312 440 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 440 I C 0.265 176.459 176.117 0.128 0.000 1.008 440 I CA -0.854 60.525 61.300 0.131 0.000 1.226 440 I CB 0.921 39.009 38.000 0.147 0.000 1.371 440 I HN 0.168 nan 8.210 nan 0.000 0.468 441 D N 4.554 125.053 120.400 0.165 0.000 2.474 441 D HA -0.129 4.511 4.640 -0.000 0.000 0.232 441 D C 1.589 177.989 176.300 0.167 0.000 1.177 441 D CA 0.602 54.682 54.000 0.133 0.000 0.876 441 D CB 0.688 41.597 40.800 0.183 0.000 1.208 441 D HN 0.673 nan 8.370 nan 0.000 0.464 442 H N 1.499 120.492 119.070 -0.128 0.000 2.321 442 H HA -0.159 4.397 4.556 -0.000 0.000 0.300 442 H C 1.455 176.794 175.328 0.018 0.000 1.087 442 H CA 0.881 56.876 56.048 -0.089 0.000 1.319 442 H CB -0.214 29.450 29.762 -0.162 0.000 1.379 442 H HN 0.490 nan 8.280 nan 0.000 0.501 443 H N 1.589 120.552 119.070 -0.178 0.000 2.297 443 H HA -0.187 4.369 4.556 -0.000 0.000 0.289 443 H C 2.432 177.892 175.328 0.220 0.000 1.105 443 H CA 1.994 57.930 56.048 -0.188 0.000 1.219 443 H CB -0.342 29.275 29.762 -0.242 0.000 1.351 443 H HN 0.712 nan 8.280 nan 0.000 0.481 444 I N -1.288 119.536 120.570 0.423 0.000 3.793 444 I HA 0.025 4.195 4.170 -0.000 0.000 0.315 444 I C 2.010 178.170 176.117 0.073 0.000 1.275 444 I CA 0.229 61.703 61.300 0.290 0.000 1.214 444 I CB -0.159 38.027 38.000 0.310 0.000 1.018 444 I HN -0.051 nan 8.210 nan 0.000 0.439 445 L N 2.909 124.236 121.223 0.174 0.000 2.357 445 L HA -0.261 4.079 4.340 -0.000 0.000 0.220 445 L C 2.760 179.667 176.870 0.062 0.000 1.123 445 L CA 2.056 56.959 54.840 0.105 0.000 0.782 445 L CB -1.037 41.096 42.059 0.123 0.000 0.910 445 L HN 0.564 nan 8.230 nan 0.000 0.442 446 H N -2.667 116.422 119.070 0.032 0.000 2.389 446 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 446 H C 2.054 177.357 175.328 -0.041 0.000 1.081 446 H CA 1.588 57.640 56.048 0.006 0.000 1.345 446 H CB -1.269 28.506 29.762 0.021 0.000 1.393 446 H HN 0.283 nan 8.280 nan 0.000 0.520 447 V N 2.378 121.905 119.914 -0.646 0.000 2.252 447 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 447 V C 3.288 179.171 176.094 -0.352 0.000 1.056 447 V CA 2.277 64.261 62.300 -0.527 0.000 1.022 447 V CB -1.419 29.913 31.823 -0.818 0.000 0.641 447 V HN 0.646 nan 8.190 nan 0.000 0.445 448 A N -0.106 122.551 122.820 -0.272 0.000 1.948 448 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 448 A C 2.368 179.876 177.584 -0.127 0.000 1.177 448 A CA 2.364 54.303 52.037 -0.164 0.000 0.636 448 A CB -0.803 18.244 19.000 0.078 0.000 0.815 448 A HN 0.408 nan 8.150 nan 0.000 0.449 449 V N 0.485 120.362 119.914 -0.061 0.000 2.358 449 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 449 V C 2.079 178.144 176.094 -0.049 0.000 1.047 449 V CA 2.100 64.391 62.300 -0.014 0.000 1.035 449 V CB -0.800 31.041 31.823 0.030 0.000 0.658 449 V HN 0.515 nan 8.190 nan 0.000 0.452 450 D N 0.378 120.726 120.400 -0.086 0.000 2.117 450 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 450 D C 2.253 178.458 176.300 -0.159 0.000 0.982 450 D CA 1.329 55.275 54.000 -0.089 0.000 0.828 450 D CB -0.184 40.570 40.800 -0.077 0.000 0.967 450 D HN 0.355 nan 8.370 nan 0.000 0.464 451 V N 1.906 121.634 119.914 -0.311 0.000 2.287 451 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 451 V C 2.570 178.521 176.094 -0.239 0.000 1.053 451 V CA 1.301 63.327 62.300 -0.456 0.000 1.027 451 V CB -0.475 30.762 31.823 -0.978 0.000 0.646 451 V HN 0.202 nan 8.190 nan 0.000 0.447 452 I N -0.717 119.772 120.570 -0.136 0.000 2.454 452 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 452 I C 2.514 178.646 176.117 0.025 0.000 1.156 452 I CA 1.339 62.651 61.300 0.021 0.000 1.433 452 I CB -0.477 37.580 38.000 0.095 0.000 1.082 452 I HN 0.319 nan 8.210 nan 0.000 0.432 453 K N 0.706 121.100 120.400 -0.009 0.000 2.007 453 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 453 K C 2.038 178.642 176.600 0.007 0.000 1.047 453 K CA 1.144 57.436 56.287 0.009 0.000 0.937 453 K CB -0.225 32.276 32.500 0.002 0.000 0.718 453 K HN 0.307 nan 8.250 nan 0.000 0.438 454 E N 1.223 121.409 120.200 -0.023 0.000 2.038 454 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 454 E C 2.107 178.712 176.600 0.009 0.000 1.000 454 E CA 1.544 57.937 56.400 -0.011 0.000 0.803 454 E CB -0.081 29.592 29.700 -0.045 0.000 0.750 454 E HN 0.141 nan 8.360 nan 0.000 0.448 455 S N 0.242 115.940 115.700 -0.003 0.000 2.399 455 S HA -0.274 4.196 4.470 -0.000 0.000 0.235 455 S C 1.941 176.582 174.600 0.069 0.000 1.063 455 S CA 1.895 60.118 58.200 0.038 0.000 1.070 455 S CB -0.345 62.906 63.200 0.085 0.000 0.904 455 S HN 0.298 nan 8.310 nan 0.000 0.456 456 R N -0.140 120.402 120.500 0.071 0.000 2.115 456 R HA 0.037 4.377 4.340 -0.000 0.000 0.226 456 R C 2.344 178.682 176.300 0.065 0.000 1.100 456 R CA 1.372 57.520 56.100 0.079 0.000 0.980 456 R CB -0.511 29.834 30.300 0.075 0.000 0.875 456 R HN 0.385 nan 8.270 nan 0.000 0.445 457 V N 1.641 121.587 119.914 0.054 0.000 2.343 457 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 457 V C 2.253 178.383 176.094 0.061 0.000 1.051 457 V CA 1.614 63.946 62.300 0.053 0.000 1.036 457 V CB -0.434 31.419 31.823 0.051 