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 2wcg_1_B DATA FIRST_RESID 0 DATA SEQUENCE FARPcIPKSF GYSSVVcVcN ATYcDSFDPP XXXALGTFSR YESTRSGRRM DATA SEQUENCE ELSMGPIQAN HTGTGLLLTL QPEQKFQKVK GFGGAMTDAA ALNILALSPP DATA SEQUENCE AQNLLLKSYF SEEGIGYNII RVPMASCDFS IRTYTYADTP DDFQLHNFSL DATA SEQUENCE PEEDTKLKIP LIHRALQLAQ RPVSLLASPW TSPTWLKTNG AVNGKGSLKG DATA SEQUENCE QPGDIYHQTW ARYFVKFLDA YAEHKLQFWA VTAENEPSAG LLSGYPFQCL DATA SEQUENCE GFTPEHQRDF IARDLGPTLA NSTHHNVRLL MLDDQRLLLP HWAKVVLTDP DATA SEQUENCE EAAKYVHGIA VHWYLDFLAP AKATLGETHR LFPNTMLFAS EACVGSKFWE DATA SEQUENCE QSVRLGSWDR GMQYSHSIIT NLLYHVVGWT DWNLALNPEG GPNWVRNFVD DATA SEQUENCE SPIIVDITKD TFYKQPMFYH LGHFSKFIPE GSQRVGLVAS QKNDLDAVAL DATA SEQUENCE MHPDGSAVVV VLNRSSKDVP LTIKDPAVGF LETISPGYSI HTYLWHRQ 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 0 F HA 0.000 nan 4.527 nan 0.000 0.279 0 F C 0.000 175.813 175.800 0.022 0.000 0.967 0 F CA 0.000 58.021 58.000 0.035 0.000 1.383 0 F CB 0.000 39.006 39.000 0.010 0.000 1.145 1 A N 1.522 124.356 122.820 0.023 0.000 2.560 1 A HA -0.088 4.239 4.320 0.012 0.000 0.299 1 A C 0.194 177.771 177.584 -0.012 0.000 1.484 1 A CA 1.014 53.048 52.037 -0.005 0.000 0.749 1 A CB -2.423 16.586 19.000 0.015 0.000 1.072 1 A HN 1.288 nan 8.150 nan 0.000 0.426 2 R N 0.581 121.059 120.500 -0.037 0.000 2.308 2 R HA 0.487 4.834 4.340 0.012 0.000 0.305 2 R C -2.326 173.989 176.300 0.025 0.000 1.053 2 R CA -1.541 54.553 56.100 -0.010 0.000 0.957 2 R CB 0.777 30.963 30.300 -0.191 0.000 1.022 2 R HN 0.398 nan 8.270 nan 0.000 0.461 3 P HA 0.004 nan 4.420 nan 0.000 0.276 3 P C -0.050 177.326 177.300 0.126 0.000 1.244 3 P CA -0.733 62.406 63.100 0.066 0.000 0.801 3 P CB 0.632 32.356 31.700 0.041 0.000 1.006 4 c N 3.375 122.009 118.600 0.056 0.000 2.538 4 c HA 0.084 4.661 4.570 0.012 0.000 0.408 4 c C 0.563 174.682 174.090 0.048 0.000 1.421 4 c CA -0.307 56.059 56.329 0.062 0.000 1.642 4 c CB -1.981 40.517 42.510 -0.020 0.000 2.553 4 c HN 0.255 nan 8.230 nan 0.000 0.604 5 I N 9.730 130.332 120.570 0.052 0.000 2.281 5 I HA 0.291 4.468 4.170 0.012 0.000 0.293 5 I C -1.530 174.588 176.117 0.000 0.000 1.085 5 I CA -2.756 58.525 61.300 -0.033 0.000 1.257 5 I CB 0.356 38.287 38.000 -0.115 0.000 1.430 5 I HN 0.582 nan 8.210 nan 0.000 0.489 6 P HA 0.284 nan 4.420 nan 0.000 0.278 6 P C -0.669 176.626 177.300 -0.009 0.000 1.238 6 P CA -0.584 62.518 63.100 0.004 0.000 0.794 6 P CB 1.743 33.431 31.700 -0.019 0.000 0.955 7 K N 1.115 121.523 120.400 0.012 0.000 2.535 7 K HA 0.373 4.701 4.320 0.012 0.000 0.250 7 K C -0.962 175.596 176.600 -0.071 0.000 0.948 7 K CA -0.534 55.710 56.287 -0.072 0.000 0.796 7 K CB 1.713 34.167 32.500 -0.077 0.000 1.216 7 K HN 0.362 nan 8.250 nan 0.000 0.432 8 S N 3.111 118.708 115.700 -0.172 0.000 2.554 8 S HA 0.458 4.935 4.470 0.012 0.000 0.278 8 S C -0.297 174.103 174.600 -0.332 0.000 1.242 8 S CA -0.475 57.658 58.200 -0.112 0.000 1.051 8 S CB 0.303 63.446 63.200 -0.095 0.000 0.986 8 S HN 0.532 nan 8.310 nan 0.000 0.502 9 F N 2.423 122.346 119.950 -0.044 0.000 2.698 9 F HA 0.398 4.933 4.527 0.013 0.000 0.304 9 F C 1.666 177.342 175.800 -0.206 0.000 1.108 9 F CA 0.121 58.077 58.000 -0.074 0.000 1.263 9 F CB 0.661 39.667 39.000 0.010 0.000 1.013 9 F HN 0.892 nan 8.300 nan 0.000 0.532 10 G N -0.951 107.779 108.800 -0.118 0.000 2.176 10 G HA2 -0.293 3.674 3.960 0.012 0.000 0.232 10 G HA3 -0.293 3.674 3.960 0.012 0.000 0.232 10 G C 0.130 174.802 174.900 -0.379 0.000 0.986 10 G CA -0.318 44.614 45.100 -0.280 0.000 0.643 10 G HN 0.339 nan 8.290 nan 0.000 0.522 11 Y N 0.797 121.147 120.300 0.084 0.000 2.564 11 Y HA 0.465 5.023 4.550 0.012 0.000 0.347 11 Y C 2.289 178.230 175.900 0.068 0.000 1.284 11 Y CA 0.216 58.361 58.100 0.076 0.000 1.449 11 Y CB 0.404 38.917 38.460 0.088 0.000 1.606 11 Y HN 0.184 nan 8.280 nan 0.000 0.594 12 S N -1.453 114.410 115.700 0.270 0.000 2.481 12 S HA 0.036 4.514 4.470 0.012 0.000 0.231 12 S C 0.658 175.333 174.600 0.125 0.000 0.996 12 S CA 0.761 59.054 58.200 0.155 0.000 0.942 12 S CB -0.085 63.202 63.200 0.145 0.000 0.768 12 S HN 0.449 nan 8.310 nan 0.000 0.520 13 S N -0.488 115.328 115.700 0.193 0.000 2.880 13 S HA 0.688 5.166 4.470 0.012 0.000 0.308 13 S C -1.073 173.632 174.600 0.176 0.000 1.195 13 S CA -0.221 58.066 58.200 0.146 0.000 0.866 13 S CB 1.026 64.353 63.200 0.212 0.000 1.254 13 S HN 0.736 nan 8.310 nan 0.000 0.571 14 V N 0.842 120.850 119.914 0.155 0.000 2.881 14 V HA 0.954 5.081 4.120 0.012 0.000 0.316 14 V C 0.118 176.334 176.094 0.203 0.000 1.070 14 V CA -0.514 61.874 62.300 0.147 0.000 0.976 14 V CB 0.999 32.863 31.823 0.068 0.000 1.038 14 V HN 0.934 nan 8.190 nan 0.000 0.446 15 V N -0.321 119.720 119.914 0.212 0.000 2.973 15 V HA 0.664 4.791 4.120 0.012 0.000 0.314 15 V C 0.113 176.328 176.094 0.203 0.000 1.066 15 V CA -0.517 61.922 62.300 0.232 0.000 1.021 15 V CB 1.215 33.166 31.823 0.212 0.000 1.076 15 V HN 1.089 nan 8.190 nan 0.000 0.462 16 c N 2.923 121.660 118.600 0.227 0.000 2.273 16 c HA 0.629 5.207 4.570 0.012 0.000 0.328 16 c C 0.323 174.491 174.090 0.130 0.000 1.275 16 c CA -0.690 55.737 56.329 0.163 0.000 1.704 16 c CB -0.039 42.590 42.510 0.198 0.000 2.326 16 c HN 0.749 nan 8.230 nan 0.000 0.517 17 V N 3.318 123.299 119.914 0.111 0.000 2.432 17 V HA 0.314 4.442 4.120 0.012 0.000 0.271 17 V C 0.308 176.320 176.094 -0.137 0.000 1.046 17 V CA -0.079 62.255 62.300 0.056 0.000 0.945 17 V CB 0.269 32.168 31.823 0.126 0.000 0.992 17 V HN 1.050 nan 8.190 nan 0.000 0.471 18 c N 5.451 123.764 118.600 -0.478 0.000 2.614 18 c HA 0.844 5.421 4.570 0.012 0.000 0.320 18 c C 0.270 174.008 174.090 -0.588 0.000 1.200 18 c CA -0.614 55.327 56.329 -0.647 0.000 1.700 18 c CB 1.529 43.186 42.510 -1.421 0.000 2.275 18 c HN 1.107 nan 8.230 nan 0.000 0.492 19 N N 0.367 118.918 118.700 -0.249 0.000 3.574 19 N HA 0.506 5.253 4.740 0.012 0.000 0.340 19 N C 0.216 175.751 175.510 0.042 0.000 1.650 19 N CA -0.045 52.958 53.050 -0.078 0.000 0.762 19 N CB 0.111 38.572 38.487 -0.043 0.000 2.206 19 N HN 0.473 nan 8.380 nan 0.000 0.621 20 A N -1.150 121.704 122.820 0.057 0.000 2.067 20 A HA 0.068 4.395 4.320 0.012 0.000 0.217 20 A C 1.429 179.051 177.584 0.063 0.000 1.156 20 A CA 2.111 54.190 52.037 0.071 0.000 0.683 20 A CB -1.131 17.900 19.000 0.052 0.000 0.808 20 A HN 0.865 nan 8.150 nan 0.000 0.455 21 T N -5.887 108.708 114.554 0.069 0.000 3.040 21 T HA 0.356 4.714 4.350 0.012 0.000 0.266 21 T C -0.176 174.590 174.700 0.111 0.000 1.005 21 T CA -0.178 61.967 62.100 0.075 0.000 0.906 21 T CB -0.192 68.721 68.868 0.074 0.000 1.082 21 T HN 0.263 nan 8.240 nan 0.000 0.531 22 Y N 0.233 120.516 120.300 -0.029 0.000 2.396 22 Y HA 0.583 5.141 4.550 0.012 0.000 0.332 22 Y C -1.471 174.378 175.900 -0.085 0.000 1.034 22 Y CA -1.471 56.601 58.100 -0.047 0.000 1.057 22 Y CB 1.742 40.169 38.460 -0.055 0.000 1.220 22 Y HN 0.290 nan 8.280 nan 0.000 0.440 23 c N 6.778 125.078 118.600 -0.499 0.000 2.783 23 c HA 0.405 4.982 4.570 0.012 0.000 0.312 23 c C -1.183 172.655 174.090 -0.420 0.000 1.182 23 c CA -0.810 55.337 56.329 -0.304 0.000 1.432 23 c CB 0.771 43.211 42.510 -0.116 0.000 1.933 23 c HN 0.927 nan 8.230 nan 0.000 0.473 24 D N 3.027 123.344 120.400 -0.139 0.000 2.399 24 D HA 0.384 5.032 4.640 0.012 0.000 0.241 24 D C -0.115 176.144 176.300 -0.069 0.000 1.133 24 D CA 0.320 54.279 54.000 -0.068 0.000 0.890 24 D CB 1.169 42.012 40.800 0.071 0.000 1.201 24 D HN 0.740 nan 8.370 nan 0.000 0.432 25 S N 0.172 115.823 115.700 -0.081 0.000 2.671 25 S HA 0.543 5.020 4.470 0.012 0.000 0.277 25 S C -0.658 173.885 174.600 -0.095 0.000 1.165 25 S CA -1.078 57.110 58.200 -0.021 0.000 0.822 25 S CB 0.727 63.931 63.200 0.008 0.000 1.150 25 S HN 0.346 nan 8.310 nan 0.000 0.479 26 F N 1.560 121.543 119.950 0.055 0.000 2.471 26 F HA 0.362 4.896 4.527 0.012 0.000 0.353 26 F C 0.748 176.604 175.800 0.093 0.000 1.113 26 F CA 0.475 58.522 58.000 0.078 0.000 1.262 26 F CB 0.694 39.716 39.000 0.038 0.000 1.146 26 F HN 0.657 nan 8.300 nan 0.000 0.578 27 D N 5.633 126.195 120.400 0.271 0.000 2.493 27 D HA 0.262 4.909 4.640 0.012 0.000 0.235 27 D C -2.508 174.068 176.300 0.460 0.000 1.117 27 D CA -2.079 52.083 54.000 0.272 0.000 0.930 27 D CB 0.440 41.315 40.800 0.125 0.000 1.010 27 D HN 0.052 nan 8.370 nan 0.000 0.514 28 P HA 0.344 nan 4.420 nan 0.000 0.277 28 P C -2.424 175.025 177.300 0.250 0.000 1.240 28 P CA -1.125 62.166 63.100 0.318 0.000 0.798 28 P CB 0.331 32.151 31.700 0.199 0.000 0.979 34 L N -1.911 119.360 121.223 0.081 0.000 2.354 34 L HA 0.807 5.154 4.340 0.012 0.000 0.264 34 L C 1.536 178.452 176.870 0.077 0.000 1.008 34 L CA 0.057 54.956 54.840 0.098 0.000 0.819 34 L CB 0.565 42.669 42.059 0.076 0.000 1.339 34 L HN 2.746 nan 8.230 nan 0.000 0.420 35 G N 0.987 109.845 108.800 0.096 0.000 2.352 35 G HA2 -0.057 3.910 3.960 0.012 0.000 0.295 35 G HA3 -0.057 3.910 3.960 0.012 0.000 0.295 35 G C 0.479 175.426 174.900 0.078 0.000 0.991 35 G CA 1.539 46.692 45.100 0.088 0.000 0.796 35 G HN 2.561 nan 8.290 nan 0.000 0.511 36 T N -2.096 112.508 114.554 0.082 0.000 2.950 36 T HA 0.781 5.138 4.350 0.012 0.000 0.288 36 T C -0.139 174.640 174.700 0.132 0.000 1.035 36 T CA -0.574 61.540 62.100 0.023 0.000 1.028 36 T CB 2.232 71.056 68.868 -0.075 0.000 1.109 36 T HN 1.237 nan 8.240 nan 0.000 0.514 37 F N -0.588 119.395 119.950 0.055 0.000 2.556 37 F HA 0.853 5.387 4.527 0.012 0.000 0.327 37 F C -0.390 175.461 175.800 0.084 0.000 1.059 37 F CA -1.218 56.856 58.000 0.122 0.000 0.953 37 F CB 1.334 40.389 39.000 0.093 0.000 1.227 37 F HN 0.549 nan 8.300 nan 0.000 0.478 38 S N 1.901 117.778 115.700 0.294 0.000 2.525 38 S HA 0.553 5.030 4.470 0.012 0.000 0.290 38 S C -0.774 173.938 174.600 0.186 0.000 1.152 38 S CA -0.840 57.414 58.200 0.091 0.000 1.072 38 S CB 1.114 64.351 63.200 0.061 0.000 1.027 38 S HN 0.749 nan 8.310 nan 0.000 0.500 39 R N 2.349 122.792 120.500 -0.094 0.000 2.513 39 R HA 0.386 4.734 4.340 0.012 0.000 0.301 39 R C -1.922 174.085 176.300 -0.488 0.000 0.968 39 R CA -0.439 55.485 56.100 -0.294 0.000 0.872 39 R CB 0.745 30.925 30.300 -0.200 0.000 1.177 39 R HN 0.610 nan 8.270 nan 0.000 0.444 40 Y N 1.812 121.905 120.300 -0.344 0.000 2.342 40 Y HA 0.306 4.863 4.550 0.013 0.000 0.334 40 Y C 0.144 176.006 175.900 -0.063 0.000 1.067 40 Y CA -0.379 57.629 58.100 -0.153 0.000 1.128 40 Y CB 1.758 40.147 38.460 -0.119 0.000 1.200 40 Y HN 0.572 nan 8.280 nan 0.000 0.464 41 E N 1.432 121.710 120.200 0.130 0.000 2.272 41 E HA 0.684 5.041 4.350 0.012 0.000 0.269 41 E C -1.588 175.190 176.600 0.295 0.000 0.877 41 E CA -0.630 55.853 56.400 0.138 0.000 0.755 41 E CB 1.388 31.011 29.700 -0.128 0.000 1.192 41 E HN 0.575 nan 8.360 nan 0.000 0.422 42 S N 1.844 117.751 115.700 0.345 0.000 2.538 42 S HA 0.561 5.038 4.470 0.012 0.000 0.288 42 S C -0.999 173.794 174.600 0.321 0.000 1.108 42 S CA -0.768 57.639 58.200 0.344 0.000 0.971 42 S CB 1.769 65.270 63.200 0.502 0.000 1.041 42 S HN 0.639 nan 8.310 nan 0.000 0.483 43 T N -0.778 113.825 114.554 0.081 0.000 2.907 43 T HA 0.514 4.871 4.350 0.012 0.000 0.292 43 T C 0.816 174.922 174.700 -0.990 0.000 1.043 43 T CA -0.982 60.972 62.100 -0.243 0.000 1.003 43 T CB 1.772 70.561 68.868 -0.131 0.000 1.084 43 T HN 0.464 nan 8.240 nan 0.000 0.483 44 R N 0.933 120.534 120.500 -1.498 0.000 2.117 44 R HA -0.132 4.216 4.340 0.012 0.000 0.243 44 R C 2.359 178.295 176.300 -0.607 0.000 1.143 44 R CA 2.118 57.303 56.100 -1.524 0.000 0.968 44 R CB -0.634 29.006 30.300 -1.100 0.000 0.863 44 R HN 0.824 nan 8.270 nan 0.000 0.444 45 S N -1.646 113.829 115.700 -0.376 0.000 2.537 45 S HA 0.017 4.494 4.470 0.012 0.000 0.240 45 S C 1.259 175.764 174.600 -0.158 0.000 0.981 45 S CA 0.957 59.039 58.200 -0.196 0.000 0.948 45 S CB 0.352 63.476 63.200 -0.127 0.000 0.759 45 S HN 0.635 nan 8.310 nan 0.000 0.531 46 G N 0.493 109.179 108.800 -0.189 0.000 2.367 46 G HA2 -0.139 3.829 3.960 0.012 0.000 0.181 46 G HA3 -0.139 3.829 3.960 0.012 0.000 0.181 46 G C 0.045 174.891 174.900 -0.090 0.000 1.000 46 G CA -0.544 44.489 45.100 -0.111 0.000 0.693 46 G HN 0.498 nan 8.290 nan 0.000 0.480 47 R N 0.624 121.076 120.500 -0.080 0.000 2.537 47 R HA 0.498 4.845 4.340 0.012 0.000 0.280 47 R C -0.312 175.973 176.300 -0.024 0.000 1.058 47 R CA 0.025 56.102 56.100 -0.039 0.000 1.057 47 R CB 0.411 30.708 30.300 -0.006 0.000 0.973 47 R HN 0.023 nan 8.270 nan 0.000 0.438 48 R N 3.878 124.340 120.500 -0.064 0.000 2.467 48 R HA 0.186 4.534 4.340 0.012 0.000 0.299 48 R C 0.144 176.438 176.300 -0.010 0.000 1.120 48 R CA -0.520 55.482 56.100 -0.164 0.000 0.940 48 R CB 1.127 31.147 30.300 -0.466 0.000 1.161 48 R HN 0.770 nan 8.270 nan 0.000 0.506 49 M N 0.515 120.232 119.600 0.195 0.000 2.210 49 M HA -0.262 4.226 4.480 0.012 0.000 0.198 49 M C -0.432 176.007 176.300 0.233 0.000 0.319 49 M CA 1.240 56.716 55.300 0.292 0.000 0.399 49 M CB -1.490 31.320 32.600 0.350 0.000 1.227 49 M HN 0.445 nan 8.290 nan 0.000 0.931 50 E N 1.129 121.392 120.200 0.104 0.000 2.376 50 E HA 0.281 4.638 4.350 0.012 0.000 0.266 50 E C -0.189 176.328 176.600 -0.137 0.000 1.009 50 E CA -0.394 55.999 56.400 -0.011 0.000 0.902 50 E CB 0.854 30.532 29.700 -0.038 0.000 0.972 50 E HN 0.269 nan 8.360 nan 0.000 0.439 51 L N 3.423 124.502 121.223 -0.240 0.000 2.326 51 L HA 0.286 4.633 4.340 0.012 0.000 0.278 51 L C -0.353 176.321 176.870 -0.328 0.000 1.092 51 L CA 0.405 54.938 54.840 -0.510 0.000 0.810 51 L CB 0.986 42.803 42.059 -0.403 0.000 1.153 51 L HN 0.585 nan 8.230 nan 0.000 0.439 52 S N 4.415 119.902 115.700 -0.355 0.000 2.705 52 S HA 0.861 5.339 4.470 0.012 0.000 0.280 52 S C -0.815 173.623 174.600 -0.270 0.000 1.174 52 S CA -1.030 57.026 58.200 -0.241 0.000 0.823 52 S CB 1.384 64.476 63.200 -0.180 0.000 1.162 52 S HN 0.607 nan 8.310 nan 0.000 0.487 53 M N 0.056 119.489 119.600 -0.278 0.000 2.575 53 M HA 0.758 5.245 4.480 0.012 0.000 0.284 53 M C -0.132 175.820 176.300 -0.581 0.000 1.253 53 M CA -0.469 54.569 55.300 -0.436 0.000 0.861 53 M CB 2.700 35.119 32.600 -0.301 0.000 1.733 53 M HN 1.112 nan 8.290 nan 0.000 0.462 54 G N 0.723 108.865 108.800 -1.097 0.000 2.687 54 G HA2 0.852 4.820 3.960 0.012 0.000 0.291 54 G HA3 0.852 4.820 3.960 0.012 0.000 0.291 54 G C -3.378 171.176 174.900 -0.577 0.000 1.420 54 G CA -1.065 43.545 45.100 -0.816 0.000 0.796 54 G HN 0.369 nan 8.290 nan 0.000 0.485 55 P HA 0.505 nan 4.420 nan 0.000 0.292 55 P C -0.632 176.771 177.300 0.173 0.000 1.283 55 P CA -0.507 62.600 63.100 0.013 0.000 0.835 55 P CB 2.118 33.830 31.700 0.019 0.000 1.017 56 I N 3.146 123.796 120.570 0.134 0.000 2.352 56 I HA 0.150 4.327 4.170 0.012 0.000 0.290 56 I C 1.021 177.182 176.117 0.075 0.000 1.036 56 I CA -0.342 61.009 61.300 0.084 0.000 1.336 56 I CB 0.618 38.622 38.000 0.007 0.000 1.407 56 I HN 0.143 nan 8.210 nan 0.000 0.497 57 Q N 4.541 124.401 119.800 0.100 0.000 2.227 57 Q HA 0.396 4.743 4.340 0.012 0.000 0.245 57 Q C 0.687 176.802 176.000 0.192 0.000 0.926 57 Q CA -0.391 55.487 55.803 0.125 0.000 0.895 57 Q CB 1.810 30.623 28.738 0.126 0.000 1.230 57 Q HN 0.810 nan 8.270 nan 0.000 0.450 58 A N 1.768 124.681 122.820 0.155 0.000 1.930 58 A HA 0.024 4.351 4.320 0.012 0.000 0.215 58 A C 1.014 178.768 177.584 0.283 0.000 1.176 58 A CA 1.552 53.701 52.037 0.186 0.000 0.632 58 A CB -0.490 18.574 19.000 0.107 0.000 0.819 58 A HN 0.842 nan 8.150 nan 0.000 0.445 59 N N -1.667 117.113 118.700 0.134 0.000 2.453 59 N HA 0.607 5.354 4.740 0.012 0.000 0.290 59 N C -0.894 174.355 175.510 -0.436 0.000 1.250 59 N CA -0.059 52.951 53.050 -0.066 0.000 0.815 59 N CB 0.942 39.393 38.487 -0.060 0.000 1.381 59 N HN 0.603 nan 8.380 nan 0.000 0.510 60 H N -0.971 117.589 119.070 -0.851 0.000 2.954 60 H HA 0.700 5.263 4.556 0.012 0.000 0.361 60 H C -1.456 173.609 175.328 -0.439 0.000 1.122 60 H CA -0.151 55.423 56.048 -0.790 0.000 1.217 60 H CB 1.913 30.856 29.762 -1.365 0.000 1.776 60 H HN 0.694 nan 8.280 nan 0.000 0.533 61 T N 2.976 116.951 114.554 -0.966 0.000 2.912 61 T HA 0.753 5.110 4.350 0.012 0.000 0.299 61 T C -0.327 173.911 174.700 -0.770 0.000 1.052 61 T CA -0.198 61.480 62.100 -0.703 0.000 0.996 61 T CB 1.590 70.255 68.868 -0.339 0.000 1.070 61 T HN 1.148 nan 8.240 nan 0.000 0.465 62 G N 0.686 109.202 108.800 -0.473 0.000 2.351 62 G HA2 0.292 4.259 3.960 0.012 0.000 0.353 62 G HA3 0.292 4.259 3.960 0.012 0.000 0.353 62 G C 0.101 174.947 174.900 -0.090 0.000 1.358 62 G CA -0.051 44.913 45.100 -0.226 0.000 0.995 62 G HN 1.012 nan 8.290 nan 0.000 0.611 63 T N -1.550 112.990 114.554 -0.023 0.000 3.186 63 T HA 0.552 4.910 4.350 0.012 0.000 0.257 63 T C 1.253 175.979 174.700 0.044 0.000 1.029 63 T CA 1.029 63.138 62.100 0.015 0.000 0.916 63 T CB 0.319 69.187 68.868 0.001 0.000 1.041 63 T HN 1.632 nan 8.240 nan 0.000 0.562 64 G N 1.609 110.454 108.800 0.074 0.000 2.634 64 G HA2 0.454 4.421 3.960 0.012 0.000 0.255 64 G HA3 0.454 4.421 3.960 0.012 0.000 0.255 64 G C -0.136 174.796 174.900 0.053 0.000 1.205 64 G CA -0.909 44.228 45.100 0.061 0.000 0.884 64 G HN 0.501 nan 8.290 nan 0.000 0.549 65 L N 0.110 121.345 121.223 0.020 0.000 2.700 65 L HA 0.186 4.534 4.340 0.012 0.000 0.276 65 L C -0.147 176.708 176.870 -0.025 0.000 1.200 65 L CA 0.078 54.919 