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 3lpp_1_D DATA FIRST_RESID 34 DATA SEQUENCE LNDPVNVRIN cIPEQFPTEG IcAQRGcCWR PWNDSLIPWc FFVDNHGYNV DATA SEQUENCE QDMTTTSIGV EAKLNRIPSP TLFGNDINSV LFTTQNQTPN RFRFKITDPN DATA SEQUENCE NRRYEVPHQY VKEFTGPTVS DTLYDVKVAQ NPFSIQVIRK SNGKTLFDTS DATA SEQUENCE IGPLVYSDQY LQISARLPSD YIYGIGEQVH KRFRHDLSWK TWPIFTRDQL DATA SEQUENCE PGDNNNNLYG HQTFFMCIED TSGKSFGVFL MNSNAMEIFI QPTPIVTYRV DATA SEQUENCE TGGILDFYIL LGDTPEQVVQ QYQQLVGLPA MPAYWNLGFQ LSRWNYKSLD DATA SEQUENCE VVKEVVRRNR EAGIPFDTQV TDIDYMEDKK DFTYDQVAFN GLPQFVQDLH DATA SEQUENCE DHGQKYVIIL DPAISIGRRX XXXXYATYER GNTQHVWINE SDGSTPIIGE DATA SEQUENCE VWPGLTVYPD FTNPNCIDWW ANECSIFHQE VQYDGLWIDM NEVSSFIQGS DATA SEQUENCE TKGCNVNKLN YPPFTPDILD KLMYSKTICM DAVQNWGKQY DVHSLYGYSM DATA SEQUENCE AIATEQAVQK VFPNKRSFIL TRSTFAGSGR HAAHWLGDNT ASWEQMEWSI DATA SEQUENCE TGMLEFSLFG IPLVGADIcG FVAETTEELc RRWMQLGAFY PFSRNHNSDG DATA SEQUENCE YEHQDPAFFG QNSLLVKSSR QYLTIRYTLL PFLYTLFYKA HVFGETVARP DATA SEQUENCE VLHEFYEDTN SWIEDTEFLW GPALLITPVL KQGADTVSAY IPDAIWYDYE DATA SEQUENCE SGAKRPWRKQ RVDMYLPADK IGLHLRGGYI IPIQEPDVTT TASRKNPLGL DATA SEQUENCE IVALGENNTA KGDFFWDDGE TKDTIQNGNY ILYTFSVSNN TLDIVCTHSS DATA SEQUENCE YQEGTTLAFQ TVKILGLTDS VTEVRVAEXX XXXXXHSNFT YDASNQVLLI DATA SEQUENCE ADLKLNLGRN FSVQW 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.920 176.870 0.083 0.000 1.165 34 L CA 0.000 54.878 54.840 0.063 0.000 0.813 34 L CB 0.000 42.087 42.059 0.047 0.000 0.961 35 N N 2.278 121.017 118.700 0.066 0.000 2.558 35 N HA 0.221 4.961 4.740 -0.000 0.000 0.281 35 N C -0.171 175.343 175.510 0.005 0.000 1.219 35 N CA 0.142 53.237 53.050 0.075 0.000 0.942 35 N CB -0.256 38.278 38.487 0.078 0.000 1.241 35 N HN 0.820 nan 8.380 nan 0.000 0.511 36 D N -0.230 120.145 120.400 -0.042 0.000 2.423 36 D HA 0.020 4.659 4.640 -0.000 0.000 0.238 36 D C -2.163 174.019 176.300 -0.196 0.000 1.142 36 D CA -1.004 52.936 54.000 -0.101 0.000 0.884 36 D CB 0.466 41.204 40.800 -0.104 0.000 1.199 36 D HN 0.201 nan 8.370 nan 0.000 0.438 37 P HA -0.054 nan 4.420 nan 0.000 0.259 37 P C 1.331 178.468 177.300 -0.271 0.000 1.211 37 P CA -0.261 62.737 63.100 -0.170 0.000 0.810 37 P CB 0.705 32.344 31.700 -0.102 0.000 0.815 38 V N 1.296 120.981 119.914 -0.381 0.000 2.667 38 V HA -0.192 3.928 4.120 -0.000 0.000 0.252 38 V C 1.606 177.605 176.094 -0.158 0.000 1.065 38 V CA 1.395 63.389 62.300 -0.509 0.000 1.083 38 V CB -1.505 29.738 31.823 -0.967 0.000 0.692 38 V HN 0.310 nan 8.190 nan 0.000 0.468 39 N N 0.184 118.864 118.700 -0.033 0.000 2.550 39 N HA 0.024 4.764 4.740 -0.000 0.000 0.186 39 N C 1.238 176.737 175.510 -0.018 0.000 1.110 39 N CA 0.831 53.924 53.050 0.071 0.000 0.912 39 N CB 0.255 38.728 38.487 -0.023 0.000 0.968 39 N HN 0.429 nan 8.380 nan 0.000 0.448 40 V N 0.675 120.561 119.914 -0.047 0.000 3.578 40 V HA 0.106 4.226 4.120 -0.000 0.000 0.290 40 V C 0.522 176.600 176.094 -0.026 0.000 1.376 40 V CA 0.069 62.338 62.300 -0.052 0.000 1.083 40 V CB -0.068 31.713 31.823 -0.069 0.000 0.911 40 V HN 0.168 nan 8.190 nan 0.000 0.433 41 R N 0.565 121.027 120.500 -0.062 0.000 2.401 41 R HA 0.347 4.687 4.340 -0.000 0.000 0.299 41 R C -0.888 175.500 176.300 0.146 0.000 1.064 41 R CA 0.054 56.089 56.100 -0.109 0.000 1.000 41 R CB 0.645 30.670 30.300 -0.457 0.000 0.973 41 R HN 0.187 nan 8.270 nan 0.000 0.438 42 I N 2.757 123.469 120.570 0.237 0.000 2.339 42 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 42 I C 0.229 176.530 176.117 0.307 0.000 0.994 42 I CA -0.563 60.928 61.300 0.319 0.000 1.191 42 I CB 1.204 39.429 38.000 0.376 0.000 1.343 42 I HN 0.428 nan 8.210 nan 0.000 0.458 43 N N 4.707 123.509 118.700 0.169 0.000 2.452 43 N HA -0.057 4.683 4.740 -0.000 0.000 0.266 43 N C 0.723 176.145 175.510 -0.146 0.000 1.209 43 N CA 0.255 53.301 53.050 -0.006 0.000 0.929 43 N CB 0.914 39.340 38.487 -0.101 0.000 1.063 43 N HN 0.818 nan 8.380 nan 0.000 0.472 44 c N 4.415 122.726 118.600 -0.481 0.000 2.563 44 c HA 0.341 4.911 4.570 -0.000 0.000 0.268 44 c C 0.860 174.713 174.090 -0.395 0.000 1.365 44 c CA -0.154 55.648 56.329 -0.879 0.000 1.754 44 c CB -0.826 40.978 42.510 -1.176 0.000 1.932 44 c HN 0.698 nan 8.230 nan 0.000 0.536 45 I N 2.466 122.900 120.570 -0.227 0.000 2.778 45 I HA 0.254 4.424 4.170 -0.000 0.000 0.285 45 I C -1.668 174.414 176.117 -0.059 0.000 1.236 45 I CA -1.182 60.041 61.300 -0.128 0.000 1.089 45 I CB 0.924 38.860 38.000 -0.106 0.000 1.601 45 I HN 0.117 nan 8.210 nan 0.000 0.573 46 P HA -0.116 nan 4.420 nan 0.000 0.227 46 P C 0.989 178.372 177.300 0.137 0.000 1.161 46 P CA 1.179 64.305 63.100 0.042 0.000 0.788 46 P CB 0.317 32.088 31.700 0.118 0.000 0.822 47 E N 0.883 121.226 120.200 0.239 0.000 2.452 47 E HA -0.012 4.338 4.350 -0.000 0.000 0.197 47 E C 0.685 177.357 176.600 0.121 0.000 1.022 47 E CA 0.271 56.821 56.400 0.249 0.000 0.890 47 E CB 0.082 30.028 29.700 0.410 0.000 0.918 47 E HN 0.449 nan 8.360 nan 0.000 0.496 48 Q N -0.766 119.088 119.800 0.091 0.000 2.553 48 Q HA 0.374 4.714 4.340 -0.000 0.000 0.293 48 Q C -1.164 174.880 176.000 0.073 0.000 1.038 48 Q CA -1.063 54.791 55.803 0.084 0.000 0.777 48 Q CB 0.686 29.477 28.738 0.088 0.000 1.487 48 Q HN -0.053 nan 8.270 nan 0.000 0.426 49 F N 3.576 123.500 119.950 -0.044 0.000 2.578 49 F HA 0.237 4.764 4.527 -0.000 0.000 0.381 49 F C -1.970 173.815 175.800 -0.025 0.000 1.069 49 F CA -1.515 56.441 58.000 -0.075 0.000 1.231 49 F CB 0.671 39.637 39.000 -0.056 0.000 1.086 49 F HN 0.373 nan 8.300 nan 0.000 0.564 50 P HA 0.168 nan 4.420 nan 0.000 0.271 50 P C -0.981 176.313 177.300 -0.010 0.000 1.216 50 P CA -0.176 62.799 63.100 -0.208 0.000 0.771 50 P CB 1.012 32.625 31.700 -0.145 0.000 0.864 51 T N -1.925 112.615 114.554 -0.022 0.000 2.906 51 T HA 0.255 4.605 4.350 -0.000 0.000 0.295 51 T C 0.889 175.122 174.700 -0.779 0.000 1.075 51 T CA -0.729 61.229 62.100 -0.237 0.000 1.005 51 T CB 2.104 70.906 68.868 -0.109 0.000 1.136 51 T HN 0.419 nan 8.240 nan 0.000 0.498 52 E N 1.227 120.651 120.200 -1.294 0.000 2.150 52 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 52 E C 2.070 178.257 176.600 -0.689 0.000 0.985 52 E CA 1.369 56.824 56.400 -1.575 0.000 0.814 52 E CB -0.757 28.050 29.700 -1.489 0.000 0.752 52 E HN 0.890 nan 8.360 nan 0.000 0.466 53 G N 1.567 110.103 108.800 -0.440 0.000 2.421 53 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 53 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 53 G C 1.524 176.297 174.900 -0.212 0.000 1.171 53 G CA 0.636 45.581 45.100 -0.259 0.000 0.775 53 G HN 0.208 nan 8.290 nan 0.000 0.543 54 I N 0.576 121.023 120.570 -0.204 0.000 2.394 54 I HA -0.087 4.082 4.170 -0.000 0.000 0.251 54 I C 2.863 178.879 176.117 -0.169 0.000 1.136 54 I CA 0.380 61.586 61.300 -0.157 0.000 1.425 54 I CB -1.141 36.785 38.000 -0.123 0.000 1.079 54 I HN 0.239 nan 8.210 nan 0.000 0.425 55 c N 0.999 119.475 118.600 -0.206 0.000 2.453 55 c HA -0.076 4.494 4.570 -0.000 0.000 0.277 55 c C 3.207 177.212 174.090 -0.141 0.000 1.262 55 c CA 1.119 57.354 56.329 -0.157 0.000 1.718 55 c CB -1.015 41.449 42.510 -0.078 0.000 2.031 55 c HN 0.574 nan 8.230 nan 0.000 0.480 56 A N -0.478 122.241 122.820 -0.168 0.000 1.883 56 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 56 A C 2.164 179.695 177.584 -0.088 0.000 1.186 56 A CA 2.130 54.094 52.037 -0.121 0.000 0.624 56 A CB -1.031 17.886 19.000 -0.138 0.000 0.822 56 A HN 0.817 nan 8.150 nan 0.000 0.444 57 Q N -0.582 119.158 119.800 -0.098 0.000 2.135 57 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 57 Q C 1.969 177.937 176.000 -0.053 0.000 0.981 57 Q CA 1.601 57.359 55.803 -0.075 0.000 0.856 57 Q CB -0.076 28.611 28.738 -0.084 0.000 0.902 57 Q HN 0.661 nan 8.270 nan 0.000 0.425 58 R N -1.043 119.420 120.500 -0.062 0.000 2.310 58 R HA 0.097 4.437 4.340 -0.000 0.000 0.202 58 R C 0.748 177.120 176.300 0.120 0.000 0.933 58 R CA 0.501 56.594 56.100 -0.012 0.000 1.054 58 R CB 0.378 30.605 30.300 -0.122 0.000 0.985 58 R HN 0.441 nan 8.270 nan 0.000 0.489 59 G N 0.935 109.763 108.800 0.045 0.000 2.225 59 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 59 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 59 G C 0.081 175.035 174.900 0.089 0.000 1.060 59 G CA 0.053 45.194 45.100 0.068 0.000 0.833 59 G HN 0.336 nan 8.290 nan 0.000 0.498 60 c N -1.378 117.206 118.600 -0.027 0.000 2.656 60 c HA 0.829 5.399 4.570 -0.000 0.000 0.404 60 c C 1.162 175.139 174.090 -0.190 0.000 1.423 60 c CA -0.328 55.919 56.329 -0.138 0.000 1.784 60 c CB 1.696 44.012 42.510 -0.324 0.000 2.093 60 c HN 0.843 nan 8.230 nan 0.000 0.492 61 C N 2.108 121.168 119.300 -0.400 0.000 2.295 61 C HA 0.571 5.031 4.460 -0.000 0.000 0.331 61 C C -0.433 174.285 174.990 -0.453 0.000 1.280 61 C CA -0.493 58.231 59.018 -0.490 0.000 1.746 61 C CB -0.673 26.569 