0.000 0.654 457 V HN 0.268 nan 8.190 nan 0.000 0.451 458 L N -0.731 120.530 121.223 0.063 0.000 2.201 458 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 458 L C 1.103 178.014 176.870 0.068 0.000 1.105 458 L CA 0.684 55.565 54.840 0.067 0.000 0.775 458 L CB -0.426 41.668 42.059 0.058 0.000 0.913 458 L HN 0.345 nan 8.230 nan 0.000 0.440 459 R N 0.139 120.684 120.500 0.076 0.000 3.246 459 R HA -0.128 4.212 4.340 -0.000 0.000 0.260 459 R C -0.623 175.746 176.300 0.115 0.000 1.034 459 R CA 0.019 56.173 56.100 0.090 0.000 0.691 459 R CB -2.374 27.967 30.300 0.068 0.000 1.186 459 R HN 0.265 nan 8.270 nan 0.000 0.416 460 L N 1.334 122.634 121.223 0.128 0.000 2.426 460 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 460 L C 1.472 178.494 176.870 0.253 0.000 1.169 460 L CA 0.053 54.998 54.840 0.175 0.000 0.836 460 L CB 0.522 42.627 42.059 0.076 0.000 1.112 460 L HN 0.247 nan 8.230 nan 0.000 0.465 461 Q N 2.708 122.697 119.800 0.315 0.000 2.535 461 Q HA 0.150 4.490 4.340 -0.000 0.000 0.228 461 Q C -2.148 174.041 176.000 0.315 0.000 1.062 461 Q CA -1.563 54.369 55.803 0.214 0.000 0.967 461 Q CB 0.027 28.705 28.738 -0.101 0.000 1.273 461 Q HN 0.377 nan 8.270 nan 0.000 0.554 462 P HA -0.090 nan 4.420 nan 0.000 0.269 462 P C -0.104 177.401 177.300 0.341 0.000 1.209 462 P CA 0.009 63.264 63.100 0.257 0.000 0.776 462 P CB 0.329 32.135 31.700 0.176 0.000 0.876 463 F N 3.444 123.505 119.950 0.185 0.000 2.039 463 F HA -0.396 4.131 4.527 -0.000 0.000 0.296 463 F C 1.875 177.774 175.800 0.165 0.000 1.119 463 F CA 2.187 60.287 58.000 0.167 0.000 1.211 463 F CB -1.012 37.970 39.000 -0.030 0.000 0.956 463 F HN 0.318 nan 8.300 nan 0.000 0.496 464 N N 0.533 119.297 118.700 0.105 0.000 2.060 464 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 464 N C 1.784 177.238 175.510 -0.094 0.000 1.028 464 N CA 1.753 54.779 53.050 -0.039 0.000 0.861 464 N CB -0.600 37.896 38.487 0.015 0.000 1.029 464 N HN 0.418 nan 8.380 nan 0.000 0.428 465 E N -0.119 120.030 120.200 -0.086 0.000 2.118 465 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 465 E C 1.885 178.360 176.600 -0.209 0.000 0.992 465 E CA 0.910 57.172 56.400 -0.231 0.000 0.804 465 E CB -0.436 29.009 29.700 -0.425 0.000 0.741 465 E HN 0.555 nan 8.360 nan 0.000 0.458 466 Y N 0.634 120.908 120.300 -0.044 0.000 2.373 466 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 466 Y C 2.452 178.354 175.900 0.004 0.000 1.129 466 Y CA 0.785 58.930 58.100 0.074 0.000 1.226 466 Y CB 0.151 38.769 38.460 0.263 0.000 1.000 466 Y HN -0.057 nan 8.280 nan 0.000 0.549 467 R N 0.479 120.915 120.500 -0.106 0.000 2.066 467 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 467 R C 1.998 178.257 176.300 -0.067 0.000 1.131 467 R CA 1.305 57.290 56.100 -0.192 0.000 0.955 467 R CB -0.377 29.712 30.300 -0.350 0.000 0.851 467 R HN 0.364 nan 8.270 nan 0.000 0.432 468 K N 0.336 120.676 120.400 -0.099 0.000 1.977 468 K HA -0.203 4.117 4.320 -0.000 0.000 0.218 468 K C 2.104 178.664 176.600 -0.067 0.000 1.051 468 K CA 1.458 57.687 56.287 -0.097 0.000 0.953 468 K CB -0.341 32.071 32.500 -0.146 0.000 0.727 468 K HN -0.113 nan 8.250 nan 0.000 0.445 469 R N 0.926 121.369 120.500 -0.095 0.000 2.198 469 R HA -0.163 4.177 4.340 -0.000 0.000 0.258 469 R C 1.123 177.287 176.300 -0.226 0.000 1.173 469 R CA 1.632 57.640 56.100 -0.153 0.000 0.991 469 R CB -0.615 29.575 30.300 -0.182 0.000 0.879 469 R HN 0.197 nan 8.270 nan 0.000 0.460 470 F N -0.542 119.367 119.950 -0.069 0.000 2.713 470 F HA 0.299 4.826 4.527 -0.000 0.000 0.294 470 F C 1.239 177.009 175.800 -0.050 0.000 1.152 470 F CA 0.377 58.340 58.000 -0.062 0.000 1.385 470 F CB 0.572 39.539 39.000 -0.055 0.000 0.981 470 F HN 0.275 nan 8.300 nan 0.000 0.514 471 G N 1.087 109.905 108.800 0.030 0.000 2.225 471 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 471 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 471 G C -0.091 174.822 174.900 0.022 0.000 1.060 471 G CA 0.117 45.232 45.100 0.027 0.000 0.833 471 G HN 0.351 nan 8.290 nan 0.000 0.498 472 M N -1.029 118.566 119.600 -0.008 0.000 2.775 472 M HA 0.759 5.239 4.480 -0.000 0.000 0.296 472 M C 0.370 176.611 176.300 -0.098 0.000 1.248 472 M CA -0.381 54.886 55.300 -0.056 0.000 0.800 472 M CB 1.612 34.160 32.600 -0.087 0.000 1.765 472 M HN 0.318 nan 8.290 nan 0.000 0.472 473 K N 1.576 121.885 120.400 -0.152 0.000 2.130 473 K HA 0.676 4.996 4.320 -0.000 0.000 0.268 473 K C -2.858 173.595 176.600 -0.245 0.000 0.983 473 K CA -1.773 54.415 56.287 -0.165 0.000 0.893 473 K CB -0.088 32.321 32.500 -0.151 0.000 1.066 473 K HN 0.466 nan 8.250 nan 0.000 0.450 474 P HA 0.116 nan 4.420 nan 0.000 0.271 474 P C -0.897 176.313 177.300 -0.150 0.000 1.216 474 P CA -0.163 62.851 63.100 -0.144 0.000 0.776 474 P CB 0.180 31.835 31.700 -0.074 0.000 0.881 475 Y N 0.851 121.124 120.300 -0.045 0.000 2.497 475 Y HA 0.009 4.559 4.550 -0.000 0.000 0.334 475 Y C 2.304 178.170 175.900 -0.058 0.000 1.199 475 Y CA 0.889 58.961 58.100 -0.047 0.000 1.425 475 Y CB 0.476 38.898 38.460 -0.064 0.000 1.291 475 Y HN 0.426 nan 8.280 nan 0.000 0.562 476 T N -2.347 112.280 114.554 0.123 0.000 3.081 476 