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 3n8w_1_B DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDcTR TGYSGPNcTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVQS 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 0.000 177.322 177.300 0.037 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 0.043 0.000 0.726 33 V N -0.014 119.927 119.914 0.045 0.000 2.963 33 V HA 0.363 4.483 4.120 0.001 0.000 0.306 33 V C 0.531 176.649 176.094 0.040 0.000 1.077 33 V CA -0.365 61.955 62.300 0.033 0.000 1.124 33 V CB 0.778 32.622 31.823 0.034 0.000 0.987 33 V HN 0.682 nan 8.190 nan 0.000 0.487 34 N N 5.162 123.861 118.700 -0.002 0.000 2.431 34 N HA 0.245 4.986 4.740 0.001 0.000 0.265 34 N C -1.132 174.375 175.510 -0.005 0.000 1.184 34 N CA -1.875 51.170 53.050 -0.009 0.000 0.943 34 N CB 1.034 39.494 38.487 -0.045 0.000 1.080 34 N HN 0.597 nan 8.380 nan 0.000 0.477 35 P HA -0.082 nan 4.420 nan 0.000 0.218 35 P C 0.983 178.229 177.300 -0.090 0.000 1.149 35 P CA 0.833 63.972 63.100 0.066 0.000 0.817 35 P CB 0.070 31.819 31.700 0.082 0.000 0.785 36 c N -0.875 117.646 118.600 -0.131 0.000 2.422 36 c HA -0.063 4.508 4.570 0.001 0.000 0.286 36 c C 2.946 176.853 174.090 -0.305 0.000 1.412 36 c CA 0.426 56.649 56.329 -0.178 0.000 1.786 36 c CB -2.341 40.121 42.510 -0.079 0.000 1.835 36 c HN 0.340 nan 8.230 nan 0.000 0.533 37 c N -0.633 117.739 118.600 -0.380 0.000 2.472 37 c HA -0.035 4.536 4.570 0.001 0.000 0.278 37 c C 2.024 175.536 174.090 -0.963 0.000 1.447 37 c CA 0.507 56.423 56.329 -0.687 0.000 1.773 37 c CB -1.567 40.631 42.510 -0.520 0.000 1.793 37 c HN 0.710 nan 8.230 nan 0.000 0.544 38 Y N -1.304 118.689 120.300 -0.512 0.000 2.529 38 Y HA 0.086 4.637 4.550 0.001 0.000 0.290 38 Y C 0.605 176.326 175.900 -0.298 0.000 1.177 38 Y CA 0.070 57.948 58.100 -0.369 0.000 1.305 38 Y CB -0.714 37.606 38.460 -0.234 0.000 1.047 38 Y HN 0.296 nan 8.280 nan 0.000 0.522 39 Y N -0.838 119.441 120.300 -0.036 0.000 2.981 39 Y HA -0.209 4.342 4.550 0.001 0.000 0.204 39 Y C -1.758 174.094 175.900 -0.081 0.000 1.265 39 Y CA -0.714 57.341 58.100 -0.074 0.000 0.941 39 Y CB -1.803 36.608 38.460 -0.081 0.000 1.254 39 Y HN 0.215 nan 8.280 nan 0.000 0.469 40 P HA 0.061 nan 4.420 nan 0.000 0.242 40 P C 0.072 177.369 177.300 -0.004 0.000 1.197 40 P CA 0.621 63.669 63.100 -0.087 0.000 0.765 40 P CB 0.315 31.783 31.700 -0.387 0.000 0.936 41 c N 1.217 119.824 118.600 0.012 0.000 2.396 41 c HA 0.408 4.979 4.570 0.001 0.000 0.321 41 c C 0.234 174.287 174.090 -0.061 0.000 1.233 41 c CA -0.620 55.719 56.329 0.018 0.000 1.440 41 c CB 1.515 44.074 42.510 0.082 0.000 2.110 41 c HN 0.180 nan 8.230 nan 0.000 0.473 42 Q N 0.837 120.551 119.800 -0.143 0.000 2.212 42 Q HA 0.314 4.655 4.340 0.001 0.000 0.238 42 Q C 0.204 176.002 176.000 -0.337 0.000 0.955 42 Q CA -0.238 55.332 55.803 -0.388 0.000 0.906 42 Q CB 0.344 28.685 28.738 -0.662 0.000 1.215 42 Q HN 0.975 nan 8.270 nan 0.000 0.478 43 H N 0.325 119.274 119.070 -0.201 0.000 2.820 43 H HA -0.217 4.340 4.556 0.002 0.000 0.295 43 H C -0.441 174.845 175.328 -0.069 0.000 1.187 43 H CA 0.752 56.693 56.048 -0.179 0.000 1.144 43 H CB -1.629 27.899 29.762 -0.390 0.000 1.354 43 H HN 0.712 nan 8.280 nan 0.000 0.395 44 Q N -3.188 116.603 119.800 -0.015 0.000 2.488 44 Q HA -0.123 4.218 4.340 0.001 0.000 0.260 44 Q C 0.863 176.890 176.000 0.045 0.000 0.842 44 Q CA 0.573 56.376 55.803 0.001 0.000 1.161 44 Q CB -1.466 27.270 28.738 -0.003 0.000 1.348 44 Q HN 0.758 nan 8.270 nan 0.000 0.639 45 G N 0.538 109.370 108.800 0.053 0.000 2.442 45 G HA2 0.467 4.428 3.960 0.001 0.000 0.249 45 G HA3 0.467 4.428 3.960 0.001 0.000 0.249 45 G C -0.114 174.842 174.900 0.092 0.000 1.263 45 G CA -0.463 44.687 45.100 0.084 0.000 0.846 45 G HN 0.141 nan 8.290 nan 0.000 0.555 46 I N 1.302 121.943 120.570 0.118 0.000 2.312 46 I HA 0.139 4.310 4.170 0.001 0.000 0.291 46 I C 0.648 176.853 176.117 0.146 0.000 1.031 46 I CA -0.292 61.088 61.300 0.134 0.000 1.293 46 I CB 1.338 39.431 38.000 0.156 0.000 1.403 46 I HN 0.367 nan 8.210 nan 0.000 0.484 47 c N 7.780 126.456 118.600 0.126 0.000 2.627 47 c HA 0.469 5.040 4.570 0.001 0.000 0.404 47 c C 0.219 174.394 174.090 0.141 0.000 1.340 47 c CA -0.194 56.227 56.329 0.152 0.000 1.758 47 c CB -0.997 41.559 42.510 0.077 0.000 2.501 47 c HN 0.568 nan 8.230 nan 0.000 0.588 48 V N 8.386 128.430 119.914 0.217 0.000 2.531 48 V HA 0.447 4.568 4.120 0.001 0.000 0.301 48 V C 0.196 176.392 176.094 0.170 0.000 1.034 48 V CA -0.608 61.768 62.300 0.127 0.000 0.865 48 V CB 1.602 33.483 31.823 0.097 0.000 0.995 48 V HN 0.803 nan 8.190 nan 0.000 0.424 49 R N 3.452 123.960 120.500 0.013 0.000 2.449 49 R HA 0.409 4.750 4.340 0.001 0.000 0.296 49 R C -1.244 174.971 176.300 -0.143 0.000 1.047 49 R CA 0.330 56.450 56.100 0.033 0.000 1.018 49 R CB 0.363 30.653 30.300 -0.016 0.000 0.962 49 R HN 0.514 nan 8.270 nan 0.000 0.428 50 F N 0.897 120.872 119.950 0.041 0.000 2.546 50 F HA 0.409 4.937 4.527 0.001 0.000 0.320 50 F C 1.230 177.037 175.800 0.012 0.000 1.076 50 F CA 0.290 58.297 58.000 0.013 0.000 0.928 50 F CB 2.049 41.048 39.000 -0.002 0.000 1.189 50 F HN 0.791 nan 8.300 nan 0.000 0.465 51 G N 2.101 111.007 108.800 0.176 0.000 2.582 51 G HA2 -0.299 3.662 3.960 0.001 0.000 0.288 51 G HA3 -0.299 3.662 3.960 0.001 0.000 0.288 51 G C 0.494 175.433 174.900 0.064 0.000 1.247 51 G CA 0.491 45.652 45.100 0.101 0.000 0.972 51 G HN 0.657 nan 8.290 nan 0.000 0.557 52 L N 0.587 121.844 121.223 0.058 0.000 2.388 52 L HA 0.292 4.633 4.340 0.001 0.000 0.209 52 L C 1.780 178.684 176.870 0.056 0.000 1.061 52 L CA 1.353 56.219 54.840 0.044 0.000 0.834 52 L CB -0.011 42.068 42.059 0.033 0.000 1.029 52 L HN 0.689 nan 8.230 nan 0.000 0.473 53 D N -1.481 118.961 120.400 0.070 0.000 2.556 53 D HA 0.119 4.760 4.640 0.001 0.000 0.237 53 D C 0.489 176.860 176.300 0.119 0.000 1.296 53 D CA -0.264 53.785 54.000 0.083 0.000 0.807 53 D CB 0.389 41.227 40.800 0.063 0.000 1.084 53 D HN 0.035 nan 8.370 nan 0.000 0.510 54 R N -0.023 120.558 120.500 0.134 0.000 2.828 54 R HA 0.655 4.996 4.340 0.001 0.000 0.264 54 R C -0.972 175.487 176.300 0.265 0.000 1.022 54 R CA -0.909 55.282 56.100 0.151 0.000 1.021 54 R CB 1.408 31.752 30.300 0.074 0.000 1.163 54 R HN 0.172 nan 8.270 nan 0.000 0.494 55 Y N -1.959 118.410 120.300 0.116 0.000 2.581 55 Y HA 0.594 5.145 4.550 0.001 0.000 0.345 55 Y C -1.166 174.817 175.900 0.139 0.000 1.036 55 Y CA -1.073 57.126 58.100 0.166 0.000 1.042 55 Y CB 1.740 40.265 38.460 0.108 0.000 1.289 55 Y HN 0.398 nan 8.280 nan 0.000 0.471 56 Q N 1.054 120.987 119.800 0.222 0.000 2.495 56 Q HA 0.711 5.051 4.340 0.001 0.000 0.287 56 Q C -1.793 174.347 176.000 0.234 0.000 1.078 56 Q CA -1.015 54.796 55.803 0.013 0.000 0.793 56 Q CB 3.053 31.681 28.738 -0.183 0.000 1.459 56 Q HN 0.888 nan 8.270 nan 0.000 0.422 57 c N 0.865 119.550 118.600 0.141 0.000 2.441 57 c HA 0.341 4.912 4.570 0.001 0.000 0.318 57 c C -0.686 173.476 174.090 0.120 0.000 1.222 57 c CA -0.634 55.800 56.329 0.174 0.000 1.474 57 c CB 1.148 43.772 42.510 0.190 0.000 2.125 57 c HN 0.739 nan 8.230 nan 0.000 0.479 58 D N 1.496 121.975 120.400 0.132 0.000 2.468 58 D HA 0.245 4.886 4.640 0.001 0.000 0.218 58 D C 0.639 177.000 176.300 0.102 0.000 1.155 58 D CA -0.237 53.828 54.000 0.109 0.000 0.924 58 D CB 0.339 41.210 40.800 0.118 0.000 1.029 58 D HN 0.627 nan 8.370 nan 0.000 0.515 59 c N 2.421 121.079 118.600 0.097 0.000 2.546 59 c HA 0.053 4.624 4.570 0.001 0.000 0.275 59 c C 0.908 175.060 174.090 0.103 0.000 1.393 59 c CA -0.191 56.206 56.329 0.113 0.000 1.703 59 c CB -1.785 40.800 42.510 0.125 0.000 1.710 59 c HN 0.519 nan 8.230 nan 0.000 0.581 60 T N 2.063 116.666 114.554 0.082 0.000 2.750 60 T HA -0.013 4.338 4.350 0.001 0.000 0.277 60 T C 0.922 175.662 174.700 0.067 0.000 0.996 60 T CA 0.660 62.799 62.100 0.066 0.000 1.195 60 T CB -0.139 68.762 68.868 0.056 0.000 0.963 60 T HN 0.631 nan 8.240 nan 0.000 0.516 61 R N 0.340 120.877 120.500 0.062 0.000 3.863 61 R HA -0.215 4.126 4.340 0.001 0.000 0.313 61 R C 1.500 177.844 176.300 0.074 0.000 1.202 61 R CA 1.153 57.287 56.100 0.056 0.000 0.852 61 R CB -2.486 27.836 30.300 0.037 0.000 1.292 61 R HN 0.906 nan 8.270 nan 0.000 0.519 62 T N -4.459 110.164 114.554 0.114 0.000 3.081 62 T HA 0.262 4.613 4.350 0.001 0.000 0.255 62 T C 1.482 176.318 174.700 0.227 0.000 1.113 62 T CA 0.816 63.022 62.100 0.177 0.000 1.082 62 T CB 0.910 69.913 68.868 0.225 0.000 0.939 62 T HN 0.659 nan 8.240 nan 0.000 0.506 63 G N 0.217 109.086 108.800 0.114 0.000 2.175 63 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 63 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 63 G C -0.202 174.541 174.900 -0.261 0.000 0.982 63 G CA 0.101 45.164 45.100 -0.061 0.000 0.641 63 G HN 0.619 nan 8.290 nan 0.000 0.527 64 Y N 0.102 120.419 120.300 0.028 0.000 2.570 64 Y HA 0.793 5.344 4.550 0.002 0.000 0.345 64 Y C 0.482 176.408 175.900 0.044 0.000 1.014 64 Y CA -0.238 57.882 58.100 0.033 0.000 1.063 64 Y CB 2.177 40.672 38.460 0.058 0.000 1.272 64 Y HN 0.289 nan 8.280 nan 0.000 0.477 65 S N 0.176 115.994 115.700 0.197 0.000 2.745 65 S HA 0.879 5.350 4.470 0.001 0.000 0.306 65 S C -0.295 174.375 174.600 0.115 0.000 1.137 65 S CA 0.143 58.411 58.200 0.114 0.000 0.900 65 S CB 1.387 64.618 63.200 0.052 0.000 1.176 65 S HN 1.640 nan 8.310 nan 0.000 0.520 66 G N 1.586 110.426 108.800 0.066 0.000 2.756 66 G HA2 -0.097 3.864 3.960 0.001 0.000 0.678 66 G HA3 -0.097 3.864 3.960 0.001 0.000 0.678 66 G C -2.011 172.917 174.900 0.046 0.000 1.349 66 G CA -0.216 44.914 45.100 0.050 0.000 0.847 66 G HN 0.587 nan 8.290 nan 0.000 0.548 67 P HA -0.081 nan 4.420 nan 0.000 0.215 67 P C 1.064 178.407 177.300 0.070 0.000 1.153 67 P CA 1.600 64.703 63.100 0.005 0.000 0.853 67 P CB 0.028 31.714 31.700 -0.022 0.000 0.788 68 N N -1.812 116.946 118.700 0.096 0.000 2.236 68 N HA 0.067 4.808 4.740 0.001 0.000 0.196 68 N C -0.146 175.420 175.510 0.093 0.000 1.114 68 N CA 0.057 53.180 53.050 0.122 0.000 0.859 68 N CB -0.428 38.121 38.487 0.103 0.000 0.982 68 N HN 0.065 nan 8.380 nan 0.000 0.493 69 c N 0.620 119.287 118.600 0.111 0.000 4.388 69 c HA -0.099 4.472 4.570 0.001 0.000 0.310 69 c C 1.511 175.687 174.090 0.144 0.000 1.261 69 c CA 0.788 57.209 56.329 0.154 0.000 2.114 69 c CB -3.041 39.555 42.510 0.144 0.000 1.281 69 c HN 0.588 nan 8.230 nan 0.000 0.706 70 T N -4.282 110.377 114.554 0.175 0.000 3.003 70 T HA 0.462 4.813 4.350 0.001 0.000 0.261 70 T C 0.048 174.937 174.700 0.315 0.000 1.003 70 T CA 0.049 62.263 62.100 0.190 0.000 0.917 70 T CB 0.220 69.155 68.868 0.112 0.000 1.084 70 T HN 0.440 nan 8.240 nan 0.000 0.522 71 I N 4.478 125.228 120.570 0.300 0.000 2.304 71 I HA 0.408 4.579 4.170 0.001 0.000 0.291 71 I C -2.422 173.811 176.117 0.193 0.000 1.018 71 I CA -2.500 58.926 61.300 0.210 0.000 1.260 71 I CB 1.252 39.308 38.000 0.093 0.000 1.390 71 I HN 0.002 nan 8.210 nan 0.000 0.475 72 P HA 0.247 nan 4.420 nan 0.000 0.282 72 P C -0.564 176.621 177.300 -0.191 0.000 1.249 72 P CA -0.578 62.342 63.100 -0.300 0.000 0.806 72 P CB 0.814 32.421 31.700 -0.154 0.000 0.984 73 E N 0.968 121.023 120.200 -0.242 0.000 2.371 73 E HA 0.110 4.461 4.350 0.001 0.000 0.257 73 E C 1.226 177.764 176.600 -0.104 0.000 1.134 73 E CA -0.470 55.847 56.400 -0.139 0.000 0.919 73 E CB 0.584 30.234 29.700 -0.084 0.000 1.025 73 E HN 0.394 nan 8.360 nan 0.000 0.438 74 I N 0.561 121.019 120.570 -0.186 0.000 2.335 74 I HA -0.259 3.912 4.170 0.001 0.000 0.251 74 I C 1.176 177.204 176.117 -0.149 0.000 1.129 74 I CA 1.498 62.650 61.300 -0.247 0.000 1.402 74 I CB 0.089 37.812 38.000 -0.461 0.000 1.069 74 I HN 0.602 nan 8.210 nan 0.000 0.424 75 W N 0.175 121.493 121.300 0.030 0.000 2.443 75 W HA -0.133 4.528 4.660 0.001 0.000 0.296 75 W C 2.652 179.170 176.519 -0.001 0.000 1.202 75 W CA 1.105 58.463 57.345 0.021 0.000 1.312 75 W CB -0.798 28.657 29.460 -0.007 0.000 1.120 75 W HN -0.026 nan 8.180 nan 0.000 0.536 76 T N -0.242 114.405 114.554 0.154 0.000 2.652 76 T HA -0.315 4.036 4.350 0.001 0.000 0.267 76 T C 1.162 175.870 174.700 0.014 0.000 1.039 76 T CA 1.640 63.730 62.100 -0.017 0.000 1.153 76 T CB -1.015 67.665 68.868 -0.312 0.000 0.863 76 T HN 0.321 nan 8.240 nan 0.000 0.428 77 W N 1.602 122.819 121.300 -0.138 0.000 2.317 77 W HA -0.145 4.516 4.660 0.001 0.000 0.318 77 W C 2.038 178.535 176.519 -0.038 0.000 1.227 77 W CA 1.003 58.292 57.345 -0.092 0.000 1.269 77 W CB -0.790 28.606 29.460 -0.107 0.000 1.155 77 W HN 0.187 nan 8.180 nan 0.000 0.484 78 L N 1.089 122.373 121.223 0.102 0.000 2.079 78 L HA -0.223 4.118 4.340 0.001 0.000 0.210 78 L C 2.947 179.742 176.870 -0.124 0.000 1.081 78 L CA 2.712 57.510 54.840 -0.071 0.000 0.752 78 L CB -0.927 41.243 42.059 0.184 0.000 0.896 78 L HN 0.116 nan 8.230 nan 0.000 0.433 79 R N -1.201 119.284 120.500 -0.025 0.000 2.189 79 R HA -0.060 4.281 4.340 0.001 0.000 0.218 79 R C 1.919 178.167 176.300 -0.087 0.000 1.074 79 R CA 1.629 57.712 56.100 -0.029 0.000 0.991 79 R CB -1.969 28.345 30.300 0.023 0.000 0.883 79 R HN 0.504 nan 8.270 nan 0.000 0.457 80 T N 0.543 115.008 114.554 -0.148 0.000 2.698 80 T HA -0.163 4.188 4.350 0.001 0.000 0.260 80 T C 2.310 176.892 174.700 -0.196 0.000 1.044 80 T CA 2.123 64.135 62.100 -0.146 0.000 1.149 80 T CB -0.422 68.364 68.868 -0.138 0.000 0.864 80 T HN 0.715 nan 8.240 nan 0.000 0.419 81 T N 1.080 115.429 114.554 -0.340 0.000 2.915 81 T HA 0.025 4.375 4.350 0.001 0.000 0.269 81 T C 1.731 176.303 174.700 -0.214 0.000 1.071 81 T CA 0.712 62.627 62.100 -0.308 0.000 1.132 81 T CB -0.434 68.164 68.868 -0.449 0.000 0.878 81 T HN 0.090 nan 8.240 nan 0.000 0.479 82 L N 0.179 121.289 121.223 -0.187 0.000 2.558 82 L HA 0.307 4.647 4.340 0.001 0.000 0.225 82 L C 1.453 178.274 176.870 -0.083 0.000 1.128 82 L CA 0.347 55.115 54.840 -0.120 0.000 0.868 82 L CB -0.345 41.662 42.059 -0.087 0.000 1.006 82 L HN 0.153 nan 8.230 nan 0.000 0.454 83 R N 2.159 122.612 120.500 -0.078 0.000 2.248 83 R HA 0.210 4.551 4.340 0.001 0.000 0.328 83 R C -2.209 174.062 176.300 -0.048 0.000 1.067 83 R CA -1.450 54.627 56.100 -0.037 0.000 0.924 83 R CB 0.515 30.803 30.300 -0.019 0.000 1.013 83 R HN -0.030 nan 8.270 nan 0.000 0.454 84 P HA 0.057 nan 4.420 nan 0.000 0.277 84 P C -0.656 176.675 177.300 0.052 0.000 1.240 84 P CA -0.431 62.641 63.100 -0.046 0.000 0.798 84 P CB 1.149 32.852 31.700 0.004 0.000 0.979 85 S N 1.652 117.383 115.700 0.051 0.000 2.568 85 S HA 0.116 4.587 4.470 0.001 0.000 0.282 85 S C -1.615 173.085 174.600 0.166 0.000 1.338 85 S CA -0.655 57.600 58.200 0.092 0.000 1.045 85 S CB -0.184 63.060 63.200 0.073 0.000 0.873 85 S HN 0.256 nan 8.310 nan 0.000 0.516 86 P HA -0.061 nan 4.420 nan 0.000 0.218 86 P C 1.408 178.832 177.300 0.208 0.000 1.146 86 P CA 1.177 64.375 63.100 0.163 0.000 0.813 86 P CB -0.093 31.689 31.700 0.137 0.000 0.778 87 S N -1.320 114.510 115.700 0.216 0.000 2.368 87 S HA -0.147 4.324 4.470 0.001 0.000 0.224 87 S C 1.603 176.351 174.600 0.246 0.000 1.029 87 S CA 0.942 59.290 58.200 0.246 0.000 0.988 87 S CB -1.153 62.176 63.200 0.216 0.000 0.838 87 S HN 0.166 nan 8.310 nan 0.000 0.462 88 F N 1.865 121.869 119.950 0.091 0.000 2.171 88 F HA -0.043 4.485 4.527 0.001 0.000 0.300 88 F C 1.799 177.680 175.800 0.134 0.000 1.090 88 F CA 1.193 59.239 58.000 0.077 0.000 1.293 88 F CB -0.188 38.826 39.000 0.022 0.000 1.013 88 F HN 0.110 nan 8.300 nan 0.000 0.486 89 I N -0.608 120.061 120.570 0.165 0.000 2.353 89 I HA -0.270 3.901 4.170 0.001 0.000 0.248 89 I C 2.330 178.413 176.117 -0.057 0.000 1.119 89 I CA 1.447 62.771 61.300 0.040 0.000 1.417 89 I CB -0.659 37.407 38.000 0.109 0.000 1.078 89 I HN 0.179 nan 8.210 nan 0.000 0.421 90 H N 0.677 119.701 119.070 -0.076 0.000 2.387 90 H HA -0.285 4.271 4.556 0.001 0.000 0.299 90 H C 2.006 177.239 175.328 -0.157 0.000 1.099 90 H CA 1.964 57.917 56.048 -0.159 0.000 1.315 90 H CB -0.226 29.367 29.762 -0.282 0.000 1.380 90 H HN 0.316 nan 8.280 nan 0.000 0.513 91 F N 0.473 120.281 119.950 -0.237 0.000 2.134 91 F HA -0.159 4.369 4.527 0.001 0.000 0.299 91 F C 1.990 177.609 175.800 -0.301 0.000 1.097 91 F CA 1.430 59.260 58.000 -0.285 0.000 1.264 91 F CB -0.393 38.400 39.000 -0.345 0.000 1.001 91 F HN 0.175 nan 8.300 nan 0.000 0.479 92 L N -0.192 120.857 121.223 -0.291 0.000 2.046 92 L HA -0.233 4.107 4.340 0.001 0.000 0.208 92 L C 2.359 179.163 176.870 -0.111 0.000 1.077 92 L CA 1.196 55.906 54.840 -0.217 0.000 0.747 92 L CB -0.723 41.258 42.059 -0.129 0.000 0.896 92 L HN 0.220 nan 8.230 nan 0.000 0.432 93 L N -0.712 120.283 121.223 -0.380 0.000 2.395 93 L HA -0.081 4.260 4.340 0.001 0.000 0.218 93 L C 2.067 178.379 176.870 -0.929 0.000 1.130 93 L CA 1.233 55.620 54.840 -0.756 0.000 0.826 93 L CB -0.478 40.907 42.059 -1.124 0.000 0.941 93 L HN 0.411 nan 8.230 nan 0.000 0.451 94 T N -5.348 108.669 114.554 -0.895 0.000 3.085 94 T HA 0.204 4.555 4.350 0.001 0.000 0.264 94 T C 0.199 173.886 174.700 -1.689 0.000 1.019 94 T CA -0.274 61.111 62.100 -1.192 0.000 0.910 94 T CB -0.030 68.369 68.868 -0.782 0.000 1.059 94 T HN 0.148 nan 8.240 nan 0.000 0.542 95 H N -0.234 118.083 119.070 -1.255 0.000 2.946 95 H HA 0.621 5.178 4.556 0.001 0.000 0.365 95 H C 0.550 175.658 175.328 -0.368 0.000 1.197 95 H CA -0.182 55.325 56.048 -0.902 0.000 1.131 95 H CB 1.608 30.719 29.762 -1.085 0.000 1.849 95 H HN 0.270 nan 8.280 nan 0.000 0.555 96 G N 1.548 110.330 108.800 -0.031 0.000 2.545 96 G HA2 -0.256 3.705 3.960 0.001 0.000 0.279 96 G HA3 -0.256 3.705 3.960 0.001 0.000 0.279 96 G C 1.027 176.122 174.900 0.325 0.000 1.131 96 G CA 0.383 45.544 45.100 0.102 0.000 1.100 96 G HN 0.626 nan 8.290 nan 0.000 0.525 97 R N -0.431 120.221 120.500 0.253 0.000 2.119 97 R HA -0.109 4.232 4.340 0.001 0.000 0.246 97 R C 2.258 178.700 176.300 0.238 0.000 1.146 97 R CA 2.843 59.079 56.100 0.227 0.000 0.962 97 R CB -0.319 29.927 30.300 -0.090 0.000 0.863 97 R HN 0.649 nan 8.270 nan 0.000 0.442 98 W N -0.014 121.365 121.300 0.131 0.000 2.358 98 W HA -0.087 4.574 4.660 0.002 0.000 0.303 98 W C 2.013 178.565 176.519 0.055 0.000 1.208 98 W CA 0.649 58.038 57.345 0.073 0.000 1.274 98 W CB -1.162 28.315 29.460 0.027 0.000 1.138 98 W HN 0.213 nan 8.180 nan 0.000 0.515 99 L N -1.031 120.314 121.223 0.203 0.000 2.056 99 L HA -0.135 4.206 4.340 0.001 0.000 0.207 99 L C 2.075 178.912 176.870 -0.055 0.000 1.078 99 L CA 1.948 56.757 54.840 -0.053 0.000 0.749 99 L CB -0.780 41.098 42.059 -0.302 0.000 0.901 99 L HN -0.100 nan 8.230 nan 0.000 0.433 100 W N -0.468 120.931 121.300 0.165 0.000 2.584 100 W HA -0.074 4.587 4.660 0.002 0.000 0.264 100 W C 2.124 178.718 176.519 0.124 0.000 1.264 100 W CA 0.317 57.746 57.345 0.141 0.000 1.306 100 W CB -0.152 29.415 29.460 0.178 0.000 1.110 100 W HN 0.149 nan 8.180 nan 0.000 0.606 101 D N -0.237 120.362 120.400 0.332 0.000 2.117 101 D HA -0.191 4.450 4.640 0.001 0.000 0.198 101 D C 1.751 178.165 176.300 0.190 0.000 0.982 101 D CA 1.139 55.274 54.000 0.226 0.000 0.828 101 D CB -0.794 40.139 40.800 0.221 0.000 0.967 101 D HN 0.084 nan 8.370 nan 0.000 0.464 102 F N 1.259 121.246 119.950 0.062 0.000 2.075 102 F HA -0.216 4.311 4.527 0.001 0.000 0.297 102 F C 2.212 177.998 175.800 -0.023 0.000 1.113 102 F CA 1.096 59.098 