27.740 -0.830 0.000 2.328 61 C HN 0.884 nan 8.230 nan 0.000 0.521 62 W N 7.618 128.722 121.300 -0.327 0.000 2.283 62 W HA 0.549 5.209 4.660 -0.000 0.000 0.317 62 W C -0.345 176.141 176.519 -0.056 0.000 1.042 62 W CA -0.541 56.705 57.345 -0.164 0.000 1.348 62 W CB 0.607 30.006 29.460 -0.103 0.000 1.216 62 W HN 0.740 nan 8.180 nan 0.000 0.404 63 R N 6.688 126.960 120.500 -0.380 0.000 2.734 63 R HA 0.322 4.662 4.340 -0.000 0.000 0.268 63 R C -2.684 173.348 176.300 -0.447 0.000 1.785 63 R CA -1.575 54.358 56.100 -0.278 0.000 1.461 63 R CB 0.915 31.302 30.300 0.145 0.000 1.308 63 R HN 0.109 nan 8.270 nan 0.000 0.586 64 P HA -0.018 nan 4.420 nan 0.000 0.266 64 P C -0.827 176.033 177.300 -0.734 0.000 1.195 64 P CA -0.057 62.270 63.100 -1.289 0.000 0.768 64 P CB 0.525 31.438 31.700 -1.313 0.000 0.838 65 W N 3.064 123.686 121.300 -1.129 0.000 2.804 65 W HA 0.162 4.822 4.660 -0.000 0.000 0.352 65 W C 0.512 176.857 176.519 -0.289 0.000 1.153 65 W CA -0.715 56.373 57.345 -0.430 0.000 1.119 65 W CB 1.662 31.053 29.460 -0.114 0.000 1.448 65 W HN 0.319 nan 8.180 nan 0.000 0.600 66 N N 1.365 119.649 118.700 -0.694 0.000 2.362 66 N HA 0.030 4.770 4.740 -0.000 0.000 0.211 66 N C -1.131 174.322 175.510 -0.095 0.000 1.170 66 N CA 0.367 53.161 53.050 -0.426 0.000 0.828 66 N CB -0.095 38.052 38.487 -0.567 0.000 1.034 66 N HN 0.158 nan 8.380 nan 0.000 0.475 67 D N -1.864 118.656 120.400 0.200 0.000 2.927 67 D HA 0.275 4.915 4.640 -0.000 0.000 0.219 67 D C -0.320 176.202 176.300 0.370 0.000 1.248 67 D CA -0.502 53.659 54.000 0.268 0.000 0.861 67 D CB 2.024 42.998 40.800 0.290 0.000 1.677 67 D HN -0.144 nan 8.370 nan 0.000 0.511 68 S N 1.248 117.036 115.700 0.146 0.000 2.496 68 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 68 S C 1.921 176.355 174.600 -0.276 0.000 0.996 68 S CA 0.190 58.313 58.200 -0.127 0.000 0.927 68 S CB 0.026 63.199 63.200 -0.045 0.000 0.774 68 S HN 0.457 nan 8.310 nan 0.000 0.524 69 L N 0.612 121.694 121.223 -0.236 0.000 2.046 69 L HA -0.010 4.329 4.340 -0.000 0.000 0.208 69 L C 0.235 176.517 176.870 -0.980 0.000 1.077 69 L CA 0.611 55.171 54.840 -0.468 0.000 0.747 69 L CB -0.409 41.391 42.059 -0.433 0.000 0.896 69 L HN 0.224 nan 8.230 nan 0.000 0.432 70 I N 0.494 120.553 120.570 -0.852 0.000 2.496 70 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 70 I C -2.041 173.773 176.117 -0.503 0.000 1.080 70 I CA -2.284 58.452 61.300 -0.940 0.000 1.404 70 I CB 0.084 37.752 38.000 -0.555 0.000 1.403 70 I HN -0.227 nan 8.210 nan 0.000 0.539 71 P HA -0.065 nan 4.420 nan 0.000 0.262 71 P C -0.234 177.119 177.300 0.089 0.000 1.199 71 P CA 0.051 63.041 63.100 -0.183 0.000 0.763 71 P CB 0.171 31.840 31.700 -0.051 0.000 0.790 72 W N 2.047 123.253 121.300 -0.156 0.000 2.737 72 W HA 0.147 4.807 4.660 -0.000 0.000 0.262 72 W C 0.585 177.042 176.519 -0.104 0.000 1.282 72 W CA -0.224 56.976 57.345 -0.241 0.000 1.386 72 W CB -0.623 28.508 29.460 -0.548 0.000 1.099 72 W HN 0.250 nan 8.180 nan 0.000 0.621 73 c N 2.578 121.330 118.600 0.253 0.000 2.340 73 c HA 0.702 5.272 4.570 -0.000 0.000 0.323 73 c C -0.499 173.587 174.090 -0.006 0.000 1.260 73 c CA -0.896 55.503 56.329 0.117 0.000 1.464 73 c CB -1.456 41.155 42.510 0.168 0.000 2.156 73 c HN 0.105 nan 8.230 nan 0.000 0.476 74 F N 2.942 122.788 119.950 -0.172 0.000 2.662 74 F HA 0.802 5.329 4.527 -0.000 0.000 0.312 74 F C -1.277 174.374 175.800 -0.249 0.000 1.113 74 F CA -1.588 56.265 58.000 -0.246 0.000 0.951 74 F CB 0.466 39.416 39.000 -0.083 0.000 1.344 74 F HN 0.375 nan 8.300 nan 0.000 0.462 75 F N 0.981 121.026 119.950 0.159 0.000 2.429 75 F HA 0.549 5.076 4.527 -0.000 0.000 0.348 75 F C 0.298 176.190 175.800 0.153 0.000 1.109 75 F CA -0.727 57.321 58.000 0.079 0.000 1.232 75 F CB 1.353 40.395 39.000 0.071 0.000 1.157 75 F HN 0.294 nan 8.300 nan 0.000 0.564 76 V N 2.013 122.092 119.914 0.276 0.000 2.405 76 V HA 0.273 4.393 4.120 -0.000 0.000 0.253 76 V C 0.366 176.557 176.094 0.161 0.000 0.963 76 V CA 0.208 62.631 62.300 0.204 0.000 1.003 76 V CB -0.202 31.700 31.823 0.131 0.000 1.251 76 V HN 1.004 nan 8.190 nan 0.000 0.520 77 D N 0.601 121.099 120.400 0.164 0.000 3.028 77 D HA -0.429 4.211 4.640 -0.000 0.000 0.211 77 D C 1.152 177.520 176.300 0.113 0.000 1.136 77 D CA 2.620 56.687 54.000 0.111 0.000 0.987 77 D CB -1.917 38.925 40.800 0.070 0.000 1.128 77 D HN 0.900 nan 8.370 nan 0.000 0.406 78 N N -1.050 117.751 118.700 0.169 0.000 2.270 78 N HA 0.213 4.953 4.740 -0.000 0.000 0.181 78 N C 1.048 176.608 175.510 0.083 0.000 1.016 78 N CA 1.767 54.895 53.050 0.130 0.000 0.870 78 N CB -0.245 38.335 38.487 0.154 0.000 0.979 78 N HN 0.921 nan 8.380 nan 0.000 0.431 79 H N -2.242 116.884 119.070 0.092 0.000 2.525 79 H HA 0.735 5.291 4.556 -0.000 0.000 0.340 79 H C 0.972 176.281 175.328 -0.031 0.000 1.168 79 H CA 0.314 56.378 56.048 0.027 0.000 1.247 79 H CB 1.598 31.387 29.762 0.046 0.000 1.568 79 H HN 0.658 nan 8.280 nan 0.000 0.536 80 G N -0.389 108.449 108.800 0.064 0.000 2.320 80 G HA2 0.082 4.041 3.960 -0.000 0.000 0.274 80 G HA3 0.082 4.041 3.960 -0.000 0.000 0.274 80 G C -2.107 172.806 174.900 0.022 0.000 1.324 80 G CA -0.914 44.254 45.100 0.113 0.000 0.957 80 G HN 0.409 nan 8.290 nan 0.000 0.481 81 Y N 0.086 120.432 120.300 0.077 0.000 2.576 81 Y HA 0.709 5.258 4.550 -0.000 0.000 0.346 81 Y C 0.142 176.085 175.900 0.072 0.000 1.018 81 Y CA -1.026 57.105 58.100 0.052 0.000 1.050 81 Y CB 2.440 40.904 38.460 0.008 0.000 1.280 81 Y HN 0.534 nan 8.280 nan 0.000 0.474 82 N N -0.007 118.800 118.700 0.179 0.000 2.370 82 N HA 0.488 5.228 4.740 -0.000 0.000 0.303 82 N C -1.436 174.139 175.510 0.109 0.000 1.103 82 N CA -0.631 52.494 53.050 0.125 0.000 0.848 82 N CB 2.306 40.829 38.487 0.059 0.000 1.235 82 N HN 0.261 nan 8.380 nan 0.000 0.496 83 V N 2.945 122.919 119.914 0.100 0.000 2.408 83 V HA 0.106 4.226 4.120 -0.000 0.000 0.267 83 V C 1.009 177.131 176.094 0.047 0.000 1.047 83 V CA -0.152 62.187 62.300 0.064 0.000 0.937 83 V CB 1.146 33.024 31.823 0.091 0.000 0.999 83 V HN 0.516 nan 8.190 nan 0.000 0.472 84 Q N 1.977 121.797 119.800 0.033 0.000 2.339 84 Q HA 0.251 4.591 4.340 -0.000 0.000 0.205 84 Q C 0.051 176.066 176.000 0.024 0.000 0.925 84 Q CA 0.444 56.262 55.803 0.026 0.000 0.898 84 Q CB 0.486 29.236 28.738 0.020 0.000 1.013 84 Q HN 0.802 nan 8.270 nan 0.000 0.504 85 D N -0.460 119.956 120.400 0.027 0.000 2.836 85 D HA 0.372 5.012 4.640 -0.000 0.000 0.215 85 D C -1.365 174.959 176.300 0.039 0.000 1.255 85 D CA -0.259 53.758 54.000 0.029 0.000 0.822 85 D CB 1.504 42.316 40.800 0.021 0.000 1.656 85 D HN -0.003 nan 8.370 nan 0.000 0.511 86 M N 0.594 120.222 119.600 0.047 0.000 2.446 86 M HA 0.720 5.200 4.480 -0.000 0.000 0.294 86 M C -1.473 174.860 176.300 0.055 0.000 1.158 86 M CA -0.376 54.962 55.300 0.065 0.000 0.899 86 M CB 2.602 35.263 32.600 0.101 0.000 1.687 86 M HN 0.161 nan 8.290 nan 0.000 0.455 87 T N 1.036 115.622 114.554 0.053 0.000 2.907 87 T HA 0.612 4.961 4.350 -0.000 0.000 0.292 87 T C -0.999 173.728 174.700 0.045 0.000 1.043 87 T CA -0.296 61.827 62.100 0.040 0.000 1.003 87 T CB 1.978 70.861 68.868 0.025 0.000 1.084 87 T HN 0.805 nan 8.240 nan 0.000 0.483 88 T N 3.112 117.689 114.554 0.039 0.000 2.767 88 T HA 0.555 4.905 4.350 -0.000 0.000 0.284 88 T C 0.462 175.181 174.700 0.033 0.000 0.973 88 T CA -0.577 61.549 62.100 0.042 0.000 0.996 88 T CB 0.966 69.860 68.868 0.043 0.000 0.927 88 T HN 0.821 nan 8.240 nan 0.000 0.456 89 T N -0.620 113.955 114.554 0.035 0.000 2.884 89 T HA 0.358 4.707 4.350 -0.000 0.000 0.277 89 T C 1.700 176.423 174.700 0.039 0.000 0.976 89 T CA -0.256 61.861 62.100 0.028 0.000 0.956 89 T CB 0.984 69.865 68.868 0.022 0.000 1.113 89 T HN 0.412 nan 8.240 nan 0.000 0.554 90 S N -0.637 115.082 115.700 0.031 0.000 2.522 90 S HA 0.065 4.535 4.470 -0.000 0.000 0.227 90 S C 1.465 176.110 174.600 0.075 0.000 0.986 90 S CA 0.179 58.402 58.200 0.038 0.000 0.929 90 S CB -0.840 62.368 63.200 0.013 0.000 0.769 90 S HN 0.646 nan 8.310 nan 0.000 0.529 91 I N 0.386 121.014 120.570 0.096 0.000 4.035 91 I HA 0.429 4.599 4.170 -0.000 0.000 0.321 91 I C 1.509 177.735 176.117 0.182 0.000 1.289 91 I CA 0.537 61.951 61.300 0.190 0.000 1.236 91 I CB 0.788 38.899 38.000 0.185 0.000 1.076 91 I HN 0.559 nan 8.210 nan 0.000 0.418 92 G N 0.027 108.900 108.800 0.121 0.000 2.458 92 G HA2 0.212 4.172 3.960 -0.000 0.000 0.066 92 G HA3 0.212 4.172 3.960 -0.000 0.000 0.066 92 G C -1.443 173.509 174.900 0.087 0.000 0.986 92 G CA 0.063 45.236 45.100 0.122 0.000 1.131 92 G HN -0.145 nan 8.290 nan 0.000 0.453 93 V N 0.496 120.447 119.914 0.062 0.000 3.114 93 V HA 0.803 4.923 4.120 -0.000 0.000 0.308 93 V C -1.526 174.561 176.094 -0.011 0.000 1.168 93 V CA -0.571 61.765 62.300 0.060 0.000 1.015 93 V CB 2.110 34.016 31.823 0.138 0.000 1.050 93 V HN 