54.840 0.002 0.000 0.951 65 L CB 0.081 42.135 42.059 -0.008 0.000 1.226 65 L HN 0.341 nan 8.230 nan 0.000 0.489 66 L N 6.535 127.747 121.223 -0.019 0.000 2.322 66 L HA 0.556 4.903 4.340 0.012 0.000 0.281 66 L C -1.132 175.716 176.870 -0.036 0.000 1.014 66 L CA -0.255 54.554 54.840 -0.052 0.000 0.815 66 L CB 1.404 43.457 42.059 -0.010 0.000 1.247 66 L HN 0.545 nan 8.230 nan 0.000 0.421 67 L N 4.901 126.086 121.223 -0.063 0.000 2.287 67 L HA 0.511 4.858 4.340 0.012 0.000 0.287 67 L C -0.330 176.517 176.870 -0.038 0.000 1.022 67 L CA -0.438 54.378 54.840 -0.041 0.000 0.814 67 L CB 1.595 43.624 42.059 -0.050 0.000 1.217 67 L HN 0.588 nan 8.230 nan 0.000 0.420 68 T N 4.154 118.702 114.554 -0.009 0.000 2.756 68 T HA 0.396 4.753 4.350 0.012 0.000 0.290 68 T C 0.023 174.734 174.700 0.019 0.000 0.985 68 T CA -0.539 61.556 62.100 -0.007 0.000 0.955 68 T CB 1.110 69.982 68.868 0.007 0.000 0.930 68 T HN 0.177 nan 8.240 nan 0.000 0.451 69 L N 3.721 124.964 121.223 0.032 0.000 2.525 69 L HA 0.098 4.446 4.340 0.012 0.000 0.278 69 L C 0.796 177.697 176.870 0.053 0.000 1.218 69 L CA 0.890 55.770 54.840 0.067 0.000 0.878 69 L CB 0.250 42.378 42.059 0.114 0.000 1.127 69 L HN 0.616 nan 8.230 nan 0.000 0.492 70 Q N 5.936 125.776 119.800 0.068 0.000 2.700 70 Q HA 0.236 4.583 4.340 0.012 0.000 0.249 70 Q C -1.670 174.366 176.000 0.061 0.000 1.033 70 Q CA -1.491 54.349 55.803 0.061 0.000 0.804 70 Q CB 1.100 29.883 28.738 0.074 0.000 1.164 70 Q HN 0.443 nan 8.270 nan 0.000 0.500 71 P HA -0.189 nan 4.420 nan 0.000 0.230 71 P C 0.748 178.059 177.300 0.018 0.000 1.158 71 P CA 1.119 64.242 63.100 0.039 0.000 0.769 71 P CB 0.456 32.178 31.700 0.038 0.000 0.807 72 E N -0.477 119.728 120.200 0.009 0.000 2.415 72 E HA -0.023 4.335 4.350 0.012 0.000 0.197 72 E C 0.468 177.035 176.600 -0.055 0.000 1.007 72 E CA 0.347 56.738 56.400 -0.015 0.000 0.890 72 E CB -0.480 29.215 29.700 -0.008 0.000 0.891 72 E HN 0.259 nan 8.360 nan 0.000 0.496 73 Q N 1.904 121.671 119.800 -0.056 0.000 2.324 73 Q HA 0.182 4.529 4.340 0.012 0.000 0.257 73 Q C -0.426 175.407 176.000 -0.279 0.000 1.080 73 Q CA 0.302 55.997 55.803 -0.180 0.000 0.907 73 Q CB 0.924 29.635 28.738 -0.044 0.000 1.274 73 Q HN 0.025 nan 8.270 nan 0.000 0.434 74 K N 3.409 123.560 120.400 -0.415 0.000 2.274 74 K HA 0.447 4.775 4.320 0.012 0.000 0.262 74 K C -0.347 175.965 176.600 -0.480 0.000 0.961 74 K CA -0.283 55.836 56.287 -0.280 0.000 0.833 74 K CB 1.026 33.445 32.500 -0.135 0.000 1.102 74 K HN 0.299 nan 8.250 nan 0.000 0.436 75 F N 0.530 120.500 119.950 0.032 0.000 3.022 75 F HA 0.179 4.713 4.527 0.012 0.000 0.193 75 F C 1.194 177.026 175.800 0.053 0.000 1.462 75 F CA -0.491 57.538 58.000 0.048 0.000 0.914 75 F CB -0.119 38.883 39.000 0.002 0.000 2.028 75 F HN 0.327 nan 8.300 nan 0.000 0.451 76 Q N 2.119 122.085 119.800 0.277 0.000 2.306 76 Q HA 0.288 4.635 4.340 0.012 0.000 0.241 76 Q C -1.374 174.696 176.000 0.116 0.000 0.948 76 Q CA -0.374 55.530 55.803 0.168 0.000 0.886 76 Q CB 1.243 30.068 28.738 0.144 0.000 1.227 76 Q HN 0.476 nan 8.270 nan 0.000 0.457 77 K N 1.001 121.455 120.400 0.089 0.000 2.174 77 K HA 0.388 4.716 4.320 0.012 0.000 0.275 77 K C -0.611 176.014 176.600 0.041 0.000 1.015 77 K CA -0.681 55.641 56.287 0.059 0.000 0.933 77 K CB 1.561 34.088 32.500 0.046 0.000 1.025 77 K HN 0.395 nan 8.250 nan 0.000 0.463 78 V N 3.668 123.591 119.914 0.014 0.000 2.432 78 V HA 0.020 4.147 4.120 0.012 0.000 0.275 78 V C 1.147 177.199 176.094 -0.069 0.000 1.043 78 V CA -0.146 62.138 62.300 -0.027 0.000 0.925 78 V CB 1.247 33.066 31.823 -0.006 0.000 0.985 78 V HN 0.733 nan 8.190 nan 0.000 0.466 79 K N 3.788 124.129 120.400 -0.098 0.000 2.021 79 K HA 0.315 4.642 4.320 0.012 0.000 0.205 79 K C 0.722 177.181 176.600 -0.235 0.000 1.047 79 K CA 1.560 57.738 56.287 -0.181 0.000 0.943 79 K CB -0.233 32.170 32.500 -0.161 0.000 0.725 79 K HN 1.023 nan 8.250 nan 0.000 0.439 80 G N -2.214 106.392 108.800 -0.323 0.000 2.350 80 G HA2 0.246 4.213 3.960 0.012 0.000 0.282 80 G HA3 0.246 4.213 3.960 0.012 0.000 0.282 80 G C -1.516 172.958 174.900 -0.710 0.000 1.314 80 G CA -0.797 44.072 45.100 -0.385 0.000 0.915 80 G HN 0.026 nan 8.290 nan 0.000 0.499 81 F N -0.116 119.789 119.950 -0.076 0.000 2.588 81 F HA 0.864 5.398 4.527 0.012 0.000 0.310 81 F C 0.815 176.343 175.800 -0.452 0.000 1.082 81 F CA 0.405 58.295 58.000 -0.184 0.000 0.929 81 F CB 2.405 41.322 39.000 -0.139 0.000 1.254 81 F HN 1.198 nan 8.300 nan 0.000 0.455 82 G N -0.127 108.362 108.800 -0.518 0.000 2.510 82 G HA2 0.625 4.593 3.960 0.012 0.000 0.277 82 G HA3 0.625 4.593 3.960 0.012 0.000 0.277 82 G C -1.260 173.201 174.900 -0.732 0.000 1.223 82 G CA -0.071 44.415 45.100 -1.023 0.000 0.887 82 G HN 1.056 nan 8.290 nan 0.000 0.485 83 G N -1.675 106.942 108.800 -0.305 0.000 2.749 83 G HA2 0.777 4.744 3.960 0.012 0.000 0.300 83 G HA3 0.777 4.744 3.960 0.012 0.000 0.300 83 G C -1.199 173.738 174.900 0.062 0.000 1.352 83 G CA 0.447 45.512 45.100 -0.059 0.000 0.789 83 G HN 1.710 nan 8.290 nan 0.000 0.509 84 A N -0.375 122.494 122.820 0.082 0.000 2.304 84 A HA 0.653 4.981 4.320 0.012 0.000 0.323 84 A C -0.263 177.325 177.584 0.006 0.000 1.195 84 A CA -0.604 51.503 52.037 0.117 0.000 0.826 84 A CB 1.354 20.515 19.000 0.268 0.000 1.184 84 A HN 0.734 nan 8.150 nan 0.000 0.496 85 M N 3.876 123.518 119.600 0.071 0.000 3.117 85 M HA 0.223 4.711 4.480 0.012 0.000 0.292 85 M C 0.626 176.936 176.300 0.016 0.000 1.357 85 M CA -0.180 55.146 55.300 0.044 0.000 1.463 85 M CB -0.679 31.981 32.600 0.099 0.000 1.105 85 M HN 0.766 nan 8.290 nan 0.000 0.553 86 T N -1.155 113.325 114.554 -0.124 0.000 2.766 86 T HA 0.228 4.586 4.350 0.012 0.000 0.295 86 T C 0.834 175.507 174.700 -0.044 0.000 1.024 86 T CA -0.593 61.415 62.100 -0.153 0.000 1.018 86 T CB 0.670 69.283 68.868 -0.424 0.000 1.002 86 T HN 0.495 nan 8.240 nan 0.000 0.532 87 D N 1.097 121.502 120.400 0.008 0.000 2.116 87 D HA -0.121 4.527 4.640 0.012 0.000 0.193 87 D C 2.371 178.695 176.300 0.040 0.000 0.998 87 D CA 1.913 55.946 54.000 0.055 0.000 0.836 87 D CB -0.922 39.938 40.800 0.100 0.000 0.951 87 D HN 0.750 nan 8.370 nan 0.000 0.449 88 A N 0.996 123.844 122.820 0.047 0.000 1.902 88 A HA -0.071 4.257 4.320 0.012 0.000 0.217 88 A C 2.337 179.925 177.584 0.007 0.000 1.181 88 A CA 2.490 54.571 52.037 0.073 0.000 0.623 88 A CB -0.845 18.281 19.000 0.211 0.000 0.818 88 A HN 0.249 nan 8.150 nan 0.000 0.443 89 A N -0.129 122.651 122.820 -0.067 0.000 1.883 89 A HA 0.111 4.438 4.320 0.012 0.000 0.217 89 A C 2.530 180.105 177.584 -0.015 0.000 1.186 89 A CA 2.326 54.326 52.037 -0.063 0.000 0.624 89 A CB -1.086 17.854 19.000 -0.101 0.000 0.822 89 A HN 1.104 nan 8.150 nan 0.000 0.444 90 A N -0.519 122.300 122.820 -0.001 0.000 1.902 90 A HA -0.015 4.312 4.320 0.012 0.000 0.217 90 A C 2.167 179.759 177.584 0.013 0.000 1.181 90 A CA 1.523 53.569 52.037 0.015 0.000 0.623 90 A CB -0.586 18.432 19.000 0.030 0.000 0.818 90 A HN 0.463 nan 8.150 nan 0.000 0.443 91 L N -0.192 121.043 121.223 0.019 0.000 2.141 91 L HA -0.160 4.187 4.340 0.012 0.000 0.209 91 L C 2.341 179.218 176.870 0.012 0.000 1.094 91 L CA 0.949 55.801 54.840 0.020 0.000 0.763 91 L CB -0.491 41.587 42.059 0.032 0.000 0.908 91 L HN 0.391 nan 8.230 nan 0.000 0.437 92 N N 0.219 118.924 118.700 0.008 0.000 2.142 92 N HA -0.112 4.635 4.740 0.012 0.000 0.186 92 N C 1.951 177.450 175.510 -0.020 0.000 1.023 92 N CA 1.414 54.463 53.050 -0.002 0.000 0.852 92 N CB -0.062 38.424 38.487 -0.002 0.000 0.998 92 N HN 0.316 nan 8.380 nan 0.000 0.424 93 I N 1.193 121.748 120.570 -0.026 0.000 2.252 93 I HA -0.182 3.995 4.170 0.012 0.000 0.245 93 I C 1.810 177.906 176.117 -0.035 0.000 1.102 93 I CA 0.764 62.033 61.300 -0.052 0.000 1.385 93 I CB -0.123 37.856 38.000 -0.035 0.000 1.064 93 I HN 0.024 nan 8.210 nan 0.000 0.414 94 L N 0.486 121.701 121.223 -0.013 0.000 2.622 94 L HA -0.040 4.307 4.340 0.012 0.000 0.233 94 L C 2.276 179.145 176.870 -0.001 0.000 1.156 94 L CA 0.284 55.121 54.840 -0.004 0.000 0.866 94 L CB -0.449 41.611 42.059 0.003 0.000 0.980 94 L HN 0.213 nan 8.230 nan 0.000 0.448 95 A N -0.543 122.275 122.820 -0.002 0.000 2.238 95 A HA 0.234 4.562 4.320 0.012 0.000 0.210 95 A C 1.009 178.597 177.584 0.006 0.000 1.179 95 A CA -0.088 51.951 52.037 0.004 0.000 0.827 95 A CB -0.005 18.999 19.000 0.007 0.000 0.856 95 A HN 0.228 nan 8.150 nan 0.000 0.488 96 L N 0.939 122.162 121.223 0.000 0.000 2.439 96 L HA 0.237 4.584 4.340 0.012 0.000 0.261 96 L C 1.143 178.023 176.870 0.016 0.000 1.153 96 L CA -0.459 54.389 54.840 0.013 0.000 0.808 96 L CB 1.046 43.108 42.059 0.006 0.000 1.126 96 L HN 0.381 nan 8.230 nan 0.000 0.460 97 S N 0.684 116.401 115.700 0.027 0.000 2.579 97 S HA 0.133 4.610 4.470 0.012 0.000 0.275 97 S C -1.924 172.691 174.600 0.024 0.000 1.345 97 S CA -1.002 57.212 58.200 0.025 0.000 1.031 97 S CB 0.772 63.990 63.200 0.029 0.000 0.892 97 S HN 0.410 nan 8.310 nan 0.000 0.529 98 P HA -0.003 nan 4.420 nan 0.000 0.218 98 P C -1.609 175.705 177.300 0.024 0.000 1.148 98 P CA 1.115 64.225 63.100 0.017 0.000 0.822 98 P CB -1.067 30.641 31.700 0.014 0.000 0.784 99 P HA -0.086 nan 4.420 nan 0.000 0.216 99 P C 1.458 178.797 177.300 0.065 0.000 1.153 99 P CA 1.634 64.759 63.100 0.042 0.000 0.844 99 P CB -0.575 31.149 31.700 0.041 0.000 0.787 100 A N -0.141 122.729 122.820 0.084 0.000 1.930 100 A HA -0.245 4.082 4.320 0.012 0.000 0.217 100 A C 2.249 179.874 177.584 0.067 0.000 1.175 100 A CA 1.496 53.629 52.037 0.160 0.000 0.627 100 A CB -1.349 17.762 19.000 0.185 0.000 0.815 100 A HN 0.171 nan 8.150 nan 0.000 0.443 101 Q N -0.234 119.566 119.800 -0.000 0.000 2.096 101 Q HA -0.199 4.148 4.340 0.012 0.000 0.204 101 Q C 1.805 177.780 176.000 -0.041 0.000 0.982 101 Q CA 1.580 57.349 55.803 -0.058 0.000 0.850 101 Q CB -0.261 28.463 28.738 -0.023 0.000 0.901 101 Q HN 0.623 nan 8.270 nan 0.000 0.422 102 N N 0.501 119.206 118.700 0.008 0.000 2.188 102 N HA -0.088 4.660 4.740 0.012 0.000 0.184 102 N C 1.835 177.368 175.510 0.038 0.000 1.018 102 N CA 0.880 53.946 53.050 0.027 0.000 0.858 102 N CB -0.193 38.315 38.487 0.034 0.000 0.989 102 N HN 0.214 nan 8.380 nan 0.000 0.426 103 L N 0.644 121.904 121.223 0.063 0.000 2.042 103 L HA -0.129 4.219 4.340 0.012 0.000 0.210 103 L C 2.375 179.291 176.870 0.077 0.000 1.076 103 L CA 0.798 55.709 54.840 0.118 0.000 0.749 103 L CB -0.406 41.786 42.059 0.222 0.000 0.893 103 L HN 0.160 nan 8.230 nan 0.000 0.432 104 L N -0.436 120.681 121.223 -0.177 0.000 2.056 104 L HA -0.199 4.148 4.340 0.012 0.000 0.207 104 L C 2.444 179.223 176.870 -0.151 0.000 1.078 104 L CA 1.253 55.770 54.840 -0.538 0.000 0.749 104 L CB -0.030 41.426 42.059 -1.004 0.000 0.901 104 L HN 0.177 nan 8.230 nan 0.000 0.433 105 L N -0.419 120.810 121.223 0.011 0.000 2.093 105 L HA -0.201 4.146 4.340 0.012 0.000 0.208 105 L C 2.560 179.581 176.870 0.251 0.000 1.085 105 L CA 1.236 56.213 54.840 0.227 0.000 0.755 105 L CB -0.434 41.737 42.059 0.188 0.000 0.904 105 L HN 0.213 nan 8.230 nan 0.000 0.435 106 K N -0.334 120.145 120.400 0.131 0.000 2.097 106 K HA -0.102 4.225 4.320 0.012 0.000 0.205 106 K C 2.302 178.953 176.600 0.086 0.000 1.050 106 K CA 1.327 57.685 56.287 0.120 0.000 0.938 106 K CB -0.119 32.431 32.500 0.083 0.000 0.718 106 K HN 0.104 nan 8.250 nan 0.000 0.442 107 S N 0.311 116.030 115.700 0.031 0.000 2.372 107 S HA -0.197 4.280 4.470 0.012 0.000 0.227 107 S C 1.783 176.386 174.600 0.005 0.000 1.044 107 S CA 1.480 59.684 58.200 0.007 0.000 1.050 107 S CB -0.342 62.725 63.200 -0.220 0.000 0.901 107 S HN 0.335 nan 8.310 nan 0.000 0.447 108 Y N -1.052 119.162 120.300 -0.144 0.000 2.231 108 Y HA 0.053 4.611 4.550 0.012 0.000 0.294 108 Y C 1.788 177.256 175.900 -0.720 0.000 1.120 108 Y CA 0.848 58.538 58.100 -0.684 0.000 1.141 108 Y CB -0.005 37.844 38.460 -1.018 0.000 1.022 108 Y HN 0.215 nan 8.280 nan 0.000 0.523 109 F N -1.313 118.704 119.950 0.111 0.000 2.694 109 F HA 0.090 4.625 4.527 0.013 0.000 0.292 109 F C 1.423 177.251 175.800 0.048 0.000 1.121 109 F CA -0.221 57.835 58.000 0.093 0.000 1.352 109 F CB 0.013 39.075 39.000 0.103 0.000 1.107 109 F HN -0.199 nan 8.300 nan 0.000 0.597 110 S N 0.007 115.814 115.700 0.178 0.000 2.681 110 S HA 0.111 4.588 4.470 0.012 0.000 0.270 110 S C 1.334 175.954 174.600 0.032 0.000 1.209 110 S CA 0.087 58.351 58.200 0.106 0.000 0.988 110 S CB 1.291 64.548 63.200 0.096 0.000 1.006 110 S HN 0.205 nan 8.310 nan 0.000 0.558 111 E N -0.674 119.539 120.200 0.021 0.000 2.274 111 E HA -0.064 4.293 4.350 0.012 0.000 0.194 111 E C 1.280 177.879 176.600 -0.002 0.000 0.996 111 E CA 1.163 57.550 56.400 -0.022 0.000 0.840 111 E CB -1.201 28.501 29.700 0.003 0.000 0.772 111 E HN 0.857 nan 8.360 nan 0.000 0.491 112 E N 0.378 120.614 120.200 0.060 0.000 2.427 112 E HA 0.166 4.523 4.350 0.012 0.000 0.196 112 E C 1.254 177.978 176.600 0.206 0.000 1.028 112 E CA 0.483 56.965 56.400 0.138 0.000 0.864 112 E CB 0.317 30.080 29.700 0.105 0.000 0.813 112 E HN 0.556 nan 8.360 nan 0.000 0.514 113 G N 0.995 109.855 108.800 0.101 0.000 3.019 113 G HA2 0.307 4.275 3.960 0.012 0.000 0.152 113 G HA3 0.307 4.275 3.960 0.012 0.000 0.152 113 G C 0.652 175.475 174.900 -0.128 0.000 1.320 113 G CA -0.468 44.700 45.100 0.113 0.000 1.013 113 G HN 0.179 nan 8.290 nan 0.000 0.593 114 I N -2.324 118.120 120.570 -0.209 0.000 3.904 114 I HA 0.479 4.657 4.170 0.012 0.000 0.333 114 I C 1.230 177.158 176.117 -0.315 0.000 1.361 114 I CA 0.293 61.343 61.300 -0.416 0.000 1.116 114 I CB 0.328 38.001 38.000 -0.544 0.000 1.028 114 I HN 0.768 nan 8.210 nan 0.000 0.398 115 G N 1.192 109.877 108.800 -0.192 0.000 2.249 115 G HA2 -0.327 3.640 3.960 0.012 0.000 0.273 115 G HA3 -0.327 3.640 3.960 0.012 0.000 0.273 115 G C 0.089 175.050 174.900 0.102 0.000 1.036 115 G CA -0.057 45.005 45.100 -0.064 0.000 0.824 115 G HN 0.649 nan 8.290 nan 0.000 0.504 116 Y N 0.297 120.512 120.300 -0.143 0.000 2.903 116 Y HA -0.012 4.545 4.550 0.012 0.000 0.338 116 Y C 1.689 177.665 175.900 0.125 0.000 1.265 116 Y CA 0.680 58.724 58.100 -0.095 0.000 1.532 116 Y CB 0.488 38.652 38.460 -0.494 0.000 1.293 116 Y HN 0.486 nan 8.280 nan 0.000 0.609 117 N N 2.953 121.787 118.700 0.224 0.000 2.240 117 N HA 0.186 4.934 4.740 0.012 0.000 0.240 117 N C -0.965 174.601 175.510 0.093 0.000 1.277 117 N CA 0.135 53.288 53.050 0.171 0.000 0.873 117 N CB 0.301 38.828 38.487 0.067 0.000 1.222 117 N HN 0.476 nan 8.380 nan 0.000 0.507 118 I N 1.175 121.806 120.570 0.102 0.000 2.619 118 I HA 0.471 4.648 4.170 0.012 0.000 0.292 118 I C -0.908 175.298 176.117 0.149 0.000 1.100 118 I CA -0.815 60.533 61.300 0.081 0.000 1.043 118 I CB 2.466 40.504 38.000 0.064 0.000 1.239 118 I HN -0.146 nan 8.210 nan 0.000 0.420 119 I N 5.397 126.068 120.570 0.170 0.000 2.447 119 I HA 0.425 4.602 4.170 0.012 0.000 0.287 119 I C -0.280 175.965 176.117 0.213 0.000 1.023 119 I CA -0.596 60.815 61.300 0.186 0.000 1.083 119 I CB 2.047 40.132 38.000 0.142 0.000 1.245 119 I HN 0.517 nan 8.210 nan 0.000 0.434 120 R N 5.486 126.126 120.500 0.234 0.000 2.349 120 R HA 0.685 5.032 4.340 0.012 0.000 0.299 120 R C -1.485 175.004 176.300 0.315 0.000 1.027 120 R CA -0.365 55.917 56.100 0.302 0.000 0.958 120 R CB 1.353 31.845 30.300 0.320 0.000 1.047 120 R HN 0.457 nan 8.270 nan 0.000 0.468 121 V N 7.008 127.140 119.914 0.362 0.000 2.444 121 V HA 0.370 4.497 4.120 0.012 0.000 0.294 121 V C -2.262 174.018 176.094 0.310 0.000 1.022 121 V CA -2.201 60.307 62.300 0.347 0.000 0.850 121 V CB 1.708 33.808 31.823 0.461 0.000 0.992 121 V HN 0.843 nan 8.190 nan 0.000 0.426 122 P HA 0.289 nan 4.420 nan 0.000 0.271 122 P C -0.388 176.973 177.300 0.102 0.000 1.216 122 P CA -0.164 63.065 63.100 0.215 0.000 0.776 122 P CB 0.446 32.105 31.700 -0.070 0.000 0.881 123 M N 3.070 122.651 119.600 -0.032 0.000 2.201 123 M HA 0.421 4.908 4.480 0.012 0.000 0.345 123 M C 0.710 176.911 176.300 -0.165 0.000 1.352 123 M CA 0.205 55.381 55.300 -0.207 0.000 1.218 123 M CB -0.539 31.722 32.600 -0.565 0.000 1.512 123 M HN 0.592 nan 8.290 nan 0.000 0.447 124 A N 1.957 124.606 122.820 -0.285 0.000 5.953 124 A HA -0.169 4.158 4.320 0.012 0.000 0.267 124 A C 0.290 177.591 177.584 -0.471 0.000 2.116 124 A CA 0.470 52.176 52.037 -0.551 0.000 0.711 124 A CB -1.708 16.742 19.000 -0.916 0.000 1.100 124 A HN 0.901 nan 8.150 nan 0.000 0.364 125 S N -0.335 114.847 115.700 -0.863 0.000 2.610 125 S HA 0.650 5.127 4.470 0.012 0.000 0.273 125 S C 0.495 174.833 174.600 -0.437 0.000 1.274 125 S CA 0.163 57.912 58.200 -0.752 0.000 1.023 125 S CB 0.760 63.308 63.200 -1.087 0.000 0.962 125 S HN 2.512 nan 8.310 nan 0.000 0.523 126 C N 0.547 119.602 119.300 -0.409 0.000 3.327 126 C HA 0.659 5.127 4.460 0.012 0.000 0.366 126 C C 1.348 176.313 174.990 -0.041 0.000 2.438 126 C CA 0.032 58.774 59.018 -0.459 0.000 1.438 126 C CB 0.494 27.375 27.740 -1.431 0.000 2.876 126 C HN 0.880 nan 8.230 nan 0.000 0.483 127 D N 0.553 120.894 120.400 -0.097 0.000 2.183 127 D HA -0.085 4.562 4.640 0.012 0.000 0.203 127 D C 0.739 176.826 176.300 -0.355 0.000 0.969 127 D CA 1.005 54.812 54.000 -0.321 0.000 0.842 127 D CB -0.522 39.555 40.800 -1.205 0.000 0.957 127 D HN 0.573 nan 8.370 nan 0.000 0.484 128 F N 1.447 