58.000 0.002 0.000 1.218 102 F CB -0.347 38.632 39.000 -0.035 0.000 0.984 102 F HN -0.217 nan 8.300 nan 0.000 0.472 103 V N 1.161 121.189 119.914 0.189 0.000 2.255 103 V HA -0.372 3.748 4.120 0.001 0.000 0.247 103 V C 2.163 178.259 176.094 0.004 0.000 1.051 103 V CA 2.329 64.664 62.300 0.057 0.000 1.018 103 V CB -0.857 30.998 31.823 0.053 0.000 0.641 103 V HN 0.405 nan 8.190 nan 0.000 0.445 104 N N 0.358 119.118 118.700 0.101 0.000 2.364 104 N HA -0.087 4.654 4.740 0.001 0.000 0.183 104 N C 1.519 177.024 175.510 -0.008 0.000 1.022 104 N CA 1.458 54.552 53.050 0.074 0.000 0.883 104 N CB -0.260 38.294 38.487 0.111 0.000 0.965 104 N HN 0.534 nan 8.380 nan 0.000 0.438 105 A N 0.118 122.893 122.820 -0.075 0.000 2.275 105 A HA 0.113 4.434 4.320 0.001 0.000 0.212 105 A C 1.111 178.593 177.584 -0.171 0.000 1.201 105 A CA 0.278 52.247 52.037 -0.113 0.000 0.843 105 A CB -0.124 18.799 19.000 -0.128 0.000 0.873 105 A HN 0.364 nan 8.150 nan 0.000 0.492 106 T N -4.605 109.824 114.554 -0.209 0.000 2.762 106 T HA 0.486 4.837 4.350 0.001 0.000 0.272 106 T C 0.802 175.455 174.700 -0.079 0.000 0.982 106 T CA 0.008 61.992 62.100 -0.193 0.000 1.013 106 T CB 0.265 68.876 68.868 -0.428 0.000 1.309 106 T HN 0.490 nan 8.240 nan 0.000 0.572 107 F N 0.326 120.245 119.950 -0.051 0.000 2.407 107 F HA 0.204 4.732 4.527 0.002 0.000 0.299 107 F C 1.820 177.626 175.800 0.010 0.000 1.097 107 F CA 0.073 58.064 58.000 -0.015 0.000 1.422 107 F CB -0.916 38.078 39.000 -0.009 0.000 1.067 107 F HN 0.224 nan 8.300 nan 0.000 0.539 108 I N 1.329 121.485 120.570 -0.691 0.000 2.248 108 I HA -0.298 3.873 4.170 0.001 0.000 0.248 108 I C 2.655 178.717 176.117 -0.092 0.000 1.107 108 I CA 1.530 62.580 61.300 -0.417 0.000 1.373 108 I CB -1.410 36.357 38.000 -0.388 0.000 1.055 108 I HN 0.346 nan 8.210 nan 0.000 0.418 109 R N 1.217 121.693 120.500 -0.041 0.000 2.097 109 R HA -0.228 4.113 4.340 0.001 0.000 0.236 109 R C 1.932 178.268 176.300 0.059 0.000 1.135 109 R CA 2.361 58.491 56.100 0.051 0.000 0.934 109 R CB -0.169 30.160 30.300 0.048 0.000 0.846 109 R HN 0.336 nan 8.270 nan 0.000 0.431 110 D N -0.518 119.918 120.400 0.059 0.000 2.117 110 D HA -0.121 4.520 4.640 0.001 0.000 0.197 110 D C 1.859 178.201 176.300 0.070 0.000 0.987 110 D CA 1.909 55.947 54.000 0.063 0.000 0.829 110 D CB -0.506 40.342 40.800 0.080 0.000 0.961 110 D HN 0.351 nan 8.370 nan 0.000 0.460 111 T N 1.454 116.064 114.554 0.093 0.000 2.652 111 T HA -0.105 4.246 4.350 0.001 0.000 0.267 111 T C 2.306 177.048 174.700 0.071 0.000 1.039 111 T CA 0.727 62.885 62.100 0.096 0.000 1.153 111 T CB -0.414 68.523 68.868 0.116 0.000 0.863 111 T HN 0.122 nan 8.240 nan 0.000 0.428 112 L N -0.223 121.042 121.223 0.070 0.000 2.093 112 L HA -0.039 4.302 4.340 0.001 0.000 0.208 112 L C 2.649 179.567 176.870 0.080 0.000 1.085 112 L CA 0.912 55.804 54.840 0.086 0.000 0.755 112 L CB -0.487 41.652 42.059 0.132 0.000 0.904 112 L HN 0.232 nan 8.230 nan 0.000 0.435 113 M N 0.086 119.731 119.600 0.075 0.000 2.086 113 M HA -0.214 4.266 4.480 0.001 0.000 0.261 113 M C 2.370 178.696 176.300 0.042 0.000 1.067 113 M CA 1.751 57.089 55.300 0.064 0.000 1.116 113 M CB -0.382 32.252 32.600 0.056 0.000 1.348 113 M HN -0.022 nan 8.290 nan 0.000 0.407 114 R N -0.540 119.977 120.500 0.029 0.000 2.103 114 R HA -0.210 4.131 4.340 0.001 0.000 0.242 114 R C 2.031 178.347 176.300 0.026 0.000 1.142 114 R CA 1.961 58.068 56.100 0.012 0.000 0.960 114 R CB -0.639 29.672 30.300 0.019 0.000 0.858 114 R HN 0.418 nan 8.270 nan 0.000 0.439 115 L N -0.080 121.170 121.223 0.045 0.000 2.017 115 L HA -0.133 4.208 4.340 0.001 0.000 0.208 115 L C 2.194 179.099 176.870 0.057 0.000 1.073 115 L CA 1.479 56.349 54.840 0.050 0.000 0.745 115 L CB -0.459 41.634 42.059 0.057 0.000 0.894 115 L HN 0.044 nan 8.230 nan 0.000 0.432 116 V N -0.818 119.136 119.914 0.067 0.000 2.343 116 V HA -0.291 3.830 4.120 0.001 0.000 0.247 116 V C 2.457 178.599 176.094 0.080 0.000 1.051 116 V CA 1.510 63.859 62.300 0.083 0.000 1.036 116 V CB -0.440 31.445 31.823 0.102 0.000 0.654 116 V HN 0.317 nan 8.190 nan 0.000 0.451 117 L N 0.467 121.724 121.223 0.056 0.000 1.994 117 L HA -0.165 4.176 4.340 0.001 0.000 0.208 117 L C 2.860 179.759 176.870 0.049 0.000 1.071 117 L CA 2.830 57.690 54.840 0.033 0.000 0.745 117 L CB -1.428 40.607 42.059 -0.040 0.000 0.892 117 L HN 0.628 nan 8.230 nan 0.000 0.431 118 T N -4.227 110.352 114.554 0.041 0.000 2.770 118 T HA -0.107 4.244 4.350 0.001 0.000 0.263 118 T C 1.915 176.663 174.700 0.081 0.000 1.039 118 T CA 1.265 63.410 62.100 0.074 0.000 1.142 118 T CB -0.930 67.971 68.868 0.055 0.000 0.868 118 T HN 0.051 nan 8.240 nan 0.000 0.435 119 V N 1.865 121.818 119.914 0.066 0.000 2.295 119 V HA -0.187 3.934 4.120 0.001 0.000 0.246 119 V C 2.956 179.089 176.094 0.065 0.000 1.049 119 V CA 1.995 64.331 62.300 0.061 0.000 1.024 119 V CB -0.845 31.014 31.823 0.060 0.000 0.648 119 V HN 0.499 nan 8.190 nan 0.000 0.447 120 Q N 0.228 120.076 119.800 0.080 0.000 2.123 120 Q HA -0.064 4.277 4.340 0.001 0.000 0.199 120 Q C 1.437 177.474 176.000 0.061 0.000 0.966 120 Q CA 1.428 57.279 55.803 0.081 0.000 0.845 120 Q CB 0.004 28.801 28.738 0.098 0.000 0.907 120 Q HN 0.734 nan 8.270 nan 0.000 0.439 121 S N 0.668 116.420 115.700 0.087 0.000 3.208 121 S HA 0.238 4.709 4.470 0.001 0.000 0.195 121 S C -0.470 174.167 174.600 0.060 0.000 1.394 121 S CA -0.793 57.455 58.200 0.080 0.000 1.127 121 S CB -0.004 63.308 63.200 0.186 0.000 1.282 121 S HN 0.156 nan 8.310 nan 0.000 0.513 122 N N 1.441 120.150 118.700 0.014 0.000 2.448 122 N HA 0.431 5.172 4.740 0.001 0.000 0.274 122 N C 1.148 176.630 175.510 -0.047 0.000 1.239 122 N CA -0.883 52.168 53.050 0.000 0.000 0.982 122 N CB 0.125 38.616 38.487 0.007 0.000 1.199 122 N HN 0.292 nan 8.380 nan 0.000 0.576 123 L N -0.138 121.060 121.223 -0.042 0.000 4.936 123 L HA -0.321 4.020 4.340 0.001 0.000 0.454 123 L C 0.032 176.845 176.870 -0.095 0.000 1.046 123 L CA 1.016 55.820 54.840 -0.060 0.000 0.878 123 L CB -1.446 40.579 42.059 -0.057 0.000 1.600 123 L HN 0.691 nan 8.230 nan 0.000 0.981 124 I N -1.483 119.020 120.570 -0.112 0.000 7.369 124 I HA -0.243 3.928 4.170 0.001 0.000 0.126 124 I C -0.962 175.069 176.117 -0.144 0.000 1.710 124 I CA 0.052 61.257 61.300 -0.159 0.000 2.273 124 I CB -0.714 37.139 38.000 -0.244 0.000 3.400 124 I HN 0.085 nan 8.210 nan 0.000 0.235 125 P HA -0.213 nan 4.420 nan 0.000 0.222 125 P C 0.583 177.806 177.300 -0.129 0.000 1.141 125 P CA 1.710 64.730 63.100 -0.133 0.000 0.801 125 P CB -0.147 31.487 31.700 -0.109 0.000 0.749 126 S N -2.249 113.370 115.700 -0.133 0.000 2.562 126 S HA 0.460 4.931 4.470 0.001 0.000 0.275 126 S C -2.592 171.939 174.600 -0.115 0.000 1.281 126 S CA -1.875 56.250 58.200 -0.124 0.000 1.045 126 S CB 0.539 63.642 63.200 -0.162 0.000 0.962 126 S HN -0.143 nan 8.310 nan 0.000 0.503 127 P HA 0.153 nan 4.420 nan 0.000 0.267 127 P C -2.242 175.025 177.300 -0.053 0.000 1.201 127 P CA -0.847 62.242 63.100 -0.018 0.000 0.775 127 P CB -0.351 31.355 31.700 0.009 0.000 0.854 128 P HA -0.027 nan 4.420 nan 0.000 0.271 128 P C 0.278 177.498 177.300 -0.133 0.000 1.233 128 P CA 0.301 63.343 63.100 -0.098 0.000 0.789 128 P CB 0.518 32.156 31.700 -0.103 0.000 0.951 129 T N -1.591 112.819 114.554 -0.241 0.000 3.499 129 T HA 0.186 4.537 4.350 0.001 0.000 0.227 129 T C 0.621 175.157 174.700 -0.274 0.000 0.946 129 T CA 0.269 62.122 62.100 -0.412 0.000 1.368 129 T CB -0.684 67.629 68.868 -0.926 0.000 1.227 129 T HN 0.358 nan 8.240 nan 0.000 0.398 130 Y N 2.822 123.091 120.300 -0.051 0.000 2.568 130 Y HA 0.689 5.240 4.550 0.002 0.000 0.327 130 Y C 0.469 176.304 175.900 -0.109 0.000 1.163 130 Y CA -1.287 56.758 58.100 -0.092 0.000 1.219 130 Y CB 1.014 39.438 38.460 -0.060 0.000 1.308 130 Y HN 0.594 nan 8.280 nan 0.000 0.503 131 N N -0.829 117.874 118.700 0.006 0.000 3.316 131 N HA 0.168 4.909 4.740 0.001 0.000 0.300 131 N C -0.219 175.229 175.510 -0.102 0.000 1.567 131 N CA -0.705 52.291 53.050 -0.091 0.000 0.821 131 N CB 0.271 38.571 38.487 -0.312 0.000 1.748 131 N HN 0.585 nan 8.380 nan 0.000 0.603 132 I N -0.314 120.206 120.570 -0.083 0.000 2.264 132 I HA -0.027 4.144 4.170 0.001 0.000 0.248 132 I C 1.827 177.887 176.117 -0.094 0.000 1.111 132 I CA 2.031 63.290 61.300 -0.068 0.000 1.382 132 I CB -0.711 37.228 38.000 -0.102 0.000 1.060 132 I HN 0.720 nan 8.210 nan 0.000 0.418 133 A N -1.315 121.380 122.820 -0.208 0.000 1.943 133 A HA 0.039 4.360 4.320 0.001 0.000 0.213 133 A C 0.624 177.929 177.584 -0.465 0.000 1.181 133 A CA 0.674 52.512 52.037 -0.332 0.000 0.653 133 A CB -0.356 18.370 19.000 -0.457 0.000 0.833 133 A HN 0.490 nan 8.150 nan 0.000 0.451 134 H N 0.337 119.226 119.070 -0.302 0.000 2.539 134 H HA 0.313 4.870 4.556 0.002 0.000 0.332 134 H C -1.280 173.748 175.328 -0.501 0.000 1.031 134 H CA -0.942 54.731 56.048 -0.625 0.000 1.206 134 H CB 1.146 30.343 29.762 -0.941 0.000 1.446 134 H HN 0.227 nan 8.280 nan 0.000 0.496 135 D N 3.995 124.221 120.400 -0.289 0.000 2.889 135 D HA 0.094 4.735 4.640 0.001 0.000 0.243 135 D C -0.271 175.807 176.300 -0.372 0.000 1.270 135 D CA 0.199 54.003 54.000 -0.326 0.000 0.838 135 D CB 0.015 40.723 40.800 -0.153 0.000 1.040 135 D HN 0.522 nan 8.370 nan 0.000 0.480 136 Y N -3.102 117.091 120.300 -0.177 0.000 2.732 136 Y HA 0.391 4.941 4.550 0.001 0.000 0.342 136 Y C -1.062 175.003 175.900 0.275 0.000 1.203 136 Y CA -1.401 56.721 58.100 0.037 0.000 1.092 136 Y CB 0.266 38.716 38.460 -0.017 0.000 1.345 136 Y HN -0.290 nan 8.280 nan 0.000 0.458 137 I N 3.303 124.116 120.570 0.405 0.000 2.496 137 I HA 0.471 4.642 4.170 0.001 0.000 0.285 137 I C 0.255 176.480 176.117 0.180 0.000 1.080 137 I CA 0.443 61.868 61.300 0.209 0.000 1.404 137 I CB 0.992 39.080 38.000 0.147 0.000 1.403 137 I HN 0.764 nan 8.210 nan 0.000 0.539 138 S N 5.528 121.259 115.700 0.051 0.000 2.651 138 S HA 0.269 4.740 4.470 0.001 0.000 0.279 138 S C 0.201 174.865 174.600 0.107 0.000 1.148 138 S CA -0.891 57.339 58.200 0.050 0.000 0.837 138 S CB 1.241 64.312 63.200 -0.215 0.000 1.138 138 S HN 0.811 nan 8.310 nan 0.000 0.478 139 W N 0.977 122.293 121.300 0.027 0.000 2.436 139 W HA -0.034 4.626 4.660 0.001 0.000 0.284 139 W C 1.575 178.172 176.519 0.130 0.000 1.225 139 W CA 2.035 59.440 57.345 0.099 0.000 1.271 139 W CB -0.087 29.421 29.460 0.079 0.000 1.114 139 W HN 1.026 nan 8.180 nan 0.000 0.559 140 E N 0.315 120.592 120.200 0.128 0.000 2.072 140 E HA -0.202 4.149 4.350 0.001 0.000 0.191 140 E C 2.249 178.827 176.600 -0.036 0.000 0.985 140 E CA 2.001 58.457 56.400 0.094 0.000 0.801 140 E CB -0.665 29.168 29.700 0.223 0.000 0.750 140 E HN -0.017 nan 8.360 nan 0.000 0.452 141 S N -1.330 114.333 115.700 -0.061 0.000 2.402 141 S HA -0.099 4.372 4.470 0.001 0.000 0.229 141 S C 1.652 176.157 174.600 -0.158 0.000 1.021 141 S CA 0.983 59.099 58.200 -0.140 0.000 0.974 141 S CB -0.509 62.636 63.200 -0.091 0.000 0.800 141 S HN 0.466 nan 8.310 nan 0.000 0.484 142 F N 2.401 122.141 119.950 -0.350 0.000 2.187 142 F HA 0.026 4.554 4.527 0.002 0.000 0.295 142 F C 2.455 177.981 175.800 -0.456 0.000 1.091 142 F CA 1.808 59.535 58.000 -0.456 0.000 1.308 142 F CB -0.677 37.918 39.000 -0.676 0.000 1.030 142 F HN 0.343 nan 8.300 nan 0.000 0.487 143 S N -0.577 114.722 115.700 -0.668 0.000 2.421 143 S HA -0.025 4.446 4.470 0.001 0.000 0.224 143 S C 1.022 175.455 174.600 -0.279 0.000 1.035 143 S CA 0.229 58.079 58.200 -0.582 0.000 0.953 143 S CB -0.803 62.193 63.200 -0.339 0.000 0.810 143 S HN 0.366 nan 8.310 nan 0.000 0.497 144 N N 2.859 121.494 118.700 -0.109 0.000 2.448 144 N HA 0.116 4.856 4.740 0.001 0.000 0.250 144 N C 0.865 176.444 175.510 0.114 0.000 1.136 144 N CA 0.097 53.199 53.050 0.086 0.000 0.953 144 N CB 1.278 39.952 38.487 0.312 0.000 1.251 144 N HN 0.335 nan 8.380 nan 0.000 0.502 145 V N 1.077 121.012 119.914 0.036 0.000 3.510 145 V HA 0.045 4.166 4.120 0.001 0.000 0.270 145 V C 1.562 177.783 176.094 0.212 0.000 1.201 145 V CA 0.603 62.949 62.300 0.077 0.000 1.166 145 V CB -0.442 31.407 31.823 0.042 0.000 0.825 145 V HN 0.394 nan 8.190 nan 0.000 0.484 146 S N -0.868 114.905 115.700 0.121 0.000 2.515 146 S HA 0.171 4.642 4.470 0.001 0.000 0.231 146 S C 0.415 175.011 174.600 -0.006 0.000 0.987 146 S CA 0.312 58.530 58.200 0.029 0.000 0.936 146 S CB -0.419 62.770 63.200 -0.019 0.000 0.766 146 S HN 0.709 nan 8.310 nan 0.000 0.528 147 Y N 0.515 120.828 120.300 0.022 0.000 2.299 147 Y HA 0.322 4.873 4.550 0.002 0.000 0.326 147 Y C 0.276 176.123 175.900 -0.089 0.000 1.164 147 Y CA -0.967 57.045 58.100 -0.146 0.000 1.234 147 Y CB 0.308 38.678 38.460 -0.150 0.000 1.219 147 Y HN 0.052 nan 8.280 nan 0.000 0.497 148 Y N 0.740 121.109 120.300 0.115 0.000 2.379 148 Y HA 0.153 4.704 4.550 0.001 0.000 0.337 148 Y C 0.947 176.894 175.900 0.079 0.000 1.238 148 Y CA -0.208 57.968 58.100 0.127 0.000 1.405 148 Y CB 0.689 39.183 38.460 0.057 0.000 1.310 148 Y HN 0.542 nan 8.280 nan 0.000 0.569 149 T N 2.554 117.257 114.554 0.248 0.000 2.884 149 T HA 0.714 5.065 4.350 0.001 0.000 0.277 149 T C -0.777 173.996 174.700 0.122 0.000 0.976 149 T CA -0.855 61.315 62.100 0.117 0.000 0.956 149 T CB 0.543 69.440 68.868 0.048 0.000 1.113 149 T HN 0.754 nan 8.240 nan 0.000 0.554 150 R N 1.329 121.897 120.500 0.114 0.000 2.698 150 R HA 0.456 4.797 4.340 0.001 0.000 0.275 150 R C 0.071 176.477 176.300 0.177 0.000 1.001 150 R CA -0.922 55.274 56.100 0.160 0.000 0.896 150 R CB 0.717 31.115 30.300 0.164 0.000 1.218 150 R HN 0.391 nan 8.270 nan 0.000 0.462 151 I N 1.161 121.886 120.570 0.257 0.000 2.494 151 I HA 0.131 4.302 4.170 0.001 0.000 0.250 151 I C 0.971 177.179 176.117 0.151 0.000 1.112 151 I CA 0.549 61.962 61.300 0.188 0.000 1.438 151 I CB -0.604 37.569 38.000 0.287 0.000 1.111 151 I HN 0.514 nan 8.210 nan 0.000 0.431 152 L N 2.567 123.898 121.223 0.182 0.000 2.325 152 L HA 0.375 4.716 4.340 0.001 0.000 0.278 152 L C -2.206 174.749 176.870 0.142 0.000 1.023 152 L CA -1.744 53.129 54.840 0.054 0.000 0.811 152 L CB 1.810 43.665 42.059 -0.340 0.000 1.249 152 L HN -0.109 nan 8.230 nan 0.000 0.431 153 P HA 0.058 nan 4.420 nan 0.000 0.272 153 P C -0.586 176.713 177.300 -0.002 0.000 1.240 153 P CA -0.438 62.633 63.100 -0.049 0.000 0.791 153 P CB 0.705 32.245 31.700 -0.267 0.000 0.978 154 S N -0.097 115.604 115.700 0.002 0.000 2.576 154 S HA 0.117 4.588 4.470 0.001 0.000 0.272 154 S C 0.370 175.006 174.600 0.060 0.000 1.352 154 S CA -0.736 57.486 58.200 0.037 0.000 1.021 154 S CB -0.269 62.948 63.200 0.027 0.000 0.887 154 S HN 0.257 nan 8.310 nan 0.000 0.542 155 V N 3.857 123.827 119.914 0.094 0.000 2.446 155 V HA 0.200 4.321 4.120 0.001 0.000 0.276 155 V C -1.968 174.158 176.094 0.053 0.000 1.030 155 V CA -1.355 61.017 62.300 0.120 0.000 1.033 155 V CB -0.426 31.483 31.823 0.144 0.000 0.993 155 V HN 0.763 nan 8.190 nan 0.000 0.477 156 P HA 0.041 nan 4.420 nan 0.000 0.263 156 P C 0.738 178.034 177.300 -0.006 0.000 1.175 156 P CA 0.285 63.382 63.100 -0.005 0.000 0.761 156 P CB 0.411 32.087 31.700 -0.041 0.000 0.794 157 R N 2.008 122.511 120.500 0.005 0.000 2.148 157 R HA -0.093 4.247 4.340 0.001 0.000 0.227 157 R C 0.550 176.849 176.300 -0.003 0.000 1.103 157 R CA 1.285 57.391 56.100 0.008 0.000 0.983 157 R CB -0.433 29.877 30.300 0.018 0.000 0.874 157 R HN 0.604 nan 8.270 nan 0.000 0.451 158 D N -0.043 120.350 120.400 -0.013 0.000 3.057 158 D HA 0.104 4.745 4.640 0.001 0.000 0.246 158 D C -0.513 175.763 176.300 -0.039 0.000 1.238 158 D CA -0.294 53.695 54.000 -0.018 0.000 0.949 158 D CB -0.281 40.511 40.800 -0.012 0.000 1.086 158 D HN -0.009 nan 8.370 nan 0.000 0.487 159 c N 0.101 118.672 118.600 -0.047 0.000 2.898 159 c HA 0.393 4.964 4.570 0.001 0.000 0.304 159 c C -1.224 172.825 174.090 -0.067 0.000 1.237 159 c CA -1.113 55.166 56.329 -0.083 0.000 1.529 159 c CB 2.102 44.536 42.510 -0.127 0.000 2.021 159 c HN 0.181 nan 8.230 nan 0.000 0.474 160 P HA -0.057 nan 4.420 nan 0.000 0.215 160 P C 0.443 177.724 177.300 -0.033 0.000 1.157 160 P CA 1.552 64.619 63.100 -0.056 0.000 0.868 160 P CB -0.012 31.642 31.700 -0.076 0.000 0.788 161 T N -5.695 108.835 114.554 -0.039 0.000 2.912 161 T HA 0.383 4.734 4.350 0.001 0.000 0.288 161 T C -2.199 172.510 174.700 0.015 0.000 1.030 161 T CA -2.266 59.834 62.100 0.001 0.000 1.020 161 T CB 2.014 70.894 68.868 0.020 0.000 1.056 161 T HN -0.143 nan 8.240 nan 0.000 0.480 162 P HA 0.004 nan 4.420 nan 0.000 0.225 162 P C 0.987 178.341 177.300 0.090 0.000 1.148 162 P CA 0.819 63.955 63.100 0.060 0.000 0.779 162 P CB 0.086 31.827 31.700 0.069 0.000 0.780 163 M N -1.855 117.811 119.600 0.109 0.000 2.333 163 M HA 0.293 4.774 4.480 0.001 0.000 0.257 163 M C 1.205 177.607 176.300 0.171 0.000 1.078 163 M CA 0.379 55.774 55.300 0.158 0.000 1.005 163 M CB 0.537 33.248 32.600 0.185 0.000 1.444 163 M HN 0.076 nan 8.290 nan 0.000 0.496 164 G N 0.832 109.664 108.800 0.053 0.000 1.781 164 G HA2 -0.206 3.755 3.960 0.001 0.000 0.082 164 G HA3 -0.206 3.755 3.960 0.001 0.000 0.082 164 G C 0.463 175.241 174.900 -0.203 0.000 0.919 164 G CA 0.433 45.469 45.100 -0.106 0.000 1.202 164 G HN 0.227 nan 8.290 nan 0.000 0.393 165 T N -1.164 113.253 114.554 -0.229 0.000 2.955 165 T HA 0.432 4.783 4.350 0.001 0.000 0.251 165 T C 0.728 175.385 174.700 -0.072 0.000 1.002 165 T CA 0.881 62.836 62.100 -0.241 0.000 0.970 165 T CB 0.367 68.948 68.868 -0.480 0.000 1.091 165 T HN 0.474 nan 8.240 nan 0.000 0.495 166 K N 1.401 121.798 120.400 -0.004 0.000 2.118 166 K HA 0.628 4.948 4.320 0.001 0.000 0.254 166 K C 0.470 177.124 176.600 0.090 0.000 0.961 166 K CA -0.162 56.159 56.287 0.057 0.000 0.876 166 K CB 1.483 34.032 32.500 0.082 0.000 1.077 166 K HN 0.486 nan 8.250 nan 0.000 0.440 167 G N -0.539 108.327 108.800 0.109 0.000 2.549 167 G HA2 -0.012 3.949 3.960 0.001 0.000 0.404 167 G HA3 -0.012 3.949 3.960 0.001 0.000 0.404 167 G C -0.790 174.170 174.900 0.100 0.000 1.292 167 G CA -0.365 44.820 45.100 0.142 0.000 0.935 167 G HN 0.721 nan 8.290 nan 0.000 0.512 168 K N -0.583 119.876 120.400 0.099 0.000 2.090 168 K HA 0.916 5.237 4.320 0.001 0.000 0.250 168 K C 1.808 178.436 176.600 0.047 0.000 1.004 168 K CA 1.231 57.553 56.287 0.059 0.000 0.919 168 K CB -0.000 32.524 32.500 0.040 0.000 1.045 168 K HN 2.159 nan 8.250 nan 0.000 0.471 169 K N 0.004 120.422 120.400 0.031 0.000 2.063 169 K HA 0.118 4.439 4.320 0.001 0.000 0.208 169 K C 1.574 178.188 176.600 0.023 0.000 1.048 169 K CA 2.537 58.838 56.287 0.024 0.000 0.928 169 K CB -1.048 31.462 32.500 0.017 0.000 0.713 169 K HN 1.357 nan 8.250 nan 0.000 0.442 170 Q N -0.280 119.531 119.800 0.017 0.000 2.345 170 Q HA 0.741 5.082 4.340 0.001 0.000 0.268 170 Q C -0.101 175.900 176.000 0.002 0.000 1.054 170 Q CA -0.753 55.057 55.803 0.012 0.000 0.835 170 Q CB 1.103 29.843 28.738 0.003 0.000 1.339 170 Q HN 0.480 nan 8.270 nan 0.000 0.447 171 L N 1.833 123.059 121.223 0.004 0.000 2.456 171 L HA 0.474 4.815 4.340 0.001 0.000 0.257 171 L C -1.769 175.050 176.870 -0.085 0.000 1.162 171 L CA -1.729 53.095 54.840 -0.026 0.000 0.808 171 L CB 1.207 43.285 42.059 0.032 0.000 1.136 171 L HN 0.626 nan 8.230 nan 0.000 0.466 172 P HA 0.008 nan 4.420 nan 0.000 0.271 172 P C -0.901 176.352 177.300 -0.078 0.000 1.218 172 P CA -0.390 62.604 63.100 -0.177 0.000 0.780 172 P CB 0.323 31.825 31.700 -0.329 0.000 0.901 173 D N 1.358 121.731 120.400 -0.046 0.000 2.487 173 D HA -0.015 4.626 4.640 0.001 0.000 0.243 173 D C 1.109 177.412 176.300 0.006 0.000 1.154 173 D CA 0.235 54.227 54.000 -0.014 0.000 0.876 173 D CB 1.033 41.825 40.800 -0.013 0.000 1.161 173 D HN 0.340 nan 8.370 nan 0.000 0.478 174 A N 3.982 126.814 122.820 0.021 0.000 1.933 174 A HA -0.144 4.177 4.320 0.001 0.000 0.218 174 A C 2.121 179.733 177.584 0.046 0.000 1.175 174 A CA 2.186 54.248 52.037 0.043 0.000 0.628 174 A CB -0.812 18.213 19.000 0.042 0.000 0.814 174 A HN 0.733 nan 8.150 nan 0.000 0.444 175 E N -1.472 118.746 120.200 0.031 0.000 2.077 175 E HA -0.057 4.294 4.350 0.001 0.000 0.193 175 E C 2.245 178.855 176.600 0.017 0.000 0.989 175 E CA 1.943 58.359 56.400 0.027 0.000 0.800 175 E CB -1.583 28.127 29.700 0.017 0.000 0.746 175 E HN 1.201 nan 8.360 nan 0.000 0.452 176 F N 0.866 120.820 119.950 0.007 0.000 2.146 176 F HA 0.207 4.735 4.527 0.001 0.000 0.298 176 F C 2.756 178.562 175.800 0.009 0.000 1.096 176 F CA 1.541 59.532 58.000 -0.016 0.000 1.275 176 F CB -0.856 38.130 39.000 -0.024 0.000 1.008 176 F HN 0.265 nan 8.300 nan 0.000 0.480 177 L N -0.086 121.192 121.223 0.093 0.000 2.079 177 L HA -0.217 4.123 4.340 0.001 0.000 0.210 177 L C 2.795 179.797 176.870 0.220 0.000 1.081 177 L CA 1.617 56.606 54.840 0.250 0.000 0.752 177 L CB -0.827 41.353 42.059 0.202 0.000 0.896 177 L HN 0.439 nan 8.230 nan 0.000 0.433 178 S N -0.472 115.297 115.700 0.114 0.000 2.357 178 S HA -0.168 4.303 4.470 0.001 0.000 0.221 178 S C 2.526 177.147 174.600 0.034 0.000 1.031 178 S CA 1.462 59.714 58.200 0.087 0.000 0.982 178 S CB -0.442 62.800 63.200 0.070 0.000 0.853 178 S HN 0.531 nan 8.310 nan 0.000 0.458 179 R N 1.270 121.764 120.500 -0.011 0.000 2.073 179 R HA 0.024 4.364 4.340 0.001 0.000 0.234 179 R C 2.403 178.620 176.300 -0.139 0.000 1.134 179 R CA 2.017 58.082 56.100 -0.058 0.000 0.952 179 R CB -1.758 28.504 30.300 -0.063 0.000 0.850 179 R HN 0.553 nan 8.270 nan 0.000 0.433 180 R N -0.821 119.518 120.500 -0.268 0.000 2.200 180 R HA 0.315 4.656 4.340 0.001 0.000 0.208 180 R C 1.966 177.838 176.300 -0.713 0.000 1.033 180 R CA 1.469 57.221 56.100 -0.579 0.000 1.000 180 R CB -0.594 29.165 30.300 -0.902 0.000 0.906 180 R HN 0.683 nan 8.270 nan 0.000 0.462 181 F N -1.969 117.966 119.950 -0.025 0.000 2.784 181 F HA 0.338 4.866 4.527 0.002 0.000 0.316 181 F C 1.696 177.474 175.800 -0.036 0.000 1.026 181 F CA -0.116 57.864 58.000 -0.033 0.000 1.188 181 F CB 0.817 39.797 39.000 -0.033 0.000 0.999 181 F HN -0.063 nan 8.300 nan 0.000 0.605 182 L N -0.178 121.121 121.223 0.128 0.000 2.642 182 L HA 0.244 4.584 4.340 0.001 0.000 0.233 182 L C 0.077 176.976 176.870 0.049 0.000 1.077 182 L CA -0.143 54.742 54.840 0.075 0.000 0.879 182 L CB 0.441 42.547 42.059 0.079 0.000 1.151 182 L HN 0.008 nan 8.230 nan 0.000 0.495 183 L N 1.720 122.961 121.223 0.030 0.000 2.462 183 L HA 0.103 4.444 4.340 0.001 0.000 0.272 183 L C 0.766 177.651 176.870 0.025 0.000 1.166 183 L CA 0.302 55.158 54.840 0.026 0.000 0.880 183 L CB 0.283 42.345 42.059 0.006 0.000 1.142 183 L HN 0.096 nan 8.230 nan 0.000 0.473 184 R N 4.532 125.057 120.500 0.043 0.000 2.442 184 R HA 0.162 4.503 4.340 0.001 0.000 0.291 184 R C 0.445 176.773 176.300 0.046 0.000 1.069 184 R CA 0.158 56.287 56.100 0.049 0.000 1.022 184 R CB 0.546 30.894 30.300 0.079 0.000 0.976 184 R HN 0.867 nan 8.270 nan 0.000 0.443 185 R N 3.054 123.573 120.500 0.032 0.000 1.950 185 R HA 0.166 4.507 4.340 0.001 0.000 0.200 185 R C 0.230 176.561 176.300 0.051 0.000 1.476 185 R CA 0.884 57.001 56.100 0.028 0.000 1.145 185 R CB -0.441 29.863 30.300 0.005 0.000 0.942 185 R HN 0.520 nan 8.270 nan 0.000 0.484 186 K N 1.521 121.947 120.400 0.044 0.000 2.098 186 K HA 0.201 4.522 4.320 0.001 0.000 0.257 186 K C -0.737 175.925 176.600 0.105 0.000 0.999 186 K CA -0.485 55.845 56.287 0.071 0.000 0.924 186 K CB -0.018 32.507 32.500 0.041 0.000 1.028 186 K HN 0.265 nan 8.250 nan 0.000 0.466 187 F N 2.020 121.962 119.950 -0.012 0.000 2.471 187 F HA 0.436 4.964 4.527 0.002 0.000 0.365 187 F C -0.130 175.653 175.800 -0.027 0.000 1.095 187 F CA -0.734 57.255 58.000 -0.020 0.000 1.174 187 F CB 0.196 39.181 39.000 -0.025 0.000 1.105 187 F HN 0.397 nan 8.300 nan 0.000 0.535 188 I N 9.581 129.774 120.570 -0.627 0.000 2.287 188 I HA 0.255 4.426 4.170 0.001 0.000 0.290 188 I C -1.997 173.541 176.117 -0.964 0.000 1.069 188 I CA -2.080 58.865 61.300 -0.593 0.000 1.237 188 I CB 0.474 38.286 38.000 -0.315 0.000 1.418 188 I HN 0.445 nan 8.210 nan 0.000 0.481 189 P HA 0.045 nan 4.420 nan 0.000 0.274 189 P C -0.787 176.302 177.300 -0.352 0.000 1.256 189 P CA -0.317 62.390 63.100 -0.654 0.000 0.795 189 P CB 0.788 32.358 31.700 -0.216 0.000 1.038 190 D N 1.019 121.280 120.400 -0.231 0.000 2.343 190 D HA 0.094 4.735 4.640 0.001 0.000 0.255 190 D C -1.198 174.997 176.300 -0.175 0.000 1.187 190 D CA -2.010 51.858 54.000 -0.219 0.000 0.875 190 D CB 0.370 41.032 40.800 -0.229 0.000 1.136 190 D HN 0.147 nan 8.370 nan 0.000 0.469 191 P HA -0.133 nan 4.420 nan 0.000 0.223 191 P C 0.791 178.009 177.300 -0.138 0.000 1.151 191 P CA 0.894 63.913 63.100 -0.135 0.000 0.787 191 P CB 0.303 31.930 31.700 -0.122 0.000 0.788 192 Q N -0.965 118.724 119.800 -0.186 0.000 2.472 192 Q HA 0.138 4.479 4.340 0.001 0.000 0.208 192 Q C 1.211 177.110 176.000 -0.168 0.000 0.958 192 Q CA 0.708 56.391 55.803 -0.200 0.000 0.932 192 Q CB -0.280 28.285 28.738 -0.288 0.000 1.007 192 Q HN 0.310 nan 8.270 nan 0.000 0.508 193 G N 0.850 109.574 108.800 -0.127 0.000 2.157 193 G HA2 -0.236 3.725 3.960 0.001 0.000 0.239 193 G HA3 -0.236 3.725 3.960 0.001 0.000 0.239 193 G C 0.216 175.106 174.900 -0.016 0.000 0.982 193 G CA 0.190 45.263 45.100 -0.045 0.000 0.650 193 G HN 0.300 nan 8.290 nan 0.000 0.527 194 T N 1.781 116.257 114.554 -0.130 0.000 2.946 194 T HA 0.399 4.750 4.350 0.001 0.000 0.311 194 T C 0.796 175.492 174.700 -0.007 0.000 1.063 194 T CA 0.931 62.929 62.100 -0.169 0.000 1.139 194 T CB 0.812 69.413 68.868 -0.444 0.000 0.994 194 T HN 0.893 nan 8.240 nan 0.000 0.547 195 N N 1.906 120.673 118.700 0.111 0.000 2.906 195 N HA 0.345 5.086 4.740 0.001 0.000 0.327 195 N C 0.632 176.261 175.510 0.198 0.000 1.344 195 N CA -1.166 51.989 53.050 0.173 0.000 0.823 195 N CB 0.348 38.972 38.487 0.228 0.000 1.351 195 N HN 0.385 nan 8.380 nan 0.000 0.604 196 L N -1.113 120.211 121.223 0.167 0.000 2.418 196 L HA 0.107 4.448 4.340 0.001 0.000 0.218 196 L C 1.904 178.865 176.870 0.152 0.000 1.125 196 L CA 0.570 55.409 54.840 -0.001 0.000 0.835 196 L CB -0.341 41.689 42.059 -0.048 0.000 0.953 196 L HN 0.545 nan 8.230 nan 0.000 0.454 197 M N -0.278 119.572 119.600 0.418 0.000 2.229 197 M HA -0.206 4.275 4.480 0.001 0.000 0.264 197 M C 1.933 178.668 176.300 0.725 0.000 1.063 197 M CA 1.811 57.461 55.300 0.583 0.000 1.114 197 M CB -0.397 32.473 32.600 0.450 0.000 1.387 197 M HN 0.178 nan 8.290 nan 0.000 0.420 198 F N 0.085 120.331 119.950 0.493 0.000 2.098 198 F HA 0.018 4.546 4.527 0.001 0.000 0.294 198 F C 2.092 178.056 175.800 0.273 0.000 1.107 198 F CA 1.534 59.766 58.000 0.388 0.000 1.234 198 F CB -0.641 38.434 39.000 0.125 0.000 1.002 198 F HN 0.149 nan 8.300 nan 0.000 0.472 199 A N 0.269 123.310 122.820 0.369 0.000 1.908 199 A HA -0.209 4.111 4.320 0.001 0.000 0.218 199 A C 1.978 179.557 177.584 -0.008 0.000 1.181 199 A CA 1.952 54.069 52.037 0.134 0.000 0.627 199 A CB -1.484 17.452 19.000 -0.106 0.000 0.818 199 A HN 0.460 nan 8.150 nan 0.000 0.445 200 F N -1.841 118.184 119.950 0.125 0.000 2.325 200 F HA 0.055 4.583 4.527 0.001 0.000 0.299 200 F C 1.906 177.599 175.800 -0.177 0.000 1.090 200 F CA 0.276 58.284 58.000 0.013 0.000 1.392 200 F CB -0.867 38.170 39.000 0.061 0.000 1.053 200 F HN 0.346 nan 8.300 nan 0.000 0.521 201 F N 0.611 120.468 119.950 -0.154 0.000 2.113 201 F HA -0.097 4.431 4.527 0.001 0.000 0.297 201 F C 2.417 178.085 175.800 -0.220 0.000 1.103 201 F CA 1.349 59.060 58.000 -0.482 0.000 1.248 201 F CB -0.446 38.527 39.000 -0.046 0.000 0.999 201 F HN -0.077 nan 8.300 nan 0.000 0.475 202 A N -0.035 122.881 122.820 0.160 0.000 1.873 202 A HA -0.326 3.995 4.320 0.001 0.000 0.218 202 A C 2.198 179.762 177.584 -0.034 0.000 1.193 202 A CA 2.130 54.263 52.037 0.159 0.000 0.629 202 A CB -1.233 17.885 19.000 0.195 0.000 0.826 202 A HN 0.604 nan 8.150 nan 0.000 0.447 203 Q N -1.575 118.187 119.800 -0.063 0.000 2.050 203 Q HA -0.262 4.079 4.340 0.001 0.000 0.202 203 Q C 2.002 177.795 176.000 -0.344 0.000 0.980 203 Q CA 2.062 57.743 55.803 -0.202 0.000 0.840 203 Q CB -0.261 28.384 28.738 -0.155 0.000 0.898 203 Q HN 0.890 nan 8.270 nan 0.000 0.424 204 H N -0.403 118.409 119.070 -0.431 0.000 2.340 204 H HA -0.226 4.331 4.556 0.001 0.000 0.294 204 H C 1.703 176.873 175.328 -0.263 0.000 1.056 204 H CA 2.488 58.249 56.048 -0.477 0.000 1.185 204 H CB -0.804 28.592 29.762 -0.609 0.000 1.379 204 H HN 0.328 nan 8.280 nan 0.000 0.540 205 F N 1.287 120.971 119.950 -0.443 0.000 2.048 205 F HA -0.368 4.160 4.527 0.001 0.000 0.296 205 F C 2.757 178.051 175.800 -0.843 0.000 1.109 205 F CA 3.081 60.729 58.000 -0.588 0.000 1.214 205 F CB -1.251 37.444 39.000 -0.510 0.000 0.963 205 F HN 0.473 nan 8.300 nan 0.000 0.491 206 T N -2.990 111.009 114.554 -0.926 0.000 2.929 206 T HA -0.230 4.121 4.350 0.001 0.000 0.271 206 T C 1.420 175.278 174.700 -1.403 0.000 1.085 206 T CA 1.787 62.978 62.100 -1.514 0.000 1.125 206 T CB -0.905 67.384 68.868 -0.966 0.000 0.874 206 T HN 0.482 nan 8.240 nan 0.000 0.494 207 H N 1.498 120.039 119.070 -0.882 0.000 2.543 207 H HA 0.197 4.754 4.556 0.001 0.000 0.269 207 H C 2.285 177.240 175.328 -0.623 0.000 1.005 207 H CA 0.576 56.309 56.048 -0.525 0.000 1.146 207 H CB -0.148 29.554 29.762 -0.100 0.000 1.353 207 H HN 0.748 nan 8.280 nan 0.000 0.595 208 Q N -0.130 119.108 119.800 -0.935 0.000 2.402 208 Q HA -0.020 4.321 4.340 0.001 0.000 0.206 208 Q C 0.505 176.152 176.000 -0.589 0.000 0.919 208 Q CA 0.746 56.081 55.803 -0.782 0.000 0.923 208 Q CB 0.004 28.100 28.738 -1.071 0.000 1.048 208 Q HN 0.584 nan 8.270 nan 0.000 0.515 209 F N -3.016 116.540 119.950 -0.656 0.000 2.798 209 F HA 0.517 5.045 4.527 0.002 0.000 0.328 209 F C -0.538 174.915 175.800 -0.579 0.000 1.098 209 F CA -1.194 56.437 58.000 -0.614 0.000 1.172 209 F CB 0.693 39.311 39.000 -0.636 0.000 1.072 209 F HN -0.228 nan 8.300 nan 0.000 0.555 210 F N 3.075 122.817 119.950 -0.346 0.000 2.359 210 F HA 0.519 5.047 4.527 0.001 0.000 0.369 210 F C -0.182 175.453 175.800 -0.275 0.000 1.084 210 F CA -1.592 56.257 58.000 -0.252 0.000 1.096 210 F CB 1.359 40.052 39.000 -0.512 0.000 1.335 210 F HN -0.058 nan 8.300 nan 0.000 0.457 211 K N 2.019 122.456 120.400 0.061 0.000 2.920 211 K HA 0.234 4.555 4.320 0.001 0.000 0.175 211 K C -0.488 176.133 176.600 0.035 0.000 1.099 211 K CA -0.336 55.940 56.287 -0.019 0.000 0.939 211 K CB 1.177 33.620 32.500 -0.096 0.000 1.148 211 K HN 0.371 nan 8.250 nan 0.000 0.613 212 T N 1.502 116.139 114.554 0.138 0.000 2.928 212 T HA -0.018 4.333 4.350 0.001 0.000 0.305 212 T C 0.620 175.359 174.700 0.066 0.000 1.035 212 T CA 0.153 62.356 62.100 0.171 0.000 1.145 212 T CB 0.739 69.744 68.868 0.228 0.000 0.963 212 T HN 0.437 nan 8.240 nan 0.000 0.545 213 S N 2.338 118.066 115.700 0.046 0.000 2.537 213 S HA 0.450 4.921 4.470 0.001 0.000 0.275 213 S C 1.547 176.157 174.600 0.017 0.000 1.272 213 S CA -0.448 57.757 58.200 0.007 0.000 1.050 213 S CB 1.363 64.541 63.200 -0.037 0.000 0.961 213 S HN 0.786 nan 8.310 nan 0.000 0.496 214 G N 2.852 111.653 108.800 0.002 0.000 2.394 214 G HA2 -0.000 3.961 3.960 0.001 0.000 0.215 214 G HA3 -0.000 3.961 3.960 0.001 0.000 0.215 214 G C 1.540 176.429 174.900 -0.019 0.000 1.165 214 G CA 0.758 45.858 45.100 -0.000 0.000 0.784 214 G HN 0.968 nan 8.290 nan 0.000 0.535 215 K N 0.780 121.155 120.400 -0.042 0.000 2.001 215 K HA 0.187 4.508 4.320 0.001 0.000 0.208 215 K C 2.422 178.952 176.600 -0.117 0.000 1.048 215 K CA 1.598 57.844 56.287 -0.069 0.000 0.932 215 K CB -0.708 31.747 32.500 -0.075 0.000 0.715 215 K HN 0.389 nan 8.250 nan 0.000 0.437 216 M N -0.906 118.586 119.600 -0.179 0.000 2.288 216 M HA 0.197 4.678 4.480 0.001 0.000 0.266 216 M C 1.411 177.576 176.300 -0.226 0.000 1.072 216 M CA 0.965 56.046 55.300 -0.366 0.000 1.132 216 M CB 0.018 32.233 32.600 -0.640 0.000 1.386 216 M HN 0.649 nan 8.290 nan 0.000 0.432 217 G N 0.507 109.302 108.800 -0.010 0.000 2.396 217 G HA2 -0.083 3.877 3.960 0.001 0.000 0.254 217 G HA3 -0.083 3.877 3.960 0.001 0.000 0.254 217 G C -3.082 171.966 174.900 0.247 0.000 1.248 217 G CA -1.156 44.015 45.100 0.119 0.000 1.033 217 G HN 0.105 nan 8.290 nan 0.000 0.502 218 P HA 0.432 nan 4.420 nan 0.000 0.275 218 P C 0.978 178.376 177.300 0.163 0.000 1.228 218 P CA 1.668 64.873 63.100 0.174 0.000 0.786 218 P CB 0.987 32.747 31.700 0.100 0.000 0.927 219 G N 0.742 109.638 108.800 0.161 0.000 2.179 219 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 219 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 219 G C -0.281 174.478 174.900 -0.235 0.000 0.977 219 G CA -0.243 44.892 45.100 0.058 0.000 0.641 219 G HN 0.440 nan 8.290 nan 0.000 0.533 220 F N -0.080 119.870 119.950 -0.000 0.000 2.538 220 F HA 0.791 5.319 4.527 0.002 0.000 0.325 220 F C 0.542 176.084 175.800 -0.429 0.000 1.066 220 F CA -0.157 57.684 58.000 -0.264 0.000 0.946 220 F CB 2.483 41.329 39.000 -0.255 0.000 1.199 220 F HN 0.055 nan 8.300 nan 0.000 0.473 221 T N 0.185 114.532 114.554 -0.346 0.000 2.896 221 T HA 0.369 4.720 4.350 0.001 0.000 0.297 221 T C 0.142 174.697 174.700 -0.241 0.000 1.108 221 T CA -0.574 61.249 62.100 -0.462 0.000 1.004 221 T CB 1.749 70.060 68.868 -0.928 0.000 1.159 221 T HN 0.711 nan 8.240 nan 0.000 0.499 222 K N 1.149 121.434 120.400 -0.192 0.000 2.348 222 K HA 0.434 4.755 4.320 0.001 0.000 0.194 222 K C 0.662 177.165 176.600 -0.162 0.000 1.052 222 K CA 0.051 56.252 56.287 -0.143 0.000 1.004 222 K CB 0.553 32.993 32.500 -0.101 0.000 0.873 222 K HN 0.563 nan 8.250 nan 0.000 0.523 223 A N 1.900 124.592 122.820 -0.212 0.000 2.666 223 A HA 0.210 4.531 4.320 0.001 0.000 0.312 223 A C 0.724 178.124 177.584 -0.307 0.000 1.471 223 A CA -0.156 51.748 52.037 -0.221 0.000 1.134 223 A CB -0.432 18.434 19.000 -0.224 0.000 1.129 223 A HN 0.220 nan 8.150 nan 0.000 0.539 224 L N 2.319 123.432 121.223 -0.183 0.000 2.418 224 L HA 0.039 4.380 4.340 0.001 0.000 0.218 224 L C 2.455 179.339 176.870 0.023 0.000 1.125 224 L CA 0.843 55.624 54.840 -0.099 0.000 0.835 224 L CB -0.207 41.838 42.059 -0.024 0.000 0.953 224 L HN 0.740 nan 8.230 nan 0.000 0.454 225 G N -1.703 107.084 108.800 -0.022 0.000 2.470 225 G HA2 -0.218 3.743 3.960 0.001 0.000 0.220 225 G HA3 -0.218 3.743 3.960 0.001 0.000 0.220 225 G C 0.703 175.659 174.900 0.095 0.000 1.121 225 G CA 0.197 45.321 45.100 0.039 0.000 0.766 225 G HN 0.579 nan 8.290 nan 0.000 0.553 226 H N -0.674 118.380 119.070 -0.026 0.000 2.861 226 H HA -0.175 4.382 4.556 0.002 0.000 0.289 226 H C 1.200 176.469 175.328 -0.099 0.000 1.176 226 H CA 1.167 57.194 56.048 -0.036 0.000 1.146 226 H CB -1.337 28.402 29.762 -0.038 0.000 1.330 226 H HN 0.806 nan 8.280 nan 0.000 0.379 227 G N -1.574 107.211 108.800 -0.025 0.000 2.441 227 G HA2 0.242 4.203 3.960 0.001 0.000 0.225 227 G HA3 0.242 4.203 3.960 0.001 0.000 0.225 227 G C -0.737 174.174 174.900 0.017 0.000 1.200 227 G CA -0.222 44.802 45.100 -0.126 0.000 0.947 227 G HN 0.149 nan 8.290 nan 0.000 0.484 228 V N 2.595 122.531 119.914 0.037 0.000 2.149 228 V HA 0.227 4.348 4.120 0.001 0.000 0.245 228 V C 0.706 176.860 176.094 0.099 0.000 1.349 228 V CA 0.941 63.291 62.300 0.083 0.000 1.289 228 V CB -0.063 31.870 31.823 0.183 0.000 1.401 228 V HN 0.742 nan 8.190 nan 0.000 0.501 229 D N 2.412 122.850 120.400 0.063 0.000 2.366 229 D HA 0.026 4.666 4.640 0.001 0.000 0.205 229 D C 0.969 177.368 176.300 0.164 0.000 1.022 229 D CA -0.331 53.731 54.000 0.104 0.000 0.868 229 D CB 0.155 40.999 40.800 0.075 0.000 0.953 229 D HN 0.240 nan 8.370 nan 0.000 0.514 230 L N 0.057 121.352 121.223 0.119 0.000 4.089 230 L HA -0.122 4.219 4.340 0.001 0.000 0.408 230 L C 1.601 178.648 176.870 0.296 0.000 1.184 230 L CA 0.636 55.622 54.840 0.244 0.000 0.947 230 L CB -1.903 40.310 42.059 0.256 0.000 2.066 230 L HN 0.325 nan 8.230 nan 0.000 0.851 231 G N -0.804 108.095 108.800 0.165 0.000 2.708 231 G HA2 -0.181 3.780 3.960 0.001 0.000 0.210 231 G HA3 -0.181 3.780 3.960 0.001 0.000 0.210 231 G C 1.158 176.069 174.900 0.019 0.000 1.141 231 G CA 0.683 45.843 45.100 0.099 0.000 0.788 231 G HN 0.808 nan 8.290 nan 0.000 0.531 232 H N -0.736 118.177 119.070 -0.262 0.000 2.548 232 H HA 0.268 4.825 4.556 0.001 0.000 0.265 232 H C 1.809 176.958 175.328 -0.299 0.000 0.969 232 H CA -0.135 55.673 56.048 -0.400 0.000 1.155 232 H CB -0.206 29.278 29.762 -0.464 0.000 1.394 232 H HN 0.431 nan 8.280 nan 0.000 0.570 233 I N -0.899 119.452 120.570 -0.365 0.000 3.194 233 I HA -0.035 4.136 4.170 0.001 0.000 0.271 233 I C 1.289 177.158 176.117 -0.413 0.000 1.150 233 I CA 0.171 61.166 61.300 -0.509 0.000 1.440 233 I CB 0.133 37.658 38.000 -0.792 0.000 1.276 233 I HN -0.033 nan 8.210 nan 0.000 0.457 234 Y N 1.175 121.476 120.300 0.002 0.000 2.509 234 Y HA 0.466 5.017 4.550 0.001 0.000 0.270 234 Y C 1.160 177.080 175.900 0.033 0.000 1.103 234 Y CA 0.239 58.376 58.100 0.061 0.000 1.278 234 Y CB -0.006 38.550 38.460 0.161 0.000 1.087 234 Y HN 0.127 nan 8.280 nan 0.000 0.542 235 G N 0.780 109.645 108.800 0.108 0.000 2.576 235 G HA2 -0.128 3.833 3.960 0.001 0.000 0.686 235 G HA3 -0.128 3.833 3.960 0.001 0.000 0.686 235 G C -0.628 174.291 174.900 0.033 0.000 1.242 235 G CA -0.372 44.749 45.100 0.034 0.000 0.819 235 G HN 0.268 nan 8.290 nan 0.000 0.655 236 D N -0.930 119.456 120.400 -0.024 0.000 2.340 236 D HA 0.201 4.842 4.640 0.001 0.000 0.220 236 D C 0.660 176.943 176.300 -0.027 0.000 1.039 236 D CA 0.648 54.627 54.000 -0.035 0.000 0.866 236 D CB -0.122 40.632 40.800 -0.077 0.000 0.913 236 D HN 0.906 nan 8.370 nan 0.000 0.523 237 N N -1.698 116.991 118.700 -0.018 0.000 2.610 237 N HA 0.191 4.932 4.740 0.001 0.000 0.264 237 N C 0.046 175.534 175.510 -0.038 0.000 1.348 237 N CA -0.992 52.038 53.050 -0.033 0.000 0.819 237 N CB 1.195 39.653 38.487 -0.049 0.000 1.521 237 N HN -0.175 nan 8.380 nan 0.000 0.497 238 L N 0.249 121.417 121.223 -0.093 0.000 2.017 238 L HA -0.072 4.269 4.340 0.001 0.000 0.208 238 L C 1.876 178.600 176.870 -0.245 0.000 1.073 238 L CA 1.807 56.526 54.840 -0.203 0.000 0.745 238 L CB -0.487 41.381 42.059 -0.319 0.000 0.894 238 L HN 0.751 nan 8.230 nan 0.000 0.432 239 E N -0.446 119.647 120.200 -0.178 0.000 2.049 239 E HA -0.323 4.028 4.350 0.001 0.000 0.198 239 E C 2.201 178.805 176.600 0.007 0.000 1.007 239 E CA 1.549 57.892 56.400 -0.095 0.000 0.809 239 E CB -0.156 29.506 29.700 -0.064 0.000 0.749 239 E HN 0.370 nan 8.360 nan 0.000 0.450 240 R N 0.968 121.467 120.500 -0.001 0.000 2.083 240 R HA -0.215 4.126 4.340 0.001 0.000 0.237 240 R C 2.521 178.863 176.300 0.069 0.000 1.137 240 R CA 1.926 58.041 56.100 0.025 0.000 0.951 240 R CB -0.164 30.135 30.300 -0.002 0.000 0.851 240 R HN 0.187 nan 8.270 nan 0.000 0.434 241 Q N -0.406 