0.766 nan 8.190 nan 0.000 0.433 94 E N 2.443 122.656 120.200 0.022 0.000 2.275 94 E HA 0.766 5.115 4.350 -0.000 0.000 0.270 94 E C -1.165 175.478 176.600 0.073 0.000 0.882 94 E CA -0.606 55.791 56.400 -0.005 0.000 0.758 94 E CB 2.182 31.866 29.700 -0.027 0.000 1.195 94 E HN 0.921 nan 8.360 nan 0.000 0.419 95 A N 3.095 125.989 122.820 0.124 0.000 2.393 95 A HA 0.498 4.817 4.320 -0.000 0.000 0.306 95 A C -0.949 176.656 177.584 0.035 0.000 1.050 95 A CA -0.750 51.362 52.037 0.124 0.000 0.724 95 A CB 1.316 20.451 19.000 0.225 0.000 1.248 95 A HN 0.504 nan 8.150 nan 0.000 0.424 96 K N 2.859 123.262 120.400 0.006 0.000 2.258 96 K HA 0.613 4.933 4.320 -0.000 0.000 0.284 96 K C -1.207 175.368 176.600 -0.041 0.000 1.051 96 K CA -0.241 56.030 56.287 -0.026 0.000 0.923 96 K CB 0.327 32.821 32.500 -0.009 0.000 1.046 96 K HN 0.657 nan 8.250 nan 0.000 0.474 97 L N 3.592 124.765 121.223 -0.084 0.000 2.334 97 L HA 0.457 4.797 4.340 -0.000 0.000 0.276 97 L C -0.642 176.298 176.870 0.117 0.000 1.014 97 L CA -1.099 53.715 54.840 -0.042 0.000 0.815 97 L CB 1.890 43.799 42.059 -0.249 0.000 1.268 97 L HN 0.705 nan 8.230 nan 0.000 0.428 98 N N 0.832 119.635 118.700 0.171 0.000 2.238 98 N HA 0.421 5.160 4.740 -0.000 0.000 0.302 98 N C -0.979 174.535 175.510 0.007 0.000 1.072 98 N CA -0.904 52.227 53.050 0.135 0.000 0.792 98 N CB 2.216 40.728 38.487 0.042 0.000 1.425 98 N HN 0.462 nan 8.380 nan 0.000 0.478 99 R N 1.964 122.316 120.500 -0.248 0.000 2.491 99 R HA 0.260 4.600 4.340 -0.000 0.000 0.283 99 R C -0.427 175.663 176.300 -0.350 0.000 1.072 99 R CA -0.308 55.358 56.100 -0.724 0.000 1.048 99 R CB 0.290 30.174 30.300 -0.695 0.000 0.983 99 R HN 0.550 nan 8.270 nan 0.000 0.450 100 I N 7.636 128.010 120.570 -0.327 0.000 2.587 100 I HA 0.039 4.208 4.170 -0.000 0.000 0.284 100 I C -1.404 174.588 176.117 -0.209 0.000 1.134 100 I CA -1.474 59.710 61.300 -0.193 0.000 1.410 100 I CB 0.923 38.840 38.000 -0.139 0.000 1.392 100 I HN 0.494 nan 8.210 nan 0.000 0.545 101 P HA 0.015 nan 4.420 nan 0.000 0.237 101 P C -0.235 176.972 177.300 -0.155 0.000 1.701 101 P CA -0.145 62.874 63.100 -0.136 0.000 0.955 101 P CB -0.603 31.043 31.700 -0.091 0.000 1.937 102 S N 0.749 116.306 115.700 -0.238 0.000 2.669 102 S HA 0.588 5.058 4.470 -0.000 0.000 0.270 102 S C -2.333 172.132 174.600 -0.224 0.000 1.225 102 S CA -1.504 56.499 58.200 -0.327 0.000 0.991 102 S CB -0.581 62.164 63.200 -0.759 0.000 0.987 102 S HN 0.032 nan 8.310 nan 0.000 0.552 103 P HA 0.213 nan 4.420 nan 0.000 0.270 103 P C -0.021 177.310 177.300 0.051 0.000 1.223 103 P CA -0.177 62.904 63.100 -0.032 0.000 0.785 103 P CB 0.136 31.839 31.700 0.005 0.000 0.923 104 T N 0.719 115.297 114.554 0.041 0.000 2.882 104 T HA 0.217 4.567 4.350 -0.000 0.000 0.287 104 T C 1.154 175.855 174.700 0.002 0.000 1.014 104 T CA -0.229 61.907 62.100 0.060 0.000 1.049 104 T CB 0.086 68.980 68.868 0.043 0.000 1.001 104 T HN 0.108 nan 8.240 nan 0.000 0.525 105 L N 2.010 123.191 121.223 -0.070 0.000 2.194 105 L HA 0.375 4.715 4.340 -0.000 0.000 0.197 105 L C 1.318 177.823 176.870 -0.609 0.000 1.106 105 L CA 1.193 55.767 54.840 -0.442 0.000 0.785 105 L CB -0.157 41.558 42.059 -0.574 0.000 0.960 105 L HN 0.691 nan 8.230 nan 0.000 0.465 106 F N -0.655 119.262 119.950 -0.055 0.000 2.688 106 F HA 0.528 5.055 4.527 -0.000 0.000 0.310 106 F C 0.910 176.736 175.800 0.043 0.000 1.098 106 F CA 0.057 58.038 58.000 -0.032 0.000 1.228 106 F CB 0.484 39.428 39.000 -0.093 0.000 1.042 106 F HN 0.132 nan 8.300 nan 0.000 0.557 107 G N 0.587 109.489 108.800 0.169 0.000 2.661 107 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.685 107 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.685 107 G C -0.336 174.659 174.900 0.158 0.000 1.298 107 G CA -0.771 44.413 45.100 0.139 0.000 0.855 107 G HN 0.376 nan 8.290 nan 0.000 0.560 108 N N 0.221 118.995 118.700 0.124 0.000 2.686 108 N HA -0.152 4.588 4.740 -0.000 0.000 0.261 108 N C -0.127 175.480 175.510 0.163 0.000 1.001 108 N CA 1.467 54.593 53.050 0.127 0.000 0.764 108 N CB -0.645 37.912 38.487 0.117 0.000 0.898 108 N HN 0.777 nan 8.380 nan 0.000 0.544 109 D N 0.423 120.921 120.400 0.163 0.000 2.399 109 D HA 0.153 4.793 4.640 -0.000 0.000 0.241 109 D C 0.738 177.166 176.300 0.214 0.000 1.133 109 D CA 0.243 54.368 54.000 0.208 0.000 0.890 109 D CB 0.886 41.785 40.800 0.165 0.000 1.201 109 D HN 0.261 nan 8.370 nan 0.000 0.432 110 I N 3.083 123.837 120.570 0.306 0.000 2.306 110 I HA 0.048 4.217 4.170 -0.000 0.000 0.288 110 I C 1.480 177.765 176.117 0.281 0.000 1.036 110 I CA -0.532 60.930 61.300 0.270 0.000 1.221 110 I CB 0.607 38.800 38.000 0.322 0.000 1.385 110 I HN 0.137 nan 8.210 nan 0.000 0.472 111 N N 2.900 121.706 118.700 0.176 0.000 2.270 111 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 111 N C 0.240 175.854 175.510 0.173 0.000 1.016 111 N CA 0.789 53.922 53.050 0.138 0.000 0.870 111 N CB 0.241 38.763 38.487 0.058 0.000 0.979 111 N HN 0.417 nan 8.380 nan 0.000 0.431 112 S N 0.451 116.224 115.700 0.121 0.000 2.478 112 S HA 0.546 5.016 4.470 -0.000 0.000 0.312 112 S C -0.426 174.163 174.600 -0.020 0.000 1.094 112 S CA -0.601 57.637 58.200 0.064 0.000 1.081 112 S CB 2.445 65.662 63.200 0.028 0.000 1.007 112 S HN -0.201 nan 8.310 nan 0.000 0.475 113 V N 3.604 123.452 119.914 -0.111 0.000 2.876 113 V HA 0.554 4.674 4.120 -0.000 0.000 0.312 113 V C -1.065 174.884 176.094 -0.242 0.000 1.085 113 V CA -0.834 61.284 62.300 -0.304 0.000 0.945 113 V CB 2.100 33.534 31.823 -0.649 0.000 1.017 113 V HN 0.701 nan 8.190 nan 0.000 0.428 114 L N 3.972 125.061 121.223 -0.224 0.000 2.280 114 L HA 0.583 4.923 4.340 -0.000 0.000 0.287 114 L C -0.902 175.906 176.870 -0.103 0.000 1.023 114 L CA -0.103 54.656 54.840 -0.135 0.000 0.819 114 L CB 0.969 42.968 42.059 -0.099 0.000 1.212 114 L HN 0.585 nan 8.230 nan 0.000 0.420 115 F N 4.663 124.477 119.950 -0.226 0.000 2.411 115 F HA 0.616 5.143 4.527 -0.000 0.000 0.355 115 F C -0.297 175.474 175.800 -0.049 0.000 1.117 115 F CA -0.028 57.877 58.000 -0.159 0.000 1.139 115 F CB 0.821 39.655 39.000 -0.278 0.000 1.120 115 F HN 0.509 nan 8.300 nan 0.000 0.493 116 T N 4.635 118.813 114.554 -0.626 0.000 2.848 116 T HA 0.387 4.737 4.350 -0.000 0.000 0.285 116 T C -0.541 173.773 174.700 -0.643 0.000 0.995 116 T CA -0.574 61.208 62.100 -0.531 0.000 0.970 116 T CB 1.603 70.314 68.868 -0.263 0.000 0.976 116 T HN 0.569 nan 8.240 nan 0.000 0.441 117 T N 3.447 117.711 114.554 -0.484 0.000 2.856 117 T HA 0.514 4.863 4.350 -0.000 0.000 0.283 117 T C -0.881 173.707 174.700 -0.187 0.000 1.008 117 T CA -0.660 61.241 62.100 -0.332 0.000 0.997 117 T CB 1.143 69.963 68.868 -0.080 0.000 0.992 117 T HN 0.512 nan 8.240 nan 0.000 0.454 118 Q N 2.804 122.429 119.800 -0.291 0.000 2.290 118 Q HA 0.344 4.684 4.340 -0.000 0.000 0.269 118 Q C -0.888 175.000 176.000 -0.186 0.000 1.016 118 Q CA -0.911 54.785 55.803 -0.179 0.000 0.754 118 Q CB 1.306 29.904 28.738 -0.234 0.000 1.247 118 Q HN 0.441 nan 8.270 nan 0.000 0.451 119 N N 3.240 121.984 118.700 0.074 0.000 2.466 119 N HA 0.001 4.740 4.740 -0.000 0.000 0.263 119 N C 0.326 175.795 175.510 -0.068 0.000 1.178 119 N CA 0.371 53.555 53.050 0.224 0.000 0.983 119 N CB 0.779 39.459 38.487 0.321 0.000 1.331 119 N HN 0.622 nan 8.380 nan 0.000 0.500 120 Q N 0.073 119.702 119.800 -0.284 0.000 2.061 120 Q HA -0.012 4.328 4.340 -0.000 0.000 0.195 120 Q C 0.655 176.568 176.000 -0.145 0.000 0.967 120 Q CA 0.925 56.328 55.803 -0.668 0.000 0.829 120 Q CB 0.236 28.573 28.738 -0.667 0.000 0.900 120 Q HN 0.628 nan 8.270 nan 0.000 0.450 121 T N -3.762 110.809 114.554 0.028 0.000 2.887 121 T HA 0.289 4.639 4.350 -0.000 0.000 0.292 121 T C -2.494 172.301 174.700 0.158 0.000 1.087 121 T CA -2.007 60.149 62.100 0.093 0.000 1.009 121 T CB 1.638 70.547 68.868 0.069 0.000 1.203 121 T HN -0.286 nan 8.240 nan 0.000 0.518 122 P HA -0.049 nan 4.420 nan 0.000 0.218 122 P C 1.022 178.409 177.300 0.144 0.000 1.146 122 P CA 1.078 64.198 63.100 0.033 0.000 0.813 122 P CB 0.060 31.765 31.700 0.008 0.000 0.778 123 N N -1.875 116.942 118.700 0.195 0.000 2.368 123 N HA 0.032 4.771 4.740 -0.000 0.000 0.178 123 N C 0.700 176.365 175.510 0.258 0.000 1.076 123 N CA 0.067 53.246 53.050 0.216 0.000 0.889 123 N CB 0.668 39.226 38.487 0.118 0.000 1.040 123 N HN 0.097 nan 8.380 nan 0.000 0.463 124 R N 0.646 121.295 120.500 0.249 0.000 2.393 124 R HA 0.254 4.593 4.340 -0.000 0.000 0.315 124 R C -1.702 174.649 176.300 0.085 0.000 0.952 124 R CA -0.431 55.753 56.100 0.140 0.000 0.842 124 R CB 0.772 31.112 30.300 0.067 0.000 1.163 124 R HN -0.169 nan 8.270 nan 0.000 0.450 125 F N 3.937 123.719 119.950 -0.280 0.000 2.495 125 F HA 0.537 5.064 4.527 -0.000 0.000 0.327 125 F C -1.000 174.661 175.800 -0.231 0.000 1.103 125 F CA -0.852 56.866 58.000 -0.469 0.000 0.949 