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 476 T C 0.134 174.878 174.700 0.074 0.000 1.100 476 T CA 0.431 62.574 62.100 0.071 0.000 1.038 476 T CB -0.188 68.712 68.868 0.053 0.000 0.962 476 T HN 0.552 nan 8.240 nan 0.000 0.516 477 S N -1.174 114.570 115.700 0.073 0.000 2.595 477 S HA 0.549 5.019 4.470 -0.000 0.000 0.270 477 S C -0.318 174.266 174.600 -0.027 0.000 1.145 477 S CA -0.894 57.348 58.200 0.070 0.000 0.825 477 S CB 0.137 63.402 63.200 0.108 0.000 1.107 477 S HN -0.080 nan 8.310 nan 0.000 0.461 478 F N 1.228 121.147 119.950 -0.051 0.000 2.325 478 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 478 F C 3.275 178.994 175.800 -0.136 0.000 1.090 478 F CA 1.790 59.707 58.000 -0.138 0.000 1.392 478 F CB -0.898 38.022 39.000 -0.134 0.000 1.053 478 F HN 0.849 nan 8.300 nan 0.000 0.521 479 Q N 0.596 120.467 119.800 0.118 0.000 2.084 479 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 479 Q C 2.090 178.099 176.000 0.015 0.000 0.978 479 Q CA 1.911 57.744 55.803 0.050 0.000 0.844 479 Q CB -1.147 27.626 28.738 0.059 0.000 0.898 479 Q HN 0.596 nan 8.270 nan 0.000 0.426 480 E N -0.617 119.605 120.200 0.036 0.000 2.106 480 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 480 E C 2.049 178.632 176.600 -0.029 0.000 0.984 480 E CA 1.022 57.475 56.400 0.089 0.000 0.806 480 E CB -0.033 29.791 29.700 0.206 0.000 0.750 480 E HN 0.517 nan 8.360 nan 0.000 0.458 481 L N 1.201 122.212 121.223 -0.353 0.000 1.961 481 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 481 L C 1.438 178.039 176.870 -0.448 0.000 1.072 481 L CA 2.009 56.315 54.840 -0.890 0.000 0.749 481 L CB -0.874 40.675 42.059 -0.850 0.000 0.889 481 L HN 0.086 nan 8.230 nan 0.000 0.432 482 T N -2.182 112.209 114.554 -0.271 0.000 2.869 482 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 482 T C 1.269 175.913 174.700 -0.094 0.000 0.987 482 T CA -0.257 61.738 62.100 -0.176 0.000 1.109 482 T CB 1.156 69.933 68.868 -0.150 0.000 0.932 482 T HN 0.400 nan 8.240 nan 0.000 0.518 483 G N 2.728 111.486 108.800 -0.070 0.000 2.501 483 G HA2 0.003 3.963 3.960 -0.000 0.000 0.220 483 G HA3 0.003 3.963 3.960 -0.000 0.000 0.220 483 G C 0.575 175.462 174.900 -0.023 0.000 1.114 483 G CA 0.962 46.044 45.100 -0.030 0.000 0.757 483 G HN 0.927 nan 8.290 nan 0.000 0.559 484 E N -1.172 119.008 120.200 -0.034 0.000 3.362 484 E HA 0.779 5.129 4.350 -0.000 0.000 0.253 484 E C 1.145 177.736 176.600 -0.016 0.000 0.962 484 E CA 0.150 56.537 56.400 -0.022 0.000 1.399 484 E CB 0.179 29.863 29.700 -0.025 0.000 1.668 484 E HN 0.036 nan 8.360 nan 0.000 0.563 485 K N -1.323 119.070 120.400 -0.011 0.000 2.548 485 K HA 0.344 4.664 4.320 -0.000 0.000 0.209 485 K C 1.910 178.506 176.600 -0.007 0.000 1.420 485 K CA 0.865 57.149 56.287 -0.004 0.000 0.985 485 K CB -1.081 31.421 32.500 0.003 0.000 1.249 485 K HN 0.451 nan 8.250 nan 0.000 0.557 486 E N 1.234 121.432 120.200 -0.003 0.000 1.996 486 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 486 E C 2.093 178.697 176.600 0.007 0.000 1.002 486 E CA 1.817 58.223 56.400 0.009 0.000 0.840 486 E CB -0.772 28.939 29.700 0.019 0.000 0.786 486 E HN 0.511 nan 8.360 nan 0.000 0.469 487 M N 0.050 119.653 119.600 0.003 0.000 2.147 487 M HA -0.279 4.201 4.480 -0.000 0.000 0.253 487 M C 2.754 178.960 176.300 -0.156 0.000 1.075 487 M CA 2.313 57.586 55.300 -0.046 0.000 1.085 487 M CB -0.589 31.940 32.600 -0.118 0.000 1.305 487 M HN 0.563 nan 8.290 nan 0.000 0.409 488 A N 0.165 122.919 122.820 -0.111 0.000 1.859 488 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 488 A C 2.325 179.823 177.584 -0.144 0.000 1.209 488 A CA 2.847 54.840 52.037 -0.074 0.000 0.639 488 A CB -1.375 17.625 19.000 0.000 0.000 0.835 488 A HN 0.609 nan 8.150 nan 0.000 0.450 489 A N -0.857 121.913 122.820 -0.083 0.000 1.917 489 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 489 A C 2.054 179.569 177.584 -0.115 0.000 1.182 489 A CA 2.150 54.135 52.037 -0.087 0.000 0.633 489 A CB -0.677 18.306 19.000 -0.029 0.000 0.819 489 A HN 0.729 nan 8.150 nan 0.000 0.448 490 E N -0.435 119.735 120.200 -0.050 0.000 2.110 490 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 490 E C 1.904 178.500 176.600 -0.007 0.000 0.988 490 E CA 1.134 57.562 56.400 0.048 0.000 0.804 490 E CB -0.191 29.644 29.700 0.226 0.000 0.745 490 E HN 0.652 nan 8.360 nan 0.000 0.458 491 L N 0.556 121.638 121.223 -0.234 0.000 2.044 491 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 491 L C 2.700 179.173 176.870 -0.662 0.000 1.075 491 L CA 1.588 56.211 54.840 -0.362 0.000 0.747 491 L CB -0.474 41.300 42.059 -0.474 0.000 0.903 491 L HN 0.236 nan 8.230 nan 0.000 0.435 492 E N 0.591 120.113 120.200 -1.130 0.000 2.070 492 E HA -0.342 4.008 4.350 -0.000 0.000 0.197 492 E C 2.075 178.497 176.600 -0.297 0.000 1.004 492 E CA 1.839 57.694 56.400 -0.907 0.000 0.805 492 E CB -0.150 29.264 29.700 -0.477 0.000 0.744 492 E HN 0.465 nan 8.360 nan 0.000 0.451 493 E N 0.107 120.194 120.200 -0.187 0.000 2.160 493 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 493 E C 2.085 178.674 176.600 -0.020 0.000 0.991 493 E CA 1.181 57.545 56.400 -0.059 0.000 0.810 493 E CB -0.003 29.687 29.700 -0.018 0.000 0.742 493 E HN 0.414 nan 8.360 nan 0.000 0.466 494 L N -1.005 120.210 121.223 -0.014 0.000 2.121 494 L HA -0.064 4.276 4.340 -0.000 0.000 0.200 494 L C 2.254 179.109 176.870 -0.025 0.000 1.077 494 L CA 0.724 55.566 54.840 0.002 0.000 0.766 494 L CB -0.560 41.529 42.059 0.050 0.000 0.931 494 L HN 0.117 nan 8.230 nan 0.000 0.452 495 Y N 0.342 120.650 120.300 0.013 0.000 2.439 495 Y HA -0.019 4.531 4.550 0.000 0.000 0.292 495 Y C 2.073 178.038 175.900 0.109 0.000 1.130 495 Y CA 0.986 59.153 58.100 0.112 0.000 1.254 495 Y CB -0.283 38.338 38.460 0.268 0.000 1.000 495 Y HN 0.382 nan 8.280 nan 0.000 0.554 496 G N -0.477 108.427 108.800 0.174 0.000 2.353 496 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.258 496 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.258 496 G C -0.032 174.989 174.900 0.201 0.000 1.013 496 G CA 0.727 45.908 45.100 0.136 0.000 0.622 496 G HN 0.393 nan 8.290 nan 0.000 0.535 497 D N -1.201 119.395 120.400 0.327 0.000 2.977 497 D HA 0.397 5.037 4.640 -0.000 0.000 0.220 497 D C 1.036 177.581 176.300 0.407 0.000 1.267 497 D CA -0.358 53.840 54.000 0.331 0.000 0.884 497 D CB 1.203 42.131 40.800 0.214 0.000 1.667 497 D HN 0.114 nan 8.370 nan 0.000 0.536 498 I N 2.958 123.706 120.570 0.298 0.000 2.194 498 I HA -0.229 3.941 4.170 -0.000 0.000 0.246 498 I C 1.361 177.396 176.117 -0.136 0.000 1.093 498 I CA 1.810 62.935 61.300 -0.291 0.000 1.355 498 I CB 0.011 37.804 38.000 -0.345 0.000 1.046 498 I HN 0.402 nan 8.210 nan 0.000 0.413 499 D N 0.703 121.121 120.400 0.029 0.000 2.221 499 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 499 D C 2.099 178.465 176.300 0.110 0.000 0.982 499 D CA 1.427 55.469 54.000 0.070 0.000 0.857 499 D CB -0.158 40.704 40.800 0.104 0.000 0.934 499 D HN 0.551 nan 8.370 nan 0.000 0.475 500 A N 0.579 123.491 122.820 0.153 0.000 2.123 500 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 500 A C 1.149 178.841 177.584 0.181 0.000 1.152 500 A CA -0.238 51.935 52.037 0.227 0.000 0.728 500 A CB -0.228 18.966 19.000 0.323 0.000 0.814 500 A HN 0.194 nan 8.150 nan 0.000 0.464 501 L N 0.945 122.103 121.223 -0.108 0.000 2.558 501 L HA -0.022 4.318 4.340 -0.000 0.000 0.301 501 L C 0.218 177.001 176.870 -0.146 0.000 1.267 501 L CA 0.552 55.041 54.840 -0.586 0.000 0.854 501 L CB 0.005 41.705 42.059 -0.598 0.000 1.103 501 L HN 0.460 nan 8.230 nan 0.000 0.522 502 E N 2.897 123.014 120.200 -0.137 0.000 2.250 502 E HA 0.082 4.432 4.350 -0.000 0.000 0.265 502 E C 0.339 177.033 176.600 0.157 0.000 1.033 502 E CA -0.465 56.031 56.400 0.159 0.000 0.888 502 E CB 0.888 30.759 29.700 0.286 0.000 1.151 502 E HN 0.654 nan 8.360 nan 0.000 0.412 503 F N 1.242 121.286 119.950 0.156 0.000 2.026 503 F HA -0.309 4.218 4.527 -0.000 0.000 0.296 503 F C 2.170 178.030 175.800 0.101 0.000 1.133 503 F CA 1.747 59.853 58.000 0.177 0.000 1.188 503 F CB -0.314 38.704 39.000 0.030 0.000 0.968 503 F HN 0.615 nan 8.300 nan 0.000 0.476 504 Y N 1.157 121.486 120.300 0.049 0.000 2.145 504 Y HA -0.070 4.480 4.550 0.000 0.000 0.286 504 Y C -0.803 174.989 175.900 -0.180 0.000 1.145 504 Y CA 1.697 59.744 58.100 -0.089 0.000 1.148 504 Y CB -1.845 36.633 38.460 0.030 0.000 0.981 504 Y HN 0.069 nan 8.280 nan 0.000 0.507 505 P HA -0.099 nan 4.420 nan 0.000 0.217 505 P C 1.698 178.701 177.300 -0.496 0.000 1.150 505 P CA 2.219 65.183 63.100 -0.227 0.000 0.832 505 P CB -0.391 31.309 31.700 -0.001 0.000 0.787 506 G N 0.056 108.424 108.800 -0.721 0.000 2.453 506 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 506 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 506 G C 1.518 175.695 174.900 -1.205 0.000 1.201 506 G CA 0.646 44.945 45.100 -1.335 0.000 0.784 506 G HN 0.196 nan 8.290 nan 0.000 0.545 507 L N -0.106 120.543 121.223 -0.956 0.000 2.021 507 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 507 L C 2.791 179.359 176.870 -0.504 0.000 1.074 507 L CA 0.945 55.450 54.840 -0.558 0.000 0.760 507 L CB -0.250 41.488 42.059 -0.535 0.000 0.889 507 L HN 0.183 nan 8.230 nan 0.000 0.433 508 L N -1.118 119.765 121.223 -0.566 0.000 2.492 508 L HA -0.061 4.279 4.340 -0.000 0.000 0.223 508 L C 1.772 178.441 176.870 -0.335 0.000 1.132 508 L CA 0.323 54.907 54.840 -0.428 0.000 0.850 508 L CB 0.052 41.824 42.059 -0.479 0.000 0.966 508 L HN 0.297 nan 8.230 nan 0.000 0.454 509 L N -0.824 120.160 121.223 -0.398 0.000 2.640 509 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 509 L C 1.003 177.659 176.870 -0.356 0.000 1.123 509 L CA -0.089 54.544 54.840 -0.345 0.000 0.900 509 L CB 0.260 42.092 42.059 -0.379 0.000 1.146 509 L HN 0.173 nan 8.230 nan 0.000 0.484 510 E N 2.470 122.440 120.200 -0.383 0.000 2.366 510 E HA 0.077 4.427 4.350 -0.000 0.000 0.266 510 E C -0.138 176.340 176.600 -0.204 0.000 1.051 510 E CA -0.622 55.586 56.400 -0.321 0.000 0.884 510 E CB 0.747 30.302 29.700 -0.241 0.000 1.006 510 E HN 0.110 nan 8.360 nan 0.000 0.417 511 K N 2.707 123.016 120.400 -0.152 0.000 2.451 511 K HA 0.112 4.432 4.320 -0.000 0.000 0.280 511 K C -0.701 175.866 176.600 -0.055 0.000 1.020 511 K CA -0.655 55.583 56.287 -0.083 0.000 1.008 511 K CB 0.345 32.824 32.500 -0.035 0.000 