119.447 119.800 0.088 0.000 2.030 241 Q HA -0.245 4.095 4.340 0.001 0.000 0.204 241 Q C 1.827 177.918 176.000 0.153 0.000 0.986 241 Q CA 2.003 57.887 55.803 0.134 0.000 0.843 241 Q CB -0.348 28.492 28.738 0.170 0.000 0.904 241 Q HN 0.585 nan 8.270 nan 0.000 0.420 242 Y N 0.025 120.318 120.300 -0.011 0.000 2.207 242 Y HA -0.254 4.297 4.550 0.001 0.000 0.287 242 Y C 2.662 178.665 175.900 0.172 0.000 1.156 242 Y CA 0.650 58.825 58.100 0.126 0.000 1.182 242 Y CB 0.204 38.805 38.460 0.235 0.000 0.979 242 Y HN 0.283 nan 8.280 nan 0.000 0.521 243 Q N -0.016 119.928 119.800 0.241 0.000 2.230 243 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 243 Q C 2.097 178.151 176.000 0.091 0.000 0.963 243 Q CA 1.084 56.975 55.803 0.146 0.000 0.866 243 Q CB -0.124 28.669 28.738 0.092 0.000 0.931 243 Q HN 0.562 nan 8.270 nan 0.000 0.452 244 L N -0.480 120.780 121.223 0.062 0.000 2.446 244 L HA 0.059 4.400 4.340 0.001 0.000 0.219 244 L C 0.845 177.708 176.870 -0.012 0.000 1.116 244 L CA 0.173 55.033 54.840 0.033 0.000 0.844 244 L CB 0.177 42.259 42.059 0.039 0.000 0.970 244 L HN -0.093 nan 8.230 nan 0.000 0.457 245 R N 0.151 120.580 120.500 -0.117 0.000 2.441 245 R HA 0.150 4.491 4.340 0.001 0.000 0.284 245 R C 1.005 177.221 176.300 -0.140 0.000 1.070 245 R CA -0.245 55.672 56.100 -0.304 0.000 1.047 245 R CB 1.217 30.971 30.300 -0.910 0.000 1.016 245 R HN 0.111 nan 8.270 nan 0.000 0.477 246 L N 2.582 123.764 121.223 -0.070 0.000 2.217 246 L HA -0.029 4.312 4.340 0.001 0.000 0.211 246 L C 0.117 177.065 176.870 0.130 0.000 1.107 246 L CA 0.909 55.782 54.840 0.055 0.000 0.783 246 L CB 0.062 42.182 42.059 0.102 0.000 0.919 246 L HN 0.811 nan 8.230 nan 0.000 0.442 247 F N -0.199 119.714 119.950 -0.062 0.000 3.034 247 F HA -0.325 4.203 4.527 0.001 0.000 0.286 247 F C 0.640 176.426 175.800 -0.024 0.000 0.804 247 F CA 0.974 58.919 58.000 -0.090 0.000 1.161 247 F CB -1.144 37.773 39.000 -0.138 0.000 1.317 247 F HN 0.140 nan 8.300 nan 0.000 0.453 248 K N 0.231 120.706 120.400 0.125 0.000 2.464 248 K HA 0.441 4.762 4.320 0.001 0.000 0.253 248 K C 0.184 176.856 176.600 0.120 0.000 0.933 248 K CA -0.336 56.023 56.287 0.119 0.000 0.801 248 K CB 1.392 33.957 32.500 0.109 0.000 1.271 248 K HN -0.055 nan 8.250 nan 0.000 0.430 249 D N 2.543 123.016 120.400 0.122 0.000 3.018 249 D HA -0.209 4.432 4.640 0.001 0.000 0.224 249 D C 0.609 177.003 176.300 0.158 0.000 1.185 249 D CA 2.047 56.126 54.000 0.133 0.000 0.858 249 D CB -1.264 39.608 40.800 0.120 0.000 1.112 249 D HN 1.065 nan 8.370 nan 0.000 0.415 250 G N -0.645 108.253 108.800 0.163 0.000 2.153 250 G HA2 -0.390 3.571 3.960 0.001 0.000 0.252 250 G HA3 -0.390 3.571 3.960 0.001 0.000 0.252 250 G C 0.296 175.414 174.900 0.362 0.000 0.994 250 G CA 0.854 46.096 45.100 0.237 0.000 0.698 250 G HN 0.506 nan 8.290 nan 0.000 0.521 251 K N -0.769 119.789 120.400 0.264 0.000 2.090 251 K HA 0.710 5.031 4.320 0.001 0.000 0.249 251 K C 0.629 177.388 176.600 0.266 0.000 0.995 251 K CA -0.771 55.723 56.287 0.345 0.000 0.914 251 K CB 1.090 33.748 32.500 0.263 0.000 1.057 251 K HN 0.146 nan 8.250 nan 0.000 0.462 252 L N 1.802 123.200 121.223 0.291 0.000 2.357 252 L HA 0.289 4.630 4.340 0.001 0.000 0.273 252 L C 0.277 177.288 176.870 0.234 0.000 1.080 252 L CA -0.566 54.368 54.840 0.157 0.000 0.803 252 L CB 0.903 43.015 42.059 0.089 0.000 1.174 252 L HN 0.406 nan 8.230 nan 0.000 0.443 253 K N 1.586 122.082 120.400 0.159 0.000 2.380 253 K HA 0.242 4.563 4.320 0.001 0.000 0.267 253 K C -1.147 175.607 176.600 0.256 0.000 0.990 253 K CA 0.352 56.732 56.287 0.155 0.000 0.946 253 K CB 0.512 33.047 32.500 0.058 0.000 0.937 253 K HN 0.464 nan 8.250 nan 0.000 0.491 254 Y N -1.965 118.370 120.300 0.058 0.000 2.670 254 Y HA 0.303 4.854 4.550 0.002 0.000 0.334 254 Y C -1.276 174.662 175.900 0.064 0.000 1.185 254 Y CA -1.401 56.738 58.100 0.066 0.000 1.053 254 Y CB 1.068 39.565 38.460 0.061 0.000 1.298 254 Y HN 0.596 nan 8.280 nan 0.000 0.459 255 Q N 1.788 121.690 119.800 0.170 0.000 2.458 255 Q HA 0.685 5.026 4.340 0.001 0.000 0.282 255 Q C -1.522 174.608 176.000 0.217 0.000 1.106 255 Q CA -1.316 54.539 55.803 0.087 0.000 0.814 255 Q CB 2.729 31.507 28.738 0.066 0.000 1.425 255 Q HN 0.660 nan 8.270 nan 0.000 0.437 256 M N 2.762 122.450 119.600 0.147 0.000 2.072 256 M HA 0.453 4.934 4.480 0.001 0.000 0.331 256 M C -1.376 175.018 176.300 0.156 0.000 1.004 256 M CA -0.295 55.108 55.300 0.171 0.000 0.952 256 M CB 0.728 33.402 32.600 0.124 0.000 1.511 256 M HN 0.642 nan 8.290 nan 0.000 0.422 257 L N 4.713 126.082 121.223 0.243 0.000 2.372 257 L HA 0.439 4.780 4.340 0.001 0.000 0.274 257 L C 0.187 177.175 176.870 0.197 0.000 0.988 257 L CA -0.557 54.390 54.840 0.177 0.000 0.833 257 L CB 1.351 43.467 42.059 0.096 0.000 1.236 257 L HN 0.719 nan 8.230 nan 0.000 0.410 258 N N 2.743 121.505 118.700 0.104 0.000 2.741 258 N HA -0.211 4.530 4.740 0.001 0.000 0.250 258 N C 0.949 176.506 175.510 0.077 0.000 1.115 258 N CA 1.297 54.395 53.050 0.081 0.000 0.724 258 N CB -0.922 37.611 38.487 0.077 0.000 1.090 258 N HN 1.152 nan 8.380 nan 0.000 0.558 259 G N -1.413 107.432 108.800 0.076 0.000 2.195 259 G HA2 -0.294 3.667 3.960 0.001 0.000 0.246 259 G HA3 -0.294 3.667 3.960 0.001 0.000 0.246 259 G C -0.274 174.642 174.900 0.026 0.000 0.984 259 G CA 0.546 45.675 45.100 0.048 0.000 0.633 259 G HN 0.444 nan 8.290 nan 0.000 0.525 260 E N 0.087 120.308 120.200 0.035 0.000 2.214 260 E HA 0.538 4.889 4.350 0.001 0.000 0.274 260 E C 0.018 176.512 176.600 -0.178 0.000 0.977 260 E CA -0.766 55.561 56.400 -0.121 0.000 0.827 260 E CB 2.412 31.976 29.700 -0.226 0.000 1.130 260 E HN 0.115 nan 8.360 nan 0.000 0.394 261 V N 3.621 123.371 119.914 -0.273 0.000 2.427 261 V HA 0.144 4.265 4.120 0.001 0.000 0.268 261 V C -0.627 175.266 176.094 -0.336 0.000 1.046 261 V CA 0.096 62.301 62.300 -0.159 0.000 0.970 261 V CB -0.642 31.070 31.823 -0.185 0.000 1.001 261 V HN 0.501 nan 8.190 nan 0.000 0.476 262 Y N 5.767 126.135 120.300 0.112 0.000 2.598 262 Y HA 0.528 5.079 4.550 0.002 0.000 0.340 262 Y C -2.056 173.920 175.900 0.126 0.000 1.038 262 Y CA -2.800 55.353 58.100 0.088 0.000 1.100 262 Y CB 2.100 40.596 38.460 0.059 0.000 1.281 262 Y HN 0.403 nan 8.280 nan 0.000 0.488 263 P HA 0.039 nan 4.420 nan 0.000 0.269 263 P C -2.663 174.739 177.300 0.170 0.000 1.215 263 P CA -1.148 62.074 63.100 0.205 0.000 0.780 263 P CB 0.056 31.860 31.700 0.173 0.000 0.898 264 P HA 0.036 nan 4.420 nan 0.000 0.276 264 P C -0.031 177.294 177.300 0.042 0.000 1.244 264 P CA -0.102 63.041 63.100 0.072 0.000 0.801 264 P CB 0.339 32.068 31.700 0.048 0.000 1.006 265 S N 0.039 115.743 115.700 0.007 0.000 2.585 265 S HA 0.067 4.537 4.470 0.001 0.000 0.273 265 S C 1.468 176.054 174.600 -0.023 0.000 1.339 265 S CA -0.619 57.566 58.200 -0.026 0.000 1.028 265 S CB 0.005 63.178 63.200 -0.046 0.000 0.906 265 S HN 0.235 nan 8.310 nan 0.000 0.528 266 V N 1.935 121.821 119.914 -0.046 0.000 2.720 266 V HA -0.148 3.973 4.120 0.001 0.000 0.256 266 V C 2.521 178.597 176.094 -0.029 0.000 1.082 266 V CA 2.056 64.337 62.300 -0.032 0.000 1.101 266 V CB -1.195 30.597 31.823 -0.053 0.000 0.693 266 V HN 0.925 nan 8.190 nan 0.000 0.479 267 E N -0.545 119.632 120.200 -0.039 0.000 2.204 267 E HA -0.183 4.168 4.350 0.001 0.000 0.194 267 E C 2.136 178.723 176.600 -0.022 0.000 0.989 267 E CA 0.954 57.335 56.400 -0.032 0.000 0.824 267 E CB 0.030 29.707 29.700 -0.038 0.000 0.756 267 E HN 0.570 nan 8.360 nan 0.000 0.477 268 E N -0.393 119.796 120.200 -0.018 0.000 2.276 268 E HA 0.081 4.432 4.350 0.001 0.000 0.193 268 E C 0.198 176.800 176.600 0.003 0.000 0.983 268 E CA 0.284 56.677 56.400 -0.012 0.000 0.861 268 E CB 0.804 30.491 29.700 -0.022 0.000 0.817 268 E HN 0.051 nan 8.360 nan 0.000 0.485 269 A N 2.790 125.615 122.820 0.009 0.000 2.709 269 A HA 0.351 4.672 4.320 0.001 0.000 0.332 269 A C -2.455 175.138 177.584 0.016 0.000 1.241 269 A CA -1.380 50.670 52.037 0.022 0.000 0.782 269 A CB 0.531 19.550 19.000 0.033 0.000 1.109 269 A HN -0.173 nan 8.150 nan 0.000 0.472 270 P HA 0.185 nan 4.420 nan 0.000 0.230 270 P C 0.121 177.422 177.300 0.001 0.000 1.791 270 P CA 0.339 63.440 63.100 0.001 0.000 1.020 270 P CB -0.177 31.522 31.700 -0.002 0.000 1.977 271 V N 0.218 120.133 119.914 0.002 0.000 2.966 271 V HA 0.431 4.552 4.120 0.001 0.000 0.317 271 V C 0.273 176.352 176.094 -0.025 0.000 1.070 271 V CA -1.640 60.654 62.300 -0.009 0.000 1.008 271 V CB 1.625 33.445 31.823 -0.005 0.000 1.070 271 V HN 0.115 nan 8.190 nan 0.000 0.457 272 L N 3.537 124.727 121.223 -0.056 0.000 2.477 272 L HA 0.377 4.718 4.340 0.001 0.000 0.272 272 L C -0.325 176.467 176.870 -0.130 0.000 1.157 272 L CA 0.419 55.196 54.840 -0.104 0.000 0.889 272 L CB 0.319 42.294 42.059 -0.141 0.000 1.158 272 L HN 0.680 nan 8.230 nan 0.000 0.473 273 M N 4.501 124.045 119.600 -0.092 0.000 2.393 273 M HA 0.256 4.737 4.480 0.001 0.000 0.299 273 M C -0.941 175.318 176.300 -0.068 0.000 1.103 273 M CA -0.450 54.831 55.300 -0.032 0.000 0.910 273 M CB 1.666 34.417 32.600 0.251 0.000 1.659 273 M HN 0.504 nan 8.290 nan 0.000 0.445 274 H N 2.554 121.606 119.070 -0.031 0.000 2.969 274 H HA 0.364 4.921 4.556 0.001 0.000 0.269 274 H C -1.334 173.889 175.328 -0.175 0.000 1.223 274 H CA 0.455 56.471 56.048 -0.054 0.000 1.400 274 H CB 0.029 29.757 29.762 -0.056 0.000 1.500 274 H HN 0.377 nan 8.280 nan 0.000 0.486 275 Y N 2.063 122.415 120.300 0.087 0.000 2.562 275 Y HA 0.302 4.852 4.550 0.001 0.000 0.343 275 Y C -1.879 174.009 175.900 -0.021 0.000 1.025 275 Y CA -2.874 55.247 58.100 0.035 0.000 1.082 275 Y CB 1.014 39.480 38.460 0.011 0.000 1.264 275 Y HN 0.524 nan 8.280 nan 0.000 0.478 276 P HA 0.142 nan 4.420 nan 0.000 0.263 276 P C -0.348 176.956 177.300 0.006 0.000 1.195 276 P CA -0.007 63.060 63.100 -0.055 0.000 0.762 276 P CB 0.267 31.883 31.700 -0.140 0.000 0.799 277 R N 2.432 122.925 120.500 -0.011 0.000 2.502 277 R HA 0.411 4.752 4.340 0.001 0.000 0.292 277 R C 1.436 177.728 176.300 -0.014 0.000 0.998 277 R CA 0.412 56.510 56.100 -0.003 0.000 1.056 277 R CB -1.301 28.995 30.300 -0.007 0.000 0.939 277 R HN 0.942 nan 8.270 nan 0.000 0.411 278 G N 1.151 109.944 108.800 -0.013 0.000 2.339 278 G HA2 -0.179 3.782 3.960 0.001 0.000 0.209 278 G HA3 -0.179 3.782 3.960 0.001 0.000 0.209 278 G C 0.475 175.359 174.900 -0.027 0.000 1.015 278 G CA -0.063 45.025 45.100 -0.019 0.000 0.635 278 G HN 0.783 nan 8.290 nan 0.000 0.499 279 I N 4.599 125.154 120.570 -0.026 0.000 2.741 279 I HA 0.148 4.319 4.170 0.001 0.000 0.288 279 I C -1.212 174.857 176.117 -0.080 0.000 1.192 279 I CA -1.026 60.245 61.300 -0.047 0.000 1.426 279 I CB 0.654 38.633 38.000 -0.035 0.000 1.367 279 I HN 0.080 nan 8.210 nan 0.000 0.563 280 P HA 0.137 nan 4.420 nan 0.000 0.271 280 P C -2.336 174.887 177.300 -0.128 0.000 1.216 280 P CA -1.499 61.548 63.100 -0.088 0.000 0.771 280 P CB 0.306 31.962 31.700 -0.072 0.000 0.864 281 P HA -0.170 nan 4.420 nan 0.000 0.220 281 P C 1.650 178.868 177.300 -0.137 0.000 1.148 281 P CA 1.450 64.471 63.100 -0.132 0.000 0.803 281 P CB -0.155 31.494 31.700 -0.086 0.000 0.782 282 Q N 0.059 119.795 119.800 -0.108 0.000 2.364 282 Q HA -0.067 4.274 4.340 0.001 0.000 0.207 282 Q C 1.321 177.252 176.000 -0.116 0.000 0.970 282 Q CA 1.884 57.631 55.803 -0.094 0.000 0.888 282 Q CB -1.070 27.625 28.738 -0.070 0.000 0.951 282 Q HN 0.336 nan 8.270 nan 0.000 0.469 283 S N -0.932 114.677 115.700 -0.152 0.000 2.557 283 S HA 0.186 4.657 4.470 0.001 0.000 0.223 283 S C 0.219 174.647 174.600 -0.286 0.000 0.969 283 S CA -0.622 57.475 58.200 -0.172 0.000 0.927 283 S CB 0.230 63.346 63.200 -0.139 0.000 0.806 283 S HN 0.283 nan 8.310 nan 0.000 0.489 284 Q N 1.494 121.066 119.800 -0.380 0.000 2.331 284 Q HA 0.482 4.823 4.340 0.001 0.000 0.257 284 Q C -0.737 175.091 176.000 -0.287 0.000 0.957 284 Q CA 0.003 55.390 55.803 -0.693 0.000 0.923 284 Q CB 1.388 29.673 28.738 -0.755 0.000 1.212 284 Q HN 0.448 nan 8.270 nan 0.000 0.443 285 M N 1.679 121.229 119.600 -0.084 0.000 2.233 285 M HA 0.478 4.959 4.480 0.001 0.000 0.355 285 M C -0.349 176.053 176.300 0.171 0.000 1.191 285 M CA -0.568 54.781 55.300 0.082 0.000 1.101 285 M CB 1.417 34.094 32.600 0.128 0.000 1.592 285 M HN 0.599 nan 8.290 nan 0.000 0.461 286 A N 3.634 126.520 122.820 0.110 0.000 2.249 286 A HA 0.707 5.028 4.320 0.001 0.000 0.314 286 A C -0.417 177.219 177.584 0.087 0.000 1.290 286 A CA -0.601 51.495 52.037 0.099 0.000 0.893 286 A CB 0.400 19.434 19.000 0.058 0.000 1.165 286 A HN 0.762 nan 8.150 nan 0.000 0.530 287 V N 0.087 120.043 119.914 0.071 0.000 3.158 287 V HA 0.869 4.990 4.120 0.001 0.000 0.311 287 V C 1.141 177.205 176.094 -0.050 0.000 1.181 287 V CA -0.054 62.267 62.300 0.036 0.000 1.054 287 V CB 1.035 32.920 31.823 0.104 0.000 1.085 287 V HN 1.014 nan 8.190 nan 0.000 0.446 288 G N -0.610 108.129 108.800 -0.103 0.000 2.469 288 G HA2 -0.106 3.855 3.960 0.001 0.000 0.220 288 G HA3 -0.106 3.855 3.960 0.001 0.000 0.220 288 G C 0.708 175.458 174.900 -0.251 0.000 1.136 288 G CA 0.918 45.928 45.100 -0.150 0.000 0.759 288 G HN 0.685 nan 8.290 nan 0.000 0.562 289 Q N -0.388 119.134 119.800 -0.463 0.000 2.316 289 Q HA 0.296 4.637 4.340 0.001 0.000 0.264 289 Q C 0.541 176.263 176.000 -0.463 0.000 0.987 289 Q CA -0.343 55.041 55.803 -0.698 0.000 0.852 289 Q CB 2.007 29.727 28.738 -1.696 0.000 1.287 289 Q HN 0.237 nan 8.270 nan 0.000 0.448 290 E N 1.179 121.228 120.200 -0.252 0.000 2.153 290 E HA -0.146 4.205 4.350 0.001 0.000 0.194 290 E C 1.525 178.126 176.600 0.002 0.000 0.988 290 E CA 1.399 57.743 56.400 -0.094 0.000 0.811 290 E CB 0.137 29.827 29.700 -0.016 0.000 0.746 290 E HN 0.518 nan 8.360 nan 0.000 0.466 291 V N -2.386 117.544 119.914 0.027 0.000 3.650 291 V HA 0.079 4.200 4.120 0.001 0.000 0.271 291 V C 1.288 177.503 176.094 0.202 0.000 1.281 291 V CA 0.281 62.658 62.300 0.127 0.000 1.120 291 V CB -0.464 31.461 31.823 0.171 0.000 0.856 291 V HN -0.000 nan 8.190 nan 0.000 0.443 292 F N 2.996 122.901 119.950 -0.075 0.000 2.546 292 F HA 0.253 4.781 4.527 0.001 0.000 0.298 292 F C 2.268 178.003 175.800 -0.108 0.000 1.120 292 F CA 0.635 58.590 58.000 -0.074 0.000 1.456 292 F CB -1.145 37.839 39.000 -0.027 0.000 1.088 292 F HN 0.377 nan 8.300 nan 0.000 0.572 293 G N -0.647 108.128 108.800 -0.041 0.000 2.623 293 G HA2 -0.040 3.921 3.960 0.001 0.000 0.214 293 G HA3 -0.040 3.921 3.960 0.001 0.000 0.214 293 G C 1.715 176.492 174.900 -0.205 0.000 1.138 293 G CA 0.025 44.993 45.100 -0.221 0.000 0.794 293 G HN 0.330 nan 8.290 nan 0.000 0.535 294 L N -0.709 120.432 121.223 -0.137 0.000 2.291 294 L HA 0.279 4.620 4.340 0.001 0.000 0.214 294 L C 0.445 177.204 176.870 -0.186 0.000 1.120 294 L CA 0.430 55.266 54.840 -0.006 0.000 0.799 294 L CB -0.095 42.040 42.059 0.126 0.000 0.925 294 L HN 0.075 nan 8.230 nan 0.000 0.446 295 L N -1.252 119.824 121.223 -0.245 0.000 2.410 295 L HA 0.304 4.645 4.340 0.001 0.000 0.270 295 L C -1.779 174.798 176.870 -0.490 0.000 0.983 295 L CA -1.559 53.014 54.840 -0.446 0.000 0.822 295 L CB 2.158 44.025 42.059 -0.319 0.000 1.285 295 L HN -0.330 nan 8.230 nan 0.000 0.409 296 P HA -0.142 nan 4.420 nan 0.000 0.215 296 P C 1.464 178.539 177.300 -0.376 0.000 1.153 296 P CA 1.300 64.105 63.100 -0.492 0.000 0.853 296 P CB 0.267 31.600 31.700 -0.611 0.000 0.788 297 G N -0.546 107.838 108.800 -0.694 0.000 2.442 297 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 297 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 297 G C 1.350 175.967 174.900 -0.472 0.000 1.141 297 G CA 0.649 45.084 45.100 -1.109 0.000 0.763 297 G HN 0.144 nan 8.290 nan 0.000 0.554 298 L N -0.397 120.575 121.223 -0.419 0.000 2.023 298 L HA 0.181 4.522 4.340 0.001 0.000 0.205 298 L C 2.697 179.453 176.870 -0.190 0.000 1.073 298 L CA 1.425 56.040 54.840 -0.375 0.000 0.745 298 L CB -0.822 40.910 42.059 -0.547 0.000 0.900 298 L HN 0.197 nan 8.230 nan 0.000 0.435 299 M N -1.169 118.363 119.600 -0.113 0.000 2.358 299 M HA -0.163 4.318 4.480 0.001 0.000 0.264 299 M C 1.997 178.317 176.300 0.034 0.000 1.064 299 M CA 1.352 56.665 55.300 0.021 0.000 1.093 299 M CB -0.578 32.033 32.600 0.018 0.000 1.401 299 M HN 0.196 nan 8.290 nan 0.000 0.440 300 L N -1.273 119.937 121.223 -0.022 0.000 1.976 300 L HA -0.276 4.064 4.340 0.001 0.000 0.209 300 L C 1.980 178.799 176.870 -0.085 0.000 1.071 300 L CA 1.920 56.744 54.840 -0.027 0.000 0.746 300 L CB -0.605 41.441 42.059 -0.022 0.000 0.890 300 L HN 0.252 nan 8.230 nan 0.000 0.432 301 Y N -0.207 119.993 120.300 -0.166 0.000 2.242 301 Y HA -0.186 4.364 4.550 0.001 0.000 0.291 301 Y C 2.611 178.440 175.900 -0.118 0.000 1.137 301 Y CA 1.258 59.188 58.100 -0.285 0.000 1.181 301 Y CB -0.536 37.439 38.460 -0.808 0.000 0.989 301 Y HN 0.308 nan 8.280 nan 0.000 0.527 302 A N -0.449 122.460 122.820 0.148 0.000 1.908 302 A HA -0.228 4.093 4.320 0.001 0.000 0.218 302 A C 2.261 179.960 177.584 0.190 0.000 1.181 302 A CA 2.402 54.613 52.037 0.290 0.000 0.627 302 A CB -1.206 17.996 19.000 0.337 0.000 0.818 302 A HN 0.420 nan 8.150 nan 0.000 0.445 303 T N 0.349 114.978 114.554 0.126 0.000 2.701 303 T HA -0.088 4.263 4.350 0.001 0.000 0.263 303 T C 1.831 176.538 174.700 0.010 0.000 1.040 303 T CA 1.495 63.645 62.100 0.083 0.000 1.147 303 T CB -0.440 68.483 68.868 0.090 0.000 0.865 303 T HN 0.429 nan 8.240 nan 0.000 0.426 304 I N -0.667 119.868 120.570 -0.058 0.000 2.163 304 I HA -0.213 3.958 4.170 0.001 0.000 0.243 304 I C 2.303 178.329 176.117 -0.153 0.000 1.085 304 I CA 1.584 62.776 61.300 -0.179 0.000 1.347 304 I CB -0.365 37.435 38.000 -0.334 0.000 1.044 304 I HN 0.330 nan 8.210 nan 0.000 0.408 305 W N 0.561 121.851 121.300 -0.017 0.000 2.388 305 W HA -0.122 4.539 4.660 0.001 0.000 0.294 305 W C 2.484 179.016 176.519 0.021 0.000 1.212 305 W CA 0.648 58.002 57.345 0.014 0.000 1.271 305 W CB -0.342 29.118 29.460 0.001 0.000 1.126 305 W HN 0.097 nan 8.180 nan 0.000 0.535 306 L N 0.633 121.983 121.223 0.211 0.000 2.046 306 L HA -0.186 4.155 4.340 0.001 0.000 0.208 306 L C 2.657 179.597 176.870 0.117 0.000 1.077 306 L CA 1.724 56.649 54.840 0.142 0.000 0.747 306 L CB -0.410 41.711 42.059 0.103 0.000 0.896 306 L HN -0.071 nan 8.230 nan 0.000 0.432 307 R N -0.675 119.843 120.500 0.030 0.000 2.189 307 R HA -0.206 4.135 4.340 0.001 0.000 0.223 307 R C 2.119 178.402 176.300 -0.028 0.000 1.092 307 R CA 1.371 57.441 56.100 -0.050 0.000 0.989 307 R CB 0.036 30.267 30.300 -0.115 0.000 0.876 307 R HN 0.420 nan 8.270 nan 0.000 0.457 308 E N -0.766 119.442 120.200 0.013 0.000 2.112 308 E HA -0.178 4.173 4.350 0.001 0.000 0.190 308 E C 1.611 178.290 176.600 0.131 0.000 0.979 308 E CA 1.455 57.871 56.400 0.026 0.000 0.814 308 E CB -0.129 29.549 29.700 -0.036 0.000 0.762 308 E HN 0.441 nan 8.360 nan 0.000 0.460 309 H N 0.025 119.178 119.070 0.139 0.000 2.293 309 H HA -0.044 4.513 4.556 0.001 0.000 0.300 309 H C 1.564 176.976 175.328 0.140 0.000 1.082 309 H CA 2.324 58.486 56.048 0.191 0.000 1.308 309 H CB -0.085 29.828 29.762 0.251 0.000 1.375 309 H HN 0.129 nan 8.280 nan 0.000 0.495 310 N N 0.309 119.125 118.700 0.192 0.000 2.166 310 N HA -0.143 4.598 4.740 0.001 0.000 0.186 310 N C 1.983 177.489 175.510 -0.008 0.000 1.019 310 N CA 1.062 54.163 53.050 0.084 0.000 0.856 310 N CB -0.394 38.105 38.487 0.019 0.000 0.993 310 N HN 0.410 nan 8.380 nan 0.000 0.426 311 R N 0.842 121.330 120.500 -0.019 0.000 2.081 311 R HA -0.053 4.288 4.340 0.001 0.000 0.235 311 R C 1.578 177.865 176.300 -0.021 0.000 1.131 311 R CA 1.035 57.117 56.100 -0.031 0.000 0.960 311 R CB -0.180 30.097 30.300 -0.039 0.000 0.856 311 R HN 0.009 nan 8.270 nan 0.000 0.436 312 V N 0.346 120.248 119.914 -0.021 0.000 2.427 312 V HA -0.299 3.822 4.120 0.001 0.000 0.248 312 V C 2.526 178.609 176.094 -0.018 0.000 1.051 312 V CA 1.680 63.972 62.300 -0.013 0.000 1.048 312 V CB -0.447 31.376 31.823 -0.001 0.000 0.666 312 V HN 0.533 nan 8.190 nan 0.000 0.456 313 C N 0.047 119.314 119.300 -0.055 0.000 2.413 313 C HA -0.163 4.298 4.460 0.001 0.000 0.277 313 C C 2.473 177.479 174.990 0.027 0.000 1.265 313 C CA 0.793 59.811 59.018 0.001 0.000 1.752 313 C CB -1.071 26.679 27.740 0.017 0.000 1.998 313 C HN 0.575 nan 8.230 nan 0.000 0.489 314 D N 0.763 121.168 120.400 0.008 0.000 2.178 314 D HA -0.054 4.587 4.640 0.001 0.000 0.201 314 D C 2.007 178.302 176.300 -0.008 0.000 0.980 314 D CA 1.008 55.010 54.000 0.003 0.000 0.842 314 D CB -0.273 40.521 40.800 -0.009 0.000 0.948 314 D HN 0.463 nan 8.370 nan 0.000 0.472 315 L N -0.302 120.917 121.223 -0.007 0.000 2.131 315 L HA -0.088 4.253 4.340 0.001 0.000 0.206 315 L C 2.137 178.992 176.870 -0.025 0.000 1.087 315 L CA 0.254 55.084 54.840 -0.017 0.000 0.767 315 L CB -0.158 41.898 42.059 -0.004 0.000 0.917 315 L HN 0.027 nan 8.230 nan 0.000 0.441 316 L N 0.282 121.514 121.223 0.014 0.000 2.017 316 L HA -0.202 4.139 4.340 0.001 0.000 0.208 316 L C 2.534 179.383 176.870 -0.036 0.000 1.073 316 L CA 1.708 56.568 54.840 0.034 0.000 0.745 316 L CB -0.960 41.183 42.059 0.140 0.000 0.894 316 L HN 0.217 nan 8.230 nan 0.000 0.432 317 K N -0.665 119.739 120.400 0.007 0.000 2.152 317 K HA -0.166 4.155 4.320 0.001 0.000 0.206 317 K C 1.954 178.510 176.600 -0.073 0.000 1.048 317 K CA 1.235 57.521 56.287 -0.001 0.000 0.933 317 K CB -0.006 32.520 32.500 0.043 0.000 0.721 317 K HN 0.296 nan 8.250 nan 0.000 0.447 318 A N 0.725 123.492 122.820 -0.088 0.000 2.019 318 A HA -0.144 4.177 4.320 0.001 0.000 0.219 318 A C 1.557 179.023 177.584 -0.196 0.000 1.164 318 A CA 1.484 53.454 52.037 -0.110 0.000 0.644 318 A CB -0.169 18.780 19.000 -0.085 0.000 0.805 318 A HN 0.429 nan 8.150 nan 0.000 0.449 319 E N -1.482 118.524 120.200 -0.324 0.000 2.489 319 E HA 0.066 4.417 4.350 0.001 0.000 0.204 319 E C -0.589 175.419 176.600 -0.987 0.000 1.006 319 E CA -0.032 56.020 56.400 -0.580 0.000 0.936 319 E CB 0.307 29.629 29.700 -0.630 0.000 1.002 319 E HN 0.656 nan 8.360 nan 0.000 0.488 320 H N -0.689 118.113 119.070 -0.447 0.000 2.514 320 H HA 0.163 4.720 4.556 0.001 0.000 0.226 320 H C -2.199 172.954 175.328 -0.291 0.000 1.421 320 H CA -1.647 54.010 56.048 -0.651 0.000 1.394 320 H CB 0.954 29.681 29.762 -1.725 0.000 1.701 320 H HN 0.069 nan 8.280 nan 0.000 0.515 321 P HA -0.124 nan 4.420 nan 0.000 0.222 321 P C 1.728 179.074 177.300 0.076 0.000 1.147 321 P CA 1.334 64.435 63.100 0.002 0.000 0.790 321 P CB 0.183 31.873 31.700 -0.016 0.000 0.780 322 T N -6.888 107.734 114.554 0.113 0.000 3.081 322 T HA -0.010 4.340 4.350 0.001 0.000 0.255 322 T C 0.363 175.251 174.700 0.315 0.000 1.113 322 T CA -0.293 61.916 62.100 0.182 0.000 1.082 322 T CB -0.592 68.380 68.868 0.173 0.000 0.939 322 T HN -0.151 nan 8.240 nan 0.000 0.506 323 W N 2.659 123.999 121.300 0.068 0.000 2.216 323 W HA 0.656 5.317 4.660 0.001 0.000 0.326 323 W C 1.193 177.738 176.519 0.043 0.000 1.319 323 W CA -1.008 56.361 57.345 0.041 0.000 1.213 323 W CB 0.005 29.486 29.460 0.036 0.000 1.171 323 W HN 0.286 nan 8.180 nan 0.000 0.557 324 G N 1.555 110.466 108.800 0.186 0.000 2.611 324 G HA2 -0.036 3.925 3.960 0.001 0.000 0.273 324 G HA3 -0.036 3.925 3.960 0.001 0.000 0.273 324 G C 0.468 175.449 174.900 0.135 0.000 1.305 324 G CA 0.062 45.236 45.100 0.123 0.000 1.010 324 G HN 0.509 nan 8.290 nan 0.000 0.509 325 D N -1.269 119.199 120.400 0.114 0.000 2.117 325 D HA -0.138 4.503 4.640 0.001 0.000 0.198 325 D C 2.100 178.464 176.300 0.108 0.000 0.982 325 D CA 1.516 55.586 54.000 0.117 0.000 0.828 325 D CB 0.037 40.905 40.800 0.114 0.000 0.967 325 D HN 0.439 nan 8.370 nan 0.000 0.464 326 E N 0.225 120.470 120.200 0.074 0.000 2.051 326 E HA -0.244 4.107 4.350 0.001 0.000 0.192 326 E C 2.078 178.709 176.600 0.051 0.000 0.991 326 E CA 1.347 57.792 56.400 0.075 0.000 0.799 326 E CB -0.278 29.450 29.700 0.048 0.000 0.748 326 E HN 0.398 nan 8.360 nan 0.000 0.449 327 Q N -0.320 119.440 119.800 -0.067 0.000 2.084 327 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 327 Q C 2.230 178.176 176.000 -0.090 0.000 0.978 327 Q CA 1.524 57.170 55.803 -0.262 0.000 0.844 327 Q CB -0.117 28.231 28.738 -0.651 0.000 0.898 327 Q HN 0.360 nan 8.270 nan 0.000 0.426 328 L N -0.344 120.964 121.223 0.142 0.000 2.017 328 L HA -0.182 4.159 4.340 0.001 0.000 0.208 328 L C 2.307 179.286 176.870 0.182 0.000 1.073 328 L CA 1.310 56.303 54.840 0.256 0.000 0.745 328 L CB -0.541 41.675 42.059 0.263 0.000 0.894 328 L HN 0.324 nan 8.230 nan 0.000 0.432 329 F N 0.687 120.671 119.950 0.057 0.000 2.051 329 F HA -0.253 4.275 4.527 0.002 0.000 0.296 329 F C 2.714 178.542 175.800 0.046 0.000 1.122 329 F CA 1.605 59.657 58.000 0.087 0.000 1.201 329 F CB -0.331 38.671 39.000 0.004 0.000 0.978 329 F HN 0.042 nan 8.300 nan 0.000 0.472 330 Q N -0.159 119.526 119.800 -0.190 0.000 2.226 330 Q HA -0.126 4.215 4.340 0.001 0.000 0.204 330 Q C 2.162 178.018 176.000 -0.240 0.000 0.975 330 Q CA 1.961 57.569 55.803 -0.325 0.000 0.866 330 Q CB -1.016 27.648 28.738 -0.123 0.000 0.915 330 Q HN 0.456 nan 8.270 nan 0.000 0.440 331 T N 0.967 115.445 114.554 -0.127 0.000 2.896 331 T HA 0.043 4.394 4.350 0.001 0.000 0.263 331 T C 1.912 176.647 174.700 0.058 0.000 1.050 331 T CA 0.998 63.090 62.100 -0.014 0.000 1.140 331 T CB -0.081 68.849 68.868 0.104 0.000 0.877 331 T HN 0.371 nan 8.240 nan 0.000 0.457 332 A N 2.011 124.825 122.820 -0.009 0.000 1.898 332 A HA -0.083 4.238 4.320 0.001 0.000 0.216 332 A C 2.273 179.909 177.584 0.087 0.000 1.181 332 A CA 1.751 53.776 52.037 -0.019 0.000 0.620 332 A CB -0.588 18.225 19.000 -0.311 0.000 0.819 332 A HN 0.428 nan 8.150 nan 0.000 0.442 333 R N -0.162 120.300 120.500 -0.062 0.000 2.096 333 R HA -0.130 4.211 4.340 0.001 0.000 0.240 333 R C 1.921 178.304 176.300 0.139 0.000 1.139 333 R CA 1.888 57.953 56.100 -0.059 0.000 0.952 333 R CB -0.493 29.402 30.300 -0.675 0.000 0.854 333 R HN 0.505 nan 8.270 nan 0.000 0.436 334 L N 0.265 121.566 121.223 0.131 0.000 2.083 334 L HA -0.170 4.171 4.340 0.001 0.000 0.209 334 L C 2.483 179.666 176.870 0.523 0.000 1.083 334 L CA 1.182 56.216 54.840 0.323 0.000 0.752 334 L CB -0.350 41.846 42.059 0.227 0.000 0.899 334 L HN 0.279 nan 8.230 nan 0.000 0.433 335 I N -0.639 120.197 120.570 0.444 0.000 2.286 335 I HA -0.295 3.876 4.170 0.001 0.000 0.248 335 I C 2.215 178.515 176.117 0.306 0.000 1.115 335 I CA 1.141 62.636 61.300 0.326 0.000 1.392 335 I CB -0.075 38.078 38.000 0.256 0.000 1.065 335 I HN 0.184 nan 8.210 nan 0.000 0.418 336 L N -0.128 121.309 121.223 0.356 0.000 2.240 336 L HA -0.063 4.278 4.340 0.001 0.000 0.211 336 L C 2.166 179.246 176.870 0.350 0.000 1.106 336 L CA 1.461 56.566 54.840 0.440 0.000 0.793 336 L CB -0.349 42.017 42.059 0.512 0.000 0.927 336 L HN 0.150 nan 8.230 nan 0.000 0.446 337 I N -1.144 119.619 120.570 0.322 0.000 2.286 337 I HA -0.178 3.993 4.170 0.001 0.000 0.245 337 I C 2.435 178.730 176.117 0.297 0.000 1.104 337 I CA 1.280 62.752 61.300 0.286 0.000 1.397 337 I CB -0.715 37.468 38.000 0.304 0.000 1.072 337 I HN 0.312 nan 8.210 nan 0.000 0.417 338 G N 0.135 109.146 108.800 0.351 0.000 2.404 338 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 338 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 338 G C 1.514 176.553 174.900 0.231 0.000 1.174 338 G CA 0.478 45.782 45.100 0.340 0.000 0.780 338 G HN 0.358 nan 8.290 nan 0.000 0.537 339 E N -0.101 120.265 120.200 0.275 0.000 2.085 339 E HA -0.133 4.217 4.350 0.001 0.000 0.194 339 E C 2.799 179.611 176.600 0.355 0.000 0.994 339 E CA 1.537 58.121 56.400 0.307 0.000 0.801 339 E CB -0.230 29.704 29.700 0.391 0.000 0.743 339 E HN 0.354 nan 8.360 nan 0.000 0.453 340 T N 1.406 116.201 114.554 0.401 0.000 2.652 340 T HA -0.163 4.188 4.350 0.001 0.000 0.267 340 T C 1.992 176.780 174.700 0.146 0.000 1.039 340 T CA 1.179 63.492 62.100 0.355 0.000 1.153 340 T CB -0.223 68.752 68.868 0.179 0.000 0.863 340 T HN 0.137 nan 8.240 nan 0.000 0.428 341 I N 0.866 121.430 120.570 -0.010 0.000 2.315 341 I HA -0.135 4.036 4.170 0.001 0.000 0.248 341 I C 2.544 178.361 176.117 -0.499 0.000 1.117 341 I CA 1.084 62.222 61.300 -0.270 0.000 1.404 341 I CB -0.338 37.419 38.000 -0.404 0.000 1.071 341 I HN 0.157 nan 8.210 nan 0.000 0.419 342 K N 2.049 122.159 120.400 -0.482 0.000 2.063 342 K HA -0.151 4.170 4.320 0.001 0.000 0.208 342 K C 1.827 178.432 176.600 0.007 0.000 1.048 342 K CA 1.829 57.994 56.287 -0.204 0.000 0.928 342 K CB -0.372 32.189 32.500 0.101 0.000 0.713 342 K HN 0.282 nan 8.250 nan 0.000 0.442 343 I N -0.109 120.508 120.570 0.078 0.000 2.286 343 I HA -0.192 3.979 4.170 0.001 0.000 0.245 343 I C 2.054 178.224 176.117 0.088 0.000 1.104 343 I CA 0.620 62.004 61.300 0.140 0.000 1.397 343 I CB -0.134 38.016 38.000 0.250 0.000 1.072 343 I HN -0.046 nan 8.210 nan 0.000 0.417 344 V N 1.153 121.051 119.914 -0.027 0.000 2.343 344 V HA -0.271 3.850 4.120 0.001 0.000 0.247 344 V C 2.287 178.401 176.094 0.032 0.000 1.051 344 V CA 1.912 64.109 62.300 -0.171 0.000 1.036 344 V CB -0.315 31.225 31.823 -0.472 0.000 0.654 344 V HN 0.319 nan 8.190 nan 0.000 0.451 345 I N -0.489 120.097 120.570 0.026 0.000 2.233 345 I HA -0.159 4.012 4.170 0.001 0.000 0.243 345 I C 2.400 178.597 176.117 0.133 0.000 1.093 345 I CA 1.490 62.851 61.300 0.102 0.000 1.380 345 I CB -0.239 37.825 38.000 0.106 0.000 1.067 345 I HN 0.324 nan 8.210 nan 0.000 0.413 346 E N -0.242 120.036 120.200 0.130 0.000 2.442 346 E HA -0.101 4.250 4.350 0.001 0.000 0.195 346 E C 1.394 178.079 176.600 0.143 0.000 1.030 346 E CA 0.525 57.006 56.400 0.135 0.000 0.869 346 E CB 0.440 30.223 29.700 0.138 0.000 0.857 346 E HN 0.473 nan 8.360 nan 0.000 0.505 347 E N -1.125 119.189 120.200 0.190 0.000 2.564 347 E HA 0.007 4.358 4.350 0.001 0.000 0.203 347 E C 1.305 178.098 176.600 0.322 0.000 0.867 347 E CA -0.190 56.386 56.400 0.293 0.000 1.250 347 E CB 0.129 30.041 29.700 0.354 0.000 1.215 347 E HN 0.099 nan 8.360 nan 0.000 0.566 348 Y N 0.930 121.226 120.300 -0.007 0.000 2.130 348 Y HA -0.152 4.399 4.550 0.001 0.000 0.287 348 Y C 1.928 177.818 175.900 -0.017 0.000 1.124 348 Y CA 1.650 59.541 58.100 -0.347 0.000 1.118 348 Y CB -0.134 37.977 38.460 -0.581 0.000 0.994 348 Y HN -0.134 nan 8.280 nan 0.000 0.497 349 V N 0.756 120.821 119.914 0.251 0.000 2.490 349 V HA -0.283 3.838 4.120 0.001 0.000 0.250 349 V C 2.247 178.345 176.094 0.008 0.000 1.061 349 V CA 1.969 64.371 62.300 0.170 0.000 1.064 349 V CB -0.854 31.109 31.823 0.233 0.000 0.670 349 V HN 0.402 nan 8.190 nan 0.000 0.461 350 Q N 0.647 120.465 119.800 0.030 0.000 2.014 350 Q HA -0.291 4.050 4.340 0.001 0.000 0.207 350 Q C 2.285 178.228 176.000 -0.095 0.000 0.993 350 Q CA 2.521 58.314 55.803 -0.016 0.000 0.850 350 Q CB -0.506 28.259 28.738 0.045 0.000 0.916 350 Q HN 0.638 nan 8.270 nan 0.000 0.417 351 Q N -0.569 119.186 119.800 -0.075 0.000 2.135 351 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 351 Q C 1.817 177.621 176.000 -0.327 0.000 0.981 351 Q CA 1.550 57.255 55.803 -0.163 0.000 0.856 351 Q CB -0.490 28.193 28.738 -0.090 0.000 0.902 351 Q HN 0.465 nan 8.270 nan 0.000 0.425 352 L N -0.095 120.928 121.223 -0.332 0.000 1.988 352 L HA -0.117 4.223 4.340 0.001 0.000 0.207 352 L C 2.356 179.018 176.870 -0.347 0.000 1.071 352 L CA 2.303 56.918 54.840 -0.374 0.000 0.744 352 L CB -0.999 40.979 42.059 -0.135 0.000 0.893 352 L HN 0.435 nan 8.230 nan 0.000 0.433 353 S N -0.649 114.840 115.700 -0.352 0.000 2.382 353 S HA -0.012 4.459 4.470 0.001 0.000 0.228 353 S C 1.742 175.999 174.600 -0.572 0.000 1.027 353 S CA 0.817 58.616 58.200 -0.668 0.000 0.991 353 S CB -1.055 61.420 63.200 -1.209 0.000 0.823 353 S HN 0.885 nan 8.310 nan 0.000 0.469 354 G N 0.140 108.733 108.800 -0.344 0.000 2.153 354 G HA2 -0.286 3.675 3.960 0.001 0.000 0.252 354 G HA3 -0.286 3.675 3.960 0.001 0.000 0.252 354 G C 0.006 174.918 174.900 0.019 0.000 0.994 354 G CA 0.394 45.400 45.100 -0.157 0.000 0.698 354 G HN 0.688 nan 8.290 nan 0.000 0.521 355 Y N -1.063 119.170 120.300 -0.113 0.000 2.397 355 Y HA 0.377 4.928 4.550 0.002 0.000 0.335 355 Y C 1.403 177.248 175.900 -0.093 0.000 1.213 355 Y CA -1.121 56.860 58.100 -0.199 0.000 1.391 355 Y CB 0.383 38.693 38.460 -0.249 0.000 1.293 355 Y HN 0.001 nan 8.280 nan 0.000 0.557 356 F N 1.306 120.924 119.950 -0.554 0.000 2.789 356 F HA 0.044 4.572 4.527 0.001 0.000 0.300 356 F C 0.495 175.927 175.800 -0.613 0.000 1.132 356 F CA -0.306 57.330 58.000 -0.607 0.000 1.404 356 F CB -0.448 38.081 39.000 -0.784 0.000 1.114 356 F HN 0.249 nan 8.300 nan 0.000 0.584 357 L N 1.213 122.093 121.223 -0.571 0.000 2.369 357 L HA 0.171 4.512 4.340 0.001 0.000 0.279 357 L C 0.520 177.370 176.870 -0.033 0.000 1.108 357 L CA 0.015 54.689 54.840 -0.277 0.000 0.852 357 L CB 0.365 42.220 42.059 -0.340 0.000 1.169 357 L HN 0.065 nan 8.230 nan 0.000 0.452 358 Q N 5.044 124.868 119.800 0.041 0.000 2.325 358 Q HA 0.214 4.554 4.340 0.001 0.000 0.256 358 Q C -0.772 175.270 176.000 0.070 0.000 1.142 358 Q CA -0.148 55.684 55.803 0.049 0.000 0.902 358 Q CB 0.266 29.036 28.738 0.054 0.000 1.350 358 Q HN 0.693 nan 8.270 nan 0.000 0.449 359 L N 3.533 124.803 121.223 0.078 0.000 2.461 359 L HA 0.259 4.599 4.340 0.001 0.000 0.272 359 L C 0.372 177.307 176.870 0.108 0.000 1.197 359 L CA 0.303 55.204 54.840 0.102 0.000 0.836 359 L CB 0.383 42.511 42.059 0.116 0.000 1.105 359 L HN 0.438 nan 8.230 nan 0.000 0.477 360 K N 2.869 123.340 120.400 0.118 0.000 2.541 360 K HA 0.268 4.589 4.320 0.001 0.000 0.250 360 K C -1.629 175.064 176.600 0.154 0.000 0.950 360 K CA -0.583 55.772 56.287 0.114 0.000 0.805 360 K CB 1.762 34.301 32.500 0.065 0.000 1.166 360 K HN 0.305 nan 8.250 nan 0.000 0.430 361 F N 4.385 124.344 119.950 0.015 0.000 2.335 361 F HA 0.298 4.826 4.527 0.002 0.000 0.365 361 F C -0.692 175.072 175.800 -0.059 0.000 1.122 361 F CA -0.838 57.153 58.000 -0.015 0.000 1.151 361 F CB 0.447 39.461 39.000 0.023 0.000 1.282 361 F HN 0.412 nan 8.300 nan 0.000 0.513 362 D N 8.079 128.131 120.400 -0.580 0.000 2.319 362 D HA 0.334 4.975 4.640 0.001 0.000 0.237 362 D C -2.309 173.553 176.300 -0.730 0.000 1.353 362 D CA -1.872 51.737 54.000 -0.652 0.000 0.992 362 D CB 1.832 42.453 40.800 -0.299 0.000 1.368 362 D HN 0.157 nan 8.370 nan 0.000 0.564 363 P HA -0.116 nan 4.420 nan 0.000 0.218 363 P C 0.822 177.598 177.300 -0.875 0.000 1.146 363 P CA 0.935 63.513 63.100 -0.871 0.000 0.813 363 P CB 0.337 31.284 31.700 -1.255 0.000 0.778 364 E N -0.749 118.786 120.200 -1.110 0.000 2.267 364 E HA -0.140 4.211 4.350 0.001 0.000 0.197 364 E C 1.830 178.061 176.600 -0.615 0.000 0.998 364 E CA 0.512 56.110 56.400 -1.336 0.000 0.830 364 E CB -0.579 28.720 29.700 -0.669 0.000 0.751 364 E HN 0.290 nan 8.360 nan 0.000 0.491 365 L N 0.138 121.133 121.223 -0.380 0.000 2.042 365 L HA -0.212 4.129 4.340 0.001 0.000 0.210 365 L C 2.051 178.872 176.870 -0.082 0.000 1.076 365 L CA 1.079 55.814 54.840 -0.174 0.000 0.749 365 L CB -0.219 41.752 42.059 -0.147 0.000 0.893 365 L HN 0.201 nan 8.230 nan 0.000 0.432 366 L N -1.782 119.399 121.223 -0.071 0.000 2.591 366 L HA -0.005 4.335 4.340 0.001 0.000 0.228 366 L C 1.829 178.867 176.870 0.281 0.000 1.133 366 L CA 0.081 54.935 54.840 0.022 0.000 0.880 366 L CB -0.268 41.673 42.059 -0.197 0.000 1.033 366 L HN 0.160 nan 8.230 nan 0.000 0.450 367 F N 0.084 120.058 119.950 0.040 0.000 2.641 367 F HA -0.074 4.454 4.527 0.001 0.000 0.298 367 F C 1.991 177.840 175.800 0.081 0.000 1.146 367 F CA 0.296 58.351 58.000 0.091 0.000 1.464 367 F CB 0.113 39.164 39.000 0.084 0.000 1.101 367 F HN 0.207 nan 8.300 nan 0.000 0.585 368 G N -0.528 108.411 108.800 0.233 0.000 3.192 368 G HA2 0.487 4.448 3.960 0.001 0.000 0.239 368 G HA3 0.487 4.448 3.960 0.001 0.000 0.239 368 G C 0.088 175.054 174.900 0.109 0.000 1.084 368 G CA 0.384 45.570 45.100 0.144 0.000 0.784 368 G HN 0.244 nan 8.290 nan 0.000 0.540 369 A N -0.296 122.598 122.820 0.123 0.000 2.387 369 A HA 0.765 5.086 4.320 0.001 0.000 0.298 369 A C -0.496 177.164 177.584 0.126 0.000 1.165 369 A CA -0.680 51.418 52.037 0.102 0.000 0.814 369 A CB 0.968 20.019 19.000 0.085 0.000 1.357 369 A HN 0.155 nan 8.150 nan 0.000 0.443 370 Q N 0.260 120.124 119.800 0.107 0.000 2.406 370 Q HA 0.477 4.818 4.340 0.001 0.000 0.242 370 Q C -1.787 174.293 176.000 0.134 0.000 1.036 370 Q CA 0.365 56.226 55.803 0.096 0.000 0.904 370 Q CB 0.665 29.432 28.738 0.047 0.000 1.244 370 Q HN 0.469 nan 8.270 nan 0.000 0.478 371 F N 1.805 121.707 119.950 -0.080 0.000 2.574 371 F HA 0.243 4.770 4.527 0.001 0.000 0.313 371 F C -1.013 174.619 175.800 -0.280 0.000 1.130 371 F CA -0.842 57.039 58.000 -0.199 0.000 0.936 371 F CB 1.744 40.576 39.000 -0.280 0.000 1.219 371 F HN 0.247 nan 8.300 nan 0.000 0.445 372 Q N 5.677 125.034 119.800 -0.739 0.000 2.296 372 Q HA 0.143 4.483 4.340 0.001 0.000 0.257 372 Q C -1.165 174.475 176.000 -0.601 0.000 0.942 372 Q CA -0.208 55.307 55.803 -0.481 0.000 0.939 372 Q CB 0.999 29.533 28.738 -0.340 0.000 1.198 372 Q HN 0.693 nan 8.270 nan 0.000 0.429 373 Y N 3.260 123.520 120.300 -0.067 0.000 2.724 373 Y HA 0.111 4.662 4.550 0.001 0.000 0.354 373 Y C 0.807 176.686 175.900 -0.036 0.000 1.270 373 Y CA -0.258 57.858 58.100 0.027 0.000 1.902 373 Y CB -0.000 38.502 38.460 0.070 0.000 1.981 373 Y HN 0.374 nan 8.280 nan 0.000 0.428 374 R N -0.045 120.441 120.500 -0.024 0.000 2.710 374 R HA 0.681 5.022 4.340 0.001 0.000 0.270 374 R C -2.008 174.251 176.300 -0.068 0.000 1.021 374 R CA -1.071 55.013 56.100 -0.027 0.000 0.889 374 R CB 1.658 31.936 30.300 -0.036 0.000 1.243 374 R HN 0.230 nan 8.270 nan 0.000 0.464 375 N N 0.014 118.682 118.700 -0.053 0.000 2.367 375 N HA 0.394 5.135 4.740 0.001 0.000 0.278 375 N C -2.029 173.429 175.510 -0.088 0.000 1.117 375 N CA -0.770 52.246 53.050 -0.055 0.000 0.867 375 N CB 2.317 40.794 38.487 -0.017 0.000 1.649 375 N HN 0.616 nan 8.380 nan 0.000 0.479 376 R N 3.125 123.573 120.500 -0.088 0.000 2.483 376 R HA 0.505 4.846 4.340 0.001 0.000 0.303 376 R C -0.907 175.453 176.300 0.099 0.000 0.987 376 R CA -0.560 55.442 56.100 -0.163 0.000 0.881 376 R CB 0.457 30.609 30.300 -0.246 0.000 1.177 376 R HN 0.530 nan 8.270 nan 0.000 0.451 377 I N 3.344 124.151 120.570 0.396 0.000 2.618 377 I HA 0.215 4.386 4.170 0.001 0.000 0.284 377 I C 0.561 176.905 176.117 0.378 0.000 1.146 377 I CA 0.129 61.663 61.300 0.391 0.000 1.425 377 I CB 0.605 38.883 38.000 0.464 0.000 1.383 377 I HN 0.707 nan 8.210 nan 0.000 0.562 378 A N 7.036 129.967 122.820 0.186 0.000 2.325 378 A HA 0.543 4.863 4.320 0.001 0.000 0.333 378 A C 1.094 178.597 177.584 -0.135 0.000 1.155 378 A CA -0.763 51.298 52.037 0.041 0.000 