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 3ije_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RcGPGWLGSQ cECSEEDYRP SQQDEcSPRE GQPVcSQRGE DATA SEQUENCE cLCGQcVcHS SDFGKITGKY cEcDDFScVR YKGEMcSGHG QcScGDcLcD DATA SEQUENCE SDWTGYYcNc TTRTDTcMSS NGLLcSGRGK cEcGScVCIQ PGSYGDTCEK DATA SEQUENCE CPTCPDAcTF KKEcVEcKKF DRGALHDENT cNRYcRDEIE SVKELKDTGK DATA SEQUENCE DAVNcTYKNE DDcVVRFQYY EDSSGKSILY VVEEPEcPKG PDILV 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.913 174.900 0.022 0.000 0.946 1 G CA 0.000 45.108 45.100 0.014 0.000 0.502 2 P HA 0.250 nan 4.420 nan 0.000 0.270 2 P C -1.084 176.242 177.300 0.043 0.000 1.242 2 P CA -0.041 63.089 63.100 0.049 0.000 0.768 2 P CB 0.423 32.178 31.700 0.092 0.000 0.820 3 N N 3.955 122.673 118.700 0.030 0.000 2.533 3 N HA 0.178 4.918 4.740 -0.000 0.000 0.289 3 N C 1.008 176.531 175.510 0.022 0.000 1.103 3 N CA -0.478 52.587 53.050 0.026 0.000 0.877 3 N CB 1.386 39.886 38.487 0.022 0.000 1.419 3 N HN 0.171 nan 8.380 nan 0.000 0.517 4 I N 0.026 120.606 120.570 0.016 0.000 4.653 4 I HA -0.585 3.585 4.170 -0.000 0.000 0.052 4 I C 2.018 178.139 176.117 0.006 0.000 0.622 4 I CA 1.944 63.249 61.300 0.009 0.000 0.752 4 I CB -1.389 36.622 38.000 0.017 0.000 0.697 4 I HN 0.533 nan 8.210 nan 0.000 0.161 5 c N -0.093 118.523 118.600 0.026 0.000 2.429 5 c HA -0.149 4.421 4.570 -0.000 0.000 0.277 5 c C 2.798 176.911 174.090 0.039 0.000 1.262 5 c CA 1.688 58.043 56.329 0.044 0.000 1.733 5 c CB -1.524 41.033 42.510 0.077 0.000 2.010 5 c HN 0.749 nan 8.230 nan 0.000 0.483 6 T N 1.334 115.904 114.554 0.025 0.000 2.708 6 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 6 T C 1.944 176.611 174.700 -0.055 0.000 1.037 6 T CA 2.372 64.478 62.100 0.010 0.000 1.146 6 T CB -0.694 68.183 68.868 0.016 0.000 0.865 6 T HN 0.822 nan 8.240 nan 0.000 0.435 7 T N 0.317 114.819 114.554 -0.087 0.000 2.904 7 T HA 0.063 4.413 4.350 -0.000 0.000 0.267 7 T C 1.984 176.556 174.700 -0.214 0.000 1.059 7 T CA 0.587 62.554 62.100 -0.222 0.000 1.137 7 T CB -0.024 68.760 68.868 -0.141 0.000 0.879 7 T HN 0.339 nan 8.240 nan 0.000 0.467 8 R N 0.490 120.925 120.500 -0.109 0.000 2.098 8 R HA 0.316 4.656 4.340 -0.000 0.000 0.203 8 R C 2.210 178.473 176.300 -0.062 0.000 1.166 8 R CA 0.516 56.562 56.100 -0.090 0.000 1.090 8 R CB -0.121 30.140 30.300 -0.065 0.000 0.992 8 R HN 0.374 nan 8.270 nan 0.000 0.477 9 G N 1.485 110.271 108.800 -0.024 0.000 3.639 9 G HA2 0.207 4.167 3.960 -0.000 0.000 0.279 9 G HA3 0.207 4.167 3.960 -0.000 0.000 0.279 9 G C 0.663 175.610 174.900 0.079 0.000 1.312 9 G CA -0.157 44.936 45.100 -0.010 0.000 1.355 9 G HN 0.192 nan 8.290 nan 0.000 0.595 10 V N -3.271 116.696 119.914 0.088 0.000 3.319 10 V HA 0.200 4.320 4.120 -0.000 0.000 0.317 10 V C 1.713 177.916 176.094 0.181 0.000 1.411 10 V CA 0.620 63.062 62.300 0.236 0.000 1.112 10 V CB 0.261 32.165 31.823 0.134 0.000 1.031 10 V HN 0.143 nan 8.190 nan 0.000 0.448 11 S N 1.565 117.282 115.700 0.028 0.000 2.395 11 S HA 0.160 4.630 4.470 -0.000 0.000 0.225 11 S C 1.062 175.624 174.600 -0.062 0.000 1.027 11 S CA 1.030 59.224 58.200 -0.010 0.000 0.965 11 S CB -0.046 63.122 63.200 -0.053 0.000 0.812 11 S HN 1.030 nan 8.310 nan 0.000 0.482 12 S N -1.597 113.945 115.700 -0.265 0.000 2.694 12 S HA 0.258 4.728 4.470 -0.000 0.000 0.273 12 S C 0.500 174.414 174.600 -1.143 0.000 1.180 12 S CA -0.163 57.733 58.200 -0.507 0.000 0.864 12 S CB 0.594 63.613 63.200 -0.302 0.000 1.198 12 S HN 0.113 nan 8.310 nan 0.000 0.499 13 c N 0.607 118.537 118.600 -1.117 0.000 2.476 13 c HA 0.087 4.657 4.570 -0.000 0.000 0.278 13 c C 2.738 176.486 174.090 -0.570 0.000 1.274 13 c CA 1.599 57.235 56.329 -1.156 0.000 1.713 13 c CB -1.671 40.385 42.510 -0.757 0.000 2.039 13 c HN 0.842 nan 8.230 nan 0.000 0.484 14 Q N -0.282 119.292 119.800 -0.376 0.000 2.084 14 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 14 Q C 2.207 178.080 176.000 -0.211 0.000 0.978 14 Q CA 1.761 57.426 55.803 -0.230 0.000 0.844 14 Q CB -0.254 28.384 28.738 -0.166 0.000 0.898 14 Q HN 0.680 nan 8.270 nan 0.000 0.426 15 Q N 0.034 119.689 119.800 -0.241 0.000 2.061 15 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 15 Q C 2.223 178.122 176.000 -0.168 0.000 0.984 15 Q CA 1.615 57.308 55.803 -0.185 0.000 0.846 15 Q CB -0.592 28.040 28.738 -0.177 0.000 0.902 15 Q HN 0.417 nan 8.270 nan 0.000 0.421 16 c N -0.281 118.168 118.600 -0.252 0.000 2.413 16 c HA -0.126 4.444 4.570 -0.000 0.000 0.276 16 c C 2.388 176.445 174.090 -0.055 0.000 1.236 16 c CA 0.742 56.996 56.329 -0.124 0.000 1.735 16 c CB -1.046 41.377 42.510 -0.146 0.000 2.031 16 c HN 0.539 nan 8.230 nan 0.000 0.474 17 L N 1.051 122.216 121.223 -0.097 0.000 2.017 17 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 17 L C 2.996 179.836 176.870 -0.051 0.000 1.073 17 L CA 1.673 56.480 54.840 -0.055 0.000 0.745 17 L CB -0.784 41.229 42.059 -0.076 0.000 0.894 17 L HN 0.422 nan 8.230 nan 0.000 0.432 18 A N -0.568 122.208 122.820 -0.073 0.000 2.076 18 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 18 A C 2.295 179.851 177.584 -0.047 0.000 1.160 18 A CA 1.585 53.584 52.037 -0.063 0.000 0.653 18 A CB -0.706 18.247 19.000 -0.079 0.000 0.801 18 A HN 0.240 nan 8.150 nan 0.000 0.455 19 V N -1.012 118.879 119.914 -0.038 0.000 2.244 19 V HA -0.009 4.111 4.120 -0.000 0.000 0.244 19 V C 1.289 177.379 176.094 -0.007 0.000 1.042 19 V CA 1.879 64.165 62.300 -0.023 0.000 1.006 19 V CB -0.354 31.463 31.823 -0.010 0.000 0.641 19 V HN 0.699 nan 8.190 nan 0.000 0.446 20 S N -2.590 113.116 115.700 0.011 0.000 2.565 20 S HA 0.370 4.840 4.470 -0.000 0.000 0.274 20 S C -2.692 171.932 174.600 0.040 0.000 1.144 20 S CA -0.629 57.586 58.200 0.025 0.000 0.849 20 S CB 1.667 64.890 63.200 0.038 0.000 1.103 20 S HN 0.038 nan 8.310 nan 0.000 0.455 21 P HA 0.038 nan 4.420 nan 0.000 0.226 21 P C 1.139 178.530 177.300 0.152 0.000 1.146 21 P CA 1.067 64.182 63.100 0.025 0.000 0.773 21 P CB -0.065 31.642 31.700 0.013 0.000 0.772 22 M N -2.349 117.365 119.600 0.189 0.000 2.419 22 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 22 M C 0.668 177.179 176.300 0.352 0.000 1.082 22 M CA 0.547 56.007 55.300 0.268 0.000 1.119 22 M CB -0.553 32.127 32.600 0.132 0.000 1.398 22 M HN -0.097 nan 8.290 nan 0.000 0.453 23 c N 1.410 120.187 118.600 0.294 0.000 2.520 23 c HA 0.779 5.349 4.570 -0.000 0.000 0.376 23 c C 0.684 175.006 174.090 0.388 0.000 1.268 23 c CA -1.121 55.359 56.329 0.252 0.000 2.414 23 c CB 0.429 43.036 42.510 0.162 0.000 2.521 23 c HN 0.511 nan 8.230 nan 0.000 0.618 24 A N 1.498 124.503 122.820 0.308 0.000 2.606 24 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 24 A C -1.425 176.362 177.584 0.339 0.000 1.082 24 A CA -0.464 51.782 52.037 0.349 0.000 0.685 24 A CB 1.089 20.258 19.000 0.282 0.000 1.284 24 A HN 0.968 nan 8.150 nan 0.000 0.408 25 W N 0.498 121.836 121.300 0.065 0.000 2.850 25 W HA 0.595 5.255 4.660 0.000 0.000 0.349 25 W C -1.004 175.524 176.519 0.014 0.000 1.133 25 W CA -0.469 56.890 57.345 0.024 0.000 1.117 25 W CB 2.040 31.509 29.460 0.014 0.000 1.442 25 W HN 0.833 nan 8.180 nan 0.000 0.575 26 c N 1.031 119.307 118.600 -0.540 0.000 2.407 26 c HA 0.754 5.324 4.570 -0.000 0.000 0.366 26 c C -0.109 173.860 174.090 -0.201 0.000 1.213 26 c CA -0.101 56.023 56.329 -0.343 0.000 2.011 26 c CB 1.548 43.809 42.510 -0.414 0.000 2.306 26 c HN 0.462 nan 8.230 nan 0.000 0.527 27 S N 0.268 115.921 115.700 -0.078 0.000 2.540 27 S HA 0.483 4.952 4.470 -0.000 0.000 0.275 27 S C -0.857 173.741 174.600 -0.003 0.000 1.123 27 S CA -0.319 57.886 58.200 0.007 0.000 0.907 27 S CB 1.461 64.697 63.200 0.060 0.000 1.081 27 S HN 0.930 nan 8.310 nan 0.000 0.476 28 D N 2.797 123.216 120.400 0.031 0.000 2.705 28 D HA -0.177 4.463 4.640 -0.000 0.000 0.240 28 D C 0.194 176.507 176.300 0.022 0.000 1.137 28 D CA 1.369 55.400 54.000 0.052 0.000 0.677 28 D CB -1.457 39.374 40.800 0.051 0.000 1.049 28 D HN 0.847 nan 8.370 nan 0.000 0.427 29 E N -2.556 117.644 120.200 0.001 0.000 2.103 29 E HA -0.315 4.035 4.350 -0.000 0.000 0.186 29 E C 1.076 177.657 176.600 -0.031 0.000 1.392 29 E CA 0.854 57.242 56.400 -0.020 0.000 0.691 29 E CB -1.487 28.223 29.700 0.017 0.000 1.068 29 E HN 0.519 nan 8.360 nan 0.000 0.328 30 A N 1.380 124.168 122.820 -0.054 0.000 1.902 30 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 30 A C 1.396 178.950 177.584 -0.051 0.000 1.181 30 A CA 1.520 53.528 52.037 -0.049 0.000 0.623 30 A CB -0.190 18.772 19.000 -0.063 0.000 0.818 30 A HN 0.562 nan 8.150 nan 0.000 0.443 31 L N -2.367 118.813 121.223 -0.072 0.000 2.506 31 L HA 0.478 4.818 4.340 -0.000 0.000 0.247 31 L C -3.026 173.809 176.870 -0.058 0.000 1.141 31 L CA -2.511 52.292 54.840 -0.062 0.000 0.973 31 L CB 0.146 42.160 42.059 -0.075 0.000 1.319 31 L HN -0.207 nan 8.230 nan 0.000 0.455 32 P HA 0.056 nan 4.420 nan 0.000 0.255 32 P C 0.374 177.659 177.300 -0.025 0.000 1.173 32 P CA -0.073 63.012 63.100 -0.024 0.000 0.780 32 P CB 0.265 31.960 31.700 -0.008 0.000 0.758 33 L N 1.213 122.417 121.223 -0.032 0.000 3.936 33 L HA -0.262 4.078 4.340 -0.000 0.000 0.453 33 L C 1.184 178.038 176.870 -0.027 0.000 1.158 33 L CA 1.348 56.172 54.840 -0.027 0.000 0.831 33 L CB -2.750 39.306 42.059 -0.005 0.000 1.746 33 L HN 0.424 nan 8.230 nan 0.000 0.912 34 G N -1.448 107.326 108.800 -0.043 0.000 2.662 34 G HA2 0.232 4.192 3.960 -0.000 0.000 0.215 34 G HA3 0.232 4.192 3.960 -0.000 0.000 0.215 34 G C 1.179 176.059 174.900 -0.032 0.000 1.310 34 G CA 1.559 46.637 45.100 -0.037 0.000 0.849 34 G HN 0.830 nan 8.290 nan 0.000 0.568 35 S N -1.091 114.581 115.700 -0.047 0.000 5.323 35 S HA 0.162 4.632 4.470 -0.000 0.000 0.152 35 S C -2.344 172.226 174.600 -0.050 0.000 1.116 35 S CA 0.358 58.538 58.200 -0.033 0.000 1.363 35 S CB -0.288 62.901 63.200 -0.019 0.000 1.891 35 S HN 0.326 nan 8.310 nan 0.000 0.543 36 P HA 0.599 nan 4.420 nan 0.000 0.297 36 P C -1.431 175.785 177.300 -0.140 0.000 1.342 36 P CA -0.227 62.829 63.100 -0.073 0.000 0.801 36 P CB 0.853 32.518 31.700 -0.058 0.000 0.920 37 R N 1.931 122.348 120.500 -0.139 0.000 2.637 37 R HA 0.434 4.773 4.340 -0.000 0.000 0.291 37 R C 0.603 176.886 176.300 -0.028 0.000 0.963 37 R CA -0.667 55.275 56.100 -0.264 0.000 0.901 37 R CB 0.415 30.488 30.300 -0.379 0.000 1.160 37 R HN 0.766 nan 8.270 nan 0.000 0.457 38 c N 1.068 119.697 118.600 0.047 0.000 5.885 38 c HA -0.394 4.176 4.570 -0.000 0.000 0.328 38 c C 1.813 175.967 174.090 0.107 0.000 2.433 38 c CA 2.979 59.451 56.329 0.239 0.000 2.197 38 c CB -1.709 41.000 42.510 0.332 0.000 3.236 38 c HN 1.200 nan 8.230 nan 0.000 0.260 39 D N -0.087 120.351 120.400 0.064 0.000 3.572 39 D HA -0.288 4.352 4.640 -0.000 0.000 0.468 39 D C 0.839 177.158 176.300 0.032 0.000 0.909 39 D CA 3.266 57.286 54.000 0.032 0.000 1.493 39 D CB -0.934 39.867 40.800 0.003 0.000 0.552 39 D HN 0.684 nan 8.370 nan 0.000 0.550 40 L N -1.555 119.675 121.223 0.012 0.000 3.574 40 L HA 0.453 4.793 4.340 -0.000 0.000 0.216 40 L C 1.237 178.063 176.870 -0.073 0.000 1.375 40 L CA 0.473 55.307 54.840 -0.010 0.000 1.601 40 L CB -0.958 41.081 42.059 -0.033 0.000 1.881 40 L HN 0.446 nan 8.230 nan 0.000 0.683 41 K N -0.477 119.829 120.400 -0.156 0.000 3.179 41 K HA 0.080 4.400 4.320 -0.000 0.000 0.217 41 K C 1.356 177.834 176.600 -0.204 0.000 2.086 41 K CA 0.867 56.982 56.287 -0.287 0.000 1.488 41 K CB -0.288 31.800 32.500 -0.687 0.000 2.388 41 K HN 0.139 nan 8.250 nan 0.000 0.586 42 E N 0.711 120.806 120.200 -0.176 0.000 2.077 42 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 42 E C 0.931 177.482 176.600 -0.082 0.000 0.989 42 E CA 1.692 58.023 56.400 -0.115 0.000 0.800 42 E CB -0.058 29.587 29.700 -0.091 0.000 0.746 42 E HN 0.314 nan 8.360 nan 0.000 0.452 43 N N 0.764 119.421 118.700 -0.072 0.000 2.084 43 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 43 N C 1.853 177.329 175.510 -0.057 0.000 1.030 43 N CA 0.785 53.803 53.050 -0.053 0.000 0.849 43 N CB -0.519 37.944 38.487 -0.040 0.000 1.012 43 N HN 0.166 nan 8.380 nan 0.000 0.423 44 L N 0.601 121.785 121.223 -0.066 0.000 2.083 44 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 44 L C 1.994 178.822 176.870 -0.069 0.000 1.083 44 L CA 1.041 55.839 54.840 -0.071 0.000 0.752 44 L CB -0.654 41.363 42.059 -0.069 0.000 0.899 44 L HN 0.092 nan 8.230 nan 0.000 0.433 45 L N -0.401 120.779 121.223 -0.072 0.000 2.093 45 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 45 L C 2.462 179.302 176.870 -0.050 0.000 1.085 45 L CA 1.719 56.522 54.840 -0.062 0.000 0.755 45 L CB -0.711 41.304 42.059 -0.072 0.000 0.904 45 L HN 0.238 nan 8.230 nan 0.000 0.435 46 K N 0.053 120.423 120.400 -0.050 0.000 2.209 46 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 46 K C 0.370 176.948 176.600 -0.037 0.000 1.048 46 K CA 1.289 57.552 56.287 -0.040 0.000 0.940 46 K CB -0.447 32.031 32.500 -0.037 0.000 0.729 46 K HN 0.348 nan 8.250 nan 0.000 0.451 47 D N 0.966 121.340 120.400 -0.044 0.000 3.134 47 D HA 0.087 4.727 4.640 -0.000 0.000 0.248 47 D C -0.119 176.154 176.300 -0.046 0.000 1.273 47 D CA -0.013 53.960 54.000 -0.044 0.000 0.904 47 D CB -0.150 40.618 40.800 -0.052 0.000 1.089 47 D HN 0.161 nan 8.370 nan 0.000 0.478 48 N N -0.644 118.034 118.700 -0.038 0.000 3.268 48 N HA -0.290 4.450 4.740 -0.000 0.000 0.220 48 N C 0.516 176.004 175.510 -0.037 0.000 0.158 48 N CA 1.532 54.562 53.050 -0.033 0.000 3.693 48 N CB -1.338 37.130 38.487 -0.031 0.000 1.061 48 N HN 0.481 nan 8.380 nan 0.000 0.266 49 c N 1.584 120.156 118.600 -0.047 0.000 1.436 49 c HA 0.203 4.773 4.570 -0.000 0.000 0.488 49 c C 1.561 175.627 174.090 -0.040 0.000 1.365 49 c CA 0.771 57.068 56.329 -0.053 0.000 1.726 49 c CB -1.970 40.490 42.510 -0.084 0.000 3.162 49 c HN 0.521 nan 8.230 nan 0.000 0.607 50 A N 6.048 128.853 122.820 -0.025 0.000 1.865 50 A HA 0.440 4.760 4.320 -0.000 0.000 0.204 50 A C -1.207 176.377 177.584 -0.000 0.000 1.791 50 A CA -0.042 51.986 52.037 -0.015 0.000 1.067 50 A CB -0.934 18.057 19.000 -0.016 0.000 1.069 50 A HN 0.569 nan 8.150 nan 0.000 0.556 51 P HA 0.026 nan 4.420 nan 0.000 0.323 51 P C -0.525 176.788 177.300 0.022 0.000 1.374 51 P CA -0.237 62.870 63.100 0.011 0.000 0.798 51 P CB -0.140 31.566 31.700 0.009 0.000 1.763 52 E N -0.309 119.905 120.200 0.025 0.000 2.070 52 E HA 0.034 4.384 4.350 -0.000 0.000 0.249 52 E C 0.378 177.001 176.600 0.038 0.000 1.247 52 E CA 0.487 56.907 56.400 0.033 0.000 1.009 52 E CB -0.725 28.993 29.700 0.030 0.000 1.093 52 E HN 0.199 nan 8.360 nan 0.000 0.443 53 S N 1.282 117.010 115.700 0.046 0.000 1.773 53 S HA -0.083 4.387 4.470 -0.000 0.000 0.203 53 S C 1.336 175.974 174.600 0.063 0.000 0.762 53 S CA 0.245 58.472 58.200 0.045 0.000 1.503 53 S CB -0.509 62.700 63.200 0.015 0.000 0.926 53 S HN 0.544 nan 8.310 nan 0.000 0.380 54 I N 0.989 121.597 120.570 0.063 0.000 2.143 54 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 54 I C 0.346 176.558 176.117 0.159 0.000 1.068 54 I CA 2.020 63.373 61.300 0.088 0.000 1.326 54 I CB -0.927 37.126 38.000 0.090 0.000 1.028 54 I HN 0.225 nan 8.210 nan 0.000 0.412 55 E N 0.888 121.185 120.200 0.161 0.000 2.210 55 E HA -0.271 4.079 4.350 -0.000 0.000 0.201 55 E C -0.726 176.021 176.600 0.244 0.000 1.339 55 E CA 0.788 57.296 56.400 0.179 0.000 0.699 55 E CB -1.843 27.979 29.700 0.204 0.000 1.126 55 E HN 0.657 nan 8.360 nan 0.000 0.355 56 F N 2.047 122.030 119.950 0.054 0.000 2.453 56 F HA 0.316 4.843 4.527 0.001 0.000 0.358 56 F C -2.100 173.720 175.800 0.033 0.000 1.129 56 F CA -2.408 55.619 58.000 0.046 0.000 1.200 56 F CB 0.974 39.998 39.000 0.040 0.000 1.431 56 F HN -0.189 nan 8.300 nan 0.000 0.503 57 P HA 0.203 nan 4.420 nan 0.000 0.282 57 P C -0.551 176.524 177.300 -0.374 0.000 1.274 57 P CA 0.031 63.000 63.100 -0.219 0.000 0.770 57 P CB 1.640 33.264 31.700 -0.126 0.000 0.867 58 V N 2.817 122.574 119.914 -0.262 0.000 2.785 58 V HA 0.156 4.276 4.120 -0.000 0.000 0.300 58 V C 1.110 177.128 176.094 -0.127 0.000 1.062 58 V CA -0.192 61.975 62.300 -0.222 0.000 1.029 58 V CB 1.216 32.984 31.823 -0.091 0.000 1.024 58 V HN 0.598 nan 8.190 nan 0.000 0.477 59 S N 2.301 117.942 115.700 -0.098 0.000 2.614 59 S HA 0.485 4.955 4.470 -0.000 0.000 0.265 59 S C -0.232 174.349 174.600 -0.032 0.000 1.303 59 S CA -0.536 57.632 58.200 -0.053 0.000 1.000 59 S CB 0.766 63.948 63.200 -0.030 0.000 0.935 59 S HN 0.801 nan 8.310 nan 0.000 0.551 60 E N -0.799 119.385 120.200 -0.027 0.000 2.412 60 E HA 0.585 4.935 4.350 -0.000 0.000 0.279 60 E C -1.549 175.034 176.600 -0.028 0.000 0.984 60 E CA -0.695 55.690 56.400 -0.024 0.000 0.788 60 E CB 1.970 31.648 29.700 -0.036 0.000 1.277 60 E HN 0.568 nan 8.360 nan 0.000 0.455 61 A N 2.513 125.316 122.820 -0.028 0.000 3.453 61 A HA 0.322 4.642 4.320 -0.000 0.000 0.262 61 A C -0.620 176.915 177.584 -0.082 0.000 1.026 61 A CA -0.523 51.476 52.037 -0.064 0.000 0.938 61 A CB 0.097 19.092 19.000 -0.008 0.000 1.246 61 A HN 0.449 nan 8.150 nan 0.000 0.546 62 R N 0.155 120.607 120.500 -0.081 0.000 2.484 62 R HA 0.257 4.597 4.340 -0.000 0.000 0.293 62 R C -0.126 176.113 176.300 -0.102 0.000 1.023 62 R CA 0.116 56.172 56.100 -0.074 0.000 1.037 62 R CB 0.636 30.898 30.300 -0.064 0.000 0.951 62 R HN 0.283 nan 8.270 nan 0.000 0.418 63 V N 6.178 126.042 119.914 -0.083 0.000 2.470 63 V HA -0.028 4.092 4.120 -0.000 0.000 0.276 63 V C 1.444 177.493 176.094 -0.075 0.000 1.040 63 V CA 0.337 62.583 62.300 -0.091 0.000 1.008 63 V CB 0.791 32.578 31.823 -0.059 0.000 0.990 63 V HN 0.754 nan 8.190 nan 0.000 0.477 64 L N 3.336 124.506 121.223 -0.088 0.000 2.253 64 L HA 0.314 4.654 4.340 -0.000 0.000 0.205 64 L C 1.012 177.849 176.870 -0.055 0.000 1.078 64 L CA 0.757 55.555 54.840 -0.070 0.000 0.805 64 L CB 0.225 42.236 42.059 -0.082 0.000 0.963 64 L HN 0.636 nan 8.230 nan 0.000 0.459 65 E N 0.922 121.087 120.200 -0.057 0.000 2.263 65 E HA 0.140 4.490 4.350 -0.000 0.000 0.268 65 E C -1.613 174.967 176.600 -0.033 0.000 0.884 65 E CA -0.439 55.937 56.400 -0.040 0.000 0.766 65 E CB 1.492 31.170 29.700 -0.038 0.000 1.196 65 E HN 0.105 nan 8.360 nan 0.000 0.416 66 D N 4.621 125.009 120.400 -0.020 0.000 2.517 66 D HA 0.203 4.843 4.640 -0.000 0.000 0.263 66 D C -0.522 175.778 176.300 -0.000 0.000 1.233 66 D CA -0.588 53.407 54.000 -0.008 0.000 0.849 66 D CB 0.178 40.975 40.800 -0.006 0.000 1.261 66 D HN 0.273 nan 8.370 nan 0.000 0.516 67 R N 1.401 121.902 120.500 0.003 0.000 2.643 67 R HA 0.323 4.663 4.340 -0.000 0.000 0.270 67 R C -1.996 174.313 176.300 0.015 0.000 1.061 67 R CA -1.014 55.091 56.100 0.009 0.000 1.107 67 R CB 0.166 30.473 30.300 0.011 0.000 0.999 67 R HN 0.266 nan 8.270 nan 0.000 0.460 68 P HA 0.019 nan 4.420 nan 0.000 0.272 68 P C -0.464 176.851 177.300 0.025 0.000 1.230 68 P CA -0.096 63.015 63.100 0.018 0.000 0.788 68 P CB 0.579 32.288 31.700 0.015 0.000 0.949 69 L N 0.974 122.214 121.223 0.027 0.000 2.426 69 L HA 0.146 4.486 4.340 -0.000 0.000 0.271 69 L C 1.176 178.065 176.870 0.032 0.000 1.169 69 L CA -0.165 54.695 54.840 0.033 0.000 0.836 69 L CB 0.049 42.128 42.059 0.034 0.000 1.112 69 L HN 0.375 nan 8.230 nan 0.000 0.465 70 S N 0.956 116.679 115.700 0.038 0.000 2.614 70 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 70 S C 0.239 174.860 174.600 0.036 0.000 1.303 70 S CA -0.717 57.507 58.200 0.039 0.000 1.000 70 S CB 1.379 64.612 63.200 0.055 0.000 0.935 70 S HN 0.591 nan 8.310 nan 0.000 0.551 71 D N 0.438 120.858 120.400 0.034 0.000 2.490 71 D HA 0.158 4.798 4.640 -0.000 0.000 0.244 71 D C 0.154 176.476 176.300 0.038 0.000 0.979 71 D CA 0.921 54.939 54.000 0.030 0.000 0.924 71 D CB 0.284 41.097 40.800 0.022 0.000 1.075 71 D HN 0.391 nan 8.370 nan 0.000 0.488 72 K N -0.528 119.897 120.400 0.042 0.000 2.185 72 K HA 0.605 4.925 4.320 -0.000 0.000 0.240 72 K C 0.834 177.478 176.600 0.073 0.000 0.983 72 K CA -0.625 55.692 56.287 0.049 0.000 0.873 72 K CB 2.124 34.645 32.500 0.034 0.000 1.118 72 K HN -0.054 nan 8.250 nan 0.000 0.441 73 G N -0.112 108.741 108.800 0.088 0.000 2.662 73 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.207 73 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.207 73 G C 1.423 176.333 174.900 0.016 0.000 1.154 73 G CA 0.430 45.604 45.100 0.123 0.000 0.837 73 G HN 0.603 nan 8.290 nan 0.000 0.580 74 S N 0.772 116.471 115.700 -0.002 0.000 2.402 74 S HA 0.155 4.625 4.470 -0.000 0.000 0.229 74 S C 1.764 176.355 174.600 -0.015 0.000 1.021 74 S CA 0.814 58.996 58.200 -0.030 0.000 0.974 74 S CB -0.616 62.571 63.200 -0.022 0.000 0.800 74 S HN 0.488 nan 8.310 nan 0.000 0.484 75 G N 1.738 110.540 108.800 0.003 0.000 2.526 75 G HA2 0.308 4.268 3.960 -0.000 0.000 0.293 75 G HA3 0.308 4.268 3.960 -0.000 0.000 0.293 75 G C -0.134 174.770 174.900 0.007 0.000 0.882 75 G CA -0.125 44.979 45.100 0.007 0.000 1.656 75 G HN 0.498 nan 8.290 nan 0.000 0.474 76 D N 1.619 122.019 120.400 -0.001 0.000 2.772 76 D HA 0.289 4.929 4.640 -0.000 0.000 0.255 76 D C 1.876 178.179 176.300 0.004 0.000 1.206 76 D CA 0.811 54.811 54.000 0.000 0.000 1.126 76 D CB 0.573 41.367 40.800 -0.010 0.000 1.012 76 D HN 0.320 nan 8.370 nan 0.000 0.322 77 S N -1.629 114.072 115.700 0.001 0.000 2.859 77 S HA -0.289 4.181 4.470 -0.000 0.000 0.245 77 S C 0.437 175.041 174.600 0.006 0.000 1.352 77 S CA 1.726 59.927 58.200 0.003 0.000 2.857 77 S CB -1.962 61.240 63.200 0.003 0.000 1.421 77 S HN 0.536 nan 8.310 nan 0.000 0.495 78 S N 3.522 119.227 115.700 0.009 0.000 2.499 78 S HA 0.432 4.902 4.470 -0.000 0.000 0.275 78 S C 0.052 174.662 174.600 0.017 0.000 1.257 78 S CA 0.179 58.386 58.200 0.013 0.000 1.050 78 S CB 0.692 63.901 63.200 0.014 0.000 0.937 78 S HN 0.625 nan 8.310 nan 0.000 0.490 79 Q N 3.546 123.357 119.800 0.018 0.000 2.315 79 Q HA 0.157 4.497 4.340 -0.000 0.000 0.289 79 Q C -0.430 175.594 176.000 0.039 0.000 1.044 79 Q CA -0.388 55.430 55.803 0.025 0.000 0.920 79 Q CB 0.122 28.874 28.738 0.024 0.000 1.214 79 Q HN 0.438 nan 8.270 nan 0.000 0.392 80 V N 3.489 123.435 119.914 0.054 0.000 2.637 80 V HA 0.156 4.276 4.120 -0.000 0.000 0.296 80 V C 0.252 176.400 176.094 0.090 0.000 1.046 80 V CA 0.044 62.397 62.300 0.088 0.000 1.066 80 V CB 1.091 33.003 31.823 0.149 0.000 0.968 80 V HN 0.912 nan 8.190 nan 0.000 0.483 81 T N 4.977 119.578 114.554 0.077 0.000 2.879 81 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 81 T C 0.164 174.900 174.700 0.060 0.000 0.993 81 T CA -0.500 61.638 62.100 0.064 0.000 0.975 81 T CB 1.522 70.419 68.868 0.048 0.000 0.981 81 T HN 0.771 nan 8.240 nan 0.000 0.439 82 Q N 1.267 121.111 119.800 0.072 0.000 2.149 82 Q HA 0.369 4.709 4.340 -0.000 0.000 0.221 82 Q C -0.424 175.658 176.000 0.137 0.000 0.807 82 Q CA -0.148 55.715 55.803 0.101 0.000 1.000 82 Q CB 1.407 30.207 28.738 0.104 0.000 1.157 82 Q HN 0.333 nan 8.270 nan 0.000 0.487 83 V N 0.718 120.690 119.914 0.098 0.000 2.567 83 V HA 0.119 4.239 4.120 -0.000 0.000 0.298 83 V C 0.510 176.637 176.094 0.056 0.000 1.047 83 V CA -0.234 62.112 62.300 0.076 0.000 0.880 83 V CB 1.833 33.697 31.823 0.068 0.000 1.009 83 V HN 0.135 nan 8.190 nan 0.000 0.429 84 S N 5.391 121.124 115.700 0.055 0.000 2.357 84 S HA 0.136 4.606 4.470 -0.000 0.000 0.221 84 S C -1.721 172.896 174.600 0.029 0.000 1.031 84 S CA 0.960 59.185 58.200 0.042 0.000 0.982 84 S CB -0.096 63.130 63.200 0.042 0.000 0.853 84 S HN 0.648 nan 8.310 nan 0.000 0.458 85 P HA 0.370 nan 4.420 nan 0.000 0.294 85 P C -0.488 176.805 177.300 -0.012 0.000 1.294 85 P CA -0.355 62.746 63.100 0.002 0.000 0.827 85 P CB 1.376 33.076 31.700 0.001 0.000 0.992 86 Q N 2.573 122.355 119.800 -0.030 0.000 2.394 86 Q HA 0.127 4.467 4.340 -0.000 0.000 0.218 86 Q C 0.453 176.409 176.000 -0.074 0.000 0.907 86 Q CA 0.938 56.720 55.803 -0.035 0.000 0.919 86 Q CB 0.400 29.125 28.738 -0.020 0.000 1.051 86 Q HN 0.565 nan 8.270 nan 0.000 0.538 87 R N -0.118 120.325 120.500 -0.095 0.000 2.626 87 R HA 0.777 5.117 4.340 -0.000 0.000 0.274 87 R C -1.325 174.875 176.300 -0.168 0.000 1.031 87 R CA -0.662 55.354 56.100 -0.141 0.000 0.898 87 R CB 1.882 32.111 30.300 -0.118 0.000 1.222 87 R HN 0.060 nan 8.270 nan 0.000 0.455 88 I N 1.356 121.782 120.570 -0.240 0.000 2.586 88 I HA 0.547 4.717 4.170 -0.000 0.000 0.288 88 I C -1.364 174.577 176.117 -0.293 0.000 1.147 88 I CA -0.629 60.502 61.300 -0.281 0.000 1.047 88 I CB 2.138 39.888 38.000 -0.417 0.000 1.244 88 I HN 0.982 nan 8.210 nan 0.000 0.429 89 A N 7.593 130.282 122.820 -0.218 0.000 2.260 89 A HA 0.673 4.993 4.320 -0.000 0.000 0.308 89 A C -1.314 176.163 177.584 -0.178 0.000 1.254 89 A CA -0.416 51.510 52.037 -0.186 0.000 0.874 89 A CB 0.943 19.863 19.000 -0.134 0.000 1.153 89 A HN 0.637 nan 8.150 nan 0.000 0.527 90 L N 3.044 124.158 121.223 -0.181 0.000 2.313 90 L HA 0.551 4.891 