121.337 119.950 -0.100 0.000 2.727 128 F HA 0.246 4.779 4.527 0.011 0.000 0.349 128 F C 0.391 176.153 175.800 -0.064 0.000 1.172 128 F CA 0.093 58.032 58.000 -0.102 0.000 1.355 128 F CB -0.119 38.733 39.000 -0.248 0.000 1.546 128 F HN -0.255 nan 8.300 nan 0.000 0.596 129 S N 0.208 115.955 115.700 0.080 0.000 2.569 129 S HA 0.438 4.915 4.470 0.012 0.000 0.280 129 S C 0.903 175.586 174.600 0.138 0.000 1.111 129 S CA -0.742 57.513 58.200 0.093 0.000 0.887 129 S CB 1.698 64.897 63.200 -0.002 0.000 1.095 129 S HN 0.392 nan 8.310 nan 0.000 0.476 130 I N -0.450 120.187 120.570 0.113 0.000 3.603 130 I HA 0.336 4.514 4.170 0.012 0.000 0.297 130 I C 0.540 176.691 176.117 0.056 0.000 1.269 130 I CA 0.001 61.368 61.300 0.112 0.000 1.361 130 I CB -0.049 38.004 38.000 0.089 0.000 1.063 130 I HN 0.444 nan 8.210 nan 0.000 0.448 131 R N 0.832 121.328 120.500 -0.005 0.000 2.817 131 R HA 0.611 4.958 4.340 0.012 0.000 0.268 131 R C -0.767 175.350 176.300 -0.306 0.000 1.027 131 R CA -0.529 55.490 56.100 -0.134 0.000 0.928 131 R CB 0.644 30.933 30.300 -0.018 0.000 1.228 131 R HN 0.075 nan 8.270 nan 0.000 0.469 132 T N -0.766 113.509 114.554 -0.466 0.000 2.829 132 T HA 0.639 4.996 4.350 0.012 0.000 0.282 132 T C -0.670 173.904 174.700 -0.210 0.000 0.990 132 T CA -0.626 61.139 62.100 -0.558 0.000 1.028 132 T CB 0.636 69.057 68.868 -0.746 0.000 0.951 132 T HN 0.675 nan 8.240 nan 0.000 0.460 133 Y N -1.166 118.993 120.300 -0.235 0.000 2.620 133 Y HA 0.665 5.226 4.550 0.018 0.000 0.331 133 Y C -0.472 175.321 175.900 -0.178 0.000 1.173 133 Y CA -1.101 56.901 58.100 -0.163 0.000 1.076 133 Y CB 0.623 39.007 38.460 -0.128 0.000 1.336 133 Y HN 0.966 nan 8.280 nan 0.000 0.459 134 T N -2.256 112.287 114.554 -0.018 0.000 2.762 134 T HA 0.436 4.794 4.350 0.012 0.000 0.272 134 T C -0.281 174.450 174.700 0.053 0.000 0.982 134 T CA -0.589 61.462 62.100 -0.082 0.000 1.013 134 T CB 0.968 69.826 68.868 -0.017 0.000 1.309 134 T HN 0.767 nan 8.240 nan 0.000 0.572 135 Y N -0.162 120.237 120.300 0.165 0.000 2.511 135 Y HA 0.492 5.046 4.550 0.007 0.000 0.279 135 Y C 1.572 177.336 175.900 -0.228 0.000 1.157 135 Y CA -0.239 57.677 58.100 -0.307 0.000 1.300 135 Y CB 0.412 38.164 38.460 -1.180 0.000 1.052 135 Y HN 0.753 nan 8.280 nan 0.000 0.529 136 A N -0.229 122.786 122.820 0.325 0.000 3.266 136 A HA 0.279 4.606 4.320 0.012 0.000 0.310 136 A C -0.353 177.530 177.584 0.498 0.000 1.066 136 A CA -0.467 51.831 52.037 0.436 0.000 0.839 136 A CB -0.152 19.264 19.000 0.695 0.000 1.192 136 A HN 0.112 nan 8.150 nan 0.000 0.496 137 D N 0.472 121.071 120.400 0.331 0.000 2.349 137 D HA 0.027 4.675 4.640 0.012 0.000 0.215 137 D C 0.347 176.805 176.300 0.263 0.000 1.016 137 D CA 0.862 55.053 54.000 0.317 0.000 0.870 137 D CB 0.399 41.303 40.800 0.174 0.000 0.917 137 D HN 0.418 nan 8.370 nan 0.000 0.524 138 T N 3.572 118.227 114.554 0.167 0.000 2.817 138 T HA 0.151 4.508 4.350 0.012 0.000 0.295 138 T C -2.421 172.084 174.700 -0.326 0.000 0.958 138 T CA -1.022 61.064 62.100 -0.023 0.000 1.157 138 T CB 1.166 70.022 68.868 -0.020 0.000 0.898 138 T HN -0.033 nan 8.240 nan 0.000 0.536 139 P HA 0.199 nan 4.420 nan 0.000 0.271 139 P C 0.136 176.800 177.300 -1.059 0.000 1.220 139 P CA 0.065 62.667 63.100 -0.831 0.000 0.768 139 P CB 0.316 31.847 31.700 -0.281 0.000 0.848 140 D N -0.141 119.190 120.400 -1.781 0.000 3.041 140 D HA -0.175 4.472 4.640 0.012 0.000 0.220 140 D C 0.035 175.700 176.300 -1.058 0.000 1.157 140 D CA 0.974 54.261 54.000 -1.188 0.000 0.876 140 D CB -1.787 38.831 40.800 -0.303 0.000 1.107 140 D HN 0.468 nan 8.370 nan 0.000 0.422 141 D N -0.484 119.071 120.400 -1.408 0.000 2.885 141 D HA 0.053 4.701 4.640 0.012 0.000 0.234 141 D C 1.174 177.329 176.300 -0.242 0.000 1.129 141 D CA -0.128 53.533 54.000 -0.565 0.000 0.991 141 D CB -0.918 39.718 40.800 -0.274 0.000 1.137 141 D HN 0.192 nan 8.370 nan 0.000 0.459 142 F N 0.294 120.219 119.950 -0.041 0.000 2.250 142 F HA -0.174 4.363 4.527 0.016 0.000 0.301 142 F C 2.336 178.216 175.800 0.135 0.000 1.077 142 F CA 0.993 59.111 58.000 0.197 0.000 1.348 142 F CB -0.142 38.928 39.000 0.116 0.000 1.040 142 F HN 0.274 nan 8.300 nan 0.000 0.509 143 Q N -0.024 119.846 119.800 0.116 0.000 2.369 143 Q HA -0.017 4.330 4.340 0.012 0.000 0.206 143 Q C 0.875 176.883 176.000 0.014 0.000 0.963 143 Q CA 0.462 56.221 55.803 -0.073 0.000 0.894 143 Q CB 0.011 28.420 28.738 -0.548 0.000 0.965 143 Q HN 0.409 nan 8.270 nan 0.000 0.475 144 L N 0.749 122.070 121.223 0.162 0.000 3.717 144 L HA -0.299 4.049 4.340 0.012 0.000 0.414 144 L C 0.626 177.673 176.870 0.295 0.000 1.228 144 L CA -0.189 54.832 54.840 0.302 0.000 0.918 144 L CB -1.673 40.595 42.059 0.349 0.000 1.865 144 L HN 0.394 nan 8.230 nan 0.000 0.922 145 H N -0.503 118.673 119.070 0.177 0.000 2.423 145 H HA -0.024 4.539 4.556 0.012 0.000 0.297 145 H C 1.777 177.197 175.328 0.153 0.000 1.075 145 H CA 1.894 58.023 56.048 0.135 0.000 1.342 145 H CB 0.039 29.855 29.762 0.091 0.000 1.395 145 H HN 0.493 nan 8.280 nan 0.000 0.530 146 N N -0.259 118.623 118.700 0.305 0.000 2.276 146 N HA 0.038 4.785 4.740 0.012 0.000 0.212 146 N C -0.565 175.111 175.510 0.277 0.000 1.127 146 N CA -0.267 52.924 53.050 0.235 0.000 0.834 146 N CB 0.044 38.630 38.487 0.165 0.000 1.014 146 N HN 0.073 nan 8.380 nan 0.000 0.491 147 F N 1.950 122.006 119.950 0.178 0.000 2.543 147 F HA 0.202 4.735 4.527 0.009 0.000 0.375 147 F C 0.437 176.301 175.800 0.106 0.000 1.075 147 F CA -0.088 58.009 58.000 0.162 0.000 1.225 147 F CB 0.342 39.410 39.000 0.113 0.000 1.099 147 F HN -0.021 nan 8.300 nan 0.000 0.561 148 S N 6.103 121.715 115.700 -0.147 0.000 2.547 148 S HA 0.525 5.002 4.470 0.012 0.000 0.270 148 S C -1.318 173.186 174.600 -0.159 0.000 1.150 148 S CA -1.249 56.933 58.200 -0.031 0.000 0.850 148 S CB 1.023 64.261 63.200 0.063 0.000 1.118 148 S HN 0.701 nan 8.310 nan 0.000 0.461 149 L N 2.633 123.799 121.223 -0.096 0.000 2.360 149 L HA 0.448 4.795 4.340 0.012 0.000 0.276 149 L C -1.751 175.119 176.870 -0.001 0.000 1.121 149 L CA -1.491 53.314 54.840 -0.058 0.000 0.845 149 L CB 0.115 42.102 42.059 -0.119 0.000 1.143 149 L HN 0.591 nan 8.230 nan 0.000 0.452 150 P HA 0.165 nan 4.420 nan 0.000 0.293 150 P C 0.159 177.401 177.300 -0.097 0.000 1.304 150 P CA -0.547 62.492 63.100 -0.101 0.000 0.767 150 P CB 0.770 32.291 31.700 -0.298 0.000 1.247 151 E N -0.318 119.816 120.200 -0.111 0.000 2.209 151 E HA -0.215 4.142 4.350 0.012 0.000 0.196 151 E C 1.533 178.091 176.600 -0.070 0.000 0.993 151 E CA 1.214 57.567 56.400 -0.079 0.000 0.819 151 E CB -0.178 29.482 29.700 -0.068 0.000 0.745 151 E HN 0.473 nan 8.360 nan 0.000 0.477 152 E N 0.971 121.107 120.200 -0.105 0.000 2.130 152 E HA -0.202 4.156 4.350 0.012 0.000 0.196 152 E C 1.359 177.986 176.600 0.045 0.000 0.998 152 E CA 1.690 58.075 56.400 -0.025 0.000 0.806 152 E CB -0.045 29.649 29.700 -0.010 0.000 0.738 152 E HN 0.315 nan 8.360 nan 0.000 0.459 153 D N -1.460 118.970 120.400 0.051 0.000 2.144 153 D HA -0.072 4.575 4.640 0.012 0.000 0.207 153 D C 1.941 178.167 176.300 -0.122 0.000 0.970 153 D CA 1.828 55.853 54.000 0.043 0.000 0.853 153 D CB -0.153 40.702 40.800 0.091 0.000 1.007 153 D HN 0.260 nan 8.370 nan 0.000 0.469 154 T N -1.989 112.478 114.554 -0.145 0.000 3.023 154 T HA 0.017 4.375 4.350 0.012 0.000 0.266 154 T C 1.743 176.402 174.700 -0.068 0.000 1.093 154 T CA 0.495 62.491 62.100 -0.173 0.000 1.129 154 T CB 0.169 68.985 68.868 -0.087 0.000 0.899 154 T HN -0.124 nan 8.240 nan 0.000 0.491 155 K N -0.195 120.180 120.400 -0.042 0.000 2.399 155 K HA 0.525 4.852 4.320 0.012 0.000 0.196 155 K C 1.875 178.470 176.600 -0.008 0.000 1.103 155 K CA 0.020 56.297 56.287 -0.017 0.000 0.986 155 K CB -0.089 32.402 32.500 -0.015 0.000 0.952 155 K HN 0.453 nan 8.250 nan 0.000 0.541 156 L N -0.281 120.938 121.223 -0.006 0.000 2.546 156 L HA 0.276 4.623 4.340 0.012 0.000 0.182 156 L C 2.162 179.044 176.870 0.021 0.000 1.167 156 L CA 0.566 55.413 54.840 0.012 0.000 0.845 156 L CB -0.230 41.842 42.059 0.022 0.000 1.134 156 L HN 0.009 nan 8.230 nan 0.000 0.500 157 K N 0.610 121.034 120.400 0.040 0.000 2.062 157 K HA -0.021 4.306 4.320 0.012 0.000 0.205 157 K C 2.028 178.643 176.600 0.025 0.000 1.051 157 K CA 1.262 57.591 56.287 0.070 0.000 0.941 157 K CB -0.026 32.572 32.500 0.164 0.000 0.719 157 K HN 0.161 nan 8.250 nan 0.000 0.440 158 I N 1.017 121.558 120.570 -0.048 0.000 2.202 158 I HA -0.170 4.007 4.170 0.012 0.000 0.242 158 I C -1.005 175.086 176.117 -0.042 0.000 1.091 158 I CA 0.984 62.197 61.300 -0.145 0.000 1.368 158 I CB -0.812 36.974 38.000 -0.356 0.000 1.058 158 I HN 0.062 nan 8.210 nan 0.000 0.410 159 P HA -0.134 nan 4.420 nan 0.000 0.217 159 P C 1.944 179.277 177.300 0.054 0.000 1.150 159 P CA 1.370 64.522 63.100 0.086 0.000 0.832 159 P CB 0.043 31.772 31.700 0.049 0.000 0.787 160 L N -1.397 119.836 121.223 0.016 0.000 2.093 160 L HA -0.136 4.211 4.340 0.012 0.000 0.208 160 L C 2.386 179.231 176.870 -0.042 0.000 1.085 160 L CA 1.247 56.089 54.840 0.003 0.000 0.755 160 L CB -0.692 41.376 42.059 0.015 0.000 0.904 160 L HN -0.071 nan 8.230 nan 0.000 0.435 161 I N -1.096 119.431 120.570 -0.072 0.000 2.179 161 I HA -0.338 3.840 4.170 0.012 0.000 0.242 161 I C 2.640 178.642 176.117 -0.192 0.000 1.088 161 I CA 1.126 62.331 61.300 -0.159 0.000 1.357 161 I CB -0.520 37.388 38.000 -0.153 0.000 1.051 161 I HN 0.312 nan 8.210 nan 0.000 0.409 162 H N 1.155 120.178 119.070 -0.078 0.000 2.352 162 H HA -0.112 4.450 4.556 0.011 0.000 0.299 162 H C 2.489 177.766 175.328 -0.084 0.000 1.097 162 H CA 1.511 57.514 56.048 -0.075 0.000 1.311 162 H CB -0.208 29.525 29.762 -0.048 0.000 1.377 162 H HN 0.329 nan 8.280 nan 0.000 0.504 163 R N 0.400 120.935 120.500 0.058 0.000 2.081 163 R HA -0.058 4.289 4.340 0.012 0.000 0.235 163 R C 2.606 178.873 176.300 -0.055 0.000 1.131 163 R CA 1.011 57.117 56.100 0.010 0.000 0.960 163 R CB -0.299 30.011 30.300 0.016 0.000 0.856 163 R HN 0.212 nan 8.270 nan 0.000 0.436 164 A N 1.705 124.428 122.820 -0.162 0.000 1.873 164 A HA -0.179 4.148 4.320 0.012 0.000 0.218 164 A C 2.226 179.594 177.584 -0.361 0.000 1.193 164 A CA 1.445 53.226 52.037 -0.425 0.000 0.629 164 A CB -0.727 17.725 19.000 -0.913 0.000 0.826 164 A HN 0.197 nan 8.150 nan 0.000 0.447 165 L N -1.109 119.961 121.223 -0.256 0.000 2.083 165 L HA -0.263 4.085 4.340 0.012 0.000 0.209 165 L C 2.847 179.686 176.870 -0.052 0.000 1.083 165 L CA 1.649 56.405 54.840 -0.139 0.000 0.752 165 L CB -0.691 41.318 42.059 -0.084 0.000 0.899 165 L HN 0.495 nan 8.230 nan 0.000 0.433 166 Q N -0.105 119.680 119.800 -0.024 0.000 2.170 166 Q HA -0.142 4.206 4.340 0.012 0.000 0.203 166 Q C 2.096 178.103 176.000 0.011 0.000 0.976 166 Q CA 1.181 56.985 55.803 0.001 0.000 0.858 166 Q CB -0.015 28.728 28.738 0.007 0.000 0.907 166 Q HN 0.532 nan 8.270 nan 0.000 0.433 167 L N -0.330 120.902 121.223 0.015 0.000 2.585 167 L HA 0.232 4.579 4.340 0.012 0.000 0.226 167 L C 0.637 177.559 176.870 0.086 0.000 1.113 167 L CA -0.624 54.249 54.840 0.056 0.000 0.876 167 L CB 0.122 42.233 42.059 0.086 0.000 1.072 167 L HN -0.005 nan 8.230 nan 0.000 0.468 168 A N -0.053 122.806 122.820 0.065 0.000 2.425 168 A HA 0.421 4.748 4.320 0.012 0.000 0.249 168 A C 1.139 178.773 177.584 0.084 0.000 1.084 168 A CA 0.552 52.659 52.037 0.117 0.000 0.781 168 A CB 0.561 19.615 19.000 0.089 0.000 1.019 168 A HN 0.328 nan 8.150 nan 0.000 0.490 169 Q N 2.180 122.036 119.800 0.094 0.000 2.187 169 Q HA 0.058 4.405 4.340 0.012 0.000 0.199 169 Q C 1.060 177.088 176.000 0.046 0.000 0.957 169 Q CA 1.700 57.537 55.803 0.056 0.000 0.857 169 Q CB -0.222 28.538 28.738 0.037 0.000 0.929 169 Q HN 0.857 nan 8.270 nan 0.000 0.453 170 R N -0.026 120.510 120.500 0.060 0.000 2.854 170 R HA 0.537 4.884 4.340 0.012 0.000 0.271 170 R C -2.708 173.613 176.300 0.035 0.000 0.996 170 R CA -2.249 53.875 56.100 0.040 0.000 0.961 170 R CB 1.344 31.666 30.300 0.037 0.000 1.182 170 R HN 0.117 nan 8.270 nan 0.000 0.479 171 P HA 0.045 nan 4.420 nan 0.000 0.267 171 P C -0.844 176.448 177.300 -0.014 0.000 1.205 171 P CA -0.142 62.953 63.100 -0.009 0.000 0.765 171 P CB 0.583 32.267 31.700 -0.026 0.000 0.828 172 V N 3.388 123.294 119.914 -0.015 0.000 2.472 172 V HA 0.284 4.411 4.120 0.012 0.000 0.290 172 V C 0.425 176.493 176.094 -0.044 0.000 1.037 172 V CA -0.178 62.118 62.300 -0.006 0.000 0.908 172 V CB 1.606 33.420 31.823 -0.015 0.000 0.985 172 V HN 0.481 nan 8.190 nan 0.000 0.454 173 S N 5.327 120.995 115.700 -0.053 0.000 2.489 173 S HA 0.685 5.162 4.470 0.012 0.000 0.291 173 S C -0.469 174.184 174.600 0.089 0.000 1.151 173 S CA -0.503 57.685 58.200 -0.021 0.000 1.082 173 S CB 0.982 64.028 63.200 -0.256 0.000 1.019 173 S HN 0.481 nan 8.310 nan 0.000 0.492 174 L N 3.292 124.567 121.223 0.086 0.000 2.322 174 L HA 0.652 4.999 4.340 0.012 0.000 0.279 174 L C -0.824 176.252 176.870 0.344 0.000 1.036 174 L CA -0.930 53.920 54.840 0.017 0.000 0.807 174 L CB 1.340 43.039 42.059 -0.600 0.000 1.226 174 L HN 0.431 nan 8.230 nan 0.000 0.433 175 L N 2.928 124.413 121.223 0.437 0.000 2.385 175 L HA 0.854 5.201 4.340 0.012 0.000 0.273 175 L C -0.667 176.458 176.870 0.425 0.000 0.990 175 L CA -0.114 54.971 54.840 0.407 0.000 0.821 175 L CB 1.702 43.949 42.059 0.314 0.000 1.279 175 L HN 0.645 nan 8.230 nan 0.000 0.412 176 A N 3.059 126.013 122.820 0.224 0.000 2.337 176 A HA 0.956 5.284 4.320 0.012 0.000 0.331 176 A C -0.814 176.751 177.584 -0.032 0.000 1.137 176 A CA -0.438 51.602 52.037 0.004 0.000 0.807 176 A CB 1.296 19.981 19.000 -0.525 0.000 1.250 176 A HN 0.751 nan 8.150 nan 0.000 0.468 177 S N 1.953 117.663 115.700 0.017 0.000 2.536 177 S HA 0.743 5.220 4.470 0.012 0.000 0.271 177 S C -3.146 171.519 174.600 0.107 0.000 1.134 177 S CA -0.898 57.319 58.200 0.028 0.000 0.897 177 S CB 2.374 65.597 63.200 0.038 0.000 1.094 177 S HN 0.649 nan 8.310 nan 0.000 0.473 178 P HA 0.358 nan 4.420 nan 0.000 0.293 178 P C 0.006 177.485 177.300 0.298 0.000 1.291 178 P CA -0.764 62.440 63.100 0.173 0.000 0.867 178 P CB 1.348 33.075 31.700 0.045 0.000 1.074 179 W N 0.610 121.925 121.300 0.025 0.000 2.633 179 W HA 0.034 4.702 4.660 0.013 0.000 0.295 179 W C 0.837 177.344 176.519 -0.020 0.000 1.133 179 W CA 0.745 58.118 57.345 0.047 0.000 1.490 179 W CB 0.129 29.657 29.460 0.113 0.000 1.127 179 W HN 0.249 nan 8.180 nan 0.000 0.538 180 T N -0.005 114.639 114.554 0.149 0.000 2.916 180 T HA 0.331 4.688 4.350 0.012 0.000 0.292 180 T C -0.100 174.405 174.700 -0.325 0.000 1.055 180 T CA -0.475 61.553 62.100 -0.120 0.000 1.009 180 T CB 1.563 70.363 68.868 -0.114 0.000 1.118 180 T HN -0.043 nan 8.240 nan 0.000 0.497 181 S N 3.510 118.736 115.700 -0.790 0.000 2.669 181 S HA 0.648 5.126 4.470 0.012 0.000 0.270 181 S C -2.703 171.466 174.600 -0.719 0.000 1.225 181 S CA -1.212 56.265 58.200 -1.205 0.000 0.991 181 S CB 0.305 62.385 63.200 -1.866 0.000 0.987 181 S HN 0.548 nan 8.310 nan 0.000 0.552 182 P HA 0.037 nan 4.420 nan 0.000 0.264 182 P C 1.220 178.091 177.300 -0.716 0.000 1.179 182 P CA 0.243 62.960 63.100 -0.639 0.000 0.763 182 P CB 0.154 31.255 31.700 -0.999 0.000 0.806 183 T N -0.957 113.353 114.554 -0.407 0.000 2.929 183 T HA -0.139 4.219 4.350 0.012 0.000 0.271 183 T C 1.249 175.825 174.700 -0.206 0.000 1.085 183 T CA 0.710 62.650 62.100 -0.266 0.000 1.125 183 T CB -0.732 68.073 68.868 -0.105 0.000 0.874 183 T HN 0.586 nan 8.240 nan 0.000 0.494 184 W N 0.853 122.082 121.300 -0.120 0.000 3.180 184 W HA 0.379 5.046 4.660 0.011 0.000 0.254 184 W C 0.705 177.177 176.519 -0.079 0.000 1.318 184 W CA -0.515 56.778 57.345 -0.087 0.000 1.608 184 W CB -0.780 28.626 29.460 -0.089 0.000 1.124 184 W HN 0.260 nan 8.180 nan 0.000 0.694 185 L N 0.803 121.722 121.223 -0.506 0.000 2.607 185 L HA 0.219 4.566 4.340 0.012 0.000 0.228 185 L C 0.531 177.145 176.870 -0.426 0.000 1.123 185 L CA 0.496 55.100 54.840 -0.394 0.000 0.890 185 L CB -0.156 41.524 42.059 -0.632 0.000 1.103 185 L HN -0.265 nan 8.230 nan 0.000 0.468 186 K N -0.573 119.601 120.400 -0.376 0.000 2.203 186 K HA 0.237 4.564 4.320 0.012 0.000 0.251 186 K C 1.211 177.643 176.600 -0.280 0.000 0.944 186 K CA -0.098 55.964 56.287 -0.376 0.000 0.829 186 K CB 1.801 34.084 32.500 -0.361 0.000 1.125 186 K HN -0.093 nan 8.250 nan 0.000 0.430 187 T N -1.671 112.719 114.554 -0.274 0.000 2.897 187 T HA -0.168 4.190 4.350 0.012 0.000 0.271 187 T C 1.070 175.684 174.700 -0.144 0.000 1.084 187 T CA 1.519 63.498 62.100 -0.202 0.000 1.123 187 T CB -0.269 68.490 68.868 -0.182 0.000 0.865 187 T HN 0.675 nan 8.240 nan 0.000 0.496 188 N N 0.803 119.416 118.700 -0.145 0.000 2.205 188 N HA 0.202 4.950 4.740 0.012 0.000 0.201 188 N C 1.425 176.886 175.510 -0.082 0.000 1.128 188 N CA 0.422 53.412 53.050 -0.100 0.000 0.867 188 N CB -0.327 38.103 38.487 -0.094 0.000 0.996 188 N HN 0.577 nan 8.380 nan 0.000 0.503 189 G N -0.206 108.536 108.800 -0.096 0.000 2.258 189 G HA2 -0.067 3.900 3.960 0.012 0.000 0.274 189 G HA3 -0.067 3.900 3.960 0.012 0.000 0.274 189 G C 0.087 174.951 174.900 -0.059 0.000 1.021 189 G CA 0.605 45.667 45.100 -0.063 0.000 0.798 189 G HN 0.914 nan 8.290 nan 0.000 0.507 190 A N -1.807 120.963 122.820 -0.084 0.000 2.566 190 A HA 0.881 5.209 4.320 