0.917 511 K HN 0.313 nan 8.250 nan 0.000 0.478 512 C N 3.104 122.368 119.300 -0.059 0.000 2.657 512 C HA 0.101 4.561 4.460 -0.000 0.000 0.404 512 C C 0.658 175.668 174.990 0.033 0.000 1.291 512 C CA -0.453 58.528 59.018 -0.061 0.000 2.218 512 C CB -0.807 26.887 27.740 -0.077 0.000 2.687 512 C HN 0.761 nan 8.230 nan 0.000 0.634 513 H N 1.789 120.839 119.070 -0.033 0.000 2.790 513 H HA 0.108 4.664 4.556 0.000 0.000 0.358 513 H C -2.022 173.319 175.328 0.022 0.000 1.103 513 H CA -1.046 55.001 56.048 -0.003 0.000 1.426 513 H CB 0.093 29.816 29.762 -0.064 0.000 1.424 513 H HN 0.430 nan 8.280 nan 0.000 0.599 514 P HA -0.148 nan 4.420 nan 0.000 0.258 514 P C -0.338 177.001 177.300 0.065 0.000 1.172 514 P CA 0.774 63.936 63.100 0.104 0.000 0.762 514 P CB 0.136 31.908 31.700 0.121 0.000 0.764 515 N N -0.571 118.130 118.700 0.001 0.000 2.828 515 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 515 N C -0.465 174.988 175.510 -0.096 0.000 1.044 515 N CA 1.402 54.420 53.050 -0.054 0.000 0.851 515 N CB -1.746 36.707 38.487 -0.056 0.000 1.136 515 N HN 0.316 nan 8.380 nan 0.000 0.572 516 S N -0.106 115.548 115.700 -0.076 0.000 2.652 516 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 516 S C 1.589 176.004 174.600 -0.309 0.000 1.243 516 S CA -0.539 57.562 58.200 -0.164 0.000 0.999 516 S CB 1.565 64.730 63.200 -0.058 0.000 0.973 516 S HN 0.301 nan 8.310 nan 0.000 0.544 517 I N 0.603 120.842 120.570 -0.551 0.000 2.546 517 I HA 0.079 4.249 4.170 -0.000 0.000 0.255 517 I C -0.341 175.428 176.117 -0.581 0.000 1.163 517 I CA 1.066 61.959 61.300 -0.680 0.000 1.457 517 I CB 0.020 37.401 38.000 -1.033 0.000 1.092 517 I HN 0.672 nan 8.210 nan 0.000 0.434 518 F N -2.272 117.478 119.950 -0.335 0.000 2.817 518 F HA 0.641 5.168 4.527 0.000 0.000 0.317 518 F C 0.310 175.871 175.800 -0.398 0.000 1.168 518 F CA -1.073 56.716 58.000 -0.351 0.000 0.911 518 F CB -0.156 38.596 39.000 -0.413 0.000 1.337 518 F HN -0.230 nan 8.300 nan 0.000 0.464 519 G N -0.160 108.595 108.800 -0.074 0.000 2.583 519 G HA2 0.210 4.170 3.960 -0.000 0.000 0.275 519 G HA3 0.210 4.170 3.960 -0.000 0.000 0.275 519 G C 0.355 174.918 174.900 -0.561 0.000 1.342 519 G CA 0.212 45.126 45.100 -0.310 0.000 1.030 519 G HN 1.005 nan 8.290 nan 0.000 0.520 520 E N -0.791 119.103 120.200 -0.510 0.000 2.012 520 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 520 E C 2.639 179.159 176.600 -0.134 0.000 1.007 520 E CA 1.551 57.801 56.400 -0.250 0.000 0.816 520 E CB -0.324 29.479 29.700 0.171 0.000 0.762 520 E HN 0.364 nan 8.360 nan 0.000 0.451 521 S N 0.294 115.964 115.700 -0.050 0.000 2.423 521 S HA -0.237 4.233 4.470 -0.000 0.000 0.238 521 S C 1.702 176.190 174.600 -0.186 0.000 1.028 521 S CA 1.482 59.643 58.200 -0.064 0.000 1.000 521 S CB -0.291 62.981 63.200 0.119 0.000 0.797 521 S HN 0.299 nan 8.310 nan 0.000 0.487 522 M N 1.182 120.593 119.600 -0.315 0.000 2.156 522 M HA 0.072 4.552 4.480 -0.000 0.000 0.264 522 M C 1.529 177.608 176.300 -0.369 0.000 1.067 522 M CA 1.484 56.473 55.300 -0.518 0.000 1.131 522 M CB -0.389 31.478 32.600 -1.221 0.000 1.368 522 M HN 0.291 nan 8.290 nan 0.000 0.416 523 I N -0.840 119.597 120.570 -0.222 0.000 2.235 523 I HA -0.159 4.011 4.170 -0.000 0.000 0.241 523 I C 2.078 178.192 176.117 -0.005 0.000 1.085 523 I CA 0.805 62.086 61.300 -0.031 0.000 1.378 523 I CB -0.855 37.191 38.000 0.078 0.000 1.076 523 I HN 0.154 nan 8.210 nan 0.000 0.415 524 E N 0.638 120.834 120.200 -0.007 0.000 2.209 524 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 524 E C 2.110 178.684 176.600 -0.043 0.000 0.993 524 E CA 1.448 57.867 56.400 0.033 0.000 0.819 524 E CB -0.127 29.603 29.700 0.051 0.000 0.745 524 E HN 0.569 nan 8.360 nan 0.000 0.477 525 M N -1.189 118.255 119.600 -0.260 0.000 2.545 525 M HA 0.081 4.561 4.480 -0.000 0.000 0.264 525 M C 2.092 178.129 176.300 -0.438 0.000 1.155 525 M CA 0.733 55.578 55.300 -0.757 0.000 1.162 525 M CB 0.355 32.579 32.600 -0.626 0.000 1.330 525 M HN 0.061 nan 8.290 nan 0.000 0.479 526 G N -0.104 108.626 108.800 -0.116 0.000 2.408 526 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.213 526 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.213 526 G C 1.564 176.518 174.900 0.090 0.000 1.177 526 G CA 0.754 45.907 45.100 0.088 0.000 0.802 526 G HN 0.460 nan 8.290 nan 0.000 0.533 527 A N 1.817 124.682 122.820 0.076 0.000 1.892 527 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 527 A C 0.735 178.361 177.584 0.069 0.000 1.188 527 A CA 2.252 54.347 52.037 0.097 0.000 0.631 527 A CB -1.321 17.745 19.000 0.111 0.000 0.822 527 A HN 0.381 nan 8.150 nan 0.000 0.447 528 P HA -0.127 nan 4.420 nan 0.000 0.215 528 P C 1.304 178.605 177.300 0.003 0.000 1.157 528 P CA 1.105 64.227 63.100 0.036 0.000 0.868 528 P CB -0.200 31.558 31.700 0.097 0.000 0.788 529 F N -0.972 118.909 119.950 -0.115 0.000 2.186 529 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 529 F C 2.636 178.074 175.800 -0.603 0.000 1.090 529 F CA 0.780 58.490 58.000 -0.483 0.000 1.307 529 F CB -0.481 37.939 39.000 -0.966 0.000 1.019 529 F HN -0.069 nan 8.300 nan 0.000 0.489 530 S N 0.586 116.184 115.700 -0.169 0.000 2.343 530 