4.340 -0.000 0.000 0.283 90 L C -0.073 176.713 176.870 -0.141 0.000 1.013 90 L CA -0.060 54.695 54.840 -0.142 0.000 0.816 90 L CB 1.285 43.274 42.059 -0.117 0.000 1.236 90 L HN 0.720 nan 8.230 nan 0.000 0.419 91 R N 6.150 126.589 120.500 -0.102 0.000 2.337 91 R HA 0.580 4.920 4.340 -0.000 0.000 0.319 91 R C -1.418 174.848 176.300 -0.056 0.000 0.954 91 R CA -0.658 55.384 56.100 -0.096 0.000 0.840 91 R CB 1.311 31.567 30.300 -0.072 0.000 1.164 91 R HN 0.576 nan 8.270 nan 0.000 0.472 92 L N 3.959 125.159 121.223 -0.040 0.000 2.329 92 L HA 0.557 4.897 4.340 -0.000 0.000 0.279 92 L C 0.427 177.343 176.870 0.077 0.000 1.014 92 L CA -0.977 53.887 54.840 0.040 0.000 0.814 92 L CB 1.759 43.886 42.059 0.112 0.000 1.257 92 L HN 0.533 nan 8.230 nan 0.000 0.424 93 R N 3.619 124.138 120.500 0.032 0.000 2.549 93 R HA 0.598 4.937 4.340 -0.000 0.000 0.259 93 R C -2.660 173.660 176.300 0.032 0.000 1.095 93 R CA -1.620 54.489 56.100 0.015 0.000 1.148 93 R CB 0.140 30.407 30.300 -0.055 0.000 1.181 93 R HN 0.205 nan 8.270 nan 0.000 0.571 94 P HA 0.064 nan 4.420 nan 0.000 0.276 94 P C -1.040 176.256 177.300 -0.008 0.000 1.230 94 P CA 0.228 63.325 63.100 -0.005 0.000 0.776 94 P CB 0.367 32.048 31.700 -0.033 0.000 0.888 95 D N -0.264 120.133 120.400 -0.006 0.000 2.737 95 D HA -0.178 4.462 4.640 -0.000 0.000 0.238 95 D C -0.285 176.020 176.300 0.007 0.000 1.157 95 D CA 1.490 55.487 54.000 -0.004 0.000 0.694 95 D CB -1.134 39.657 40.800 -0.014 0.000 1.021 95 D HN 0.477 nan 8.370 nan 0.000 0.420 96 D N -1.031 119.382 120.400 0.021 0.000 2.596 96 D HA 0.628 5.268 4.640 -0.000 0.000 0.234 96 D C -0.888 175.432 176.300 0.034 0.000 1.181 96 D CA -0.364 53.648 54.000 0.021 0.000 0.856 96 D CB 1.646 42.452 40.800 0.009 0.000 1.498 96 D HN 0.012 nan 8.370 nan 0.000 0.446 97 S N 1.048 116.764 115.700 0.026 0.000 2.569 97 S HA 0.826 5.296 4.470 -0.000 0.000 0.280 97 S C -1.134 173.486 174.600 0.034 0.000 1.111 97 S CA -0.910 57.309 58.200 0.031 0.000 0.887 97 S CB 2.402 65.609 63.200 0.011 0.000 1.095 97 S HN 0.290 nan 8.310 nan 0.000 0.476 98 K N 1.716 122.150 120.400 0.056 0.000 2.498 98 K HA 0.452 4.772 4.320 -0.000 0.000 0.254 98 K C -1.299 175.362 176.600 0.103 0.000 0.933 98 K CA -0.499 55.833 56.287 0.075 0.000 0.806 98 K CB 2.131 34.685 32.500 0.089 0.000 1.301 98 K HN 0.973 nan 8.250 nan 0.000 0.432 99 N N 1.622 120.364 118.700 0.070 0.000 2.443 99 N HA 0.607 5.347 4.740 -0.000 0.000 0.293 99 N C -0.372 175.215 175.510 0.128 0.000 1.159 99 N CA -0.259 52.778 53.050 -0.021 0.000 0.904 99 N CB 1.180 39.626 38.487 -0.068 0.000 1.214 99 N HN 0.453 nan 8.380 nan 0.000 0.513 100 F N -2.696 117.248 119.950 -0.011 0.000 2.877 100 F HA 0.699 5.227 4.527 0.002 0.000 0.319 100 F C -1.136 174.678 175.800 0.022 0.000 1.174 100 F CA -1.107 56.894 58.000 0.002 0.000 0.903 100 F CB 0.801 39.800 39.000 -0.002 0.000 1.357 100 F HN 0.644 nan 8.300 nan 0.000 0.472 101 S N 0.748 116.624 115.700 0.294 0.000 2.661 101 S HA 0.874 5.344 4.470 -0.000 0.000 0.285 101 S C -1.472 173.292 174.600 0.274 0.000 1.138 101 S CA -0.737 57.578 58.200 0.192 0.000 0.855 101 S CB 2.179 65.442 63.200 0.106 0.000 1.136 101 S HN 1.289 nan 8.310 nan 0.000 0.484 102 I N 0.636 121.346 120.570 0.233 0.000 2.610 102 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 102 I C -1.982 174.250 176.117 0.192 0.000 1.163 102 I CA -0.476 60.951 61.300 0.211 0.000 1.044 102 I CB 2.024 40.163 38.000 0.231 0.000 1.251 102 I HN 0.676 nan 8.210 nan 0.000 0.424 103 Q N 5.983 125.859 119.800 0.125 0.000 2.368 103 Q HA 0.488 4.828 4.340 -0.000 0.000 0.256 103 Q C -1.023 175.032 176.000 0.092 0.000 0.980 103 Q CA -0.289 55.570 55.803 0.093 0.000 0.887 103 Q CB 1.867 30.637 28.738 0.053 0.000 1.221 103 Q HN 0.485 nan 8.270 nan 0.000 0.458 104 V N 2.962 122.942 119.914 0.111 0.000 2.539 104 V HA 0.544 4.664 4.120 -0.000 0.000 0.292 104 V C -0.022 176.113 176.094 0.069 0.000 1.045 104 V CA -0.750 61.592 62.300 0.070 0.000 0.945 104 V CB 1.589 33.416 31.823 0.006 0.000 0.993 104 V HN 0.625 nan 8.190 nan 0.000 0.464 105 R N 2.685 123.252 120.500 0.111 0.000 2.621 105 R HA 0.479 4.819 4.340 -0.000 0.000 0.292 105 R C -0.992 175.391 176.300 0.137 0.000 0.969 105 R CA -0.845 55.310 56.100 0.092 0.000 0.887 105 R CB 1.742 32.078 30.300 0.060 0.000 1.180 105 R HN 0.660 nan 8.270 nan 0.000 0.450 106 Q N 3.107 122.953 119.800 0.077 0.000 2.490 106 Q HA 0.225 4.564 4.340 -0.000 0.000 0.226 106 Q C -1.064 174.921 176.000 -0.026 0.000 1.132 106 Q CA -0.225 55.599 55.803 0.034 0.000 0.928 106 Q CB 1.069 29.821 28.738 0.023 0.000 1.299 106 Q HN 0.401 nan 8.270 nan 0.000 0.528 107 V N 3.742 123.604 119.914 -0.087 0.000 2.555 107 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 107 V C 0.698 176.811 176.094 0.032 0.000 1.044 107 V CA -0.378 61.905 62.300 -0.028 0.000 1.026 107 V CB 1.000 32.804 31.823 -0.031 0.000 0.981 107 V HN 0.645 nan 8.190 nan 0.000 0.480 108 E N 3.108 123.339 120.200 0.052 0.000 2.384 108 E HA 0.007 4.357 4.350 -0.000 0.000 0.266 108 E C 0.517 177.180 176.600 0.104 0.000 1.012 108 E CA 0.319 56.761 56.400 0.070 0.000 0.901 108 E CB 0.329 30.058 29.700 0.049 0.000 0.967 108 E HN 0.785 nan 8.360 nan 0.000 0.435 109 D N 1.706 122.175 120.400 0.115 0.000 2.870 109 D HA -0.260 4.380 4.640 -0.000 0.000 0.228 109 D C -0.969 175.407 176.300 0.128 0.000 1.147 109 D CA 0.631 54.693 54.000 0.103 0.000 0.757 109 D CB -1.687 39.149 40.800 0.060 0.000 1.091 109 D HN 0.401 nan 8.370 nan 0.000 0.429 110 Y N 0.349 120.668 120.300 0.033 0.000 2.425 110 Y HA 0.365 4.914 4.550 -0.001 0.000 0.331 110 Y C -1.764 174.153 175.900 0.028 0.000 1.157 110 Y CA -1.594 56.512 58.100 0.010 0.000 1.372 110 Y CB 0.706 39.152 38.460 -0.025 0.000 1.253 110 Y HN 0.007 nan 8.280 nan 0.000 0.536 111 P HA 0.146 nan 4.420 nan 0.000 0.274 111 P C -1.292 175.944 177.300 -0.107 0.000 1.237 111 P CA -0.142 62.830 63.100 -0.214 0.000 0.793 111 P CB 1.772 33.309 31.700 -0.272 0.000 0.977 112 V N 1.690 121.587 119.914 -0.028 0.000 2.686 112 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 112 V C -1.395 174.758 176.094 0.099 0.000 1.065 112 V CA -0.723 61.605 62.300 0.047 0.000 0.894 112 V CB 1.918 33.701 31.823 -0.066 0.000 1.004 112 V HN 0.370 nan 8.190 nan 0.000 0.424 113 D N 6.402 126.955 120.400 0.256 0.000 2.177 113 D HA 0.546 5.186 4.640 -0.000 0.000 0.247 113 D C -0.375 176.140 176.300 0.359 0.000 1.063 113 D CA 0.256 54.453 54.000 0.330 0.000 0.867 113 D CB 2.026 43.179 40.800 0.588 0.000 1.168 113 D HN 0.531 nan 8.370 nan 0.000 0.445 114 I N 2.559 123.274 120.570 0.241 0.000 2.448 114 I HA 0.140 4.310 4.170 -0.000 0.000 0.281 114 I C -1.120 175.156 176.117 0.264 0.000 1.027 114 I CA -0.940 60.510 61.300 0.251 0.000 1.111 114 I CB 1.165 39.237 38.000 0.120 0.000 1.236 114 I HN 0.225 nan 8.210 nan 0.000 0.452 115 Y N 6.664 127.092 120.300 0.213 0.000 2.341 115 Y HA 0.300 4.851 4.550 0.001 0.000 0.340 115 Y C -0.905 175.145 175.900 0.250 0.000 0.997 115 Y CA -0.500 57.693 58.100 0.155 0.000 1.149 115 Y CB 0.873 39.330 38.460 -0.006 0.000 1.171 115 Y HN 0.437 nan 8.280 nan 0.000 0.494 116 Y N 7.540 127.727 120.300 -0.189 0.000 2.454 116 Y HA 0.420 4.970 4.550 -0.000 0.000 0.345 116 Y C -1.344 174.372 175.900 -0.307 0.000 0.970 116 Y CA -0.730 57.346 58.100 -0.039 0.000 1.204 116 Y CB 0.533 39.152 38.460 0.266 0.000 1.122 116 Y HN 0.615 nan 8.280 nan 0.000 0.514 117 L N 8.902 130.080 121.223 -0.076 0.000 2.295 117 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 117 L C -0.804 176.127 176.870 0.101 0.000 1.018 117 L CA -0.659 54.234 54.840 0.088 0.000 0.841 117 L CB 0.787 43.061 42.059 0.359 0.000 1.218 117 L HN 0.722 nan 8.230 nan 0.000 0.424 118 M N 2.104 121.744 119.600 0.068 0.000 2.465 118 M HA 0.529 5.009 4.480 -0.000 0.000 0.316 118 M C -0.789 175.293 176.300 -0.364 0.000 1.121 118 M CA -0.684 54.622 55.300 0.010 0.000 0.934 118 M CB 1.651 34.397 32.600 0.243 0.000 1.692 118 M HN 0.477 nan 8.290 nan 0.000 0.444 119 D N 3.152 123.122 120.400 -0.717 0.000 2.493 119 D HA 0.135 4.775 4.640 -0.000 0.000 0.240 119 D C -0.554 175.506 176.300 -0.400 0.000 1.142 119 D CA 0.340 53.710 54.000 -1.051 0.000 0.872 119 D CB 0.651 41.117 40.800 -0.557 0.000 1.173 119 D HN 0.790 nan 8.370 nan 0.000 0.467 120 L N 3.190 124.240 121.223 -0.288 0.000 3.168 120 L HA 0.130 4.470 4.340 -0.000 0.000 0.277 120 L C 0.556 177.431 176.870 0.009 0.000 1.308 120 L CA -0.509 54.322 54.840 -0.014 0.000 0.976 120 L CB 0.067 42.247 42.059 0.201 0.000 1.383 120 L HN 0.299 nan 8.230 nan 0.000 0.572 121 S N -2.034 113.639 115.700 -0.045 0.000 2.584 121 S HA -0.001 4.469 4.470 -0.000 0.000 0.270 121 S C 1.056 175.713 174.600 0.094 0.000 1.346 121 S CA -0.320 57.902 58.200 0.037 0.000 1.018 121 S CB 0.895 64.112 63.200 0.029 0.000 0.899 121 S HN 0.328 nan 8.310 nan 0.000 0.542 122 Y N 2.663 122.978 120.300 0.025 0.000 2.181 122 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 122 Y C 2.660 178.574 175.900 0.024 0.000 1.179 122 Y CA 2.335 60.452 58.100 0.028 0.000 1.179 122 Y CB -0.947 37.529 38.460 0.026 0.000 0.973 122 Y HN 0.883 nan 8.280 nan 0.000 0.519 123 S N -0.900 114.853 115.700 0.087 0.000 2.440 123 S HA -0.200 4.270 4.470 -0.000 0.000 0.238 123 S C 1.536 176.110 174.600 -0.044 0.000 1.010 123 S CA 1.435 59.645 58.200 0.017 0.000 0.972 123 S CB -0.413 62.821 63.200 0.058 0.000 0.774 123 S HN 0.427 nan 8.310 nan 0.000 0.501 124 M N 1.640 121.213 119.600 -0.047 0.000 2.453 124 M HA 0.195 4.675 4.480 -0.000 0.000 0.239 124 M C 1.742 178.017 176.300 -0.041 0.000 1.151 124 M CA 0.345 55.628 55.300 -0.029 0.000 0.989 124 M CB -0.528 32.062 32.600 -0.018 0.000 1.548 124 M HN 0.642 nan 8.290 nan 0.000 0.479 125 K N 1.049 121.372 120.400 -0.128 0.000 2.057 125 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 125 K C 1.190 177.771 176.600 -0.032 0.000 1.050 125 K CA 1.886 58.099 56.287 -0.124 0.000 0.935 125 K CB -0.371 31.949 32.500 -0.300 0.000 0.715 125 K HN 0.258 nan 8.250 nan 0.000 0.439 126 D N 1.070 121.446 120.400 -0.041 0.000 2.224 126 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 126 D C 0.794 177.164 176.300 0.116 0.000 0.965 126 D CA 1.121 55.144 54.000 0.038 0.000 0.852 126 D CB -0.230 40.569 40.800 -0.001 0.000 0.947 126 D HN 0.293 nan 8.370 nan 0.000 0.494 127 D N 1.181 121.624 120.400 0.072 0.000 2.077 127 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 127 D C 2.148 178.500 176.300 0.087 0.000 0.986 127 D CA 0.351 54.401 54.000 0.084 0.000 0.829 127 D CB -0.440 40.404 40.800 0.072 0.000 0.983 127 D HN 0.039 nan 8.370 nan 0.000 0.453 128 L N 0.635 121.903 121.223 0.074 0.000 2.089 128 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 128 L C 1.953 178.848 176.870 0.042 0.000 1.079 128 L CA 1.790 56.654 54.840 0.039 0.000 0.758 128 L CB -0.815 41.267 42.059 0.039 0.000 0.891 128 L HN 0.469 nan 8.230 nan 0.000 0.433 129 W N 0.945 122.205 121.300 -0.067 0.000 2.333 129 W HA -0.274 4.387 4.660 0.000 0.000 0.316 129 W C 2.481 178.966 176.519 -0.058 0.000 1.215 129 W CA 2.216 59.521 57.345 -0.066 0.000 1.278 129 W CB -0.347 29.080 29.460 -0.056 0.000 1.154 129 W HN 0.481 nan 8.180 nan 0.000 0.486 130 S N 0.136 115.765 115.700 -0.118 0.000 2.522 130 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 130 S C 1.624 176.108 174.600 -0.194 0.000 0.986 130 S CA 0.696 58.765 58.200 -0.219 0.000 0.929 130 S CB -0.596 62.602 63.200 -0.004 0.000 0.769 130 S HN 0.165 nan 8.310 nan 0.000 0.529 131 I N 3.252 123.728 120.570 -0.157 0.000 2.546 131 I HA -0.158 4.012 4.170 -0.000 0.000 0.255 131 I C 2.900 178.903 176.117 -0.190 0.000 1.163 131 I CA 1.128 62.339 61.300 -0.147 0.000 1.457 131 I CB -1.471 36.432 38.000 -0.161 0.000 1.092 131 I HN 0.624 nan 8.210 nan 0.000 0.434 132 Q N 0.777 120.398 119.800 -0.299 0.000 2.152 132 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 132 Q C 1.835 177.703 176.000 -0.220 0.000 0.985 132 Q CA 1.913 57.529 55.803 -0.311 0.000 0.863 132 Q CB -0.665 27.813 28.738 -0.434 0.000 0.904 132 Q HN 0.433 nan 8.270 nan 0.000 0.422 133 N N 0.542 119.101 118.700 -0.234 0.000 2.244 133 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 133 N C 0.579 176.028 175.510 -0.101 0.000 1.016 133 N CA 0.191 53.141 53.050 -0.166 0.000 0.866 133 N CB -0.092 38.292 38.487 -0.171 0.000 0.980 133 N HN 0.208 nan 8.380 nan 0.000 0.430 134 L N -0.133 121.042 121.223 -0.080 0.000 2.492 134 L HA 0.190 4.530 4.340 -0.000 0.000 0.280 134 L C 1.419 178.243 176.870 -0.076 0.000 1.240 134 L CA 1.552 56.348 54.840 -0.073 0.000 0.831 134 L CB 0.399 42.423 42.059 -0.057 0.000 1.100 134 L HN 0.482 nan 8.230 nan 0.000 0.505 135 G N 0.916 109.544 108.800 -0.286 0.000 3.626 135 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.241 135 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.241 135 G C 0.848 175.614 174.900 -0.223 0.000 1.824 135 G CA 0.846 45.689 45.100 -0.428 0.000 1.511 135 G HN 1.061 nan 8.290 nan 0.000 0.600 136 T N -0.066 114.418 114.554 -0.117 0.000 2.788 136 T HA 0.029 4.379 4.350 -0.000 0.000 0.268 136 T C 2.034 176.681 174.700 -0.089 0.000 1.044 136 T CA 2.154 64.200 62.100 -0.089 0.000 1.139 136 T CB -0.137 68.693 68.868 -0.063 0.000 0.867 136 T HN 0.610 nan 8.240 nan 0.000 0.454 137 K N 0.188 120.533 120.400 -0.092 0.000 2.057 137 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 137 K C 2.233 178.782 176.600 -0.084 0.000 1.050 137 K CA 1.010 57.251 56.287 -0.078 0.000 0.935 137 K CB -0.290 32.167 32.500 -0.072 0.000 0.715 137 K HN 0.279 nan 8.250 nan 0.000 0.439 138 L N 0.890 122.040 121.223 -0.122 0.000 2.109 138 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 138 L C 2.107 178.907 176.870 -0.118 0.000 1.086 138 L CA 1.777 56.543 54.840 -0.125 0.000 0.760 138 L CB -0.607 41.340 42.059 -0.187 0.000 0.910 138 L HN 0.187 nan 8.230 nan 0.000 0.437 139 A N -1.098 121.646 122.820 -0.127 0.000 1.933 139 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 139 A C 2.344 179.882 177.584 -0.075 0.000 1.175 139 A CA 2.273 54.247 52.037 -0.104 0.000 0.628 139 A CB -1.279 17.662 19.000 -0.098 0.000 0.814 139 A HN 0.603 nan 8.150 nan 0.000 0.444 140 T N -3.092 111.423 114.554 -0.065 0.000 2.951 140 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 140 T C 1.793 176.469 174.700 -0.040 0.000 1.073 140 T CA 1.355 63.427 62.100 -0.047 0.000 1.134 140 T CB -0.216 68.628 68.868 -0.040 0.000 0.884 140 T HN 0.418 nan 8.240 nan 0.000 0.479 141 Q N 0.591 120.364 119.800 -0.044 0.000 2.062 141 Q HA 0.191 4.531 4.340 -0.000 0.000 0.196 141 Q C 2.464 178.440 176.000 -0.041 0.000 0.967 141 Q CA 0.919 56.702 55.803 -0.033 0.000 0.832 141 Q CB -0.463 28.259 28.738 -0.028 0.000 0.899 141 Q HN 0.448 nan 8.270 nan 0.000 0.442 142 M N 0.621 120.180 119.600 -0.068 0.000 2.213 142 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 142 M C 2.059 178.318 176.300 -0.069 0.000 1.062 142 M CA 1.058 56.300 55.300 -0.096 0.000 1.105 142 M CB -0.910 31.610 32.600 -0.134 0.000 1.385 142 M HN 0.097 nan 8.290 nan 0.000 0.417 143 R N 1.138 121.606 120.500 -0.053 0.000 2.178 143 R HA -0.213 4.127 4.340 -0.000 0.000 0.257 143 R C 1.880 178.169 176.300 -0.019 0.000 1.163 143 R CA 1.995 58.074 56.100 -0.035 0.000 0.981 143 R CB -0.256 30.026 30.300 -0.031 0.000 0.878 143 R HN 0.410 nan 8.270 nan 0.000 0.454 144 K N -0.528 119.865 120.400 -0.012 0.000 1.973 144 K HA -0.064 4.256 4.320 -0.000 0.000 0.210 144 K C 2.091 178.705 176.600 0.024 0.000 1.045 144 K CA 1.737 58.028 56.287 0.007 0.000 0.937 144 K CB -0.263 32.244 32.500 0.012 0.000 0.721 144 K HN 0.160 nan 8.250 nan 0.000 0.438 145 L N 0.316 121.557 121.223 0.030 0.000 2.291 145 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 145 L C 1.239 178.156 176.870 0.078 0.000 1.120 145 L CA 0.487 55.379 54.840 0.086 0.000 0.799 145 L CB 0.084 42.231 42.059 0.147 0.000 0.925 145 L HN 0.208 nan 8.230 nan 0.000 0.446 146 T N -3.151 111.409 114.554 0.010 0.000 2.868 146 T HA 0.264 4.614 4.350 -0.000 0.000 0.306 146 T C 0.370 175.060 174.700 -0.016 0.000 1.224 146 T CA 0.001 62.104 62.100 0.005 0.000 1.012 146 T CB 1.933 70.780 68.868 -0.035 0.000 1.221 146 T HN -0.052 nan 8.240 nan 0.000 0.499 147 S N 2.330 118.022 115.700 -0.013 0.000 2.346 147 S HA 0.196 4.666 4.470 -0.000 0.000 0.204 147 S C 0.725 175.304 174.600 -0.035 0.000 1.008 147 S CA 0.228 58.415 58.200 -0.021 0.000 0.925 147 S CB -0.347 62.845 63.200 -0.014 0.000 0.903 147 S HN 0.667 nan 8.310 nan 0.000 0.537 148 N N 2.216 120.891 118.700 -0.042 0.000 2.439 148 N HA 0.295 5.034 4.740 -0.000 0.000 0.243 148 N C -0.990 174.488 175.510 -0.053 0.000 1.088 148 N CA -0.110 52.911 53.050 -0.048 0.000 0.940 148 N CB 0.091 38.544 38.487 -0.057 0.000 1.180 148 N HN 0.598 nan 8.380 nan 0.000 0.505 149 L N 3.753 124.948 121.223 -0.047 0.000 2.354 149 L HA 0.721 5.061 4.340 -0.000 0.000 0.269 149 L C -0.977 175.875 176.870 -0.029 0.000 1.005 149 L CA -0.904 53.909 54.840 -0.045 0.000 0.819 149 L CB 1.350 43.368 42.059 -0.069 0.000 1.311 149 L HN 0.517 nan 8.230 nan 0.000 0.423 150 R N 4.904 125.399 120.500 -0.008 0.000 2.651 150 R HA 0.708 5.048 4.340 -0.000 0.000 0.278 150 R C -1.283 175.028 176.300 0.017 0.000 1.010 150 R CA -0.888 55.212 56.100 0.001 0.000 0.896 150 R CB 1.637 31.944 30.300 0.012 0.000 1.211 150 R HN 0.756 nan 8.270 nan 0.000 0.456 151 I N -1.477 119.100 120.570 0.011 0.000 2.846 151 I HA 0.934 5.104 4.170 -0.000 0.000 0.307 151 I C -0.547 175.638 176.117 0.113 0.000 1.053 151 I CA -1.023 60.297 61.300 0.033 0.000 1.050 151 I CB 2.544 40.484 38.000 -0.099 0.000 1.239 151 I HN 0.777 nan 8.210 nan 0.000 0.439 152 G N 2.089 110.987 108.800 0.163 0.000 2.975 152 G HA2 0.749 4.709 3.960 -0.000 0.000 0.291 152 G HA3 0.749 4.709 3.960 -0.000 0.000 0.291 152 G C -2.170 172.760 174.900 0.049 0.000 1.334 152 G CA -0.668 44.529 45.100 0.162 0.000 0.843 152 G HN 0.681 nan 8.290 nan 0.000 0.548 153 F N -0.942 118.733 119.950 -0.459 0.000 2.665 153 F HA 0.674 5.201 4.527 -0.000 0.000 0.308 153 F C -0.164 175.329 175.800 -0.512 0.000 1.112 153 F CA 0.034 57.715 58.000 -0.532 0.000 0.972 153 F CB 2.179 40.953 39.000 -0.378 0.000 1.295 153 F HN 0.986 nan 8.300 nan 0.000 0.440 154 G N 2.059 110.221 108.800 -1.063 0.000 2.720 154 G HA2 0.804 4.764 3.960 -0.000 0.000 0.295 154 G HA3 0.804 4.764 3.960 -0.000 0.000 0.295 154 G C -2.382 172.285 174.900 -0.389 0.000 1.437 154 G CA -0.308 44.622 45.100 -0.284 0.000 0.886 154 G HN 1.107 nan 8.290 nan 0.000 0.509 155 A N -0.001 122.851 122.820 0.053 0.000 2.515 155 A HA 0.985 5.305 4.320 -0.000 0.000 0.296 155 A C -1.179 176.822 177.584 0.695 0.000 1.094 155 A CA -0.810 51.362 52.037 0.226 0.000 0.718 155 A CB 1.479 20.570 19.000 0.152 0.000 1.307 155 A HN 1.988 nan 8.150 nan 0.000 0.408 156 F N -1.087 119.173 119.950 0.517 0.000 2.601 156 F HA 0.762 5.289 4.527 0.000 0.000 0.309 156 F C -0.872 175.020 175.800 0.154 0.000 1.089 156 F CA -1.082 57.203 58.000 0.475 0.000 0.940 156 F CB 1.902 41.133 39.000 0.385 0.000 1.273 156 F HN 0.259 nan 8.300 nan 0.000 0.450 157 V N 1.801 121.683 119.914 -0.053 0.000 3.214 157 V HA 0.278 4.398 4.120 -0.000 0.000 0.433 157 V C -0.769 175.311 176.094 -0.023 0.000 1.469 157 V CA -0.201 61.989 62.300 -0.183 0.000 1.825 157 V CB -0.429 31.101 31.823 -0.488 0.000 1.245 157 V HN 1.019 nan 8.190 nan 0.000 0.637 158 D N 1.476 122.001 120.400 0.209 0.000 10.957 158 D HA -0.176 4.464 4.640 -0.000 0.000 0.361 158 D C 0.096 176.500 176.300 0.172 0.000 3.111 158 D CA 0.811 54.935 54.000 0.206 0.000 2.605 158 D CB 0.427 41.318 40.800 0.151 0.000 1.159 158 D HN 0.509 nan 8.370 nan 0.000 0.941 159 K N 1.883 122.386 120.400 0.172 0.000 2.451 159 K HA 0.201 4.521 4.320 -0.000 0.000 0.280 159 K C -1.746 174.986 176.600 0.221 0.000 1.020 159 K CA -0.769 55.626 56.287 0.179 0.000 1.008 159 K CB 0.468 33.051 32.500 0.138 0.000 0.917 159 K HN 0.170 nan 8.250 nan 0.000 0.478 160 P HA -0.002 nan 4.420 nan 0.000 0.226 160 P C -0.785 176.591 177.300 0.126 0.000 1.783 160 P CA -0.072 63.114 63.100 0.145 0.000 0.980 160 P CB -0.198 31.572 31.700 0.116 0.000 1.967 161 V N -2.561 117.453 119.914 0.166 0.000 3.126 161 V HA 0.462 4.582 4.120 -0.000 0.000 0.314 161 V C 1.388 177.488 176.094 0.010 0.000 1.138 161 V CA -0.781 61.570 62.300 0.084 0.000 1.034 161 V CB 1.194 33.063 31.823 0.078 0.000 1.075 161 V HN -0.097 nan 8.190 nan 0.000 0.442 162 S N 1.241 116.908 115.700 -0.056 0.000 2.440 162 S HA -0.026 4.444 4.470 -0.000 0.000 0.238 162 S C -0.873 173.631 174.600 -0.159 0.000 1.010 162 S CA 2.195 60.346 58.200 -0.081 0.000 0.972 162 S CB -1.139 62.019 63.200 -0.071 0.000 0.774 162 S HN 0.895 nan 8.310 nan 0.000 0.501 163 P HA 0.073 nan 4.420 nan 0.000 0.216 163 P C 0.782 177.883 177.300 -0.331 0.000 1.154 163 P CA 0.871 63.725 63.100 -0.410 0.000 0.857 163 P CB -0.079 31.207 31.700 -0.690 0.000 0.787 164 Y N -1.192 119.118 120.300 0.017 0.000 2.177 164 Y HA 0.144 4.694 4.550 -0.000 0.000 0.291 164 Y C 1.970 177.881 175.900 0.018 0.000 1.117 164 Y CA -0.091 58.042 58.100 0.055 0.000 1.114 164 Y CB -0.711 37.830 38.460 0.135 0.000 1.017 164 Y HN -0.144 nan 8.280 nan 0.000 0.505 165 M N 0.106 119.823 119.600 0.195 0.000 2.226 165 M HA 0.029 4.509 4.480 -0.000 0.000 0.324 165 M C -0.951 175.398 176.300 0.082 0.000 1.112 165 M CA -0.286 55.119 55.300 0.175 0.000 1.176 165 M CB 0.427 33.129 32.600 0.171 0.000 1.430 165 M HN 0.212 nan 8.290 nan 0.000 0.462 166 Y N 4.849 125.193 120.300 0.074 0.000 2.758 166 Y HA 0.011 4.561 4.550 -0.000 0.000 0.351 166 Y C 0.829 176.751 175.900 0.037 0.000 1.214 166 Y CA -0.097 58.040 58.100 0.061 0.000 1.983 166 Y CB -1.580 36.929 38.460 0.081 0.000 2.062 166 Y HN 0.651 nan 8.280 nan 0.000 0.416 167 I N -0.472 120.145 120.570 0.078 0.000 4.673 167 I HA -0.532 3.638 4.170 -0.000 0.000 0.072 167 I C 1.008 177.161 176.117 0.059 0.000 0.641 167 I CA 2.095 63.421 61.300 0.043 0.000 0.572 167 I CB -1.591 36.414 38.000 0.008 0.000 0.529 167 I HN 0.462 nan 8.210 nan 0.000 0.179 168 S N -3.692 112.044 115.700 0.060 0.000 3.907 168 S HA 0.224 4.694 4.470 -0.000 0.000 0.094 168 S C -1.696 172.919 174.600 0.025 0.000 0.860 168 S CA -0.408 57.815 58.200 0.037 0.000 0.828 168 S CB -0.697 62.512 63.200 0.015 0.000 1.108 168 S HN 0.332 nan 8.310 nan 0.000 0.715 169 P HA 0.158 nan 4.420 nan 0.000 0.213 169 P C -1.738 175.567 177.300 0.008 0.000 1.170 169 P CA 1.482 64.609 63.100 0.046 0.000 0.889 169 P CB -1.473 30.286 31.700 0.098 0.000 0.782 170 P HA 0.216 nan 4.420 nan 0.000 0.285 170 P C 0.756 177.984 177.300 -0.119 0.000 1.280 170 P CA -0.403 62.642 63.100 -0.092 0.000 0.862 170 P CB 1.656 33.254 31.700 -0.170 0.000 1.153 171 E N 0.824 120.963 120.200 -0.101 0.000 2.150 171 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 171 E C 1.816 178.335 176.600 -0.135 0.000 0.985 171 E CA 1.309 57.657 56.400 -0.088 0.000 0.814 171 E CB -0.572 29.093 29.700 -0.059 0.000 0.752 171 E HN 0.533 nan 8.360 nan 0.000 0.466 172 A N 0.952 123.647 122.820 -0.207 0.000 1.978 172 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 172 A C 2.081 179.451 177.584 -0.356 0.000 1.170 172 A CA 1.198 53.074 52.037 -0.268 0.000 0.636 172 A CB -0.498 18.304 19.000 -0.330 0.000 0.810 172 A HN 0.297 nan 8.150 nan 0.000 0.448 173 L N -0.366 120.573 121.223 -0.474 0.000 2.622 173 L HA 0.054 4.394 4.340 -0.000 0.000 0.233 173 L C 1.637 178.447 176.870 -0.099 0.000 1.156 173 L CA 1.619 56.245 54.840 -0.356 0.000 0.866 173 L CB -0.771 41.124 42.059 -0.272 0.000 0.980 173 L HN 0.391 nan 8.230 nan 0.000 0.448 174 E N 0.149 120.305 120.200 -0.074 0.000 2.204 174 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 174 E C 0.028 176.632 176.600 0.007 0.000 0.989 174 E CA 0.654 57.049 56.400 -0.008 0.000 0.824 174 E CB -0.036 29.658 29.700 -0.010 0.000 0.756 174 E HN 0.523 nan 8.360 nan 0.000 0.477 175 N N 1.443 120.132 118.700 -0.017 0.000 2.589 175 N HA 0.194 4.934 4.740 -0.000 0.000 0.232 175 N C -2.526 172.990 175.510 0.009 0.000 1.015 175 N CA -1.473 51.583 53.050 0.011 0.000 0.931 175 N CB 1.100 39.594 38.487 0.010 0.000 1.150 175 N HN 0.004 nan 8.380 nan 0.000 0.512 176 P HA 0.089 nan 4.420 nan 0.000 0.306 176 P C 0.200 177.520 177.300 0.033 0.000 1.301 176 P CA -0.298 62.794 63.100 -0.013 0.000 0.744 176 P CB 0.502 32.130 31.700 -0.119 0.000 1.400 177 c N -4.877 113.688 118.600 -0.059 0.000 4.663 177 c HA -0.199 4.371 4.570 -0.000 0.000 0.272 177 c C 1.995 176.052 174.090 -0.055 0.000 1.566 177 c CA 0.933 57.197 56.329 -0.109 0.000 1.735 177 c CB -3.400 39.073 42.510 -0.062 0.000 1.857 177 c HN 0.755 nan 8.230 nan 0.000 0.674 178 Y N 2.004 122.233 120.300 -0.117 0.000 2.256 