0.814 378 A CB 1.213 20.177 19.000 -0.061 0.000 1.206 378 A HN 0.820 nan 8.150 nan 0.000 0.482 379 M N 0.193 119.690 119.600 -0.171 0.000 2.149 379 M HA -0.140 4.340 4.480 0.001 0.000 0.261 379 M C 1.017 177.131 176.300 -0.310 0.000 1.064 379 M CA 2.291 57.391 55.300 -0.333 0.000 1.102 379 M CB -0.861 31.628 32.600 -0.186 0.000 1.369 379 M HN 0.737 nan 8.290 nan 0.000 0.408 380 E N 0.921 120.946 120.200 -0.290 0.000 2.077 380 E HA -0.128 4.222 4.350 0.001 0.000 0.193 380 E C 1.723 178.247 176.600 -0.128 0.000 0.989 380 E CA 1.477 57.651 56.400 -0.377 0.000 0.800 380 E CB -0.422 29.079 29.700 -0.331 0.000 0.746 380 E HN 0.528 nan 8.360 nan 0.000 0.452 381 F N 1.601 121.199 119.950 -0.586 0.000 2.234 381 F HA -0.082 4.446 4.527 0.002 0.000 0.299 381 F C 1.882 177.560 175.800 -0.204 0.000 1.087 381 F CA 1.010 58.756 58.000 -0.424 0.000 1.340 381 F CB -0.325 38.275 39.000 -0.666 0.000 1.031 381 F HN 0.023 nan 8.300 nan 0.000 0.500 382 N N 0.179 118.625 118.700 -0.424 0.000 2.058 382 N HA -0.193 4.548 4.740 0.001 0.000 0.191 382 N C 1.807 177.059 175.510 -0.430 0.000 1.037 382 N CA 1.455 53.943 53.050 -0.935 0.000 0.848 382 N CB -0.168 37.813 38.487 -0.843 0.000 1.021 382 N HN 0.349 nan 8.380 nan 0.000 0.422 383 Q N 1.009 120.706 119.800 -0.170 0.000 2.061 383 Q HA -0.164 4.177 4.340 0.001 0.000 0.204 383 Q C 2.314 178.461 176.000 0.246 0.000 0.984 383 Q CA 0.937 56.746 55.803 0.009 0.000 0.846 383 Q CB -0.625 28.200 28.738 0.146 0.000 0.902 383 Q HN 0.477 nan 8.270 nan 0.000 0.421 384 L N -0.735 120.682 121.223 0.322 0.000 2.131 384 L HA -0.150 4.191 4.340 0.001 0.000 0.210 384 L C 1.751 178.773 176.870 0.254 0.000 1.092 384 L CA 1.224 56.269 54.840 0.342 0.000 0.759 384 L CB -0.194 42.078 42.059 0.355 0.000 0.903 384 L HN 0.167 nan 8.230 nan 0.000 0.435 385 Y N -0.912 119.272 120.300 -0.193 0.000 2.462 385 Y HA 0.009 4.560 4.550 0.001 0.000 0.293 385 Y C 0.134 175.696 175.900 -0.563 0.000 1.195 385 Y CA -0.560 57.136 58.100 -0.674 0.000 1.276 385 Y CB -0.024 37.927 38.460 -0.848 0.000 1.082 385 Y HN 0.253 nan 8.280 nan 0.000 0.514 386 H N -0.482 118.644 119.070 0.093 0.000 3.092 386 H HA -0.027 4.530 4.556 0.001 0.000 0.263 386 H C -0.604 175.098 175.328 0.625 0.000 1.611 386 H CA -0.038 56.178 56.048 0.280 0.000 1.457 386 H CB -0.467 29.402 29.762 0.179 0.000 1.731 386 H HN 0.296 nan 8.280 nan 0.000 0.532 387 W N 1.544 122.973 121.300 0.214 0.000 2.960 387 W HA 0.132 4.793 4.660 0.001 0.000 0.442 387 W C 0.467 177.060 176.519 0.123 0.000 0.774 387 W CA -0.840 56.637 57.345 0.220 0.000 2.207 387 W CB -0.933 28.693 29.460 0.278 0.000 1.159 387 W HN 0.734 nan 8.180 nan 0.000 0.845 388 H N 0.362 119.680 119.070 0.413 0.000 2.457 388 H HA -0.117 4.439 4.556 0.002 0.000 0.297 388 H C -0.542 174.923 175.328 0.227 0.000 1.092 388 H CA 1.591 57.811 56.048 0.286 0.000 1.309 388 H CB -1.373 28.535 29.762 0.243 0.000 1.382 388 H HN 0.009 nan 8.280 nan 0.000 0.535 389 P HA -0.126 nan 4.420 nan 0.000 0.226 389 P C 0.971 178.361 177.300 0.151 0.000 1.146 389 P CA 1.007 64.214 63.100 0.178 0.000 0.773 389 P CB -0.030 31.729 31.700 0.098 0.000 0.772 390 L N -2.707 118.618 121.223 0.170 0.000 2.201 390 L HA -0.056 4.285 4.340 0.001 0.000 0.212 390 L C 1.309 178.250 176.870 0.118 0.000 1.105 390 L CA 0.583 55.503 54.840 0.133 0.000 0.775 390 L CB -0.572 41.592 42.059 0.176 0.000 0.913 390 L HN 0.062 nan 8.230 nan 0.000 0.440 391 M N 0.588 120.278 119.600 0.149 0.000 2.217 391 M HA 0.223 4.704 4.480 0.001 0.000 0.354 391 M C -2.017 174.350 176.300 0.112 0.000 1.225 391 M CA -1.958 53.417 55.300 0.125 0.000 1.137 391 M CB 0.326 33.096 32.600 0.284 0.000 1.576 391 M HN -0.214 nan 8.290 nan 0.000 0.461 392 P HA 0.286 nan 4.420 nan 0.000 0.317 392 P C -0.019 177.172 177.300 -0.180 0.000 1.307 392 P CA -0.232 62.673 63.100 -0.324 0.000 0.749 392 P CB 0.781 32.079 31.700 -0.670 0.000 1.377 393 D N -1.773 118.435 120.400 -0.321 0.000 2.183 393 D HA 0.008 4.649 4.640 0.001 0.000 0.205 393 D C 0.979 177.270 176.300 -0.015 0.000 0.962 393 D CA 1.277 55.231 54.000 -0.077 0.000 0.849 393 D CB -0.091 40.634 40.800 -0.124 0.000 0.978 393 D HN 0.435 nan 8.370 nan 0.000 0.488 394 S N -1.320 114.182 115.700 -0.329 0.000 2.840 394 S HA 0.645 5.116 4.470 0.001 0.000 0.307 394 S C -1.343 172.817 174.600 -0.733 0.000 1.180 394 S CA -0.925 57.085 58.200 -0.316 0.000 0.846 394 S CB 1.097 64.245 63.200 -0.087 0.000 1.233 394 S HN -0.085 nan 8.310 nan 0.000 0.548 395 F N 0.483 120.344 119.950 -0.149 0.000 2.676 395 F HA 0.625 5.153 4.527 0.001 0.000 0.371 395 F C 0.894 176.683 175.800 -0.019 0.000 1.141 395 F CA -0.708 57.198 58.000 -0.157 0.000 1.133 395 F CB 1.052 39.783 39.000 -0.449 0.000 1.376 395 F HN 0.881 nan 8.300 nan 0.000 0.491 396 R N 1.639 122.166 120.500 0.045 0.000 2.288 396 R HA 0.633 4.974 4.340 0.001 0.000 0.330 396 R C -0.961 175.337 176.300 -0.004 0.000 1.069 396 R CA -0.230 55.864 56.100 -0.010 0.000 0.941 396 R CB 0.134 30.401 30.300 -0.055 0.000 0.998 396 R HN 0.422 nan 8.270 nan 0.000 0.452 397 V N 3.844 123.729 119.914 -0.048 0.000 2.326 397 V HA 0.649 4.770 4.120 0.001 0.000 0.281 397 V C 1.385 177.383 176.094 -0.160 0.000 1.015 397 V CA 0.154 62.354 62.300 -0.167 0.000 0.823 397 V CB 0.486 32.148 31.823 -0.268 0.000 1.009 397 V HN 1.524 nan 8.190 nan 0.000 0.436 398 G N 7.650 116.374 108.800 -0.127 0.000 2.614 398 G HA2 -0.234 3.727 3.960 0.001 0.000 0.303 398 G HA3 -0.234 3.727 3.960 0.001 0.000 0.303 398 G C -0.621 174.246 174.900 -0.055 0.000 1.270 398 G CA 0.440 45.502 45.100 -0.063 0.000 0.988 398 G HN 0.613 nan 8.290 nan 0.000 0.551 399 P HA 0.058 nan 4.420 nan 0.000 0.223 399 P C 0.707 177.960 177.300 -0.078 0.000 1.151 399 P CA 0.945 64.021 63.100 -0.040 0.000 0.787 399 P CB 0.046 31.737 31.700 -0.015 0.000 0.788 400 Q N 0.927 120.661 119.800 -0.111 0.000 2.352 400 Q HA 0.118 4.458 4.340 0.001 0.000 0.260 400 Q C -0.016 175.779 176.000 -0.342 0.000 0.976 400 Q CA 0.609 56.252 55.803 -0.268 0.000 0.881 400 Q CB 0.747 29.256 28.738 -0.382 0.000 1.235 400 Q HN 0.202 nan 8.270 nan 0.000 0.419 401 D N 1.846 122.025 120.400 -0.367 0.000 2.278 401 D HA 0.251 4.892 4.640 0.001 0.000 0.245 401 D C -1.344 174.768 176.300 -0.313 0.000 1.052 401 D CA -0.467 53.383 54.000 -0.250 0.000 0.834 401 D CB 0.692 41.422 40.800 -0.115 0.000 1.194 401 D HN 0.283 nan 8.370 nan 0.000 0.481 402 Y N 1.333 121.702 120.300 0.116 0.000 2.341 402 Y HA 0.196 4.747 4.550 0.001 0.000 0.338 402 Y C 1.048 177.074 175.900 0.210 0.000 0.965 402 Y CA -0.776 57.428 58.100 0.174 0.000 1.108 402 Y CB 1.787 40.381 38.460 0.224 0.000 1.180 402 Y HN 0.251 nan 8.280 nan 0.000 0.458 403 S N 1.300 117.222 115.700 0.370 0.000 2.617 403 S HA 0.095 4.566 4.470 0.001 0.000 0.259 403 S C 0.772 175.573 174.600 0.335 0.000 1.301 403 S CA -0.342 58.051 58.200 0.322 0.000 0.984 403 S CB 0.401 63.761 63.200 0.266 0.000 0.954 403 S HN 0.675 nan 8.310 nan 0.000 0.572 404 Y N 1.317 121.685 120.300 0.114 0.000 2.293 404 Y HA -0.079 4.472 4.550 0.001 0.000 0.291 404 Y C 2.633 178.517 175.900 -0.026 0.000 1.137 404 Y CA 1.631 59.727 58.100 -0.006 0.000 1.202 404 Y CB -0.064 38.045 38.460 -0.585 0.000 0.990 404 Y HN 0.727 nan 8.280 nan 0.000 0.537 405 E N -0.166 120.124 120.200 0.150 0.000 2.482 405 E HA -0.136 4.214 4.350 0.001 0.000 0.196 405 E C 1.197 177.881 176.600 0.140 0.000 1.047 405 E CA 0.716 57.204 56.400 0.146 0.000 0.869 405 E CB -0.233 29.570 29.700 0.172 0.000 0.836 405 E HN 0.613 nan 8.360 nan 0.000 0.520 406 Q N -0.967 118.928 119.800 0.159 0.000 2.392 406 Q HA 0.146 4.487 4.340 0.001 0.000 0.219 406 Q C 1.230 177.247 176.000 0.029 0.000 0.895 406 Q CA 0.084 55.967 55.803 0.134 0.000 0.929 406 Q CB 0.196 29.095 28.738 0.269 0.000 1.077 406 Q HN 0.187 nan 8.270 nan 0.000 0.532 407 F N 0.716 120.567 119.950 -0.165 0.000 2.243 407 F HA 0.128 4.656 4.527 0.001 0.000 0.287 407 F C 0.407 175.975 175.800 -0.388 0.000 1.067 407 F CA -0.037 57.741 58.000 -0.371 0.000 1.304 407 F CB 0.253 38.852 39.000 -0.669 0.000 1.087 407 F HN -0.100 nan 8.300 nan 0.000 0.513 408 L N 1.554 122.572 121.223 -0.342 0.000 2.525 408 L HA 0.000 4.341 4.340 0.001 0.000 0.278 408 L C 0.169 176.712 176.870 -0.545 0.000 1.218 408 L CA 1.093 55.545 54.840 -0.647 0.000 0.878 408 L CB -0.606 40.993 42.059 -0.766 0.000 1.127 408 L HN 0.482 nan 8.230 nan 0.000 0.492 409 F N -0.424 119.426 119.950 -0.168 0.000 2.778 409 F HA -0.342 4.186 4.527 0.001 0.000 0.399 409 F C 1.154 176.889 175.800 -0.109 0.000 0.604 409 F CA 0.650 58.589 58.000 -0.102 0.000 1.106 409 F CB -1.267 37.717 39.000 -0.026 0.000 1.643 409 F HN 0.711 nan 8.300 nan 0.000 0.290 410 N N 1.999 120.643 118.700 -0.094 0.000 2.440 410 N HA 0.045 4.786 4.740 0.001 0.000 0.265 410 N C 1.018 176.462 175.510 -0.109 0.000 1.239 410 N CA 1.262 54.246 53.050 -0.110 0.000 0.909 410 N CB 1.143 39.507 38.487 -0.206 0.000 1.066 410 N HN 0.350 nan 8.380 nan 0.000 0.474 411 T N -0.816 113.714 114.554 -0.039 0.000 3.040 411 T HA 0.014 4.365 4.350 0.001 0.000 0.250 411 T C 1.501 176.155 174.700 -0.077 0.000 1.058 411 T CA 0.535 62.624 62.100 -0.018 0.000 0.988 411 T CB -0.118 68.767 68.868 0.027 0.000 0.993 411 T HN 0.442 nan 8.240 nan 0.000 0.519 412 S N 0.606 116.249 115.700 -0.096 0.000 2.497 412 S HA 0.230 4.701 4.470 0.001 0.000 0.218 412 S C 1.974 176.501 174.600 -0.120 0.000 1.023 412 S CA -0.015 58.116 58.200 -0.115 0.000 0.913 412 S CB -0.410 62.731 63.200 -0.099 0.000 0.800 412 S HN 0.328 nan 8.310 nan 0.000 0.505 413 M N 1.122 120.654 119.600 -0.113 0.000 2.089 413 M HA -0.120 4.361 4.480 0.001 0.000 0.257 413 M C 2.050 178.367 176.300 0.027 0.000 1.071 413 M CA 1.774 57.045 55.300 -0.047 0.000 1.096 413 M CB -0.363 32.169 32.600 -0.112 0.000 1.330 413 M HN 0.450 nan 8.290 nan 0.000 0.403 414 L N -0.134 121.063 121.223 -0.043 0.000 2.012 414 L HA -0.139 4.202 4.340 0.001 0.000 0.210 414 L C 2.013 178.857 176.870 -0.043 0.000 1.073 414 L CA 1.667 56.502 54.840 -0.009 0.000 0.748 414 L CB -0.593 41.444 42.059 -0.035 0.000 0.891 414 L HN 0.207 nan 8.230 nan 0.000 0.431 415 V N -0.456 119.328 119.914 -0.217 0.000 2.871 415 V HA -0.157 3.964 4.120 0.001 0.000 0.256 415 V C 2.063 178.077 176.094 -0.133 0.000 1.082 415 V CA 1.365 63.466 62.300 -0.333 0.000 1.105 415 V CB -0.738 30.807 31.823 -0.463 0.000 0.713 415 V HN 0.414 nan 8.190 nan 0.000 0.473 416 D N -0.487 119.838 120.400 -0.124 0.000 2.084 416 D HA -0.130 4.511 4.640 0.001 0.000 0.196 416 D C 2.010 178.188 176.300 -0.205 0.000 0.985 416 D CA 1.696 55.582 54.000 -0.191 0.000 0.826 416 D CB -0.186 40.446 40.800 -0.280 0.000 0.978 416 D HN 0.534 nan 8.370 nan 0.000 0.456 417 Y N 0.024 120.319 120.300 -0.009 0.000 2.301 417 Y HA 0.283 4.834 4.550 0.002 0.000 0.295 417 Y C 1.555 177.469 175.900 0.023 0.000 1.119 417 Y CA 0.747 58.850 58.100 0.005 0.000 1.162 417 Y CB 0.326 38.779 38.460 -0.011 0.000 1.046 417 Y HN 0.048 nan 8.280 nan 0.000 0.538 418 G N -0.480 108.446 108.800 0.210 0.000 2.663 418 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 418 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 418 G C 0.326 175.298 174.900 0.120 0.000 1.288 418 G CA -0.503 44.714 45.100 0.196 0.000 0.836 418 G HN -0.004 nan 8.290 nan 0.000 0.584 419 V N 0.764 120.718 119.914 0.065 0.000 2.261 419 V HA -0.149 3.972 4.120 0.001 0.000 0.246 419 V C 2.743 178.810 176.094 -0.045 0.000 1.047 419 V CA 3.160 65.451 62.300 -0.015 0.000 1.015 419 V CB -0.925 30.849 31.823 -0.082 0.000 0.642 419 V HN 0.849 nan 8.190 nan 0.000 0.446 420 E N 0.781 120.957 120.200 -0.039 0.000 2.065 420 E HA -0.262 4.088 4.350 0.001 0.000 0.201 420 E C 2.225 178.800 176.600 -0.043 0.000 1.016 420 E CA 1.918 58.292 56.400 -0.043 0.000 0.818 420 E CB -0.668 29.016 29.700 -0.027 0.000 0.749 420 E HN 0.589 nan 8.360 nan 0.000 0.453 421 A N 0.158 122.968 122.820 -0.017 0.000 1.969 421 A HA -0.100 4.221 4.320 0.001 0.000 0.218 421 A C 2.172 179.655 177.584 -0.168 0.000 1.169 421 A CA 1.042 53.058 52.037 -0.035 0.000 0.635 421 A CB -0.427 18.622 19.000 0.083 0.000 0.810 421 A HN 0.180 nan 8.150 nan 0.000 0.445 422 L N -0.924 120.183 121.223 -0.193 0.000 2.162 422 L HA -0.066 4.275 4.340 0.001 0.000 0.205 422 L C 2.429 179.034 176.870 -0.442 0.000 1.086 422 L CA 0.544 55.120 54.840 -0.440 0.000 0.778 422 L CB -0.293 41.588 42.059 -0.297 0.000 0.928 422 L HN 0.221 nan 8.230 nan 0.000 0.446 423 V N -0.239 119.583 119.914 -0.153 0.000 2.407 423 V HA -0.309 3.812 4.120 0.001 0.000 0.248 423 V C 2.234 178.322 176.094 -0.010 0.000 1.055 423 V CA 1.926 64.208 62.300 -0.030 0.000 1.049 423 V CB -0.440 31.339 31.823 -0.073 0.000 0.662 423 V HN 0.504 nan 8.190 nan 0.000 0.455 424 D N 0.146 120.514 120.400 -0.053 0.000 2.144 424 D HA -0.119 4.522 4.640 0.001 0.000 0.200 424 D C 2.141 178.439 176.300 -0.003 0.000 0.978 424 D CA 1.499 55.504 54.000 0.008 0.000 0.833 424 D CB 0.257 41.052 40.800 -0.009 0.000 0.961 424 D HN 0.425 nan 8.370 nan 0.000 0.470 425 A N -0.333 122.397 122.820 -0.150 0.000 2.014 425 A HA -0.077 4.244 4.320 0.001 0.000 0.218 425 A C 1.754 179.340 177.584 0.003 0.000 1.163 425 A CA 0.653 52.586 52.037 -0.173 0.000 0.652 425 A CB -0.562 18.208 19.000 -0.384 0.000 0.808 425 A HN 0.167 nan 8.150 nan 0.000 0.449 426 F N 0.185 120.216 119.950 0.134 0.000 2.473 426 F HA 0.071 4.598 4.527 0.001 0.000 0.294 426 F C 2.420 178.336 175.800 0.193 0.000 1.103 426 F CA 0.695 58.820 58.000 0.209 0.000 1.442 426 F CB -0.641 38.559 39.000 0.332 0.000 1.097 426 F HN 0.098 nan 8.300 nan 0.000 0.547 427 S N -0.442 115.463 115.700 0.342 0.000 2.489 427 S HA -0.015 4.456 4.470 0.001 0.000 0.228 427 S C 1.971 176.765 174.600 0.323 0.000 0.995 427 S CA 0.511 58.895 58.200 0.307 0.000 0.934 427 S CB -0.035 63.303 63.200 0.229 0.000 0.771 427 S HN 0.336 nan 8.310 nan 0.000 0.522 428 R N 0.615 121.245 120.500 0.216 0.000 2.175 428 R HA 0.197 4.538 4.340 0.001 0.000 0.202 428 R C 1.047 177.394 176.300 0.078 0.000 1.018 428 R CA 0.123 56.276 56.100 0.090 0.000 1.029 428 R CB 0.151 30.458 30.300 0.012 0.000 0.959 428 R HN 0.329 nan 8.270 nan 0.000 0.480 429 Q N 2.046 121.915 119.800 0.115 0.000 2.304 429 Q HA 0.171 4.512 4.340 0.001 0.000 0.260 429 Q C -2.399 173.654 176.000 0.089 0.000 0.965 429 Q CA -2.175 53.673 55.803 0.077 0.000 0.898 429 Q CB 1.163 29.948 28.738 0.079 0.000 1.196 429 Q HN -0.124 nan 8.270 nan 0.000 0.402 430 P HA 0.129 nan 4.420 nan 0.000 0.274 430 P C -1.568 175.824 177.300 0.153 0.000 1.237 430 P CA -0.151 63.020 63.100 0.119 0.000 0.793 430 P CB 0.998 32.796 31.700 0.164 0.000 0.977 431 A N 1.738 124.641 122.820 0.138 0.000 2.311 431 A HA 0.712 5.033 4.320 0.001 0.000 0.334 431 A C 0.479 178.154 177.584 0.152 0.000 1.139 431 A CA -0.393 51.728 52.037 0.141 0.000 0.830 431 A CB 0.418 19.451 19.000 0.054 0.000 1.234 431 A HN 0.568 nan 8.150 nan 0.000 0.483 432 G N 0.030 108.933 108.800 0.172 0.000 2.569 432 G HA2 0.415 4.376 3.960 0.001 0.000 0.249 432 G HA3 0.415 4.376 3.960 0.001 0.000 0.249 432 G C 0.179 174.980 174.900 -0.165 0.000 1.216 432 G CA -0.537 44.519 45.100 -0.073 0.000 0.845 432 G HN 0.787 nan 8.290 nan 0.000 0.568 433 R N 1.498 121.842 120.500 -0.259 0.000 2.347 433 R HA 0.165 4.506 4.340 0.001 0.000 0.304 433 R C 1.071 177.265 176.300 -0.177 0.000 1.072 433 R CA -0.407 55.549 56.100 -0.239 0.000 0.980 433 R CB 0.422 30.576 30.300 -0.243 0.000 0.986 433 R HN 0.560 nan 8.270 nan 0.000 0.448 434 I N 3.003 123.456 120.570 -0.195 0.000 2.193 434 I HA -0.097 4.074 4.170 0.001 0.000 0.240 434 I C 1.636 177.702 176.117 -0.085 0.000 1.084 434 I CA 1.281 62.507 61.300 -0.123 0.000 1.365 434 I CB -0.445 37.443 38.000 -0.187 0.000 1.064 434 I HN 0.684 nan 8.210 nan 0.000 0.410 435 G N -1.049 107.707 108.800 -0.074 0.000 2.535 435 G HA2 0.415 4.376 3.960 0.001 0.000 0.282 435 G HA3 0.415 4.376 3.960 0.001 0.000 0.282 435 G C 0.867 175.706 174.900 -0.101 0.000 1.350 435 G CA 0.224 45.278 45.100 -0.077 0.000 1.039 435 G HN 0.532 nan 8.290 nan 0.000 0.509 436 G N -1.787 106.951 108.800 -0.104 0.000 3.206 436 G HA2 0.363 4.324 3.960 0.001 0.000 0.217 436 G HA3 0.363 4.324 3.960 0.001 0.000 0.217 436 G C 1.162 176.014 174.900 -0.080 0.000 1.350 436 G CA 0.981 46.025 45.100 -0.094 0.000 0.836 436 G HN 2.835 nan 8.290 nan 0.000 0.548 437 G N -2.306 106.451 108.800 -0.071 0.000 2.357 437 G HA2 0.554 4.515 3.960 0.001 0.000 0.643 437 G HA3 0.554 4.515 3.960 0.001 0.000 0.643 437 G C 0.683 175.572 174.900 -0.019 0.000 1.358 437 G CA 1.605 46.683 45.100 -0.037 0.000 0.986 437 G HN 2.764 nan 8.290 nan 0.000 0.620 438 R N -1.039 119.470 120.500 0.014 0.000 3.225 438 R HA -0.234 4.107 4.340 0.001 0.000 0.245 438 R C 0.706 177.008 176.300 0.003 0.000 0.928 438 R CA 2.288 58.396 56.100 0.013 0.000 0.632 438 R CB -2.258 28.045 30.300 0.006 0.000 1.038 438 R HN 2.088 nan 8.270 nan 0.000 0.461 439 N N -0.765 117.941 118.700 0.010 0.000 2.240 439 N HA 0.284 5.025 4.740 0.001 0.000 0.240 439 N C -0.677 174.874 175.510 0.067 0.000 1.277 439 N CA -0.054 53.004 53.050 0.013 0.000 0.873 439 N CB 0.567 39.027 38.487 -0.045 0.000 1.222 439 N HN 0.692 nan 8.380 nan 0.000 0.507 440 I N 1.005 121.622 120.570 0.077 0.000 2.304 440 I HA 0.162 4.333 4.170 0.001 0.000 0.291 440 I C 0.133 176.291 176.117 0.069 0.000 1.018 440 I CA -0.871 60.491 61.300 0.103 0.000 1.260 440 I CB 0.912 38.977 38.000 0.107 0.000 1.390 440 I HN -0.004 nan 8.210 nan 0.000 0.475 441 D N 4.390 124.826 120.400 0.061 0.000 2.525 441 D HA -0.120 4.521 4.640 0.001 0.000 0.235 441 D C 1.515 177.723 176.300 -0.153 0.000 1.137 441 D CA 0.419 54.384 54.000 -0.057 0.000 0.868 441 D CB 0.703 41.446 40.800 -0.095 0.000 1.180 441 D HN 0.613 nan 8.370 nan 0.000 0.465 442 H N 1.716 120.707 119.070 -0.132 0.000 2.460 442 H HA -0.159 4.398 4.556 0.002 0.000 0.297 442 H C 1.285 176.526 175.328 -0.145 0.000 1.103 442 H CA 2.049 58.006 56.048 -0.151 0.000 1.292 442 H CB -0.535 29.107 29.762 -0.200 0.000 1.376 442 H HN 0.663 nan 8.280 nan 0.000 0.531 443 H N 0.431 119.197 119.070 -0.508 0.000 2.421 443 H HA -0.010 4.547 4.556 0.001 0.000 0.298 443 H C 1.474 176.827 175.328 0.041 0.000 1.087 443 H CA 1.711 57.599 56.048 -0.267 0.000 1.330 443 H CB 0.099 29.434 29.762 -0.712 0.000 1.388 443 H HN 0.698 nan 8.280 nan 0.000 0.526 444 I N -2.193 118.416 120.570 0.064 0.000 3.833 444 I HA 0.146 4.317 4.170 0.001 0.000 0.328 444 I C 0.930 176.888 176.117 -0.265 0.000 1.554 444 I CA -0.105 61.152 61.300 -0.071 0.000 1.116 444 I CB 0.416 38.463 38.000 0.077 0.000 1.182 444 I HN 0.029 nan 8.210 nan 0.000 0.459 445 L N 2.315 123.495 121.223 -0.072 0.000 2.141 445 L HA -0.155 4.186 4.340 0.001 0.000 0.209 445 L C 2.579 179.399 176.870 -0.083 0.000 1.094 445 L CA 2.391 57.205 54.840 -0.044 0.000 0.763 445 L CB -0.862 41.224 42.059 0.044 0.000 0.908 445 L HN 0.631 nan 8.230 nan 0.000 0.437 446 H N -3.223 115.859 119.070 0.019 0.000 2.460 446 H HA -0.133 4.424 4.556 0.002 0.000 0.297 446 H C 1.828 177.143 175.328 -0.021 0.000 1.103 446 H CA 1.528 57.584 56.048 0.012 0.000 1.292 446 H CB -1.251 28.531 29.762 0.033 0.000 1.376 446 H HN 0.198 nan 8.280 nan 0.000 0.531 447 V N 1.302 120.918 119.914 -0.496 0.000 2.261 447 V HA -0.257 3.864 4.120 