125 F CB 1.351 39.706 39.000 -1.075 0.000 1.142 125 F HN 0.428 nan 8.300 nan 0.000 0.457 126 R N 6.671 126.459 120.500 -1.187 0.000 2.561 126 R HA 0.535 4.875 4.340 -0.000 0.000 0.297 126 R C -2.025 173.571 176.300 -1.173 0.000 0.969 126 R CA -0.656 54.789 56.100 -1.092 0.000 0.879 126 R CB 1.433 31.224 30.300 -0.849 0.000 1.178 126 R HN 0.733 nan 8.270 nan 0.000 0.445 127 F N 2.073 121.486 119.950 -0.896 0.000 2.565 127 F HA 0.585 5.112 4.527 -0.000 0.000 0.313 127 F C -1.409 174.206 175.800 -0.309 0.000 1.091 127 F CA -0.985 56.682 58.000 -0.555 0.000 0.915 127 F CB 1.437 40.317 39.000 -0.200 0.000 1.208 127 F HN 0.402 nan 8.300 nan 0.000 0.453 128 K N 4.005 124.270 120.400 -0.225 0.000 2.375 128 K HA 0.788 5.107 4.320 -0.000 0.000 0.249 128 K C -1.718 174.898 176.600 0.027 0.000 0.942 128 K CA -0.825 55.361 56.287 -0.168 0.000 0.806 128 K CB 2.770 35.128 32.500 -0.236 0.000 1.227 128 K HN 0.843 nan 8.250 nan 0.000 0.430 129 I N 2.868 123.496 120.570 0.097 0.000 2.382 129 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 129 I C -0.360 175.735 176.117 -0.036 0.000 1.007 129 I CA -0.540 60.790 61.300 0.049 0.000 1.142 129 I CB 1.867 39.937 38.000 0.116 0.000 1.289 129 I HN 0.881 nan 8.210 nan 0.000 0.453 130 T N 0.311 114.776 114.554 -0.148 0.000 2.926 130 T HA 0.394 4.744 4.350 -0.000 0.000 0.289 130 T C -0.716 173.875 174.700 -0.182 0.000 1.054 130 T CA -0.860 61.190 62.100 -0.083 0.000 1.015 130 T CB 2.414 71.249 68.868 -0.056 0.000 1.167 130 T HN 0.350 nan 8.240 nan 0.000 0.526 131 D N 1.645 122.019 120.400 -0.042 0.000 2.313 131 D HA 0.327 4.967 4.640 -0.000 0.000 0.239 131 D C -1.298 174.989 176.300 -0.022 0.000 1.142 131 D CA -2.525 51.456 54.000 -0.031 0.000 0.847 131 D CB 1.580 42.431 40.800 0.084 0.000 1.082 131 D HN 0.240 nan 8.370 nan 0.000 0.480 132 P HA -0.010 nan 4.420 nan 0.000 0.233 132 P C -0.071 177.225 177.300 -0.007 0.000 1.167 132 P CA 0.664 63.747 63.100 -0.028 0.000 0.770 132 P CB 0.395 32.074 31.700 -0.036 0.000 0.837 133 N N -1.109 117.595 118.700 0.006 0.000 2.184 133 N HA 0.064 4.803 4.740 -0.000 0.000 0.206 133 N C -0.123 175.402 175.510 0.026 0.000 1.151 133 N CA -0.183 52.876 53.050 0.015 0.000 0.878 133 N CB 0.152 38.650 38.487 0.019 0.000 1.014 133 N HN 0.062 nan 8.380 nan 0.000 0.512 134 N N 0.396 119.117 118.700 0.034 0.000 2.425 134 N HA 0.163 4.903 4.740 -0.000 0.000 0.289 134 N C -1.494 174.045 175.510 0.049 0.000 1.074 134 N CA -0.663 52.413 53.050 0.044 0.000 0.905 134 N CB 1.264 39.786 38.487 0.059 0.000 1.586 134 N HN -0.101 nan 8.380 nan 0.000 0.490 135 R N 3.317 123.842 120.500 0.042 0.000 2.435 135 R HA 0.161 4.501 4.340 -0.000 0.000 0.325 135 R C -0.284 176.055 176.300 0.066 0.000 1.149 135 R CA 0.005 56.129 56.100 0.040 0.000 0.995 135 R CB 0.020 30.337 30.300 0.029 0.000 1.008 135 R HN 0.517 nan 8.270 nan 0.000 0.470 136 R N 2.848 123.395 120.500 0.077 0.000 2.490 136 R HA -0.006 4.334 4.340 -0.000 0.000 0.278 136 R C -0.364 176.004 176.300 0.114 0.000 1.069 136 R CA -0.639 55.532 56.100 0.118 0.000 1.080 136 R CB 0.544 30.931 30.300 0.144 0.000 1.030 136 R HN 0.450 nan 8.270 nan 0.000 0.491 137 Y N 2.158 122.487 120.300 0.048 0.000 2.881 137 Y HA -0.184 4.366 4.550 -0.000 0.000 0.335 137 Y C -0.399 175.509 175.900 0.013 0.000 1.263 137 Y CA 0.963 59.086 58.100 0.037 0.000 1.572 137 Y CB 0.344 38.842 38.460 0.064 0.000 1.237 137 Y HN 0.484 nan 8.280 nan 0.000 0.568 138 E N 4.498 124.224 120.200 -0.790 0.000 2.266 138 E HA 0.353 4.702 4.350 -0.000 0.000 0.268 138 E C -1.202 174.802 176.600 -0.993 0.000 0.879 138 E CA -1.292 54.679 56.400 -0.715 0.000 0.762 138 E CB 2.153 31.652 29.700 -0.334 0.000 1.199 138 E HN 0.423 nan 8.360 nan 0.000 0.422 139 V N 3.637 123.148 119.914 -0.672 0.000 2.475 139 V HA 0.015 4.135 4.120 -0.000 0.000 0.292 139 V C -1.943 173.952 176.094 -0.331 0.000 1.003 139 V CA -0.684 61.366 62.300 -0.417 0.000 1.120 139 V CB -0.339 31.413 31.823 -0.117 0.000 0.937 139 V HN 0.571 nan 8.190 nan 0.000 0.476 140 P HA 0.152 nan 4.420 nan 0.000 0.226 140 P C -0.108 176.891 177.300 -0.502 0.000 1.783 140 P CA -0.167 62.608 63.100 -0.541 0.000 0.980 140 P CB -0.378 30.754 31.700 -0.947 0.000 1.967 141 H N 1.084 119.997 119.070 -0.262 0.000 2.848 141 H HA 0.046 4.601 4.556 -0.000 0.000 0.341 141 H C 1.255 176.603 175.328 0.033 0.000 1.060 141 H CA 0.345 56.355 56.048 -0.063 0.000 1.444 141 H CB 0.954 30.733 29.762 0.028 0.000 1.446 141 H HN -0.032 nan 8.280 nan 0.000 0.583 142 Q N 3.353 123.190 119.800 0.061 0.000 2.444 142 Q HA 0.007 4.347 4.340 -0.000 0.000 0.206 142 Q C 0.254 176.431 176.000 0.294 0.000 0.948 142 Q CA 0.755 56.647 55.803 0.149 0.000 0.946 142 Q CB 0.141 28.949 28.738 0.117 0.000 1.027 142 Q HN 0.794 nan 8.270 nan 0.000 0.513 143 Y N -1.961 118.578 120.300 0.398 0.000 2.673 143 Y HA 0.278 4.828 4.550 -0.000 0.000 0.278 143 Y C 0.180 176.170 175.900 0.151 0.000 1.127 143 Y CA -0.178 58.088 58.100 0.275 0.000 1.261 143 Y CB 0.670 39.291 38.460 0.268 0.000 1.412 143 Y HN -0.295 nan 8.280 nan 0.000 0.496 144 V N 4.086 124.152 119.914 0.254 0.000 2.557 144 V HA -0.064 4.055 4.120 -0.000 0.000 0.301 144 V C -0.267 175.791 176.094 -0.061 0.000 1.026 144 V CA 0.541 62.814 62.300 -0.045 0.000 1.137 144 V CB 0.201 31.924 31.823 -0.166 0.000 0.917 144 V HN 0.199 nan 8.190 nan 0.000 0.484 145 K N 3.328 123.663 120.400 -0.108 0.000 2.118 145 K HA 0.405 4.725 4.320 -0.000 0.000 0.254 145 K C -0.033 176.567 176.600 -0.000 0.000 0.961 145 K CA -0.740 55.498 56.287 -0.081 0.000 0.876 145 K CB 1.234 33.655 32.500 -0.132 0.000 1.077 145 K HN 0.747 nan 8.250 nan 0.000 0.440 146 E N 1.519 121.716 120.200 -0.004 0.000 2.502 146 E HA -0.096 4.254 4.350 -0.000 0.000 0.261 146 E C -1.431 175.222 176.600 0.088 0.000 0.974 146 E CA 0.423 56.835 56.400 0.021 0.000 0.936 146 E CB 0.274 29.960 29.700 -0.023 0.000 0.926 146 E HN 0.347 nan 8.360 nan 0.000 0.459 147 F N 4.258 124.182 119.950 -0.042 0.000 2.460 147 F HA 0.360 4.887 4.527 -0.000 0.000 0.341 147 F C 0.199 175.976 175.800 -0.038 0.000 1.130 147 F CA -0.132 57.847 58.000 -0.035 0.000 0.962 147 F CB 1.596 40.583 39.000 -0.022 0.000 1.171 147 F HN 0.518 nan 8.300 nan 0.000 0.436 148 T N 1.065 115.201 114.554 -0.697 0.000 3.262 148 T HA 0.263 4.613 4.350 -0.000 0.000 0.300 148 T C 0.749 174.936 174.700 -0.856 0.000 0.959 148 T CA 0.061 61.780 62.100 -0.635 0.000 0.936 148 T CB -0.205 68.493 68.868 -0.283 0.000 1.169 148 T HN 0.763 nan 8.240 nan 0.000 0.532 149 G N 4.277 112.223 108.800 -1.423 0.000 2.563 149 G HA2 0.471 4.431 3.960 -0.000 0.000 0.295 149 G HA3 0.471 4.431 3.960 -0.000 0.000 0.295 149 G C -2.563 172.092 174.900 -0.407 0.000 0.874 149 G CA -0.770 43.889 45.100 -0.735 0.000 1.642 149 G HN 0.356 nan 8.290 nan 0.000 0.483 150 P HA 0.358 nan 4.420 nan 0.000 0.292 150 P C -0.007 177.291 177.300 -0.003 0.000 1.287 150 P CA -0.206 62.850 63.100 -0.072 0.000 0.800 150 P CB 1.687 33.342 31.700 -0.075 0.000 0.945 151 T N -0.546 114.039 114.554 0.051 0.000 2.787 151 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 151 T C -1.043 173.731 174.700 0.125 0.000 1.221 151 T CA -0.744 61.426 62.100 0.115 0.000 1.006 151 T CB 0.890 69.811 68.868 0.089 0.000 1.328 151 T HN 0.002 nan 8.240 nan 0.000 0.509 152 V N 3.207 123.212 119.914 0.152 0.000 2.333 152 V HA 0.577 4.697 4.120 -0.000 0.000 0.274 152 V C 0.782 176.903 176.094 0.045 0.000 1.028 152 V CA -0.488 61.872 62.300 0.100 0.000 0.851 152 V CB 0.527 32.419 31.823 0.116 0.000 1.000 152 V HN 1.154 nan 8.190 nan 0.000 0.456 153 S N 2.749 118.461 115.700 0.020 0.000 2.693 153 S HA 0.427 4.897 4.470 -0.000 0.000 0.276 153 S C 0.081 174.657 174.600 -0.040 0.000 1.192 153 S CA -0.529 57.664 58.200 -0.011 0.000 0.994 153 S CB 1.061 64.258 63.200 -0.004 0.000 1.012 153 S HN 0.743 nan 8.310 nan 0.000 0.550 154 D N 0.776 121.139 120.400 -0.062 0.000 2.697 154 D HA -0.125 4.514 4.640 -0.000 0.000 0.238 154 D C 0.217 176.438 176.300 -0.133 0.000 1.152 154 D CA 1.404 55.355 54.000 -0.081 0.000 0.666 154 D CB -1.827 38.945 40.800 -0.047 0.000 1.037 154 D HN 0.943 nan 8.370 nan 0.000 0.423 155 T N -2.646 111.766 114.554 -0.237 0.000 2.926 155 T HA 0.343 4.693 4.350 -0.000 0.000 0.307 155 T C 1.969 176.431 174.700 -0.397 0.000 1.059 155 T CA -0.718 61.105 62.100 -0.463 0.000 1.122 155 T CB 1.037 69.308 68.868 -0.995 0.000 0.972 155 T HN 0.215 nan 8.240 nan 0.000 0.545 156 L N 0.826 121.856 121.223 -0.322 0.000 2.395 156 L HA 0.162 4.502 4.340 -0.000 0.000 0.218 156 L C 0.500 177.309 176.870 -0.103 0.000 1.130 156 L CA 0.145 54.906 54.840 -0.131 0.000 0.826 156 L CB -0.713 41.350 42.059 0.007 0.000 0.941 156 L HN 0.764 nan 8.230 nan 0.000 0.451 157 Y N -1.825 118.442 120.300 -0.054 0.000 2.496 157 Y HA 0.676 5.226 4.550 -0.000 0.000 0.331 157 Y