178 Y HA -0.042 4.508 4.550 -0.000 0.000 0.288 178 Y C 1.647 177.496 175.900 -0.084 0.000 1.155 178 Y CA 1.943 59.995 58.100 -0.081 0.000 1.203 178 Y CB -0.792 37.629 38.460 -0.065 0.000 0.980 178 Y HN 0.439 nan 8.280 nan 0.000 0.530 179 D N 1.325 121.076 120.400 -1.081 0.000 2.149 179 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 179 D C -0.050 175.993 176.300 -0.428 0.000 0.990 179 D CA 1.674 55.120 54.000 -0.923 0.000 0.839 179 D CB -0.190 40.184 40.800 -0.710 0.000 0.948 179 D HN 0.519 nan 8.370 nan 0.000 0.460 180 M N -0.516 118.895 119.600 -0.315 0.000 2.022 180 M HA 0.345 4.825 4.480 -0.000 0.000 0.298 180 M C -0.265 175.951 176.300 -0.141 0.000 0.909 180 M CA -1.149 54.026 55.300 -0.207 0.000 0.914 180 M CB 1.871 34.340 32.600 -0.219 0.000 1.486 180 M HN -0.373 nan 8.290 nan 0.000 0.415 181 K N 1.502 121.844 120.400 -0.096 0.000 4.732 181 K HA -0.117 4.203 4.320 -0.000 0.000 0.258 181 K C -0.514 176.072 176.600 -0.024 0.000 0.680 181 K CA 1.129 57.388 56.287 -0.047 0.000 0.619 181 K CB -0.856 31.624 32.500 -0.033 0.000 2.239 181 K HN 0.941 nan 8.250 nan 0.000 0.372 182 T N -0.008 114.535 114.554 -0.019 0.000 2.654 182 T HA 0.459 4.809 4.350 -0.000 0.000 0.303 182 T C -1.507 173.211 174.700 0.030 0.000 1.656 182 T CA -0.349 61.763 62.100 0.020 0.000 0.971 182 T CB 1.157 70.062 68.868 0.062 0.000 1.811 182 T HN 0.127 nan 8.240 nan 0.000 0.483 183 T N 1.222 115.812 114.554 0.059 0.000 2.912 183 T HA 0.715 5.065 4.350 -0.000 0.000 0.299 183 T C -0.759 173.999 174.700 0.096 0.000 1.052 183 T CA -0.557 61.582 62.100 0.064 0.000 0.996 183 T CB 0.536 69.436 68.868 0.052 0.000 1.070 183 T HN 1.142 nan 8.240 nan 0.000 0.465 184 c N 1.880 120.537 118.600 0.095 0.000 3.086 184 c HA 0.855 5.425 4.570 -0.000 0.000 0.311 184 c C -0.610 173.549 174.090 0.116 0.000 1.260 184 c CA -1.575 54.831 56.329 0.128 0.000 1.426 184 c CB -0.553 42.060 42.510 0.172 0.000 1.826 184 c HN 0.885 nan 8.230 nan 0.000 0.474 185 L N -0.567 120.741 121.223 0.142 0.000 2.464 185 L HA 0.664 5.004 4.340 -0.000 0.000 0.264 185 L C -2.358 174.621 176.870 0.181 0.000 1.199 185 L CA -1.600 53.330 54.840 0.150 0.000 0.818 185 L CB -1.268 40.887 42.059 0.161 0.000 1.102 185 L HN 0.441 nan 8.230 nan 0.000 0.473 186 P HA 0.101 nan 4.420 nan 0.000 0.270 186 P C -0.296 177.142 177.300 0.230 0.000 1.227 186 P CA -0.413 62.783 63.100 0.160 0.000 0.788 186 P CB 0.326 32.101 31.700 0.125 0.000 0.926 187 M N 2.477 122.169 119.600 0.153 0.000 2.248 187 M HA 0.163 4.643 4.480 -0.000 0.000 0.345 187 M C 0.228 176.618 176.300 0.150 0.000 1.243 187 M CA 0.849 56.190 55.300 0.068 0.000 1.090 187 M CB -0.338 32.310 32.600 0.081 0.000 1.683 187 M HN 0.411 nan 8.290 nan 0.000 0.450 188 F N 1.030 121.097 119.950 0.194 0.000 2.640 188 F HA 0.670 5.197 4.527 -0.000 0.000 0.285 188 F C 1.172 177.150 175.800 0.297 0.000 1.031 188 F CA 0.205 58.341 58.000 0.227 0.000 1.240 188 F CB -0.566 38.617 39.000 0.306 0.000 1.011 188 F HN 0.680 nan 8.300 nan 0.000 0.656 189 G N 1.099 109.985 108.800 0.143 0.000 4.492 189 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.265 189 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.265 189 G C -0.948 174.336 174.900 0.641 0.000 1.702 189 G CA 0.105 45.423 45.100 0.364 0.000 1.266 189 G HN 0.703 nan 8.290 nan 0.000 0.643 190 Y N 2.529 123.197 120.300 0.613 0.000 2.373 190 Y HA 0.744 5.294 4.550 -0.000 0.000 0.336 190 Y C -0.608 175.566 175.900 0.457 0.000 0.979 190 Y CA -1.112 57.326 58.100 0.562 0.000 1.080 190 Y CB 1.766 40.463 38.460 0.394 0.000 1.190 190 Y HN 0.468 nan 8.280 nan 0.000 0.446 191 K N 5.590 125.835 120.400 -0.260 0.000 2.559 191 K HA 0.220 4.540 4.320 -0.000 0.000 0.249 191 K C -1.659 174.534 176.600 -0.678 0.000 0.958 191 K CA -0.752 55.157 56.287 -0.630 0.000 0.901 191 K CB 0.474 32.599 32.500 -0.625 0.000 1.124 191 K HN 0.936 nan 8.250 nan 0.000 0.437 192 H N 3.217 121.802 119.070 -0.808 0.000 2.819 192 H HA 0.145 4.701 4.556 0.001 0.000 0.303 192 H C 0.259 175.498 175.328 -0.148 0.000 1.058 192 H CA -0.040 55.830 56.048 -0.297 0.000 1.471 192 H CB 0.846 30.531 29.762 -0.128 0.000 1.480 192 H HN 0.346 nan 8.280 nan 0.000 0.517 193 V N 4.585 124.199 119.914 -0.499 0.000 2.599 193 V HA 0.081 4.201 4.120 -0.000 0.000 0.237 193 V C -0.016 175.826 176.094 -0.419 0.000 1.081 193 V CA 0.149 62.256 62.300 -0.321 0.000 1.107 193 V CB -0.081 31.724 31.823 -0.030 0.000 0.808 193 V HN 0.541 nan 8.190 nan 0.000 0.486 194 L N 1.727 122.686 121.223 -0.440 0.000 2.349 194 L HA 0.578 4.917 4.340 -0.000 0.000 0.278 194 L C 0.213 177.069 176.870 -0.023 0.000 0.996 194 L CA -0.183 54.543 54.840 -0.191 0.000 0.825 194 L CB 1.371 43.393 42.059 -0.061 0.000 1.243 194 L HN 0.402 nan 8.230 nan 0.000 0.412 195 T N 2.258 116.925 114.554 0.189 0.000 2.918 195 T HA 0.330 4.680 4.350 -0.000 0.000 0.302 195 T C 0.569 175.356 174.700 0.145 0.000 1.045 195 T CA -0.652 61.630 62.100 0.303 0.000 1.114 195 T CB 0.370 69.360 68.868 0.204 0.000 0.965 195 T HN 0.544 nan 8.240 nan 0.000 0.540 196 L N 2.996 124.269 121.223 0.084 0.000 2.827 196 L HA 0.115 4.455 4.340 -0.000 0.000 0.280 196 L C 1.234 178.122 176.870 0.030 0.000 1.122 196 L CA 0.075 54.936 54.840 0.034 0.000 1.044 196 L CB -0.756 41.262 42.059 -0.068 0.000 1.402 196 L HN 0.845 nan 8.230 nan 0.000 0.467 197 T N -0.141 114.439 114.554 0.044 0.000 2.929 197 T HA 0.201 4.551 4.350 -0.000 0.000 0.284 197 T C 0.787 175.498 174.700 0.017 0.000 1.014 197 T CA -0.731 61.385 62.100 0.027 0.000 1.051 197 T CB 1.282 70.166 68.868 0.027 0.000 1.028 197 T HN 0.684 nan 8.240 nan 0.000 0.485 198 D N 2.039 122.441 120.400 0.005 0.000 2.340 198 D HA -0.013 4.627 4.640 -0.000 0.000 0.220 198 D C 0.804 177.097 176.300 -0.011 0.000 1.039 198 D CA 0.313 54.309 54.000 -0.008 0.000 0.866 198 D CB -0.155 40.638 40.800 -0.011 0.000 0.913 198 D HN 0.546 nan 8.370 nan 0.000 0.523 199 Q N 0.901 120.699 119.800 -0.003 0.000 2.837 199 Q HA 0.180 4.520 4.340 -0.000 0.000 0.235 199 Q C 0.733 176.734 176.000 0.002 0.000 1.348 199 Q CA -0.287 55.512 55.803 -0.005 0.000 0.990 199 Q CB 0.440 29.176 28.738 -0.004 0.000 1.570 199 Q HN -0.026 nan 8.270 nan 0.000 0.575 200 V N 1.904 121.810 119.914 -0.013 0.000 2.370 200 V HA -0.326 3.794 4.120 -0.000 0.000 0.252 200 V C 2.248 178.350 176.094 0.013 0.000 1.068 200 V CA 2.343 64.630 62.300 -0.021 0.000 1.061 200 V CB -0.598 31.186 31.823 -0.064 0.000 0.656 200 V HN 0.800 nan 8.190 nan 0.000 0.455 201 T N -0.881 113.670 114.554 -0.005 0.000 2.737 201 T HA -0.284 4.066 4.350 -0.000 0.000 0.269 201 T C 2.042 176.740 174.700 -0.004 0.000 1.040 201 T CA 1.816 63.910 62.100 -0.010 0.000 1.142 201 T CB -0.302 68.552 68.868 -0.024 0.000 0.861 201 T HN 0.423 nan 8.240 nan 0.000 0.456 202 R N -0.977 119.524 120.500 0.001 0.000 2.235 202 R HA 0.030 4.370 4.340 -0.000 0.000 0.213 202 R C 2.062 178.339 176.300 -0.039 0.000 1.059 202 R CA 0.631 56.715 56.100 -0.028 0.000 0.997 202 R CB -0.366 29.918 30.300 -0.026 0.000 0.884 202 R HN 0.543 nan 8.270 nan 0.000 0.462 203 F N 1.881 121.746 119.950 -0.140 0.000 2.075 203 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 203 F C 1.524 177.170 175.800 -0.258 0.000 1.113 203 F CA 1.930 59.813 58.000 -0.194 0.000 1.218 203 F CB -0.222 38.681 39.000 -0.162 0.000 0.984 203 F HN 0.042 nan 8.300 nan 0.000 0.472 204 N N 0.532 119.254 118.700 0.036 0.000 2.149 204 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 204 N C 1.761 177.134 175.510 -0.229 0.000 1.019 204 N CA 1.571 54.556 53.050 -0.108 0.000 0.857 204 N CB -0.556 37.901 38.487 -0.050 0.000 0.997 204 N HN 0.553 nan 8.380 nan 0.000 0.426 205 E N 0.546 120.634 120.200 -0.186 0.000 2.031 205 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 205 E C 1.320 177.771 176.600 -0.249 0.000 0.994 205 E CA 0.951 57.242 56.400 -0.181 0.000 0.800 205 E CB 0.154 29.778 29.700 -0.127 0.000 0.752 205 E HN 0.242 nan 8.360 nan 0.000 0.447 206 E N 0.314 120.318 120.200 -0.326 0.000 2.072 206 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 206 E C 2.227 178.507 176.600 -0.533 0.000 0.982 206 E CA 0.779 56.949 56.400 -0.384 0.000 0.803 206 E CB -0.526 28.938 29.700 -0.393 0.000 0.755 206 E HN 0.227 nan 8.360 nan 0.000 0.453 207 V N 1.664 121.107 119.914 -0.785 0.000 2.469 207 V HA -0.211 3.909 4.120 -0.000 0.000 0.251 207 V C 2.215 178.025 176.094 -0.473 0.000 1.064 207 V CA 1.693 63.474 62.300 -0.865 0.000 1.066 207 V CB -0.190 31.012 31.823 -1.035 0.000 0.667 207 V HN 0.071 nan 8.190 nan 0.000 0.461 208 K N 0.164 120.350 120.400 -0.356 0.000 2.217 208 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 208 K C 2.111 178.616 176.600 -0.158 0.000 1.051 208 K CA 1.337 57.493 56.287 -0.219 0.000 0.952 208 K CB -0.172 32.218 32.500 -0.184 0.000 0.736 208 K HN 0.539 nan 8.250 nan 0.000 0.453 209 K N 0.361 120.649 120.400 -0.188 0.000 2.217 209 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 209 K C 0.821 177.348 176.600 -0.121 0.000 1.051 209 K CA 0.494 56.699 56.287 -0.137 0.000 0.952 209 K CB 0.129 32.542 32.500 -0.145 0.000 0.736 209 K HN 0.109 nan 8.250 nan 0.000 0.453 210 Q N 0.957 120.658 119.800 -0.165 0.000 2.454 210 Q HA 0.082 4.422 4.340 -0.000 0.000 0.247 210 Q C 0.003 175.977 176.000 -0.043 0.000 1.028 210 Q CA 0.373 56.109 55.803 -0.112 0.000 0.910 210 Q CB 1.441 30.097 28.738 -0.136 0.000 1.276 210 Q HN 0.173 nan 8.270 nan 0.000 0.489 211 S N -1.769 113.934 115.700 0.005 0.000 2.550 211 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 211 S C -0.255 174.412 174.600 0.112 0.000 1.145 211 S CA -0.980 57.249 58.200 0.048 0.000 0.852 211 S CB 0.807 64.035 63.200 0.047 0.000 1.119 211 S HN 0.460 nan 8.310 nan 0.000 0.465 212 V N -0.169 119.815 119.914 0.116 0.000 3.003 212 V HA 0.831 4.951 4.120 -0.000 0.000 0.305 212 V C 0.494 176.724 176.094 0.226 0.000 1.078 212 V CA -0.168 62.231 62.300 0.165 0.000 1.083 212 V CB 1.127 33.005 31.823 0.091 0.000 1.039 212 V HN 1.072 nan 8.190 nan 0.000 0.481 213 S N 1.253 117.097 115.700 0.241 0.000 2.801 213 S HA 0.717 5.187 4.470 -0.000 0.000 0.312 213 S C -0.404 174.298 174.600 0.169 0.000 1.112 213 S CA -1.042 57.281 58.200 0.204 0.000 0.943 213 S CB 1.656 64.964 63.200 0.179 0.000 1.269 213 S HN 1.074 nan 8.310 nan 0.000 0.558 214 R N 0.727 121.301 120.500 0.124 0.000 2.744 214 R HA 0.503 4.843 4.340 -0.000 0.000 0.279 214 R C -1.840 174.565 176.300 0.175 0.000 0.977 214 R CA -0.626 55.549 56.100 0.125 0.000 0.906 214 R CB 1.046 31.363 30.300 0.027 0.000 1.197 214 R HN 0.846 nan 8.270 nan 0.000 0.463 215 N N 2.862 121.690 118.700 0.213 0.000 2.295 215 N HA 0.190 4.930 4.740 -0.000 0.000 0.293 215 N C -0.145 175.531 175.510 0.276 0.000 1.040 215 N CA -0.885 52.313 53.050 0.246 0.000 0.840 215 N CB 1.945 40.524 38.487 0.155 0.000 1.468 215 N HN 0.670 nan 8.380 nan 0.000 0.478 216 R N 0.316 120.936 120.500 0.199 0.000 2.075 216 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 216 R C -0.502 175.821 176.300 0.037 0.000 1.126 216 R CA 1.148 57.222 56.100 -0.044 0.000 0.963 216 R CB -0.007 29.978 30.300 -0.525 0.000 0.858 216 R HN 0.680 nan 8.270 nan 0.000 0.435 217 D N -1.175 119.284 120.400 0.099 0.000 2.255 217 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 217 D C 0.427 176.776 176.300 0.082 0.000 1.078 217 D CA 0.277 54.354 54.000 0.129 0.000 0.896 217 D CB 1.877 42.855 40.800 0.297 0.000 1.194 217 D HN 0.213 nan 8.370 nan 0.000 0.429 218 A N 4.298 127.139 122.820 0.036 0.000 1.845 218 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 218 A C -1.467 176.073 177.584 -0.075 0.000 1.195 218 A CA 0.751 52.787 52.037 -0.001 0.000 0.616 218 A CB -1.480 17.519 19.000 -0.002 0.000 0.832 218 A HN 0.544 nan 8.150 nan 0.000 0.443 219 P HA 0.307 nan 4.420 nan 0.000 0.271 219 P C -0.403 176.597 177.300 -0.500 0.000 1.218 219 P CA 0.172 63.001 63.100 -0.453 0.000 0.780 219 P CB 0.745 31.946 31.700 -0.832 0.000 0.901 220 E N 0.089 120.110 120.200 -0.298 0.000 2.355 220 E HA 0.525 4.875 4.350 -0.000 0.000 0.261 220 E C 0.407 176.993 176.600 -0.025 0.000 0.943 220 E CA -1.079 55.298 56.400 -0.038 0.000 0.806 220 E CB 1.156 30.960 29.700 0.174 0.000 1.286 220 E HN 0.417 nan 8.360 nan 0.000 0.424 221 G N 0.017 108.936 108.800 0.197 0.000 3.782 221 G HA2 0.180 4.140 3.960 -0.000 0.000 0.288 221 G HA3 0.180 4.140 3.960 -0.000 0.000 0.288 221 G C 0.826 175.796 174.900 0.117 0.000 1.300 221 G CA 0.148 45.395 45.100 0.245 0.000 1.261 221 G HN 0.552 nan 8.290 nan 0.000 0.591 222 G N 0.873 109.606 108.800 -0.112 0.000 2.450 222 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 222 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 222 G C 1.371 176.180 174.900 -0.153 0.000 1.130 222 G CA 0.588 45.389 45.100 -0.498 0.000 0.760 222 G HN 0.380 nan 8.290 nan 0.000 0.557 223 F N 1.595 121.423 119.950 -0.203 0.000 2.293 223 F HA 0.048 4.575 4.527 0.000 0.000 0.300 223 F C 2.228 177.937 175.800 -0.151 0.000 1.086 223 F CA 0.211 58.087 58.000 -0.206 0.000 1.375 223 F CB -0.653 38.272 39.000 -0.125 0.000 1.045 223 F HN 0.108 nan 8.300 nan 0.000 0.516 224 D N 0.339 120.826 120.400 0.145 0.000 2.092 224 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 224 D C 2.432 178.547 176.300 -0.308 0.000 0.994 224 D CA 1.663 55.632 54.000 -0.051 0.000 0.828 224 D CB -0.613 40.262 40.800 0.126 0.000 0.963 224 D HN 0.166 nan 8.370 nan 0.000 0.450 225 A N 0.736 123.390 122.820 -0.277 0.000 1.883 225 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 225 A C 2.441 179.735 177.584 -0.483 0.000 1.186 225 A CA 1.188 52.892 52.037 -0.555 0.000 0.624 225 A CB -0.850 17.961 19.000 -0.315 0.000 0.822 225 A HN 0.229 nan 8.150 nan 0.000 0.444 226 I N -1.408 118.967 120.570 -0.324 0.000 2.226 226 I HA -0.285 3.884 4.170 -0.000 0.000 0.245 226 I C 2.666 178.611 176.117 -0.287 0.000 1.100 226 I CA 1.920 63.034 61.300 -0.309 0.000 1.374 226 I CB -0.274 37.462 38.000 -0.438 0.000 1.057 226 I HN 0.450 nan 8.210 nan 0.000 0.413 227 M N 0.503 119.937 119.600 -0.276 0.000 2.067 227 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 227 M C 2.240 178.394 176.300 -0.243 0.000 1.069 227 M CA 1.886 57.045 55.300 -0.235 0.000 1.117 227 M CB -0.538 31.951 32.600 -0.185 0.000 1.334 227 M HN 0.075 nan 8.290 nan 0.000 0.407 228 Q N -0.217 119.375 119.800 -0.347 0.000 2.119 228 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 228 Q C 2.219 178.089 176.000 -0.217 0.000 0.972 228 Q CA 1.730 57.357 55.803 -0.295 0.000 0.847 228 Q CB -0.806 27.706 28.738 -0.377 0.000 0.903 228 Q HN 0.692 nan 8.270 nan 0.000 0.433 229 A N 0.418 123.048 122.820 -0.317 0.000 1.972 229 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 229 A C 2.292 179.873 177.584 -0.005 0.000 1.169 229 A CA 1.881 53.795 52.037 -0.205 0.000 0.635 229 A CB -0.627 18.269 19.000 -0.173 0.000 0.810 229 A HN 0.350 nan 8.150 nan 0.000 0.446 230 T N -0.488 114.023 114.554 -0.071 0.000 2.770 230 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 230 T C 1.840 176.502 174.700 -0.064 0.000 1.039 230 T CA 1.993 64.039 62.100 -0.091 0.000 1.142 230 T CB -0.375 68.387 68.868 -0.176 0.000 0.868 230 T HN 0.656 nan 8.240 nan 0.000 0.435 231 V N -1.785 118.085 119.914 -0.073 0.000 3.644 231 V HA 0.271 4.391 4.120 -0.000 0.000 0.267 231 V C 1.240 177.308 176.094 -0.044 0.000 1.277 231 V CA -0.218 62.042 62.300 -0.066 0.000 1.096 231 V CB -0.846 30.925 31.823 -0.086 0.000 0.828 231 V HN 0.356 nan 8.190 nan 0.000 0.446 232 c N 3.687 122.264 118.600 -0.038 0.000 3.089 232 c HA 0.292 4.862 4.570 -0.000 0.000 0.548 232 c C 1.681 175.744 174.090 -0.044 0.000 1.205 232 c CA 0.098 56.398 56.329 -0.049 0.000 1.398 232 c CB -2.090 40.388 42.510 -0.054 0.000 1.764 232 c HN 0.780 nan 8.230 nan 0.000 0.638 233 D N 0.371 120.788 120.400 0.028 0.000 2.310 233 D HA -0.173 4.467 4.640 -0.000 0.000 0.212 233 D C 1.695 177.995 176.300 0.001 0.000 0.965 233 D CA 0.736 54.811 54.000 0.125 0.000 0.879 233 D CB -0.170 40.738 40.800 0.180 0.000 0.921 233 D HN 0.632 nan 8.370 nan 0.000 0.510 234 E N 0.114 120.293 120.200 -0.035 0.000 2.072 234 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 234 E C 1.827 178.365 176.600 -0.104 0.000 0.982 234 E CA 0.650 57.019 56.400 -0.052 0.000 0.803 234 E CB 0.198 29.877 29.700 -0.035 0.000 0.755 234 E HN -0.070 nan 8.360 nan 0.000 0.453 235 K N 0.403 120.709 120.400 -0.156 0.000 2.001 235 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 235 K C 2.119 178.475 176.600 -0.407 0.000 1.048 235 K CA 0.940 57.065 56.287 -0.270 0.000 0.932 235 K CB -0.276 32.027 32.500 -0.327 0.000 0.715 235 K HN 0.157 nan 8.250 nan 0.000 0.437 236 I N 0.015 120.309 120.570 -0.461 0.000 2.315 236 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 236 I C 1.177 177.017 176.117 -0.462 0.000 1.117 236 I CA 1.312 62.286 61.300 -0.544 0.000 1.404 236 I CB -0.381 37.071 38.000 -0.915 0.000 1.071 236 I HN 0.453 nan 8.210 nan 0.000 0.419 237 G N -0.272 108.302 108.800 -0.376 0.000 2.248 237 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 237 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 237 G C -0.316 174.469 174.900 -0.191 0.000 1.085 237 G CA -0.572 44.405 45.100 -0.204 0.000 0.845 237 G HN 0.256 nan 8.290 nan 0.000 0.494 238 W N 0.367 121.588 121.300 -0.131 0.000 2.223 238 W HA 0.556 5.215 4.660 -0.001 0.000 0.334 238 W C 1.347 177.811 176.519 -0.091 0.000 1.334 238 W CA -0.619 56.599 57.345 -0.212 0.000 1.246 238 W CB 0.479 29.614 29.460 -0.541 0.000 1.184 238 W HN 0.242 nan 8.180 nan 0.000 0.563 239 R N 1.773 122.432 120.500 0.264 0.000 2.583 239 R HA 0.142 4.482 4.340 -0.000 0.000 0.268 239 R C 0.857 177.325 176.300 0.279 0.000 1.101 239 R CA -0.464 55.762 56.100 0.210 0.000 1.180 239 R CB 0.507 30.900 30.300 0.154 0.000 1.128 239 R HN 0.594 nan 8.270 nan 0.000 0.568 240 N N 0.204 119.005 118.700 0.168 0.000 2.176 240 N HA -0.085 4.655 4.740 -0.000 0.000 0.187 240 N C -0.477 175.110 175.510 0.127 0.000 1.043 240 N CA 0.718 53.861 53.050 0.156 0.000 0.851 240 N CB 0.183 38.725 38.487 0.092 0.000 1.018 240 N HN 0.418 nan 8.380 nan 0.000 0.436 241 D N 0.842 121.276 120.400 0.056 0.000 2.551 241 D HA 0.478 5.118 4.640 -0.000 0.000 0.223 241 D C -0.949 175.220 176.300 -0.219 0.000 1.144 241 D CA 0.281 54.277 54.000 -0.006 0.000 1.025 241 D CB 0.325 41.108 40.800 -0.029 0.000 1.085 241 D HN 0.283 nan 8.370 nan 0.000 0.506 242 A N 0.548 123.284 122.820 -0.140 0.000 2.590 242 A HA 0.496 4.816 4.320 -0.000 0.000 0.296 242 A C -0.396 177.088 177.584 -0.166 0.000 1.050 242 A CA -0.803 51.104 52.037 -0.216 0.000 0.697 242 A CB 1.019 20.004 19.000 -0.025 0.000 1.277 242 A HN 0.090 nan 8.150 nan 0.000 0.411 243 S N 1.967 117.685 115.700 0.030 0.000 2.528 243 S HA 0.466 4.936 4.470 -0.000 0.000 0.277 243 S C -0.601 174.023 174.600 0.039 0.000 1.297 243 S CA -0.146 58.043 58.200 -0.018 0.000 1.052 243 S CB -0.063 63.282 63.200 0.241 0.000 0.917 243 S HN 0.541 nan 8.310 nan 0.000 0.492 244 H N 3.023 122.144 119.070 0.085 0.000 2.581 244 H HA 0.383 4.938 4.556 -0.001 0.000 0.308 244 H C -0.496 174.852 175.328 0.033 0.000 1.040 244 H CA -0.593 55.468 56.048 0.022 0.000 1.231 244 H CB 0.263 29.749 29.762 -0.459 0.000 1.396 244 H HN 0.381 nan 8.280 nan 0.000 0.467 245 L N 4.475 125.908 121.223 0.351 0.000 2.287 245 L HA 0.237 4.577 4.340 -0.000 0.000 0.287 245 L C -0.128 176.960 176.870 0.363 0.000 1.022 245 L CA -0.964 54.032 54.840 0.261 0.000 0.814 245 L CB 1.814 44.013 42.059 0.234 0.000 1.217 245 L HN 0.261 nan 8.230 nan 0.000 0.420 246 L N 5.342 126.702 121.223 0.228 0.000 2.360 246 L HA 0.320 4.660 4.340 -0.000 0.000 0.265 246 L C -0.244 176.714 176.870 0.146 0.000 1.066 246 L CA -0.235 54.777 54.840 0.286 0.000 0.929 246 L CB 1.177 43.337 42.059 0.168 0.000 1.306 246 L HN 0.267 nan 8.230 nan 0.000 0.434 247 V N 5.282 125.270 119.914 0.124 0.000 2.397 247 V HA 0.059 4.179 4.120 -0.000 0.000 0.262 247 V C -0.038 176.016 176.094 -0.066 0.000 1.047 247 V CA 0.035 62.314 62.300 -0.034 0.000 1.003 247 V CB -0.106 31.609 31.823 -0.180 0.000 1.037 247 V HN 0.558 nan 8.190 nan 0.000 0.480 248 F N 5.999 125.857 119.950 -0.153 0.000 2.361 248 F HA 0.567 5.094 4.527 0.000 0.000 0.364 248 F C 0.525 176.309 175.800 -0.026 0.000 1.117 248 F CA -0.489 57.467 58.000 -0.075 0.000 1.071 248 F CB 1.205 40.135 39.000 -0.117 0.000 1.188 248 F HN 0.513 nan 8.300 nan 0.000 0.464 249 T N 2.584 116.870 114.554 -0.447 0.000 2.786 249 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 249 T C -0.398 174.076 174.700 -0.376 0.000 0.992 249 T CA -0.543 61.359 62.100 -0.330 0.000 0.954 249 T CB 1.420 70.180 68.868 -0.180 0.000 0.934 249 T HN 0.728 nan 8.240 nan 0.000 0.440 250 T N 1.233 115.593 114.554 -0.323 0.000 2.868 250 T HA 0.500 4.850 4.350 -0.000 0.000 0.306 250 T C -0.899 173.758 174.700 -0.071 0.000 1.224 250 T CA -0.600 61.390 62.100 -0.185 0.000 1.012 250 T CB 1.824 70.622 68.868 -0.117 0.000 1.221 250 T HN 0.717 nan 8.240 nan 0.000 0.499 251 D N 0.932 121.331 120.400 -0.002 0.000 2.479 251 D HA 0.488 5.128 4.640 -0.000 0.000 0.218 251 D C 0.254 176.608 176.300 0.090 0.000 1.177 251 D CA -0.262 53.764 54.000 0.044 0.000 0.830 251 D CB 0.321 41.140 40.800 0.032 0.000 1.014 251 D HN 0.622 nan 8.370 nan 0.000 0.503 252 A N 0.043 122.942 122.820 0.131 0.000 2.435 252 A HA 0.632 4.952 4.320 -0.000 0.000 0.296 252 A C -0.100 177.611 177.584 0.212 0.000 1.147 252 A CA -0.865 51.253 52.037 0.134 0.000 0.775 252 A CB 1.536 20.588 19.000 0.087 0.000 1.340 252 A HN -0.033 nan 8.150 nan 0.000 0.427 253 K N -0.390 120.065 120.400 0.091 0.000 2.188 253 K HA 0.399 4.719 4.320 -0.000 0.000 0.246 253 K C 0.010 176.594 176.600 -0.026 0.000 1.026 253 K CA 0.621 56.914 56.287 0.011 0.000 0.871 253 K CB 0.281 32.738 32.500 -0.072 0.000 1.042 253 K HN 0.641 nan 8.250 nan 0.000 0.509 254 T N 0.320 114.766 114.554 -0.180 0.000 2.916 254 T HA 0.183 4.533 4.350 -0.000 0.000 0.298 254 T C -1.087 173.271 174.700 -0.571 0.000 1.031 254 T CA -0.874 60.998 62.100 -0.379 0.000 0.993 254 T CB 0.439 68.996 68.868 -0.519 0.000 1.045 254 T HN 0.402 nan 8.240 nan 0.000 0.454 255 H N 3.581 122.286 119.070 -0.607 0.000 2.852 255 H HA 0.409 4.965 4.556 -0.000 0.000 0.362 255 H C 0.638 175.444 175.328 -0.869 0.000 1.122 255 H CA 0.279 55.852 56.048 -0.791 0.000 1.419 255 H CB 0.518 29.479 29.762 -1.336 0.000 1.401 255 H HN 0.696 nan 8.280 nan 0.000 0.609 256 I N -1.326 119.030 120.570 -0.357 0.000 3.108 256 I HA 0.684 4.854 4.170 -0.000 0.000 0.312 256 I C -0.056 176.110 176.117 0.083 0.000 1.095 256 I CA -1.573 59.668 61.300 -0.098 0.000 1.000 256 I CB 1.727 39.727 38.000 -0.000 0.000 1.229 256 I HN 0.476 nan 8.210 nan 0.000 0.454 257 A N 2.837 125.772 122.820 0.191 0.000 2.498 257 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 257 A C 0.776 178.459 177.584 0.164 0.000 1.068 257 A CA 0.240 52.407 52.037 0.217 0.000 0.766 257 A CB -0.249 18.846 19.000 0.158 0.000 1.003 257 A HN 1.106 nan 8.150 nan 0.000 0.497 258 L N -0.222 121.102 121.223 0.169 0.000 3.803 258 L HA -0.281 4.059 4.340 -0.000 0.000 0.407 258 L C 1.088 178.042 176.870 0.139 0.000 0.735 258 L CA 1.034 55.950 54.840 0.126 0.000 2.621 258 L CB -1.544 40.570 42.059 0.092 0.000 1.075 258 L HN 0.713 nan 8.230 nan 0.000 0.644 259 D N 0.795 121.302 120.400 0.179 0.000 2.123 259 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 259 D C 1.975 178.406 176.300 0.219 0.000 0.992 259 D CA 1.702 55.804 54.000 0.171 0.000 0.833 259 D CB -0.295 40.562 40.800 0.094 0.000 0.954 259 D HN 0.583 nan 8.370 nan 0.000 0.455 260 G N 0.604 109.574 108.800 0.284 0.000 2.516 260 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.221 260 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.221 260 G C 1.592 176.553 174.900 0.101 0.000 1.107 260 G CA 0.685 45.895 45.100 0.184 0.000 0.747 260 G HN 0.255 nan 8.290 nan 0.000 0.567 261 R N -0.563 119.987 120.500 0.084 0.000 2.081 261 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 261 R C 2.363 178.675 176.300 0.020 0.000 1.131 261 R CA 1.024 57.150 56.100 0.043 0.000 0.960 261 R CB -0.309 30.017 30.300 0.042 0.000 0.856 261 R HN 0.330 nan 8.270 nan 0.000 0.436 262 L N 0.599 121.836 121.223 0.024 0.000 2.043 262 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 262 L C 2.393 179.212 176.870 -0.086 0.000 1.075 262 L CA 2.058 56.882 54.840 -0.027 0.000 0.752 262 L CB -0.625 41.418 42.059 -0.027 0.000 0.891 262 L HN 0.275 nan 8.230 nan 0.000 0.432 263 A N -0.989 121.776 122.820 -0.091 0.000 2.239 263 A HA 0.290 4.610 4.320 -0.000 0.000 0.209 263 A C 1.832 179.379 177.584 -0.061 0.000 1.171 263 A CA 0.827 52.786 52.037 -0.130 0.000 0.768 263 A CB -0.890 