S HA -0.137 4.333 4.470 -0.000 0.000 0.219 530 S C 1.934 176.570 174.600 0.060 0.000 1.033 530 S CA 1.176 59.377 58.200 0.001 0.000 1.014 530 S CB -0.415 62.889 63.200 0.174 0.000 0.915 530 S HN 0.214 nan 8.310 nan 0.000 0.435 531 L N 1.116 122.387 121.223 0.080 0.000 2.156 531 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 531 L C 2.419 179.371 176.870 0.138 0.000 1.095 531 L CA 1.003 55.904 54.840 0.101 0.000 0.770 531 L CB -0.455 41.655 42.059 0.085 0.000 0.914 531 L HN 0.238 nan 8.230 nan 0.000 0.439 532 K N 1.164 121.641 120.400 0.129 0.000 2.103 532 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 532 K C 1.851 178.525 176.600 0.123 0.000 1.048 532 K CA 1.817 58.217 56.287 0.188 0.000 0.930 532 K CB -0.680 31.887 32.500 0.111 0.000 0.716 532 K HN 0.197 nan 8.250 nan 0.000 0.444 533 G N -0.037 108.787 108.800 0.040 0.000 2.453 533 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.215 533 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.215 533 G C 1.232 176.158 174.900 0.043 0.000 1.147 533 G CA 0.195 45.289 45.100 -0.011 0.000 0.802 533 G HN 0.181 nan 8.290 nan 0.000 0.535 534 L N 0.533 121.808 121.223 0.086 0.000 2.005 534 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 534 L C 2.584 179.551 176.870 0.162 0.000 1.072 534 L CA 1.056 55.958 54.840 0.103 0.000 0.744 534 L CB -0.931 41.178 42.059 0.084 0.000 0.895 534 L HN 0.113 nan 8.230 nan 0.000 0.433 535 L N -0.661 120.702 121.223 0.234 0.000 2.492 535 L HA 0.093 4.433 4.340 -0.000 0.000 0.223 535 L C 2.143 179.319 176.870 0.510 0.000 1.132 535 L CA 0.975 56.027 54.840 0.354 0.000 0.850 535 L CB -1.608 40.602 42.059 0.252 0.000 0.966 535 L HN 0.292 nan 8.230 nan 0.000 0.454 536 G N -0.543 108.459 108.800 0.337 0.000 2.920 536 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.208 536 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.208 536 G C 0.839 175.853 174.900 0.189 0.000 1.159 536 G CA -0.237 44.941 45.100 0.131 0.000 0.784 536 G HN 0.291 nan 8.290 nan 0.000 0.535 537 N N 1.337 120.176 118.700 0.231 0.000 2.475 537 N HA 0.074 4.814 4.740 -0.000 0.000 0.267 537 N C -0.894 174.739 175.510 0.205 0.000 1.169 537 N CA -1.517 51.648 53.050 0.192 0.000 0.947 537 N CB 2.074 40.678 38.487 0.195 0.000 1.061 537 N HN -0.067 nan 8.380 nan 0.000 0.466 538 P HA -0.221 nan 4.420 nan 0.000 0.218 538 P C 1.557 178.844 177.300 -0.022 0.000 1.152 538 P CA 1.404 64.439 63.100 -0.107 0.000 0.857 538 P CB -0.119 31.500 31.700 -0.136 0.000 0.787 539 I N -2.880 117.874 120.570 0.306 0.000 2.657 539 I HA -0.154 4.016 4.170 -0.000 0.000 0.261 539 I C 1.663 178.112 176.117 0.554 0.000 1.212 539 I CA 1.507 63.121 61.300 0.523 0.000 1.453 539 I CB -1.002 37.332 38.000 0.556 0.000 1.092 539 I HN -0.133 nan 8.210 nan 0.000 0.452 540 C N 1.538 121.021 119.300 0.305 0.000 2.618 540 C HA 0.193 4.653 4.460 -0.000 0.000 0.264 540 C C 1.829 176.838 174.990 0.031 0.000 1.334 540 C CA 0.315 59.427 59.018 0.157 0.000 1.731 540 C CB -1.626 26.270 27.740 0.260 0.000 1.852 540 C HN 0.729 nan 8.230 nan 0.000 0.566 541 S N 1.758 117.237 115.700 -0.369 0.000 2.600 541 S HA 0.208 4.678 4.470 -0.000 0.000 0.265 541 S C -1.704 172.782 174.600 -0.189 0.000 1.325 541 S CA -0.584 57.026 58.200 -0.983 0.000 1.002 541 S CB 0.541 62.974 63.200 -1.280 0.000 0.921 541 S HN 0.061 nan 8.310 nan 0.000 0.554 542 P HA -0.092 nan 4.420 nan 0.000 0.215 542 P C 1.489 178.753 177.300 -0.060 0.000 1.153 542 P CA 1.212 64.041 63.100 -0.452 0.000 0.853 542 P CB 0.010 31.229 31.700 -0.802 0.000 0.788 543 E N -0.954 119.201 120.200 -0.075 0.000 2.070 543 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 543 E C 1.827 178.601 176.600 0.289 0.000 1.004 543 E CA 1.779 58.227 56.400 0.079 0.000 0.805 543 E CB -0.931 28.797 29.700 0.046 0.000 0.744 543 E HN 0.404 nan 8.360 nan 0.000 0.451 544 Y N -2.151 118.172 120.300 0.039 0.000 2.389 544 Y HA -0.001 4.549 4.550 -0.000 0.000 0.292 544 Y C 1.078 177.115 175.900 0.228 0.000 1.117 544 Y CA -0.454 57.693 58.100 0.078 0.000 1.195 544 Y CB -0.041 38.456 38.460 0.063 0.000 1.076 544 Y HN 0.115 nan 8.280 nan 0.000 0.548 545 W N 4.700 126.193 121.300 0.321 0.000 1.282 545 W HA 0.057 4.717 4.660 -0.000 0.000 0.527 545 W C -0.741 176.021 176.519 0.406 0.000 0.616 545 W CA 0.624 58.220 57.345 0.417 0.000 2.357 545 W CB -0.568 29.211 29.460 0.531 0.000 1.453 545 W HN 0.104 nan 8.180 nan 0.000 0.188 546 K N 0.655 121.111 120.400 0.094 0.000 2.352 546 K HA 0.503 4.823 4.320 -0.000 0.000 0.240 546 K C 0.612 177.050 176.600 -0.270 0.000 1.017 546 K CA -0.534 55.795 56.287 0.070 0.000 0.851 546 K CB 1.536 34.087 32.500 0.086 0.000 1.261 546 K HN -0.046 nan 8.250 nan 0.000 0.451 547 A N 0.407 123.238 122.820 0.018 0.000 2.119 547 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 547 A C 1.652 179.254 177.584 0.030 0.000 1.152 547 A CA 1.383 53.435 52.037 0.026 0.000 0.708 547 A CB -0.474 18.709 19.000 0.305 0.000 0.805 547 A HN 0.652 nan 8.150 nan 0.000 0.460 548 S N -1.790 113.920 115.700 0.018 0.000 2.593 548 S HA 0.019 4.489 4.470 -0.000 0.000 0.217 548 S C 1.133 175.683 174.600 -0.083 0.000 0.966 548 S CA 0.955 59.166 