C -0.778 175.041 175.900 -0.135 0.000 1.140 157 Y CA -2.092 55.940 58.100 -0.114 0.000 1.166 157 Y CB 0.764 39.126 38.460 -0.163 0.000 1.249 157 Y HN -0.189 nan 8.280 nan 0.000 0.479 158 D N 0.763 121.174 120.400 0.018 0.000 2.498 158 D HA 0.590 5.230 4.640 -0.000 0.000 0.247 158 D C -1.688 174.559 176.300 -0.088 0.000 1.070 158 D CA -0.519 53.459 54.000 -0.037 0.000 0.842 158 D CB 2.082 42.848 40.800 -0.057 0.000 1.361 158 D HN 0.553 nan 8.370 nan 0.000 0.484 159 V N 3.848 123.695 119.914 -0.111 0.000 2.417 159 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 159 V C -0.085 175.954 176.094 -0.090 0.000 1.024 159 V CA -0.713 61.474 62.300 -0.189 0.000 0.861 159 V CB 1.494 33.147 31.823 -0.283 0.000 0.985 159 V HN 0.458 nan 8.190 nan 0.000 0.436 160 K N 3.379 123.713 120.400 -0.109 0.000 2.323 160 K HA 0.702 5.022 4.320 -0.000 0.000 0.259 160 K C -1.375 175.155 176.600 -0.117 0.000 0.947 160 K CA -0.672 55.563 56.287 -0.086 0.000 0.819 160 K CB 2.461 34.907 32.500 -0.089 0.000 1.109 160 K HN 0.454 nan 8.250 nan 0.000 0.429 161 V N 2.786 122.652 119.914 -0.079 0.000 2.334 161 V HA 0.328 4.448 4.120 -0.000 0.000 0.281 161 V C 0.024 176.048 176.094 -0.116 0.000 1.016 161 V CA -0.936 61.289 62.300 -0.126 0.000 0.832 161 V CB 1.173 32.993 31.823 -0.004 0.000 0.999 161 V HN 0.900 nan 8.190 nan 0.000 0.439 162 A N 4.092 126.793 122.820 -0.198 0.000 2.388 162 A HA 0.421 4.740 4.320 -0.000 0.000 0.257 162 A C 0.842 178.385 177.584 -0.069 0.000 1.095 162 A CA -0.131 51.825 52.037 -0.135 0.000 0.791 162 A CB 0.528 19.426 19.000 -0.170 0.000 1.029 162 A HN 0.875 nan 8.150 nan 0.000 0.489 163 Q N 0.584 120.376 119.800 -0.013 0.000 2.394 163 Q HA 0.050 4.389 4.340 -0.000 0.000 0.218 163 Q C -0.518 175.512 176.000 0.049 0.000 0.907 163 Q CA 0.697 56.524 55.803 0.041 0.000 0.919 163 Q CB 0.255 29.013 28.738 0.034 0.000 1.051 163 Q HN 0.849 nan 8.270 nan 0.000 0.538 164 N N 1.833 120.544 118.700 0.019 0.000 2.690 164 N HA 0.206 4.945 4.740 -0.000 0.000 0.255 164 N C -2.545 172.969 175.510 0.007 0.000 1.195 164 N CA -0.745 52.318 53.050 0.022 0.000 0.790 164 N CB 1.515 40.012 38.487 0.016 0.000 1.216 164 N HN 0.092 nan 8.380 nan 0.000 0.528 165 P HA 0.255 nan 4.420 nan 0.000 0.282 165 P C -0.589 176.739 177.300 0.047 0.000 1.287 165 P CA -0.584 62.545 63.100 0.049 0.000 0.792 165 P CB 0.752 32.482 31.700 0.049 0.000 1.163 166 F N 1.450 121.380 119.950 -0.033 0.000 2.578 166 F HA 0.288 4.815 4.527 -0.000 0.000 0.381 166 F C -0.009 175.709 175.800 -0.135 0.000 1.069 166 F CA 0.677 58.617 58.000 -0.100 0.000 1.231 166 F CB 0.270 39.208 39.000 -0.103 0.000 1.086 166 F HN 0.436 nan 8.300 nan 0.000 0.564 167 S N 6.702 121.712 115.700 -1.150 0.000 2.565 167 S HA 0.561 5.030 4.470 -0.000 0.000 0.269 167 S C -1.175 172.767 174.600 -1.095 0.000 1.153 167 S CA -1.082 56.412 58.200 -1.177 0.000 0.835 167 S CB 1.482 64.363 63.200 -0.531 0.000 1.122 167 S HN 0.847 nan 8.310 nan 0.000 0.462 168 I N 0.739 120.797 120.570 -0.852 0.000 2.493 168 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 168 I C -1.009 174.933 176.117 -0.292 0.000 0.998 168 I CA -0.652 60.319 61.300 -0.548 0.000 1.137 168 I CB 1.781 39.419 38.000 -0.602 0.000 1.310 168 I HN 0.812 nan 8.210 nan 0.000 0.445 169 Q N 5.890 125.558 119.800 -0.219 0.000 2.309 169 Q HA 0.450 4.790 4.340 -0.000 0.000 0.270 169 Q C -1.718 174.190 176.000 -0.153 0.000 1.023 169 Q CA -0.687 55.026 55.803 -0.149 0.000 0.758 169 Q CB 2.420 31.070 28.738 -0.147 0.000 1.247 169 Q HN 0.497 nan 8.270 nan 0.000 0.455 170 V N 5.609 125.452 119.914 -0.118 0.000 2.347 170 V HA 0.482 4.601 4.120 -0.000 0.000 0.280 170 V C -0.218 175.776 176.094 -0.167 0.000 1.021 170 V CA -0.421 61.754 62.300 -0.208 0.000 0.847 170 V CB 0.962 32.630 31.823 -0.260 0.000 0.990 170 V HN 0.635 nan 8.190 nan 0.000 0.444 171 I N 4.153 124.641 120.570 -0.137 0.000 2.530 171 I HA 0.534 4.704 4.170 -0.000 0.000 0.297 171 I C 0.324 176.402 176.117 -0.064 0.000 1.011 171 I CA -0.685 60.554 61.300 -0.102 0.000 1.107 171 I CB 1.802 39.753 38.000 -0.081 0.000 1.285 171 I HN 0.486 nan 8.210 nan 0.000 0.436 172 R N 4.824 125.287 120.500 -0.062 0.000 2.248 172 R HA 0.197 4.537 4.340 -0.000 0.000 0.328 172 R C 0.777 177.062 176.300 -0.025 0.000 1.067 172 R CA -0.185 55.899 56.100 -0.027 0.000 0.924 172 R CB 0.628 30.916 30.300 -0.020 0.000 1.013 172 R HN 0.643 nan 8.270 nan 0.000 0.454 173 K N 1.278 121.662 120.400 -0.028 0.000 2.032 173 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 173 K C 1.942 178.528 176.600 -0.024 0.000 1.048 173 K CA 2.290 58.555 56.287 -0.036 0.000 0.927 173 K CB -0.017 32.450 32.500 -0.055 0.000 0.712 173 K HN 0.724 nan 8.250 nan 0.000 0.441 174 S N 1.668 117.359 115.700 -0.015 0.000 2.383 174 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 174 S C 1.360 175.960 174.600 -0.000 0.000 1.030 174 S CA 1.726 59.922 58.200 -0.006 0.000 1.002 174 S CB -0.401 62.800 63.200 0.002 0.000 0.829 174 S HN 0.437 nan 8.310 nan 0.000 0.467 175 N N -0.180 118.521 118.700 0.001 0.000 2.159 175 N HA 0.285 5.024 4.740 -0.000 0.000 0.217 175 N C 1.071 176.580 175.510 -0.002 0.000 1.223 175 N CA 0.399 53.453 53.050 0.005 0.000 0.896 175 N CB -0.174 38.324 38.487 0.018 0.000 1.064 175 N HN 0.599 nan 8.380 nan 0.000 0.518 176 G N 0.743 109.536 108.800 -0.013 0.000 2.155 176 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.257 176 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.257 176 G C -0.149 174.736 174.900 -0.026 0.000 0.983 176 G CA 0.517 45.604 45.100 -0.022 0.000 0.676 176 G HN 0.653 nan 8.290 nan 0.000 0.528 177 K N 1.217 121.603 120.400 -0.023 0.000 2.379 177 K HA 0.361 4.681 4.320 -0.000 0.000 0.284 177 K C 0.077 176.640 176.600 -0.062 0.000 1.044 177 K CA 0.063 56.334 56.287 -0.026 0.000 0.974 177 K CB 0.165 32.662 32.500 -0.004 0.000 0.962 177 K HN 0.062 nan 8.250 nan 0.000 0.474 178 T N 6.407 120.923 114.554 -0.064 0.000 2.743 178 T HA 0.124 4.474 4.350 -0.000 0.000 0.290 178 T C 1.452 176.073 174.700 -0.132 0.000 0.908 178 T CA -0.245 61.798 62.100 -0.094 0.000 1.092 178 T CB 0.280 69.101 68.868 -0.079 0.000 0.882 178 T HN 0.537 nan 8.240 nan 0.000 0.531 179 L N 2.135 123.212 121.223 -0.244 0.000 2.095 179 L HA 0.293 4.633 4.340 -0.000 0.000 0.204 179 L C 0.591 177.294 176.870 -0.277 0.000 1.080 179 L CA 0.929 55.448 54.840 -0.535 0.000 0.759 179 L CB 0.028 41.467 42.059 -1.033 0.000 0.914 179 L HN 0.510 nan 8.230 nan 0.000 0.439 180 F N 0.627 120.405 119.950 -0.286 0.000 2.745 180 F HA 0.340 4.867 4.527 -0.000 0.000 0.343 180 F C -1.249 174.470 175.800 -0.135 0.000 1.196 180 F CA -1.089 56.836 58.000 -0.124 0.000 1.021 180 F CB 1.090 40.039 39.000 -0.086 0.000 1.297 180 F HN -0.226 nan 8.300 nan 0.000 0.486 181 D N 3.843 124.069 120.400 -0.291 0.000 2.471 181 D HA 0.233 4.872 4.640 -0.000 0.000 0.245 181 D C 0.227 176.327 176.300 -0.332 0.000 1.116 181 D CA -0.099 53.757 54.000 -0.240 0.000 0.853 181 D CB 2.147 42.846 40.800 -0.168 0.000 1.123 181 D HN 0.493 nan 8.370 nan 0.000 0.540 182 T N 0.970 115.337 114.554 -0.312 0.000 3.081 182 T HA -0.043 4.307 4.350 -0.000 0.000 0.250 182 T C 1.706 176.266 174.700 -0.235 0.000 1.100 182 T CA 1.091 63.011 62.100 -0.300 0.000 1.038 182 T CB 0.089 68.790 68.868 -0.279 0.000 0.962 182 T HN 0.467 nan 8.240 nan 0.000 0.516 183 S N 1.506 117.073 115.700 -0.222 0.000 2.507 183 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 183 S C 1.813 176.348 174.600 -0.108 0.000 0.988 183 S CA 0.608 58.703 58.200 -0.175 0.000 0.944 183 S CB -0.786 62.316 63.200 -0.162 0.000 0.762 183 S HN 0.603 nan 8.310 nan 0.000 0.526 184 I N -0.037 120.473 120.570 -0.100 0.000 3.001 184 I HA 0.418 4.588 4.170 -0.000 0.000 0.268 184 I C 1.011 177.121 176.117 -0.012 0.000 1.267 184 I CA -0.444 60.824 61.300 -0.052 0.000 1.472 184 I CB -1.168 36.796 38.000 -0.060 0.000 1.089 184 I HN 0.307 nan 8.210 nan 0.000 0.468 185 G N 0.531 109.310 108.800 -0.035 0.000 2.694 185 G HA2 0.697 4.657 3.960 -0.000 0.000 0.290 185 G HA3 0.697 4.657 3.960 -0.000 0.000 0.290 185 G C -3.144 171.706 174.900 -0.083 0.000 1.386 185 G CA -1.233 43.849 45.100 -0.030 0.000 0.872 185 G HN -0.045 nan 8.290 nan 0.000 0.475 186 P HA 0.351 nan 4.420 nan 0.000 0.277 186 P C -0.654 176.631 177.300 -0.024 0.000 1.240 186 P CA -0.573 62.443 63.100 -0.141 0.000 0.798 186 P CB 1.764 33.241 31.700 -0.370 0.000 0.979 187 L N 3.102 124.414 121.223 0.149 0.000 2.319 187 L HA 0.266 4.606 4.340 -0.000 0.000 0.280 187 L C -0.782 176.278 176.870 0.318 0.000 1.099 187 L CA -0.123 54.858 54.840 0.237 0.000 0.828 187 L CB 0.480 42.711 42.059 0.286 0.000 1.150 187 L HN 0.070 nan 8.230 nan 0.000 0.442 188 V N 6.466 126.534 119.914 0.257 0.000 2.487 188 V HA 0.360 4.480 4.120 -0.000 0.000 0.298 188 V C -1.185 