0.001 0.000 0.246 447 V C 2.908 178.850 176.094 -0.253 0.000 1.047 447 V CA 1.796 63.883 62.300 -0.355 0.000 1.015 447 V CB -1.267 30.197 31.823 -0.599 0.000 0.642 447 V HN 0.767 nan 8.190 nan 0.000 0.446 448 A N -0.038 122.657 122.820 -0.208 0.000 1.940 448 A HA -0.161 4.160 4.320 0.001 0.000 0.219 448 A C 2.379 179.954 177.584 -0.015 0.000 1.176 448 A CA 2.107 54.119 52.037 -0.042 0.000 0.631 448 A CB -0.708 18.374 19.000 0.136 0.000 0.814 448 A HN 0.362 nan 8.150 nan 0.000 0.446 449 V N 0.553 120.463 119.914 -0.006 0.000 2.295 449 V HA -0.256 3.865 4.120 0.001 0.000 0.246 449 V C 2.140 178.230 176.094 -0.006 0.000 1.049 449 V CA 2.302 64.615 62.300 0.023 0.000 1.024 449 V CB -0.803 31.048 31.823 0.047 0.000 0.648 449 V HN 0.486 nan 8.190 nan 0.000 0.447 450 D N -0.047 120.335 120.400 -0.030 0.000 2.178 450 D HA -0.092 4.549 4.640 0.001 0.000 0.202 450 D C 2.187 178.417 176.300 -0.117 0.000 0.974 450 D CA 1.019 54.994 54.000 -0.042 0.000 0.841 450 D CB -0.150 40.644 40.800 -0.010 0.000 0.953 450 D HN 0.322 nan 8.370 nan 0.000 0.478 451 V N 1.331 121.102 119.914 -0.239 0.000 2.287 451 V HA -0.238 3.883 4.120 0.001 0.000 0.248 451 V C 2.512 178.466 176.094 -0.234 0.000 1.053 451 V CA 1.227 63.269 62.300 -0.428 0.000 1.027 451 V CB -0.371 30.908 31.823 -0.908 0.000 0.646 451 V HN 0.184 nan 8.190 nan 0.000 0.447 452 I N -0.642 119.875 120.570 -0.089 0.000 2.226 452 I HA -0.236 3.935 4.170 0.001 0.000 0.245 452 I C 2.556 178.689 176.117 0.027 0.000 1.100 452 I CA 1.561 62.884 61.300 0.038 0.000 1.374 452 I CB -0.487 37.576 38.000 0.106 0.000 1.057 452 I HN 0.239 nan 8.210 nan 0.000 0.413 453 K N 0.591 120.993 120.400 0.004 0.000 2.032 453 K HA -0.251 4.070 4.320 0.001 0.000 0.209 453 K C 2.149 178.751 176.600 0.004 0.000 1.048 453 K CA 1.680 57.974 56.287 0.011 0.000 0.927 453 K CB -0.222 32.282 32.500 0.008 0.000 0.712 453 K HN 0.313 nan 8.250 nan 0.000 0.441 454 E N 0.547 120.731 120.200 -0.027 0.000 2.110 454 E HA -0.146 4.205 4.350 0.001 0.000 0.193 454 E C 1.485 178.075 176.600 -0.017 0.000 0.988 454 E CA 0.766 57.150 56.400 -0.028 0.000 0.804 454 E CB 0.031 29.691 29.700 -0.067 0.000 0.745 454 E HN 0.074 nan 8.360 nan 0.000 0.458 455 S N -0.488 115.203 115.700 -0.016 0.000 2.803 455 S HA 0.013 4.484 4.470 0.001 0.000 0.226 455 S C 1.149 175.787 174.600 0.064 0.000 0.962 455 S CA 0.261 58.477 58.200 0.026 0.000 0.968 455 S CB -0.129 63.112 63.200 0.069 0.000 0.786 455 S HN 0.211 nan 8.310 nan 0.000 0.527 456 R N -1.304 119.227 120.500 0.051 0.000 2.573 456 R HA 0.233 4.574 4.340 0.001 0.000 0.224 456 R C 1.623 177.953 176.300 0.051 0.000 0.904 456 R CA 0.465 56.603 56.100 0.063 0.000 0.995 456 R CB 0.098 30.437 30.300 0.064 0.000 1.430 456 R HN 0.291 nan 8.270 nan 0.000 0.631 457 V N 1.140 121.078 119.914 0.040 0.000 2.453 457 V HA -0.127 3.994 4.120 0.001 0.000 0.247 457 V C 1.635 177.753 176.094 0.040 0.000 1.048 457 V CA 1.343 63.667 62.300 0.040 0.000 1.049 457 V CB -0.123 31.723 31.823 0.039 0.000 0.672 457 V HN 0.143 nan 8.190 nan 0.000 0.457 458 L N -0.527 120.716 121.223 0.032 0.000 2.554 458 L HA 0.204 4.545 4.340 0.001 0.000 0.226 458 L C 1.257 178.150 176.870 0.038 0.000 1.137 458 L CA 0.695 55.550 54.840 0.026 0.000 0.863 458 L CB -1.192 40.870 42.059 0.004 0.000 0.985 458 L HN 0.316 nan 8.230 nan 0.000 0.451 459 R N -0.494 120.038 120.500 0.053 0.000 3.188 459 R HA -0.212 4.129 4.340 0.001 0.000 0.247 459 R C -0.406 175.947 176.300 0.088 0.000 0.918 459 R CA 0.017 56.160 56.100 0.072 0.000 0.629 459 R CB -1.731 28.607 30.300 0.063 0.000 1.087 459 R HN 0.071 nan 8.270 nan 0.000 0.462 460 L N 1.430 122.710 121.223 0.096 0.000 2.455 460 L HA 0.013 4.354 4.340 0.001 0.000 0.272 460 L C 1.290 178.283 176.870 0.205 0.000 1.174 460 L CA 0.912 55.833 54.840 0.136 0.000 0.869 460 L CB 0.697 42.795 42.059 0.066 0.000 1.130 460 L HN 0.265 nan 8.230 nan 0.000 0.474 461 Q N 5.267 125.196 119.800 0.215 0.000 2.524 461 Q HA 0.115 4.455 4.340 0.001 0.000 0.246 461 Q C -2.007 174.130 176.000 0.228 0.000 1.063 461 Q CA -1.451 54.401 55.803 0.082 0.000 0.945 461 Q CB 0.127 28.682 28.738 -0.304 0.000 1.292 461 Q HN 0.396 nan 8.270 nan 0.000 0.518 462 P HA -0.088 nan 4.420 nan 0.000 0.271 462 P C 0.067 177.558 177.300 0.318 0.000 1.218 462 P CA 0.020 63.251 63.100 0.218 0.000 0.780 462 P CB 0.426 32.208 31.700 0.137 0.000 0.901 463 F N 3.280 123.362 119.950 0.220 0.000 2.082 463 F HA -0.328 4.200 4.527 0.002 0.000 0.298 463 F C 1.845 177.755 175.800 0.183 0.000 1.091 463 F CA 2.152 60.297 58.000 0.243 0.000 1.230 463 F CB -0.976 38.062 39.000 0.064 0.000 0.983 463 F HN 0.276 nan 8.300 nan 0.000 0.485 464 N N 0.303 119.053 118.700 0.082 0.000 2.289 464 N HA -0.149 4.592 4.740 0.001 0.000 0.184 464 N C 1.739 177.171 175.510 -0.131 0.000 1.016 464 N CA 1.168 54.174 53.050 -0.072 0.000 0.872 464 N CB -0.332 38.144 38.487 -0.018 0.000 0.973 464 N HN 0.402 nan 8.380 nan 0.000 0.433 465 E N -0.354 119.760 120.200 -0.143 0.000 2.072 465 E HA -0.086 4.265 4.350 0.001 0.000 0.190 465 E C 1.692 178.129 176.600 -0.271 0.000 0.982 465 E CA 0.708 56.930 56.400 -0.296 0.000 0.803 465 E CB -0.401 28.961 29.700 -0.563 0.000 0.755 465 E HN 0.498 nan 8.360 nan 0.000 0.453 466 Y N 1.175 121.428 120.300 -0.078 0.000 2.242 466 Y HA -0.110 4.441 4.550 0.001 0.000 0.291 466 Y C 2.423 178.325 175.900 0.003 0.000 1.137 466 Y CA 0.942 59.077 58.100 0.058 0.000 1.181 466 Y CB -0.043 38.563 38.460 0.244 0.000 0.989 466 Y HN -0.056 nan 8.280 nan 0.000 0.527 467 R N 0.700 121.143 120.500 -0.096 0.000 2.113 467 R HA -0.204 4.137 4.340 0.001 0.000 0.244 467 R C 1.964 178.214 176.300 -0.083 0.000 1.142 467 R CA 1.700 57.687 56.100 -0.188 0.000 0.953 467 R CB -0.605 29.490 30.300 -0.342 0.000 0.860 467 R HN 0.398 nan 8.270 nan 0.000 0.438 468 K N -0.091 120.240 120.400 -0.115 0.000 2.097 468 K HA -0.115 4.206 4.320 0.001 0.000 0.205 468 K C 2.178 178.716 176.600 -0.103 0.000 1.050 468 K CA 0.855 57.069 56.287 -0.121 0.000 0.938 468 K CB -0.134 32.258 32.500 -0.180 0.000 0.718 468 K HN -0.101 nan 8.250 nan 0.000 0.442 469 R N 0.836 121.269 120.500 -0.112 0.000 2.096 469 R HA -0.069 4.272 4.340 0.001 0.000 0.235 469 R C 0.923 177.055 176.300 -0.280 0.000 1.127 469 R CA 1.452 57.430 56.100 -0.204 0.000 0.968 469 R CB -0.364 29.783 30.300 -0.256 0.000 0.861 469 R HN 0.072 nan 8.270 nan 0.000 0.440 470 F N -0.023 119.909 119.950 -0.031 0.000 2.713 470 F HA 0.321 4.849 4.527 0.002 0.000 0.294 470 F C 1.184 176.964 175.800 -0.033 0.000 1.152 470 F CA 0.335 58.315 58.000 -0.033 0.000 1.385 470 F CB 0.437 39.423 39.000 -0.024 0.000 0.981 470 F HN 0.281 nan 8.300 nan 0.000 0.514 471 G N 1.112 109.950 108.800 0.064 0.000 2.246 471 G HA2 -0.312 3.649 3.960 0.001 0.000 0.273 471 G HA3 -0.312 3.649 3.960 0.001 0.000 0.273 471 G C -0.094 174.828 174.900 0.036 0.000 1.055 471 G CA 0.005 45.136 45.100 0.052 0.000 0.851 471 G HN 0.351 nan 8.290 nan 0.000 0.500 472 M N -1.030 118.568 119.600 -0.004 0.000 2.662 472 M HA 0.478 4.959 4.480 0.001 0.000 0.310 472 M C 0.436 176.668 176.300 -0.113 0.000 1.204 472 M CA -0.853 54.410 55.300 -0.062 0.000 0.891 472 M CB 1.841 34.377 32.600 -0.108 0.000 1.732 472 M HN 0.029 nan 8.290 nan 0.000 0.467 473 K N 2.504 122.818 120.400 -0.144 0.000 2.298 473 K HA 0.303 4.624 4.320 0.001 0.000 0.280 473 K C -2.319 174.115 176.600 -0.277 0.000 1.032 473 K CA -1.400 54.789 56.287 -0.164 0.000 0.958 473 K CB 0.197 32.619 32.500 -0.129 0.000 0.978 473 K HN 0.277 nan 8.250 nan 0.000 0.472 474 P HA -0.038 nan 4.420 nan 0.000 0.271 474 P C -0.937 176.233 177.300 -0.217 0.000 1.218 474 P CA 0.122 63.086 63.100 -0.226 0.000 0.780 474 P CB 0.368 31.995 31.700 -0.122 0.000 0.901 475 Y N 0.311 120.570 120.300 -0.068 0.000 2.411 475 Y HA 0.051 4.602 4.550 0.002 0.000 0.333 475 Y C 2.197 178.039 175.900 -0.096 0.000 1.186 475 Y CA 0.273 58.328 58.100 -0.076 0.000 1.381 475 Y CB 0.573 38.981 38.460 -0.087 0.000 1.273 475 Y HN 0.399 nan 8.280 nan 0.000 0.546 476 T N -2.733 111.884 114.554 0.106 0.000 3.037 476 T HA 0.140 4.490 4.350 0.001 0.000 0.251 476 T C 0.302 175.001 174.700 -0.002 0.000 1.079 476 T CA 0.364 62.483 62.100 0.032 0.000 1.067 476 T CB -0.013 68.876 68.868 0.035 0.000 0.948 476 T HN 0.494 nan 8.240 nan 0.000 0.496 477 S N -0.909 114.777 115.700 -0.023 0.000 2.607 477 S HA 0.620 5.090 4.470 0.001 0.000 0.273 477 S C -0.159 174.342 174.600 -0.165 0.000 1.148 477 S CA -0.944 57.227 58.200 -0.048 0.000 0.833 477 S CB 0.589 63.808 63.200 0.032 0.000 1.130 477 S HN -0.048 nan 8.310 nan 0.000 0.470 478 F N 0.929 120.843 119.950 -0.061 0.000 2.325 478 F HA 0.046 4.574 4.527 0.002 0.000 0.299 478 F C 2.695 178.410 175.800 -0.142 0.000 1.090 478 F CA 0.994 58.919 58.000 -0.124 0.000 1.392 478 F CB -0.387 38.553 39.000 -0.099 0.000 1.053 478 F HN 0.557 nan 8.300 nan 0.000 0.521 479 Q N 0.357 120.204 119.800 0.078 0.000 2.030 479 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 479 Q C 2.214 178.180 176.000 -0.056 0.000 0.986 479 Q CA 1.869 57.680 55.803 0.012 0.000 0.843 479 Q CB -0.422 28.333 28.738 0.027 0.000 0.904 479 Q HN 0.381 nan 8.270 nan 0.000 0.420 480 E N -0.251 119.909 120.200 -0.067 0.000 2.209 480 E HA -0.207 4.144 4.350 0.001 0.000 0.196 480 E C 1.805 178.209 176.600 -0.327 0.000 0.993 480 E CA 0.792 57.143 56.400 -0.080 0.000 0.819 480 E CB -0.029 29.703 29.700 0.054 0.000 0.745 480 E HN 0.247 nan 8.360 nan 0.000 0.477 481 L N 0.374 121.261 121.223 -0.561 0.000 2.005 481 L HA -0.131 4.210 4.340 0.001 0.000 0.207 481 L C 2.518 179.119 176.870 -0.448 0.000 1.072 481 L CA 2.423 56.726 54.840 -0.894 0.000 0.744 481 L CB -0.580 41.045 42.059 -0.723 0.000 0.895 481 L HN 0.154 nan 8.230 nan 0.000 0.433 482 T N -4.360 110.045 114.554 -0.249 0.000 3.051 482 T HA 0.273 4.624 4.350 0.001 0.000 0.255 482 T C 1.605 176.240 174.700 -0.109 0.000 1.085 482 T CA 0.464 62.470 62.100 -0.157 0.000 1.109 482 T CB -0.103 68.706 68.868 -0.099 0.000 0.921 482 T HN 0.671 nan 8.240 nan 0.000 0.488 483 G N 1.745 110.489 108.800 -0.094 0.000 2.184 483 G HA2 -0.239 3.722 3.960 0.001 0.000 0.264 483 G HA3 -0.239 3.722 3.960 0.001 0.000 0.264 483 G C -0.065 174.816 174.900 -0.032 0.000 0.975 483 G CA 0.655 45.724 45.100 -0.053 0.000 0.642 483 G HN 0.976 nan 8.290 nan 0.000 0.536 484 E N -2.019 118.162 120.200 -0.032 0.000 2.447 484 E HA 0.896 5.247 4.350 0.001 0.000 0.251 484 E C 0.942 177.538 176.600 -0.006 0.000 0.910 484 E CA 0.143 56.534 56.400 -0.016 0.000 0.841 484 E CB 0.170 29.861 29.700 -0.015 0.000 1.403 484 E HN 0.624 nan 8.360 nan 0.000 0.400 485 K N -0.747 119.653 120.400 0.001 0.000 2.380 485 K HA 0.330 4.651 4.320 0.001 0.000 0.200 485 K C 2.055 178.661 176.600 0.011 0.000 1.201 485 K CA 1.069 57.361 56.287 0.008 0.000 0.916 485 K CB -1.335 31.169 32.500 0.007 0.000 1.187 485 K HN 0.528 nan 8.250 nan 0.000 0.498 486 E N 0.124 120.332 120.200 0.012 0.000 1.998 486 E HA 0.022 4.373 4.350 0.001 0.000 0.196 486 E C 2.543 179.169 176.600 0.042 0.000 1.003 486 E CA 2.935 59.347 56.400 0.020 0.000 0.829 486 E CB -1.376 28.334 29.700 0.016 0.000 0.777 486 E HN 0.946 nan 8.360 nan 0.000 0.460 487 M N 0.713 120.352 119.600 0.065 0.000 2.346 487 M HA 0.432 4.913 4.480 0.001 0.000 0.263 487 M C 2.701 179.029 176.300 0.048 0.000 1.064 487 M CA 2.516 57.902 55.300 0.144 0.000 1.083 487 M CB -1.515 31.181 32.600 0.161 0.000 1.399 487 M HN 0.851 nan 8.290 nan 0.000 0.435 488 A N 0.301 123.120 122.820 -0.003 0.000 1.854 488 A HA 0.326 4.647 4.320 0.001 0.000 0.214 488 A C 2.722 180.244 177.584 -0.104 0.000 1.192 488 A CA 2.011 54.029 52.037 -0.032 0.000 0.611 488 A CB -1.269 17.752 19.000 0.035 0.000 0.832 488 A HN 1.302 nan 8.150 nan 0.000 0.442 489 A N -0.549 122.246 122.820 -0.043 0.000 1.978 489 A HA -0.201 4.120 4.320 0.001 0.000 0.220 489 A C 2.006 179.540 177.584 -0.084 0.000 1.170 489 A CA 1.814 53.819 52.037 -0.053 0.000 0.636 489 A CB -0.482 18.512 19.000 -0.011 0.000 0.810 489 A HN 0.657 nan 8.150 nan 0.000 0.448 490 E N -0.400 119.780 120.200 -0.032 0.000 2.107 490 E HA -0.079 4.272 4.350 0.001 0.000 0.191 490 E C 1.870 178.436 176.600 -0.055 0.000 0.982 490 E CA 0.656 57.071 56.400 0.025 0.000 0.809 490 E CB -0.123 29.681 29.700 0.174 0.000 0.756 490 E HN 0.658 nan 8.360 nan 0.000 0.459 491 L N 0.981 122.052 121.223 -0.253 0.000 2.141 491 L HA -0.142 4.199 4.340 0.001 0.000 0.209 491 L C 2.661 179.010 176.870 -0.869 0.000 1.094 491 L CA 0.837 55.348 54.840 -0.547 0.000 0.763 491 L CB -0.273 41.341 42.059 -0.741 0.000 0.908 491 L HN 0.153 nan 8.230 nan 0.000 0.437 492 E N 0.330 119.981 120.200 -0.915 0.000 2.077 492 E HA -0.266 4.085 4.350 0.001 0.000 0.193 492 E C 1.991 178.461 176.600 -0.218 0.000 0.989 492 E CA 1.255 57.267 56.400 -0.647 0.000 0.800 492 E CB 0.123 29.683 29.700 -0.234 0.000 0.746 492 E HN 0.472 nan 8.360 nan 0.000 0.452 493 E N 0.162 120.270 120.200 -0.154 0.000 2.072 493 E HA -0.140 4.211 4.350 0.001 0.000 0.191 493 E C 2.448 179.015 176.600 -0.055 0.000 0.985 493 E CA 0.536 56.898 56.400 -0.064 0.000 0.801 493 E CB 0.037 29.710 29.700 -0.044 0.000 0.750 493 E HN 0.233 nan 8.360 nan 0.000 0.452 494 L N -0.600 120.570 121.223 -0.089 0.000 2.005 494 L HA -0.173 4.168 4.340 0.001 0.000 0.207 494 L C 2.322 179.120 176.870 -0.120 0.000 1.072 494 L CA 1.278 56.049 54.840 -0.114 0.000 0.744 494 L CB -0.470 41.500 42.059 -0.149 0.000 0.895 494 L HN 0.171 nan 8.230 nan 0.000 0.433 495 Y N -0.516 119.748 120.300 -0.059 0.000 2.475 495 Y HA 0.009 4.560 4.550 0.002 0.000 0.289 495 Y C 2.070 178.031 175.900 0.101 0.000 1.121 495 Y CA 0.763 58.897 58.100 0.056 0.000 1.257 495 Y CB 0.222 38.791 38.460 0.181 0.000 1.026 495 Y HN 0.335 nan 8.280 nan 0.000 0.555 496 G N -0.339 108.587 108.800 0.210 0.000 2.435 496 G HA2 -0.314 3.647 3.960 0.001 0.000 0.245 496 G HA3 -0.314 3.647 3.960 0.001 0.000 0.245 496 G C -0.039 175.006 174.900 0.242 0.000 1.073 496 G CA 0.661 45.866 45.100 0.176 0.000 0.638 496 G HN 0.378 nan 8.290 nan 0.000 0.521 497 D N -1.463 119.149 120.400 0.352 0.000 2.717 497 D HA 0.431 5.072 4.640 0.001 0.000 0.223 497 D C 0.848 177.304 176.300 0.259 0.000 1.240 497 D CA -0.364 53.809 54.000 0.289 0.000 0.801 497 D CB 1.422 42.323 40.800 0.169 0.000 1.556 497 D HN 0.121 nan 8.370 nan 0.000 0.462 498 I N 1.917 122.448 120.570 -0.065 0.000 2.394 498 I HA -0.118 4.053 4.170 0.001 0.000 0.251 498 I C 1.209 177.198 176.117 -0.213 0.000 1.136 498 I CA 1.333 62.299 61.300 -0.557 0.000 1.425 498 I CB 0.063 37.670 38.000 -0.655 0.000 1.079 498 I HN 0.305 nan 8.210 nan 0.000 0.425 499 D N 0.653 121.022 120.400 -0.052 0.000 2.351 499 D HA -0.040 4.601 4.640 0.001 0.000 0.216 499 D C 1.956 178.289 176.300 0.056 0.000 0.968 499 D CA 1.120 55.131 54.000 0.017 0.000 0.899 499 D CB 0.037 40.870 40.800 0.055 0.000 0.907 499 D HN 0.518 nan 8.370 nan 0.000 0.514 500 A N -0.053 122.799 122.820 0.054 0.000 2.197 500 A HA 0.127 4.448 4.320 0.001 0.000 0.210 500 A C 0.965 178.525 177.584 -0.040 0.000 1.180 500 A CA -0.356 51.748 52.037 0.112 0.000 0.846 500 A CB -0.021 19.126 19.000 0.245 0.000 0.884 500 A HN 0.200 nan 8.150 nan 0.000 0.487 501 L N 1.727 122.764 121.223 -0.311 0.000 2.615 501 L HA 0.042 4.383 4.340 0.001 0.000 0.284 501 L C 0.264 177.015 176.870 -0.199 0.000 1.237 501 L CA 0.412 54.853 54.840 -0.665 0.000 0.905 501 L CB -0.060 41.712 42.059 -0.479 0.000 1.149 501 L HN 0.420 nan 8.230 nan 0.000 0.499 502 E N 3.501 123.613 120.200 -0.147 0.000 2.369 502 E HA 0.011 4.361 4.350 0.001 0.000 0.255 502 E C 0.352 177.056 176.600 0.173 0.000 1.172 502 E CA -0.142 56.352 56.400 0.156 0.000 0.932 502 E CB 0.548 30.406 29.700 0.264 0.000 1.040 502 E HN 0.695 nan 8.360 nan 0.000 0.454 503 F N 0.971 121.021 119.950 0.168 0.000 2.031 503 F HA -0.261 4.267 4.527 0.001 0.000 0.295 503 F C 2.114 177.972 175.800 0.097 0.000 1.133 503 F CA 1.580 59.714 58.000 0.222 0.000 1.188 503 F CB -0.320 38.752 39.000 0.119 0.000 0.974 503 F HN 0.587 nan 8.300 nan 0.000 0.473 504 Y N 1.305 121.604 120.300 -0.002 0.000 2.242 504 Y HA 0.017 4.568 4.550 0.001 0.000 0.291 504 Y C -0.916 174.867 175.900 -0.195 0.000 1.137 504 Y CA 1.129 59.146 58.100 -0.137 0.000 1.181 504 Y CB -1.813 36.656 38.460 0.015 0.000 0.989 504 Y HN 0.066 nan 8.280 nan 0.000 0.527 505 P HA -0.091 nan 4.420 nan 0.000 0.217 505 P C 1.767 178.776 177.300 -0.486 0.000 1.150 505 P CA 2.215 65.159 63.100 -0.259 0.000 0.832 505 P CB -0.405 31.268 31.700 -0.045 0.000 0.787 506 G N 0.134 108.502 108.800 -0.720 0.000 2.446 506 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 506 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 506 G C 1.511 175.661 174.900 -1.249 0.000 1.168 506 G CA 0.670 44.919 45.100 -1.418 0.000 0.771 506 G HN 0.219 nan 8.290 nan 0.000 0.551 507 L N -0.252 120.407 121.223 -0.940 0.000 2.083 507 L HA 0.041 4.382 4.340 0.001 0.000 0.209 507 L C 2.605 179.227 176.870 -0.413 0.000 1.083 507 L CA 0.660 55.196 54.840 -0.507 0.000 0.752 507 L CB -0.233 41.562 42.059 -0.440 0.000 0.899 507 L HN 0.178 nan 8.230 nan 0.000 0.433 508 L N -0.929 120.005 121.223 -0.482 0.000 2.592 508 L HA 0.025 4.366 4.340 0.001 0.000 0.227 508 L C 1.726 178.435 176.870 -0.269 0.000 1.127 508 L CA 0.145 54.766 54.840 -0.364 0.000 0.884 508 L CB 0.220 42.004 42.059 -0.458 0.000 1.065 508 L HN 0.293 nan 8.230 nan 0.000 0.457 509 L N -1.293 119.747 121.223 -0.306 0.000 2.642 509 L HA 0.152 4.493 4.340 0.001 0.000 0.233 509 L C 1.135 177.866 176.870 -0.233 0.000 1.077 509 L CA -0.034 54.660 54.840 -0.243 0.000 0.879 509 L CB 0.396 42.292 42.059 -0.272 0.000 1.151 509 L HN 0.149 nan 8.230 nan 0.000 0.495 510 E N 3.297 123.336 120.200 -0.269 0.000 2.452 510 E HA -0.046 4.305 4.350 0.001 0.000 0.261 510 E C -0.165 176.335 176.600 -0.166 0.000 0.987 510 E CA -0.278 55.987 56.400 -0.224 0.000 0.926 510 E CB 0.639 30.255 29.700 -0.141 0.000 0.934 510 E HN 0.118 nan 8.360 nan 0.000 0.452 511 K N 2.930 123.235 120.400 -0.158 0.000 2.511 511 K HA -0.007 4.314 4.320 0.001 0.000 0.280 511 K C -0.545 175.977 176.600 -0.130 0.000 1.008 511 K CA -0.399 55.815 56.287 -0.121 0.000 1.050 511 K CB 0.024 32.464 32.500 -0.101 0.000 0.889 511 K HN 0.308 nan 8.250 nan 0.000 0.484 512 C N 3.084 122.319 119.300 -0.108 0.000 2.595 512 C HA 0.136 4.597 4.460 0.001 0.000 0.384 512 C C 0.803 175.732 174.990 -0.101 0.000 1.289 512 C CA -0.790 58.163 59.018 -0.109 0.000 2.372 512 C CB -0.520 27.175 27.740 -0.075 0.000 2.593 512 C HN 0.714 nan 8.230 nan 0.000 0.639 513 H N 2.476 121.517 119.070 -0.048 0.000 2.929 513 H HA 0.101 4.658 4.556 0.002 0.000 0.358 513 H C -1.886 173.451 175.328 0.015 0.000 1.111 513 H CA -0.745 55.277 56.048 -0.043 0.000 1.409 513 H CB -0.130 29.527 29.762 -0.175 0.000 1.373 513 H HN 0.460 nan 8.280 nan 0.000 0.610 514 P HA -0.092 nan 4.420 nan 0.000 0.260 514 P C -0.260 177.096 177.300 0.093 0.000 1.185 514 P CA 0.312 63.489 63.100 0.128 0.000 0.763 514 P CB 0.003 31.797 31.700 0.157 0.000 0.776 515 N N -0.661 118.055 118.700 0.027 0.000 2.741 515 N HA -0.185 4.556 4.740 0.001 0.000 0.250 515 N C 0.036 175.516 175.510 -0.049 0.000 1.115 515 N CA 0.989 54.026 53.050 -0.020 0.000 0.724 515 N CB -1.624 36.851 38.487 -0.020 