18.072 19.000 -0.064 0.000 0.790 263 A HN 0.584 nan 8.150 nan 0.000 0.478 264 G N -0.965 107.814 108.800 -0.035 0.000 2.143 264 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 264 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 264 G C 0.010 174.899 174.900 -0.018 0.000 0.991 264 G CA 0.211 45.297 45.100 -0.024 0.000 0.689 264 G HN 0.397 nan 8.290 nan 0.000 0.522 265 I N 1.327 121.891 120.570 -0.010 0.000 2.256 265 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 265 I C 1.148 177.261 176.117 -0.006 0.000 1.127 265 I CA -0.100 61.189 61.300 -0.018 0.000 1.247 265 I CB 0.913 38.892 38.000 -0.035 0.000 1.460 265 I HN -0.023 nan 8.210 nan 0.000 0.511 266 V N 6.241 126.151 119.914 -0.006 0.000 3.376 266 V HA 0.146 4.266 4.120 -0.000 0.000 0.313 266 V C 0.713 176.810 176.094 0.005 0.000 1.393 266 V CA 0.041 62.344 62.300 0.005 0.000 1.125 266 V CB 0.202 32.027 31.823 0.004 0.000 1.037 266 V HN 0.789 nan 8.190 nan 0.000 0.440 267 Q N 2.732 122.529 119.800 -0.004 0.000 2.290 267 Q HA 0.433 4.773 4.340 -0.000 0.000 0.259 267 Q C -2.565 173.441 176.000 0.009 0.000 0.941 267 Q CA -2.157 53.645 55.803 -0.001 0.000 0.912 267 Q CB 2.006 30.734 28.738 -0.017 0.000 1.244 267 Q HN 0.261 nan 8.270 nan 0.000 0.441 268 P HA 0.023 nan 4.420 nan 0.000 0.274 268 P C -1.002 176.326 177.300 0.046 0.000 1.231 268 P CA -0.176 62.946 63.100 0.037 0.000 0.790 268 P CB 0.566 32.288 31.700 0.036 0.000 0.951 269 N N 1.135 119.872 118.700 0.062 0.000 2.440 269 N HA -0.057 4.683 4.740 -0.000 0.000 0.265 269 N C 1.064 176.624 175.510 0.084 0.000 1.239 269 N CA -0.081 53.020 53.050 0.085 0.000 0.909 269 N CB 0.257 38.797 38.487 0.089 0.000 1.066 269 N HN 0.330 nan 8.380 nan 0.000 0.474 270 D N 2.751 123.223 120.400 0.120 0.000 2.323 270 D HA 0.071 4.711 4.640 -0.000 0.000 0.209 270 D C 1.331 177.684 176.300 0.089 0.000 0.973 270 D CA 0.930 54.998 54.000 0.113 0.000 0.874 270 D CB -0.227 40.669 40.800 0.161 0.000 0.930 270 D HN 0.714 nan 8.370 nan 0.000 0.521 271 G N -0.566 108.288 108.800 0.090 0.000 2.241 271 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 271 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 271 G C 0.293 175.190 174.900 -0.004 0.000 0.998 271 G CA 0.186 45.302 45.100 0.028 0.000 0.621 271 G HN 0.385 nan 8.290 nan 0.000 0.519 272 Q N 0.127 119.929 119.800 0.004 0.000 2.471 272 Q HA 0.474 4.814 4.340 -0.000 0.000 0.223 272 Q C 0.879 176.675 176.000 -0.339 0.000 1.045 272 Q CA -0.262 55.448 55.803 -0.156 0.000 0.956 272 Q CB 0.715 29.341 28.738 -0.185 0.000 1.249 272 Q HN 0.613 nan 8.270 nan 0.000 0.549 273 c N 2.132 120.518 118.600 -0.357 0.000 2.536 273 c HA 0.264 4.834 4.570 -0.000 0.000 0.396 273 c C 0.125 173.923 174.090 -0.486 0.000 1.279 273 c CA -0.112 56.048 56.329 -0.282 0.000 2.148 273 c CB -0.667 41.764 42.510 -0.131 0.000 2.584 273 c HN 0.708 nan 8.230 nan 0.000 0.579 274 H N 3.792 122.984 119.070 0.204 0.000 2.924 274 H HA 0.253 4.810 4.556 0.000 0.000 0.229 274 H C -0.825 174.676 175.328 0.289 0.000 1.345 274 H CA -0.057 56.138 56.048 0.244 0.000 1.044 274 H CB 0.299 30.244 29.762 0.304 0.000 2.221 274 H HN 0.449 nan 8.280 nan 0.000 0.574 275 V N 1.361 121.442 119.914 0.277 0.000 2.293 275 V HA 0.424 4.544 4.120 -0.000 0.000 0.275 275 V C 1.061 177.234 176.094 0.131 0.000 1.021 275 V CA -0.507 61.933 62.300 0.234 0.000 0.815 275 V CB 1.242 33.188 31.823 0.205 0.000 1.025 275 V HN 0.534 nan 8.190 nan 0.000 0.448 276 G N 3.052 111.933 108.800 0.134 0.000 2.546 276 G HA2 0.258 4.218 3.960 -0.000 0.000 0.239 276 G HA3 0.258 4.218 3.960 -0.000 0.000 0.239 276 G C 1.314 176.257 174.900 0.073 0.000 1.476 276 G CA 0.431 45.586 45.100 0.092 0.000 1.064 276 G HN 0.739 nan 8.290 nan 0.000 0.561 277 S N 0.045 115.783 115.700 0.063 0.000 2.419 277 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 277 S C 1.572 176.213 174.600 0.068 0.000 1.016 277 S CA 1.833 60.066 58.200 0.054 0.000 0.974 277 S CB -0.294 62.933 63.200 0.044 0.000 0.786 277 S HN 0.659 nan 8.310 nan 0.000 0.492 278 D N 1.105 121.561 120.400 0.093 0.000 2.363 278 D HA -0.030 4.610 4.640 -0.000 0.000 0.226 278 D C -0.007 176.382 176.300 0.148 0.000 1.020 278 D CA 0.208 54.289 54.000 0.134 0.000 0.892 278 D CB -0.959 39.938 40.800 0.161 0.000 0.900 278 D HN 0.270 nan 8.370 nan 0.000 0.531 279 N N 0.288 119.040 118.700 0.086 0.000 2.714 279 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 279 N C -1.010 174.412 175.510 -0.147 0.000 1.117 279 N CA 0.721 53.773 53.050 0.004 0.000 0.719 279 N CB -1.866 36.618 38.487 -0.005 0.000 1.081 279 N HN 0.586 nan 8.380 nan 0.000 0.557 280 H N -0.582 118.523 119.070 0.058 0.000 2.572 280 H HA 0.170 4.726 4.556 -0.000 0.000 0.359 280 H C -0.501 174.957 175.328 0.218 0.000 1.134 280 H CA -0.582 55.524 56.048 0.097 0.000 1.187 280 H CB 0.981 30.804 29.762 0.102 0.000 1.597 280 H HN 0.065 nan 8.280 nan 0.000 0.524 281 Y N 3.290 123.768 120.300 0.297 0.000 2.644 281 Y HA -0.058 4.492 4.550 -0.000 0.000 0.354 281 Y C 1.229 177.273 175.900 0.240 0.000 1.166 281 Y CA -0.661 57.631 58.100 0.321 0.000 1.591 281 Y CB -0.002 38.718 38.460 0.434 0.000 1.346 281 Y HN 0.538 nan 8.280 nan 0.000 0.497 282 S N 3.114 118.843 115.700 0.048 0.000 2.474 282 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 282 S C 1.920 176.314 174.600 -0.343 0.000 0.997 282 S CA 0.530 58.674 58.200 -0.094 0.000 0.949 282 S CB -0.289 62.921 63.200 0.016 0.000 0.766 282 S HN 0.692 nan 8.310 nan 0.000 0.517 283 A N 1.421 123.812 122.820 -0.714 0.000 2.119 283 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 283 A C 2.220 179.322 177.584 -0.803 0.000 1.152 283 A CA 1.031 52.613 52.037 -0.759 0.000 0.708 283 A CB -1.068 17.546 19.000 -0.643 0.000 0.805 283 A HN 0.535 nan 8.150 nan 0.000 0.460 284 S N 0.506 115.540 115.700 -1.110 0.000 2.390 284 S HA -0.254 4.216 4.470 -0.000 0.000 0.234 284 S C 1.996 176.482 174.600 -0.190 0.000 1.063 284 S CA 2.817 60.759 58.200 -0.429 0.000 1.108 284 S CB -0.606 62.547 63.200 -0.077 0.000 0.975 284 S HN 0.870 nan 8.310 nan 0.000 0.442 285 T N -1.995 112.463 114.554 -0.159 0.000 3.144 285 T HA 0.219 4.569 4.350 -0.000 0.000 0.249 285 T C 1.133 175.776 174.700 -0.094 0.000 1.089 285 T CA 0.981 63.032 62.100 -0.080 0.000 0.989 285 T CB 0.049 68.891 68.868 -0.043 0.000 0.992 285 T HN 0.590 nan 8.240 nan 0.000 0.540 286 T N -2.324 112.147 114.554 -0.139 0.000 2.993 286 T HA 0.452 4.802 4.350 -0.000 0.000 0.260 286 T C 0.070 174.704 174.700 -0.109 0.000 0.939 286 T CA -0.559 61.472 62.100 -0.114 0.000 0.886 286 T CB -0.041 68.754 68.868 -0.122 0.000 1.209 286 T HN 0.348 nan 8.240 nan 0.000 0.518 287 M N 2.380 121.903 119.600 -0.129 0.000 2.456 287 M HA 0.566 5.046 4.480 -0.000 0.000 0.324 287 M C -1.317 174.933 176.300 -0.083 0.000 1.124 287 M CA -0.671 54.583 55.300 -0.077 0.000 0.959 287 M CB 1.946 34.517 32.600 -0.048 0.000 1.692 287 M HN -0.037 nan 8.290 nan 0.000 0.444 288 D N 1.909 122.276 120.400 -0.054 0.000 2.358 288 D HA 0.131 4.771 4.640 -0.000 0.000 0.244 288 D C -1.158 175.108 176.300 -0.058 0.000 1.163 288 D CA 0.330 54.277 54.000 -0.089 0.000 0.945 288 D CB 0.529 41.339 40.800 0.015 0.000 1.152 288 D HN 0.447 nan 8.370 nan 0.000 0.451 289 Y N 1.000 121.355 120.300 0.092 0.000 2.702 289 Y HA 0.142 4.692 4.550 -0.000 0.000 0.336 289 Y C -1.274 174.687 175.900 0.102 0.000 1.235 289 Y CA -1.116 57.050 58.100 0.109 0.000 1.492 289 Y CB -0.081 38.439 38.460 0.100 0.000 1.308 289 Y HN 0.233 nan 8.280 nan 0.000 0.589 290 P HA 0.054 nan 4.420 nan 0.000 0.275 290 P C -0.729 176.631 177.300 0.100 0.000 1.228 290 P CA -0.480 62.690 63.100 0.117 0.000 0.786 290 P CB 1.168 32.887 31.700 0.031 0.000 0.927 291 S N 2.034 117.760 115.700 0.043 0.000 2.601 291 S HA 0.215 4.685 4.470 -0.000 0.000 0.271 291 S C 1.650 176.205 174.600 -0.074 0.000 1.305 291 S CA -0.774 57.436 58.200 0.017 0.000 1.022 291 S CB 0.215 63.431 63.200 0.027 0.000 0.940 291 S HN 0.347 nan 8.310 nan 0.000 0.525 292 L N 1.748 122.914 121.223 -0.095 0.000 2.043 292 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 292 L C 2.830 179.634 176.870 -0.111 0.000 1.075 292 L CA 1.696 56.443 54.840 -0.155 0.000 0.752 292 L CB -1.436 40.573 42.059 -0.083 0.000 0.891 292 L HN 0.994 nan 8.230 nan 0.000 0.432 293 G N 0.088 108.852 108.800 -0.060 0.000 2.440 293 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 293 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 293 G C 1.580 176.444 174.900 -0.060 0.000 1.154 293 G CA 0.764 45.836 45.100 -0.048 0.000 0.767 293 G HN 0.223 nan 8.290 nan 0.000 0.552 294 L N 0.216 121.403 121.223 -0.060 0.000 2.072 294 L HA 0.198 4.538 4.340 -0.000 0.000 0.205 294 L C 2.892 179.701 176.870 -0.100 0.000 1.079 294 L CA 1.410 56.214 54.840 -0.061 0.000 0.752 294 L CB -0.312 41.725 42.059 -0.037 0.000 0.906 294 L HN 0.223 nan 8.230 nan 0.000 0.436 295 M N -1.549 117.961 119.600 -0.150 0.000 2.108 295 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 295 M C 2.048 178.240 176.300 -0.179 0.000 1.066 295 M CA 2.191 57.365 55.300 -0.211 0.000 1.107 295 M CB -0.680 31.713 32.600 -0.345 0.000 1.356 295 M HN 0.228 nan 8.290 nan 0.000 0.406 296 T N 0.489 114.957 114.554 -0.144 0.000 2.708 296 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 296 T C 1.562 176.202 174.700 -0.100 0.000 1.037 296 T CA 1.865 63.896 62.100 -0.115 0.000 1.146 296 T CB -0.366 68.451 68.868 -0.084 0.000 0.865 296 T HN 0.634 nan 8.240 nan 0.000 0.435 297 E N 0.605 120.754 120.200 -0.084 0.000 2.274 297 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 297 E C 1.999 178.551 176.600 -0.079 0.000 0.996 297 E CA 0.809 57.168 56.400 -0.070 0.000 0.840 297 E CB 0.024 29.694 29.700 -0.051 0.000 0.772 297 E HN 0.178 nan 8.360 nan 0.000 0.491 298 K N 0.744 121.086 120.400 -0.097 0.000 2.166 298 K HA 0.097 4.417 4.320 -0.000 0.000 0.201 298 K C 2.239 178.757 176.600 -0.136 0.000 1.052 298 K CA 0.455 56.677 56.287 -0.108 0.000 0.969 298 K CB -0.203 32.230 32.500 -0.111 0.000 0.761 298 K HN 0.243 nan 8.250 nan 0.000 0.459 299 L N 0.965 122.095 121.223 -0.156 0.000 2.042 299 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 299 L C 2.659 179.444 176.870 -0.143 0.000 1.076 299 L CA 1.354 56.088 54.840 -0.176 0.000 0.749 299 L CB -0.528 41.422 42.059 -0.183 0.000 0.893 299 L HN 0.159 nan 8.230 nan 0.000 0.432 300 S N -0.821 114.812 115.700 -0.111 0.000 2.368 300 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 300 S C 1.958 176.515 174.600 -0.071 0.000 1.029 300 S CA 1.315 59.465 58.200 -0.084 0.000 0.988 300 S CB -0.037 63.120 63.200 -0.072 0.000 0.838 300 S HN 0.424 nan 8.310 nan 0.000 0.462 301 Q N -0.231 119.525 119.800 -0.074 0.000 2.167 301 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 301 Q C 1.146 177.108 176.000 -0.065 0.000 0.970 301 Q CA 0.923 56.691 55.803 -0.058 0.000 0.855 301 Q CB 0.118 28.824 28.738 -0.054 0.000 0.911 301 Q HN 0.239 nan 8.270 nan 0.000 0.438 302 K N 0.321 120.657 120.400 -0.106 0.000 2.397 302 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 302 K C -0.557 175.962 176.600 -0.135 0.000 1.022 302 K CA -0.037 56.165 56.287 -0.142 0.000 1.141 302 K CB -0.055 32.309 32.500 -0.227 0.000 0.857 302 K HN 0.261 nan 8.250 nan 0.000 0.514 303 N N 1.449 120.100 118.700 -0.082 0.000 2.714 303 N HA -0.182 4.558 4.740 -0.000 0.000 0.252 303 N C -0.879 174.588 175.510 -0.071 0.000 1.014 303 N CA 0.135 53.160 53.050 -0.042 0.000 0.735 303 N CB -0.633 37.861 38.487 0.012 0.000 0.924 303 N HN 0.126 nan 8.380 nan 0.000 0.540 304 I N 1.058 121.505 120.570 -0.205 0.000 2.359 304 I HA 0.154 4.324 4.170 -0.000 0.000 0.294 304 I C 0.426 176.429 176.117 -0.190 0.000 0.987 304 I CA -0.283 60.826 61.300 -0.318 0.000 1.225 304 I CB 1.275 38.988 38.000 -0.477 0.000 1.366 304 I HN 0.105 nan 8.210 nan 0.000 0.466 305 N N 5.544 124.168 118.700 -0.127 0.000 2.500 305 N HA 0.244 4.984 4.740 -0.000 0.000 0.236 305 N C -0.460 174.994 175.510 -0.092 0.000 1.022 305 N CA -0.543 52.460 53.050 -0.079 0.000 0.935 305 N CB 0.895 39.375 38.487 -0.011 0.000 1.147 305 N HN 0.355 nan 8.380 nan 0.000 0.512 306 L N 4.310 125.431 121.223 -0.169 0.000 2.433 306 L HA 0.310 4.649 4.340 -0.000 0.000 0.275 306 L C -0.764 175.948 176.870 -0.264 0.000 1.128 306 L CA 0.258 54.936 54.840 -0.270 0.000 0.875 306 L CB -0.054 41.736 42.059 -0.449 0.000 1.171 306 L HN 0.489 nan 8.230 nan 0.000 0.463 307 I N 6.145 126.609 120.570 -0.176 0.000 2.330 307 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 307 I C -0.685 175.394 176.117 -0.062 0.000 1.001 307 I CA -0.446 60.809 61.300 -0.075 0.000 1.193 307 I CB 0.673 38.686 38.000 0.022 0.000 1.345 307 I HN 0.419 nan 8.210 nan 0.000 0.461 308 F N 5.429 125.451 119.950 0.119 0.000 2.509 308 F HA 0.286 4.814 4.527 0.000 0.000 0.350 308 F C 0.971 176.808 175.800 0.062 0.000 1.220 308 F CA -0.493 57.590 58.000 0.139 0.000 1.151 308 F CB 0.578 39.666 39.000 0.148 0.000 1.379 308 F HN 0.471 nan 8.300 nan 0.000 0.610 309 A N 4.589 127.517 122.820 0.179 0.000 2.923 309 A HA 0.558 4.878 4.320 -0.000 0.000 0.306 309 A C -0.149 177.448 177.584 0.022 0.000 1.542 309 A CA -0.418 51.664 52.037 0.076 0.000 1.225 309 A CB -0.661 18.342 19.000 0.006 0.000 1.147 309 A HN 0.537 nan 8.150 nan 0.000 0.542 310 V N 0.357 120.294 119.914 0.038 0.000 2.881 310 V HA 0.871 4.991 4.120 -0.000 0.000 0.316 310 V C 0.264 176.386 176.094 0.045 0.000 1.070 310 V CA -0.235 62.055 62.300 -0.016 0.000 0.976 310 V CB 1.248 33.021 31.823 -0.084 0.000 1.038 310 V HN 0.738 nan 8.190 nan 0.000 0.446 311 T N -0.912 113.673 114.554 0.052 0.000 2.904 311 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 311 T C 0.830 175.576 174.700 0.078 0.000 1.018 311 T CA 0.471 62.609 62.100 0.063 0.000 1.075 311 T CB 1.429 70.331 68.868 0.056 0.000 0.986 311 T HN 0.960 nan 8.240 nan 0.000 0.523 312 E N 2.167 122.406 120.200 0.065 0.000 2.086 312 E HA -0.299 4.051 4.350 -0.000 0.000 0.200 312 E C 1.828 178.464 176.600 0.059 0.000 1.012 312 E CA 2.473 58.909 56.400 0.060 0.000 0.812 312 E CB -0.841 28.889 29.700 0.048 0.000 0.743 312 E HN 0.939 nan 8.360 nan 0.000 0.453 313 N N -0.989 117.745 118.700 0.057 0.000 2.258 313 N HA -0.170 4.570 4.740 -0.000 0.000 0.187 313 N C 1.362 176.908 175.510 0.060 0.000 1.012 313 N CA 1.431 54.511 53.050 0.051 0.000 0.870 313 N CB -0.118 38.398 38.487 0.049 0.000 0.977 313 N HN 0.134 nan 8.380 nan 0.000 0.434 314 V N -0.388 119.584 119.914 0.097 0.000 3.166 314 V HA 0.241 4.361 4.120 -0.000 0.000 0.332 314 V C 1.110 177.319 176.094 0.191 0.000 1.434 314 V CA -0.266 62.116 62.300 0.135 0.000 1.121 314 V CB 0.315 32.271 31.823 0.222 0.000 1.062 314 V HN 0.310 nan 8.190 nan 0.000 0.489 315 V N 1.106 121.098 119.914 0.130 0.000 2.379 315 V HA -0.135 3.984 4.120 -0.000 0.000 0.245 315 V C 2.206 178.346 176.094 0.077 0.000 1.044 315 V CA 2.602 64.981 62.300 0.132 0.000 1.036 315 V CB -0.223 31.654 31.823 0.091 0.000 0.664 315 V HN 0.724 nan 8.190 nan 0.000 0.453 316 N N 0.482 119.194 118.700 0.019 0.000 2.094 316 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 316 N C 1.631 177.073 175.510 -0.114 0.000 1.023 316 N CA 1.945 54.972 53.050 -0.037 0.000 0.857 316 N CB -0.827 37.631 38.487 -0.049 0.000 1.013 316 N HN 0.476 nan 8.380 nan 0.000 0.426 317 L N 0.360 121.490 121.223 -0.156 0.000 1.971 317 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 317 L C 1.711 178.298 176.870 -0.471 0.000 1.072 317 L CA 1.735 56.348 54.840 -0.378 0.000 0.758 317 L CB -1.132 40.692 42.059 -0.392 0.000 0.889 317 L HN 0.183 nan 8.230 nan 0.000 0.433 318 Y N -0.808 119.399 120.300 -0.154 0.000 2.509 318 Y HA -0.151 4.399 4.550 -0.000 0.000 0.293 318 Y C 2.725 178.483 175.900 -0.238 0.000 1.133 318 Y CA 1.183 59.128 58.100 -0.259 0.000 1.283 318 Y CB -0.248 37.969 38.460 -0.405 0.000 1.001 318 Y HN 0.409 nan 8.280 nan 0.000 0.555 319 Q N 0.486 120.282 119.800 -0.008 0.000 2.079 319 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 319 Q C 1.597 177.577 176.000 -0.032 0.000 0.974 319 Q CA 1.872 57.682 55.803 0.011 0.000 0.840 319 Q CB -0.104 28.640 28.738 0.011 0.000 0.898 319 Q HN 0.599 nan 8.270 nan 0.000 0.430 320 N N -1.269 117.349 118.700 -0.137 0.000 2.188 320 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 320 N C 1.310 176.751 175.510 -0.115 0.000 1.018 320 N CA 0.979 53.927 53.050 -0.171 0.000 0.858 320 N CB -0.063 38.242 38.487 -0.305 0.000 0.989 320 N HN 0.204 nan 8.380 nan 0.000 0.426 321 Y N 1.147 121.388 120.300 -0.098 0.000 2.163 321 Y HA -0.123 4.427 4.550 0.000 0.000 0.288 321 Y C 2.909 178.821 175.900 0.021 0.000 1.136 321 Y CA 0.562 58.623 58.100 -0.065 0.000 1.147 321 Y CB -1.008 37.376 38.460 -0.128 0.000 0.987 321 Y HN 0.004 nan 8.280 nan 0.000 0.509 322 S N -0.110 115.716 115.700 0.210 0.000 2.374 322 S HA -0.305 4.165 4.470 -0.000 0.000 0.227 322 S C 2.062 176.762 174.600 0.166 0.000 1.037 322 S CA 1.840 60.218 58.200 0.297 0.000 1.024 322 S CB -0.369 63.015 63.200 0.307 0.000 0.861 322 S HN 0.618 nan 8.310 nan 0.000 0.456 323 E N -0.241 120.019 120.200 0.100 0.000 2.268 323 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 323 E C 1.596 178.225 176.600 0.048 0.000 0.995 323 E CA 0.773 57.206 56.400 0.055 0.000 0.836 323 E CB -0.066 29.648 29.700 0.022 0.000 0.763 323 E HN 0.572 nan 8.360 nan 0.000 0.491 324 L N 0.457 121.723 121.223 0.072 0.000 2.592 324 L HA 0.173 4.513 4.340 -0.000 0.000 0.227 324 L C 0.415 177.312 176.870 0.044 0.000 1.127 324 L CA 0.108 54.983 54.840 0.059 0.000 0.884 324 L CB 0.463 42.576 42.059 0.089 0.000 1.065 324 L HN 0.089 nan 8.230 nan 0.000 0.457 325 I N 1.009 121.616 120.570 0.060 0.000 2.833 325 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 325 I C -2.262 173.868 176.117 0.021 0.000 1.287 325 I CA -1.763 59.552 61.300 0.025 0.000 1.046 325 I CB 0.800 38.819 38.000 0.032 0.000 1.612 325 I HN -0.170 nan 8.210 nan 0.000 0.585 326 P HA 0.009 nan 4.420 nan 0.000 0.264 326 P C 1.064 178.354 177.300 -0.017 0.000 1.179 326 P CA 1.119 64.216 63.100 -0.005 0.000 0.763 326 P CB 0.873 32.558 31.700 -0.025 0.000 0.806 327 G N 1.594 110.389 108.800 -0.008 0.000 2.258 327 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.233 327 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.233 327 G C 0.284 175.181 174.900 -0.005 0.000 1.006 327 G CA 0.153 45.243 45.100 -0.017 0.000 0.620 327 G HN 0.659 nan 8.290 nan 0.000 0.511 328 T N 2.605 117.167 114.554 0.013 0.000 2.930 328 T HA 0.508 4.858 4.350 -0.000 0.000 0.306 328 T C 0.506 175.261 174.700 0.093 0.000 1.045 328 T CA 1.029 63.145 62.100 0.027 0.000 1.134 328 T CB 1.324 70.243 68.868 0.085 0.000 0.961 328 T HN 0.368 nan 8.240 nan 0.000 0.545 329 T N 2.009 116.615 114.554 0.087 0.000 2.945 329 T HA 0.658 5.008 4.350 -0.000 0.000 0.286 329 T C -0.688 174.149 174.700 0.227 0.000 1.025 329 T CA -0.692 61.485 62.100 0.128 0.000 1.039 329 T CB 1.810 70.729 68.868 0.086 0.000 1.068 329 T HN 0.464 nan 8.240 nan 0.000 0.497 330 V N 0.675 120.720 119.914 0.219 0.000 2.808 330 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 330 V C -0.576 175.620 176.094 0.169 0.000 1.099 330 V CA -0.125 62.333 62.300 0.263 0.000 0.920 330 V CB 1.702 33.696 31.823 0.286 0.000 1.014 330 V HN 1.138 nan 8.190 nan 0.000 0.425 331 G N 3.311 112.205 108.800 0.157 0.000 2.619 331 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 331 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 331 G C -1.283 173.678 174.900 0.102 0.000 1.334 331 G CA -0.570 44.599 45.100 0.114 0.000 0.934 331 G HN 1.081 nan 8.290 nan 0.000 0.476 332 V N 1.906 121.871 119.914 0.085 0.000 2.439 332 V HA 0.444 4.564 4.120 -0.000 0.000 0.271 332 V C -0.022 176.114 176.094 0.071 0.000 1.040 332 V CA -0.452 61.893 62.300 0.075 0.000 1.002 332 V CB 0.500 32.363 31.823 0.066 0.000 1.000 332 V HN 0.635 nan 8.190 nan 0.000 0.477 333 L N 6.437 127.700 121.223 0.066 0.000 2.379 333 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 333 L C 0.640 177.546 176.870 0.060 0.000 1.084 333 L CA 0.819 55.697 54.840 0.063 0.000 0.802 333 L CB 1.821 43.912 42.059 0.052 0.000 1.175 333 L HN 0.791 nan 8.230 nan 0.000 0.448 334 S N 3.461 119.198 115.700 0.063 0.000 2.608 334 S HA 0.125 4.595 4.470 -0.000 0.000 0.261 334 S C 1.341 175.974 174.600 0.054 0.000 1.314 334 S CA -0.424 57.810 58.200 0.058 0.000 0.992 334 S CB 0.559 63.794 63.200 0.060 0.000 0.935 334 S HN 0.690 nan 8.310 nan 0.000 0.564 335 M N 1.574 121.203 119.600 0.049 0.000 2.279 335 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 335 M C 1.012 177.339 176.300 0.045 0.000 1.062 335 M CA 1.352 56.678 55.300 0.043 0.000 1.099 335 M CB -1.179 31.444 32.600 0.038 0.000 1.394 335 M HN 0.854 nan 8.290 nan 0.000 0.426 336 D N -1.949 118.484 120.400 0.055 0.000 2.535 336 D HA 0.116 4.756 4.640 -0.000 0.000 0.229 336 D C -0.252 176.094 176.300 0.078 0.000 1.238 336 D CA 0.071 54.111 54.000 0.066 0.000 0.824 336 D CB 0.179 41.023 40.800 0.074 0.000 1.045 336 D HN 0.092 nan 8.370 nan 0.000 0.500 337 S N -0.090 115.658 115.700 0.079 0.000 3.587 337 S HA -0.216 4.254 4.470 -0.000 0.000 0.337 337 S C 1.458 176.109 174.600 0.085 0.000 1.119 337 S CA 0.781 59.039 58.200 0.097 0.000 0.976 337 S CB -2.011 61.269 63.200 0.133 0.000 0.922 337 S HN 0.523 nan 8.310 nan 0.000 0.503 338 S N 1.852 117.593 115.700 0.069 0.000 2.382 338 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 338 S C 1.560 176.194 174.600 0.056 0.000 1.027 338 S CA 1.216 59.450 58.200 0.056 0.000 0.991 338 S CB -0.368 62.864 63.200 0.052 0.000 0.823 338 S HN 0.964 nan 8.310 nan 0.000 0.469 339 N N 1.514 120.253 118.700 0.065 0.000 2.276 339 N HA 0.102 4.842 4.740 -0.000 0.000 0.212 339 N C 0.994 176.551 175.510 0.078 0.000 1.127 339 N CA -0.023 53.066 53.050 0.064 0.000 0.834 339 N CB -0.431 38.093 38.487 0.062 0.000 1.014 339 N HN 0.288 nan 8.380 nan 0.000 0.491 340 V N 0.985 120.958 119.914 0.098 0.000 2.261 340 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 340 V C 2.355 178.516 176.094 0.112 0.000 1.047 340 V CA 1.569 63.949 62.300 0.134 0.000 1.015 340 V CB -0.697 31.261 31.823 0.226 0.000 0.642 340 V HN 0.262 nan 8.190 nan 0.000 0.446 341 L N 0.380 121.652 121.223 0.083 0.000 2.017 341 L HA -0.322 4.018 4.340 -0.000 0.000 0.234 341 L C 2.338 179.241 176.870 0.055 0.000 1.097 341 L CA 2.605 57.475 54.840 0.051 0.000 0.816 341 L CB -2.250 39.823 42.059 0.024 0.000 0.914 341 L HN 0.338 nan 8.230 nan 0.000 0.444 342 Q N -0.743 119.090 119.800 0.055 0.000 2.167 342 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 342 Q C 2.052 178.095 176.000 0.070 0.000 0.970 342 Q CA 1.290 57.127 55.803 0.057 0.000 0.855 342 Q CB -0.372 28.398 28.738 0.053 0.000 0.911 342 Q HN 0.476 nan 8.270 nan 0.000 0.438 343 L N -0.247 121.022 121.223 0.077 0.000 2.042 343 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 343 L C 2.094 179.019 176.870 0.091 0.000 1.076 343 L CA 1.550 56.440 54.840 0.084 0.000 0.749 343 L CB -0.599 41.511 42.059 0.085 0.000 0.893 343 L HN 0.300 nan 8.230 nan 0.000 0.432 344 I N -1.890 118.735 120.570 0.092 0.000 2.202 344 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 344 I C 2.337 178.521 176.117 0.111 0.000 1.091 344 I CA 0.834 62.192 61.300 0.097 0.000 1.368 344 I CB -0.360 37.692 38.000 0.086 0.000 1.058 344 I HN -0.000 nan 8.210 nan 0.000 0.410 345 V N 0.885 120.853 119.914 0.090 0.000 2.287 345 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 345 V C 2.070 178.250 176.094 0.144 0.000 1.053 345 V CA 2.088 64.453 62.300 0.109 0.000 1.027 345 V CB -0.694 31.172 31.823 0.072 0.000 0.646 345 V HN 0.410 nan 8.190 nan 0.000 0.447 346 D N 0.318 120.784 120.400 0.109 0.000 2.144 346 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 346 D C 2.203 178.566 176.300 0.106 0.000 0.984 346 D CA 1.603 55.661 54.000 0.097 0.000 0.834 346 D CB -0.329 40.519 40.800 0.080 0.000 0.955 346 D HN 0.456 nan 8.370 nan 0.000 0.465 347 A N 0.039 122.932 122.820 0.121 0.000 1.930 347 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 347 A C 2.154 179.825 177.584 0.145 0.000 1.175 347 A CA 1.023 53.131 52.037 0.119 0.000 0.627 347 A CB -0.888 18.182 19.000 0.117 0.000 0.815 347 A HN 0.272 nan 8.150 nan 0.000 0.443 348 Y N 0.842 121.169 120.300 0.044 0.000 2.114 348 Y HA -0.091 4.459 4.550 -0.000 0.000 0.284 348 Y C 2.519 178.441 175.900 0.036 0.000 1.143 348 Y CA 1.558 59.683 58.100 0.041 0.000 1.135 348 Y CB -0.934 37.552 38.460 0.043 0.000 0.980 348 Y HN 0.224 nan 8.280 nan 0.000 0.499 349 G N -0.409 108.408 108.800 0.029 0.000 2.450 349 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 349 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 