0.012 0.000 0.292 190 A C 1.191 178.724 177.584 -0.085 0.000 1.112 190 A CA 0.317 52.318 52.037 -0.062 0.000 0.707 190 A CB 1.055 20.039 19.000 -0.027 0.000 1.302 190 A HN 1.479 nan 8.150 nan 0.000 0.409 191 V N -1.085 118.794 119.914 -0.059 0.000 2.871 191 V HA 0.081 4.209 4.120 0.012 0.000 0.256 191 V C 0.617 176.721 176.094 0.016 0.000 1.082 191 V CA 1.700 63.964 62.300 -0.060 0.000 1.105 191 V CB -1.539 30.242 31.823 -0.070 0.000 0.713 191 V HN 0.923 nan 8.190 nan 0.000 0.473 192 N N 0.298 119.035 118.700 0.063 0.000 3.100 192 N HA 0.665 5.413 4.740 0.012 0.000 0.344 192 N C 0.464 175.993 175.510 0.032 0.000 1.413 192 N CA 0.172 53.278 53.050 0.094 0.000 0.752 192 N CB 0.576 39.170 38.487 0.178 0.000 1.519 192 N HN 0.870 nan 8.380 nan 0.000 0.620 193 G N -0.474 108.354 108.800 0.046 0.000 2.796 193 G HA2 -0.223 3.744 3.960 0.012 0.000 0.226 193 G HA3 -0.223 3.744 3.960 0.012 0.000 0.226 193 G C -0.831 174.054 174.900 -0.025 0.000 1.381 193 G CA -0.028 45.080 45.100 0.013 0.000 0.867 193 G HN 0.916 nan 8.290 nan 0.000 0.552 194 K N 0.450 120.825 120.400 -0.042 0.000 2.349 194 K HA 0.571 4.899 4.320 0.012 0.000 0.288 194 K C 0.520 177.057 176.600 -0.105 0.000 1.058 194 K CA 0.404 56.645 56.287 -0.076 0.000 0.953 194 K CB 0.114 32.578 32.500 -0.061 0.000 0.997 194 K HN 1.857 nan 8.250 nan 0.000 0.477 195 G N 1.627 110.337 108.800 -0.149 0.000 2.442 195 G HA2 0.327 4.294 3.960 0.012 0.000 0.296 195 G HA3 0.327 4.294 3.960 0.012 0.000 0.296 195 G C -1.488 173.250 174.900 -0.270 0.000 1.564 195 G CA -0.523 44.464 45.100 -0.188 0.000 0.828 195 G HN 0.696 nan 8.290 nan 0.000 0.571 196 S N -0.278 115.237 115.700 -0.308 0.000 2.794 196 S HA 0.798 5.276 4.470 0.012 0.000 0.299 196 S C -0.241 174.081 174.600 -0.463 0.000 1.179 196 S CA -1.000 56.936 58.200 -0.441 0.000 0.838 196 S CB 1.060 64.046 63.200 -0.357 0.000 1.206 196 S HN 0.831 nan 8.310 nan 0.000 0.523 197 L N 1.495 122.363 121.223 -0.591 0.000 2.514 197 L HA 0.211 4.558 4.340 0.012 0.000 0.280 197 L C 0.682 177.326 176.870 -0.377 0.000 1.223 197 L CA -0.034 54.460 54.840 -0.576 0.000 0.864 197 L CB 0.091 41.653 42.059 -0.829 0.000 1.118 197 L HN 0.654 nan 8.230 nan 0.000 0.494 198 K N 1.728 121.817 120.400 -0.518 0.000 2.276 198 K HA 0.388 4.716 4.320 0.012 0.000 0.259 198 K C 0.747 177.186 176.600 -0.268 0.000 1.001 198 K CA 0.640 56.580 56.287 -0.578 0.000 0.927 198 K CB 0.551 32.336 32.500 -1.192 0.000 0.969 198 K HN 0.813 nan 8.250 nan 0.000 0.490 199 G N 0.797 109.543 108.800 -0.090 0.000 2.512 199 G HA2 -0.290 3.677 3.960 0.012 0.000 0.254 199 G HA3 -0.290 3.677 3.960 0.012 0.000 0.254 199 G C -1.070 173.874 174.900 0.073 0.000 1.199 199 G CA 0.223 45.398 45.100 0.125 0.000 0.941 199 G HN 0.719 nan 8.290 nan 0.000 0.569 200 Q N -0.772 119.034 119.800 0.010 0.000 2.421 200 Q HA 0.695 5.043 4.340 0.012 0.000 0.280 200 Q C -3.158 172.462 176.000 -0.633 0.000 1.085 200 Q CA -2.128 53.508 55.803 -0.277 0.000 0.807 200 Q CB 2.672 31.305 28.738 -0.176 0.000 1.405 200 Q HN 0.431 nan 8.270 nan 0.000 0.419 201 P HA 0.032 nan 4.420 nan 0.000 0.266 201 P C 0.562 177.770 177.300 -0.153 0.000 1.193 201 P CA 1.912 64.691 63.100 -0.534 0.000 0.770 201 P CB 0.428 32.094 31.700 -0.056 0.000 0.836 202 G N 1.017 109.832 108.800 0.025 0.000 2.234 202 G HA2 -0.186 3.781 3.960 0.012 0.000 0.235 202 G HA3 -0.186 3.781 3.960 0.012 0.000 0.235 202 G C 0.129 175.072 174.900 0.073 0.000 0.997 202 G CA 0.343 45.473 45.100 0.050 0.000 0.623 202 G HN 0.724 nan 8.290 nan 0.000 0.514 203 D N -0.087 120.373 120.400 0.101 0.000 2.506 203 D HA 0.495 5.142 4.640 0.012 0.000 0.272 203 D C 1.783 178.176 176.300 0.156 0.000 1.214 203 D CA -0.486 53.582 54.000 0.114 0.000 1.067 203 D CB 0.286 41.161 40.800 0.124 0.000 1.117 203 D HN 0.238 nan 8.370 nan 0.000 0.578 204 I N -0.674 119.901 120.570 0.008 0.000 2.264 204 I HA -0.313 3.864 4.170 0.012 0.000 0.248 204 I C 1.538 177.721 176.117 0.110 0.000 1.111 204 I CA 1.259 62.519 61.300 -0.067 0.000 1.382 204 I CB -0.069 37.697 38.000 -0.390 0.000 1.060 204 I HN 0.343 nan 8.210 nan 0.000 0.418 205 Y N -0.161 120.315 120.300 0.293 0.000 2.163 205 Y HA -0.257 4.300 4.550 0.011 0.000 0.288 205 Y C 2.563 178.613 175.900 0.250 0.000 1.136 205 Y CA 1.798 60.097 58.100 0.331 0.000 1.147 205 Y CB -0.794 37.790 38.460 0.208 0.000 0.987 205 Y HN 0.229 nan 8.280 nan 0.000 0.509 206 H N -0.425 118.892 119.070 0.411 0.000 2.353 206 H HA -0.198 4.366 4.556 0.013 0.000 0.300 206 H C 2.225 177.834 175.328 0.468 0.000 1.090 206 H CA 1.865 58.171 56.048 0.430 0.000 1.327 206 H CB -0.359 29.651 29.762 0.412 0.000 1.383 206 H HN 0.351 nan 8.280 nan 0.000 0.508 207 Q N 0.220 120.287 119.800 0.446 0.000 2.096 207 Q HA -0.181 4.166 4.340 0.012 0.000 0.204 207 Q C 1.595 177.802 176.000 0.345 0.000 0.982 207 Q CA 2.129 58.122 55.803 0.317 0.000 0.850 207 Q CB -0.030 28.835 28.738 0.212 0.000 0.901 207 Q HN 0.451 nan 8.270 nan 0.000 0.422 208 T N 0.221 115.022 114.554 0.410 0.000 2.821 208 T HA -0.154 4.203 4.350 0.012 0.000 0.267 208 T C 1.084 176.086 174.700 0.504 0.000 1.046 208 T CA 1.060 63.432 62.100 0.453 0.000 1.139 208 T CB -0.456 68.750 68.868 0.563 0.000 0.871 208 T HN 0.508 nan 8.240 nan 0.000 0.454 209 W N 1.721 123.176 121.300 0.258 0.000 2.381 209 W HA -0.105 4.559 4.660 0.008 0.000 0.301 209 W C 2.527 179.352 176.519 0.510 0.000 1.205 209 W CA 0.831 58.326 57.345 0.249 0.000 1.285 209 W CB -0.208 29.284 29.460 0.052 0.000 1.133 209 W HN 0.279 nan 8.180 nan 0.000 0.521 210 A N 1.151 124.246 122.820 0.458 0.000 1.908 210 A HA -0.223 4.104 4.320 0.012 0.000 0.218 210 A C 1.974 179.671 177.584 0.189 0.000 1.181 210 A CA 1.739 53.886 52.037 0.182 0.000 0.627 210 A CB -0.911 18.116 19.000 0.046 0.000 0.818 210 A HN 0.360 nan 8.150 nan 0.000 0.445 211 R N -2.364 118.279 120.500 0.238 0.000 2.115 211 R HA -0.128 4.220 4.340 0.012 0.000 0.230 211 R C 2.066 178.482 176.300 0.193 0.000 1.111 211 R CA 1.401 57.612 56.100 0.185 0.000 0.976 211 R CB -0.490 29.920 30.300 0.183 0.000 0.870 211 R HN 0.738 nan 8.270 nan 0.000 0.445 212 Y N 0.584 120.972 120.300 0.146 0.000 2.193 212 Y HA -0.297 4.260 4.550 0.013 0.000 0.285 212 Y C 1.755 177.666 175.900 0.018 0.000 1.166 212 Y CA 1.596 59.778 58.100 0.137 0.000 1.181 212 Y CB -0.225 38.360 38.460 0.208 0.000 0.976 212 Y HN -0.096 nan 8.280 nan 0.000 0.520 213 F N -1.073 118.884 119.950 0.012 0.000 2.102 213 F HA -0.253 4.282 4.527 0.014 0.000 0.298 213 F C 2.382 178.127 175.800 -0.092 0.000 1.105 213 F CA 1.715 59.663 58.000 -0.087 0.000 1.239 213 F CB -0.994 37.884 39.000 -0.204 0.000 0.991 213 F HN -0.139 nan 8.300 nan 0.000 0.474 214 V N 0.076 120.056 119.914 0.110 0.000 2.343 214 V HA -0.280 3.848 4.120 0.012 0.000 0.247 214 V C 2.429 178.456 176.094 -0.113 0.000 1.051 214 V CA 1.632 63.945 62.300 0.022 0.000 1.036 214 V CB -0.521 31.345 31.823 0.072 0.000 0.654 214 V HN 0.245 nan 8.190 nan 0.000 0.451 215 K N -0.621 119.615 120.400 -0.273 0.000 2.026 215 K HA -0.199 4.128 4.320 0.012 0.000 0.208 215 K C 2.119 178.312 176.600 -0.680 0.000 1.048 215 K CA 1.829 57.701 56.287 -0.692 0.000 0.929 215 K CB -0.625 31.043 32.500 -1.388 0.000 0.713 215 K HN 0.478 nan 8.250 nan 0.000 0.439 216 F N 2.426 122.038 119.950 -0.563 0.000 2.065 216 F HA -0.243 4.289 4.527 0.009 0.000 0.298 216 F C 2.067 177.749 175.800 -0.198 0.000 1.112 216 F CA 1.475 59.353 58.000 -0.205 0.000 1.212 216 F CB -0.547 38.325 39.000 -0.214 0.000 0.975 216 F HN -0.100 nan 8.300 nan 0.000 0.476 217 L N -0.018 120.988 121.223 -0.362 0.000 2.042 217 L HA -0.265 4.083 4.340 0.012 0.000 0.210 217 L C 2.266 178.918 176.870 -0.364 0.000 1.076 217 L CA 1.639 56.130 54.840 -0.581 0.000 0.749 217 L CB -0.980 40.519 42.059 -0.934 0.000 0.893 217 L HN 0.148 nan 8.230 nan 0.000 0.432 218 D N 0.190 120.489 120.400 -0.168 0.000 2.097 218 D HA -0.164 4.483 4.640 0.012 0.000 0.195 218 D C 2.246 178.556 176.300 0.016 0.000 0.989 218 D CA 1.593 55.633 54.000 0.067 0.000 0.827 218 D CB -0.107 40.711 40.800 0.029 0.000 0.966 218 D HN 0.319 nan 8.370 nan 0.000 0.456 219 A N -0.172 122.621 122.820 -0.046 0.000 1.933 219 A HA -0.207 4.120 4.320 0.012 0.000 0.218 219 A C 2.067 179.706 177.584 0.091 0.000 1.175 219 A CA 1.139 53.202 52.037 0.043 0.000 0.628 219 A CB -0.912 18.139 19.000 0.085 0.000 0.814 219 A HN 0.234 nan 8.150 nan 0.000 0.444 220 Y N -0.353 119.838 120.300 -0.182 0.000 2.263 220 Y HA 0.053 4.611 4.550 0.012 0.000 0.292 220 Y C 2.829 178.751 175.900 0.037 0.000 1.130 220 Y CA 0.588 58.626 58.100 -0.103 0.000 1.179 220 Y CB -0.383 37.960 38.460 -0.195 0.000 0.998 220 Y HN 0.327 nan 8.280 nan 0.000 0.532 221 A N 0.032 122.947 122.820 0.158 0.000 1.930 221 A HA -0.186 4.142 4.320 0.012 0.000 0.217 221 A C 1.982 179.618 177.584 0.087 0.000 1.175 221 A CA 1.677 53.802 52.037 0.146 0.000 0.627 221 A CB -0.552 18.571 19.000 0.206 0.000 0.815 221 A HN 0.512 nan 8.150 nan 0.000 0.443 222 E N -0.793 119.440 120.200 0.056 0.000 2.265 222 E HA -0.164 4.193 4.350 0.012 0.000 0.196 222 E C 0.979 177.500 176.600 -0.131 0.000 0.996 222 E CA 0.930 57.306 56.400 -0.039 0.000 0.832 222 E CB -0.197 29.459 29.700 -0.073 0.000 0.756 222 E HN 0.722 nan 8.360 nan 0.000 0.491 223 H N 0.051 119.099 119.070 -0.038 0.000 2.517 223 H HA 0.141 4.701 4.556 0.007 0.000 0.282 223 H C 0.045 175.426 175.328 0.087 0.000 1.023 223 H CA 0.223 56.257 56.048 -0.022 0.000 1.169 223 H CB 0.537 30.215 29.762 -0.141 0.000 1.454 223 H HN -0.027 nan 8.280 nan 0.000 0.556 224 K N -0.037 120.446 120.400 0.138 0.000 3.291 224 K HA -0.150 4.178 4.320 0.012 0.000 0.290 224 K C -0.468 176.221 176.600 0.148 0.000 1.235 224 K CA 0.304 56.676 56.287 0.142 0.000 0.848 224 K CB -2.072 30.509 32.500 0.136 0.000 1.295 224 K HN 0.351 nan 8.250 nan 0.000 0.497 225 L N 1.363 122.640 121.223 0.091 0.000 2.333 225 L HA 0.336 4.683 4.340 0.012 0.000 0.280 225 L C 0.645 177.538 176.870 0.039 0.000 1.004 225 L CA -0.641 54.199 54.840 0.000 0.000 0.820 225 L CB 1.776 43.813 42.059 -0.035 0.000 1.247 225 L HN 0.161 nan 8.230 nan 0.000 0.416 226 Q N 2.342 122.118 119.800 -0.041 0.000 2.345 226 Q HA 0.578 4.926 4.340 0.012 0.000 0.268 226 Q C -1.611 174.307 176.000 -0.138 0.000 1.054 226 Q CA -0.704 55.115 55.803 0.028 0.000 0.835 226 Q CB 2.225 31.007 28.738 0.073 0.000 1.339 226 Q HN 0.333 nan 8.270 nan 0.000 0.447 227 F N 1.528 121.502 119.950 0.040 0.000 2.399 227 F HA 0.272 4.806 4.527 0.011 0.000 0.334 227 F C 0.553 176.398 175.800 0.074 0.000 1.097 227 F CA -0.680 57.350 58.000 0.051 0.000 1.076 227 F CB 0.865 39.869 39.000 0.007 0.000 1.162 227 F HN 0.825 nan 8.300 nan 0.000 0.495 228 W N 3.466 124.810 121.300 0.074 0.000 2.481 228 W HA 0.490 5.157 4.660 0.012 0.000 0.293 228 W C -0.277 176.247 176.519 0.008 0.000 1.201 228 W CA 0.867 58.212 57.345 0.000 0.000 1.328 228 W CB -0.027 29.399 29.460 -0.056 0.000 1.112 228 W HN 0.428 nan 8.180 nan 0.000 0.546 229 A N 0.521 123.068 122.820 -0.455 0.000 2.587 229 A HA 0.628 4.955 4.320 0.012 0.000 0.293 229 A C -1.232 176.190 177.584 -0.271 0.000 1.087 229 A CA -0.193 51.410 52.037 -0.722 0.000 0.692 229 A CB 1.019 19.082 19.000 -1.561 0.000 1.291 229 A HN 0.526 nan 8.150 nan 0.000 0.407 230 V N -1.296 118.474 119.914 -0.241 0.000 3.001 230 V HA 0.958 5.086 4.120 0.012 0.000 0.314 230 V C -0.032 175.992 176.094 -0.117 0.000 1.099 230 V CA -0.046 62.181 62.300 -0.121 0.000 0.989 230 V CB 1.402 33.211 31.823 -0.024 0.000 1.040 230 V HN 1.551 nan 8.190 nan 0.000 0.434 231 T N -0.427 114.103 114.554 -0.040 0.000 2.925 231 T HA 0.746 5.103 4.350 0.012 0.000 0.285 231 T C 0.981 175.699 174.700 0.030 0.000 1.021 231 T CA -0.069 62.002 62.100 -0.048 0.000 1.042 231 T CB 1.752 70.585 68.868 -0.057 0.000 1.037 231 T HN 1.535 nan 8.240 nan 0.000 0.481 232 A N 0.697 123.491 122.820 -0.044 0.000 2.066 232 A HA 0.344 4.672 4.320 0.012 0.000 0.218 232 A C 0.818 178.457 177.584 0.092 0.000 1.157 232 A CA 1.175 53.193 52.037 -0.031 0.000 0.670 232 A CB -0.719 18.192 19.000 -0.148 0.000 0.804 232 A HN 1.009 nan 8.150 nan 0.000 0.453 233 E N -1.675 118.522 120.200 -0.005 0.000 2.745 233 E HA 0.174 4.531 4.350 0.012 0.000 0.306 233 E C -1.357 175.128 176.600 -0.191 0.000 1.090 233 E CA -0.420 55.976 56.400 -0.006 0.000 0.893 233 E CB -0.095 29.601 29.700 -0.007 0.000 1.205 233 E HN 0.159 nan 8.360 nan 0.000 0.438 234 N N 3.067 121.562 118.700 -0.342 0.000 2.452 234 N HA 0.133 4.881 4.740 0.012 0.000 0.266 234 N C -0.770 174.426 175.510 -0.523 0.000 1.175 234 N CA 0.657 53.337 53.050 -0.618 0.000 0.945 234 N CB 0.368 38.008 38.487 -1.411 0.000 1.063 234 N HN 0.586 nan 8.380 nan 0.000 0.472 235 E N 1.756 121.651 120.200 -0.508 0.000 2.222 235 E HA -0.187 4.170 4.350 0.012 0.000 0.189 235 E C -1.660 174.725 176.600 -0.358 0.000 1.415 235 E CA 0.149 56.272 56.400 -0.462 0.000 0.689 235 E CB -0.605 28.858 29.700 -0.395 0.000 1.107 235 E HN 0.700 nan 8.360 nan 0.000 0.350 236 P HA -0.264 nan 4.420 nan 0.000 0.218 236 P C 1.480 178.757 177.300 -0.039 0.000 1.146 236 P CA 1.929 65.015 63.100 -0.024 0.000 0.813 236 P CB 0.040 31.821 31.700 0.135 0.000 0.778 237 S N -0.320 115.293 115.700 -0.145 0.000 2.447 237 S HA 0.001 4.478 4.470 0.012 0.000 0.233 237 S C 2.183 176.638 174.600 -0.241 0.000 1.006 237 S CA 0.831 58.969 58.200 -0.103 0.000 0.957 237 S CB -1.155 61.978 63.200 -0.112 0.000 0.773 237 S HN 0.142 nan 8.310 nan 0.000 0.507 238 A N 1.961 124.522 122.820 -0.432 0.000 1.908 238 A HA 0.176 4.503 4.320 0.012 0.000 0.218 238 A C 2.353 179.515 177.584 -0.705 0.000 1.181 238 A CA 1.460 52.992 52.037 -0.843 0.000 0.627 238 A CB -1.732 16.470 19.000 -1.330 0.000 0.818 238 A HN 0.699 nan 8.150 nan 0.000 0.445 239 G N -0.660 107.873 108.800 -0.445 0.000 2.625 239 G HA2 0.041 4.008 3.960 0.012 0.000 0.214 239 G HA3 0.041 4.008 3.960 0.012 0.000 0.214 239 G C 1.158 175.936 174.900 -0.203 0.000 1.132 239 G CA 0.705 45.629 45.100 -0.295 0.000 0.782 239 G HN 0.473 nan 8.290 nan 0.000 0.538 240 L N -0.495 120.625 121.223 -0.172 0.000 2.592 240 L HA 0.358 4.705 4.340 0.012 0.000 0.227 240 L C 0.309 177.129 176.870 -0.084 0.000 1.127 240 L CA -0.330 54.450 54.840 -0.099 0.000 0.884 240 L CB 0.180 42.212 42.059 -0.044 0.000 1.065 240 L HN 0.100 nan 8.230 nan 0.000 0.457 241 L N -0.004 121.156 121.223 -0.105 0.000 2.287 241 L HA 0.332 4.680 4.340 0.012 0.000 0.287 241 L C 0.498 177.366 176.870 -0.003 0.000 1.022 241 L CA -0.155 54.661 54.840 -0.039 0.000 0.814 241 L CB 1.620 43.675 42.059 -0.006 0.000 1.217 241 L HN -0.111 nan 8.230 nan 0.000 0.420 242 S N 4.143 119.837 115.700 -0.010 0.000 2.546 242 S HA 0.403 4.881 4.470 0.012 0.000 0.290 242 S C 1.291 175.890 174.600 -0.003 0.000 1.290 242 S CA 0.620 58.813 58.200 -0.012 0.000 1.069 242 S CB -0.146 63.042 63.200 -0.020 0.000 0.846 242 S HN 1.673 nan 8.310 nan 0.000 0.495 243 G N 3.328 112.124 108.800 -0.007 0.000 2.179 243 G HA2 -0.316 3.652 3.960 0.012 0.000 0.260 243 G HA3 -0.316 3.652 3.960 0.012 0.000 0.260 243 G C 0.042 174.921 174.900 -0.035 0.000 0.977 243 G CA 0.362 45.447 45.100 -0.025 0.000 0.641 243 G HN 1.057 nan 8.290 nan 0.000 0.533 244 Y N 2.457 122.678 120.300 -0.131 0.000 2.805 244 Y HA 0.271 4.828 4.550 0.011 0.000 0.331 244 Y C -0.344 175.436 175.900 -0.199 0.000 1.241 244 Y CA -0.233 57.748 58.100 -0.198 0.000 1.546 244 Y CB 0.981 39.297 38.460 -0.240 0.000 1.248 244 Y HN 0.089 nan 8.280 nan 0.000 0.559 245 P HA -0.039 nan 4.420 nan 0.000 0.227 245 P C -0.602 176.615 177.300 -0.138 0.000 1.161 245 P CA 1.004 63.906 63.100 -0.330 0.000 0.788 245 P CB 0.019 31.524 31.700 -0.326 0.000 0.822 246 F N -2.321 117.518 119.950 -0.185 0.000 2.782 246 F HA 0.708 5.241 4.527 0.011 0.000 0.366 246 F C -0.187 175.817 175.800 0.341 0.000 1.171 246 F CA -2.013 56.050 58.000 0.105 0.000 1.064 246 F CB -0.386 38.593 39.000 -0.033 0.000 1.449 246 F HN -0.486 nan 8.300 nan 0.000 0.520 247 Q N 0.895 121.112 119.800 0.694 0.000 2.286 247 Q HA 0.419 4.767 4.340 0.012 0.000 0.290 247 Q C -0.314 175.910 176.000 0.373 0.000 1.049 247 Q CA 0.514 56.578 55.803 0.435 0.000 0.923 247 Q CB 0.520 29.480 28.738 0.370 0.000 1.183 247 Q HN 0.881 nan 8.270 nan 0.000 0.383 248 C N 0.421 119.799 119.300 0.130 0.000 3.259 248 C HA 0.862 5.329 4.460 0.012 0.000 0.344 248 C C -1.945 172.961 174.990 -0.141 0.000 1.401 248 C CA -1.215 57.782 59.018 -0.036 0.000 1.219 248 C CB 0.715 28.344 27.740 -0.185 0.000 1.521 248 C HN 0.822 nan 8.230 nan 0.000 0.455 249 L N 1.654 122.760 121.223 -0.196 0.000 2.737 249 L HA 0.699 5.047 4.340 0.012 0.000 0.261 249 L C 0.048 176.758 176.870 -0.266 0.000 0.949 249 L CA 0.576 55.247 54.840 -0.282 0.000 0.952 249 L CB 1.222 43.101 42.059 -0.300 0.000 1.337 249 L HN 1.493 nan 8.230 nan 0.000 0.430 250 G N 3.373 111.962 108.800 -0.351 0.000 2.380 250 G HA2 0.514 4.482 3.960 0.012 0.000 0.262 250 G HA3 0.514 4.482 3.960 0.012 0.000 0.262 250 G C -1.203 173.477 174.900 -0.367 0.000 1.243 250 G CA -0.029 44.920 45.100 -0.251 0.000 0.865 250 G HN 0.379 nan 8.290 nan 0.000 0.513 251 F N 0.557 120.460 119.950 -0.079 0.000 2.561 251 F HA 0.373 4.907 4.527 0.011 0.000 0.313 251 F C 0.951 176.810 175.800 0.099 0.000 1.126 