0.000 1.090 515 N HN 0.656 nan 8.380 nan 0.000 0.558 516 S N -0.814 114.863 115.700 -0.038 0.000 2.747 516 S HA 0.584 5.055 4.470 0.001 0.000 0.300 516 S C 0.923 175.387 174.600 -0.227 0.000 1.121 516 S CA -0.918 57.221 58.200 -0.101 0.000 0.995 516 S CB 2.026 65.242 63.200 0.027 0.000 1.113 516 S HN 0.198 nan 8.310 nan 0.000 0.547 517 I N -0.161 120.146 120.570 -0.439 0.000 2.584 517 I HA 0.243 4.414 4.170 0.001 0.000 0.255 517 I C -0.232 175.559 176.117 -0.542 0.000 1.145 517 I CA 0.454 61.384 61.300 -0.616 0.000 1.462 517 I CB -0.078 37.359 38.000 -0.939 0.000 1.102 517 I HN 0.726 nan 8.210 nan 0.000 0.433 518 F N -1.933 117.885 119.950 -0.220 0.000 2.923 518 F HA 0.690 5.218 4.527 0.001 0.000 0.323 518 F C 0.342 176.023 175.800 -0.198 0.000 1.189 518 F CA -1.146 56.719 58.000 -0.225 0.000 0.930 518 F CB -0.075 38.753 39.000 -0.286 0.000 1.414 518 F HN -0.254 nan 8.300 nan 0.000 0.496 519 G N -0.376 108.477 108.800 0.089 0.000 2.588 519 G HA2 0.322 4.283 3.960 0.001 0.000 0.278 519 G HA3 0.322 4.283 3.960 0.001 0.000 0.278 519 G C 0.413 175.204 174.900 -0.182 0.000 1.307 519 G CA -0.007 45.006 45.100 -0.145 0.000 1.016 519 G HN 1.005 nan 8.290 nan 0.000 0.503 520 E N -1.022 118.959 120.200 -0.365 0.000 2.150 520 E HA -0.106 4.245 4.350 0.001 0.000 0.193 520 E C 2.195 178.778 176.600 -0.028 0.000 0.985 520 E CA 1.488 57.809 56.400 -0.132 0.000 0.814 520 E CB -0.262 29.391 29.700 -0.078 0.000 0.752 520 E HN 0.258 nan 8.360 nan 0.000 0.466 521 S N 0.518 116.196 115.700 -0.036 0.000 2.368 521 S HA -0.142 4.329 4.470 0.001 0.000 0.225 521 S C 1.779 176.300 174.600 -0.131 0.000 1.030 521 S CA 1.448 59.627 58.200 -0.035 0.000 0.999 521 S CB -0.256 63.034 63.200 0.149 0.000 0.844 521 S HN 0.267 nan 8.310 nan 0.000 0.459 522 M N 1.321 120.781 119.600 -0.233 0.000 2.149 522 M HA -0.011 4.470 4.480 0.001 0.000 0.261 522 M C 1.594 177.682 176.300 -0.353 0.000 1.064 522 M CA 1.486 56.520 55.300 -0.444 0.000 1.102 522 M CB -0.413 31.558 32.600 -1.047 0.000 1.369 522 M HN 0.276 nan 8.290 nan 0.000 0.408 523 I N -0.716 119.739 120.570 -0.191 0.000 2.235 523 I HA -0.198 3.973 4.170 0.001 0.000 0.241 523 I C 2.049 178.181 176.117 0.025 0.000 1.085 523 I CA 0.860 62.170 61.300 0.018 0.000 1.378 523 I CB -0.561 37.561 38.000 0.203 0.000 1.076 523 I HN 0.194 nan 8.210 nan 0.000 0.415 524 E N 0.429 120.632 120.200 0.006 0.000 2.268 524 E HA -0.140 4.211 4.350 0.001 0.000 0.195 524 E C 2.067 178.581 176.600 -0.143 0.000 0.995 524 E CA 1.219 57.624 56.400 0.009 0.000 0.836 524 E CB -0.025 29.698 29.700 0.039 0.000 0.763 524 E HN 0.571 nan 8.360 nan 0.000 0.491 525 M N -0.985 118.408 119.600 -0.345 0.000 2.657 525 M HA 0.133 4.614 4.480 0.001 0.000 0.262 525 M C 2.250 178.277 176.300 -0.456 0.000 1.213 525 M CA 0.843 55.608 55.300 -0.891 0.000 1.182 525 M CB 0.017 32.181 32.600 -0.727 0.000 1.303 525 M HN 0.053 nan 8.290 nan 0.000 0.501 526 G N 0.581 109.324 108.800 -0.095 0.000 2.414 526 G HA2 -0.116 3.845 3.960 0.001 0.000 0.215 526 G HA3 -0.116 3.845 3.960 0.001 0.000 0.215 526 G C 1.628 176.599 174.900 0.118 0.000 1.188 526 G CA 0.997 46.197 45.100 0.167 0.000 0.783 526 G HN 0.470 nan 8.290 nan 0.000 0.537 527 A N 1.709 124.579 122.820 0.083 0.000 1.908 527 A HA 0.018 4.339 4.320 0.001 0.000 0.218 527 A C 0.771 178.382 177.584 0.045 0.000 1.181 527 A CA 2.129 54.234 52.037 0.113 0.000 0.627 527 A CB -1.272 17.814 19.000 0.143 0.000 0.818 527 A HN 0.380 nan 8.150 nan 0.000 0.445 528 P HA -0.164 nan 4.420 nan 0.000 0.215 528 P C 1.189 178.404 177.300 -0.142 0.000 1.157 528 P CA 1.240 64.300 63.100 -0.067 0.000 0.874 528 P CB -0.215 31.457 31.700 -0.046 0.000 0.790 529 F N -0.802 119.028 119.950 -0.200 0.000 2.113 529 F HA -0.164 4.364 4.527 0.002 0.000 0.297 529 F C 2.787 178.256 175.800 -0.552 0.000 1.103 529 F CA 1.382 59.051 58.000 -0.552 0.000 1.248 529 F CB -1.019 37.192 39.000 -1.315 0.000 0.999 529 F HN -0.071 nan 8.300 nan 0.000 0.475 530 S N 0.694 116.276 115.700 -0.196 0.000 2.353 530 S HA -0.177 4.294 4.470 0.001 0.000 0.222 530 S C 2.031 176.725 174.600 0.156 0.000 1.035 530 S CA 1.379 59.662 58.200 0.140 0.000 1.025 530 S CB -0.540 62.875 63.200 0.358 0.000 0.902 530 S HN 0.282 nan 8.310 nan 0.000 0.440 531 L N 0.737 122.042 121.223 0.137 0.000 2.093 531 L HA -0.039 4.302 4.340 0.001 0.000 0.208 531 L C 2.673 179.642 176.870 0.165 0.000 1.085 531 L CA 1.351 56.284 54.840 0.154 0.000 0.755 531 L CB -0.501 41.644 42.059 0.143 0.000 0.904 531 L HN 0.283 nan 8.230 nan 0.000 0.435 532 K N 0.895 121.376 120.400 0.135 0.000 2.057 532 K HA -0.110 4.211 4.320 0.001 0.000 0.207 532 K C 1.949 178.630 176.600 0.136 0.000 1.049 532 K CA 1.591 57.975 56.287 0.161 0.000 0.931 532 K CB -0.804 31.730 32.500 0.057 0.000 0.714 532 K HN 0.202 nan 8.250 nan 0.000 0.440 533 G N 0.913 109.750 108.800 0.061 0.000 2.446 533 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 533 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 533 G C 1.284 176.242 174.900 0.097 0.000 1.168 533 G CA 0.857 45.963 45.100 0.010 0.000 0.771 533 G HN 0.205 nan 8.290 nan 0.000 0.551 534 L N 0.189 121.504 121.223 0.153 0.000 1.994 534 L HA 0.064 4.405 4.340 0.001 0.000 0.208 534 L C 2.819 179.825 176.870 0.227 0.000 1.071 534 L CA 1.078 56.028 54.840 0.184 0.000 0.745 534 L CB -1.176 40.985 42.059 0.170 0.000 0.892 534 L HN 0.140 nan 8.230 nan 0.000 0.431 535 L N -0.662 120.709 121.223 0.247 0.000 2.418 535 L HA 0.055 4.396 4.340 0.001 0.000 0.218 535 L C 2.295 179.431 176.870 0.443 0.000 1.125 535 L CA 1.171 56.169 54.840 0.262 0.000 0.835 535 L CB -1.587 40.491 42.059 0.032 0.000 0.953 535 L HN 0.305 nan 8.230 nan 0.000 0.454 536 G N -0.495 108.571 108.800 0.444 0.000 2.744 536 G HA2 -0.174 3.787 3.960 0.001 0.000 0.211 536 G HA3 -0.174 3.787 3.960 0.001 0.000 0.211 536 G C 0.911 176.016 174.900 0.342 0.000 1.143 536 G CA -0.236 45.090 45.100 0.378 0.000 0.788 536 G HN 0.314 nan 8.290 nan 0.000 0.534 537 N N 1.280 120.170 118.700 0.316 0.000 2.412 537 N HA 0.024 4.764 4.740 0.001 0.000 0.258 537 N C -1.010 174.668 175.510 0.280 0.000 1.236 537 N CA -1.138 52.071 53.050 0.265 0.000 0.882 537 N CB 1.862 40.507 38.487 0.263 0.000 1.066 537 N HN -0.040 nan 8.380 nan 0.000 0.465 538 P HA -0.178 nan 4.420 nan 0.000 0.218 538 P C 1.485 178.738 177.300 -0.078 0.000 1.146 538 P CA 1.270 64.294 63.100 -0.126 0.000 0.813 538 P CB -0.142 31.392 31.700 -0.276 0.000 0.778 539 I N -3.179 117.565 120.570 0.291 0.000 2.700 539 I HA -0.122 4.049 4.170 0.001 0.000 0.261 539 I C 1.603 178.074 176.117 0.590 0.000 1.219 539 I CA 1.386 63.024 61.300 0.564 0.000 1.463 539 I CB -1.171 37.248 38.000 0.697 0.000 1.092 539 I HN -0.154 nan 8.210 nan 0.000 0.452 540 C N 1.315 120.826 119.300 0.351 0.000 2.618 540 C HA 0.200 4.661 4.460 0.001 0.000 0.264 540 C C 1.809 176.816 174.990 0.029 0.000 1.334 540 C CA 0.144 59.294 59.018 0.220 0.000 1.731 540 C CB -1.778 26.157 27.740 0.324 0.000 1.852 540 C HN 0.711 nan 8.230 nan 0.000 0.566 541 S N 2.028 117.483 115.700 -0.408 0.000 2.593 541 S HA 0.168 4.639 4.470 0.001 0.000 0.269 541 S C -1.657 172.731 174.600 -0.354 0.000 1.334 541 S CA -0.492 57.085 58.200 -1.038 0.000 1.015 541 S CB 0.543 63.139 63.200 -1.006 0.000 0.912 541 S HN 0.070 nan 8.310 nan 0.000 0.541 542 P HA -0.103 nan 4.420 nan 0.000 0.217 542 P C 1.310 178.529 177.300 -0.134 0.000 1.148 542 P CA 1.237 63.959 63.100 -0.629 0.000 0.828 542 P CB 0.071 31.343 31.700 -0.715 0.000 0.783 543 E N -1.540 118.610 120.200 -0.083 0.000 2.107 543 E HA -0.140 4.211 4.350 0.001 0.000 0.191 543 E C 1.625 178.391 176.600 0.275 0.000 0.982 543 E CA 1.417 57.875 56.400 0.098 0.000 0.809 543 E CB -0.639 29.140 29.700 0.132 0.000 0.756 543 E HN 0.381 nan 8.360 nan 0.000 0.459 544 Y N -2.141 118.157 120.300 -0.004 0.000 2.503 544 Y HA 0.068 4.619 4.550 0.001 0.000 0.277 544 Y C 0.764 176.737 175.900 0.122 0.000 1.102 544 Y CA -0.612 57.496 58.100 0.013 0.000 1.261 544 Y CB 0.231 38.719 38.460 0.046 0.000 1.096 544 Y HN 0.091 nan 8.280 nan 0.000 0.546 545 W N 4.432 125.886 121.300 0.257 0.000 1.564 545 W HA 0.178 4.839 4.660 0.001 0.000 0.480 545 W C -0.904 175.737 176.519 0.204 0.000 0.699 545 W CA 0.501 58.068 57.345 0.371 0.000 1.985 545 W CB -0.476 29.296 29.460 0.520 0.000 1.738 545 W HN 0.029 nan 8.180 nan 0.000 0.218 546 K N 0.970 121.201 120.400 -0.281 0.000 2.480 546 K HA 0.479 4.800 4.320 0.001 0.000 0.258 546 K C 0.630 176.660 176.600 -0.950 0.000 0.990 546 K CA -0.430 55.569 56.287 -0.480 0.000 0.857 546 K CB 1.765 34.121 32.500 -0.240 0.000 1.384 546 K HN 0.014 nan 8.250 nan 0.000 0.446 547 A N 0.601 122.973 122.820 -0.746 0.000 1.873 547 A HA -0.161 4.160 4.320 0.001 0.000 0.215 547 A C 1.966 179.395 177.584 -0.258 0.000 1.186 547 A CA 2.205 53.914 52.037 -0.546 0.000 0.616 547 A CB -0.928 17.987 19.000 -0.142 0.000 0.823 547 A HN 0.775 nan 8.150 nan 0.000 0.442 548 S N -0.480 115.097 115.700 -0.204 0.000 2.402 548 S HA -0.195 4.276 4.470 0.001 0.000 0.233 548 S C 1.782 176.256 174.600 -0.210 0.000 1.030 548 S CA 2.030 60.154 58.200 -0.126 0.000 1.003 548 S CB -1.412 61.723 63.200 -0.109 0.000 0.813 548 S HN 0.505 nan 8.310 nan 0.000 0.477 549 T N 1.461 115.760 114.554 -0.425 0.000 2.803 549 T HA -0.009 4.342 4.350 0.001 0.000 0.269 549 T C 0.565 174.856 174.700 -0.681 0.000 1.052 549 T CA 1.322 63.016 62.100 -0.676 0.000 1.136 549 T CB -0.501 67.758 68.868 -1.015 0.000 0.864 549 T HN 0.624 nan 8.240 nan 0.000 0.467 550 F N 0.177 120.063 119.950 -0.106 0.000 2.772 550 F HA 0.493 5.021 4.527 0.001 0.000 0.302 550 F C 1.584 177.439 175.800 0.091 0.000 1.136 550 F CA -0.551 57.456 58.000 0.011 0.000 1.322 550 F CB -0.015 39.009 39.000 0.041 0.000 0.967 550 F HN 0.176 nan 8.300 nan 0.000 0.513 551 G N 0.235 109.171 108.800 0.227 0.000 2.155 551 G HA2 0.041 4.002 3.960 0.001 0.000 0.257 551 G HA3 0.041 4.002 3.960 0.001 0.000 0.257 551 G C 0.670 175.730 174.900 0.268 0.000 0.983 551 G CA 0.121 45.413 45.100 0.321 0.000 0.676 551 G HN 1.262 nan 8.290 nan 0.000 0.528 552 G N -1.310 107.597 108.800 0.178 0.000 2.352 552 G HA2 0.270 4.231 3.960 0.001 0.000 0.324 552 G HA3 0.270 4.231 3.960 0.001 0.000 0.324 552 G C 0.191 175.187 174.900 0.159 0.000 1.249 552 G CA 0.565 45.745 45.100 0.134 0.000 1.053 552 G HN 0.915 nan 8.290 nan 0.000 0.492 553 E N -0.731 119.548 120.200 0.131 0.000 2.110 553 E HA -0.017 4.334 4.350 0.001 0.000 0.193 553 E C 2.748 179.426 176.600 0.131 0.000 0.988 553 E CA 2.006 58.497 56.400 0.151 0.000 0.804 553 E CB -0.278 29.477 29.700 0.090 0.000 0.745 553 E HN 0.569 nan 8.360 nan 0.000 0.458 554 V N -0.227 119.741 119.914 0.089 0.000 2.287 554 V HA -0.233 3.888 4.120 0.001 0.000 0.248 554 V C 2.219 178.371 176.094 0.096 0.000 1.053 554 V CA 2.066 64.404 62.300 0.064 0.000 1.027 554 V CB -0.983 30.855 31.823 0.024 0.000 0.646 554 V HN 0.482 nan 8.190 nan 0.000 0.447 555 G N -1.509 107.382 108.800 0.152 0.000 2.403 555 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 555 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 555 G C 1.525 176.534 174.900 0.182 0.000 1.154 555 G CA 0.552 45.766 45.100 0.190 0.000 0.784 555 G HN 0.411 nan 8.290 nan 0.000 0.538 556 F N 2.250 122.193 119.950 -0.011 0.000 2.146 556 F HA 0.023 4.551 4.527 0.001 0.000 0.298 556 F C 2.308 178.012 175.800 -0.160 0.000 1.096 556 F CA 0.747 58.642 58.000 -0.174 0.000 1.275 556 F CB -0.377 38.566 39.000 -0.094 0.000 1.008 556 F HN 0.064 nan 8.300 nan 0.000 0.480 557 N N 0.610 119.315 118.700 0.008 0.000 2.223 557 N HA -0.141 4.600 4.740 0.001 0.000 0.185 557 N C 2.143 177.633 175.510 -0.032 0.000 1.016 557 N CA 0.979 53.991 53.050 -0.064 0.000 0.863 557 N CB -0.543 37.932 38.487 -0.020 0.000 0.983 557 N HN 0.325 nan 8.380 nan 0.000 0.429 558 L N 0.283 121.510 121.223 0.007 0.000 2.083 558 L HA -0.128 4.213 4.340 0.001 0.000 0.209 558 L C 2.160 179.051 176.870 0.034 0.000 1.083 558 L CA 0.768 55.623 54.840 0.025 0.000 0.752 558 L CB -0.422 41.667 42.059 0.049 0.000 0.899 558 L HN -0.018 nan 8.230 nan 0.000 0.433 559 V N -0.035 119.877 119.914 -0.003 0.000 2.270 559 V HA -0.277 3.844 4.120 0.001 0.000 0.245 559 V C 2.428 178.591 176.094 0.114 0.000 1.043 559 V CA 1.783 64.114 62.300 0.051 0.000 1.014 559 V CB -0.486 31.302 31.823 -0.058 0.000 0.645 559 V HN 0.407 nan 8.190 nan 0.000 0.447 560 K N 0.384 120.783 120.400 -0.001 0.000 2.147 560 K HA -0.131 4.189 4.320 0.001 0.000 0.205 560 K C 1.870 178.500 176.600 0.051 0.000 1.049 560 K CA 1.875 58.172 56.287 0.017 0.000 0.936 560 K CB -0.325 32.077 32.500 -0.163 0.000 0.722 560 K HN 0.699 nan 8.250 nan 0.000 0.446 561 T N -2.019 112.551 114.554 0.027 0.000 3.069 561 T HA 0.368 4.719 4.350 0.001 0.000 0.252 561 T C 0.568 175.292 174.700 0.041 0.000 1.053 561 T CA -0.374 61.743 62.100 0.028 0.000 0.964 561 T CB 0.242 69.112 68.868 0.004 0.000 1.005 561 T HN 0.097 nan 8.240 nan 0.000 0.532 562 A N 1.199 124.060 122.820 0.067 0.000 2.555 562 A HA 0.501 4.822 4.320 0.001 0.000 0.233 562 A C 0.400 178.020 177.584 0.060 0.000 1.060 562 A CA 0.225 52.304 52.037 0.070 0.000 0.759 562 A CB -0.147 18.924 19.000 0.119 0.000 0.995 562 A HN 0.431 nan 8.150 nan 0.000 0.506 563 T N 1.478 116.049 114.554 0.028 0.000 2.957 563 T HA 0.283 4.634 4.350 0.001 0.000 0.336 563 T C 0.997 175.670 174.700 -0.045 0.000 1.462 563 T CA -0.537 61.562 62.100 -0.001 0.000 1.073 563 T CB 1.028 69.883 68.868 -0.022 0.000 1.319 563 T HN 0.608 nan 8.240 nan 0.000 0.485 564 L N 2.436 123.609 121.223 -0.083 0.000 1.989 564 L HA -0.064 4.276 4.340 0.001 0.000 0.211 564 L C 2.594 179.354 176.870 -0.183 0.000 1.071 564 L CA 1.874 56.621 54.840 -0.154 0.000 0.749 564 L CB -0.251 41.582 42.059 -0.376 0.000 0.890 564 L HN 0.726 nan 8.230 nan 0.000 0.431 565 K N 0.072 120.357 120.400 -0.191 0.000 2.074 565 K HA -0.257 4.064 4.320 0.001 0.000 0.209 565 K C 2.082 178.598 176.600 -0.140 0.000 1.048 565 K CA 1.812 57.994 56.287 -0.176 0.000 0.926 565 K CB 0.024 32.429 32.500 -0.158 0.000 0.713 565 K HN 0.274 nan 8.250 nan 0.000 0.444 566 K N 0.155 120.487 120.400 -0.115 0.000 2.155 566 K HA -0.094 4.227 4.320 0.001 0.000 0.203 566 K C 2.034 178.556 176.600 -0.130 0.000 1.052 566 K CA 0.800 57.027 56.287 -0.100 0.000 0.948 566 K CB -0.065 32.395 32.500 -0.067 0.000 0.728 566 K HN 0.094 nan 8.250 nan 0.000 0.448 567 L N 0.705 121.829 121.223 -0.165 0.000 2.083 567 L HA -0.166 4.175 4.340 0.001 0.000 0.209 567 L C 1.813 178.523 176.870 -0.267 0.000 1.083 567 L CA 1.391 56.075 54.840 -0.259 0.000 0.752 567 L CB 0.014 41.865 42.059 -0.347 0.000 0.899 567 L HN -0.101 nan 8.230 nan 0.000 0.433 568 V N -2.045 117.736 119.914 -0.223 0.000 2.326 568 V HA -0.204 3.917 4.120 0.001 0.000 0.238 568 V C 2.345 178.341 176.094 -0.163 0.000 1.038 568 V CA 1.557 63.732 62.300 -0.209 0.000 1.032 568 V CB -0.513 31.190 31.823 -0.201 0.000 0.675 568 V HN 0.503 nan 8.190 nan 0.000 0.467 569 c N 0.071 118.588 118.600 -0.140 0.000 2.456 569 c HA 0.036 4.607 4.570 0.001 0.000 0.279 569 c C 2.424 176.456 174.090 -0.097 0.000 1.427 569 c CA 0.233 56.496 56.329 -0.110 0.000 1.778 569 c CB -1.140 41.312 42.510 -0.098 0.000 1.842 569 c HN 0.460 nan 8.230 nan 0.000 0.531 570 L N 1.143 122.305 121.223 -0.102 0.000 2.492 570 L HA 0.077 4.418 4.340 0.001 0.000 0.223 570 L C 1.609 178.421 176.870 -0.096 0.000 1.132 570 L CA 1.524 56.311 54.840 -0.088 0.000 0.850 570 L CB -0.535 41.476 42.059 -0.080 0.000 0.966 570 L HN 0.370 nan 8.230 nan 0.000 0.454 571 N N -1.247 117.381 118.700 -0.119 0.000 2.204 571 N HA 0.117 4.858 4.740 0.001 0.000 0.219 571 N C 0.206 175.638 175.510 -0.130 0.000 1.151 571 N CA 0.317 53.290 53.050 -0.129 0.000 0.867 571 N CB 0.733 39.129 38.487 -0.153 0.000 1.043 571 N HN 0.315 nan 8.380 nan 0.000 0.516 572 T N -2.863 111.623 114.554 -0.113 0.000 2.916 572 T HA 0.415 4.766 4.350 0.001 0.000 0.292 572 T C 1.079 175.732 174.700 -0.078 0.000 1.064 572 T CA -0.712 61.327 62.100 -0.102 0.000 1.011 572 T CB 2.539 71.348 68.868 -0.099 0.000 1.152 572 T HN -0.320 nan 8.240 nan 0.000 0.510 573 K N 0.946 121.306 120.400 -0.066 0.000 2.025 573 K HA 0.075 4.396 4.320 0.001 0.000 0.207 573 K C 1.335 177.910 176.600 -0.041 0.000 1.049 573 K CA 1.383 57.641 56.287 -0.049 0.000 0.933 573 K CB -0.528 31.950 32.500 -0.038 0.000 0.714 573 K HN 0.914 nan 8.250 nan 0.000 0.438 574 T N -2.365 112.165 114.554 -0.040 0.000 2.926 574 T HA 0.348 4.699 4.350 0.001 0.000 0.289 574 T C -0.355 174.319 174.700 -0.044 0.000 1.054 574 T CA -1.016 61.063 62.100 -0.035 0.000 1.015 574 T CB 1.963 70.817 68.868 -0.023 0.000 1.167 574 T HN 0.128 nan 8.240 nan 0.000 0.526 575 c N 3.975 122.551 118.600 -0.039 0.000 2.271 575 c HA 0.701 5.272 4.570 0.001 0.000 0.323 575 c C -1.943 172.127 174.090 -0.034 0.000 1.245 575 c CA -1.353 54.947 56.329 -0.049 0.000 1.548 575 c CB -0.462 42.017 42.510 -0.052 0.000 2.214 575 c HN 0.866 nan 8.230 nan 0.000 0.477 576 P HA 0.190 nan 4.420 nan 0.000 0.293 576 P C -1.239 176.067 177.300 0.009 0.000 1.304 576 P CA -0.458 62.638 63.100 -0.006 0.000 0.767 576 P CB 0.442 32.130 31.700 -0.020 0.000 1.247 577 Y N 0.309 120.573 120.300 -0.060 0.000 2.496 577 Y HA 0.343 4.894 4.550 0.002 0.000 0.334 577 Y C -0.436 175.417 175.900 -0.078 0.000 1.080 577 Y CA 0.124 58.183 58.100 -0.069 0.000 1.355 577 Y CB 0.106 38.529 38.460 -0.062 0.000 1.193 577 Y HN 0.130 nan 8.280 nan 0.000 0.523 578 V N 6.907 126.410 119.914 -0.686 0.000 2.569 578 V HA 0.744 4.865 4.120 0.001 0.000 0.301 578 V C -1.291 174.378 176.094 -0.708 0.000 1.044 578 V CA 0.294 62.277 62.300 -0.527 0.000 0.874 578 V CB 1.534 33.173 31.823 -0.306 0.000 1.002 578 V HN 0.901 nan 8.190 nan 0.000 0.424 579 S N 4.798 120.133 115.700 -0.608 0.000 2.611 579 S HA 0.489 4.960 4.470 0.001 0.000 0.270 579 S C -0.380 174.049 174.600 -0.285 0.000 1.131 579 S CA -0.428 57.428 58.200 -0.574 0.000 0.826 579 S CB 1.253 63.950 63.200 -0.837 0.000 1.095 579 S HN 0.614 nan 8.310 nan 0.000 0.461 580 F N 1.596 121.536 119.950 -0.016 0.000 2.797 580 F HA 0.238 4.766 4.527 0.001 0.000 0.302 580 F C 0.940 176.827 175.800 0.145 0.000 1.130 580 F CA 0.106 58.198 58.000 0.152 0.000 1.387 580 F CB 0.140 39.275 39.000 0.225 0.000 1.107 580 F HN 0.693 nan 8.300 nan 0.000 0.577 581 H N -3.380 115.814 119.070 0.206 0.000 2.895 581 H HA 0.532 5.089 4.556 0.001 0.000 0.373 581 H C -0.743 174.715 175.328 0.218 0.000 1.174 581 H CA -1.360 54.773 56.048 0.142 0.000 1.144 581 H CB 0.499 30.302 29.762 0.067 0.000 1.793 581 H HN -0.261 nan 8.280 nan 0.000 0.551 582 V N 2.831 122.884 119.914 0.231 0.000 2.788 582 V HA 0.084 4.205 4.120 0.001 0.000 0.307 582 V C -1.859 174.315 176.094 0.135 0.000 1.069 582 V CA -1.036 61.357 62.300 0.155 0.000 1.173 582 V CB -0.055 31.822 31.823 0.091 0.000 0.925 582 V HN 0.788 nan 8.190 nan 0.000 0.492 583 P HA 0.060 nan 4.420 nan 0.000 0.261 583 P C 0.004 177.284 177.300 -0.033 0.000 1.173 583 P CA 0.388 63.349 63.100 -0.232 0.000 0.760 583 P CB -0.076 31.331 31.700 -0.489 0.000 0.783 584 D N 0.000 120.423 120.400 0.038 0.000 6.856 584 D HA 0.000 4.641 4.640 0.001 0.000 0.175 584 D CA 0.000 54.022 54.000 0.037 0.000 0.868 584 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683