349 G C 1.710 176.575 174.900 -0.058 0.000 1.130 349 G CA 1.078 46.142 45.100 -0.059 0.000 0.760 349 G HN 0.320 nan 8.290 nan 0.000 0.557 350 K N 0.611 121.005 120.400 -0.009 0.000 1.991 350 K HA -0.038 4.282 4.320 -0.000 0.000 0.212 350 K C 2.408 178.989 176.600 -0.031 0.000 1.049 350 K CA 1.531 57.817 56.287 -0.001 0.000 0.932 350 K CB -0.358 32.161 32.500 0.031 0.000 0.717 350 K HN 0.492 nan 8.250 nan 0.000 0.441 351 I N -2.474 118.069 120.570 -0.046 0.000 3.564 351 I HA 0.013 4.183 4.170 -0.000 0.000 0.294 351 I C 0.695 176.754 176.117 -0.096 0.000 1.289 351 I CA 0.833 62.104 61.300 -0.049 0.000 1.325 351 I CB -0.009 37.981 38.000 -0.015 0.000 1.039 351 I HN 0.029 nan 8.210 nan 0.000 0.474 352 R N 1.174 121.563 120.500 -0.185 0.000 2.432 352 R HA 0.167 4.507 4.340 -0.000 0.000 0.260 352 R C 1.804 178.042 176.300 -0.104 0.000 0.935 352 R CA 0.688 56.675 56.100 -0.188 0.000 1.080 352 R CB 0.398 30.459 30.300 -0.398 0.000 1.155 352 R HN 0.515 nan 8.270 nan 0.000 0.531 353 S N 0.643 116.299 115.700 -0.073 0.000 2.528 353 S HA -0.027 4.443 4.470 -0.000 0.000 0.219 353 S C 0.644 175.230 174.600 -0.024 0.000 0.985 353 S CA -0.060 58.115 58.200 -0.041 0.000 0.914 353 S CB -0.062 63.121 63.200 -0.028 0.000 0.776 353 S HN 0.201 nan 8.310 nan 0.000 0.526 354 K N 0.174 120.562 120.400 -0.021 0.000 2.328 354 K HA 0.780 5.100 4.320 -0.000 0.000 0.246 354 K C -1.289 175.296 176.600 -0.026 0.000 0.955 354 K CA -0.987 55.289 56.287 -0.018 0.000 0.817 354 K CB 2.280 34.767 32.500 -0.022 0.000 1.208 354 K HN 0.090 nan 8.250 nan 0.000 0.432 355 V N 1.683 121.572 119.914 -0.043 0.000 2.610 355 V HA 0.352 4.472 4.120 -0.000 0.000 0.288 355 V C -1.993 174.026 176.094 -0.126 0.000 1.055 355 V CA -0.142 62.086 62.300 -0.121 0.000 0.902 355 V CB 1.253 33.014 31.823 -0.104 0.000 1.030 355 V HN 0.935 nan 8.190 nan 0.000 0.448 356 E N 6.942 127.004 120.200 -0.230 0.000 2.210 356 E HA 0.534 4.884 4.350 -0.000 0.000 0.266 356 E C -1.055 175.293 176.600 -0.421 0.000 0.883 356 E CA -1.008 55.216 56.400 -0.295 0.000 0.761 356 E CB 2.486 32.061 29.700 -0.208 0.000 1.156 356 E HN 0.416 nan 8.360 nan 0.000 0.412 357 L N 2.054 122.911 121.223 -0.609 0.000 2.464 357 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 357 L C 0.467 177.099 176.870 -0.397 0.000 1.199 357 L CA 0.519 55.017 54.840 -0.570 0.000 0.818 357 L CB 0.124 41.716 42.059 -0.778 0.000 1.102 357 L HN 0.690 nan 8.230 nan 0.000 0.473 358 E N 0.013 120.055 120.200 -0.265 0.000 2.336 358 E HA 0.637 4.987 4.350 -0.000 0.000 0.267 358 E C -1.492 175.070 176.600 -0.063 0.000 0.906 358 E CA -0.747 55.558 56.400 -0.158 0.000 0.781 358 E CB 2.784 32.418 29.700 -0.110 0.000 1.261 358 E HN 0.223 nan 8.360 nan 0.000 0.436 359 V N 2.167 122.074 119.914 -0.012 0.000 2.525 359 V HA 0.480 4.600 4.120 -0.000 0.000 0.299 359 V C -0.586 175.547 176.094 0.065 0.000 1.034 359 V CA -0.816 61.533 62.300 0.082 0.000 0.863 359 V CB 1.542 33.420 31.823 0.091 0.000 0.999 359 V HN 0.562 nan 8.190 nan 0.000 0.423 360 R N 2.259 122.830 120.500 0.119 0.000 2.599 360 R HA 0.590 4.930 4.340 -0.000 0.000 0.295 360 R C -0.712 175.670 176.300 0.137 0.000 0.963 360 R CA -0.857 55.296 56.100 0.089 0.000 0.883 360 R CB 1.656 31.994 30.300 0.063 0.000 1.171 360 R HN 0.836 nan 8.270 nan 0.000 0.450 361 D N 0.605 121.055 120.400 0.084 0.000 2.870 361 D HA -0.184 4.456 4.640 -0.000 0.000 0.228 361 D C -0.522 175.828 176.300 0.083 0.000 1.147 361 D CA 0.529 54.585 54.000 0.093 0.000 0.757 361 D CB -0.747 40.126 40.800 0.121 0.000 1.091 361 D HN 0.374 nan 8.370 nan 0.000 0.429 362 L N 0.554 121.754 121.223 -0.037 0.000 2.500 362 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 362 L C -1.559 175.231 176.870 -0.133 0.000 1.149 362 L CA -1.278 53.403 54.840 -0.265 0.000 0.897 362 L CB 0.448 42.332 42.059 -0.291 0.000 1.178 362 L HN -0.164 nan 8.230 nan 0.000 0.473 363 P HA -0.070 nan 4.420 nan 0.000 0.261 363 P C 0.467 177.762 177.300 -0.008 0.000 1.173 363 P CA 0.054 63.171 63.100 0.028 0.000 0.760 363 P CB 0.495 32.299 31.700 0.173 0.000 0.783 364 E N 2.342 122.542 120.200 0.000 0.000 2.086 364 E HA -0.314 4.036 4.350 -0.000 0.000 0.200 364 E C 1.007 177.594 176.600 -0.021 0.000 1.012 364 E CA 1.441 57.834 56.400 -0.012 0.000 0.812 364 E CB -0.359 29.336 29.700 -0.009 0.000 0.743 364 E HN 0.370 nan 8.360 nan 0.000 0.453 365 E N 0.047 120.225 120.200 -0.037 0.000 2.489 365 E HA 0.148 4.498 4.350 -0.000 0.000 0.193 365 E C -0.248 176.336 176.600 -0.026 0.000 1.057 365 E CA -0.156 56.207 56.400 -0.060 0.000 0.866 365 E CB 0.238 29.848 29.700 -0.151 0.000 0.916 365 E HN 0.152 nan 8.360 nan 0.000 0.500 366 L N -0.184 121.045 121.223 0.010 0.000 2.360 366 L HA 0.465 4.805 4.340 -0.000 0.000 0.271 366 L C -0.645 176.203 176.870 -0.037 0.000 1.057 366 L CA -0.134 54.721 54.840 0.025 0.000 0.803 366 L CB 1.833 43.920 42.059 0.047 0.000 1.207 366 L HN -0.194 nan 8.230 nan 0.000 0.445 367 S N 3.030 118.706 115.700 -0.039 0.000 2.540 367 S HA 0.775 5.245 4.470 -0.000 0.000 0.275 367 S C -1.327 173.214 174.600 -0.099 0.000 1.123 367 S CA -0.527 57.636 58.200 -0.061 0.000 0.907 367 S CB 1.738 64.919 63.200 -0.032 0.000 1.081 367 S HN 0.338 nan 8.310 nan 0.000 0.476 368 L N 1.779 122.919 121.223 -0.138 0.000 2.354 368 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 368 L C -0.254 176.418 176.870 -0.331 0.000 1.005 368 L CA -0.174 54.502 54.840 -0.273 0.000 0.819 368 L CB 2.187 44.053 42.059 -0.322 0.000 1.311 368 L HN 0.647 nan 8.230 nan 0.000 0.423 369 S N 1.249 116.641 115.700 -0.514 0.000 2.538 369 S HA 0.761 5.231 4.470 -0.000 0.000 0.288 369 S C -1.173 173.071 174.600 -0.592 0.000 1.108 369 S CA -0.480 57.497 58.200 -0.372 0.000 0.971 369 S CB 1.105 64.181 63.200 -0.207 0.000 1.041 369 S HN 0.234 nan 8.310 nan 0.000 0.483 370 F N 1.901 121.816 119.950 -0.059 0.000 2.520 370 F HA 0.533 5.059 4.527 -0.001 0.000 0.322 370 F C 0.262 176.063 175.800 0.002 0.000 1.103 370 F CA -0.809 57.175 58.000 -0.027 0.000 0.926 370 F CB 1.626 40.619 39.000 -0.011 0.000 1.154 370 F HN 0.363 nan 8.300 nan 0.000 0.453 371 N N 1.464 120.276 118.700 0.186 0.000 2.361 371 N HA 0.719 5.459 4.740 -0.000 0.000 0.302 371 N C -1.180 174.418 175.510 0.148 0.000 1.074 371 N CA -0.738 52.384 53.050 0.119 0.000 0.850 371 N CB 2.089 40.594 38.487 0.031 0.000 1.228 371 N HN 0.658 nan 8.380 nan 0.000 0.491 372 A N 0.822 123.675 122.820 0.055 0.000 2.303 372 A HA 0.643 4.963 4.320 -0.000 0.000 0.320 372 A C -0.555 176.898 177.584 -0.218 0.000 1.192 372 A CA -0.477 51.481 52.037 -0.132 0.000 0.821 372 A CB 0.427 19.404 19.000 -0.037 0.000 1.188 372 A HN 0.475 nan 8.150 nan 0.000 0.492 373 T N 2.141 116.482 114.554 -0.354 0.000 2.842 373 T HA 0.401 4.751 4.350 -0.000 0.000 0.308 373 T C 0.192 174.704 174.700 -0.313 0.000 1.041 373 T CA -0.307 61.641 62.100 -0.253 0.000 0.964 373 T CB 0.401 69.160 68.868 -0.183 0.000 0.972 373 T HN 0.684 nan 8.240 nan 0.000 0.460 374 c N 2.996 121.458 118.600 -0.230 0.000 4.111 374 c HA 0.407 4.977 4.570 -0.000 0.000 0.443 374 c C -0.056 173.943 174.090 -0.152 0.000 1.586 374 c CA -0.495 55.709 56.329 -0.208 0.000 2.085 374 c CB -0.354 42.040 42.510 -0.194 0.000 3.126 374 c HN 0.659 nan 8.230 nan 0.000 0.684 375 L N 2.562 123.702 121.223 -0.140 0.000 2.325 375 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 375 L C 0.141 176.935 176.870 -0.128 0.000 1.004 375 L CA 0.304 55.052 54.840 -0.154 0.000 0.823 375 L CB -0.260 41.686 42.059 -0.187 0.000 1.236 375 L HN 0.487 nan 8.230 nan 0.000 0.415 376 N N 3.083 121.709 118.700 -0.122 0.000 1.276 376 N HA -0.385 4.355 4.740 -0.000 0.000 0.137 376 N C -0.157 175.302 175.510 -0.084 0.000 0.642 376 N CA 2.122 55.114 53.050 -0.097 0.000 0.986 376 N CB -0.712 37.719 38.487 -0.094 0.000 1.277 376 N HN 0.853 nan 8.380 nan 0.000 0.495 377 N N 0.955 119.613 118.700 -0.070 0.000 2.291 377 N HA 0.152 4.892 4.740 -0.000 0.000 0.244 377 N C -1.383 174.093 175.510 -0.056 0.000 1.216 377 N CA -0.107 52.906 53.050 -0.062 0.000 0.879 377 N CB 0.655 39.114 38.487 -0.047 0.000 1.167 377 N HN 0.309 nan 8.380 nan 0.000 0.515 378 E N 1.688 121.852 120.200 -0.060 0.000 2.180 378 E HA 0.081 4.431 4.350 -0.000 0.000 0.283 378 E C -0.689 175.878 176.600 -0.055 0.000 1.061 378 E CA -0.161 56.213 56.400 -0.044 0.000 0.861 378 E CB 2.155 31.837 29.700 -0.030 0.000 1.056 378 E HN -0.047 nan 8.360 nan 0.000 0.407 379 V N 6.550 126.438 119.914 -0.044 0.000 2.348 379 V HA 0.288 4.408 4.120 -0.000 0.000 0.270 379 V C -0.142 175.935 176.094 -0.028 0.000 1.037 379 V CA -0.549 61.723 62.300 -0.047 0.000 0.872 379 V CB 0.206 32.005 31.823 -0.039 0.000 1.002 379 V HN 0.520 nan 8.190 nan 0.000 0.464 380 I N 7.219 127.772 120.570 -0.028 0.000 2.312 380 I HA 0.680 4.850 4.170 -0.000 0.000 0.290 380 I C -2.496 173.625 176.117 0.007 0.000 1.008 380 I CA -2.190 59.105 61.300 -0.009 0.000 1.226 380 I CB 1.731 39.728 38.000 -0.005 0.000 1.371 380 I HN 0.378 nan 8.210 nan 0.000 0.468 381 P HA 0.252 nan 4.420 nan 0.000 0.282 381 P C 0.579 177.900 177.300 0.034 0.000 1.259 381 P CA 0.181 63.294 63.100 0.022 0.000 0.826 381 P CB 1.405 33.110 31.700 0.009 0.000 1.064 382 G N -0.172 108.661 108.800 0.055 0.000 2.249 382 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.273 382 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.273 382 G C -0.571 174.372 174.900 0.071 0.000 1.036 382 G CA 0.117 45.254 45.100 0.061 0.000 0.824 382 G HN 0.569 nan 8.290 nan 0.000 0.504 383 L N -0.543 120.747 121.223 0.111 0.000 2.410 383 L HA 0.689 5.029 4.340 -0.000 0.000 0.270 383 L C 0.752 177.710 176.870 0.146 0.000 0.983 383 L CA -0.546 54.347 54.840 0.088 0.000 0.822 383 L CB 1.465 43.565 42.059 0.068 0.000 1.285 383 L HN 0.195 nan 8.230 nan 0.000 0.409 384 K N 1.171 121.547 120.400 -0.040 0.000 2.414 384 K HA 0.430 4.750 4.320 -0.000 0.000 0.204 384 K C -0.663 175.760 176.600 -0.295 0.000 1.026 384 K CA -0.232 55.840 56.287 -0.359 0.000 1.108 384 K CB 0.578 32.541 32.500 -0.896 0.000 0.855 384 K HN 0.420 nan 8.250 nan 0.000 0.517 385 S N 0.473 116.205 115.700 0.053 0.000 2.549 385 S HA 0.555 5.025 4.470 -0.000 0.000 0.280 385 S C -1.247 173.446 174.600 0.155 0.000 1.109 385 S CA -0.705 57.517 58.200 0.037 0.000 0.905 385 S CB 1.917 65.085 63.200 -0.053 0.000 1.081 385 S HN 0.287 nan 8.310 nan 0.000 0.477 386 c N 3.030 121.706 118.600 0.127 0.000 2.782 386 c HA 0.743 5.313 4.570 -0.000 0.000 0.328 386 c C -0.210 173.891 174.090 0.019 0.000 1.145 386 c CA -0.777 55.588 56.329 0.061 0.000 1.358 386 c CB 0.786 43.314 42.510 0.029 0.000 1.841 386 c HN 1.059 nan 8.230 nan 0.000 0.477 387 M N 1.402 121.005 119.600 0.004 0.000 2.788 387 M HA 0.844 5.324 4.480 -0.000 0.000 0.291 387 M C 0.858 177.156 176.300 -0.002 0.000 1.213 387 M CA 0.468 55.767 55.300 -0.001 0.000 0.768 387 M CB 1.177 33.779 32.600 0.003 0.000 1.766 387 M HN 1.083 nan 8.290 nan 0.000 0.460 388 G N 0.420 109.220 108.800 0.001 0.000 2.155 388 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.257 388 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.257 388 G C -0.298 174.595 174.900 -0.013 0.000 0.983 388 G CA 0.646 45.748 45.100 0.004 0.000 0.676 388 G HN 0.666 nan 8.290 nan 0.000 0.528 389 L N -0.277 120.934 121.223 -0.020 0.000 2.490 389 L HA 0.737 5.077 4.340 -0.000 0.000 0.245 389 L C 0.901 177.754 176.870 -0.028 0.000 1.185 389 L CA -0.405 54.417 54.840 -0.029 0.000 0.813 389 L CB 0.650 42.693 42.059 -0.027 0.000 1.233 389 L HN 0.342 nan 8.230 nan 0.000 0.489 390 K N -0.241 120.141 120.400 -0.029 0.000 2.532 390 K HA 0.490 4.810 4.320 -0.000 0.000 0.265 390 K C -1.330 175.254 176.600 -0.026 0.000 0.948 390 K CA -0.952 55.319 56.287 -0.028 0.000 0.842 390 K CB 1.721 34.210 32.500 -0.017 0.000 1.392 390 K HN 0.207 nan 8.250 nan 0.000 0.436 391 I N 1.556 122.109 120.570 -0.027 0.000 2.742 391 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 391 I C 1.370 177.486 176.117 -0.002 0.000 1.186 391 I CA 1.699 62.988 61.300 -0.018 0.000 1.417 391 I CB -0.133 37.867 38.000 0.000 0.000 1.377 391 I HN 1.081 nan 8.210 nan 0.000 0.556 392 G N 3.384 112.183 108.800 -0.001 0.000 2.352 392 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.204 392 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.204 392 G C -0.004 174.894 174.900 -0.003 0.000 1.004 392 G CA -0.511 44.591 45.100 0.003 0.000 0.648 392 G HN 0.532 nan 8.290 nan 0.000 0.491 393 D N 1.442 121.836 120.400 -0.010 0.000 2.362 393 D HA 0.563 5.203 4.640 -0.000 0.000 0.242 393 D C 0.125 176.419 176.300 -0.010 0.000 1.132 393 D CA 0.803 54.792 54.000 -0.019 0.000 0.907 393 D CB 1.219 42.001 40.800 -0.030 0.000 1.195 393 D HN 0.101 nan 8.370 nan 0.000 0.429 394 T N 0.743 115.284 114.554 -0.021 0.000 2.840 394 T HA 0.477 4.827 4.350 -0.000 0.000 0.287 394 T C 0.095 174.764 174.700 -0.051 0.000 0.991 394 T CA -0.779 61.311 62.100 -0.016 0.000 0.964 394 T CB 1.122 69.984 68.868 -0.009 0.000 0.954 394 T HN 0.208 nan 8.240 nan 0.000 0.438 395 V N 0.772 120.650 119.914 -0.059 0.000 3.211 395 V HA 0.990 5.110 4.120 -0.000 0.000 0.319 395 V C 0.046 176.032 176.094 -0.180 0.000 1.096 395 V CA -0.813 61.391 62.300 -0.161 0.000 1.029 395 V CB 1.813 33.509 31.823 -0.213 0.000 1.137 395 V HN 0.811 nan 8.190 nan 0.000 0.453 396 S N 0.078 115.545 115.700 -0.389 0.000 2.564 396 S HA 0.859 5.329 4.470 -0.000 0.000 0.274 396 S C -1.615 172.626 174.600 -0.597 0.000 1.124 396 S CA -0.501 57.531 58.200 -0.280 0.000 0.869 396 S CB 1.433 64.550 63.200 -0.140 0.000 1.105 396 S HN 0.658 nan 8.310 nan 0.000 0.472 397 F N 1.391 121.347 119.950 0.010 0.000 2.569 397 F HA 0.581 5.108 4.527 0.000 0.000 0.312 397 F C 0.260 176.077 175.800 0.028 0.000 1.109 397 F CA -0.653 57.370 58.000 0.038 0.000 0.919 397 F CB 2.351 41.396 39.000 0.075 0.000 1.211 397 F HN 0.501 nan 8.300 nan 0.000 0.446 398 S N 3.801 119.597 115.700 0.160 0.000 2.437 398 S HA 0.790 5.260 4.470 -0.000 0.000 0.305 398 S C -0.800 173.721 174.600 -0.131 0.000 1.109 398 S CA -0.430 57.767 58.200 -0.004 0.000 1.099 398 S CB 0.242 63.422 63.200 -0.033 0.000 1.004 398 S HN 0.481 nan 8.310 nan 0.000 0.475 399 I N 3.527 123.837 120.570 -0.433 0.000 2.530 399 I HA 0.515 4.685 4.170 -0.000 0.000 0.297 399 I C -0.115 175.536 176.117 -0.778 0.000 1.011 399 I CA -0.681 60.147 61.300 -0.787 0.000 1.107 399 I CB 1.986 39.307 38.000 -1.131 0.000 1.285 399 I HN 0.560 nan 8.210 nan 0.000 0.436 400 E N 4.650 124.503 120.200 -0.578 0.000 2.216 400 E HA 0.595 4.945 4.350 -0.000 0.000 0.260 400 E C -1.496 174.963 176.600 -0.235 0.000 0.880 400 E CA -0.716 55.484 56.400 -0.333 0.000 0.765 400 E CB 2.018 31.591 29.700 -0.211 0.000 1.174 400 E HN 0.762 nan 8.360 nan 0.000 0.417 401 A N 5.056 127.834 122.820 -0.070 0.000 2.249 401 A HA 0.429 4.749 4.320 -0.000 0.000 0.314 401 A C -0.457 177.152 177.584 0.041 0.000 1.290 401 A CA -0.560 51.498 52.037 0.036 0.000 0.893 401 A CB 0.582 19.720 19.000 0.228 0.000 1.165 401 A HN 0.537 nan 8.150 nan 0.000 0.530 402 K N 2.730 123.141 120.400 0.017 0.000 2.345 402 K HA 0.577 4.897 4.320 -0.000 0.000 0.255 402 K C -1.255 175.378 176.600 0.055 0.000 0.934 402 K CA -0.484 55.822 56.287 0.032 0.000 0.801 402 K CB 1.982 34.484 32.500 0.003 0.000 1.137 402 K HN 0.521 nan 8.250 nan 0.000 0.424 403 V N 4.022 123.990 119.914 0.090 0.000 2.743 403 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 403 V C -0.678 175.427 176.094 0.018 0.000 1.057 403 V CA -0.651 61.707 62.300 0.097 0.000 1.006 403 V CB 1.454 33.404 31.823 0.213 0.000 1.024 403 V HN 0.843 nan 8.190 nan 0.000 0.473 404 R N 3.988 124.470 120.500 -0.030 0.000 2.272 404 R HA 0.585 4.925 4.340 -0.000 0.000 0.323 404 R C 0.388 176.635 176.300 -0.088 0.000 1.002 404 R CA 0.711 56.783 56.100 -0.047 0.000 0.900 404 R CB 0.526 30.803 30.300 -0.039 0.000 1.151 404 R HN 1.347 nan 8.270 nan 0.000 0.507 405 G N 2.206 110.961 108.800 -0.075 0.000 2.525 405 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 405 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 405 G C -0.890 173.929 174.900 -0.135 0.000 1.238 405 G CA -0.075 44.968 45.100 -0.095 0.000 0.926 405 G HN 0.719 nan 8.290 nan 0.000 0.574 406 c N 3.109 121.612 118.600 -0.161 0.000 2.647 406 c HA 0.718 5.288 4.570 -0.000 0.000 0.273 406 c C -1.080 172.856 174.090 -0.256 0.000 1.088 406 c CA -1.053 55.167 56.329 -0.181 0.000 1.529 406 c CB -0.693 41.758 42.510 -0.100 0.000 1.810 406 c HN 0.731 nan 8.230 nan 0.000 0.422 407 P HA 0.120 nan 4.420 nan 0.000 0.285 407 P C -0.459 176.702 177.300 -0.233 0.000 1.282 407 P CA -0.001 62.813 63.100 -0.475 0.000 0.778 407 P CB 0.342 31.446 31.700 -0.993 0.000 1.222 408 Q N 0.283 120.009 119.800 -0.123 0.000 2.414 408 Q HA -0.107 4.233 4.340 -0.000 0.000 0.288 408 Q C -0.260 175.775 176.000 0.058 0.000 1.086 408 Q CA 0.321 56.117 55.803 -0.012 0.000 0.943 408 Q CB -0.093 28.656 28.738 0.018 0.000 1.282 408 Q HN 0.302 nan 8.270 nan 0.000 0.438 409 E N 1.467 121.693 120.200 0.043 0.000 2.222 409 E HA 0.158 4.508 4.350 -0.000 0.000 0.312 409 E C -1.119 175.521 176.600 0.067 0.000 1.263 409 E CA 0.170 56.604 56.400 0.057 0.000 1.356 409 E CB -0.401 29.316 29.700 0.028 0.000 1.180 409 E HN 0.493 nan 8.360 nan 0.000 0.494 410 K N 1.283 121.747 120.400 0.106 0.000 2.570 410 K HA 0.088 4.408 4.320 -0.000 0.000 0.256 410 K C -1.391 175.270 176.600 0.102 0.000 0.939 410 K CA -0.699 55.639 56.287 0.086 0.000 0.833 410 K CB 1.015 33.559 32.500 0.074 0.000 1.318 410 K HN 0.078 nan 8.250 nan 0.000 0.433 411 E N 4.434 124.660 120.200 0.043 0.000 2.299 411 E HA 0.082 4.432 4.350 -0.000 0.000 0.272 411 E C -1.164 175.442 176.600 0.011 0.000 1.043 411 E CA 0.433 56.830 56.400 -0.005 0.000 0.895 411 E CB 0.703 30.384 29.700 -0.032 0.000 1.011 411 E HN 0.388 nan 8.360 nan 0.000 0.432 412 K N 2.440 122.844 120.400 0.007 0.000 2.221 412 K HA 0.365 4.685 4.320 -0.000 0.000 0.258 412 K C -0.788 175.841 176.600 0.049 0.000 0.944 412 K CA -0.713 55.611 56.287 0.061 0.000 0.823 412 K CB 1.758 34.348 32.500 0.149 0.000 1.113 412 K HN 0.337 nan 8.250 nan 0.000 0.431 413 S N 2.457 118.192 115.700 0.059 0.000 2.501 413 S HA 0.672 5.142 4.470 -0.000 0.000 0.301 413 S C -0.914 173.763 174.600 0.128 0.000 1.096 413 S CA -0.814 57.396 58.200 0.016 0.000 1.063 413 S CB 0.538 63.712 63.200 -0.043 0.000 1.042 413 S HN 0.529 nan 8.310 nan 0.000 0.494 414 F N -0.615 119.324 119.950 -0.018 0.000 2.664 414 F HA 0.859 5.387 4.527 0.000 0.000 0.317 414 F C -0.589 175.210 175.800 -0.002 0.000 1.108 414 F CA -0.852 57.148 58.000 0.000 0.000 0.957 414 F CB 1.389 40.401 39.000 0.019 0.000 1.365 414 F HN 0.457 nan 8.300 nan 0.000 0.475 415 T N 1.831 116.488 114.554 0.171 0.000 2.848 415 T HA 0.709 5.059 4.350 -0.000 0.000 0.285 415 T C -1.318 173.484 174.700 0.169 0.000 0.995 415 T CA -0.528 61.590 62.100 0.031 0.000 0.970 415 T CB 0.853 69.732 68.868 0.018 0.000 0.976 415 T HN 0.691 nan 8.240 nan 0.000 0.441 416 I N 5.506 126.135 120.570 0.099 0.000 2.354 416 I HA 0.490 4.660 4.170 -0.000 0.000 0.286 416 I C -0.058 176.071 176.117 0.020 0.000 1.007 416 I CA -0.806 60.573 61.300 0.130 0.000 1.167 416 I CB 1.291 39.434 38.000 0.237 0.000 1.320 416 I HN 0.669 nan 8.210 nan 0.000 0.458 417 K N 6.198 126.575 120.400 -0.038 0.000 2.509 417 K HA 0.747 5.067 4.320 -0.000 0.000 0.266 417 K C -3.204 173.279 176.600 -0.195 0.000 0.987 417 K CA -2.069 54.166 56.287 -0.088 0.000 0.868 417 K CB 2.137 34.619 32.500 -0.030 0.000 1.421 417 K HN 0.013 nan 8.250 nan 0.000 0.444 418 P HA 0.083 nan 4.420 nan 0.000 0.278 418 P C -0.432 176.710 177.300 -0.264 0.000 1.238 418 P CA -0.638 62.181 63.100 -0.467 0.000 0.794 418 P CB 0.819 31.887 31.700 -1.053 0.000 0.955 419 V N 2.718 122.501 119.914 -0.218 0.000 2.617 419 V HA 0.191 4.311 4.120 -0.000 0.000 0.304 419 V C 1.805 177.925 176.094 0.044 0.000 1.040 419 V CA 1.805 64.051 62.300 -0.089 0.000 1.149 419 V CB -0.780 30.983 31.823 -0.100 0.000 0.914 419 V HN 1.049 nan 8.190 nan 0.000 0.487 420 G N 3.829 112.665 108.800 0.061 0.000 2.184 420 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 420 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 420 G C -0.142 174.854 174.900 0.160 0.000 0.975 420 G CA 0.021 45.171 45.100 0.084 0.000 0.642 420 G HN 0.479 nan 8.290 nan 0.000 0.536 421 F N -0.253 119.635 119.950 -0.104 0.000 2.399 421 F HA 0.685 5.212 4.527 -0.001 0.000 0.328 421 F C 1.271 177.037 175.800 -0.057 0.000 1.084 421 F CA -0.906 57.033 58.000 -0.102 0.000 1.053 421 F CB 1.734 40.669 39.000 -0.109 0.000 1.209 421 F HN -0.037 nan 8.300 nan 0.000 0.502 422 K N 0.755 121.199 120.400 0.073 0.000 2.044 422 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 422 K C -0.105 176.553 176.600 0.096 0.000 1.049 422 K CA 1.116 57.449 56.287 0.077 0.000 0.945 422 K CB -0.222 32.322 32.500 0.074 0.000 0.724 422 K HN 0.510 nan 8.250 nan 0.000 0.440 423 D N 0.251 120.725 120.400 0.123 0.000 2.378 423 D HA 0.157 4.797 4.640 -0.000 0.000 0.238 423 D C -0.383 175.972 176.300 0.091 0.000 1.180 423 D CA 0.557 54.622 54.000 0.108 0.000 0.895 423 D CB 1.044 41.921 40.800 0.128 0.000 1.192 423 D HN 0.376 nan 8.370 nan 0.000 0.438 424 S N -0.094 115.633 115.700 0.046 0.000 2.565 424 S HA 0.405 4.875 4.470 -0.000 0.000 0.274 424 S C -1.487 173.108 174.600 -0.009 0.000 1.144 424 S CA -1.102 57.106 58.200 0.014 0.000 0.849 424 S CB 0.893 64.097 63.200 0.006 0.000 1.103 424 S HN 0.272 nan 8.310 nan 0.000 0.455 425 L N 2.089 123.300 121.223 -0.021 0.000 2.265 425 L HA 0.672 5.012 4.340 -0.000 0.000 0.288 425 L C -1.342 175.450 176.870 -0.130 0.000 1.058 425 L CA -0.506 54.298 54.840 -0.060 0.000 0.809 425 L CB 0.262 42.307 42.059 -0.022 0.000 1.179 425 L HN 0.723 nan 8.230 nan 0.000 0.429 426 I N 5.943 126.409 120.570 -0.173 0.000 2.321 426 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 426 I C -0.398 175.495 176.117 -0.375 0.000 0.998 426 I CA -0.174 60.978 61.300 -0.245 0.000 1.227 426 I CB 1.652 39.555 38.000 -0.162 0.000 1.368 426 I HN 0.217 nan 8.210 nan 0.000 0.466 427 V N 6.724 126.257 119.914 -0.635 0.000 2.293 427 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 427 V C -0.096 175.662 176.094 -0.561 0.000 1.021 427 V CA -0.761 61.093 62.300 -0.743 0.000 0.815 427 V CB 0.760 31.861 31.823 -1.203 0.000 1.025 427 V HN 0.652 nan 8.190 nan 0.000 0.448 428 Q N 3.469 123.072 119.800 -0.329 0.000 2.323 428 Q HA 0.396 4.736 4.340 -0.000 0.000 0.257 428 Q C -0.590 175.293 176.000 -0.195 0.000 1.022 428 Q CA -0.195 55.481 55.803 -0.211 0.000 0.919 428 Q CB 1.556 30.197 28.738 -0.162 0.000 1.220 428 Q HN 0.604 nan 8.270 nan 0.000 0.427 429 V N 3.184 122.999 119.914 -0.166 0.000 2.370 429 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 429 V C 0.097 175.949 176.094 -0.403 0.000 1.029 429 V CA -0.519 61.611 62.300 -0.283 0.000 0.870 429 V CB 1.524 33.173 31.823 -0.290 0.000 0.984 429 V HN 0.707 nan 8.190 nan 0.000 0.451 430 T N 5.419 119.733 114.554 -0.401 0.000 2.807 430 T HA 0.594 4.944 4.350 -0.000 0.000 0.279 430 T C -0.570 173.896 174.700 -0.390 0.000 0.993 430 T CA -0.132 61.775 62.100 -0.322 0.000 0.970 430 T CB 0.811 69.590 68.868 -0.147 0.000 0.950 430 T HN 0.325 nan 8.240 nan 0.000 0.441 431 F N 2.354 122.303 119.950 -0.003 0.000 2.350 431 F HA 0.275 4.802 4.527 0.000 0.000 0.365 431 F C 0.795 176.581 175.800 -0.022 0.000 1.122 431 F CA -0.933 57.060 58.000 -0.010 0.000 1.139 431 F CB 0.675 39.670 39.000 -0.008 0.000 1.220 431 F HN 0.437 nan 8.300 nan 0.000 0.499 432 D N 4.171 124.640 120.400 0.116 0.000 2.524 432 D HA 0.222 4.862 4.640 -0.000 0.000 0.222 432 D C -0.459 175.860 176.300 0.032 0.000 1.142 432 D CA -0.325 53.700 54.000 0.043 0.000 0.973 432 D CB 0.115 40.913 40.800 -0.004 0.000 1.025 432 D HN 0.537 nan 8.370 nan 0.000 0.519 433 c N 1.631 120.251 118.600 0.034 0.000 3.206 433 c HA 0.604 5.174 4.570 -0.000 0.000 0.206 433 c C -0.567 173.509 174.090 -0.024 0.000 1.836 433 c CA -1.097 55.230 56.329 -0.003 0.000 1.382 433 c CB -0.521 41.988 42.510 -0.003 0.000 2.405 433 c HN 0.269 nan 8.230 nan 0.000 0.516 434 D N 0.503 120.889 120.400 -0.024 0.000 2.977 434 D HA 0.333 4.973 4.640 -0.000 0.000 0.220 434 D C -0.643 175.637 176.300 -0.033 0.000 1.267 434 D CA 0.095 54.073 54.000 -0.036 0.000 0.884 434 D CB 2.340 43.128 40.800 -0.021 0.000 1.667 434 D HN 0.411 nan 8.370 nan 0.000 0.536 435 c N 1.253 119.825 118.600 -0.047 0.000 2.595 435 c HA 0.429 4.999 4.570 -0.000 0.000 0.384 435 c C 2.203 176.290 174.090 -0.004 0.000 1.289 435 c CA -0.387 55.926 56.329 -0.026 0.000 2.372 435 c CB 0.527 43.009 42.510 -0.046 0.000 2.593 435 c HN 0.795 nan 8.230 nan 0.000 0.639 436 A N 