251 F CA -0.765 57.197 58.000 -0.063 0.000 0.918 251 F CB 2.284 41.224 39.000 -0.101 0.000 1.199 251 F HN 0.648 nan 8.300 nan 0.000 0.444 252 T N 0.047 114.734 114.554 0.222 0.000 2.813 252 T HA 0.184 4.542 4.350 0.012 0.000 0.297 252 T C -1.821 172.689 174.700 -0.315 0.000 1.036 252 T CA -1.413 60.715 62.100 0.048 0.000 1.044 252 T CB 1.042 69.913 68.868 0.005 0.000 0.993 252 T HN 0.353 nan 8.240 nan 0.000 0.535 253 P HA -0.056 nan 4.420 nan 0.000 0.220 253 P C 1.044 177.982 177.300 -0.604 0.000 1.148 253 P CA 1.050 63.235 63.100 -1.524 0.000 0.803 253 P CB 0.088 30.602 31.700 -1.977 0.000 0.782 254 E N -1.253 118.747 120.200 -0.333 0.000 2.072 254 E HA -0.186 4.172 4.350 0.012 0.000 0.191 254 E C 2.202 178.811 176.600 0.014 0.000 0.985 254 E CA 1.020 57.337 56.400 -0.140 0.000 0.801 254 E CB -1.044 28.597 29.700 -0.098 0.000 0.750 254 E HN 0.502 nan 8.360 nan 0.000 0.452 255 H N -0.216 118.834 119.070 -0.034 0.000 2.357 255 H HA -0.081 4.483 4.556 0.012 0.000 0.301 255 H C 2.222 177.705 175.328 0.259 0.000 1.082 255 H CA 1.303 57.431 56.048 0.134 0.000 1.342 255 H CB 0.313 30.180 29.762 0.175 0.000 1.389 255 H HN 0.139 nan 8.280 nan 0.000 0.511 256 Q N 0.761 120.690 119.800 0.216 0.000 2.079 256 Q HA -0.184 4.164 4.340 0.012 0.000 0.200 256 Q C 2.563 178.592 176.000 0.047 0.000 0.974 256 Q CA 1.268 57.100 55.803 0.048 0.000 0.840 256 Q CB -0.042 28.667 28.738 -0.049 0.000 0.898 256 Q HN 0.347 nan 8.270 nan 0.000 0.430 257 R N 0.155 120.635 120.500 -0.034 0.000 2.115 257 R HA -0.216 4.131 4.340 0.012 0.000 0.239 257 R C 1.369 177.684 176.300 0.024 0.000 1.133 257 R CA 2.272 58.348 56.100 -0.040 0.000 0.935 257 R CB -0.310 29.935 30.300 -0.092 0.000 0.853 257 R HN 0.402 nan 8.270 nan 0.000 0.433 258 D N -0.456 119.995 120.400 0.085 0.000 2.183 258 D HA -0.136 4.511 4.640 0.012 0.000 0.203 258 D C 1.592 177.997 176.300 0.176 0.000 0.969 258 D CA 0.733 54.790 54.000 0.095 0.000 0.842 258 D CB -0.340 40.501 40.800 0.069 0.000 0.957 258 D HN 0.217 nan 8.370 nan 0.000 0.484 259 F N 1.667 121.694 119.950 0.128 0.000 2.102 259 F HA -0.088 4.445 4.527 0.011 0.000 0.298 259 F C 2.084 177.877 175.800 -0.012 0.000 1.105 259 F CA 0.928 59.020 58.000 0.154 0.000 1.239 259 F CB -0.448 38.728 39.000 0.294 0.000 0.991 259 F HN -0.164 nan 8.300 nan 0.000 0.474 260 I N 0.167 120.565 120.570 -0.287 0.000 2.226 260 I HA -0.295 3.882 4.170 0.012 0.000 0.245 260 I C 2.662 178.582 176.117 -0.329 0.000 1.100 260 I CA 1.286 62.318 61.300 -0.447 0.000 1.374 260 I CB -0.874 36.983 38.000 -0.238 0.000 1.057 260 I HN 0.238 nan 8.210 nan 0.000 0.413 261 A N 0.807 123.558 122.820 -0.115 0.000 1.873 261 A HA -0.156 4.172 4.320 0.012 0.000 0.215 261 A C 2.376 179.929 177.584 -0.053 0.000 1.186 261 A CA 1.412 53.449 52.037 -0.002 0.000 0.616 261 A CB -0.434 18.589 19.000 0.038 0.000 0.823 261 A HN 0.321 nan 8.150 nan 0.000 0.442 262 R N -0.988 119.475 120.500 -0.060 0.000 2.127 262 R HA 0.054 4.401 4.340 0.012 0.000 0.217 262 R C 0.853 177.102 176.300 -0.086 0.000 1.074 262 R CA 1.334 57.410 56.100 -0.039 0.000 0.991 262 R CB 0.007 30.316 30.300 0.016 0.000 0.895 262 R HN 0.548 nan 8.270 nan 0.000 0.450 263 D N -0.475 119.823 120.400 -0.170 0.000 3.208 263 D HA -0.029 4.619 4.640 0.012 0.000 0.281 263 D C 1.639 177.684 176.300 -0.424 0.000 1.328 263 D CA 0.003 53.908 54.000 -0.158 0.000 1.102 263 D CB -0.289 40.596 40.800 0.143 0.000 1.267 263 D HN -0.063 nan 8.370 nan 0.000 0.405 264 L N 2.125 122.837 121.223 -0.851 0.000 2.005 264 L HA 0.099 4.446 4.340 0.012 0.000 0.207 264 L C 2.227 178.652 176.870 -0.742 0.000 1.072 264 L CA 2.305 56.586 54.840 -0.931 0.000 0.744 264 L CB -1.043 40.170 42.059 -1.409 0.000 0.895 264 L HN 0.116 nan 8.230 nan 0.000 0.433 265 G N -0.281 107.992 108.800 -0.878 0.000 2.514 265 G HA2 -0.233 3.734 3.960 0.012 0.000 0.217 265 G HA3 -0.233 3.734 3.960 0.012 0.000 0.217 265 G C -0.607 173.635 174.900 -1.097 0.000 1.198 265 G CA 1.026 45.352 45.100 -1.290 0.000 0.780 265 G HN 0.375 nan 8.290 nan 0.000 0.565 266 P HA -0.034 nan 4.420 nan 0.000 0.216 266 P C 2.045 179.215 177.300 -0.216 0.000 1.150 266 P CA 1.783 64.671 63.100 -0.354 0.000 0.837 266 P CB -0.205 31.366 31.700 -0.215 0.000 0.786 267 T N -0.502 113.905 114.554 -0.244 0.000 2.777 267 T HA -0.066 4.291 4.350 0.012 0.000 0.266 267 T C 1.758 176.397 174.700 -0.101 0.000 1.040 267 T CA 1.049 63.067 62.100 -0.137 0.000 1.141 267 T CB -0.874 67.918 68.868 -0.126 0.000 0.868 267 T HN 0.050 nan 8.240 nan 0.000 0.444 268 L N 0.759 121.886 121.223 -0.160 0.000 2.056 268 L HA -0.013 4.334 4.340 0.012 0.000 0.207 268 L C 3.027 179.903 176.870 0.011 0.000 1.078 268 L CA 1.116 55.913 54.840 -0.071 0.000 0.749 268 L CB -0.619 41.361 42.059 -0.131 0.000 0.901 268 L HN 0.232 nan 8.230 nan 0.000 0.433 269 A N -0.127 122.685 122.820 -0.014 0.000 2.019 269 A HA -0.224 4.104 4.320 0.012 0.000 0.219 269 A C 1.859 179.471 177.584 0.047 0.000 1.164 269 A CA 1.908 53.994 52.037 0.082 0.000 0.644 269 A CB -0.624 18.467 19.000 0.151 0.000 0.805 269 A HN 0.462 nan 8.150 nan 0.000 0.449 270 N N -0.380 118.325 118.700 0.008 0.000 2.313 270 N HA 0.048 4.796 4.740 0.012 0.000 0.207 270 N C 0.209 175.722 175.510 0.004 0.000 1.141 270 N CA 0.642 53.687 53.050 -0.009 0.000 0.830 270 N CB 0.012 38.490 38.487 -0.015 0.000 1.008 270 N HN 0.487 nan 8.380 nan 0.000 0.481 271 S N -2.557 113.170 115.700 0.045 0.000 2.715 271 S HA 0.262 4.739 4.470 0.012 0.000 0.307 271 S C 1.257 175.893 174.600 0.059 0.000 1.119 271 S CA -0.165 58.060 58.200 0.042 0.000 0.937 271 S CB 0.708 63.965 63.200 0.094 0.000 1.150 271 S HN 0.190 nan 8.310 nan 0.000 0.521 272 T N -1.700 112.792 114.554 -0.104 0.000 3.051 272 T HA -0.036 4.322 4.350 0.012 0.000 0.269 272 T C 0.641 175.198 174.700 -0.238 0.000 1.127 272 T CA 0.917 62.917 62.100 -0.167 0.000 1.107 272 T CB -0.753 67.916 68.868 -0.331 0.000 0.898 272 T HN 0.756 nan 8.240 nan 0.000 0.517 273 H N 0.634 119.738 119.070 0.056 0.000 2.487 273 H HA 0.189 4.751 4.556 0.011 0.000 0.290 273 H C 1.548 176.838 175.328 -0.064 0.000 1.081 273 H CA 0.404 56.438 56.048 -0.024 0.000 1.116 273 H CB -0.402 29.361 29.762 0.001 0.000 1.560 273 H HN 0.845 nan 8.280 nan 0.000 0.548 274 H N -0.441 118.656 119.070 0.046 0.000 2.489 274 H HA -0.049 4.514 4.556 0.012 0.000 0.295 274 H C 1.148 176.484 175.328 0.014 0.000 1.082 274 H CA 1.162 57.223 56.048 0.022 0.000 1.295 274 H CB 0.079 29.845 29.762 0.007 0.000 1.380 274 H HN 0.059 nan 8.280 nan 0.000 0.548 275 N N 0.838 119.272 118.700 -0.444 0.000 2.422 275 N HA 0.021 4.769 4.740 0.012 0.000 0.181 275 N C -0.212 175.212 175.510 -0.143 0.000 1.080 275 N CA 0.282 53.177 53.050 -0.259 0.000 0.893 275 N CB 0.481 38.800 38.487 -0.280 0.000 0.973 275 N HN 0.171 nan 8.380 nan 0.000 0.456 276 V N 3.748 123.601 119.914 -0.102 0.000 2.557 276 V HA -0.064 4.063 4.120 0.012 0.000 0.301 276 V C 0.859 176.829 176.094 -0.207 0.000 1.026 276 V CA -0.042 62.189 62.300 -0.115 0.000 1.137 276 V CB 0.071 31.868 31.823 -0.044 0.000 0.917 276 V HN 0.119 nan 8.190 nan 0.000 0.484 277 R N 3.762 124.036 120.500 -0.377 0.000 2.594 277 R HA 0.365 4.713 4.340 0.012 0.000 0.272 277 R C -0.432 175.676 176.300 -0.320 0.000 1.074 277 R CA -0.678 55.170 56.100 -0.419 0.000 1.105 277 R CB 0.316 30.184 30.300 -0.719 0.000 1.008 277 R HN 0.537 nan 8.270 nan 0.000 0.472 278 L N 3.254 124.366 121.223 -0.186 0.000 2.313 278 L HA 0.404 4.751 4.340 0.012 0.000 0.283 278 L C -1.005 175.788 176.870 -0.128 0.000 1.013 278 L CA -0.260 54.477 54.840 -0.172 0.000 0.816 278 L CB 1.128 43.093 42.059 -0.156 0.000 1.236 278 L HN 0.443 nan 8.230 nan 0.000 0.419 279 L N 6.121 127.251 121.223 -0.155 0.000 2.307 279 L HA 0.541 4.888 4.340 0.012 0.000 0.284 279 L C 0.342 177.153 176.870 -0.099 0.000 1.023 279 L CA -0.659 54.113 54.840 -0.113 0.000 0.810 279 L CB 1.585 43.569 42.059 -0.125 0.000 1.231 279 L HN 0.758 nan 8.230 nan 0.000 0.423 280 M N 2.094 121.647 119.600 -0.078 0.000 2.369 280 M HA 0.489 4.976 4.480 0.012 0.000 0.291 280 M C 0.660 176.911 176.300 -0.083 0.000 1.178 280 M CA -0.290 54.972 55.300 -0.063 0.000 0.996 280 M CB 1.311 33.894 32.600 -0.029 0.000 1.472 280 M HN 0.505 nan 8.290 nan 0.000 0.496 281 L N 0.151 121.319 121.223 -0.092 0.000 3.782 281 L HA -0.345 4.002 4.340 0.012 0.000 0.053 281 L C 0.349 176.984 176.870 -0.392 0.000 4.256 281 L CA 2.969 57.628 54.840 -0.301 0.000 0.725 281 L CB -1.860 40.039 42.059 -0.268 0.000 3.466 281 L HN 1.161 nan 8.230 nan 0.000 0.901 282 D N 0.517 120.726 120.400 -0.319 0.000 2.689 282 D HA -0.098 4.549 4.640 0.012 0.000 0.237 282 D C -0.356 175.434 176.300 -0.850 0.000 1.148 282 D CA 1.446 55.203 54.000 -0.406 0.000 0.656 282 D CB -0.725 39.912 40.800 -0.272 0.000 1.050 282 D HN 0.705 nan 8.370 nan 0.000 0.426 283 D N -1.003 118.926 120.400 -0.785 0.000 2.759 283 D HA 0.167 4.814 4.640 0.012 0.000 0.321 283 D C -0.467 175.571 176.300 -0.437 0.000 1.267 283 D CA -0.441 53.113 54.000 -0.744 0.000 0.933 283 D CB 0.700 41.085 40.800 -0.691 0.000 1.431 283 D HN -0.137 nan 8.370 nan 0.000 0.504 284 Q N 0.787 120.419 119.800 -0.280 0.000 2.304 284 Q HA 0.009 4.357 4.340 0.012 0.000 0.301 284 Q C 1.096 177.007 176.000 -0.147 0.000 1.063 284 Q CA 0.430 56.159 55.803 -0.122 0.000 0.947 284 Q CB 0.223 28.914 28.738 -0.079 0.000 1.201 284 Q HN 0.511 nan 8.270 nan 0.000 0.389 285 R N 1.729 122.182 120.500 -0.080 0.000 2.280 285 R HA -0.122 4.225 4.340 0.012 0.000 0.207 285 R C 1.521 177.781 176.300 -0.067 0.000 1.043 285 R CA 1.020 57.077 56.100 -0.072 0.000 1.006 285 R CB -0.596 29.684 30.300 -0.033 0.000 0.885 285 R HN 0.485 nan 8.270 nan 0.000 0.467 286 L N -0.851 120.324 121.223 -0.079 0.000 2.353 286 L HA 0.008 4.355 4.340 0.012 0.000 0.220 286 L C 1.676 178.526 176.870 -0.034 0.000 1.133 286 L CA 1.398 56.198 54.840 -0.067 0.000 0.798 286 L CB -0.427 41.575 42.059 -0.094 0.000 0.922 286 L HN 0.112 nan 8.230 nan 0.000 0.445 287 L N -0.497 120.681 121.223 -0.074 0.000 2.478 287 L HA 0.142 4.490 4.340 0.012 0.000 0.223 287 L C 0.866 177.792 176.870 0.093 0.000 1.140 287 L CA 0.037 54.852 54.840 -0.041 0.000 0.842 287 L CB -0.145 41.672 42.059 -0.403 0.000 0.953 287 L HN 0.242 nan 8.230 nan 0.000 0.452 288 L N 1.176 122.427 121.223 0.047 0.000 2.334 288 L HA 0.227 4.575 4.340 0.012 0.000 0.277 288 L C -1.350 175.591 176.870 0.117 0.000 1.075 288 L CA -1.379 53.524 54.840 0.104 0.000 0.804 288 L CB 1.076 43.173 42.059 0.065 0.000 1.174 288 L HN -0.187 nan 8.230 nan 0.000 0.438 289 P HA -0.031 nan 4.420 nan 0.000 0.255 289 P C 0.921 178.365 177.300 0.239 0.000 1.248 289 P CA 0.443 63.662 63.100 0.197 0.000 0.807 289 P CB 0.169 31.985 31.700 0.194 0.000 1.150 290 H N -0.230 118.936 119.070 0.161 0.000 2.289 290 H HA -0.171 4.392 4.556 0.012 0.000 0.296 290 H C 1.463 176.896 175.328 0.175 0.000 1.091 290 H CA 2.193 58.334 56.048 0.155 0.000 1.274 290 H CB -0.872 28.983 29.762 0.156 0.000 1.364 290 H HN 0.010 nan 8.280 nan 0.000 0.490 291 W N 0.543 121.770 121.300 -0.120 0.000 2.363 291 W HA -0.055 4.612 4.660 0.011 0.000 0.296 291 W C 2.917 179.314 176.519 -0.203 0.000 1.212 291 W CA 2.094 59.317 57.345 -0.203 0.000 1.260 291 W CB -0.857 28.542 29.460 -0.102 0.000 1.131 291 W HN 0.387 nan 8.180 nan 0.000 0.530 292 A N 0.094 122.961 122.820 0.078 0.000 1.902 292 A HA -0.223 4.104 4.320 0.012 0.000 0.217 292 A C 1.949 179.374 177.584 -0.265 0.000 1.181 292 A CA 1.933 53.881 52.037 -0.148 0.000 0.623 292 A CB -0.634 18.297 19.000 -0.115 0.000 0.818 292 A HN 0.304 nan 8.150 nan 0.000 0.443 293 K N -0.511 119.881 120.400 -0.014 0.000 2.057 293 K HA -0.070 4.257 4.320 0.012 0.000 0.207 293 K C 1.890 178.440 176.600 -0.083 0.000 1.049 293 K CA 1.433 57.768 56.287 0.079 0.000 0.931 293 K CB -0.370 32.213 32.500 0.139 0.000 0.714 293 K HN 0.304 nan 8.250 nan 0.000 0.440 294 V N 0.895 120.670 119.914 -0.233 0.000 2.295 294 V HA -0.212 3.915 4.120 0.012 0.000 0.246 294 V C 2.234 178.205 176.094 -0.206 0.000 1.049 294 V CA 1.507 63.647 62.300 -0.267 0.000 1.024 294 V CB -0.235 31.310 31.823 -0.463 0.000 0.648 294 V HN 0.086 nan 8.190 nan 0.000 0.447 295 V N -0.438 119.344 119.914 -0.219 0.000 2.302 295 V HA -0.127 4.001 4.120 0.012 0.000 0.243 295 V C 2.107 178.098 176.094 -0.173 0.000 1.036 295 V CA 1.649 63.843 62.300 -0.175 0.000 1.020 295 V CB -0.414 31.324 31.823 -0.142 0.000 0.657 295 V HN 0.421 nan 8.190 nan 0.000 0.453 296 L N 0.696 121.757 121.223 -0.271 0.000 2.492 296 L HA -0.022 4.325 4.340 0.012 0.000 0.223 296 L C 2.260 179.059 176.870 -0.119 0.000 1.132 296 L CA 1.357 56.007 54.840 -0.317 0.000 0.850 296 L CB -0.640 40.949 42.059 -0.783 0.000 0.966 296 L HN 0.545 nan 8.230 nan 0.000 0.454 297 T N -5.057 109.474 114.554 -0.039 0.000 3.107 297 T HA 0.003 4.361 4.350 0.012 0.000 0.249 297 T C 0.477 175.176 174.700 -0.001 0.000 1.096 297 T CA -0.342 61.787 62.100 0.047 0.000 1.012 297 T CB -0.190 68.729 68.868 0.085 0.000 0.977 297 T HN -0.001 nan 8.240 nan 0.000 0.527 298 D N 2.709 123.088 120.400 -0.035 0.000 2.359 298 D HA 0.262 4.909 4.640 0.012 0.000 0.230 298 D C -1.486 174.793 176.300 -0.035 0.000 1.118 298 D CA -2.670 51.311 54.000 -0.032 0.000 0.844 298 D CB 2.071 42.847 40.800 -0.040 0.000 1.059 298 D HN 0.010 nan 8.370 nan 0.000 0.493 299 P HA -0.095 nan 4.420 nan 0.000 0.223 299 P C 0.835 178.094 177.300 -0.068 0.000 1.151 299 P CA 0.637 63.709 63.100 -0.047 0.000 0.787 299 P CB 0.648 32.325 31.700 -0.038 0.000 0.788 300 E N 0.139 120.316 120.200 -0.038 0.000 2.106 300 E HA -0.066 4.292 4.350 0.012 0.000 0.192 300 E C 2.091 178.716 176.600 0.043 0.000 0.984 300 E CA 1.262 57.656 56.400 -0.010 0.000 0.806 300 E CB -0.729 28.988 29.700 0.029 0.000 0.750 300 E HN 0.234 nan 8.360 nan 0.000 0.458 301 A N 1.300 124.134 122.820 0.024 0.000 1.874 301 A HA 0.106 4.433 4.320 0.012 0.000 0.214 301 A C 2.407 179.994 177.584 0.006 0.000 1.189 301 A CA 1.502 53.569 52.037 0.050 0.000 0.615 301 A CB -0.561 18.430 19.000 -0.015 0.000 0.830 301 A HN 0.236 nan 8.150 nan 0.000 0.443 302 A N 1.265 124.047 122.820 -0.063 0.000 1.978 302 A HA -0.218 4.109 4.320 0.012 0.000 0.220 302 A C 2.044 179.554 177.584 -0.124 0.000 1.170 302 A CA 2.031 54.013 52.037 -0.092 0.000 0.636 302 A CB -0.626 18.324 19.000 -0.083 0.000 0.810 302 A HN 0.718 nan 8.150 nan 0.000 0.448 303 K N -1.842 118.421 120.400 -0.229 0.000 2.362 303 K HA -0.101 4.226 4.320 0.012 0.000 0.200 303 K C 1.152 177.507 176.600 -0.408 0.000 1.046 303 K CA 1.501 57.576 56.287 -0.353 0.000 0.952 303 K CB -0.399 31.806 32.500 -0.492 0.000 0.753 303 K HN 0.594 nan 8.250 nan 0.000 0.466 304 Y N 0.957 121.214 120.300 -0.072 0.000 2.478 304 Y HA 0.171 4.729 4.550 0.013 0.000 0.261 304 Y C 0.431 176.280 175.900 -0.084 0.000 1.127 304 Y CA -0.697 57.351 58.100 -0.087 0.000 1.288 304 Y CB 1.041 39.423 38.460 -0.130 0.000 1.084 304 Y HN -0.212 nan 8.280 nan 0.000 0.530 305 V N 0.935 120.871 119.914 0.036 0.000 2.348 305 V HA 0.025 4.152 4.120 0.012 0.000 0.270 305 V C 0.679 176.783 176.094 0.017 0.000 1.037 305 V CA -0.278 62.021 62.300 -0.001 0.000 0.872 305 V CB 0.902 32.692 31.823 -0.055 0.000 1.002 305 V HN 0.317 nan 8.190 nan 0.000 0.464 306 H N 4.195 123.224 119.070 -0.068 0.000 2.415 306 H HA 0.358 4.921 4.556 0.012 0.000 0.297 306 H C 0.842 176.153 175.328 -0.028 0.000 1.048 306 H CA 1.225 57.243 56.048 -0.050 0.000 1.365 306 H CB 0.550 30.265 29.762 -0.079 0.000 1.421 306 H HN 0.738 nan 8.280 nan 0.000 0.533 307 G N -0.899 107.831 108.800 -0.117 0.000 2.606 307 G HA2 0.466 4.433 3.960 0.012 0.000 0.300 307 G HA3 0.466 4.433 3.960 0.012 0.000 0.300 307 G C -1.607 173.261 174.900 -0.053 0.000 1.360 307 G CA -0.639 44.386 45.100 -0.125 0.000 0.783 307 G HN 0.139 nan 8.290 nan 0.000 0.484 308 I N 0.870 121.436 120.570 -0.006 0.000 2.447 308 I HA 0.579 4.756 4.170 0.012 0.000 0.287 308 I C 0.284 176.434 176.117 0.056 0.000 1.023 308 I CA -0.860 60.439 61.300 -0.001 0.000 1.083 308 I CB 2.089 40.090 38.000 0.001 0.000 1.245 308 I HN 0.642 nan 8.210 nan 0.000 0.434 309 A N 6.581 129.420 122.820 0.032 0.000 2.301 309 A HA 0.806 5.133 4.320 0.012 0.000 0.312 309 A C -0.357 177.216 177.584 -0.018 0.000 1.182 309 A CA -0.480 51.616 52.037 0.098 0.000 0.826 309 A CB 0.998 20.069 19.000 0.118 0.000 1.134 309 A HN 0.595 nan 8.150 nan 0.000 0.501 310 V N 0.637 120.549 119.914 -0.003 0.000 2.864 310 V HA 0.655 4.782 4.120 0.012 0.000 0.314 310 V C -0.429 175.699 176.094 0.057 0.000 1.073 310 V CA -0.762 61.509 62.300 -0.048 0.000 0.956 310 V CB 1.221 33.016 31.823 -0.046 0.000 1.023 310 V HN 0.947 nan 8.190 nan 0.000 0.435 311 H N 2.419 121.396 119.070 -0.156 0.000 2.616 311 H HA 0.345 4.908 4.556 0.012 0.000 0.353 311 H C -0.401 174.884 175.328 -0.071 0.000 1.170 311 H CA -0.366 55.582 56.048 -0.166 0.000 1.212 311 H CB 2.209 31.960 29.762 -0.019 0.000 1.653 311 H HN 0.973 nan 8.280 nan 0.000 0.537 312 W N 2.282 123.348 121.300 -0.390 0.000 3.278 312 W HA 0.056 4.723 4.660 0.012 0.000 0.308 312 W C -0.121 176.294 176.519 -0.174 0.000 1.253 312 W CA -0.309 56.856 57.345 -0.299 0.000 1.759 312 W CB -1.095 28.173 29.460 -0.321 0.000 1.093 312 W HN 0.643 nan 8.180 nan 0.000 