175.107 176.094 0.330 0.000 1.028 188 V CA -0.535 61.967 62.300 0.338 0.000 0.860 188 V CB 1.281 33.276 31.823 0.287 0.000 0.991 188 V HN 0.685 nan 8.190 nan 0.000 0.427 189 Y N 4.242 124.717 120.300 0.290 0.000 2.445 189 Y HA 0.571 5.121 4.550 -0.000 0.000 0.332 189 Y C 0.252 176.293 175.900 0.236 0.000 1.037 189 Y CA -0.231 57.974 58.100 0.174 0.000 1.296 189 Y CB 1.561 40.023 38.460 0.003 0.000 1.099 189 Y HN 0.778 nan 8.280 nan 0.000 0.496 190 S N 1.072 116.889 115.700 0.196 0.000 2.709 190 S HA 0.292 4.762 4.470 -0.000 0.000 0.302 190 S C 0.373 175.044 174.600 0.119 0.000 1.127 190 S CA -0.623 57.714 58.200 0.228 0.000 0.905 190 S CB 1.745 65.116 63.200 0.286 0.000 1.151 190 S HN 0.574 nan 8.310 nan 0.000 0.510 191 D N 0.126 120.614 120.400 0.146 0.000 2.123 191 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 191 D C 1.108 177.471 176.300 0.105 0.000 0.992 191 D CA 1.679 55.744 54.000 0.109 0.000 0.833 191 D CB 0.041 40.901 40.800 0.100 0.000 0.954 191 D HN 0.657 nan 8.370 nan 0.000 0.455 192 Q N -1.602 118.291 119.800 0.156 0.000 2.141 192 Q HA 0.163 4.503 4.340 -0.000 0.000 0.248 192 Q C -1.165 175.000 176.000 0.276 0.000 0.834 192 Q CA -0.325 55.600 55.803 0.203 0.000 1.096 192 Q CB 1.315 30.167 28.738 0.190 0.000 1.189 192 Q HN 0.282 nan 8.270 nan 0.000 0.471 193 Y N 0.619 120.959 120.300 0.066 0.000 2.274 193 Y HA 0.334 4.884 4.550 -0.000 0.000 0.323 193 Y C -1.940 173.952 175.900 -0.013 0.000 1.171 193 Y CA -0.743 57.377 58.100 0.033 0.000 1.163 193 Y CB 0.778 39.312 38.460 0.123 0.000 1.183 193 Y HN -0.052 nan 8.280 nan 0.000 0.424 194 L N 5.704 126.619 121.223 -0.513 0.000 2.317 194 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 194 L C -0.686 175.865 176.870 -0.533 0.000 1.024 194 L CA -0.806 53.773 54.840 -0.435 0.000 0.810 194 L CB 2.104 43.956 42.059 -0.345 0.000 1.240 194 L HN 0.608 nan 8.230 nan 0.000 0.427 195 Q N 3.571 123.219 119.800 -0.253 0.000 2.309 195 Q HA 0.662 5.002 4.340 -0.000 0.000 0.273 195 Q C -1.927 174.119 176.000 0.076 0.000 1.040 195 Q CA -0.513 55.216 55.803 -0.122 0.000 0.834 195 Q CB 3.416 32.085 28.738 -0.115 0.000 1.345 195 Q HN 0.717 nan 8.270 nan 0.000 0.414 196 I N 1.603 122.271 120.570 0.164 0.000 2.775 196 I HA 0.414 4.583 4.170 -0.000 0.000 0.295 196 I C -1.458 174.790 176.117 0.217 0.000 1.287 196 I CA -0.255 61.156 61.300 0.186 0.000 1.029 196 I CB 2.569 40.717 38.000 0.246 0.000 1.282 196 I HN 0.631 nan 8.210 nan 0.000 0.426 197 S N 4.597 120.357 115.700 0.099 0.000 2.568 197 S HA 0.932 5.402 4.470 -0.000 0.000 0.302 197 S C -0.855 173.681 174.600 -0.108 0.000 1.082 197 S CA -0.611 57.623 58.200 0.057 0.000 1.009 197 S CB 1.919 65.137 63.200 0.031 0.000 1.069 197 S HN 0.719 nan 8.310 nan 0.000 0.500 198 A N 1.895 124.604 122.820 -0.185 0.000 2.427 198 A HA 0.673 4.993 4.320 -0.000 0.000 0.298 198 A C -0.579 176.828 177.584 -0.295 0.000 1.036 198 A CA -0.743 51.011 52.037 -0.471 0.000 0.701 198 A CB 1.085 19.360 19.000 -1.208 0.000 1.250 198 A HN 0.766 nan 8.150 nan 0.000 0.412 199 R N 2.644 122.986 120.500 -0.264 0.000 2.340 199 R HA 0.590 4.930 4.340 -0.000 0.000 0.300 199 R C -1.065 175.168 176.300 -0.111 0.000 1.069 199 R CA -0.233 55.770 56.100 -0.162 0.000 0.984 199 R CB 0.312 30.533 30.300 -0.133 0.000 1.003 199 R HN 0.712 nan 8.270 nan 0.000 0.459 200 L N 6.118 127.324 121.223 -0.030 0.000 2.334 200 L HA 0.484 4.824 4.340 -0.000 0.000 0.270 200 L C -1.484 175.434 176.870 0.079 0.000 1.018 200 L CA -2.170 52.737 54.840 0.111 0.000 0.811 200 L CB 2.053 44.225 42.059 0.188 0.000 1.271 200 L HN 0.608 nan 8.230 nan 0.000 0.443 201 P HA 0.017 nan 4.420 nan 0.000 0.255 201 P C -0.007 177.366 177.300 0.121 0.000 1.248 201 P CA 0.361 63.521 63.100 0.100 0.000 0.807 201 P CB 0.735 32.496 31.700 0.102 0.000 1.150 202 S N -0.469 115.313 115.700 0.136 0.000 2.536 202 S HA 0.332 4.801 4.470 -0.000 0.000 0.271 202 S C -0.117 174.531 174.600 0.080 0.000 1.134 202 S CA -0.591 57.710 58.200 0.168 0.000 0.897 202 S CB 1.195 64.526 63.200 0.217 0.000 1.094 202 S HN -0.318 nan 8.310 nan 0.000 0.473 203 D N 1.824 122.263 120.400 0.065 0.000 2.352 203 D HA 0.138 4.778 4.640 -0.000 0.000 0.232 203 D C -0.807 175.179 176.300 -0.524 0.000 1.055 203 D CA 0.803 54.653 54.000 -0.250 0.000 0.891 203 D CB -0.248 40.341 40.800 -0.351 0.000 0.897 203 D HN 0.532 nan 8.370 nan 0.000 0.529 204 Y N 0.233 120.450 120.300 -0.138 0.000 2.388 204 Y HA 0.452 5.002 4.550 -0.000 0.000 0.328 204 Y C 0.122 175.690 175.900 -0.554 0.000 0.963 204 Y CA -0.654 57.265 58.100 -0.301 0.000 1.240 204 Y CB 0.905 39.311 38.460 -0.089 0.000 1.118 204 Y HN -0.284 nan 8.280 nan 0.000 0.484 205 I N 3.667 123.772 120.570 -0.775 0.000 2.608 205 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 205 I C -1.318 174.229 176.117 -0.949 0.000 1.049 205 I CA -0.935 59.944 61.300 -0.702 0.000 1.063 205 I CB 1.979 39.608 38.000 -0.618 0.000 1.248 205 I HN 0.369 nan 8.210 nan 0.000 0.424 206 Y N 3.293 123.435 120.300 -0.264 0.000 2.470 206 Y HA 0.806 5.356 4.550 -0.000 0.000 0.341 206 Y C 0.490 176.241 175.900 -0.248 0.000 1.021 206 Y CA -0.676 57.171 58.100 -0.423 0.000 1.025 206 Y CB 2.164 40.166 38.460 -0.763 0.000 1.266 206 Y HN 0.819 nan 8.280 nan 0.000 0.448 207 G N 1.363 110.178 108.800 0.026 0.000 2.280 207 G HA2 0.225 4.185 3.960 -0.000 0.000 0.277 207 G HA3 0.225 4.185 3.960 -0.000 0.000 0.277 207 G C -1.181 173.934 174.900 0.359 0.000 1.288 207 G CA -0.553 44.657 45.100 0.183 0.000 1.075 207 G HN 1.041 nan 8.290 nan 0.000 0.480 208 I N -0.994 119.809 120.570 0.388 0.000 8.905 208 I HA 0.169 4.339 4.170 -0.000 0.000 0.126 208 I C 0.663 176.951 176.117 0.286 0.000 1.862 208 I CA 1.222 62.646 61.300 0.207 0.000 2.041 208 I CB -0.887 37.118 38.000 0.008 0.000 3.915 208 I HN 2.294 nan 8.210 nan 0.000 0.170 209 G N 4.238 113.034 108.800 -0.008 0.000 2.550 209 G HA2 0.571 4.531 3.960 -0.000 0.000 0.293 209 G HA3 0.571 4.531 3.960 -0.000 0.000 0.293 209 G C -1.931 172.925 174.900 -0.073 0.000 1.402 209 G CA -0.600 44.478 45.100 -0.036 0.000 0.784 209 G HN 0.831 nan 8.290 nan 0.000 0.482 210 E N -0.212 119.998 120.200 0.017 0.000 2.133 210 E HA 0.603 4.952 4.350 -0.000 0.000 0.274 210 E C -0.673 175.947 176.600 0.032 0.000 0.930 210 E CA -0.312 56.141 56.400 0.089 0.000 0.770 210 E CB 1.064 30.924 29.700 0.267 0.000 1.104 210 E HN 0.387 nan 8.360 nan 0.000 0.403 211 Q N 1.348 121.089 119.800 -0.099 0.000 2.615 211 Q HA 0.411 4.751 4.340 -0.000 0.000 0.298 211 Q C -1.402 174.433 176.000 -0.274 0.000 1.023 211 Q CA -0.844 54.899 55.803 -0.100 0.000 0.768 211 Q CB 2.101 30.897 28.738 0.096 0.000 1.500 211 Q HN 0.342 nan 8.270 nan 0.000 0.441 212 V N 2.046 121.886 119.914 -0.124 0.000 2.372 212 V HA 0.130 4.250 4.120 -0.000 0.000 0.261 212 V C 0.057 176.040 176.094 -0.185 0.000 1.055 212 V CA 0.147 62.342 62.300 -0.175 0.000 0.930 212 V CB 0.072 31.808 31.823 -0.144 0.000 1.031 212 V HN 0.733 nan 8.190 nan 0.000 0.479 213 H N 3.134 122.062 119.070 -0.236 0.000 2.562 213 H HA 0.109 4.665 4.556 -0.000 0.000 0.267 213 H C 1.410 176.585 175.328 -0.256 0.000 0.959 213 H CA 0.299 56.151 56.048 -0.326 0.000 1.204 213 H CB 0.286 29.741 29.762 -0.512 0.000 1.430 213 H HN 0.687 nan 8.280 nan 0.000 0.545 214 K N -0.698 119.563 120.400 -0.232 0.000 3.870 214 K HA -0.200 4.119 4.320 -0.000 0.000 0.370 214 K C -0.031 176.606 176.600 0.061 0.000 0.607 214 K CA 1.513 57.623 56.287 -0.295 0.000 1.617 214 K CB -0.589 31.611 32.500 -0.500 0.000 1.221 214 K HN 0.140 nan 8.250 nan 0.000 0.485 215 R N -0.249 120.281 120.500 0.049 0.000 2.686 215 R HA 0.258 4.598 4.340 -0.000 0.000 0.286 215 R C 0.402 176.770 176.300 0.113 0.000 0.969 215 R CA -0.504 55.661 56.100 0.108 0.000 0.898 215 R CB 0.936 31.275 30.300 0.065 0.000 1.183 215 R HN -0.041 nan 8.270 nan 0.000 0.456 216 F N 2.083 122.060 119.950 0.046 0.000 2.084 216 F HA 0.022 4.549 4.527 -0.000 0.000 0.296 216 F C 1.219 177.069 175.800 0.084 0.000 1.111 216 F CA 1.292 59.342 58.000 0.083 0.000 1.224 216 F CB 0.160 39.259 39.000 0.165 0.000 0.991 216 F HN 0.238 nan 8.300 nan 0.000 0.471 217 R N 1.328 121.878 120.500 0.083 0.000 2.449 217 R HA -0.027 4.313 4.340 -0.000 0.000 0.296 217 R C -1.021 175.082 176.300 -0.328 0.000 1.047 217 R CA -0.083 55.894 56.100 -0.206 0.000 1.018 217 R CB -0.299 30.050 30.300 0.082 0.000 0.962 217 R HN 0.275 nan 8.270 nan 0.000 0.428 218 H N 1.884 120.645 119.070 -0.515 0.000 2.848 218 H HA -0.040 4.516 4.556 -0.000 0.000 0.341 218 H C -0.210 174.932 175.328 -0.309 0.000 1.060 218 H CA 0.614 56.403 56.048 -0.432 0.000 1.444 218 H CB 0.518 29.958 29.762 -0.536 0.000 1.446 218 H HN 0.480 nan 8.280 nan 0.000 0.583 219 D N 2.966 123.309 120.400 -0.095 0.000 2.425 219 D HA -0.041 4.599 4.640 -0.000 0.000 0.247 219 D C 0.478 176.706 