0.790 123.620 122.820 0.016 0.000 2.019 436 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 436 A C 1.853 179.453 177.584 0.027 0.000 1.164 436 A CA 2.112 54.162 52.037 0.022 0.000 0.644 436 A CB -0.744 18.274 19.000 0.031 0.000 0.805 436 A HN 1.104 nan 8.150 nan 0.000 0.449 437 c N -1.866 116.755 118.600 0.035 0.000 2.626 437 c HA 0.161 4.731 4.570 -0.000 0.000 0.266 437 c C 2.177 176.283 174.090 0.027 0.000 1.317 437 c CA -0.005 56.351 56.329 0.044 0.000 1.716 437 c CB -1.053 41.499 42.510 0.070 0.000 1.819 437 c HN 0.529 nan 8.230 nan 0.000 0.578 438 Q N 2.387 122.189 119.800 0.003 0.000 2.014 438 Q HA -0.196 4.144 4.340 -0.000 0.000 0.207 438 Q C 2.666 178.669 176.000 0.006 0.000 0.993 438 Q CA 2.585 58.381 55.803 -0.011 0.000 0.850 438 Q CB -0.774 27.949 28.738 -0.025 0.000 0.916 438 Q HN 0.808 nan 8.270 nan 0.000 0.417 439 A N 0.988 123.814 122.820 0.011 0.000 1.933 439 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 439 A C 1.157 178.758 177.584 0.027 0.000 1.175 439 A CA 0.856 52.902 52.037 0.015 0.000 0.628 439 A CB -0.325 18.683 19.000 0.013 0.000 0.814 439 A HN 0.397 nan 8.150 nan 0.000 0.444 440 Q N 0.112 119.933 119.800 0.036 0.000 3.026 440 Q HA 0.507 4.847 4.340 -0.000 0.000 0.258 440 Q C -0.639 175.410 176.000 0.081 0.000 1.388 440 Q CA 0.167 56.001 55.803 0.052 0.000 1.000 440 Q CB -0.112 28.658 28.738 0.054 0.000 1.634 440 Q HN 0.491 nan 8.270 nan 0.000 0.571 441 A N 2.312 125.180 122.820 0.079 0.000 2.541 441 A HA 0.301 4.621 4.320 -0.000 0.000 0.285 441 A C -1.081 176.559 177.584 0.094 0.000 1.058 441 A CA -0.727 51.383 52.037 0.121 0.000 0.886 441 A CB 0.921 19.969 19.000 0.080 0.000 1.411 441 A HN 0.453 nan 8.150 nan 0.000 0.403 442 E N 4.004 124.265 120.200 0.101 0.000 2.129 442 E HA 0.384 4.734 4.350 -0.000 0.000 0.268 442 E C -1.773 174.851 176.600 0.040 0.000 0.900 442 E CA -1.823 54.598 56.400 0.036 0.000 0.755 442 E CB 2.212 31.901 29.700 -0.019 0.000 1.117 442 E HN 0.494 nan 8.360 nan 0.000 0.410 443 P HA -0.143 nan 4.420 nan 0.000 0.212 443 P C 0.041 177.327 177.300 -0.023 0.000 1.171 443 P CA 0.318 63.445 63.100 0.045 0.000 0.892 443 P CB 0.093 31.820 31.700 0.045 0.000 0.769 444 N N 0.601 119.290 118.700 -0.019 0.000 2.844 444 N HA -0.266 4.474 4.740 -0.000 0.000 0.298 444 N C 0.745 176.229 175.510 -0.044 0.000 1.063 444 N CA 0.817 53.852 53.050 -0.024 0.000 0.818 444 N CB -0.386 38.084 38.487 -0.029 0.000 0.971 444 N HN 0.270 nan 8.380 nan 0.000 0.596 445 S N 0.159 115.856 115.700 -0.005 0.000 4.159 445 S HA -0.356 4.114 4.470 -0.000 0.000 0.538 445 S C 0.631 175.216 174.600 -0.025 0.000 1.856 445 S CA 1.643 59.849 58.200 0.010 0.000 4.240 445 S CB -1.432 61.811 63.200 0.071 0.000 0.335 445 S HN 0.883 nan 8.310 nan 0.000 0.455 446 H N 1.863 120.900 119.070 -0.056 0.000 2.174 446 H HA 0.591 5.147 4.556 0.000 0.000 0.336 446 H C 1.433 176.702 175.328 -0.098 0.000 1.810 446 H CA 1.028 57.029 56.048 -0.078 0.000 1.416 446 H CB 0.021 29.739 29.762 -0.074 0.000 1.688 446 H HN 0.842 nan 8.280 nan 0.000 0.576 447 R N -2.028 118.390 120.500 -0.137 0.000 2.808 447 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 447 R C 0.580 176.744 176.300 -0.226 0.000 0.762 447 R CA 1.669 57.597 56.100 -0.287 0.000 1.729 447 R CB -2.077 27.865 30.300 -0.596 0.000 1.223 447 R HN 0.772 nan 8.270 nan 0.000 0.569 448 c N 2.820 121.374 118.600 -0.076 0.000 2.365 448 c HA 0.406 4.976 4.570 -0.000 0.000 0.412 448 c C -0.111 173.986 174.090 0.011 0.000 1.023 448 c CA 0.099 56.495 56.329 0.111 0.000 1.287 448 c CB -2.342 40.297 42.510 0.214 0.000 1.675 448 c HN 0.580 nan 8.230 nan 0.000 0.520 449 N N 2.352 121.055 118.700 0.004 0.000 6.535 449 N HA -0.245 4.495 4.740 -0.000 0.000 0.409 449 N C -0.324 175.161 175.510 -0.042 0.000 0.975 449 N CA 0.561 53.598 53.050 -0.020 0.000 1.813 449 N CB -0.560 37.907 38.487 -0.035 0.000 0.751 449 N HN 0.883 nan 8.380 nan 0.000 0.467 450 N N 0.844 119.514 118.700 -0.050 0.000 3.103 450 N HA 0.205 4.945 4.740 -0.000 0.000 0.305 450 N C 0.180 175.627 175.510 -0.104 0.000 1.232 450 N CA 0.416 53.433 53.050 -0.056 0.000 1.190 450 N CB -0.520 37.944 38.487 -0.039 0.000 1.461 450 N HN 0.550 nan 8.380 nan 0.000 0.538 451 G N 0.876 109.592 108.800 -0.140 0.000 2.664 451 G HA2 0.239 4.199 3.960 -0.000 0.000 0.303 451 G HA3 0.239 4.199 3.960 -0.000 0.000 0.303 451 G C -1.745 173.016 174.900 -0.232 0.000 1.243 451 G CA -0.717 44.224 45.100 -0.266 0.000 0.826 451 G HN 0.455 nan 8.290 nan 0.000 0.498 452 N N -0.149 118.316 118.700 -0.391 0.000 2.577 452 N HA 0.632 5.372 4.740 -0.000 0.000 0.275 452 N C 0.101 175.474 175.510 -0.228 0.000 1.091 452 N CA -0.098 52.824 53.050 -0.213 0.000 0.843 452 N CB 2.166 40.601 38.487 -0.088 0.000 1.295 452 N HN 0.909 nan 8.380 nan 0.000 0.530 453 G N -0.530 108.201 108.800 -0.116 0.000 3.039 453 G HA2 0.687 4.647 3.960 -0.000 0.000 0.202 453 G HA3 0.687 4.647 3.960 -0.000 0.000 0.202 453 G C -1.357 173.554 174.900 0.018 0.000 1.151 453 G CA -0.419 44.659 45.100 -0.036 0.000 0.836 453 G HN 0.421 nan 8.290 nan 0.000 0.598 454 T N -1.308 113.274 114.554 0.048 0.000 2.909 454 T HA 0.680 5.030 4.350 -0.000 0.000 0.299 454 T C -2.115 172.659 174.700 0.124 0.000 1.073 454 T CA -0.534 61.612 62.100 0.076 0.000 0.999 454 T CB 1.627 70.527 68.868 0.053 0.000 1.098 454 T HN 0.662 nan 8.240 nan 0.000 0.477 455 F N 2.825 122.758 119.950 -0.029 0.000 2.565 455 F HA 0.762 5.289 4.527 -0.001 0.000 0.313 455 F C -0.549 175.250 175.800 -0.002 0.000 1.091 455 F CA -0.382 57.607 58.000 -0.019 0.000 0.915 455 F CB 1.656 40.629 39.000 -0.046 0.000 1.208 455 F HN 0.972 nan 8.300 nan 0.000 0.453 456 E N 2.044 121.911 120.200 -0.556 0.000 2.393 456 E HA 0.231 4.580 4.350 -0.000 0.000 0.278 456 E C -1.232 175.185 176.600 -0.306 0.000 1.171 456 E CA -1.033 55.210 56.400 -0.262 0.000 0.904 456 E CB 0.706 30.371 29.700 -0.058 0.000 1.309 456 E HN 0.730 nan 8.360 nan 0.000 0.423 457 c N 2.012 120.574 118.600 -0.063 0.000 2.955 457 c HA 0.020 4.590 4.570 -0.000 0.000 0.234 457 c C 1.655 175.798 174.090 0.087 0.000 1.398 457 c CA 1.625 58.001 56.329 0.078 0.000 2.269 457 c CB -2.636 39.976 42.510 0.170 0.000 1.470 457 c HN 1.526 nan 8.230 nan 0.000 0.438 458 G N -1.597 107.160 108.800 -0.072 0.000 2.189 458 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.267 458 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.267 458 G C 0.050 174.851 174.900 -0.164 0.000 0.975 458 G CA 0.700 45.752 45.100 -0.080 0.000 0.644 458 G HN 2.012 nan 8.290 nan 0.000 0.537 459 V N -0.623 119.120 119.914 -0.284 0.000 3.258 459 V HA 0.769 4.889 4.120 -0.000 0.000 0.299 459 V C -0.674 175.203 176.094 -0.363 0.000 1.376 459 V CA -0.016 62.157 62.300 -0.211 0.000 1.063 459 V CB 2.213 34.043 31.823 0.011 0.000 1.103 459 V HN 1.471 nan 8.190 nan 0.000 0.451 460 c N 2.406 120.900 118.600 -0.178 0.000 2.994 460 c HA 0.861 5.431 4.570 -0.000 0.000 0.305 460 c C -0.736 173.342 174.090 -0.021 0.000 1.251 460 c CA -1.006 55.248 56.329 -0.126 0.000 1.478 460 c CB 1.369 43.865 42.510 -0.023 0.000 1.922 460 c HN 1.036 nan 8.230 nan 0.000 0.472 461 R N 1.058 121.555 120.500 -0.004 0.000 2.346 461 R HA 0.660 5.000 4.340 -0.000 0.000 0.311 461 R C -0.714 175.612 176.300 0.042 0.000 0.983 461 R CA -0.185 55.930 56.100 0.025 0.000 0.880 461 R CB 0.900 31.211 30.300 0.018 0.000 1.100 461 R HN 0.814 nan 8.270 nan 0.000 0.453 462 c N 2.119 120.757 118.600 0.063 0.000 2.459 462 c HA 0.447 5.017 4.570 -0.000 0.000 0.374 462 c C 1.615 175.799 174.090 0.156 0.000 1.241 462 c CA -0.406 55.972 56.329 0.082 0.000 2.352 462 c CB 0.895 43.448 42.510 0.072 0.000 2.490 462 c HN 0.962 nan 8.230 nan 0.000 0.583 463 G N 1.783 110.704 108.800 0.203 0.000 2.712 463 G HA2 0.310 4.270 3.960 -0.000 0.000 0.258 463 G HA3 0.310 4.270 3.960 -0.000 0.000 0.258 463 G C -2.557 172.488 174.900 0.242 0.000 1.241 463 G CA -0.506 44.726 45.100 0.220 0.000 0.923 463 G HN 0.614 nan 8.290 nan 0.000 0.548 464 P HA 0.163 nan 4.420 nan 0.000 0.247 464 P C 0.520 177.821 177.300 0.003 0.000 1.141 464 P CA 1.910 65.049 63.100 0.063 0.000 0.858 464 P CB 0.013 31.733 31.700 0.032 0.000 0.804 465 G N 2.191 110.991 108.800 -0.001 0.000 2.643 465 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 465 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 465 G C -0.159 174.651 174.900 -0.151 0.000 1.120 465 G CA -0.619 44.418 45.100 -0.105 0.000 1.165 465 G HN 0.442 nan 8.290 nan 0.000 0.540 466 W N -0.198 121.097 121.300 -0.008 0.000 5.025 466 W HA 0.234 4.894 4.660 -0.000 0.000 0.160 466 W C 1.301 177.812 176.519 -0.012 0.000 3.401 466 W CA 0.745 58.078 57.345 -0.020 0.000 1.671 466 W CB -0.876 28.573 29.460 -0.018 0.000 1.547 466 W HN 0.799 nan 8.180 nan 0.000 0.854 467 L N 0.298 121.681 121.223 0.267 0.000 7.036 467 L HA 0.066 4.406 4.340 -0.000 0.000 0.055 467 L C 0.804 177.740 176.870 0.111 0.000 1.497 467 L CA 2.673 57.599 54.840 0.143 0.000 1.662 467 L CB -2.182 39.941 42.059 0.107 0.000 2.723 467 L HN 0.625 nan 8.230 nan 0.000 1.084 468 G N -2.134 106.716 108.800 0.085 0.000 2.785 468 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 468 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 468 G C 0.333 175.261 174.900 0.046 0.000 1.155 468 G CA 0.130 45.270 45.100 0.067 0.000 0.760 468 G HN 0.941 nan 8.290 nan 0.000 0.624 469 S N 0.724 116.451 115.700 0.044 0.000 2.378 469 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 469 S C 2.128 176.741 174.600 0.023 0.000 1.052 469 S CA 2.423 60.642 58.200 0.031 0.000 1.084 469 S CB -0.180 63.038 63.200 0.029 0.000 0.950 469 S HN 0.737 nan 8.310 nan 0.000 0.440 470 Q N -1.456 118.356 119.800 0.020 0.000 1.900 470 Q HA 0.283 4.623 4.340 -0.000 0.000 0.322 470 Q C -0.069 175.919 176.000 -0.019 0.000 0.959 470 Q CA 0.450 56.258 55.803 0.009 0.000 0.866 470 Q CB 0.305 29.047 28.738 0.007 0.000 1.196 470 Q HN 0.430 nan 8.270 nan 0.000 0.458 471 c N 1.140 119.707 118.600 -0.055 0.000 3.226 471 c HA 0.353 4.923 4.570 -0.000 0.000 0.365 471 c C -1.457 172.539 174.090 -0.157 0.000 1.027 471 c CA -0.363 55.882 56.329 -0.139 0.000 1.319 471 c CB -0.040 42.317 42.510 -0.254 0.000 1.718 471 c HN 0.487 nan 8.230 nan 0.000 0.554 472 E N 1.399 121.571 120.200 -0.047 0.000 2.446 472 E HA 0.576 4.926 4.350 -0.000 0.000 0.276 472 E C -0.398 176.235 176.600 0.055 0.000 0.969 472 E CA -0.506 55.871 56.400 -0.039 0.000 0.800 472 E CB 1.784 31.446 29.700 -0.063 0.000 1.341 472 E HN 0.965 nan 8.360 nan 0.000 0.460 473 C N 0.684 119.860 119.300 -0.208 0.000 1.558 473 C HA -0.168 4.292 4.460 -0.000 0.000 0.192 473 C C 1.758 176.754 174.990 0.011 0.000 0.861 473 C CA 0.199 59.078 59.018 -0.232 0.000 3.360 473 C CB -2.696 24.929 27.740 -0.192 0.000 1.900 473 C HN 0.955 nan 8.230 nan 0.000 0.198 474 S N 1.386 116.992 115.700 -0.156 0.000 2.348 474 S HA -0.004 4.465 4.470 -0.000 0.000 0.219 474 S C 0.647 175.092 174.600 -0.258 0.000 1.033 474 S CA 1.395 59.297 58.200 -0.498 0.000 0.974 474 S CB -0.038 62.680 63.200 -0.803 0.000 0.868 474 S HN 1.345 nan 8.310 nan 0.000 0.459 475 E N 0.484 120.590 120.200 -0.157 0.000 3.011 475 E HA 0.370 4.720 4.350 -0.000 0.000 0.315 475 E C -0.387 176.200 176.600 -0.022 0.000 1.176 475 E CA -0.436 55.911 56.400 -0.088 0.000 0.819 475 E CB 0.054 29.684 29.700 -0.117 0.000 1.508 475 E HN 0.440 nan 8.360 nan 0.000 0.381 476 E N 1.429 121.643 120.200 0.023 0.000 3.642 476 E HA -0.294 4.056 4.350 -0.000 0.000 0.245 476 E C -0.368 176.292 176.600 0.101 0.000 1.486 476 E CA 1.764 58.205 56.400 0.069 0.000 2.265 476 E CB -0.407 29.318 29.700 0.042 0.000 2.084 476 E HN 0.736 nan 8.360 nan 0.000 0.472 477 D N -0.992 119.462 120.400 0.091 0.000 2.723 477 D HA -0.240 4.400 4.640 -0.000 0.000 0.236 477 D C -0.261 176.157 176.300 0.197 0.000 1.138 477 D CA 2.012 56.071 54.000 0.099 0.000 0.676 477 D CB -1.136 39.705 40.800 0.069 0.000 1.069 477 D HN 0.526 nan 8.370 nan 0.000 0.430 478 Y N -1.835 118.476 120.300 0.018 0.000 2.728 478 Y HA -0.050 4.500 4.550 0.000 0.000 0.329 478 Y C 1.655 177.572 175.900 0.029 0.000 0.876 478 Y CA 0.600 58.717 58.100 0.029 0.000 0.876 478 Y CB -0.662 37.822 38.460 0.041 0.000 1.370 478 Y HN -0.029 nan 8.280 nan 0.000 0.543 479 R N 1.869 122.506 120.500 0.228 0.000 2.159 479 R HA -0.145 4.195 4.340 -0.000 0.000 0.249 479 R C -1.755 174.578 176.300 0.055 0.000 1.136 479 R CA 2.180 58.365 56.100 0.142 0.000 0.951 479 R CB -2.013 28.348 30.300 0.101 0.000 0.876 479 R HN 0.221 nan 8.270 nan 0.000 0.440 480 P HA -0.073 nan 4.420 nan 0.000 0.088 480 P C -0.387 176.889 177.300 -0.040 0.000 0.712 480 P CA 0.950 64.042 63.100 -0.015 0.000 1.102 480 P CB -0.349 31.334 31.700 -0.029 0.000 1.624 481 S N 0.577 116.268 115.700 -0.014 0.000 2.710 481 S HA 0.128 4.598 4.470 -0.000 0.000 0.283 481 S C -0.212 174.397 174.600 0.016 0.000 1.181 481 S CA 0.284 58.475 58.200 -0.016 0.000 1.217 481 S CB -0.387 62.781 63.200 -0.053 0.000 1.247 481 S HN 0.146 nan 8.310 nan 0.000 0.432 482 Q N -0.245 119.570 119.800 0.025 0.000 1.850 482 Q HA -0.323 4.017 4.340 -0.000 0.000 0.177 482 Q C 1.035 177.052 176.000 0.029 0.000 2.930 482 Q CA 3.367 59.195 55.803 0.041 0.000 0.222 482 Q CB -1.365 27.413 28.738 0.068 0.000 0.308 482 Q HN 0.931 nan 8.270 nan 0.000 0.372 483 Q N -0.408 119.409 119.800 0.028 0.000 3.458 483 Q HA -0.279 4.061 4.340 -0.000 0.000 0.210 483 Q C -0.780 175.231 176.000 0.018 0.000 2.737 483 Q CA 2.835 58.649 55.803 0.018 0.000 0.294 483 Q CB -1.325 27.417 28.738 0.007 0.000 0.233 483 Q HN 0.845 nan 8.270 nan 0.000 0.500 484 D N 0.036 120.450 120.400 0.023 0.000 10.730 484 D HA -0.136 4.504 4.640 -0.000 0.000 0.336 484 D C -1.197 175.105 176.300 0.003 0.000 3.136 484 D CA 1.484 55.501 54.000 0.028 0.000 2.711 484 D CB -0.145 40.683 40.800 0.046 0.000 1.218 484 D HN 0.408 nan 8.370 nan 0.000 0.943 485 E N 2.549 122.755 120.200 0.010 0.000 2.053 485 E HA 0.195 4.545 4.350 -0.000 0.000 0.297 485 E C 0.530 177.083 176.600 -0.079 0.000 1.173 485 E CA -0.039 56.349 56.400 -0.020 0.000 1.219 485 E CB -0.213 29.495 29.700 0.014 0.000 1.103 485 E HN 0.472 nan 8.360 nan 0.000 0.476 486 c N 0.815 119.334 118.600 -0.135 0.000 2.961 486 c HA 0.093 4.663 4.570 -0.000 0.000 0.287 486 c C 1.000 174.731 174.090 -0.599 0.000 1.310 486 c CA 0.259 56.453 56.329 -0.224 0.000 1.709 486 c CB 0.201 42.656 42.510 -0.092 0.000 2.163 486 c HN 0.401 nan 8.230 nan 0.000 0.517 487 S N 2.377 117.847 115.700 -0.383 0.000 2.475 487 S HA 0.363 4.833 4.470 -0.000 0.000 0.281 487 S C -2.522 171.897 174.600 -0.301 0.000 1.198 487 S CA -0.487 57.477 58.200 -0.393 0.000 1.063 487 S CB 1.104 64.189 63.200 -0.193 0.000 0.972 487 S HN 0.441 nan 8.310 nan 0.000 0.486 488 P HA 0.149 nan 4.420 nan 0.000 0.265 488 P C 0.188 177.438 177.300 -0.083 0.000 1.193 488 P CA 0.162 63.179 63.100 -0.138 0.000 0.765 488 P CB 0.412 32.076 31.700 -0.059 0.000 0.823 489 R N 1.122 121.588 120.500 -0.058 0.000 3.415 489 R HA -0.179 4.161 4.340 -0.000 0.000 0.433 489 R C 0.520 176.794 176.300 -0.043 0.000 0.524 489 R CA 1.038 57.114 56.100 -0.040 0.000 1.484 489 R CB -1.884 28.397 30.300 -0.031 0.000 2.053 489 R HN 0.642 nan 8.270 nan 0.000 0.346 490 E N -0.478 119.684 120.200 -0.063 0.000 2.389 490 E HA -0.184 4.166 4.350 -0.000 0.000 0.243 490 E C 0.656 177.232 176.600 -0.040 0.000 1.154 490 E CA 0.494 56.861 56.400 -0.055 0.000 0.723 490 E CB -1.113 28.561 29.700 -0.042 0.000 1.261 490 E HN 0.678 nan 8.360 nan 0.000 0.390 491 G N -0.330 108.446 108.800 -0.040 0.000 3.026 491 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.208 491 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.208 491 G C 0.767 175.653 174.900 -0.024 0.000 1.169 491 G CA 0.911 45.995 45.100 -0.028 0.000 0.788 491 G HN 0.476 nan 8.290 nan 0.000 0.533 492 Q N -1.828 117.954 119.800 -0.030 0.000 7.101 492 Q HA -0.111 4.229 4.340 -0.000 0.000 0.334 492 Q C -1.958 174.028 176.000 -0.024 0.000 0.950 492 Q CA 0.293 56.082 55.803 -0.023 0.000 0.658 492 Q CB -1.961 26.769 28.738 -0.014 0.000 0.356 492 Q HN 0.523 nan 8.270 nan 0.000 0.964 493 P HA 0.073 nan 4.420 nan 0.000 0.268 493 P C 0.694 177.974 177.300 -0.033 0.000 1.205 493 P CA 0.262 63.348 63.100 -0.024 0.000 0.771 493 P CB 0.945 32.629 31.700 -0.027 0.000 0.858 494 V N 2.091 121.997 119.914 -0.013 0.000 2.325 494 V HA -0.055 4.065 4.120 -0.000 0.000 0.229 494 V C 1.087 177.177 176.094 -0.007 0.000 1.062 494 V CA 1.313 63.609 62.300 -0.006 0.000 1.039 494 V CB -0.415 31.420 31.823 0.019 0.000 0.667 494 V HN 0.609 nan 8.190 nan 0.000 0.474 495 c N 1.265 119.876 118.600 0.018 0.000 3.335 495 c HA 0.507 5.077 4.570 -0.000 0.000 0.217 495 c C 0.863 174.968 174.090 0.026 0.000 1.330 495 c CA -0.720 55.631 56.329 0.037 0.000 1.470 495 c CB -0.795 41.746 42.510 0.051 0.000 1.806 495 c HN 0.725 nan 8.230 nan 0.000 0.468 496 S N 2.561 118.273 115.700 0.021 0.000 3.549 496 S HA -0.262 4.208 4.470 -0.000 0.000 0.366 496 S C 1.249 175.854 174.600 0.007 0.000 1.012 496 S CA 1.294 59.502 58.200 0.014 0.000 1.141 496 S CB -0.817 62.394 63.200 0.018 0.000 0.910 496 S HN 0.893 nan 8.310 nan 0.000 0.471 497 Q N -1.957 117.853 119.800 0.016 0.000 1.942 497 Q HA -0.285 4.055 4.340 -0.000 0.000 0.173 497 Q C 0.514 176.539 176.000 0.041 0.000 2.935 497 Q CA 2.151 57.974 55.803 0.034 0.000 0.188 497 Q CB -1.072 27.686 28.738 0.034 0.000 0.219 497 Q HN 0.674 nan 8.270 nan 0.000 0.363 498 R N 2.279 122.766 120.500 -0.022 0.000 3.206 498 R HA 0.482 4.822 4.340 -0.000 0.000 0.209 498 R C 0.390 176.492 176.300 -0.329 0.000 1.632 498 R CA 1.159 57.150 56.100 -0.182 0.000 1.234 498 R CB -0.131 30.063 30.300 -0.176 0.000 1.270 498 R HN 0.536 nan 8.270 nan 0.000 0.665 499 G N 0.485 109.170 108.800 -0.192 0.000 2.358 499 G HA2 0.166 4.126 3.960 -0.000 0.000 0.303 499 G HA3 0.166 4.126 3.960 -0.000 0.000 0.303 499 G C -1.760 173.206 174.900 0.110 0.000 1.537 499 G CA -0.969 44.097 45.100 -0.057 0.000 0.928 499 G HN 0.139 nan 8.290 nan 0.000 0.656 500 E N -0.499 119.777 120.200 0.126 0.000 2.199 500 E HA 0.460 4.810 4.350 -0.000 0.000 0.269 500 E C -0.682 175.964 176.600 0.076 0.000 0.899 500 E CA -0.709 55.754 56.400 0.104 0.000 0.772 500 E CB 2.110 31.875 29.700 0.108 0.000 1.155 500 E HN 0.596 nan 8.360 nan 0.000 0.408 501 c N 4.261 122.899 118.600 0.062 0.000 2.322 501 c HA 0.454 5.024 4.570 -0.000 0.000 0.343 501 c C -0.643 173.484 174.090 0.063 0.000 1.190 501 c CA -0.280 56.085 56.329 0.061 0.000 1.704 501 c CB -1.934 40.602 42.510 0.043 0.000 2.293 501 c HN 0.428 nan 8.230 nan 0.000 0.523 502 L N 5.421 126.687 121.223 0.071 0.000 2.381 502 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 502 L C 0.712 177.634 176.870 0.086 0.000 0.997 502 L CA -0.129 54.757 54.840 0.077 0.000 0.818 502 L CB 1.372 43.476 42.059 0.074 0.000 1.310 502 L HN 0.821 nan 8.230 nan 0.000 0.416 503 C N 2.039 121.399 119.300 0.099 0.000 4.356 503 C HA -0.027 4.433 4.460 -0.000 0.000 0.296 503 C C 1.357 176.402 174.990 0.091 0.000 1.424 503 C CA 0.397 59.480 59.018 0.107 0.000 2.000 503 C CB -2.750 25.053 27.740 0.106 0.000 1.262 503 C HN 1.554 nan 8.230 nan 0.000 0.789 504 G N -0.084 108.766 108.800 0.084 0.000 2.182 504 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.248 504 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.248 504 G C -0.234 174.721 174.900 0.091 0.000 1.042 504 G CA 1.350 46.498 45.100 0.080 0.000 0.775 504 G HN 1.680 nan 8.290 nan 0.000 0.501 505 Q N -2.495 117.363 119.800 0.095 0.000 2.832 505 Q HA 0.688 5.028 4.340 -0.000 0.000 0.329 505 Q C -0.817 175.245 176.000 0.104 0.000 0.816 505 Q CA -0.847 55.021 55.803 0.108 0.000 0.804 505 Q CB 0.597 29.385 28.738 0.083 0.000 1.376 505 Q HN 0.500 nan 8.270 nan 0.000 0.503 506 c N 0.660 119.322 118.600 0.102 0.000 2.454 506 c HA 0.790 5.360 4.570 -0.000 0.000 0.336 506 c C -0.405 173.720 174.090 0.060 0.000 1.189 506 c CA -0.406 55.975 56.329 0.086 0.000 1.877 506 c CB 1.450 44.022 42.510 0.102 0.000 2.348 506 c HN 0.512 nan 8.230 nan 0.000 0.508 507 V N 2.206 122.154 119.914 0.057 0.000 2.266 507 V HA 0.151 4.271 4.120 -0.000 0.000 0.271 507 V C -0.149 175.965 176.094 0.034 0.000 1.032 507 V CA -0.404 61.925 62.300 0.049 0.000 0.806 507 V CB 0.375 32.236 31.823 0.063 0.000 1.052 507 V HN 1.072 nan 8.190 nan 0.000 0.449 508 c N 5.508 124.101 118.600 -0.011 0.000 2.669 508 c HA 0.072 4.642 4.570 -0.000 0.000 0.380 508 c C 2.096 176.125 174.090 -0.101 0.000 1.145 508 c CA -0.306 55.966 56.329 -0.095 0.000 1.349 508 c CB -1.817 40.643 42.510 -0.084 0.000 1.941 508 c HN 0.978 nan 8.230 nan 0.000 0.559 509 H N 0.391 119.466 119.070 0.007 0.000 2.456 509 H HA -0.051 4.505 4.556 0.000 0.000 0.296 509 H C 0.906 176.230 175.328 -0.007 0.000 1.079 509 H CA 0.738 56.786 56.048 -0.000 0.000 1.322 509 H CB -0.047 29.715 29.762 -0.001 0.000 1.388 509 H HN 0.519 nan 8.280 nan 0.000 0.538 510 S N 0.569 116.157 115.700 -0.188 0.000 2.585 510 S HA 0.141 4.611 4.470 -0.000 0.000 0.273 510 S C 0.563 175.147 174.600 -0.026 0.000 1.339 510 S CA -0.193 57.985 58.200 -0.037 0.000 1.028 510 S CB 1.424 64.545 63.200 -0.132 0.000 0.906 510 S HN 0.451 nan 8.310 nan 0.000 0.528 511 S N 1.244 116.927 115.700 -0.030 0.000 2.694 511 S HA 0.146 4.616 4.470 -0.000 0.000 0.232 511 S C -0.961 173.557 174.600 -0.137 0.000 1.017 511 S CA -0.610 57.567 58.200 -0.038 0.000 1.139 511 S CB -0.118 63.073 63.200 -0.014 0.000 1.247 511 S HN 0.676 nan 8.310 nan 0.000 0.452 512 D N 2.263 122.499 120.400 -0.273 0.000 2.348 512 D HA 0.168 4.808 4.640 -0.000 0.000 0.259 512 D C 0.853 176.375 176.300 -1.296 0.000 1.296 512 D CA -0.371 53.184 54.000 -0.742 0.000 0.931 512 D CB -0.670 39.611 40.800 -0.865 0.000 1.067 512 D HN 0.538 nan 8.370 nan 0.000 0.503 513 F N 1.175 120.960 119.950 -0.276 0.000 2.871 513 F HA -0.195 4.332 4.527 -0.000 0.000 0.226 513 F C 0.560 176.191 175.800 -0.281 0.000 1.026 513 F CA 0.157 57.990 58.000 -0.277 0.000 0.828 513 F CB -1.768 37.052 39.000 -0.300 0.000 0.683 513 F HN 0.445 nan 8.300 nan 0.000 0.831 514 G N -0.504 108.275 108.800 -0.034 0.000 2.333 514 G HA2 0.329 4.289 3.960 -0.000 0.000 0.288 514 G HA3 0.329 4.289 3.960 -0.000 0.000 0.288 514 G C -1.729 173.315 174.900 0.239 0.000 1.286 514 G CA -0.794 44.426 45.100 0.200 0.000 0.865 514 G HN 0.457 nan 8.290 nan 0.000 0.506 515 K N -0.639 119.914 120.400 0.255 0.000 2.087 515 K HA 0.772 5.092 4.320 -0.000 0.000 0.255 515 K C -0.884 175.756 176.600 0.067 0.000 0.988 515 K CA -0.770 55.585 56.287 0.114 0.000 0.915 515 K CB 1.326 33.855 32.500 0.048 0.000 1.043 515 K HN 0.620 nan 8.250 nan 0.000 0.457 516 I N 2.578 123.147 120.570 -0.003 0.000 2.605 516 I HA 0.190 4.360 4.170 -0.000 0.000 0.276 516 I C -1.450 174.627 176.117 -0.067 0.000 1.161 516 I CA -0.033 61.228 61.300 -0.065 0.000 1.064 516 I CB 1.312 39.288 38.000 -0.039 0.000 1.238 516 I HN 0.587 nan 8.210 nan 0.000 0.487 517 T N 3.613 118.117 114.554 -0.083 0.000 2.927 517 T HA 0.945 5.295 4.350 -0.000 0.000 0.286 517 T C -0.174 174.478 174.700 -0.081 0.000 1.040 517 T CA -0.455 61.602 62.100 -0.071 0.000 1.010 517 T CB 1.838 70.665 68.868 -0.068 0.000 1.177 517 T HN 1.004 nan 8.240 nan 0.000 0.546 518 G N 0.847 109.598 108.800 -0.082 0.000 3.226 518 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.685 518 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.685 518 G C 0.091 174.923 174.900 -0.113 0.000 1.207 518 G CA -0.778 44.260 45.100 -0.103 0.000 0.877 518 G HN 0.500 nan 8.290 nan 0.000 0.585 519 K N 0.595 120.873 120.400 -0.203 0.000 2.442 519 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 519 K C 0.954 177.482 176.600 -0.119 0.000 1.042 519 K CA 1.178 57.341 56.287 -0.207 0.000 0.958 519 K CB -0.085 32.242 32.500 -0.288 0.000 0.766 519 K HN 0.755 nan 8.250 nan 0.000 0.474 520 Y N -0.965 119.329 120.300 -0.010 0.000 2.720 520 Y HA 0.100 4.650 4.550 0.000 0.000 0.277 520 Y C 0.315 176.198 175.900 -0.027 0.000 1.144 520 Y CA -0.945 57.148 58.100 -0.012 0.000 1.221 520 Y CB -0.170 38.285 38.460 -0.008 0.000 1.163 520 Y HN -0.061 nan 8.280 nan 0.000 0.537 521 c N 1.352 119.989 118.600 0.062 0.000 4.235 521 c HA -0.238 4.332 4.570 -0.000 0.000 0.301 521 c C 1.959 176.044 174.090 -0.008 0.000 1.409 521 c CA 0.329 56.656 56.329 -0.004 0.000 2.024 521 c CB -1.991 40.504 42.510 -0.025 0.000 1.286 521 c HN 0.641 nan 8.230 nan 0.000 0.746 522 E N -0.595 119.601 120.200 -0.007 0.000 2.038 522 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 522 E C 1.007 177.575 176.600 -0.054 0.000 1.000 522 E CA 1.649 58.043 56.400 -0.010 0.000 0.803 522 E CB 0.139 29.817 29.700 -0.037 0.000 0.750 522 E HN 0.836 nan 8.360 nan 0.000 0.448 523 c N 2.151 120.698 118.600 -0.089 0.000 2.355 523 c HA 0.342 4.912 4.570 -0.000 0.000 0.332 523 c C -0.193 173.773 174.090 -0.207 0.000 1.255 523 c CA -1.210 55.042 56.329 -0.128 0.000 1.792 523 c CB 0.639 43.080 42.510 -0.116 0.000 2.300 523 c HN 0.194 nan 8.230 nan 0.000 0.515 524 D N 1.367 121.596 120.400 -0.285 0.000 2.210 524 D HA 0.186 4.826 4.640 -0.000 0.000 0.249 524 D C 0.484 176.476 176.300 -0.513 0.000 1.062 524 D CA -0.164 53.498 54.000 -0.562 0.000 0.891 524 D CB 1.165 41.598 40.800 -0.610 0.000 1.186 524 D HN 0.568 nan 8.370 nan 0.000 0.432 525 D N 0.532 120.544 120.400 -0.647 0.000 2.305 525 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 525 D C 1.168 177.383 176.300 -0.141 0.000 0.974 525 D CA 0.630 54.469 54.000 -0.269 0.000 0.871 525 D CB 0.238 41.005 40.800 -0.054 0.000 0.947 525 D HN 0.439 nan 8.370 nan 0.000 0.516 526 F N -1.267 118.706 119.950 0.039 0.000 2.537 526 F HA 0.366 4.892 4.527 -0.000 0.000 0.277 526 F C 1.314 177.152 175.800 0.064 0.000 1.013 526 F CA -0.563 57.485 58.000 0.079 0.000 1.332 526 F CB -0.890 38.233 39.000 0.205 0.000 1.108 526 F HN -0.272 nan 8.300 nan 0.000 0.679 527 S N 1.843 117.583 115.700 0.066 0.000 2.711 527 S HA 0.267 4.737 4.470 -0.000 0.000 0.335 527 S C -0.389 174.221 174.600 0.017 0.000 1.175 527 S CA -0.313 57.952 58.200 0.108 0.000 1.372 527 S CB -1.378 61.849 63.200 0.044 0.000 1.337 527 S HN 0.397 nan 8.310 nan 0.000 0.572 528 c N 3.070 121.696 118.600 0.044 0.000 3.213 528 c HA 0.565 5.135 4.570 -0.000 0.000 0.319 528 c C 0.164 174.264 174.090 0.016 0.000 1.386 528 c CA -1.040 55.285 56.329 -0.007 0.000 1.494 528 c CB 1.383 43.874 42.510 -0.031 0.000 1.905 528 c HN 0.560 nan 8.230 nan 0.000 0.456 529 V N 2.730 122.633 119.914 -0.019 0.000 2.843 529 V HA 0.310 4.430 4.120 -0.000 0.000 0.305 529 V C 0.100 176.253 176.094 0.098 0.000 1.065 529 V CA 0.139 62.463 62.300 0.040 0.000 1.116 529 V CB 0.175 31.970 31.823 -0.047 0.000 0.968 529 V HN 0.681 nan 8.190 nan 0.000 0.487 530 R N 2.168 122.770 120.500 0.169 0.000 2.534 530 R HA 0.298 4.638 4.340 -0.000 0.000 0.301 530 R C 0.057 176.516 176.300 0.265 0.000 0.961 530 R CA -0.555 55.643 56.100 0.162 0.000 0.871 530 R CB 1.382 31.737 30.300 0.090 0.000 1.170 530 R HN 0.883 nan 8.270 nan 0.000 0.446 531 Y N 2.596 122.948 120.300 0.087 0.000 2.343 531 Y HA 0.082 4.632 4.550 0.000 0.000 0.294 531 Y C 0.070 175.967 175.900 -0.006 0.000 1.122 531 Y CA 0.687 58.809 58.100 0.037 0.000 1.173 531 Y CB 0.803 39.278 38.460 0.025 0.000 1.077 531 Y HN 0.398 nan 8.280 nan 0.000 0.542 532 K N -0.718 119.621 120.400 -0.101 0.000 2.536 532 K HA 0.375 4.695 4.320 -0.000 0.000 0.335 532 K C -0.004 176.538 176.600 -0.096 0.000 1.390 532 K CA 0.130 56.310 56.287 -0.179 0.000 1.083 532 K CB 0.695 32.984 32.500 -0.351 0.000 1.416 532 K HN 0.385 nan 8.250 nan 0.000 0.509 533 G N 2.635 111.399 108.800 -0.061 0.000 5.005 533 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.251 533 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.251 533 G C -0.165 174.706 174.900 -0.048 0.000 1.536 533 G CA 0.265 45.331 45.100 -0.057 0.000 1.060 533 G HN 0.551 nan 8.290 nan 0.000 0.683 534 E N 1.417 121.584 120.200 -0.056 0.000 2.391 534 E HA 0.509 4.859 4.350 -0.000 0.000 0.255 534 E C 1.794 178.375 176.600 -0.032 0.000 1.187 534 E CA 0.196 56.557 56.400 -0.065 0.000 0.941 534 E CB 0.355 29.984 29.700 -0.118 0.000 1.010 534 E HN 0.573 nan 8.360 nan 0.000 0.458 535 M N -0.173 119.404 119.600 -0.037 0.000 2.494 535 M HA -0.066 4.414 4.480 -0.000 0.000 0.270 535 M C 1.091 177.385 176.300 -0.010 0.000 1.092 535 M CA 1.213 56.505 55.300 -0.013 0.000 1.085 535 M CB -0.973 31.619 32.600 -0.014 0.000 1.211 535 M HN 0.309 nan 8.290 nan 0.000 0.481 536 c N 1.723 120.293 118.600 -0.049 0.000 3.089 536 c HA 0.465 5.035 4.570 -0.000 0.000 0.548 536 c C 0.695 174.745 174.090 -0.066 0.000 1.205 536 c CA 0.084 56.382 56.329 -0.051 0.000 1.398 536 c CB -2.471 39.991 42.510 -0.080 0.000 1.764 536 c HN 0.805 nan 8.230 nan 0.000 0.638 537 S N -0.189 115.510 115.700 -0.001 0.000 3.445 537 S HA -0.231 4.239 4.470 -0.000 0.000 0.319 537 S C 1.312 175.726 174.600 -0.310 0.000 1.209 537 S CA 1.287 59.487 58.200 0.001 0.000 0.934 537 S CB -1.796 61.442 63.200 0.063 0.000 0.999 537 S HN 1.792 nan 8.310 nan 0.000 0.582 538 G N 0.206 108.815 108.800 -0.318 0.000 2.203 538 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 538 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 538 G C -0.214 174.242 174.900 -0.739 0.000 1.012 538 G CA 0.774 45.592 45.100 -0.470 0.000 0.749 538 G HN 0.932 nan 8.290 nan 0.000 0.512 539 H N -0.901 117.974 119.070 -0.326 0.000 2.779 539 H HA 0.524 5.079 4.556 -0.000 0.000 0.230 539 H C 0.716 175.891 175.328 -0.254 0.000 1.365 539 H CA 0.161 55.931 56.048 -0.462 0.000 1.086 539 H CB 0.908 29.962 29.762 -1.180 0.000 2.038 539 H HN 0.865 nan 8.280 nan 0.000 0.558 540 G N 0.237 108.991 108.800 -0.078 0.000 2.442 540 G HA2 0.171 4.131 3.960 -0.000 0.000 0.296 540 G HA3 0.171 4.131 3.960 -0.000 0.000 0.296 540 G C -1.532 173.337 174.900 -0.052 0.000 1.564 540 G CA -0.966 44.107 45.100 -0.045 0.000 0.828 540 G HN 0.150 nan 8.290 nan 0.000 0.571 541 Q N -0.929 118.845 119.800 -0.042 0.000 2.212 541 Q HA 0.641 4.981 4.340 -0.000 0.000 0.238 541 Q C -0.757 175.209 176.000 -0.058 0.000 0.955 541 Q CA -0.523 55.254 55.803 -0.043 0.000 0.906 541 Q CB 2.390 31.105 28.738 -0.038 0.000 1.215 541 Q HN 0.514 nan 8.270 nan 0.000 0.478 542 c N 1.080 119.648 118.600 -0.054 0.000 2.563 542 c HA 0.730 5.300 4.570 -0.000 0.000 0.314 542 c C -1.027 173.016 174.090 -0.078 0.000 1.199 542 c CA -0.237 56.048 56.329 -0.073 0.000 1.564 542 c CB 1.136 43.607 42.510 -0.065 0.000 2.173 542 c HN 0.861 nan 8.230 nan 0.000 0.485 543 S N 2.097 117.741 115.700 -0.093 0.000 2.689 543 S HA 0.409 4.879 4.470 -0.000 0.000 0.274 543 S C -0.338 174.203 174.600 -0.098 0.000 1.176 543 S CA -0.471 57.674 58.200 -0.093 0.000 1.014 543 S CB 0.162 63.316 63.200 -0.076 0.000 1.071 543 S HN 1.398 nan 8.310 nan 0.000 0.478 544 c N 1.602 120.134 118.600 -0.114 0.000 4.356 544 c HA 0.058 4.628 4.570 -0.000 0.000 0.296 544 c C 1.728 175.763 174.090 -0.092 0.000 1.424 544 c CA 0.781 57.049 56.329 -0.102 0.000 2.000 544 c CB -2.439 40.028 42.510 -0.073 0.000 1.262 544 c HN 2.638 nan 8.230 nan 0.000 0.789 545 G N 0.139 108.872 108.800 -0.112 0.000 2.272 545 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.280 545 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.280 545 G C -0.609 174.216 174.900 -0.126 0.000 1.067 545 G CA 0.483 45.523 45.100 -0.100 0.000 0.902 545 G HN 0.761 nan 8.290 nan 0.000 0.500 546 D N -0.789 119.518 120.400 -0.155 0.000 2.855 546 D HA 0.335 4.975 4.640 -0.000 0.000 0.241 546 D C 0.001 176.167 176.300 -0.224 0.000 1.277 546 D CA -0.256 53.610 54.000 -0.225 0.000 0.918 546 D CB 1.359 42.075 40.800 -0.139 0.000 1.462 546 D HN 0.124 nan 8.370 nan 0.000 0.559 547 c N 3.157 121.566 118.600 -0.319 0.000 2.555 547 c HA 0.265 4.835 4.570 -0.000 0.000 0.385 547 c C 0.663 174.660 174.090 -0.155 0.000 1.296 547 c CA -0.494 55.701 56.329 -0.222 0.000 1.757 547 c CB -1.096 41.263 42.510 -0.250 0.000 2.445 547 c HN 0.326 nan 8.230 nan 0.000 0.571 548 L N 4.580 125.745 121.223 -0.096 0.000 2.257 548 L HA 0.313 4.653 4.340 -0.000 0.000 0.290 548 L C 0.202 177.056 176.870 -0.026 0.000 1.044 548 L CA -0.207 54.599 54.840 -0.055 0.000 0.810 548 L CB 0.130 42.160 42.059 -0.047 0.000 1.193 548 L HN 0.672 nan 8.230 nan 0.000 0.425 549 c N 1.710 120.313 118.600 0.005 0.000 2.539 549 c HA 0.185 4.755 4.570 -0.000 0.000 0.392 549 c C 0.656 174.803 174.090 0.095 0.000 1.269 549 c CA -0.773 55.591 56.329 0.058 0.000 2.250 549 c CB 0.365 42.941 42.510 0.110 0.000 2.584 549 c HN 0.656 nan 8.230 nan 0.000 0.589 550 D N 1.472 121.964 120.400 0.152 0.000 2.368 550 D HA 0.134 4.774 4.640 -0.000 0.000 0.240 550 D C 0.221 176.668 176.300 0.246 0.000 1.169 550 D CA 0.380 54.501 54.000 0.203 0.000 0.906 550 D CB 0.429 41.397 40.800 0.281 0.000 1.187 550 D HN 0.541 nan 8.370 nan 0.000 0.435 551 S N 1.248 117.037 115.700 0.148 0.000 2.558 551 S HA -0.008 4.462 4.470 -0.000 0.000 0.291 551 S C 0.123 174.736 174.600 0.023 0.000 1.306 551 S CA -0.027 58.213 58.200 0.066 0.000 1.056 551 S CB 0.193 63.404 63.200 0.019 0.000 0.836 551 S HN 0.466 nan 8.310 nan 0.000 0.504 552 D N -0.516 119.822 120.400 -0.103 0.000 3.041 552 D HA -0.151 4.489 4.640 -0.000 0.000 0.220 552 D C -1.057 174.856 176.300 -0.645 0.000 1.157 552 D CA 1.184 54.978 54.000 -0.344 0.000 0.876 552 D CB -1.525 39.018 40.800 -0.429 0.000 1.107 552 D HN 0.647 nan 8.370 nan 0.000 0.422 553 W N -0.472 120.791 121.300 -0.061 0.000 3.032 553 W HA 0.561 5.221 4.660 -0.000 0.000 0.335 553 W C 0.406 176.901 176.519 -0.039 0.000 1.154 553 W CA -0.432 56.870 57.345 -0.071 0.000 1.204 553 W CB 1.550 30.962 29.460 -0.080 0.000 1.416 553 W HN -0.051 nan 8.180 nan 0.000 0.521 554 T N -0.601 114.088 114.554 0.225 0.000 2.778 554 T HA 0.894 5.244 4.350 -0.000 0.000 0.293 554 T C 0.066 174.847 174.700 0.134 0.000 1.144 554 T CA -0.285 61.892 62.100 0.128 0.000 1.010 554 T CB 1.237 70.144 68.868 0.066 0.000 1.325 554 T HN 1.648 nan 8.240 nan 0.000 0.515 555 G N -0.423 108.444 108.800 0.112 0.000 2.730 555 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 555 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 555 G C -0.153 174.837 174.900 0.151 0.000 1.343 555 G CA 0.111 45.299 45.100 0.147 0.000 0.826 555 G HN 1.166 nan 8.290 nan 0.000 0.582 556 Y N 0.262 120.569 120.300 0.010 0.000 2.256 556 Y HA -0.049 4.501 4.550 0.000 0.000 0.288 556 Y C 2.593 178.355 175.900 -0.229 0.000 1.155 556 Y CA 2.792 60.802 58.100 -0.149 0.000 1.203 556 Y CB -0.156 38.132 38.460 -0.288 0.000 0.980 556 Y HN 0.570 nan 8.280 nan 0.000 0.530 557 Y N -2.727 117.605 120.300 0.054 0.000 2.482 557 Y HA 0.154 4.704 4.550 -0.000 0.000 0.270 557 Y C 1.469 177.316 175.900 -0.088 0.000 1.152 557 Y CA 0.156 58.235 58.100 -0.034 0.000 1.292 557 Y CB -0.450 37.976 38.460 -0.057 0.000 1.070 557 Y HN -0.039 nan 8.280 nan 0.000 0.528 558 c N 2.835 121.479 118.600 0.073 0.000 4.235 558 c HA -0.216 4.354 4.570 -0.000 0.000 0.301 558 c C 1.191 175.269 174.090 -0.019 0.000 1.409 558 c CA 0.876 57.236 56.329 0.051 0.000 2.024 558 c CB -2.384 40.119 42.510 -0.012 0.000 1.286 558 c HN 0.809 nan 8.230 nan 0.000 0.746 559 N N -1.064 117.622 118.700 -0.023 0.000 2.184 559 N HA 0.186 4.926 4.740 -0.000 0.000 0.206 559 N C -0.065 175.522 175.510 0.127 0.000 1.151 559 N CA 0.224 53.182 53.050 -0.153 0.000 0.878 559 N CB -0.094 37.906 38.487 -0.811 0.000 1.014 559 N HN 0.672 nan 8.380 nan 0.000 0.512 560 c N 1.740 120.467 118.600 0.212 0.000 2.225 560 c HA 0.507 5.077 4.570 -0.000 0.000 0.328 560 c C 0.780 174.964 174.090 0.156 0.000 1.187 560 c CA -0.394 56.032 56.329 0.162 0.000 1.665 560 c CB -1.313 41.250 42.510 0.088 0.000 2.253 560 c HN 0.438 nan 8.230 nan 0.000 0.497 561 T N 3.132 117.671 114.554 -0.025 0.000 2.900 561 T HA 0.197 4.547 4.350 -0.000 0.000 0.307 561 T C 1.346 175.878 174.700 -0.280 0.000 1.065 561 T CA 0.605 62.431 62.100 -0.457 0.000 1.105 561 T CB 0.622 69.190 68.868 -0.501 0.000 0.979 561 T HN 0.901 nan 8.240 nan 0.000 0.544 562 T N 1.674 116.016 114.554 -0.352 0.000 3.176 562 T HA 0.350 4.700 4.350 -0.000 0.000 0.263 562 T C 0.581 175.176 174.700 -0.174 0.000 1.021 562 T CA -0.447 61.535 62.100 -0.197 0.000 0.905 562 T CB -0.051 68.719 68.868 -0.163 0.000 1.057 562 T HN 0.487 nan 8.240 nan 0.000 0.558 563 R N 1.272 121.643 120.500 -0.215 0.000 2.490 563 R HA 0.462 4.802 4.340 -0.000 0.000 0.278 563 R C 1.534 177.772 176.300 -0.105 0.000 1.069 563 R CA 0.269 56.272 56.100 -0.161 0.000 1.080 563 R CB 0.772 30.961 30.300 -0.184 0.000 1.030 563 R HN 0.399 nan 8.270 nan 0.000 0.491 564 T N -3.507 110.998 114.554 -0.082 0.000 2.959 564 T HA -0.063 4.287 4.350 -0.000 0.000 0.254 564 T C 1.181 175.849 174.700 -0.053 0.000 1.003 564 T CA 0.157 62.221 62.100 -0.059 0.000 0.950 564 T CB 0.104 68.944 68.868 -0.048 0.000 1.090 564 T HN 0.677 nan 8.240 nan 0.000 0.503 565 D N 1.930 122.295 120.400 -0.059 0.000 2.182 565 D HA -0.144 4.495 4.640 -0.000 0.000 0.201 565 D C 1.482 177.758 176.300 -0.039 0.000 0.986 565 D CA 1.330 55.301 54.000 -0.049 0.000 0.847 565 D CB -0.891 39.878 40.800 -0.051 0.000 0.942 565 D HN 0.381 nan 8.370 nan 0.000 0.467 566 T N -0.048 114.481 114.554 -0.041 0.000 2.962 566 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 566 T C 1.960 176.645 174.700 -0.025 0.000 1.088 566 T CA 0.815 62.898 62.100 -0.029 0.000 1.127 566 T CB -0.287 68.564 68.868 -0.028 0.000 0.883 566 T HN 0.330 nan 8.240 nan 0.000 0.493 567 c N 0.666 119.248 118.600 -0.029 0.000 2.594 567 c HA 0.417 4.987 4.570 -0.000 0.000 0.265 567 c C 1.087 175.160 174.090 -0.028 0.000 1.351 567 c CA -0.805 55.508 56.329 -0.026 0.000 1.744 567 c CB -1.192 41.302 42.510 -0.027 0.000 1.890 567 c HN 0.444 nan 8.230 nan 0.000 0.551 568 M N 1.519 121.101 119.600 -0.030 0.000 2.228 568 M HA 0.278 4.758 4.480 -0.000 0.000 0.326 568 M C 0.529 176.813 176.300 -0.027 0.000 1.122 568 M CA 0.710 55.992 55.300 -0.029 0.000 1.161 568 M CB 0.695 33.277 32.600 -0.030 0.000 1.437 568 M HN 0.334 nan 8.290 nan 0.000 0.465 569 S N 0.167 115.850 115.700 -0.028 0.000 2.671 569 S HA 0.498 4.968 4.470 -0.000 0.000 0.299 569 S C 0.427 175.014 174.600 -0.022 0.000 1.116 569 S CA -0.872 57.312 58.200 -0.027 0.000 0.912 569 S CB 1.510 64.689 63.200 -0.034 0.000 1.130 569 S HN 0.592 nan 8.310 nan 0.000 0.501 570 S N 1.015 116.704 115.700 -0.019 0.000 2.442 570 S HA -0.113 4.357 4.470 -0.000 0.000 0.236 570 S C 1.784 176.377 174.600 -0.011 0.000 1.007 570 S CA 1.291 59.483 58.200 -0.012 0.000 0.965 570 S CB -0.825 62.368 63.200 -0.011 0.000 0.773 570 S HN 0.798 nan 8.310 nan 0.000 0.504 571 N N 0.875 119.563 118.700 -0.019 0.000 2.073 571 N HA -0.192 4.548 4.740 -0.000 0.000 0.199 571 N C 1.315 176.815 175.510 -0.015 0.000 1.023 571 N CA 2.505 55.542 53.050 -0.021 0.000 0.880 571 N CB -0.378 38.087 38.487 -0.036 0.000 1.052 571 N HN 0.472 nan 8.380 nan 0.000 0.449 572 G N -1.981 106.809 108.800 -0.017 0.000 2.561 572 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.203 572 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.203 572 G C -0.224 174.665 174.900 -0.019 0.000 1.101 572 G CA 0.118 45.210 45.100 -0.013 0.000 0.711 572 G HN 0.436 nan 8.290 nan 0.000 0.511 573 L N 2.289 123.497 121.223 -0.025 0.000 2.453 573 L HA 0.693 5.033 4.340 -0.000 0.000 0.261 573 L C 0.685 177.533 176.870 -0.036 0.000 1.179 573 L CA -0.763 54.059 54.840 -0.030 0.000 0.813 573 L CB 0.932 42.965 42.059 -0.044 0.000 1.110 573 L HN 0.319 nan 8.230 nan 0.000 0.466 574 L N 3.935 125.138 121.223 -0.033 0.000 2.380 574 L HA 0.118 4.458 4.340 -0.000 0.000 0.273 574 L C 0.312 177.157 176.870 -0.041 0.000 1.138 574 L CA 0.073 54.894 54.840 -0.033 0.000 0.832 574 L CB 0.085 42.129 42.059 -0.025 0.000 1.124 574 L HN 0.936 nan 8.230 nan 0.000 0.454 575 c N 3.236 121.812 118.600 -0.039 0.000 4.114 575 c HA -0.191 4.378 4.570 -0.000 0.000 0.300 575 c C 1.447 175.501 174.090 -0.060 0.000 1.423 575 c CA 0.701 57.005 56.329 -0.043 0.000 2.034 575 c CB -3.184 39.304 42.510 -0.036 0.000 1.299 575 c HN 1.025 nan 8.230 nan 0.000 0.727 576 S N -2.600 113.061 115.700 -0.065 0.000 3.533 576 S HA -0.205 4.265 4.470 -0.000 0.000 0.347 576 S C 1.293 175.826 174.600 -0.111 0.000 1.101 576 S CA 1.352 59.501 58.200 -0.085 0.000 1.009 576 S CB -1.525 61.619 63.200 -0.093 0.000 0.916 576 S HN 2.548 nan 8.310 nan 0.000 0.496 577 G N 0.688 109.427 108.800 -0.101 0.000 2.390 577 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.299 577 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.299 577 G C 0.270 175.083 174.900 -0.144 0.000 1.002 577 G CA 1.068 46.092 45.100 -0.126 0.000 0.979 577 G HN 0.796 nan 8.290 nan 0.000 0.513 578 R N -1.107 119.327 120.500 -0.109 0.000 2.504 578 R HA 0.481 4.821 4.340 -0.000 0.000 0.396 578 R C 0.846 177.108 176.300 -0.063 0.000 0.896 578 R CA 0.617 56.656 56.100 -0.102 0.000 1.152 578 R CB 0.339 30.570 30.300 -0.114 0.000 1.681 578 R HN 1.013 nan 8.270 nan 0.000 0.537 579 G N 0.103 108.872 108.800 -0.052 0.000 2.495 579 G HA2 0.236 4.196 3.960 -0.000 0.000 0.294 579 G HA3 0.236 4.196 3.960 -0.000 0.000 0.294 579 G C -1.915 172.969 174.900 -0.026 0.000 1.397 579 G CA -0.925 44.157 45.100 -0.031 0.000 0.790 579 G HN 0.079 nan 8.290 nan 0.000 0.486 580 K N -1.615 118.775 120.400 -0.016 0.000 2.259 580 K HA 0.690 5.010 4.320 -0.000 0.000 0.249 580 K C -0.943 175.651 176.600 -0.011 0.000 0.942 580 K CA -0.819 55.460 56.287 -0.013 0.000 0.816 580 K CB 2.142 34.638 32.500 -0.008 0.000 1.155 580 K HN 0.576 nan 8.250 nan 0.000 0.428 581 c N 2.608 121.201 118.600 -0.012 0.000 2.303 581 c HA 0.308 4.878 4.570 -0.000 0.000 0.341 581 c C -0.706 173.377 174.090 -0.011 0.000 1.244 581 c CA -0.061 56.260 56.329 -0.014 0.000 1.765 581 c CB -1.038 41.460 42.510 -0.020 0.000 2.379 581 c HN 0.886 nan 8.230 nan 0.000 0.530 582 E N 3.771 123.967 120.200 -0.008 0.000 2.235 582 E HA 0.341 4.691 4.350 -0.000 0.000 0.252 582 E C -0.093 176.505 176.600 -0.003 0.000 0.886 582 E CA -0.374 56.024 56.400 -0.003 0.000 0.767 582 E CB 0.937 30.639 29.700 0.004 0.000 1.205 582 E HN 0.882 nan 8.360 nan 0.000 0.421 583 c N 3.015 121.608 118.600 -0.012 0.000 4.424 583 c HA -0.146 4.424 4.570 -0.000 0.000 0.304 583 c C 1.399 175.474 174.090 -0.025 0.000 1.344 583 c CA 0.424 56.744 56.329 -0.016 0.000 2.033 583 c CB -2.394 40.124 42.510 0.013 0.000 1.264 583 c HN 1.264 nan 8.230 nan 0.000 0.750 584 G N 0.031 108.804 108.800 -0.044 0.000 2.283 584 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.280 584 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.280 584 G C -0.079 174.810 174.900 -0.019 0.000 1.029 584 G CA 0.661 45.735 45.100 -0.045 0.000 0.840 584 G HN 1.444 nan 8.290 nan 0.000 0.505 585 S N -1.542 114.152 115.700 -0.010 0.000 2.572 585 S HA 0.469 4.939 4.470 -0.000 0.000 0.274 585 S C 0.030 174.630 174.600 -0.000 0.000 1.150 585 S CA -0.514 57.687 58.200 0.001 0.000 0.944 585 S CB 1.653 64.861 63.200 0.013 0.000 1.071 585 S HN 0.575 nan 8.310 nan 0.000 0.479 586 c N 3.188 121.788 118.600 0.000 0.000 2.566 586 c HA 0.406 4.976 4.570 -0.000 0.000 0.393 586 c C 0.566 174.660 174.090 0.007 0.000 1.309 586 c CA -0.631 55.697 56.329 -0.001 0.000 1.801 586 c CB -0.832 41.675 42.510 -0.006 0.000 2.493 586 c HN 0.625 nan 8.230 nan 0.000 0.575 587 V N 4.589 124.506 119.914 0.005 0.000 2.368 587 V HA 0.157 4.277 4.120 -0.000 0.000 0.266 587 V C 0.466 176.565 176.094 0.008 0.000 1.045 587 V CA -0.348 61.958 62.300 0.010 0.000 0.899 587 V CB 0.194 32.022 31.823 0.009 0.000 1.006 587 V HN 1.052 nan 8.190 nan 0.000 0.470 588 C N 6.486 125.796 119.300 0.017 0.000 2.644 588 C HA 0.436 4.896 4.460 -0.000 0.000 0.417 588 C C 0.722 175.719 174.990 0.012 0.000 1.304 588 C CA -0.474 58.552 59.018 0.014 0.000 2.035 588 C CB -0.183 27.578 27.740 0.034 0.000 2.673 588 C HN 0.641 nan 8.230 nan 0.000 0.602 589 I N 1.513 122.084 120.570 0.001 0.000 3.502 589 I HA 0.120 4.290 4.170 -0.000 0.000 0.302 589 I C 1.681 177.804 176.117 0.010 0.000 1.170 589 I CA 0.218 61.519 61.300 0.001 0.000 0.953 589 I CB 0.239 38.232 38.000 -0.011 0.000 1.475 589 I HN 0.669 nan 8.210 nan 0.000 0.657 590 Q N 0.996 120.803 119.800 0.011 0.000 2.368 590 Q HA -0.145 4.195 4.340 -0.000 0.000 0.210 590 Q C -0.858 175.158 176.000 0.028 0.000 0.982 590 Q CA 1.073 56.888 55.803 0.019 0.000 0.884 590 Q CB -1.026 27.722 28.738 0.017 0.000 0.933 590 Q HN 0.530 nan 8.270 nan 0.000 0.460 591 P HA -0.045 nan 4.420 nan 0.000 0.234 591 P C 0.226 177.555 177.300 0.049 0.000 1.162 591 P CA 1.133 64.256 63.100 0.038 0.000 0.759 591 P CB -0.279 31.436 31.700 0.024 0.000 0.813 592 G N 0.087 108.921 108.800 0.057 0.000 2.256 592 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.272 592 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.272 592 G C 0.140 175.122 174.900 0.138 0.000 1.076 592 G CA 0.162 45.315 45.100 0.087 0.000 0.882 592 G HN 0.547 nan 8.290 nan 0.000 0.497 593 S N -0.657 115.108 115.700 0.110 0.000 2.621 593 S HA 0.972 5.442 4.470 -0.000 0.000 0.302 593 S C -0.333 174.365 174.600 0.163 0.000 1.093 593 S CA -0.165 58.069 58.200 0.057 0.000 1.017 593 S CB 2.563 65.744 63.200 -0.032 0.000 1.077 593 S HN 1.703 nan 8.310 nan 0.000 0.517 594 Y N -2.080 118.216 120.300 -0.008 0.000 2.853 594 Y HA 0.856 5.406 4.550 -0.000 0.000 0.326 594 Y C -0.052 175.842 175.900 -0.009 0.000 1.384 594 Y CA -0.602 57.493 58.100 -0.007 0.000 1.077 594 Y CB 0.459 38.917 38.460 -0.004 0.000 1.395 594 Y HN 1.566 nan 8.280 nan 0.000 0.451 595 G N 0.643 109.556 108.800 0.189 0.000 2.570 595 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 595 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 595 G C -0.895 174.032 174.900 0.045 0.000 1.257 595 G CA -0.160 44.985 45.100 0.075 0.000 0.846 595 G HN 0.779 nan 8.290 nan 0.000 0.627 596 D N -0.410 120.007 120.400 0.029 0.000 2.182 596 D HA 0.006 4.646 4.640 -0.000 0.000 0.201 596 D C 2.383 178.683 176.300 0.001 0.000 0.986 596 D CA 2.476 56.487 54.000 0.018 0.000 0.847 596 D CB 0.049 40.856 40.800 0.012 0.000 0.942 596 D HN 0.915 nan 8.370 nan 0.000 0.467 597 T N -3.617 110.928 114.554 -0.015 0.000 3.252 597 T HA 0.261 4.611 4.350 -0.000 0.000 0.286 597 T C 0.700 175.374 174.700 -0.043 0.000 1.013 597 T CA -0.357 61.726 62.100 -0.028 0.000 0.914 597 T CB -0.862 67.987 68.868 -0.032 0.000 1.131 597 T HN 0.192 nan 8.240 nan 0.000 0.529 598 C N 2.806 122.082 119.300 -0.041 0.000 4.356 598 C HA -0.153 4.307 4.460 -0.000 0.000 0.296 598 C C 2.135 177.057 174.990 -0.113 0.000 1.424 598 C CA 0.790 59.769 59.018 -0.066 0.000 2.000 598 C CB -2.561 25.147 27.740 -0.053 0.000 1.262 598 C HN 0.862 nan 8.230 nan 0.000 0.789 599 E N 1.265 121.393 120.200 -0.119 0.000 2.216 599 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 599 E C 0.503 176.991 176.600 -0.187 0.000 0.988 599 E CA 0.867 57.191 56.400 -0.128 0.000 0.834 599 E CB 0.094 29.739 29.700 -0.092 0.000 0.772 599 E HN 0.750 nan 8.360 nan 0.000 0.479 600 K N 0.289 120.506 120.400 -0.305 0.000 2.201 600 K HA 0.362 4.682 4.320 -0.000 0.000 0.278 600 K C -0.762 175.494 176.600 -0.574 0.000 1.027 600 K CA -0.243 55.750 56.287 -0.490 0.000 0.909 600 K CB 1.599 33.632 32.500 -0.779 0.000 1.062 600 K HN 0.062 nan 8.250 nan 0.000 0.465 601 C N 5.884 124.976 119.300 -0.348 0.000 3.079 601 C HA 0.202 4.662 4.460 -0.000 0.000 0.246 601 C C -1.660 173.291 174.990 -0.064 0.000 1.025 601 C CA -1.173 57.733 59.018 -0.187 0.000 1.081 601 C CB -0.017 27.661 27.740 -0.104 0.000 1.757 601 C HN 0.759 nan 8.230 nan 0.000 0.646 602 P HA -0.049 nan 4.420 nan 0.000 0.219 602 P C 1.007 178.328 177.300 0.036 0.000 1.146 602 P CA 1.552 64.662 63.100 0.018 0.000 0.808 602 P CB -0.044 31.692 31.700 0.060 0.000 0.779 603 T N -1.919 112.668 114.554 0.054 0.000 3.144 603 T HA 0.102 4.452 4.350 -0.000 0.000 0.249 603 T C 0.971 175.698 174.700 0.044 0.000 1.089 603 T CA -0.213 61.916 62.100 0.049 0.000 0.989 603 T CB -0.879 68.026 68.868 0.062 0.000 0.992 603 T HN 0.076 nan 8.240 nan 0.000 0.540 604 C N 4.098 123.428 119.300 0.050 0.000 2.689 604 C HA 0.312 4.772 4.460 -0.000 0.000 0.409 604 C C -1.299 173.729 174.990 0.064 0.000 1.293 604 C CA -1.429 57.639 59.018 0.083 0.000 2.136 604 C CB 0.253 28.063 27.740 0.117 0.000 2.719 604 C HN 0.409 nan 8.230 nan 0.000 0.644 605 P HA 0.136 nan 4.420 nan 0.000 0.270 605 P C -0.579 176.664 177.300 -0.094 0.000 1.223 605 P CA 0.069 63.112 63.100 -0.096 0.000 0.785 605 P CB 0.349 31.896 31.700 -0.256 0.000 0.923 606 D N 0.021 120.340 120.400 -0.135 0.000 2.361 606 D HA 0.043 4.683 4.640 -0.000 0.000 0.239 606 D C 1.206 177.430 176.300 -0.126 0.000 1.200 606 D CA -0.349 53.599 54.000 -0.087 0.000 0.915 606 D CB 0.214 40.962 40.800 -0.087 0.000 1.170 606 D HN 0.345 nan 8.370 nan 0.000 0.444 607 A N 0.866 123.670 122.820 -0.027 0.000 1.986 607 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 607 A C 2.380 179.928 177.584 -0.060 0.000 1.171 607 A CA 1.636 53.683 52.037 0.017 0.000 0.640 607 A CB -1.114 17.783 19.000 -0.172 0.000 0.811 607 A HN 0.758 nan 8.150 nan 0.000 0.451 608 c N -0.507 118.026 118.600 -0.112 0.000 2.385 608 c HA -0.187 4.383 4.570 -0.000 0.000 0.275 608 c C 3.253 177.299 174.090 -0.073 0.000 1.207 608 c CA 1.842 58.137 56.329 -0.058 0.000 1.760 608 c CB -1.733 40.705 42.510 -0.119 0.000 2.051 608 c HN 0.828 nan 8.230 nan 0.000 0.467 609 T N -1.100 113.282 114.554 -0.288 0.000 2.915 609 