0.648 313 Y N 1.386 121.834 120.300 0.245 0.000 2.373 313 Y HA 0.030 4.587 4.550 0.012 0.000 0.293 313 Y C 1.884 177.808 175.900 0.040 0.000 1.129 313 Y CA 1.315 59.453 58.100 0.063 0.000 1.226 313 Y CB -0.258 38.313 38.460 0.185 0.000 1.000 313 Y HN -0.180 nan 8.280 nan 0.000 0.549 314 L N 0.032 121.370 121.223 0.190 0.000 3.062 314 L HA 0.150 4.498 4.340 0.012 0.000 0.255 314 L C 0.431 177.281 176.870 -0.033 0.000 1.274 314 L CA -0.185 54.731 54.840 0.127 0.000 1.047 314 L CB 0.122 42.197 42.059 0.027 0.000 1.402 314 L HN 0.060 nan 8.230 nan 0.000 0.550 315 D N 1.016 121.428 120.400 0.020 0.000 2.221 315 D HA -0.220 4.427 4.640 0.012 0.000 0.204 315 D C 1.967 178.267 176.300 0.001 0.000 0.982 315 D CA 1.376 55.371 54.000 -0.008 0.000 0.857 315 D CB 0.021 40.826 40.800 0.009 0.000 0.934 315 D HN 0.527 nan 8.370 nan 0.000 0.475 316 F N -0.434 119.491 119.950 -0.041 0.000 2.365 316 F HA 0.033 4.567 4.527 0.012 0.000 0.300 316 F C 1.667 177.466 175.800 -0.002 0.000 1.090 316 F CA 0.565 58.556 58.000 -0.015 0.000 1.408 316 F CB -0.573 38.423 39.000 -0.006 0.000 1.060 316 F HN -0.117 nan 8.300 nan 0.000 0.534 317 L N 0.536 121.242 121.223 -0.862 0.000 2.591 317 L HA 0.336 4.684 4.340 0.012 0.000 0.228 317 L C 0.684 177.385 176.870 -0.282 0.000 1.133 317 L CA 0.201 54.651 54.840 -0.649 0.000 0.880 317 L CB -0.182 41.436 42.059 -0.734 0.000 1.033 317 L HN 0.313 nan 8.230 nan 0.000 0.450 318 A N 0.351 123.056 122.820 -0.192 0.000 2.855 318 A HA 0.527 4.854 4.320 0.012 0.000 0.313 318 A C -2.579 174.949 177.584 -0.093 0.000 1.173 318 A CA -1.149 50.816 52.037 -0.121 0.000 0.753 318 A CB 0.091 19.027 19.000 -0.108 0.000 1.200 318 A HN -0.159 nan 8.150 nan 0.000 0.442 319 P HA 0.117 nan 4.420 nan 0.000 0.262 319 P C 1.205 178.394 177.300 -0.185 0.000 1.182 319 P CA 0.748 63.782 63.100 -0.110 0.000 0.761 319 P CB 0.943 32.593 31.700 -0.083 0.000 0.795 320 A N 4.663 127.296 122.820 -0.313 0.000 1.940 320 A HA -0.245 4.083 4.320 0.012 0.000 0.219 320 A C 2.100 179.340 177.584 -0.574 0.000 1.176 320 A CA 1.736 53.482 52.037 -0.486 0.000 0.631 320 A CB -0.926 17.616 19.000 -0.763 0.000 0.814 320 A HN 0.565 nan 8.150 nan 0.000 0.446 321 K N -0.443 119.602 120.400 -0.592 0.000 2.057 321 K HA -0.024 4.303 4.320 0.012 0.000 0.206 321 K C 2.021 178.591 176.600 -0.050 0.000 1.050 321 K CA 1.104 57.242 56.287 -0.249 0.000 0.935 321 K CB -0.282 32.181 32.500 -0.062 0.000 0.715 321 K HN 0.372 nan 8.250 nan 0.000 0.439 322 A N 0.293 123.074 122.820 -0.065 0.000 2.119 322 A HA -0.075 4.252 4.320 0.012 0.000 0.217 322 A C 1.831 179.421 177.584 0.011 0.000 1.153 322 A CA 1.804 53.835 52.037 -0.011 0.000 0.692 322 A CB -0.367 18.621 19.000 -0.020 0.000 0.799 322 A HN 0.622 nan 8.150 nan 0.000 0.458 323 T N -3.183 111.367 114.554 -0.006 0.000 3.397 323 T HA 0.228 4.585 4.350 0.012 0.000 0.233 323 T C 1.797 176.538 174.700 0.068 0.000 0.969 323 T CA 0.520 62.635 62.100 0.024 0.000 1.316 323 T CB -0.617 68.243 68.868 -0.012 0.000 1.175 323 T HN 0.102 nan 8.240 nan 0.000 0.381 324 L N 1.483 122.740 121.223 0.058 0.000 2.027 324 L HA 0.157 4.505 4.340 0.012 0.000 0.206 324 L C 3.151 180.177 176.870 0.260 0.000 1.074 324 L CA 1.647 56.575 54.840 0.147 0.000 0.745 324 L CB -1.164 40.980 42.059 0.143 0.000 0.898 324 L HN 0.569 nan 8.230 nan 0.000 0.433 325 G N -0.193 108.770 108.800 0.271 0.000 2.459 325 G HA2 -0.339 3.628 3.960 0.012 0.000 0.217 325 G HA3 -0.339 3.628 3.960 0.012 0.000 0.217 325 G C 1.468 176.519 174.900 0.252 0.000 1.183 325 G CA 1.024 46.361 45.100 0.394 0.000 0.776 325 G HN 0.319 nan 8.290 nan 0.000 0.552 326 E N 0.377 120.674 120.200 0.162 0.000 2.072 326 E HA -0.069 4.288 4.350 0.012 0.000 0.191 326 E C 2.660 179.325 176.600 0.108 0.000 0.985 326 E CA 1.660 58.126 56.400 0.109 0.000 0.801 326 E CB -0.649 29.101 29.700 0.084 0.000 0.750 326 E HN 0.333 nan 8.360 nan 0.000 0.452 327 T N 0.115 114.767 114.554 0.163 0.000 2.720 327 T HA -0.199 4.158 4.350 0.012 0.000 0.268 327 T C 1.670 176.494 174.700 0.207 0.000 1.037 327 T CA 1.466 63.703 62.100 0.229 0.000 1.144 327 T CB -0.549 68.456 68.868 0.228 0.000 0.864 327 T HN 0.393 nan 8.240 nan 0.000 0.444 328 H N 1.265 120.377 119.070 0.070 0.000 2.387 328 H HA 0.012 4.576 4.556 0.012 0.000 0.299 328 H C 2.619 177.890 175.328 -0.095 0.000 1.090 328 H CA 1.409 57.427 56.048 -0.050 0.000 1.332 328 H CB -0.052 29.533 29.762 -0.296 0.000 1.386 328 H HN 0.238 nan 8.280 nan 0.000 0.516 329 R N 0.361 120.781 120.500 -0.134 0.000 2.081 329 R HA -0.090 4.257 4.340 0.012 0.000 0.235 329 R C 2.596 178.732 176.300 -0.273 0.000 1.131 329 R CA 1.286 57.275 56.100 -0.186 0.000 0.960 329 R CB -0.048 30.226 30.300 -0.044 0.000 0.856 329 R HN 0.320 nan 8.270 nan 0.000 0.436 330 L N -0.780 120.252 121.223 -0.318 0.000 2.131 330 L HA -0.006 4.341 4.340 0.012 0.000 0.206 330 L C 0.445 176.732 176.870 -0.972 0.000 1.087 330 L CA 0.864 55.303 54.840 -0.669 0.000 0.767 330 L CB 0.101 41.667 42.059 -0.822 0.000 0.917 330 L HN 0.081 nan 8.230 nan 0.000 0.441 331 F N -0.555 119.331 119.950 -0.107 0.000 2.584 331 F HA 0.300 4.835 4.527 0.013 0.000 0.328 331 F C -1.633 174.075 175.800 -0.154 0.000 1.407 331 F CA -1.550 56.390 58.000 -0.100 0.000 1.145 331 F CB 0.306 39.277 39.000 -0.049 0.000 1.440 331 F HN -0.159 nan 8.300 nan 0.000 0.580 332 P HA -0.116 nan 4.420 nan 0.000 0.225 332 P C 0.431 177.699 177.300 -0.054 0.000 1.148 332 P CA 1.280 64.162 63.100 -0.362 0.000 0.779 332 P CB 0.367 31.820 31.700 -0.412 0.000 0.780 333 N N -0.856 117.849 118.700 0.008 0.000 2.230 333 N HA 0.040 4.787 4.740 0.012 0.000 0.202 333 N C -0.019 175.505 175.510 0.023 0.000 1.119 333 N CA 0.424 53.494 53.050 0.033 0.000 0.851 333 N CB 0.142 38.644 38.487 0.025 0.000 0.990 333 N HN 0.082 nan 8.380 nan 0.000 0.497 334 T N 2.588 117.169 114.554 0.046 0.000 2.743 334 T HA 0.319 4.676 4.350 0.012 0.000 0.292 334 T C 0.590 175.297 174.700 0.011 0.000 0.972 334 T CA -0.730 61.361 62.100 -0.016 0.000 0.967 334 T CB 0.799 69.659 68.868 -0.015 0.000 0.926 334 T HN 0.091 nan 8.240 nan 0.000 0.459 335 M N 3.554 123.112 119.600 -0.069 0.000 2.245 335 M HA 0.429 4.917 4.480 0.012 0.000 0.344 335 M C -0.914 175.436 176.300 0.082 0.000 1.170 335 M CA 0.131 55.445 55.300 0.024 0.000 1.135 335 M CB -0.260 32.337 32.600 -0.006 0.000 1.574 335 M HN 0.348 nan 8.290 nan 0.000 0.452 336 L N 3.734 125.047 121.223 0.149 0.000 2.307 336 L HA 0.681 5.029 4.340 0.012 0.000 0.282 336 L C -1.022 175.986 176.870 0.230 0.000 1.051 336 L CA -0.330 54.608 54.840 0.163 0.000 0.804 336 L CB 1.020 43.174 42.059 0.159 0.000 1.197 336 L HN 0.831 nan 8.230 nan 0.000 0.431 337 F N 2.355 122.324 119.950 0.031 0.000 2.574 337 F HA 0.673 5.207 4.527 0.012 0.000 0.313 337 F C -0.432 175.351 175.800 -0.029 0.000 1.130 337 F CA -0.713 57.301 58.000 0.024 0.000 0.936 337 F CB 1.472 40.526 39.000 0.090 0.000 1.219 337 F HN 0.441 nan 8.300 nan 0.000 0.445 338 A N 3.372 125.797 122.820 -0.659 0.000 2.302 338 A HA 0.475 4.803 4.320 0.012 0.000 0.295 338 A C 0.401 177.463 177.584 -0.871 0.000 1.235 338 A CA 0.263 51.921 52.037 -0.632 0.000 0.876 338 A CB 0.040 18.650 19.000 -0.650 0.000 1.133 338 A HN 1.030 nan 8.150 nan 0.000 0.533 339 S N 1.112 116.551 115.700 -0.434 0.000 2.539 339 S HA 0.301 4.778 4.470 0.012 0.000 0.221 339 S C 0.187 174.521 174.600 -0.444 0.000 0.987 339 S CA 0.117 58.175 58.200 -0.238 0.000 0.929 339 S CB 0.125 63.438 63.200 0.188 0.000 0.832 339 S HN 0.796 nan 8.310 nan 0.000 0.492 340 E N -0.201 119.543 120.200 -0.760 0.000 2.381 340 E HA 0.602 4.959 4.350 0.012 0.000 0.286 340 E C -2.053 173.869 176.600 -1.131 0.000 0.960 340 E CA -0.480 55.367 56.400 -0.922 0.000 0.793 340 E CB 1.885 30.871 29.700 -1.191 0.000 1.225 340 E HN 0.349 nan 8.360 nan 0.000 0.420 341 A N 2.101 124.215 122.820 -1.178 0.000 2.547 341 A HA 0.772 5.100 4.320 0.012 0.000 0.297 341 A C -1.159 175.970 177.584 -0.759 0.000 1.056 341 A CA -0.471 50.543 52.037 -1.706 0.000 0.688 341 A CB 0.770 18.207 19.000 -2.605 0.000 1.282 341 A HN 0.875 nan 8.150 nan 0.000 0.400 342 C N 0.453 119.619 119.300 -0.223 0.000 3.170 342 C HA 0.904 5.371 4.460 0.012 0.000 0.319 342 C C -0.216 175.200 174.990 0.710 0.000 1.260 342 C CA -0.220 59.017 59.018 0.365 0.000 1.374 342 C CB 0.640 28.664 27.740 0.473 0.000 1.739 342 C HN 1.881 nan 8.230 nan 0.000 0.479 343 V N 0.144 120.415 119.914 0.596 0.000 3.096 343 V HA 0.971 5.099 4.120 0.012 0.000 0.319 343 V C 1.023 177.294 176.094 0.296 0.000 1.082 343 V CA 0.412 63.011 62.300 0.499 0.000 1.022 343 V CB 0.737 32.781 31.823 0.368 0.000 1.103 343 V HN 2.863 nan 8.190 nan 0.000 0.455 344 G N 1.307 110.216 108.800 0.181 0.000 2.159 344 G HA2 -0.259 3.708 3.960 0.012 0.000 0.256 344 G HA3 -0.259 3.708 3.960 0.012 0.000 0.256 344 G C 0.778 175.736 174.900 0.097 0.000 0.977 344 G CA 0.996 46.155 45.100 0.098 0.000 0.652 344 G HN 1.725 nan 8.290 nan 0.000 0.531 345 S N -0.886 114.899 115.700 0.142 0.000 2.470 345 S HA 0.267 4.745 4.470 0.012 0.000 0.225 345 S C 1.099 175.670 174.600 -0.049 0.000 1.006 345 S CA 0.554 58.826 58.200 0.120 0.000 0.934 345 S CB 0.470 63.808 63.200 0.230 0.000 0.778 345 S HN 0.333 nan 8.310 nan 0.000 0.517 346 K N 1.756 122.015 120.400 -0.236 0.000 2.382 346 K HA 0.215 4.543 4.320 0.012 0.000 0.275 346 K C 0.478 176.765 176.600 -0.521 0.000 1.009 346 K CA -0.739 55.173 56.287 -0.625 0.000 0.970 346 K CB -0.063 31.651 32.500 -1.310 0.000 0.934 346 K HN 0.141 nan 8.250 nan 0.000 0.479 347 F N 1.854 121.493 119.950 -0.519 0.000 2.192 347 F HA -0.223 4.312 4.527 0.012 0.000 0.301 347 F C 1.393 177.167 175.800 -0.043 0.000 1.079 347 F CA 1.599 59.504 58.000 -0.159 0.000 1.303 347 F CB -0.029 38.995 39.000 0.039 0.000 1.024 347 F HN 0.728 nan 8.300 nan 0.000 0.494 348 W N 0.126 121.441 121.300 0.025 0.000 3.220 348 W HA 0.390 5.057 4.660 0.013 0.000 0.328 348 W C 0.211 176.705 176.519 -0.043 0.000 1.205 348 W CA -0.604 56.700 57.345 -0.069 0.000 1.773 348 W CB -1.142 28.319 29.460 0.001 0.000 1.086 348 W HN -0.165 nan 8.180 nan 0.000 0.622 349 E N 1.879 121.914 120.200 -0.275 0.000 2.283 349 E HA 0.098 4.455 4.350 0.012 0.000 0.271 349 E C -0.273 176.295 176.600 -0.053 0.000 1.031 349 E CA -0.786 55.542 56.400 -0.120 0.000 0.868 349 E CB 1.014 30.589 29.700 -0.208 0.000 1.094 349 E HN 0.089 nan 8.360 nan 0.000 0.401 350 Q N 1.258 121.054 119.800 -0.006 0.000 2.327 350 Q HA 0.074 4.422 4.340 0.012 0.000 0.254 350 Q C 0.223 176.222 176.000 -0.001 0.000 0.952 350 Q CA -0.108 55.696 55.803 0.001 0.000 0.884 350 Q CB 1.031 29.773 28.738 0.007 0.000 1.224 350 Q HN 0.525 nan 8.270 nan 0.000 0.422 351 S N 2.029 117.748 115.700 0.030 0.000 2.348 351 S HA -0.051 4.426 4.470 0.012 0.000 0.221 351 S C 0.268 174.886 174.600 0.031 0.000 1.033 351 S CA 0.807 59.049 58.200 0.070 0.000 1.010 351 S CB 0.279 63.559 63.200 0.133 0.000 0.891 351 S HN 0.531 nan 8.310 nan 0.000 0.442 352 V N 1.774 121.675 119.914 -0.021 0.000 2.444 352 V HA 0.440 4.568 4.120 0.012 0.000 0.294 352 V C -0.406 175.588 176.094 -0.166 0.000 1.022 352 V CA -0.591 61.668 62.300 -0.069 0.000 0.850 352 V CB 1.598 33.384 31.823 -0.063 0.000 0.992 352 V HN 0.169 nan 8.190 nan 0.000 0.426 353 R N 4.550 124.886 120.500 -0.273 0.000 2.396 353 R HA 0.482 4.829 4.340 0.012 0.000 0.292 353 R C -0.797 175.224 176.300 -0.465 0.000 1.240 353 R CA -0.523 55.190 56.100 -0.645 0.000 1.270 353 R CB 0.955 30.782 30.300 -0.787 0.000 1.108 353 R HN 0.631 nan 8.270 nan 0.000 0.573 354 L N 2.061 123.127 121.223 -0.262 0.000 2.615 354 L HA 0.003 4.350 4.340 0.012 0.000 0.271 354 L C 1.307 178.245 176.870 0.114 0.000 1.183 354 L CA 1.006 55.751 54.840 -0.160 0.000 0.933 354 L CB 0.449 42.162 42.059 -0.577 0.000 1.199 354 L HN 0.979 nan 8.230 nan 0.000 0.487 355 G N 1.988 110.856 108.800 0.114 0.000 2.159 355 G HA2 -0.267 3.701 3.960 0.012 0.000 0.227 355 G HA3 -0.267 3.701 3.960 0.012 0.000 0.227 355 G C 0.346 175.384 174.900 0.230 0.000 0.986 355 G CA 0.115 45.354 45.100 0.232 0.000 0.651 355 G HN 0.654 nan 8.290 nan 0.000 0.523 356 S N 0.024 115.783 115.700 0.098 0.000 2.465 356 S HA 0.287 4.765 4.470 0.012 0.000 0.280 356 S C 1.229 175.912 174.600 0.139 0.000 1.232 356 S CA 0.427 58.676 58.200 0.081 0.000 1.066 356 S CB -0.018 63.131 63.200 -0.085 0.000 0.929 356 S HN 0.435 nan 8.310 nan 0.000 0.494 357 W N 4.474 125.778 121.300 0.007 0.000 2.409 357 W HA -0.127 4.541 4.660 0.012 0.000 0.299 357 W C 1.451 177.916 176.519 -0.090 0.000 1.203 357 W CA 1.567 58.909 57.345 -0.005 0.000 1.298 357 W CB -0.373 29.088 29.460 0.001 0.000 1.127 357 W HN 0.927 nan 8.180 nan 0.000 0.528 358 D N 0.126 120.520 120.400 -0.010 0.000 2.149 358 D HA -0.226 4.421 4.640 0.012 0.000 0.198 358 D C 2.160 178.357 176.300 -0.171 0.000 0.990 358 D CA 1.816 55.751 54.000 -0.109 0.000 0.839 358 D CB -0.110 40.670 40.800 -0.033 0.000 0.948 358 D HN 0.044 nan 8.370 nan 0.000 0.460 359 R N -0.504 119.903 120.500 -0.154 0.000 2.090 359 R HA 0.070 4.417 4.340 0.012 0.000 0.228 359 R C 2.508 178.629 176.300 -0.299 0.000 1.110 359 R CA 1.003 57.019 56.100 -0.139 0.000 0.973 359 R CB -0.411 29.821 30.300 -0.113 0.000 0.869 359 R HN 0.241 nan 8.270 nan 0.000 0.440 360 G N 1.218 109.710 108.800 -0.513 0.000 2.491 360 G HA2 -0.295 3.673 3.960 0.012 0.000 0.218 360 G HA3 -0.295 3.673 3.960 0.012 0.000 0.218 360 G C 1.430 175.683 174.900 -1.079 0.000 1.180 360 G CA 0.904 45.467 45.100 -0.894 0.000 0.774 360 G HN 0.166 nan 8.290 nan 0.000 0.562 361 M N 0.013 119.008 119.600 -1.008 0.000 2.213 361 M HA -0.106 4.381 4.480 0.012 0.000 0.263 361 M C 2.750 179.014 176.300 -0.059 0.000 1.062 361 M CA 1.295 56.321 55.300 -0.455 0.000 1.105 361 M CB -0.393 32.047 32.600 -0.267 0.000 1.385 361 M HN 0.311 nan 8.290 nan 0.000 0.417 362 Q N -0.569 119.237 119.800 0.010 0.000 2.084 362 Q HA -0.188 4.159 4.340 0.012 0.000 0.202 362 Q C 1.928 178.208 176.000 0.468 0.000 0.978 362 Q CA 1.462 57.419 55.803 0.256 0.000 0.844 362 Q CB -0.198 28.727 28.738 0.313 0.000 0.898 362 Q HN 0.461 nan 8.270 nan 0.000 0.426 363 Y N 0.924 121.286 120.300 0.104 0.000 2.070 363 Y HA -0.256 4.301 4.550 0.012 0.000 0.280 363 Y C 2.905 178.650 175.900 -0.258 0.000 1.148 363 Y CA 1.448 59.501 58.100 -0.079 0.000 1.125 363 Y CB -0.932 37.439 38.460 -0.148 0.000 0.975 363 Y HN 0.193 nan 8.280 nan 0.000 0.492 364 S N -1.135 114.624 115.700 0.098 0.000 2.382 364 S HA -0.265 4.212 4.470 0.012 0.000 0.228 364 S C 1.883 176.537 174.600 0.090 0.000 1.027 364 S CA 1.491 59.776 58.200 0.142 0.000 0.991 364 S CB -0.955 62.574 63.200 0.549 0.000 0.823 364 S HN 0.641 nan 8.310 nan 0.000 0.469 365 H N 1.639 120.754 119.070 0.075 0.000 2.353 365 H HA 0.055 4.619 4.556 0.012 0.000 0.300 365 H C 2.362 177.717 175.328 0.045 0.000 1.090 365 H CA 1.738 57.835 56.048 0.081 0.000 1.327 365 H CB -0.693 29.128 29.762 0.098 0.000 1.383 365 H HN 0.430 nan 8.280 nan 0.000 0.508 366 S N -0.693 115.006 115.700 -0.001 0.000 2.356 366 S HA -0.108 4.370 4.470 0.012 0.000 0.223 366 S C 2.239 176.700 174.600 -0.232 0.000 1.032 366 S CA 1.432 59.644 58.200 0.020 0.000 1.005 366 S CB -0.402 63.056 63.200 0.431 0.000 0.867 366 S HN 0.483 nan 8.310 nan 0.000 0.449 367 I N 1.127 121.286 120.570 -0.686 0.000 2.179 367 I HA -0.180 3.997 4.170 0.012 0.000 0.242 367 I C 2.217 178.050 176.117 -0.473 0.000 1.088 367 I CA 1.307 62.052 61.300 -0.926 0.000 1.357 367 I CB -0.389 36.632 38.000 -1.631 0.000 1.051 367 I HN 0.320 nan 8.210 nan 0.000 0.409 368 I N 0.235 120.607 120.570 -0.330 0.000 2.163 368 I HA -0.327 3.851 4.170 0.012 0.000 0.243 368 I C 2.534 178.598 176.117 -0.088 0.000 1.085 368 I CA 1.743 62.999 61.300 -0.072 0.000 1.347 368 I CB -0.531 37.513 38.000 0.074 0.000 1.044 368 I HN 0.256 nan 8.210 nan 0.000 0.408 369 T N 0.381 114.846 114.554 -0.149 0.000 2.746 369 T HA -0.139 4.219 4.350 0.012 0.000 0.267 369 T C 1.727 176.465 174.700 0.062 0.000 1.039 369 T CA 1.284 63.353 62.100 -0.052 0.000 1.142 369 T CB -0.368 68.397 68.868 -0.170 0.000 0.866 369 T HN 0.354 nan 8.240 nan 0.000 0.444 370 N N 1.275 119.986 118.700 0.018 0.000 2.036 370 N HA -0.066 4.682 4.740 0.012 0.000 0.195 370 N C 1.968 177.486 175.510 0.013 0.000 1.037 370 N CA 1.182 54.269 53.050 0.062 0.000 0.855 370 N CB -0.427 38.127 38.487 0.112 0.000 1.033 370 N HN 0.326 nan 8.380 nan 0.000 0.423 371 L N 1.184 122.384 121.223 -0.038 0.000 2.081 371 L HA -0.169 4.178 4.340 0.012 0.000 0.212 371 L C 2.222 178.979 176.870 -0.188 0.000 1.080 371 L CA 1.006 55.808 54.840 -0.063 0.000 0.754 371 L CB -0.414 41.643 42.059 -0.004 0.000 0.893 371 L HN 0.176 nan 8.230 nan 0.000 0.433 372 L N -1.967 119.120 121.223 -0.226 0.000 2.478 372 L HA -0.133 4.215 4.340 0.012 0.000 0.223 372 L C 0.687 177.016 176.870 -0.902 0.000 1.140 372 L CA 0.540 55.077 54.840 -0.505 0.000 0.842 372 L CB -0.091 41.721 42.059 -0.413 0.000 0.953 372 L HN 0.220 nan 8.230 nan 0.000 0.452 373 Y N -0.928 119.158 120.300 -0.357 0.000 2.736 373 Y HA 0.236 4.793 4.550 0.012 0.000 0.293 373 Y C 0.432 176.193 175.900 -0.232 0.000 1.062 373 Y CA -0.679 57.215 58.100 -0.343 0.000 1.247 373 Y CB -0.401 38.013 38.460 -0.075 0.000 1.200 373 Y HN 0.162 nan 8.280 