176.300 -0.119 0.000 1.147 219 D CA 0.264 54.219 54.000 -0.076 0.000 0.879 219 D CB 0.770 41.568 40.800 -0.003 0.000 1.179 219 D HN 0.510 nan 8.370 nan 0.000 0.456 220 L N 2.286 123.387 121.223 -0.203 0.000 2.640 220 L HA 0.087 4.427 4.340 -0.000 0.000 0.230 220 L C 1.390 178.032 176.870 -0.381 0.000 1.123 220 L CA -0.075 54.576 54.840 -0.316 0.000 0.900 220 L CB 0.123 41.978 42.059 -0.340 0.000 1.146 220 L HN 0.259 nan 8.230 nan 0.000 0.484 221 S N 0.432 115.996 115.700 -0.227 0.000 4.085 221 S HA 0.025 4.495 4.470 -0.000 0.000 0.189 221 S C -0.464 174.129 174.600 -0.013 0.000 1.392 221 S CA -0.365 57.764 58.200 -0.118 0.000 0.972 221 S CB -0.938 62.286 63.200 0.040 0.000 1.482 221 S HN 0.420 nan 8.310 nan 0.000 0.446 222 W N 0.960 122.095 121.300 -0.274 0.000 5.432 222 W HA -0.175 4.485 4.660 -0.000 0.000 0.413 222 W C -0.036 176.225 176.519 -0.430 0.000 1.618 222 W CA -0.076 57.060 57.345 -0.348 0.000 0.942 222 W CB -1.639 27.832 29.460 0.019 0.000 2.830 222 W HN 0.272 nan 8.180 nan 0.000 1.362 223 K N 0.594 120.651 120.400 -0.572 0.000 2.221 223 K HA 0.637 4.957 4.320 -0.000 0.000 0.258 223 K C 0.221 176.436 176.600 -0.642 0.000 0.944 223 K CA -0.716 55.273 56.287 -0.498 0.000 0.823 223 K CB 1.904 34.185 32.500 -0.365 0.000 1.113 223 K HN -0.170 nan 8.250 nan 0.000 0.431 224 T N 2.146 116.375 114.554 -0.542 0.000 2.771 224 T HA 0.373 4.723 4.350 -0.000 0.000 0.281 224 T C -0.758 173.559 174.700 -0.638 0.000 0.982 224 T CA -0.548 61.385 62.100 -0.278 0.000 0.978 224 T CB 0.398 69.276 68.868 0.016 0.000 0.930 224 T HN 0.393 nan 8.240 nan 0.000 0.447 225 W N 5.566 126.897 121.300 0.051 0.000 2.338 225 W HA 0.359 5.019 4.660 -0.000 0.000 0.315 225 W C -2.420 174.133 176.519 0.056 0.000 1.005 225 W CA -2.442 54.936 57.345 0.055 0.000 1.380 225 W CB 1.085 30.570 29.460 0.042 0.000 1.235 225 W HN 0.377 nan 8.180 nan 0.000 0.409 226 P HA 0.322 nan 4.420 nan 0.000 0.280 226 P C -0.487 176.907 177.300 0.156 0.000 1.244 226 P CA 0.056 63.249 63.100 0.156 0.000 0.784 226 P CB 1.679 33.435 31.700 0.094 0.000 0.913 227 I N 3.932 124.568 120.570 0.109 0.000 2.447 227 I HA 0.521 4.691 4.170 -0.000 0.000 0.287 227 I C -0.774 175.467 176.117 0.208 0.000 1.023 227 I CA -0.609 60.709 61.300 0.029 0.000 1.083 227 I CB 1.257 39.118 38.000 -0.233 0.000 1.245 227 I HN 0.222 nan 8.210 nan 0.000 0.434 228 F N 4.478 124.479 119.950 0.086 0.000 2.684 228 F HA 0.154 4.681 4.527 -0.000 0.000 0.329 228 F C -0.001 175.955 175.800 0.259 0.000 1.094 228 F CA -0.763 57.382 58.000 0.242 0.000 1.116 228 F CB 1.147 40.206 39.000 0.098 0.000 1.366 228 F HN 0.547 nan 8.300 nan 0.000 0.567 229 T N 2.095 116.690 114.554 0.068 0.000 2.933 229 T HA 0.461 4.811 4.350 -0.000 0.000 0.306 229 T C -0.259 174.479 174.700 0.063 0.000 1.045 229 T CA -0.057 62.069 62.100 0.043 0.000 1.143 229 T CB 1.136 69.957 68.868 -0.077 0.000 1.003 229 T HN 0.812 nan 8.240 nan 0.000 0.540 230 R N 1.386 121.932 120.500 0.077 0.000 2.563 230 R HA 0.326 4.665 4.340 -0.000 0.000 0.262 230 R C -2.126 174.217 176.300 0.072 0.000 1.128 230 R CA -0.576 55.569 56.100 0.076 0.000 0.969 230 R CB 1.363 31.709 30.300 0.076 0.000 1.251 230 R HN 0.712 nan 8.270 nan 0.000 0.442 231 D N 2.860 123.335 120.400 0.124 0.000 2.344 231 D HA 0.234 4.874 4.640 -0.000 0.000 0.253 231 D C -1.177 175.201 176.300 0.130 0.000 1.255 231 D CA 0.421 54.544 54.000 0.205 0.000 0.894 231 D CB 0.834 41.758 40.800 0.207 0.000 1.067 231 D HN 0.463 nan 8.370 nan 0.000 0.492 232 Q N 3.605 123.428 119.800 0.039 0.000 2.320 232 Q HA 0.326 4.666 4.340 -0.000 0.000 0.272 232 Q C -1.400 174.626 176.000 0.042 0.000 1.023 232 Q CA -0.681 55.146 55.803 0.039 0.000 0.855 232 Q CB 1.110 29.843 28.738 -0.010 0.000 1.367 232 Q HN 0.422 nan 8.270 nan 0.000 0.406 233 L N 5.486 126.808 121.223 0.166 0.000 2.584 233 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 233 L C -1.729 175.234 176.870 0.156 0.000 1.195 233 L CA -1.450 53.524 54.840 0.224 0.000 0.920 233 L CB -0.152 42.066 42.059 0.265 0.000 1.173 233 L HN 0.556 nan 8.230 nan 0.000 0.489 234 P HA 0.135 nan 4.420 nan 0.000 0.265 234 P C -0.021 177.425 177.300 0.244 0.000 1.193 234 P CA 0.101 63.298 63.100 0.161 0.000 0.765 234 P CB 1.229 33.054 31.700 0.208 0.000 0.823 235 G N 1.071 109.998 108.800 0.211 0.000 2.782 235 G HA2 0.240 4.200 3.960 -0.000 0.000 0.304 235 G HA3 0.240 4.200 3.960 -0.000 0.000 0.304 235 G C -1.368 173.615 174.900 0.139 0.000 1.315 235 G CA -0.386 44.878 45.100 0.274 0.000 0.791 235 G HN 0.367 nan 8.290 nan 0.000 0.519 236 D N 0.740 121.237 120.400 0.162 0.000 2.619 236 D HA 0.356 4.995 4.640 -0.000 0.000 0.224 236 D C -0.016 176.295 176.300 0.017 0.000 1.133 236 D CA -0.228 53.783 54.000 0.017 0.000 1.017 236 D CB -0.880 40.039 40.800 0.199 0.000 1.077 236 D HN 0.537 nan 8.370 nan 0.000 0.503 237 N N -0.556 118.144 118.700 -0.001 0.000 3.116 237 N HA 0.129 4.869 4.740 -0.000 0.000 0.244 237 N C -0.274 175.274 175.510 0.063 0.000 1.485 237 N CA -0.865 52.199 53.050 0.023 0.000 0.884 237 N CB 0.071 38.580 38.487 0.037 0.000 1.415 237 N HN -0.129 nan 8.380 nan 0.000 0.524 238 N N -0.641 118.074 118.700 0.024 0.000 2.322 238 N HA 0.062 4.802 4.740 -0.000 0.000 0.216 238 N C -0.950 174.640 175.510 0.133 0.000 1.144 238 N CA -0.267 52.826 53.050 0.073 0.000 0.830 238 N CB -0.724 37.591 38.487 -0.286 0.000 1.034 238 N HN 0.437 nan 8.380 nan 0.000 0.484 239 N N 2.603 121.359 118.700 0.094 0.000 2.357 239 N HA -0.077 4.662 4.740 -0.000 0.000 0.257 239 N C -0.037 175.532 175.510 0.098 0.000 1.250 239 N CA 0.189 53.283 53.050 0.074 0.000 0.862 239 N CB 0.215 38.728 38.487 0.043 0.000 1.066 239 N HN 0.458 nan 8.380 nan 0.000 0.468 240 N N 2.923 121.682 118.700 0.098 0.000 2.411 240 N HA -0.017 4.723 4.740 -0.000 0.000 0.261 240 N C -0.003 175.519 175.510 0.021 0.000 1.248 240 N CA 0.303 53.411 53.050 0.098 0.000 0.885 240 N CB 0.871 39.442 38.487 0.141 0.000 1.062 240 N HN 0.400 nan 8.380 nan 0.000 0.471 241 L N 0.830 122.037 121.223 -0.028 0.000 2.798 241 L HA 0.301 4.641 4.340 -0.000 0.000 0.230 241 L C 1.262 178.060 176.870 -0.119 0.000 1.868 241 L CA -0.986 53.721 54.840 -0.222 0.000 2.126 241 L CB -0.363 41.477 42.059 -0.364 0.000 2.569 241 L HN 0.301 nan 8.230 nan 0.000 0.592 242 Y N 0.264 120.619 120.300 0.092 0.000 2.274 242 Y HA 0.021 4.571 4.550 -0.000 0.000 0.290 242 Y C 1.367 177.322 175.900 0.091 0.000 1.145 242 Y CA 0.530 58.673 58.100 0.072 0.000 1.203 242 Y CB -0.895 37.589 38.460 0.040 0.000 0.984 242 Y HN 0.384 nan 8.280 nan 0.000 0.533 243 G N -1.808 107.146 108.800 0.256 0.000 2.454 243 G HA2 0.385 4.345 3.960 -0.000 0.000 0.329 243 G HA3 0.385 4.345 3.960 -0.000 0.000 0.329 243 G C -1.756 173.257 174.900 0.189 0.000 1.177 243 G CA -0.646 44.587 45.100 0.221 0.000 0.951 243 G HN 0.318 nan 8.290 nan 0.000 0.485 244 H N 0.771 119.923 119.070 0.136 0.000 2.691 244 H HA 0.431 4.987 4.556 -0.000 0.000 0.281 244 H C -0.616 174.674 175.328 -0.063 0.000 1.121 244 H CA -0.414 55.723 56.048 0.149 0.000 1.254 244 H CB 0.519 30.506 29.762 0.375 0.000 1.390 244 H HN 0.165 nan 8.280 nan 0.000 0.491 245 Q N 3.803 123.476 119.800 -0.211 0.000 2.397 245 Q HA 0.110 4.449 4.340 -0.000 0.000 0.260 245 Q C 0.532 176.353 176.000 -0.298 0.000 1.002 245 Q CA -0.311 55.209 55.803 -0.472 0.000 0.716 245 Q CB 1.775 29.757 28.738 -1.260 0.000 1.258 245 Q HN 0.882 nan 8.270 nan 0.000 0.477 246 T N -1.432 113.096 114.554 -0.043 0.000 3.065 246 T HA 0.110 4.460 4.350 -0.000 0.000 0.252 246 T C 0.625 175.478 174.700 0.254 0.000 1.099 246 T CA -0.122 62.042 62.100 0.108 0.000 1.063 246 T CB -0.036 68.894 68.868 0.104 0.000 0.948 246 T HN 0.273 nan 8.240 nan 0.000 0.506 247 F N 4.072 124.061 119.950 0.066 0.000 2.578 247 F HA 0.429 4.955 4.527 -0.000 0.000 0.381 247 F C -0.387 175.487 175.800 0.124 0.000 1.069 247 F CA -2.197 55.800 58.000 -0.006 0.000 1.231 247 F CB -0.178 38.531 39.000 -0.485 0.000 1.086 247 F HN 0.293 nan 8.300 nan 0.000 0.564 248 F N 6.133 125.749 119.950 -0.556 0.000 2.620 248 F HA 0.721 5.248 4.527 -0.000 0.000 0.320 248 F C -1.266 173.979 175.800 -0.925 0.000 1.069 248 F CA -1.594 56.000 58.000 -0.676 0.000 0.953 248 F CB 1.518 40.293 39.000 -0.376 0.000 1.322 248 F HN 0.500 nan 8.300 nan 0.000 0.479 249 M N 3.074 122.409 119.600 -0.442 0.000 2.518 249 M HA 0.672 5.152 4.480 -0.000 0.000 0.300 249 M C -2.207 173.966 176.300 -0.211 0.000 1.175 249 M CA -0.475 54.556 55.300 -0.448 0.000 0.890 249 M CB 2.154 34.535 32.600 -0.364 0.000 1.710 249 M HN 1.053 nan 8.290 nan 0.000 0.453 250 C N 5.206 124.246 119.300 -0.434 0.000 2.431 250 C HA 0.643 5.103 4.460 -0.000 0.000 0.321 250 C C -0.771 174.064 174.990 -0.257 0.000 1.202 250 C CA -0.773 58.026 59.018 -0.365 0.000 1.398 250 C CB 0.792 28.130 27.740 -0.670 0.000 2.047 250 