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 609 T C 1.265 175.744 174.700 -0.368 0.000 1.071 609 T CA 1.448 63.313 62.100 -0.393 0.000 1.132 609 T CB -0.497 68.033 68.868 -0.564 0.000 0.878 609 T HN 0.417 nan 8.240 nan 0.000 0.479 610 F N 1.373 121.290 119.950 -0.055 0.000 2.473 610 F HA 0.420 4.947 4.527 0.000 0.000 0.294 610 F C 2.478 178.245 175.800 -0.056 0.000 1.103 610 F CA -0.058 57.903 58.000 -0.065 0.000 1.442 610 F CB -0.196 38.757 39.000 -0.078 0.000 1.097 610 F HN 0.023 nan 8.300 nan 0.000 0.547 611 K N 1.191 121.666 120.400 0.125 0.000 2.137 611 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 611 K C 2.066 178.626 176.600 -0.066 0.000 1.052 611 K CA 0.911 57.244 56.287 0.076 0.000 0.961 611 K CB -0.387 32.230 32.500 0.194 0.000 0.741 611 K HN 0.365 nan 8.250 nan 0.000 0.452 612 K N 1.888 122.250 120.400 -0.063 0.000 2.057 612 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 612 K C 1.805 178.220 176.600 -0.310 0.000 1.049 612 K CA 1.876 57.957 56.287 -0.344 0.000 0.931 612 K CB -0.332 31.789 32.500 -0.632 0.000 0.714 612 K HN 0.248 nan 8.250 nan 0.000 0.440 613 E N 0.330 120.423 120.200 -0.179 0.000 2.338 613 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 613 E C 1.941 178.531 176.600 -0.017 0.000 1.007 613 E CA 1.099 57.449 56.400 -0.083 0.000 0.849 613 E CB -0.242 29.443 29.700 -0.026 0.000 0.774 613 E HN 0.442 nan 8.360 nan 0.000 0.506 614 c N 0.004 118.587 118.600 -0.028 0.000 2.551 614 c HA 0.179 4.749 4.570 -0.000 0.000 0.277 614 c C 2.424 176.496 174.090 -0.031 0.000 1.349 614 c CA -0.028 56.302 56.329 0.001 0.000 1.750 614 c CB -0.557 41.965 42.510 0.020 0.000 2.058 614 c HN 0.373 nan 8.230 nan 0.000 0.518 615 V N 0.925 120.771 119.914 -0.113 0.000 2.244 615 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 615 V C 2.546 178.710 176.094 0.117 0.000 1.042 615 V CA 2.483 64.726 62.300 -0.095 0.000 1.006 615 V CB -0.843 30.796 31.823 -0.307 0.000 0.641 615 V HN 0.543 nan 8.190 nan 0.000 0.446 616 E N -0.558 119.741 120.200 0.164 0.000 2.130 616 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 616 E C 2.193 178.907 176.600 0.191 0.000 0.998 616 E CA 1.926 58.488 56.400 0.271 0.000 0.806 616 E CB -0.682 29.084 29.700 0.111 0.000 0.738 616 E HN 0.609 nan 8.360 nan 0.000 0.459 617 c N -0.142 118.522 118.600 0.107 0.000 2.418 617 c HA -0.144 4.426 4.570 -0.000 0.000 0.280 617 c C 2.550 176.694 174.090 0.090 0.000 1.223 617 c CA 1.605 57.998 56.329 0.106 0.000 1.736 617 c CB -0.701 41.864 42.510 0.092 0.000 2.056 617 c HN 0.354 nan 8.230 nan 0.000 0.459 618 K N 0.090 120.523 120.400 0.055 0.000 2.128 618 K HA 0.061 4.381 4.320 -0.000 0.000 0.202 618 K C 2.160 178.744 176.600 -0.026 0.000 1.050 618 K CA 1.223 57.522 56.287 0.020 0.000 0.966 618 K CB -0.049 32.452 32.500 0.001 0.000 0.759 618 K HN 0.241 nan 8.250 nan 0.000 0.454 619 K N -1.040 119.322 120.400 -0.064 0.000 2.356 619 K HA 0.138 4.458 4.320 -0.000 0.000 0.195 619 K C 0.761 177.085 176.600 -0.460 0.000 1.037 619 K CA 0.622 56.755 56.287 -0.257 0.000 1.014 619 K CB 0.414 32.715 32.500 -0.332 0.000 0.815 619 K HN 0.132 nan 8.250 nan 0.000 0.507 620 F N -0.122 119.823 119.950 -0.008 0.000 2.767 620 F HA 0.088 4.615 4.527 -0.000 0.000 0.323 620 F C 0.142 175.899 175.800 -0.071 0.000 1.091 620 F CA -0.344 57.644 58.000 -0.021 0.000 1.192 620 F CB 0.596 39.598 39.000 0.003 0.000 1.056 620 F HN -0.029 nan 8.300 nan 0.000 0.571 621 D N 1.035 121.463 120.400 0.046 0.000 2.981 621 D HA -0.196 4.444 4.640 -0.000 0.000 0.223 621 D C 0.037 176.071 176.300 -0.443 0.000 1.151 621 D CA 0.658 54.587 54.000 -0.119 0.000 0.827 621 D CB -0.457 40.291 40.800 -0.086 0.000 1.101 621 D HN 0.333 nan 8.370 nan 0.000 0.426 622 R N -1.251 119.134 120.500 -0.192 0.000 2.922 622 R HA 0.832 5.172 4.340 -0.000 0.000 0.256 622 R C 0.645 176.953 176.300 0.013 0.000 1.138 622 R CA -0.649 55.343 56.100 -0.181 0.000 0.995 622 R CB 1.680 31.946 30.300 -0.056 0.000 1.226 622 R HN 0.202 nan 8.270 nan 0.000 0.481 623 G N -0.551 108.282 108.800 0.055 0.000 2.498 623 G HA2 0.016 3.976 3.960 -0.000 0.000 0.651 623 G HA3 0.016 3.976 3.960 -0.000 0.000 0.651 623 G C 0.235 175.204 174.900 0.114 0.000 1.284 623 G CA -0.219 44.927 45.100 0.077 0.000 0.950 623 G HN 0.666 nan 8.290 nan 0.000 0.511 624 A N -0.972 121.897 122.820 0.082 0.000 1.858 624 A HA 0.213 4.533 4.320 -0.000 0.000 0.216 624 A C 2.636 180.279 177.584 0.098 0.000 1.190 624 A CA 2.666 54.751 52.037 0.080 0.000 0.617 624 A CB -0.473 18.564 19.000 0.062 0.000 0.827 624 A HN 1.233 nan 8.150 nan 0.000 0.443 625 L N -0.514 120.776 121.223 0.112 0.000 2.131 625 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 625 L C 2.463 179.396 176.870 0.105 0.000 1.092 625 L CA 1.984 56.898 54.840 0.123 0.000 0.759 625 L CB -0.929 41.212 42.059 0.137 0.000 0.903 625 L HN 0.657 nan 8.230 nan 0.000 0.435 626 H N -0.205 118.889 119.070 0.040 0.000 2.357 626 H HA -0.136 4.420 4.556 0.000 0.000 0.301 626 H C 1.380 176.721 175.328 0.021 0.000 1.082 626 H CA 1.782 57.847 56.048 0.029 0.000 1.342 626 H CB 0.344 30.129 29.762 0.038 0.000 1.389 626 H HN 0.306 nan 8.280 nan 0.000 0.511 627 D N 0.636 121.056 120.400 0.035 0.000 2.144 627 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 627 D C 2.040 178.307 176.300 -0.056 0.000 0.978 627 D CA 0.877 54.864 54.000 -0.021 0.000 0.833 627 D CB -0.148 40.690 40.800 0.063 0.000 0.961 627 D HN 0.581 nan 8.370 nan 0.000 0.470 628 E N 0.467 120.655 120.200 -0.021 0.000 2.427 628 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 628 E C 0.139 176.696 176.600 -0.072 0.000 1.028 628 E CA -0.001 56.385 56.400 -0.024 0.000 0.864 628 E CB -0.775 28.940 29.700 0.025 0.000 0.813 628 E HN 0.326 nan 8.360 nan 0.000 0.514 629 N N 0.659 119.291 118.700 -0.112 0.000 2.708 629 N HA -0.178 4.562 4.740 -0.000 0.000 0.255 629 N C -0.186 175.243 175.510 -0.135 0.000 1.046 629 N CA 0.871 53.838 53.050 -0.138 0.000 0.715 629 N CB -0.875 37.528 38.487 -0.140 0.000 0.895 629 N HN 0.322 nan 8.380 nan 0.000 0.545 630 T N -4.614 109.871 114.554 -0.115 0.000 3.170 630 T HA 0.173 4.522 4.350 -0.000 0.000 0.288 630 T C 1.713 176.345 174.700 -0.113 0.000 0.992 630 T CA 0.276 62.239 62.100 -0.229 0.000 0.909 630 T CB -0.270 68.411 68.868 -0.311 0.000 1.133 630 T HN 0.422 nan 8.240 nan 0.000 0.530 631 c N 2.106 120.691 118.600 -0.026 0.000 2.418 631 c HA -0.067 4.503 4.570 -0.000 0.000 0.280 631 c C 2.614 176.708 174.090 0.007 0.000 1.223 631 c CA 1.510 57.858 56.329 0.031 0.000 1.736 631 c CB -1.271 41.272 42.510 0.054 0.000 2.056 631 c HN 0.701 nan 8.230 nan 0.000 0.459 632 N N -0.303 118.381 118.700 -0.026 0.000 2.289 632 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 632 N C 1.931 177.417 175.510 -0.040 0.000 1.016 632 N CA 1.131 54.165 53.050 -0.026 0.000 0.872 632 N CB -0.324 38.142 38.487 -0.035 0.000 0.973 632 N HN 0.596 nan 8.380 nan 0.000 0.433 633 R N -1.118 119.325 120.500 -0.095 0.000 2.055 633 R HA 0.063 4.403 4.340 -0.000 0.000 0.221 633 R C 1.585 177.883 176.300 -0.003 0.000 1.154 633 R CA 0.731 56.763 56.100 -0.113 0.000 0.975 633 R CB -0.396 29.741 30.300 -0.272 0.000 0.869 633 R HN 0.313 nan 8.270 nan 0.000 0.437 634 Y N -0.219 120.072 120.300 -0.014 0.000 2.574 634 Y HA -0.066 4.484 4.550 -0.000 0.000 0.294 634 Y C 0.187 176.083 175.900 -0.007 0.000 1.142 634 Y CA -0.255 57.836 58.100 -0.015 0.000 1.314 634 Y CB 0.274 38.725 38.460 -0.016 0.000 0.991 634 Y HN 0.262 nan 8.280 nan 0.000 0.555 635 c N -1.067 117.618 118.600 0.141 0.000 2.727 635 c HA 0.494 5.064 4.570 -0.000 0.000 0.369 635 c C -0.044 174.080 174.090 0.057 0.000 1.067 635 c CA -1.393 54.990 56.329 0.090 0.000 1.273 635 c CB 0.473 43.032 42.510 0.082 0.000 1.778 635 c HN 0.307 nan 8.230 nan 0.000 0.467 636 R N 0.703 121.233 120.500 0.051 0.000 2.791 636 R HA 0.245 4.585 4.340 -0.000 0.000 0.357 636 R C -0.533 175.788 176.300 0.036 0.000 1.173 636 R CA -0.319 55.803 56.100 0.036 0.000 1.060 636 R CB 0.049 30.367 30.300 0.030 0.000 1.406 636 R HN 0.718 nan 8.270 nan 0.000 0.580 637 D N 1.891 122.318 120.400 0.044 0.000 2.382 637 D HA -0.001 4.639 4.640 -0.000 0.000 0.245 637 D C -0.071 176.237 176.300 0.013 0.000 1.120 637 D CA 0.266 54.291 54.000 0.041 0.000 0.890 637 D CB 1.005 41.850 40.800 0.076 0.000 1.201 637 D HN 0.147 nan 8.370 nan 0.000 0.433 638 E N 1.520 121.716 120.200 -0.007 0.000 2.029 638 E HA 0.123 4.473 4.350 -0.000 0.000 0.276 638 E C -0.239 176.334 176.600 -0.045 0.000 1.163 638 E CA -0.284 56.104 56.400 -0.020 0.000 0.909 638 E CB 0.272 29.959 29.700 -0.021 0.000 1.046 638 E HN 0.228 nan 8.360 nan 0.000 0.406 639 I N 4.587 125.141 120.570 -0.027 0.000 2.329 639 I HA -0.017 4.153 4.170 -0.000 0.000 0.295 639 I C 0.712 176.826 176.117 -0.005 0.000 1.109 639 I CA 0.118 61.400 61.300 -0.029 0.000 1.297 639 I CB 0.037 38.016 38.000 -0.035 0.000 1.433 639 I HN 0.312 nan 8.210 nan 0.000 0.509 640 E N 3.094 123.309 120.200 0.025 0.000 2.330 640 E HA 0.437 4.787 4.350 -0.000 0.000 0.256 640 E C -0.290 176.381 176.600 0.118 0.000 1.146 640 E CA -0.590 55.866 56.400 0.094 0.000 0.945 640 E CB 1.355 31.173 29.700 0.196 0.000 1.182 640 E HN 0.283 nan 8.360 nan 0.000 0.480 641 S N 0.802 116.566 115.700 0.107 0.000 2.389 641 S HA 0.291 4.761 4.470 -0.000 0.000 0.201 641 S C -0.459 174.182 174.600 0.069 0.000 1.422 641 S CA -0.625 57.622 58.200 0.078 0.000 1.216 641 S CB -0.526 62.685 63.200 0.018 0.000 1.130 641 S HN 0.358 nan 8.310 nan 0.000 0.465 642 V N 3.086 123.053 119.914 0.088 0.000 3.264 642 V HA 0.562 4.682 4.120 -0.000 0.000 0.304 642 V C 1.216 177.325 176.094 0.026 0.000 1.086 642 V CA -0.195 62.120 62.300 0.025 0.000 1.090 642 V CB 0.936 32.740 31.823 -0.032 0.000 1.112 642 V HN 0.762 nan 8.190 nan 0.000 0.472 643 K N -0.388 120.014 120.400 0.003 0.000 2.352 643 K HA 0.297 4.617 4.320 -0.000 0.000 0.194 643 K C 0.575 177.181 176.600 0.010 0.000 1.038 643 K CA 0.455 56.748 56.287 0.010 0.000 1.023 643 K CB 0.303 32.803 32.500 0.001 0.000 0.840 643 K HN 0.921 nan 8.250 nan 0.000 0.519 644 E N 0.191 120.388 120.200 -0.004 0.000 2.343 644 E HA 0.237 4.587 4.350 -0.000 0.000 0.278 644 E C -1.207 175.382 176.600 -0.018 0.000 0.910 644 E CA -0.542 55.855 56.400 -0.005 0.000 0.757 644 E CB 1.321 31.012 29.700 -0.015 0.000 1.218 644 E HN -0.014 nan 8.360 nan 0.000 0.435 645 L N 2.128 123.354 121.223 0.005 0.000 2.469 645 L HA 0.533 4.873 4.340 -0.000 0.000 0.253 645 L C 0.071 176.932 176.870 -0.015 0.000 1.143 645 L CA -0.508 54.334 54.840 0.005 0.000 0.804 645 L CB 0.680 42.768 42.059 0.049 0.000 1.214 645 L HN 0.395 nan 8.230 nan 0.000 0.476 646 K N 0.251 120.644 120.400 -0.012 0.000 2.464 646 K HA 0.178 4.498 4.320 -0.000 0.000 0.253 646 K C -1.408 175.202 176.600 0.017 0.000 0.933 646 K CA -0.803 55.477 56.287 -0.012 0.000 0.801 646 K CB 2.114 34.588 32.500 -0.042 0.000 1.271 646 K HN 0.388 nan 8.250 nan 0.000 0.430 647 D N 1.843 122.253 120.400 0.016 0.000 2.600 647 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 647 D C 0.738 177.055 176.300 0.028 0.000 1.119 647 D CA 0.504 54.520 54.000 0.026 0.000 1.051 647 D CB 0.300 41.112 40.800 0.020 0.000 1.106 647 D HN 0.457 nan 8.370 nan 0.000 0.491 648 T N 1.189 115.767 114.554 0.041 0.000 3.113 648 T HA 0.160 4.510 4.350 -0.000 0.000 0.256 648 T C 1.437 176.172 174.700 0.057 0.000 1.131 648 T CA 0.863 62.987 62.100 0.042 0.000 1.074 648 T CB -0.439 68.456 68.868 0.045 0.000 0.944 648 T HN 0.566 nan 8.240 nan 0.000 0.516 649 G N 1.607 110.443 108.800 0.060 0.000 2.176 649 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 649 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 649 G C -0.001 174.943 174.900 0.073 0.000 1.024 649 G CA 0.650 45.784 45.100 0.056 0.000 0.755 649 G HN 0.597 nan 8.290 nan 0.000 0.507 650 K N -0.984 119.480 120.400 0.107 0.000 2.246 650 K HA 0.450 4.770 4.320 -0.000 0.000 0.239 650 K C -0.893 175.763 176.600 0.094 0.000 1.089 650 K CA -1.066 55.300 56.287 0.132 0.000 0.892 650 K CB 0.718 33.394 32.500 0.293 0.000 1.334 650 K HN -0.081 nan 8.250 nan 0.000 0.507 651 D N 1.579 121.981 120.400 0.003 0.000 2.482 651 D HA 0.172 4.812 4.640 -0.000 0.000 0.244 651 D C -0.791 175.544 176.300 0.058 0.000 1.242 651 D CA 0.378 54.344 54.000 -0.056 0.000 1.097 651 D CB -0.237 40.414 40.800 -0.250 0.000 1.109 651 D HN 0.477 nan 8.370 nan 0.000 0.510 652 A N 1.192 124.088 122.820 0.127 0.000 2.325 652 A HA 0.681 5.001 4.320 -0.000 0.000 0.333 652 A C -0.427 177.244 177.584 0.145 0.000 1.155 652 A CA -0.631 51.511 52.037 0.176 0.000 0.814 652 A CB 1.430 20.525 19.000 0.158 0.000 1.206 652 A HN 0.206 nan 8.150 nan 0.000 0.482 653 V N 3.651 123.667 119.914 0.171 0.000 2.568 653 V HA 0.174 4.294 4.120 -0.000 0.000 0.276 653 V C -1.016 175.101 176.094 0.038 0.000 1.002 653 V CA -1.010 61.360 62.300 0.116 0.000 0.879 653 V CB 1.341 33.270 31.823 0.176 0.000 1.040 653 V HN 0.859 nan 8.190 nan 0.000 0.457 654 N N 3.104 121.799 118.700 -0.010 0.000 2.405 654 N HA 0.278 5.018 4.740 -0.000 0.000 0.260 654 N C -0.374 175.022 175.510 -0.189 0.000 1.152 654 N CA 0.011 53.014 53.050 -0.078 0.000 0.948 654 N CB 0.983 39.451 38.487 -0.032 0.000 1.111 654 N HN 0.591 nan 8.380 nan 0.000 0.485 655 c N 1.528 119.865 118.600 -0.438 0.000 2.329 655 c HA 0.703 5.273 4.570 -0.000 0.000 0.329 655 c C 0.664 174.517 174.090 -0.396 0.000 1.275 655 c CA -0.825 55.177 56.329 -0.545 0.000 1.726 655 c CB 0.395 42.280 42.510 -1.043 0.000 2.291 655 c HN 0.732 nan 8.230 nan 0.000 0.514 656 T N 0.958 115.455 114.554 -0.097 0.000 2.893 656 T HA 0.803 5.153 4.350 -0.000 0.000 0.293 656 T C -1.062 173.755 174.700 0.195 0.000 1.027 656 T CA -0.484 61.645 62.100 0.048 0.000 0.988 656 T CB 1.478 70.344 68.868 -0.004 0.000 1.043 656 T HN 0.892 nan 8.240 nan 0.000 0.461 657 Y N -0.504 119.828 120.300 0.054 0.000 2.581 657 Y HA 0.714 5.264 4.550 0.000 0.000 0.337 657 Y C -0.930 174.979 175.900 0.015 0.000 1.108 657 Y CA -1.456 56.666 58.100 0.037 0.000 1.033 657 Y CB 1.665 40.165 38.460 0.067 0.000 1.318 657 Y HN 0.803 nan 8.280 nan 0.000 0.459 658 K N 3.284 123.700 120.400 0.028 0.000 2.248 658 K HA 0.278 4.598 4.320 -0.000 0.000 0.281 658 K C -0.640 175.953 176.600 -0.012 0.000 1.054 658 K CA -0.610 55.635 56.287 -0.070 0.000 0.903 658 K CB 0.388 32.876 32.500 -0.020 0.000 1.077 658 K HN 0.895 nan 8.250 nan 0.000 0.474 659 N N 2.303 120.904 118.700 -0.165 0.000 2.413 659 N HA -0.059 4.681 4.740 -0.000 0.000 0.266 659 N C 0.551 176.012 175.510 -0.081 0.000 1.238 659 N CA -0.264 52.727 53.050 -0.099 0.000 0.972 659 N CB 0.435 38.726 38.487 -0.325 0.000 1.210 659 N HN 0.678 nan 8.380 nan 0.000 0.547 660 E N -1.571 118.587 120.200 -0.071 0.000 2.338 660 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 660 E C -0.247 176.316 176.600 -0.062 0.000 1.007 660 E CA 0.900 57.270 56.400 -0.050 0.000 0.849 660 E CB -0.293 29.386 29.700 -0.034 0.000 0.774 660 E HN 0.473 nan 8.360 nan 0.000 0.506 661 D N 1.396 121.737 120.400 -0.098 0.000 2.363 661 D HA -0.054 4.586 4.640 -0.000 0.000 0.226 661 D C -0.320 175.938 176.300 -0.070 0.000 1.020 661 D CA 0.708 54.661 54.000 -0.079 0.000 0.892 661 D CB -0.053 40.691 40.800 -0.093 0.000 0.900 661 D HN 0.140 nan 8.370 nan 0.000 0.531 662 D N -1.010 119.344 120.400 -0.076 0.000 2.981 662 D HA -0.164 4.476 4.640 -0.000 0.000 0.223 662 D C -0.611 175.644 176.300 -0.075 0.000 1.151 662 D CA 0.383 54.346 54.000 -0.062 0.000 0.827 662 D CB -2.027 38.749 40.800 -0.039 0.000 1.101 662 D HN 0.257 nan 8.370 nan 0.000 0.426 663 c N 0.133 118.664 118.600 -0.114 0.000 2.376 663 c HA 0.576 5.146 4.570 -0.000 0.000 0.335 663 c C 0.948 174.937 174.090 -0.168 0.000 1.229 663 c CA -0.899 55.361 56.329 -0.114 0.000 1.867 663 c CB 1.824 44.273 42.510 -0.102 0.000 2.319 663 c HN 0.158 nan 8.230 nan 0.000 0.515 664 V N 4.464 124.303 119.914 -0.127 0.000 2.352 664 V HA 0.117 4.237 4.120 -0.000 0.000 0.253 664 V C 0.338 176.335 176.094 -0.162 0.000 1.083 664 V CA 0.124 62.336 62.300 -0.147 0.000 0.993 664 V CB 0.141 31.919 31.823 -0.076 0.000 1.111 664 V HN 0.715 nan 8.190 nan 0.000 0.490 665 V N 7.225 126.942 119.914 -0.328 0.000 2.614 665 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 665 V C 0.455 176.531 176.094 -0.030 0.000 1.049 665 V CA -0.340 61.829 62.300 -0.219 0.000 1.038 665 V CB 0.975 32.513 31.823 -0.476 0.000 0.980 665 V HN 0.862 nan 8.190 nan 0.000 0.481 666 R N 5.115 125.696 120.500 0.134 0.000 2.575 666 R HA 0.730 5.070 4.340 -0.000 0.000 0.293 666 R C -1.307 175.176 176.300 0.305 0.000 0.983 666 R CA -0.500 55.692 56.100 0.154 0.000 0.887 666 R CB 1.950 32.291 30.300 0.068 0.000 1.184 666 R HN 0.681 nan 8.270 nan 0.000 0.445 667 F N -0.443 119.605 119.950 0.163 0.000 2.596 667 F HA 0.370 4.897 4.527 0.000 0.000 0.311 667 F C -0.824 175.096 175.800 0.199 0.000 1.116 667 F CA -1.190 56.924 58.000 0.190 0.000 0.957 667 F CB 1.758 40.889 39.000 0.218 0.000 1.250 667 F HN 0.491 nan 8.300 nan 0.000 0.444 668 Q N 3.162 123.150 119.800 0.314 0.000 2.226 668 Q HA 0.524 4.864 4.340 -0.000 0.000 0.256 668 Q C -1.993 174.258 176.000 0.418 0.000 0.962 668 Q CA -0.865 55.101 55.803 0.271 0.000 0.887 668 Q CB 2.785 31.677 28.738 0.256 0.000 1.282 668 Q HN 0.907 nan 8.270 nan 0.000 0.449 669 Y N 1.679 122.111 120.300 0.220 0.000 2.393 669 Y HA 0.491 5.040 4.550 -0.000 0.000 0.341 669 Y C -2.137 173.892 175.900 0.216 0.000 0.988 669 Y CA -1.246 56.977 58.100 0.206 0.000 1.078 669 Y CB 1.818 40.387 38.460 0.182 0.000 1.203 669 Y HN 0.774 nan 8.280 nan 0.000 0.453 670 Y N 6.852 126.756 120.300 -0.660 0.000 2.445 670 Y HA 0.277 4.827 4.550 -0.000 0.000 0.332 670 Y C -0.666 174.888 175.900 -0.577 0.000 1.037 670 Y CA -0.711 57.119 58.100 -0.451 0.000 1.296 670 Y CB 0.690 39.056 38.460 -0.156 0.000 1.099 670 Y HN 0.781 nan 8.280 nan 0.000 0.496 671 E N 1.843 121.582 120.200 -0.767 0.000 2.561 671 E HA 0.317 4.667 4.350 -0.000 0.000 0.254 671 E C -0.707 175.649 176.600 -0.406 0.000 1.213 671 E CA -0.521 55.602 56.400 -0.461 0.000 0.995 671 E CB 0.655 30.208 29.700 -0.244 0.000 1.233 671 E HN 0.519 nan 8.360 nan 0.000 0.556 672 D N -0.418 119.864 120.400 -0.197 0.000 2.708 672 D HA -0.162 4.478 4.640 -0.000 0.000 0.236 672 D C -0.598 175.642 176.300 -0.100 0.000 1.146 672 D CA 1.221 55.141 54.000 -0.134 0.000 0.662 672 D CB -1.553 39.162 40.800 -0.141 0.000 1.059 672 D HN 0.333 nan 8.370 nan 0.000 0.428 673 S N -0.069 115.624 115.700 -0.011 0.000 3.513 673 S HA 0.320 4.790 4.470 -0.000 0.000 0.209 673 S C 0.009 174.663 174.600 0.091 0.000 1.446 673 S CA 0.331 58.621 58.200 0.149 0.000 1.150 673 S CB -0.476 62.887 63.200 0.272 0.000 1.266 673 S HN 0.303 nan 8.310 nan 0.000 0.502 674 S N 0.950 116.686 115.700 0.059 0.000 3.968 674 S HA -0.129 4.341 4.470 -0.000 0.000 0.373 674 S C 0.966 175.591 174.600 0.041 0.000 0.974 674 S CA 0.538 58.769 58.200 0.051 0.000 1.124 674 S CB -1.953 61.284 63.200 0.061 0.000 0.862 674 S HN 1.785 nan 8.310 nan 0.000 0.492 675 G N 0.044 108.859 108.800 0.025 0.000 2.153 675 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 675 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 675 G C -0.235 174.679 174.900 0.024 0.000 0.994 675 G CA 1.258 46.372 45.100 0.023 0.000 0.698 675 G HN 1.402 nan 8.290 nan 0.000 0.521 676 K N -1.527 118.886 120.400 0.021 0.000 2.512 676 K HA 0.826 5.146 4.320 -0.000 0.000 0.263 676 K C -0.809 175.792 176.600 0.002 0.000 0.966 676 K CA -0.521 55.779 56.287 0.022 0.000 0.851 676 K CB 1.692 34.212 32.500 0.034 0.000 1.395 676 K HN 0.403 nan 8.250 nan 0.000 0.440 677 S N 1.658 117.357 115.700 -0.003 0.000 2.519 677 S HA 0.650 5.120 4.470 -0.000 0.000 0.309 677 S C -0.374 174.195 174.600 -0.052 0.000 1.100 677 S CA -0.931 57.234 58.200 -0.059 0.000 1.059 677 S CB 0.070 63.258 63.200 -0.020 0.000 1.008 677 S HN 0.651 nan 8.310 nan 0.000 0.478 678 I N 2.489 122.995 120.570 -0.108 0.000 2.982 678 I HA 0.721 4.891 4.170 -0.000 0.000 0.312 678 I C -1.427 174.511 176.117 -0.298 0.000 1.041 678 I CA -1.196 59.992 61.300 -0.187 0.000 1.053 678 I CB 1.862 39.715 38.000 -0.246 0.000 1.248 678 I HN 0.607 nan 8.210 nan 0.000 0.471 679 L N 3.531 124.551 121.223 -0.338 0.000 2.491 679 L HA 0.486 4.826 4.340 -0.000 0.000 0.267 679 L C -1.691 175.067 176.870 -0.187 0.000 0.971 679 L CA -0.394 54.346 54.840 -0.166 0.000 0.857 679 L CB 1.632 43.720 42.059 0.048 0.000 1.226 679 L HN 0.554 nan 8.230 nan 0.000 0.408 680 Y N 3.811 124.218 120.300 0.180 0.000 2.323 680 Y HA 0.586 5.136 4.550 0.000 0.000 0.331 680 Y C 0.051 176.074 175.900 0.206 0.000 1.092 680 Y CA -0.837 57.344 58.100 0.136 0.000 1.150 680 Y CB 1.742 40.257 38.460 0.092 0.000 1.200 680 Y HN 0.153 nan 8.280 nan 0.000 0.472 681 V N 3.732 123.828 119.914 0.303 0.000 2.540 681 V HA 0.244 4.364 4.120 -0.000 0.000 0.302 681 V C -0.393 175.816 176.094 0.192 0.000 1.035 681 V CA -1.259 61.201 62.300 0.267 0.000 0.873 681 V CB 1.961 33.888 31.823 0.174 0.000 0.992 681 V HN 0.600 nan 8.190 nan 0.000 0.428 682 V N 5.465 125.492 119.914 0.189 0.000 2.458 682 V HA 0.030 4.150 4.120 -0.000 0.000 0.287 682 V C 1.577 177.733 176.094 0.102 0.000 1.009 682 V CA 0.822 63.195 62.300 0.121 0.000 1.091 682 V CB 0.937 32.823 31.823 0.104 0.000 0.960 682 V HN 1.137 nan 8.190 nan 0.000 0.476 683 E N 4.351 124.591 120.200 0.067 0.000 2.418 683 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 683 E C 0.188 176.819 176.600 0.052 0.000 1.026 683 E CA 0.712 57.140 56.400 0.046 0.000 0.862 683 E CB 0.197 29.910 29.700 0.022 0.000 0.799 683 E HN 0.686 nan 8.360 nan 0.000 0.518 684 E N 2.222 122.455 120.200 0.054 0.000 2.546 684 E HA 0.259 4.609 4.350 -0.000 0.000 0.227 684 E C -2.339 174.292 176.600 0.051 0.000 1.009 684 E CA -2.224 54.205 56.400 0.048 0.000 0.813 684 E CB 1.149 30.868 29.700 0.031 0.000 1.269 684 E HN 0.207 nan 8.360 nan 0.000 0.432 685 P HA -0.070 nan 4.420 nan 0.000 0.267 685 P C -0.254 177.053 177.300 0.011 0.000 1.201 685 P CA 0.365 63.488 63.100 0.039 0.000 0.775 685 P CB 0.699 32.429 31.700 0.049 0.000 0.854 686 E N 1.157 121.350 120.200 -0.012 0.000 2.194 686 E HA 0.298 4.648 4.350 -0.000 0.000 0.284 686 E C -0.668 175.917 176.600 -0.024 0.000 1.035 686 E CA -0.338 56.053 56.400 -0.014 0.000 0.836 686 E CB 0.441 30.132 29.700 -0.016 0.000 1.070 686 E HN 0.379 nan 8.360 nan 0.000 0.401 687 c N 3.452 122.042 118.600 -0.015 0.000 2.848 687 c HA 0.517 5.087 4.570 -0.000 0.000 0.317 687 c C -1.978 172.104 174.090 -0.014 0.000 1.260 687 c CA -1.553 54.764 56.329 -0.019 0.000 1.656 687 c CB 1.046 43.549 42.510 -0.012 0.000 2.174 687 c HN 0.694 nan 8.230 nan 0.000 0.479 688 P HA 0.187 nan 4.420 nan 0.000 0.269 688 P C -1.256 176.040 177.300 -0.006 0.000 1.217 688 P CA 0.192 63.286 63.100 -0.010 0.000 0.783 688 P CB 0.365 32.058 31.700 -0.011 0.000 0.898 689 K N 0.762 121.159 120.400 -0.005 0.000 2.521 689 K HA 0.499 4.819 4.320 -0.000 0.000 0.248 689 K C 0.387 176.986 176.600 -0.002 0.000 0.978 689 K CA -0.439 55.847 56.287 -0.003 0.000 0.947 689 K CB 1.434 33.933 32.500 -0.002 0.000 1.165 689 K HN 0.578 nan 8.250 nan 0.000 0.445 690 G N 2.647 111.446 108.800 -0.001 0.000 2.539 690 G HA2 0.239 4.199 3.960 -0.000 0.000 0.258 690 G HA3 0.239 4.199 3.960 -0.000 0.000 0.258 690 G C -2.086 172.814 174.900 -0.000 0.000 1.202 690 G CA -1.228 43.872 45.100 -0.001 0.000 0.851 690 G HN 0.312 nan 8.290 nan 0.000 0.556 691 P HA 0.023 nan 4.420 nan 0.000 0.249 691 P C -0.639 176.662 177.300 0.001 0.000 1.140 691 P CA 0.857 63.957 63.100 0.000 0.000 0.803 691 P CB 0.444 32.145 31.700 0.000 0.000 0.745 692 D N 2.238 122.638 120.400 0.001 0.000 2.895 692 D HA 0.157 4.797 4.640 -0.000 0.000 0.350 692 D C -0.116 176.184 176.300 0.001 0.000 1.389 692 D CA -0.297 53.704 54.000 0.001 0.000 0.812 692 D CB -0.416 40.384 40.800 0.001 0.000 1.164 692 D HN 0.269 nan 8.370 nan 0.000 0.455 693 I N 1.627 122.197 120.570 0.001 0.000 2.270 693 I HA 0.137 4.307 4.170 -0.000 0.000 0.294 693 I C 0.627 176.745 176.117 0.001 0.000 1.164 693 I CA 0.282 61.582 61.300 0.001 0.000 1.680 693 I CB -0.263 37.737 38.000 0.000 0.000 1.494 693 I HN 0.339 nan 8.210 nan 0.000 0.767 694 L N 2.897 124.121 121.223 0.001 0.000 5.051 694 L HA -0.258 4.082 4.340 -0.000 0.000 0.432 694 L C -0.710 176.161 176.870 0.001 0.000 1.055 694 L CA 0.746 55.587 54.840 0.001 0.000 1.095 694 L CB -0.804 41.255 42.059 0.001 0.000 1.957 694 L HN 0.390 nan 8.230 nan 0.000 0.727 695 V N 0.000 119.915 119.914 0.001 0.000 2.409 695 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 695 V CA 0.000 62.301 62.300 0.001 0.000 1.235 695 V CB 0.000 31.824 31.823 0.001 0.000 1.184 695 V HN 0.000 nan 8.190 nan 0.000 0.556