nan 0.000 0.552 374 H N -3.042 115.963 119.070 -0.109 0.000 3.642 374 H HA -0.150 4.414 4.556 0.012 0.000 0.185 374 H C 0.069 175.386 175.328 -0.018 0.000 0.992 374 H CA 0.546 56.516 56.048 -0.130 0.000 1.216 374 H CB -1.623 27.948 29.762 -0.317 0.000 1.055 374 H HN 0.098 nan 8.280 nan 0.000 0.351 375 V N 2.731 122.690 119.914 0.075 0.000 2.637 375 V HA 0.052 4.179 4.120 0.012 0.000 0.296 375 V C 1.969 178.090 176.094 0.045 0.000 1.046 375 V CA 0.723 63.069 62.300 0.076 0.000 1.066 375 V CB 1.579 33.433 31.823 0.052 0.000 0.968 375 V HN 0.345 nan 8.190 nan 0.000 0.483 376 V N 1.854 121.819 119.914 0.086 0.000 3.650 376 V HA 0.643 4.770 4.120 0.012 0.000 0.271 376 V C 0.673 176.750 176.094 -0.029 0.000 1.281 376 V CA 0.972 63.313 62.300 0.069 0.000 1.120 376 V CB -0.164 31.743 31.823 0.141 0.000 0.856 376 V HN 0.957 nan 8.190 nan 0.000 0.443 377 G N -1.438 107.283 108.800 -0.132 0.000 2.576 377 G HA2 0.475 4.443 3.960 0.012 0.000 0.290 377 G HA3 0.475 4.443 3.960 0.012 0.000 0.290 377 G C -2.625 171.882 174.900 -0.655 0.000 1.442 377 G CA -0.620 44.204 45.100 -0.459 0.000 0.792 377 G HN 0.313 nan 8.290 nan 0.000 0.491 378 W N 0.711 121.505 121.300 -0.843 0.000 3.259 378 W HA 0.621 5.289 4.660 0.013 0.000 0.331 378 W C -0.800 175.421 176.519 -0.496 0.000 1.144 378 W CA -0.427 56.541 57.345 -0.628 0.000 1.227 378 W CB 2.456 31.709 29.460 -0.347 0.000 1.371 378 W HN 0.564 nan 8.180 nan 0.000 0.491 379 T N 4.187 118.340 114.554 -0.668 0.000 2.809 379 T HA 0.135 4.492 4.350 0.012 0.000 0.284 379 T C -0.645 173.659 174.700 -0.659 0.000 0.992 379 T CA -0.517 61.310 62.100 -0.455 0.000 0.957 379 T CB 1.340 70.046 68.868 -0.271 0.000 0.942 379 T HN 0.366 nan 8.240 nan 0.000 0.439 380 D N 1.199 121.406 120.400 -0.321 0.000 2.363 380 D HA 0.108 4.755 4.640 0.012 0.000 0.240 380 D C 0.390 176.666 176.300 -0.040 0.000 1.236 380 D CA -0.427 53.444 54.000 -0.214 0.000 0.927 380 D CB 0.814 41.703 40.800 0.150 0.000 1.150 380 D HN 0.553 nan 8.370 nan 0.000 0.458 381 W N 1.278 122.450 121.300 -0.214 0.000 1.692 381 W HA 0.100 4.766 4.660 0.011 0.000 0.644 381 W C 0.214 176.675 176.519 -0.096 0.000 1.365 381 W CA -0.698 56.560 57.345 -0.145 0.000 1.159 381 W CB 0.012 29.396 29.460 -0.128 0.000 3.497 381 W HN 0.221 nan 8.180 nan 0.000 0.768 382 N N 2.863 121.186 118.700 -0.629 0.000 2.223 382 N HA -0.138 4.609 4.740 0.012 0.000 0.271 382 N C 0.965 176.364 175.510 -0.185 0.000 1.315 382 N CA 0.681 53.363 53.050 -0.613 0.000 0.835 382 N CB 0.691 38.686 38.487 -0.820 0.000 1.066 382 N HN 0.346 nan 8.380 nan 0.000 0.486 383 L N 1.172 122.330 121.223 -0.109 0.000 2.079 383 L HA -0.160 4.188 4.340 0.012 0.000 0.210 383 L C 1.063 178.026 176.870 0.155 0.000 1.081 383 L CA 1.155 56.010 54.840 0.024 0.000 0.752 383 L CB -0.149 41.908 42.059 -0.004 0.000 0.896 383 L HN 0.620 nan 8.230 nan 0.000 0.433 384 A N -1.093 121.745 122.820 0.030 0.000 2.574 384 A HA 0.733 5.060 4.320 0.012 0.000 0.297 384 A C -1.153 176.417 177.584 -0.024 0.000 1.062 384 A CA -0.509 51.549 52.037 0.036 0.000 0.686 384 A CB 1.439 20.452 19.000 0.022 0.000 1.285 384 A HN -0.003 nan 8.150 nan 0.000 0.403 385 L N 0.926 122.150 121.223 0.001 0.000 2.322 385 L HA 0.517 4.864 4.340 0.012 0.000 0.252 385 L C -0.080 176.801 176.870 0.018 0.000 1.055 385 L CA -1.239 53.606 54.840 0.008 0.000 0.849 385 L CB 2.223 44.291 42.059 0.016 0.000 1.446 385 L HN 0.990 nan 8.230 nan 0.000 0.416 386 N N -0.489 118.218 118.700 0.011 0.000 2.405 386 N HA 0.326 5.074 4.740 0.012 0.000 0.269 386 N C -2.424 173.070 175.510 -0.027 0.000 1.249 386 N CA -1.767 51.279 53.050 -0.007 0.000 0.974 386 N CB -0.235 38.238 38.487 -0.023 0.000 1.204 386 N HN 0.149 nan 8.380 nan 0.000 0.565 387 P HA 0.023 nan 4.420 nan 0.000 0.228 387 P C 0.651 177.890 177.300 -0.102 0.000 1.151 387 P CA 1.790 64.862 63.100 -0.045 0.000 0.770 387 P CB -0.138 31.553 31.700 -0.014 0.000 0.786 388 E N -0.721 119.370 120.200 -0.182 0.000 2.472 388 E HA 0.343 4.700 4.350 0.012 0.000 0.196 388 E C 1.369 177.729 176.600 -0.400 0.000 1.033 388 E CA 0.595 56.795 56.400 -0.334 0.000 0.886 388 E CB -1.095 28.284 29.700 -0.536 0.000 0.944 388 E HN 0.213 nan 8.360 nan 0.000 0.492 389 G N -1.427 107.262 108.800 -0.185 0.000 2.140 389 G HA2 0.127 4.095 3.960 0.012 0.000 0.211 389 G HA3 0.127 4.095 3.960 0.012 0.000 0.211 389 G C 0.668 175.707 174.900 0.231 0.000 1.013 389 G CA 0.350 45.474 45.100 0.040 0.000 0.705 389 G HN 1.406 nan 8.290 nan 0.000 0.508 390 G N -0.789 108.045 108.800 0.056 0.000 3.166 390 G HA2 0.884 4.851 3.960 0.012 0.000 0.267 390 G HA3 0.884 4.851 3.960 0.012 0.000 0.267 390 G C -2.883 172.126 174.900 0.182 0.000 1.256 390 G CA -0.464 44.793 45.100 0.261 0.000 0.859 390 G HN 0.229 nan 8.290 nan 0.000 0.590 391 P HA 0.209 nan 4.420 nan 0.000 0.274 391 P C -1.081 176.310 177.300 0.152 0.000 1.256 391 P CA -0.284 62.934 63.100 0.197 0.000 0.795 391 P CB 1.246 33.023 31.700 0.128 0.000 1.038 392 N N 1.009 119.750 118.700 0.070 0.000 2.777 392 N HA 0.012 4.760 4.740 0.012 0.000 0.260 392 N C 0.832 176.203 175.510 -0.231 0.000 1.113 392 N CA -0.520 52.346 53.050 -0.307 0.000 0.996 392 N CB 0.723 38.768 38.487 -0.736 0.000 1.584 392 N HN 0.561 nan 8.380 nan 0.000 0.573 393 W N 4.265 125.415 121.300 -0.250 0.000 2.421 393 W HA -0.024 4.648 4.660 0.019 0.000 0.270 393 W C 0.563 176.964 176.519 -0.196 0.000 1.233 393 W CA 1.251 58.496 57.345 -0.167 0.000 1.226 393 W CB -0.851 28.542 29.460 -0.112 0.000 1.121 393 W HN 0.258 nan 8.180 nan 0.000 0.579 394 V N -1.074 118.202 119.914 -1.062 0.000 3.542 394 V HA 0.368 4.496 4.120 0.012 0.000 0.296 394 V C 1.208 176.886 176.094 -0.694 0.000 1.364 394 V CA -0.038 61.693 62.300 -0.948 0.000 1.118 394 V CB -0.801 30.358 31.823 -1.106 0.000 0.972 394 V HN 0.206 nan 8.190 nan 0.000 0.430 395 R N 0.690 120.716 120.500 -0.791 0.000 3.656 395 R HA -0.216 4.131 4.340 0.012 0.000 0.297 395 R C 0.457 176.014 176.300 -1.237 0.000 1.166 395 R CA 1.043 56.407 56.100 -1.227 0.000 0.799 395 R CB -2.613 27.258 30.300 -0.715 0.000 1.285 395 R HN 0.798 nan 8.270 nan 0.000 0.477 396 N N 1.120 119.258 118.700 -0.937 0.000 3.303 396 N HA 0.079 4.827 4.740 0.012 0.000 0.304 396 N C -0.416 174.902 175.510 -0.320 0.000 1.302 396 N CA -0.148 52.570 53.050 -0.554 0.000 1.213 396 N CB 0.081 38.240 38.487 -0.547 0.000 1.481 396 N HN 0.106 nan 8.380 nan 0.000 0.546 397 F N 1.008 120.926 119.950 -0.053 0.000 2.529 397 F HA 0.109 4.643 4.527 0.011 0.000 0.365 397 F C 1.105 177.014 175.800 0.181 0.000 1.102 397 F CA -0.638 57.415 58.000 0.087 0.000 1.271 397 F CB 0.722 39.743 39.000 0.034 0.000 1.120 397 F HN -0.026 nan 8.300 nan 0.000 0.579 398 V N -0.780 119.425 119.914 0.486 0.000 3.105 398 V HA 0.589 4.716 4.120 0.012 0.000 0.311 398 V C -1.148 175.074 176.094 0.214 0.000 1.287 398 V CA -0.901 61.596 62.300 0.328 0.000 1.066 398 V CB 1.904 33.961 31.823 0.390 0.000 1.105 398 V HN 0.569 nan 8.190 nan 0.000 0.462 399 D N 0.003 120.504 120.400 0.167 0.000 2.387 399 D HA 0.733 5.381 4.640 0.012 0.000 0.255 399 D C -0.711 175.644 176.300 0.091 0.000 1.081 399 D CA 0.171 54.228 54.000 0.095 0.000 0.994 399 D CB 2.048 42.883 40.800 0.060 0.000 1.127 399 D HN 0.943 nan 8.370 nan 0.000 0.513 400 S N -0.250 115.488 115.700 0.063 0.000 2.537 400 S HA 0.464 4.941 4.470 0.012 0.000 0.270 400 S C -2.339 172.326 174.600 0.108 0.000 1.142 400 S CA -1.218 57.034 58.200 0.085 0.000 0.870 400 S CB 1.732 64.959 63.200 0.045 0.000 1.112 400 S HN 0.128 nan 8.310 nan 0.000 0.466 401 P HA 0.189 nan 4.420 nan 0.000 0.222 401 P C -0.302 177.125 177.300 0.212 0.000 1.147 401 P CA 0.938 64.176 63.100 0.229 0.000 0.790 401 P CB 0.056 32.000 31.700 0.408 0.000 0.780 402 I N -0.093 120.588 120.570 0.185 0.000 2.466 402 I HA 0.255 4.432 4.170 0.012 0.000 0.289 402 I C -0.540 175.640 176.117 0.105 0.000 1.026 402 I CA -0.946 60.417 61.300 0.104 0.000 1.078 402 I CB 2.227 40.233 38.000 0.010 0.000 1.249 402 I HN -0.296 nan 8.210 nan 0.000 0.429 403 I N 6.992 127.644 120.570 0.136 0.000 2.378 403 I HA 0.322 4.500 4.170 0.012 0.000 0.291 403 I C -0.026 176.150 176.117 0.098 0.000 0.992 403 I CA -0.733 60.640 61.300 0.122 0.000 1.154 403 I CB 1.898 39.994 38.000 0.160 0.000 1.315 403 I HN 0.113 nan 8.210 nan 0.000 0.448 404 V N 5.725 125.666 119.914 0.046 0.000 2.432 404 V HA 0.197 4.324 4.120 0.012 0.000 0.275 404 V C 0.050 176.144 176.094 0.000 0.000 1.043 404 V CA -0.406 61.901 62.300 0.012 0.000 0.925 404 V CB 1.548 33.368 31.823 -0.005 0.000 0.985 404 V HN 0.587 nan 8.190 nan 0.000 0.466 405 D N 4.298 124.665 120.400 -0.055 0.000 2.485 405 D HA 0.228 4.876 4.640 0.012 0.000 0.229 405 D C 0.799 177.101 176.300 0.003 0.000 1.101 405 D CA -0.247 53.753 54.000 -0.000 0.000 0.906 405 D CB 1.160 41.974 40.800 0.022 0.000 1.019 405 D HN 0.526 nan 8.370 nan 0.000 0.516 406 I N 2.664 123.243 120.570 0.015 0.000 2.315 406 I HA -0.204 3.973 4.170 0.012 0.000 0.248 406 I C 1.810 177.939 176.117 0.020 0.000 1.117 406 I CA 1.390 62.699 61.300 0.015 0.000 1.404 406 I CB 0.158 38.166 38.000 0.014 0.000 1.071 406 I HN 0.364 nan 8.210 nan 0.000 0.419 407 T N -2.313 112.257 114.554 0.026 0.000 3.098 407 T HA -0.060 4.297 4.350 0.012 0.000 0.266 407 T C 1.362 176.080 174.700 0.030 0.000 1.145 407 T CA 0.748 62.865 62.100 0.028 0.000 1.092 407 T CB -0.263 68.624 68.868 0.033 0.000 0.908 407 T HN 0.435 nan 8.240 nan 0.000 0.526 408 K N 0.436 120.853 120.400 0.028 0.000 2.447 408 K HA 0.157 4.484 4.320 0.012 0.000 0.205 408 K C -0.019 176.586 176.600 0.009 0.000 1.059 408 K CA 0.051 56.353 56.287 0.025 0.000 1.065 408 K CB 0.433 32.960 32.500 0.044 0.000 0.885 408 K HN 0.137 nan 8.250 nan 0.000 0.545 409 D N 2.212 122.619 120.400 0.012 0.000 2.704 409 D HA -0.148 4.499 4.640 0.012 0.000 0.232 409 D C -1.153 175.151 176.300 0.006 0.000 1.183 409 D CA 1.106 55.118 54.000 0.020 0.000 0.647 409 D CB -0.715 40.100 40.800 0.026 0.000 1.013 409 D HN 0.120 nan 8.370 nan 0.000 0.415 410 T N 0.453 114.979 114.554 -0.045 0.000 2.906 410 T HA 0.724 5.081 4.350 0.012 0.000 0.295 410 T C -0.315 174.254 174.700 -0.217 0.000 1.061 410 T CA -0.687 61.307 62.100 -0.176 0.000 1.000 410 T CB 1.240 69.960 68.868 -0.247 0.000 1.103 410 T HN 0.202 nan 8.240 nan 0.000 0.486 411 F N -0.277 119.406 119.950 -0.445 0.000 2.599 411 F HA 0.798 5.333 4.527 0.013 0.000 0.311 411 F C -1.854 173.636 175.800 -0.516 0.000 1.076 411 F CA -1.600 56.103 58.000 -0.495 0.000 0.937 411 F CB 1.141 39.993 39.000 -0.248 0.000 1.282 411 F HN 0.491 nan 8.300 nan 0.000 0.460 412 Y N 1.203 121.564 120.300 0.102 0.000 2.335 412 Y HA 0.508 5.065 4.550 0.013 0.000 0.338 412 Y C -0.482 175.435 175.900 0.028 0.000 0.977 412 Y CA -1.112 56.997 58.100 0.015 0.000 1.114 412 Y CB 1.964 40.437 38.460 0.020 0.000 1.182 412 Y HN 0.444 nan 8.280 nan 0.000 0.463 413 K N 4.050 124.516 120.400 0.111 0.000 2.248 413 K HA 0.256 4.583 4.320 0.012 0.000 0.281 413 K C -0.388 176.352 176.600 0.233 0.000 1.054 413 K CA -0.610 55.662 56.287 -0.026 0.000 0.903 413 K CB 0.919 33.148 32.500 -0.450 0.000 1.077 413 K HN 0.579 nan 8.250 nan 0.000 0.474 414 Q N 2.616 122.559 119.800 0.238 0.000 2.256 414 Q HA 0.105 4.452 4.340 0.012 0.000 0.232 414 Q C -1.732 174.515 176.000 0.412 0.000 0.965 414 Q CA -1.997 53.969 55.803 0.271 0.000 0.908 414 Q CB 0.643 29.471 28.738 0.150 0.000 1.209 414 Q HN 0.273 nan 8.270 nan 0.000 0.489 415 P HA -0.223 nan 4.420 nan 0.000 0.217 415 P C 1.187 178.681 177.300 0.325 0.000 1.151 415 P CA 1.756 65.122 63.100 0.444 0.000 0.849 415 P CB 0.088 31.962 31.700 0.290 0.000 0.787 416 M N -2.946 116.696 119.600 0.069 0.000 2.144 416 M HA -0.206 4.281 4.480 0.012 0.000 0.260 416 M C 2.013 178.415 176.300 0.170 0.000 1.067 416 M CA 1.809 57.051 55.300 -0.096 0.000 1.095 416 M CB -0.891 31.437 32.600 -0.454 0.000 1.365 416 M HN -0.069 nan 8.290 nan 0.000 0.406 417 F N 0.196 120.195 119.950 0.081 0.000 2.102 417 F HA -0.269 4.265 4.527 0.012 0.000 0.298 417 F C 1.888 177.651 175.800 -0.061 0.000 1.105 417 F CA 1.720 59.704 58.000 -0.027 0.000 1.239 417 F CB -0.430 38.424 39.000 -0.245 0.000 0.991 417 F HN 0.009 nan 8.300 nan 0.000 0.474 418 Y N -0.813 119.705 120.300 0.364 0.000 2.314 418 Y HA -0.177 4.381 4.550 0.013 0.000 0.293 418 Y C 2.773 178.836 175.900 0.271 0.000 1.129 418 Y CA 1.717 59.993 58.100 0.293 0.000 1.201 418 Y CB -0.950 37.748 38.460 0.396 0.000 0.999 418 Y HN 0.182 nan 8.280 nan 0.000 0.541 419 H N -0.553 118.698 119.070 0.302 0.000 2.357 419 H HA -0.121 4.442 4.556 0.012 0.000 0.301 419 H C 2.312 177.826 175.328 0.309 0.000 1.082 419 H CA 1.548 57.748 56.048 0.253 0.000 1.342 419 H CB -0.274 29.533 29.762 0.075 0.000 1.389 419 H HN 0.329 nan 8.280 nan 0.000 0.511 420 L N 0.017 121.422 121.223 0.304 0.000 2.012 420 L HA -0.149 4.199 4.340 0.012 0.000 0.210 420 L C 2.849 179.755 176.870 0.060 0.000 1.073 420 L CA 1.322 56.264 54.840 0.170 0.000 0.748 420 L CB -0.662 41.501 42.059 0.173 0.000 0.891 420 L HN 0.310 nan 8.230 nan 0.000 0.431 421 G N -1.869 106.866 108.800 -0.109 0.000 2.450 421 G HA2 -0.282 3.685 3.960 0.012 0.000 0.220 421 G HA3 -0.282 3.685 3.960 0.012 0.000 0.220 421 G C 1.347 176.122 174.900 -0.209 0.000 1.130 421 G CA 0.579 45.518 45.100 -0.268 0.000 0.760 421 G HN 0.462 nan 8.290 nan 0.000 0.557 422 H N -0.771 118.272 119.070 -0.045 0.000 2.518 422 H HA -0.021 4.543 4.556 0.012 0.000 0.289 422 H C 1.892 177.022 175.328 -0.331 0.000 1.051 422 H CA 1.200 57.189 56.048 -0.099 0.000 1.280 422 H CB 0.072 29.677 29.762 -0.262 0.000 1.380 422 H HN 0.503 nan 8.280 nan 0.000 0.566 423 F N -0.159 119.704 119.950 -0.145 0.000 2.390 423 F HA -0.057 4.477 4.527 0.012 0.000 0.281 423 F C 2.835 178.235 175.800 -0.667 0.000 1.016 423 F CA 0.627 58.369 58.000 -0.430 0.000 1.286 423 F CB -0.690 37.836 39.000 -0.791 0.000 1.134 423 F HN -0.006 nan 8.300 nan 0.000 0.597 424 S N 0.651 115.980 115.700 -0.618 0.000 2.383 424 S HA -0.292 4.186 4.470 0.012 0.000 0.229 424 S C 1.944 176.355 174.600 -0.315 0.000 1.030 424 S CA 1.745 59.674 58.200 -0.452 0.000 1.002 424 S CB -0.578 62.552 63.200 -0.118 0.000 0.829 424 S HN 0.306 nan 8.310 nan 0.000 0.467 425 K N 0.745 120.815 120.400 -0.550 0.000 2.217 425 K HA 0.158 4.486 4.320 0.012 0.000 0.202 425 K C 0.996 177.092 176.600 -0.840 0.000 1.051 425 K CA 1.142 56.902 56.287 -0.878 0.000 0.952 425 K CB -0.319 31.259 32.500 -1.536 0.000 0.736 425 K HN 0.551 nan 8.250 nan 0.000 0.453 426 F N -0.506 119.319 119.950 -0.208 0.000 2.682 426 F HA 0.375 4.910 4.527 0.013 0.000 0.308 426 F C 0.041 175.842 175.800 0.002 0.000 1.093 426 F CA -0.496 57.443 58.000 -0.102 0.000 1.244 426 F CB 0.801 39.704 39.000 -0.162 0.000 1.052 426 F HN -0.195 nan 8.300 nan 0.000 0.573 427 I N 2.903 123.519 120.570 0.077 0.000 2.782 427 I HA 0.224 4.401 4.170 0.012 0.000 0.279 427 I C -2.462 173.709 176.117 0.089 0.000 1.247 427 I CA -1.917 59.442 61.300 0.098 0.000 1.062 427 I CB 0.677 38.825 38.000 0.246 0.000 1.421 427 I HN -0.237 nan 8.210 nan 0.000 0.558 428 P HA 0.008 nan 4.420 nan 0.000 0.272 428 P C -0.066 177.202 177.300 -0.053 0.000 1.240 428 P CA -0.139 62.924 63.100 -0.063 0.000 0.791 428 P CB 0.772 32.386 31.700 -0.143 0.000 0.978 429 E N 0.137 120.311 120.200 -0.043 0.000 2.529 429 E HA 0.128 4.485 4.350 0.012 0.000 0.259 429 E C 1.068 177.627 176.600 -0.068 0.000 0.966 429 E CA 1.035 57.394 56.400 -0.069 0.000 0.937 429 E CB -0.709 28.933 29.700 -0.097 0.000 0.923 429 E HN 0.781 nan 8.360 nan 0.000 0.468 430 G N 3.004 111.772 108.800 -0.053 0.000 2.213 430 G HA2 -0.269 3.699 3.960 0.012 0.000 0.236 430 G HA3 -0.269 3.699 3.960 0.012 0.000 0.236 430 G C 0.264 175.144 174.900 -0.033 0.000 0.991 430 G CA 0.135 45.213 45.100 -0.035 0.000 0.629 430 G HN 0.611 nan 8.290 nan 0.000 0.517 431 S N 0.033 115.700 115.700 -0.054 0.000 2.576 431 S HA 0.497 4.974 4.470 0.012 0.000 0.272 431 S C 0.145 174.754 174.600 0.014 0.000 1.352 431 S CA 0.668 58.843 58.200 -0.042 0.000 1.021 431 S CB 1.570 64.740 63.200 -0.050 0.000 0.887 431 S HN 0.748 nan 8.310 nan 0.000 0.542 432 Q N 0.726 120.547 119.800 0.035 0.000 2.331 432 Q HA 0.389 4.736 4.340 0.012 0.000 0.272 432 Q C -0.835 175.216 176.000 0.085 0.000 1.062 432 Q CA -0.782 55.058 55.803 0.061 0.000 0.806 432 Q CB 1.416 30.186 28.738 0.053 0.000 1.312 432 Q HN 0.653 nan 8.270 nan 0.000 0.431 433 R N 2.270 122.842 120.500 0.119 0.000 2.490 433 R HA 0.463 4.810 4.340 0.012 0.000 0.280 433 R C -0.556 175.890 176.300 0.243 0.000 1.077 433 R CA -0.040 56.145 56.100 0.141 0.000 1.065 433 R CB 0.708 31.064 30.300 0.094 0.000 1.003 433 R HN 0.510 nan 8.270 nan 0.000 0.470 434 V N 0.531 120.573 119.914 0.213 0.000 3.155 434 V HA 0.769 4.896 4.120 0.012 0.000 0.313 434 V C 0.212 176.479 176.094 0.288 0.000 1.162 434 V CA -0.739 61.716 62.300 0.258 0.000 1.048 434 V CB 1.419 33.314 31.823 0.120 0.000 1.092 434 V HN 0.853 nan 8.190 nan 0.000 0.447 435 G N 0.120 109.108 108.800 0.314 0.000 2.569 435 G HA2 0.571 4.538 3.960 0.012 0.000 0.249 435 G HA3 0.571 4.538 3.960 0.012 0.000 0.249 435 G C -1.138 173.831 174.900 0.115 0.000 1.216 435 G CA -0.209 45.055 45.100 0.273 0.000 0.845 435 G HN 1.341 nan 8.290 