58.200 0.019 0.000 0.914 548 S CB -0.370 62.849 63.200 0.032 0.000 0.776 548 S HN 0.322 nan 8.310 nan 0.000 0.523 549 T N 1.074 115.513 114.554 -0.191 0.000 3.065 549 T HA 0.313 4.663 4.350 -0.000 0.000 0.252 549 T C -0.082 174.190 174.700 -0.714 0.000 1.099 549 T CA 0.361 62.172 62.100 -0.482 0.000 1.063 549 T CB -0.256 68.236 68.868 -0.626 0.000 0.948 549 T HN 0.539 nan 8.240 nan 0.000 0.506 550 F N 0.972 120.785 119.950 -0.228 0.000 2.791 550 F HA 0.458 4.985 4.527 0.000 0.000 0.308 550 F C 1.317 177.100 175.800 -0.027 0.000 1.138 550 F CA -1.315 56.596 58.000 -0.148 0.000 1.294 550 F CB -0.138 38.730 39.000 -0.221 0.000 0.975 550 F HN 0.060 nan 8.300 nan 0.000 0.512 551 G N 1.303 110.176 108.800 0.122 0.000 2.256 551 G HA2 0.237 4.197 3.960 -0.000 0.000 0.218 551 G HA3 0.237 4.197 3.960 -0.000 0.000 0.218 551 G C 0.595 175.625 174.900 0.217 0.000 0.485 551 G CA 0.461 45.689 45.100 0.213 0.000 1.003 551 G HN 1.226 nan 8.290 nan 0.000 0.360 552 G N 1.055 109.986 108.800 0.218 0.000 2.603 552 G HA2 0.240 4.200 3.960 -0.000 0.000 0.686 552 G HA3 0.240 4.200 3.960 -0.000 0.000 0.686 552 G C 0.258 175.248 174.900 0.151 0.000 1.286 552 G CA 0.617 45.832 45.100 0.191 0.000 0.871 552 G HN 1.201 nan 8.290 nan 0.000 0.568 553 E N -0.898 119.371 120.200 0.114 0.000 2.230 553 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 553 E C 2.691 179.350 176.600 0.098 0.000 0.987 553 E CA 1.856 58.325 56.400 0.115 0.000 0.841 553 E CB 0.053 29.793 29.700 0.066 0.000 0.783 553 E HN 1.095 nan 8.360 nan 0.000 0.481 554 V N -1.262 118.699 119.914 0.079 0.000 2.407 554 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 554 V C 2.214 178.358 176.094 0.084 0.000 1.055 554 V CA 1.798 64.136 62.300 0.064 0.000 1.049 554 V CB -1.495 30.357 31.823 0.049 0.000 0.662 554 V HN 0.274 nan 8.190 nan 0.000 0.455 555 G N -0.689 108.182 108.800 0.118 0.000 2.434 555 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 555 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 555 G C 1.408 176.322 174.900 0.023 0.000 1.202 555 G CA 0.951 46.131 45.100 0.134 0.000 0.788 555 G HN 0.367 nan 8.290 nan 0.000 0.539 556 F N 2.444 122.266 119.950 -0.213 0.000 2.087 556 F HA -0.148 4.379 4.527 0.000 0.000 0.299 556 F C 2.571 178.183 175.800 -0.313 0.000 1.100 556 F CA 1.421 59.123 58.000 -0.497 0.000 1.226 556 F CB -0.491 38.274 39.000 -0.391 0.000 0.983 556 F HN 0.112 nan 8.300 nan 0.000 0.479 557 N N 0.304 119.038 118.700 0.056 0.000 2.223 557 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 557 N C 2.146 177.679 175.510 0.038 0.000 1.016 557 N CA 1.054 54.109 53.050 0.008 0.000 0.863 557 N CB -0.499 37.992 38.487 0.008 0.000 0.983 557 N HN 0.334 nan 8.380 nan 0.000 0.429 558 L N 0.521 121.775 121.223 0.052 0.000 2.083 558 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 558 L C 2.143 179.080 176.870 0.112 0.000 1.083 558 L CA 0.759 55.647 54.840 0.079 0.000 0.752 558 L CB -0.251 41.863 42.059 0.092 0.000 0.899 558 L HN -0.027 nan 8.230 nan 0.000 0.433 559 V N -0.440 119.525 119.914 0.084 0.000 2.591 559 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 559 V C 2.119 178.374 176.094 0.269 0.000 1.053 559 V CA 1.418 63.821 62.300 0.173 0.000 1.068 559 V CB -0.378 31.457 31.823 0.019 0.000 0.689 559 V HN 0.400 nan 8.190 nan 0.000 0.462 560 K N 0.481 120.979 120.400 0.163 0.000 2.459 560 K HA 0.012 4.332 4.320 -0.000 0.000 0.193 560 K C 1.176 177.853 176.600 0.128 0.000 1.030 560 K CA 1.267 57.644 56.287 0.149 0.000 1.026 560 K CB 0.071 32.559 32.500 -0.021 0.000 0.809 560 K HN 0.654 nan 8.250 nan 0.000 0.504 561 T N -2.571 112.052 114.554 0.116 0.000 3.393 561 T HA 0.420 4.770 4.350 -0.000 0.000 0.298 561 T C 0.236 174.997 174.700 0.101 0.000 1.004 561 T CA -0.672 61.484 62.100 0.093 0.000 0.956 561 T CB 0.463 69.364 68.868 0.054 0.000 1.182 561 T HN 0.047 nan 8.240 nan 0.000 0.497 562 A N 1.423 124.329 122.820 0.142 0.000 2.386 562 A HA 0.681 5.001 4.320 -0.000 0.000 0.246 562 A C 0.352 178.003 177.584 0.111 0.000 1.089 562 A CA -0.078 52.042 52.037 0.138 0.000 0.790 562 A CB 0.074 19.196 19.000 0.203 0.000 1.042 562 A HN 0.538 nan 8.150 nan 0.000 0.497 563 T N 0.528 115.131 114.554 0.082 0.000 2.893 563 T HA 0.260 4.610 4.350 -0.000 0.000 0.337 563 T C 0.949 175.655 174.700 0.009 0.000 1.587 563 T CA -0.634 61.491 62.100 0.042 0.000 1.066 563 T CB 0.900 69.775 68.868 0.013 0.000 1.414 563 T HN 0.537 nan 8.240 nan 0.000 0.488 564 L N 1.564 122.762 121.223 -0.042 0.000 1.989 564 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 564 L C 2.732 179.548 176.870 -0.091 0.000 1.071 564 L CA 1.979 56.773 54.840 -0.075 0.000 0.749 564 L CB -0.301 41.582 42.059 -0.294 0.000 0.890 564 L HN 0.801 nan 8.230 nan 0.000 0.431 565 K N 0.199 120.533 120.400 -0.111 0.000 2.059 565 K HA -0.270 4.050 4.320 -0.000 0.000 0.212 565 K C 2.034 178.588 176.600 -0.076 0.000 1.050 565 K CA 2.051 58.277 56.287 -0.101 0.000 0.927 565 K CB -0.024 32.424 32.500 -0.087 0.000 0.714 565 K HN 0.291 nan 8.250 nan 0.000 0.447 566 K N 0.194 120.562 120.400 -0.054 0.000 2.062 566 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 566 K C 2.090 