nan 0.000 0.568 436 L N 1.228 122.487 121.223 0.059 0.000 2.614 436 L HA 0.563 4.910 4.340 0.012 0.000 0.264 436 L C -0.454 176.427 176.870 0.019 0.000 0.940 436 L CA -0.723 54.139 54.840 0.037 0.000 0.903 436 L CB 2.030 44.104 42.059 0.026 0.000 1.306 436 L HN 0.760 nan 8.230 nan 0.000 0.410 437 V N 1.900 121.828 119.914 0.024 0.000 2.914 437 V HA 1.059 5.186 4.120 0.012 0.000 0.314 437 V C -0.131 175.973 176.094 0.016 0.000 1.084 437 V CA -0.208 62.104 62.300 0.020 0.000 0.963 437 V CB 1.535 33.376 31.823 0.030 0.000 1.025 437 V HN 1.090 nan 8.190 nan 0.000 0.432 438 A N 2.232 125.062 122.820 0.016 0.000 2.324 438 A HA 0.702 5.030 4.320 0.012 0.000 0.330 438 A C 1.084 178.681 177.584 0.021 0.000 1.165 438 A CA 0.007 52.053 52.037 0.014 0.000 0.813 438 A CB 1.531 20.540 19.000 0.015 0.000 1.197 438 A HN 1.844 nan 8.150 nan 0.000 0.484 439 S N 0.946 116.659 115.700 0.021 0.000 2.453 439 S HA 0.034 4.511 4.470 0.012 0.000 0.231 439 S C 0.577 175.193 174.600 0.027 0.000 1.005 439 S CA 1.014 59.231 58.200 0.029 0.000 0.949 439 S CB -0.436 62.786 63.200 0.036 0.000 0.774 439 S HN 0.954 nan 8.310 nan 0.000 0.510 440 Q N -0.732 119.082 119.800 0.023 0.000 2.630 440 Q HA 0.470 4.818 4.340 0.012 0.000 0.295 440 Q C -1.738 174.275 176.000 0.022 0.000 0.944 440 Q CA -1.314 54.502 55.803 0.023 0.000 0.766 440 Q CB 0.810 29.561 28.738 0.021 0.000 1.471 440 Q HN -0.068 nan 8.270 nan 0.000 0.416 441 K N 1.317 121.731 120.400 0.024 0.000 2.436 441 K HA 0.182 4.510 4.320 0.012 0.000 0.275 441 K C -0.536 176.079 176.600 0.023 0.000 0.999 441 K CA 0.603 56.906 56.287 0.026 0.000 0.980 441 K CB 0.077 32.593 32.500 0.027 0.000 0.919 441 K HN 0.776 nan 8.250 nan 0.000 0.484 442 N N -0.425 118.292 118.700 0.027 0.000 3.020 442 N HA 0.163 4.910 4.740 0.012 0.000 0.248 442 N C -1.206 174.324 175.510 0.033 0.000 1.480 442 N CA -0.821 52.243 53.050 0.024 0.000 0.874 442 N CB 1.008 39.506 38.487 0.019 0.000 1.433 442 N HN 0.224 nan 8.380 nan 0.000 0.530 443 D N -0.103 120.314 120.400 0.029 0.000 2.388 443 D HA 0.230 4.878 4.640 0.012 0.000 0.221 443 D C -0.239 176.094 176.300 0.055 0.000 1.133 443 D CA 0.115 54.139 54.000 0.040 0.000 0.831 443 D CB 0.241 41.057 40.800 0.027 0.000 0.962 443 D HN 0.353 nan 8.370 nan 0.000 0.502 444 L N 0.761 122.016 121.223 0.053 0.000 2.343 444 L HA 0.303 4.650 4.340 0.012 0.000 0.275 444 L C 0.283 177.210 176.870 0.094 0.000 1.056 444 L CA -0.674 54.205 54.840 0.064 0.000 0.804 444 L CB 1.222 43.305 42.059 0.040 0.000 1.203 444 L HN -0.288 nan 8.230 nan 0.000 0.440 445 D N 1.664 122.140 120.400 0.127 0.000 2.168 445 D HA 0.691 5.339 4.640 0.012 0.000 0.246 445 D C -0.582 175.785 176.300 0.113 0.000 1.050 445 D CA -0.055 54.029 54.000 0.140 0.000 0.857 445 D CB 2.196 43.120 40.800 0.207 0.000 1.169 445 D HN 0.607 nan 8.370 nan 0.000 0.453 446 A N 1.098 123.970 122.820 0.087 0.000 2.574 446 A HA 0.663 4.991 4.320 0.012 0.000 0.297 446 A C -1.535 176.086 177.584 0.062 0.000 1.062 446 A CA -0.727 51.358 52.037 0.080 0.000 0.686 446 A CB 1.960 20.995 19.000 0.058 0.000 1.285 446 A HN 0.355 nan 8.150 nan 0.000 0.403 447 V N 0.564 120.525 119.914 0.079 0.000 2.932 447 V HA 0.855 4.983 4.120 0.012 0.000 0.307 447 V C -0.585 175.550 176.094 0.068 0.000 1.147 447 V CA 0.200 62.535 62.300 0.057 0.000 0.951 447 V CB 1.832 33.704 31.823 0.081 0.000 1.031 447 V HN 2.170 nan 8.190 nan 0.000 0.426 448 A N 6.358 129.207 122.820 0.048 0.000 2.342 448 A HA 0.989 5.316 4.320 0.012 0.000 0.323 448 A C -1.482 176.131 177.584 0.048 0.000 1.125 448 A CA -0.552 51.516 52.037 0.052 0.000 0.785 448 A CB 1.408 20.444 19.000 0.060 0.000 1.221 448 A HN 0.941 nan 8.150 nan 0.000 0.463 449 L N 1.235 122.476 121.223 0.029 0.000 2.376 449 L HA 0.612 4.959 4.340 0.012 0.000 0.258 449 L C -0.195 176.675 176.870 -0.000 0.000 1.013 449 L CA -0.191 54.674 54.840 0.041 0.000 0.822 449 L CB 2.013 44.117 42.059 0.074 0.000 1.388 449 L HN 0.710 nan 8.230 nan 0.000 0.413 450 M N 1.165 120.777 119.600 0.020 0.000 2.238 450 M HA 0.356 4.843 4.480 0.012 0.000 0.350 450 M C -0.381 175.958 176.300 0.065 0.000 1.138 450 M CA -0.567 54.744 55.300 0.018 0.000 1.040 450 M CB 1.232 33.842 32.600 0.016 0.000 1.639 450 M HN 0.522 nan 8.290 nan 0.000 0.451 451 H N 3.720 122.768 119.070 -0.037 0.000 2.771 451 H HA 0.071 4.634 4.556 0.012 0.000 0.364 451 H C -1.679 173.655 175.328 0.009 0.000 1.133 451 H CA -0.546 55.500 56.048 -0.004 0.000 1.423 451 H CB 1.205 30.960 29.762 -0.013 0.000 1.425 451 H HN 0.411 nan 8.280 nan 0.000 0.606 452 P HA -0.180 nan 4.420 nan 0.000 0.216 452 P C 0.804 178.164 177.300 0.100 0.000 1.150 452 P CA 1.653 64.784 63.100 0.051 0.000 0.843 452 P CB 0.032 31.741 31.700 0.016 0.000 0.787 453 D N -1.525 118.979 120.400 0.173 0.000 2.378 453 D HA 0.025 4.673 4.640 0.012 0.000 0.227 453 D C 1.379 177.742 176.300 0.105 0.000 1.012 453 D CA 0.818 54.897 54.000 0.132 0.000 0.905 453 D CB -1.169 39.719 40.800 0.147 0.000 0.895 453 D HN 0.268 nan 8.370 nan 0.000 0.532 454 G N -0.230 108.632 108.800 0.104 0.000 2.179 454 G HA2 -0.299 3.668 3.960 0.012 0.000 0.260 454 G HA3 -0.299 3.668 3.960 0.012 0.000 0.260 454 G C 0.436 175.355 174.900 0.031 0.000 0.977 454 G CA 0.530 45.668 45.100 0.062 0.000 0.641 454 G HN 0.860 nan 8.290 nan 0.000 0.533 455 S N -0.220 115.497 115.700 0.029 0.000 2.624 455 S HA 0.803 5.281 4.470 0.012 0.000 0.263 455 S C 0.442 174.881 174.600 -0.268 0.000 1.287 455 S CA 0.404 58.527 58.200 -0.127 0.000 0.990 455 S CB 2.070 65.147 63.200 -0.205 0.000 0.950 455 S HN 1.884 nan 8.310 nan 0.000 0.561 456 A N 0.716 123.164 122.820 -0.621 0.000 2.312 456 A HA 0.729 5.056 4.320 0.012 0.000 0.328 456 A C -0.729 176.447 177.584 -0.679 0.000 1.158 456 A CA -0.818 50.739 52.037 -0.801 0.000 0.821 456 A CB 0.841 18.923 19.000 -1.531 0.000 1.170 456 A HN 0.940 nan 8.150 nan 0.000 0.490 457 V N 2.086 121.781 119.914 -0.366 0.000 2.577 457 V HA 0.517 4.644 4.120 0.012 0.000 0.303 457 V C -0.767 175.293 176.094 -0.057 0.000 1.042 457 V CA -0.481 61.730 62.300 -0.149 0.000 0.872 457 V CB 1.638 33.477 31.823 0.028 0.000 0.998 457 V HN 0.676 nan 8.190 nan 0.000 0.423 458 V N 5.112 125.075 119.914 0.080 0.000 2.531 458 V HA 0.516 4.643 4.120 0.012 0.000 0.301 458 V C -0.408 175.792 176.094 0.177 0.000 1.034 458 V CA -0.643 61.756 62.300 0.164 0.000 0.865 458 V CB 2.184 34.166 31.823 0.264 0.000 0.995 458 V HN 0.613 nan 8.190 nan 0.000 0.424 459 V N 5.562 125.529 119.914 0.088 0.000 2.398 459 V HA 0.532 4.659 4.120 0.012 0.000 0.286 459 V C -0.252 175.887 176.094 0.075 0.000 1.026 459 V CA -0.535 61.765 62.300 -0.000 0.000 0.868 459 V CB 1.779 33.454 31.823 -0.247 0.000 0.982 459 V HN 0.611 nan 8.190 nan 0.000 0.443 460 V N 6.301 126.276 119.914 0.101 0.000 2.444 460 V HA 0.486 4.613 4.120 0.012 0.000 0.294 460 V C -0.529 175.589 176.094 0.041 0.000 1.022 460 V CA -0.570 61.789 62.300 0.098 0.000 0.850 460 V CB 1.662 33.574 31.823 0.149 0.000 0.992 460 V HN 0.681 nan 8.190 nan 0.000 0.426 461 L N 4.667 125.938 121.223 0.079 0.000 2.313 461 L HA 0.637 4.984 4.340 0.012 0.000 0.283 461 L C -0.238 176.699 176.870 0.111 0.000 1.013 461 L CA -0.000 54.907 54.840 0.112 0.000 0.816 461 L CB 1.559 43.735 42.059 0.195 0.000 1.236 461 L HN 0.615 nan 8.230 nan 0.000 0.419 462 N N 4.092 122.855 118.700 0.106 0.000 2.462 462 N HA 0.263 5.010 4.740 0.012 0.000 0.242 462 N C 0.492 176.104 175.510 0.171 0.000 1.010 462 N CA -0.117 52.986 53.050 0.089 0.000 0.939 462 N CB 0.910 39.407 38.487 0.017 0.000 1.127 462 N HN 0.676 nan 8.380 nan 0.000 0.509 463 R N 0.732 121.322 120.500 0.149 0.000 2.276 463 R HA 0.021 4.368 4.340 0.012 0.000 0.203 463 R C 0.609 177.031 176.300 0.205 0.000 1.017 463 R CA 0.282 56.498 56.100 0.194 0.000 1.010 463 R CB 0.047 30.413 30.300 0.111 0.000 0.900 463 R HN 0.572 nan 8.270 nan 0.000 0.469 464 S N -0.622 115.099 115.700 0.036 0.000 2.718 464 S HA 0.174 4.651 4.470 0.012 0.000 0.300 464 S C 0.976 175.260 174.600 -0.526 0.000 1.117 464 S CA -0.576 57.568 58.200 -0.094 0.000 1.002 464 S CB 1.887 65.051 63.200 -0.061 0.000 1.092 464 S HN 0.099 nan 8.310 nan 0.000 0.542 465 S N -1.057 114.293 115.700 -0.583 0.000 2.562 465 S HA 0.242 4.719 4.470 0.012 0.000 0.221 465 S C 0.711 175.088 174.600 -0.372 0.000 0.975 465 S CA 0.197 57.922 58.200 -0.791 0.000 0.918 465 S CB -0.984 62.009 63.200 -0.345 0.000 0.772 465 S HN 1.159 nan 8.310 nan 0.000 0.531 466 K N 1.594 121.853 120.400 -0.234 0.000 2.156 466 K HA 0.490 4.817 4.320 0.012 0.000 0.271 466 K C -0.826 175.708 176.600 -0.110 0.000 0.995 466 K CA -0.740 55.470 56.287 -0.129 0.000 0.890 466 K CB -0.019 32.434 32.500 -0.078 0.000 1.073 466 K HN 0.275 nan 8.250 nan 0.000 0.454 467 D N 1.198 121.553 120.400 -0.075 0.000 2.390 467 D HA 0.282 4.929 4.640 0.012 0.000 0.249 467 D C -0.545 175.734 176.300 -0.034 0.000 1.144 467 D CA -0.070 53.900 54.000 -0.049 0.000 0.880 467 D CB 1.382 42.166 40.800 -0.026 0.000 1.182 467 D HN 0.189 nan 8.370 nan 0.000 0.451 468 V N 5.338 125.235 119.914 -0.029 0.000 2.349 468 V HA 0.267 4.394 4.120 0.012 0.000 0.284 468 V C -2.140 173.949 176.094 -0.009 0.000 1.014 468 V CA -1.613 60.676 62.300 -0.020 0.000 0.826 468 V CB 1.661 33.470 31.823 -0.023 0.000 1.009 468 V HN 0.422 nan 8.190 nan 0.000 0.431 469 P HA 0.387 nan 4.420 nan 0.000 0.271 469 P C -0.851 176.441 177.300 -0.013 0.000 1.216 469 P CA -0.010 63.092 63.100 0.003 0.000 0.776 469 P CB 1.304 33.010 31.700 0.010 0.000 0.881 470 L N -0.502 120.701 121.223 -0.033 0.000 2.600 470 L HA 0.799 5.146 4.340 0.012 0.000 0.257 470 L C -1.113 175.677 176.870 -0.133 0.000 1.048 470 L CA -0.729 54.068 54.840 -0.072 0.000 0.869 470 L CB 1.931 43.943 42.059 -0.077 0.000 1.482 470 L HN 0.107 nan 8.230 nan 0.000 0.408 471 T N 1.383 115.825 114.554 -0.187 0.000 2.876 471 T HA 0.702 5.059 4.350 0.012 0.000 0.289 471 T C -0.482 174.065 174.700 -0.255 0.000 1.014 471 T CA -0.276 61.664 62.100 -0.266 0.000 0.986 471 T CB 1.706 70.296 68.868 -0.465 0.000 1.021 471 T HN 0.499 nan 8.240 nan 0.000 0.458 472 I N 2.334 122.712 120.570 -0.320 0.000 2.378 472 I HA 0.451 4.628 4.170 0.012 0.000 0.291 472 I C 0.077 176.004 176.117 -0.317 0.000 0.992 472 I CA -0.819 60.293 61.300 -0.314 0.000 1.154 472 I CB 1.679 39.409 38.000 -0.450 0.000 1.315 472 I HN 0.338 nan 8.210 nan 0.000 0.448 473 K N 4.935 125.185 120.400 -0.250 0.000 2.265 473 K HA 0.262 4.589 4.320 0.012 0.000 0.267 473 K C -1.169 175.255 176.600 -0.294 0.000 0.994 473 K CA -0.533 55.503 56.287 -0.418 0.000 0.860 473 K CB 1.118 33.434 32.500 -0.306 0.000 1.099 473 K HN 0.462 nan 8.250 nan 0.000 0.448 474 D N 6.170 126.368 120.400 -0.337 0.000 2.392 474 D HA 0.304 4.951 4.640 0.012 0.000 0.228 474 D C -2.502 173.704 176.300 -0.157 0.000 1.074 474 D CA -2.260 51.693 54.000 -0.079 0.000 0.838 474 D CB 1.478 42.372 40.800 0.157 0.000 1.067 474 D HN 0.254 nan 8.370 nan 0.000 0.511 475 P HA 0.129 nan 4.420 nan 0.000 0.264 475 P C 0.135 177.410 177.300 -0.043 0.000 1.193 475 P CA 0.304 63.353 63.100 -0.085 0.000 0.763 475 P CB 0.789 32.471 31.700 -0.029 0.000 0.810 476 A N 1.928 124.721 122.820 -0.044 0.000 2.910 476 A HA -0.237 4.090 4.320 0.012 0.000 0.267 476 A C 1.197 178.786 177.584 0.008 0.000 1.310 476 A CA 1.609 53.642 52.037 -0.007 0.000 0.934 476 A CB -2.286 16.722 19.000 0.015 0.000 1.057 476 A HN 0.476 nan 8.150 nan 0.000 0.742 477 V N -2.813 117.093 119.914 -0.013 0.000 2.996 477 V HA 0.612 4.739 4.120 0.012 0.000 0.235 477 V C 1.197 177.253 176.094 -0.064 0.000 1.205 477 V CA 2.173 64.481 62.300 0.013 0.000 1.225 477 V CB 0.983 32.877 31.823 0.120 0.000 0.995 477 V HN 2.432 nan 8.190 nan 0.000 0.484 478 G N -0.536 108.138 108.800 -0.211 0.000 2.352 478 G HA2 0.216 4.183 3.960 0.012 0.000 0.283 478 G HA3 0.216 4.183 3.960 0.012 0.000 0.283 478 G C -1.741 172.821 174.900 -0.563 0.000 1.308 478 G CA -0.459 44.486 45.100 -0.259 0.000 0.892 478 G HN 0.144 nan 8.290 nan 0.000 0.504 479 F N -0.342 119.511 119.950 -0.161 0.000 2.495 479 F HA 0.748 5.283 4.527 0.012 0.000 0.327 479 F C -0.151 175.480 175.800 -0.282 0.000 1.103 479 F CA -0.846 57.017 58.000 -0.230 0.000 0.949 479 F CB 2.127 41.041 39.000 -0.143 0.000 1.142 479 F HN 0.249 nan 8.300 nan 0.000 0.457 480 L N 3.527 124.576 121.223 -0.291 0.000 2.287 480 L HA 0.416 4.763 4.340 0.012 0.000 0.287 480 L C -0.211 176.483 176.870 -0.294 0.000 1.022 480 L CA -0.676 53.904 54.840 -0.433 0.000 0.814 480 L CB 0.892 42.316 42.059 -1.059 0.000 1.217 480 L HN 0.425 nan 8.230 nan 0.000 0.420 481 E N 1.896 122.040 120.200 -0.094 0.000 2.200 481 E HA 0.576 4.933 4.350 0.012 0.000 0.283 481 E C -0.192 176.396 176.600 -0.020 0.000 1.015 481 E CA -0.097 56.271 56.400 -0.054 0.000 0.819 481 E CB 2.120 31.837 29.700 0.027 0.000 1.081 481 E HN 0.557 nan 8.360 nan 0.000 0.397 482 T N 1.943 116.466 114.554 -0.051 0.000 2.754 482 T HA 0.550 4.908 4.350 0.012 0.000 0.296 482 T C -1.508 173.232 174.700 0.068 0.000 1.205 482 T CA -0.642 61.484 62.100 0.044 0.000 1.009 482 T CB 1.310 70.189 68.868 0.018 0.000 1.368 482 T HN 0.330 nan 8.240 nan 0.000 0.509 483 I N 2.095 122.755 120.570 0.150 0.000 2.647 483 I HA 0.613 4.791 4.170 0.012 0.000 0.295 483 I C -0.894 175.313 176.117 0.149 0.000 1.078 483 I CA -0.501 60.865 61.300 0.111 0.000 1.048 483 I CB 2.159 40.213 38.000 0.089 0.000 1.239 483 I HN 0.661 nan 8.210 nan 0.000 0.421 484 S N 8.893 124.611 115.700 0.029 0.000 2.488 484 S HA 0.572 5.050 4.470 0.012 0.000 0.310 484 S C -2.557 171.993 174.600 -0.082 0.000 1.093 484 S CA -1.457 56.680 58.200 -0.104 0.000 1.129 484 S CB 0.590 63.722 63.200 -0.113 0.000 0.989 484 S HN 0.380 nan 8.310 nan 0.000 0.479 485 P HA 0.169 nan 4.420 nan 0.000 0.269 485 P C 0.350 177.618 177.300 -0.054 0.000 1.215 485 P CA -0.034 63.051 63.100 -0.025 0.000 0.780 485 P CB 0.298 32.016 31.700 0.030 0.000 0.898 486 G N 1.627 110.365 108.800 -0.103 0.000 2.265 486 G HA2 -0.036 3.932 3.960 0.012 0.000 0.240 486 G HA3 -0.036 3.932 3.960 0.012 0.000 0.240 486 G C -0.213 174.615 174.900 -0.120 0.000 1.270 486 G CA 0.134 45.086 45.100 -0.245 0.000 0.901 486 G HN 0.716 nan 8.290 nan 0.000 0.507 487 Y N -0.245 120.138 120.300 0.138 0.000 4.779 487 Y HA -0.351 4.207 4.550 0.012 0.000 0.284 487 Y C 2.077 178.261 175.900 0.474 0.000 0.973 487 Y CA 0.781 59.068 58.100 0.312 0.000 1.792 487 Y CB -1.769 36.867 38.460 0.293 0.000 1.120 487 Y HN 0.944 nan 8.280 nan 0.000 0.450 488 S N 0.999 116.918 115.700 0.365 0.000 2.608 488 S HA 0.538 5.015 4.470 0.012 0.000 0.261 488 S C -0.250 174.486 174.600 0.226 0.000 1.314 488 S CA -0.205 58.187 58.200 0.321 0.000 0.992 488 S CB 2.148 65.407 63.200 0.098 0.000 0.935 488 S HN 0.368 nan 8.310 nan 0.000 0.564 489 I N 0.686 121.328 120.570 0.121 0.000 2.533 489 I HA 0.485 4.662 4.170 0.012 0.000 0.290 489 I C -1.136 174.917 176.117 -0.108 0.000 1.056 489 I CA -0.658 60.557 61.300 -0.142 0.000 1.057 489 I CB 1.568 39.310 38.000 -0.431 0.000 1.240 489 I HN 0.850 nan 8.210 nan 0.000 0.423 490 H N 4.260 123.215 119.070 -0.192 0.000 2.622 490 H HA 0.499 5.062 4.556 0.012 0.000 0.363 490 H C -1.017 174.228 175.328 -0.139 0.000 1.151 490 H CA -1.005 54.953 56.048 -0.149 0.000 1.184 490 H CB 2.292 31.973 29.762 -0.135 0.000 1.643 490 H HN 0.410 nan 8.280 nan 0.000 0.531 491 T N 2.640 117.178 114.554 -0.026 0.000 2.812 491 T HA 0.253 4.610 4.350 0.012 0.000 0.282 491 T C -1.015 173.480 174.700 -0.341 0.000 0.990 491 T CA -0.681 61.326 62.100 -0.155 0.000 0.960 491 T CB 0.528 69.200 68.868 -0.327 0.000 0.948 491 T HN 0.309 nan 8.240 nan 0.000 0.438 492 Y N 2.511 122.835 120.300 0.041 0.000 2.341 492 Y HA 0.654 5.212 4.550 0.012 0.000 0.337 492 Y C 0.003 175.996 175.900 0.155 0.000 1.014 492 Y CA -1.097 57.099 58.100 0.160 0.000 1.111 492 Y CB 1.071 39.668 38.460 0.228 0.000 1.194 492 Y HN 0.386 nan 8.280 nan 0.000 0.462 493 L N 3.734 125.156 121.223 0.333 0.000 2.386 493 L HA 0.630 4.978 4.340 0.012 0.000 0.271 493 L C -1.268 175.802 176.870 0.334 0.000 0.993 493 L CA -0.795 54.113 54.840 0.114 0.000 0.819 493 L CB 1.692 43.728 42.059 -0.038 0.000 1.294 493 L HN 0.796 nan 8.230 nan 0.000 0.414 494 W N 0.596 121.864 121.300 -0.053 0.000 3.213 494 W HA 0.527 5.195 4.660 0.013 0.000 0.318 494 W C -1.264 175.169 176.519 -0.144 0.000 1.248 494 W CA -0.791 56.513 57.345 -0.068 0.000 1.187 494 W CB 0.539 30.044 29.460 0.076 0.000 1.403 494 W HN 0.266 nan 8.180 nan 0.000 0.556 495 H N 2.536 121.715 119.070 0.181 0.000 2.610 495 H HA 0.395 4.959 4.556 0.012 0.000 0.336 495 H C 0.565 175.998 175.328 0.175 0.000 1.087 495 H CA 0.114 56.207 56.048 0.075 0.000 1.405 495 H CB 1.848 31.656 29.762 0.076 0.000 1.460 495 H HN 0.577 nan 8.280 nan 0.000 0.538 496 R N 1.028 121.655 120.500 0.213 0.000 2.191 496 R HA 0.017 4.365 4.340 0.012 0.000 0.187 496 R C 0.816 177.205 176.300 0.148 0.000 1.078 496 R CA -0.061 56.168 56.100 0.214 0.000 1.139 496 R CB -0.101 30.278 30.300 0.131 0.000 1.120 496 R HN 0.496 nan 8.270 nan 0.000 0.536 497 Q N 0.000 119.862 119.800 0.104 0.000 2.315 497 Q HA 0.000 4.347 4.340 0.012 0.000 0.214 497 Q CA 0.000 55.844 55.803 0.068 0.000 1.022 497 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481