178.641 176.600 -0.080 0.000 1.051 566 K CA 1.084 57.343 56.287 -0.047 0.000 0.941 566 K CB -0.253 32.237 32.500 -0.016 0.000 0.719 566 K HN 0.091 nan 8.250 nan 0.000 0.440 567 L N 1.183 122.341 121.223 -0.107 0.000 2.129 567 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 567 L C 1.809 178.547 176.870 -0.219 0.000 1.087 567 L CA 1.551 56.262 54.840 -0.215 0.000 0.757 567 L CB -0.129 41.745 42.059 -0.309 0.000 0.896 567 L HN -0.056 nan 8.230 nan 0.000 0.434 568 V N -2.280 117.539 119.914 -0.158 0.000 2.423 568 V HA -0.176 3.944 4.120 -0.000 0.000 0.233 568 V C 2.264 178.292 176.094 -0.111 0.000 1.067 568 V CA 1.268 63.479 62.300 -0.148 0.000 1.073 568 V CB -0.457 31.289 31.823 -0.128 0.000 0.715 568 V HN 0.437 nan 8.190 nan 0.000 0.485 569 c N 0.700 119.248 118.600 -0.087 0.000 2.385 569 c HA -0.099 4.471 4.570 -0.000 0.000 0.312 569 c C 2.147 176.204 174.090 -0.054 0.000 1.472 569 c CA 0.628 56.919 56.329 -0.062 0.000 1.775 569 c CB -1.606 40.874 42.510 -0.050 0.000 1.662 569 c HN 0.471 nan 8.230 nan 0.000 0.583 570 L N 0.406 121.591 121.223 -0.064 0.000 2.693 570 L HA 0.229 4.569 4.340 -0.000 0.000 0.235 570 L C 1.016 177.850 176.870 -0.060 0.000 1.127 570 L CA 1.172 55.981 54.840 -0.051 0.000 0.914 570 L CB -0.360 41.673 42.059 -0.043 0.000 1.193 570 L HN 0.300 nan 8.230 nan 0.000 0.502 571 N N -1.005 117.647 118.700 -0.081 0.000 2.305 571 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 571 N C 0.023 175.475 175.510 -0.097 0.000 1.290 571 N CA 0.299 53.294 53.050 -0.092 0.000 0.873 571 N CB 1.357 39.772 38.487 -0.119 0.000 1.261 571 N HN 0.242 nan 8.380 nan 0.000 0.504 572 T N -3.111 111.398 114.554 -0.075 0.000 2.883 572 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 572 T C 0.872 175.550 174.700 -0.037 0.000 1.117 572 T CA -0.585 61.477 62.100 -0.064 0.000 1.006 572 T CB 2.545 71.373 68.868 -0.066 0.000 1.191 572 T HN -0.355 nan 8.240 nan 0.000 0.508 573 K N 0.892 121.279 120.400 -0.022 0.000 2.155 573 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 573 K C 1.000 177.597 176.600 -0.006 0.000 1.052 573 K CA 1.188 57.471 56.287 -0.007 0.000 0.948 573 K CB -0.354 32.150 32.500 0.006 0.000 0.728 573 K HN 0.940 nan 8.250 nan 0.000 0.448 574 T N -2.534 112.015 114.554 -0.008 0.000 2.916 574 T HA 0.211 4.561 4.350 -0.000 0.000 0.305 574 T C -0.566 174.127 174.700 -0.011 0.000 1.119 574 T CA -0.937 61.160 62.100 -0.004 0.000 1.008 574 T CB 1.813 70.684 68.868 0.005 0.000 1.129 574 T HN 0.029 nan 8.240 nan 0.000 0.480 575 c N 5.155 123.750 118.600 -0.007 0.000 2.383 575 c HA 0.533 5.103 4.570 -0.000 0.000 0.350 575 c C -1.157 172.935 174.090 0.004 0.000 1.173 575 c CA -1.059 55.263 56.329 -0.012 0.000 1.645 575 c CB -1.030 41.474 42.510 -0.010 0.000 2.221 575 c HN 0.780 nan 8.230 nan 0.000 0.528 576 P HA 0.172 nan 4.420 nan 0.000 0.323 576 P C -1.320 176.014 177.300 0.056 0.000 1.309 576 P CA -0.363 62.756 63.100 0.033 0.000 0.739 576 P CB 0.483 32.193 31.700 0.016 0.000 1.454 577 Y N 0.293 120.580 120.300 -0.021 0.000 2.326 577 Y HA 0.485 5.035 4.550 -0.000 0.000 0.337 577 Y C -0.760 175.128 175.900 -0.020 0.000 1.023 577 Y CA -0.558 57.528 58.100 -0.024 0.000 1.143 577 Y CB 0.646 39.091 38.460 -0.025 0.000 1.183 577 Y HN 0.220 nan 8.280 nan 0.000 0.485 578 V N 6.404 125.845 119.914 -0.789 0.000 2.851 578 V HA 0.895 5.015 4.120 -0.000 0.000 0.307 578 V C -1.483 174.206 176.094 -0.674 0.000 1.129 578 V CA 0.444 62.391 62.300 -0.589 0.000 0.932 578 V CB 1.621 33.293 31.823 -0.253 0.000 1.024 578 V HN 1.205 nan 8.190 nan 0.000 0.426 579 S N 4.827 120.232 115.700 -0.493 0.000 2.656 579 S HA 0.463 4.933 4.470 -0.000 0.000 0.265 579 S C -0.412 174.143 174.600 -0.074 0.000 1.110 579 S CA -0.490 57.483 58.200 -0.378 0.000 0.821 579 S CB 0.744 63.623 63.200 -0.534 0.000 1.099 579 S HN 0.762 nan 8.310 nan 0.000 0.471 580 F N 2.138 122.134 119.950 0.077 0.000 2.692 580 F HA 0.267 4.794 4.527 0.000 0.000 0.303 580 F C 1.101 176.961 175.800 0.100 0.000 1.114 580 F CA -0.177 57.924 58.000 0.169 0.000 1.361 580 F CB 0.194 39.315 39.000 0.202 0.000 1.063 580 F HN 0.673 nan 8.300 nan 0.000 0.550 581 H N -1.961 117.217 119.070 0.180 0.000 2.954 581 H HA 0.284 4.840 4.556 -0.000 0.000 0.361 581 H C -0.977 174.458 175.328 0.178 0.000 1.122 581 H CA -0.960 55.144 56.048 0.093 0.000 1.217 581 H CB 0.826 30.594 29.762 0.011 0.000 1.776 581 H HN -0.139 nan 8.280 nan 0.000 0.533 582 V N 3.611 123.595 119.914 0.117 0.000 3.032 582 V HA 0.138 4.258 4.120 -0.000 0.000 0.307 582 V C -1.886 174.258 176.094 0.083 0.000 1.097 582 V CA -0.638 61.724 62.300 0.102 0.000 1.191 582 V CB 0.584 32.450 31.823 0.071 0.000 0.964 582 V HN 0.799 nan 8.190 nan 0.000 0.494 583 P HA 0.288 nan 4.420 nan 0.000 0.277 583 P C -0.399 176.878 177.300 -0.039 0.000 1.271 583 P CA 0.124 63.169 63.100 -0.092 0.000 0.795 583 P CB 0.505 31.895 31.700 -0.516 0.000 1.101 584 D N 0.000 120.390 120.400 -0.016 0.000 6.856 584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 584 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 584 D CB 0.000 40.774 40.800 -0.044 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683