C HN 0.964 nan 8.230 nan 0.000 0.465 251 I N 5.654 126.135 120.570 -0.148 0.000 2.325 251 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 251 I C 0.924 176.935 176.117 -0.176 0.000 1.019 251 I CA 0.239 61.372 61.300 -0.278 0.000 1.302 251 I CB 1.053 38.675 38.000 -0.629 0.000 1.401 251 I HN 0.826 nan 8.210 nan 0.000 0.485 252 E N 4.382 124.569 120.200 -0.023 0.000 2.170 252 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 252 E C -0.744 175.939 176.600 0.139 0.000 0.981 252 E CA 0.580 57.047 56.400 0.113 0.000 0.830 252 E CB 0.156 29.954 29.700 0.164 0.000 0.775 252 E HN 0.856 nan 8.360 nan 0.000 0.470 253 D N -2.738 117.737 120.400 0.125 0.000 2.764 253 D HA -0.063 4.577 4.640 -0.000 0.000 0.293 253 D C 0.362 176.908 176.300 0.411 0.000 1.287 253 D CA -0.147 54.049 54.000 0.326 0.000 0.768 253 D CB 0.212 41.147 40.800 0.225 0.000 1.288 253 D HN -0.114 nan 8.370 nan 0.000 0.426 254 T N -2.499 112.343 114.554 0.480 0.000 3.072 254 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 254 T C 1.664 176.604 174.700 0.401 0.000 1.127 254 T CA 1.295 63.690 62.100 0.492 0.000 1.107 254 T CB -0.630 68.400 68.868 0.271 0.000 0.910 254 T HN 0.553 nan 8.240 nan 0.000 0.513 255 S N 1.105 116.968 115.700 0.272 0.000 2.442 255 S HA 0.238 4.708 4.470 -0.000 0.000 0.236 255 S C 2.118 176.835 174.600 0.195 0.000 1.007 255 S CA 0.958 59.294 58.200 0.226 0.000 0.965 255 S CB -0.892 62.388 63.200 0.134 0.000 0.773 255 S HN 1.208 nan 8.310 nan 0.000 0.504 256 G N 0.706 109.539 108.800 0.056 0.000 2.218 256 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.216 256 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.216 256 G C -0.056 174.636 174.900 -0.348 0.000 0.994 256 G CA -0.115 44.688 45.100 -0.496 0.000 0.637 256 G HN 0.562 nan 8.290 nan 0.000 0.505 257 K N 1.468 121.792 120.400 -0.126 0.000 2.472 257 K HA 0.443 4.763 4.320 -0.000 0.000 0.280 257 K C -0.106 176.473 176.600 -0.035 0.000 1.028 257 K CA 0.851 57.103 56.287 -0.058 0.000 1.045 257 K CB 0.684 33.193 32.500 0.015 0.000 0.902 257 K HN 0.253 nan 8.250 nan 0.000 0.478 258 S N 1.726 117.419 115.700 -0.012 0.000 2.651 258 S HA 0.731 5.201 4.470 -0.000 0.000 0.279 258 S C -1.156 173.553 174.600 0.180 0.000 1.148 258 S CA -0.976 57.233 58.200 0.015 0.000 0.837 258 S CB 1.060 64.168 63.200 -0.152 0.000 1.138 258 S HN 0.572 nan 8.310 nan 0.000 0.478 259 F N -1.360 118.585 119.950 -0.009 0.000 2.654 259 F HA 0.896 5.423 4.527 -0.000 0.000 0.308 259 F C -0.270 175.538 175.800 0.015 0.000 1.108 259 F CA -0.877 57.140 58.000 0.028 0.000 0.957 259 F CB 0.913 39.943 39.000 0.049 0.000 1.309 259 F HN 0.714 nan 8.300 nan 0.000 0.446 260 G N 0.953 109.801 108.800 0.081 0.000 2.453 260 G HA2 0.635 4.594 3.960 -0.000 0.000 0.323 260 G HA3 0.635 4.594 3.960 -0.000 0.000 0.323 260 G C -2.091 172.858 174.900 0.082 0.000 1.198 260 G CA -1.224 43.861 45.100 -0.026 0.000 0.959 260 G HN 0.730 nan 8.290 nan 0.000 0.482 261 V N 1.533 121.297 119.914 -0.249 0.000 2.443 261 V HA 0.494 4.614 4.120 -0.000 0.000 0.293 261 V C -1.300 174.871 176.094 0.128 0.000 1.021 261 V CA -0.678 61.555 62.300 -0.112 0.000 0.848 261 V CB 1.249 32.832 31.823 -0.399 0.000 0.998 261 V HN 0.656 nan 8.190 nan 0.000 0.424 262 F N 6.581 126.642 119.950 0.186 0.000 2.477 262 F HA 0.747 5.274 4.527 -0.000 0.000 0.335 262 F C -0.870 174.957 175.800 0.044 0.000 1.130 262 F CA -1.213 56.904 58.000 0.194 0.000 0.948 262 F CB 1.672 40.810 39.000 0.230 0.000 1.154 262 F HN 0.431 nan 8.300 nan 0.000 0.439 263 L N 7.850 128.647 121.223 -0.711 0.000 2.264 263 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 263 L C -0.572 175.551 176.870 -1.244 0.000 1.044 263 L CA -0.520 53.671 54.840 -1.082 0.000 0.807 263 L CB 1.139 42.629 42.059 -0.949 0.000 1.192 263 L HN 0.770 nan 8.230 nan 0.000 0.425 264 M N 6.580 125.599 119.600 -0.969 0.000 2.435 264 M HA 0.411 4.891 4.480 -0.000 0.000 0.344 264 M C -1.112 175.037 176.300 -0.252 0.000 1.329 264 M CA 0.542 55.522 55.300 -0.534 0.000 1.320 264 M CB -0.779 31.723 32.600 -0.163 0.000 1.309 264 M HN 0.666 nan 8.290 nan 0.000 0.451 265 N N 1.438 120.093 118.700 -0.075 0.000 2.554 265 N HA 0.186 4.926 4.740 -0.000 0.000 0.271 265 N C -0.807 174.839 175.510 0.226 0.000 1.081 265 N CA 0.143 53.222 53.050 0.049 0.000 0.994 265 N CB 1.553 40.019 38.487 -0.034 0.000 1.641 265 N HN 0.561 nan 8.380 nan 0.000 0.511 266 S N 1.176 116.970 115.700 0.156 0.000 2.539 266 S HA 0.233 4.702 4.470 -0.000 0.000 0.221 266 S C 0.345 174.941 174.600 -0.006 0.000 0.987 266 S CA -0.508 57.615 58.200 -0.128 0.000 0.929 266 S CB -0.092 62.970 63.200 -0.230 0.000 0.832 266 S HN 0.484 nan 8.310 nan 0.000 0.492 267 N N 2.339 121.133 118.700 0.157 0.000 2.467 267 N HA 0.405 5.144 4.740 -0.000 0.000 0.262 267 N C 0.067 175.721 175.510 0.240 0.000 1.234 267 N CA 0.181 53.293 53.050 0.105 0.000 0.952 267 N CB 0.825 39.325 38.487 0.022 0.000 1.158 267 N HN 0.429 nan 8.380 nan 0.000 0.463 268 A N 1.603 124.411 122.820 -0.020 0.000 2.540 268 A HA 0.285 4.605 4.320 -0.000 0.000 0.239 268 A C 0.435 178.017 177.584 -0.003 0.000 1.061 268 A CA 0.406 52.352 52.037 -0.153 0.000 0.758 268 A CB -0.281 18.160 19.000 -0.931 0.000 0.991 268 A HN 0.780 nan 8.150 nan 0.000 0.502 269 M N 0.521 120.174 119.600 0.089 0.000 2.773 269 M HA 0.733 5.212 4.480 -0.000 0.000 0.270 269 M C -1.343 175.053 176.300 0.159 0.000 1.238 269 M CA -0.593 54.801 55.300 0.157 0.000 0.832 269 M CB 1.671 34.385 32.600 0.189 0.000 1.672 269 M HN 0.502 nan 8.290 nan 0.000 0.480 270 E N 1.129 121.458 120.200 0.215 0.000 2.248 270 E HA 0.651 5.001 4.350 -0.000 0.000 0.267 270 E C -1.602 175.096 176.600 0.164 0.000 0.877 270 E CA -0.718 55.803 56.400 0.201 0.000 0.759 270 E CB 3.122 32.980 29.700 0.263 0.000 1.182 270 E HN 0.595 nan 8.360 nan 0.000 0.418 271 I N 3.282 123.923 120.570 0.118 0.000 2.339 271 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 271 I C -0.786 175.373 176.117 0.070 0.000 0.994 271 I CA -0.651 60.630 61.300 -0.030 0.000 1.191 271 I CB 0.663 38.561 38.000 -0.170 0.000 1.343 271 I HN 0.389 nan 8.210 nan 0.000 0.458 272 F N 8.064 127.948 119.950 -0.109 0.000 2.436 272 F HA 0.635 5.161 4.527 -0.000 0.000 0.340 272 F C -0.530 175.175 175.800 -0.159 0.000 1.113 272 F CA -0.616 57.335 58.000 -0.082 0.000 1.022 272 F CB 0.923 39.922 39.000 -0.002 0.000 1.128 272 F HN 0.191 nan 8.300 nan 0.000 0.466 273 I N 6.131 126.183 120.570 -0.864 0.000 2.436 273 I HA 0.360 4.529 4.170 -0.000 0.000 0.289 273 I C -0.933 174.607 176.117 -0.961 0.000 1.010 273 I CA -0.585 60.282 61.300 -0.720 0.000 1.098 273 I CB 1.811 39.502 38.000 -0.514 0.000 1.266 273 I HN 0.619 nan 8.210 nan 0.000 0.434 274 Q N 6.361 125.679 119.800 -0.803 0.000 2.495 274 Q HA 0.663 5.003 4.340 -0.000 0.000 0.287 274 Q C -2.988 172.518 176.000 -0.823 0.000 1.078 274 Q CA -2.260 52.878 55.803 -1.108 0.000 0.793 274 Q CB 2.509 30.465 28.738 -1.304 0.000 1.459 274 Q HN 0.166 nan 8.270 nan 0.000 0.422 275 P HA 0.175 nan 4.420 nan 0.000 0.270 275 P C -0.443 176.642 177.300 -0.359 0.000 1.223 275 P CA 0.462 63.273 63.100 -0.481 0.000 0.785 275 P CB 0.909 32.397 31.700 -0.354 0.000 0.923 276 T N -2.601 111.808 114.554 -0.241 0.000 5.870 276 T HA -0.024 4.326 4.350 -0.000 0.000 0.273 276 T C -2.712 171.905 174.700 -0.137 0.000 2.196 276 T CA -0.095 61.904 62.100 -0.168 0.000 3.763 276 T CB -2.200 66.570 68.868 -0.163 0.000 0.566 276 T HN 0.433 nan 8.240 nan 0.000 0.311 277 P HA 0.777 nan 4.420 nan 0.000 0.286 277 P C -1.158 176.014 177.300 -0.215 0.000 1.261 277 P CA -0.440 62.514 63.100 -0.242 0.000 0.821 277 P CB 0.940 32.481 31.700 -0.264 0.000 1.013 278 I N 1.433 121.847 120.570 -0.260 0.000 2.498 278 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 278 I C -0.246 175.738 176.117 -0.222 0.000 1.032 278 I CA -1.193 59.987 61.300 -0.200 0.000 1.073 278 I CB 2.488 40.400 38.000 -0.146 0.000 1.251 278 I HN 0.059 nan 8.210 nan 0.000 0.426 279 V N 5.909 125.719 119.914 -0.174 0.000 2.417 279 V HA 0.570 4.689 4.120 -0.000 0.000 0.291 279 V C -0.331 175.737 176.094 -0.044 0.000 1.024 279 V CA 0.196 62.378 62.300 -0.197 0.000 0.861 279 V CB 1.921 33.567 31.823 -0.295 0.000 0.985 279 V HN 0.800 nan 8.190 nan 0.000 0.436 280 T N 7.114 121.663 114.554 -0.008 0.000 2.797 280 T HA 0.568 4.918 4.350 -0.000 0.000 0.279 280 T C -1.139 173.597 174.700 0.059 0.000 0.991 280 T CA 0.035 62.215 62.100 0.133 0.000 0.979 280 T CB 0.982 69.981 68.868 0.218 0.000 0.943 280 T HN 0.582 nan 8.240 nan 0.000 0.444 281 Y N 2.045 122.455 120.300 0.184 0.000 2.328 281 Y HA 0.530 5.080 4.550 -0.000 0.000 0.337 281 Y C 0.956 176.896 175.900 0.066 0.000 1.008 281 Y CA -0.925 57.281 58.100 0.177 0.000 1.129 281 Y CB 1.140 39.757 38.460 0.261 0.000 1.185 281 Y HN 0.300 nan 8.280 nan 0.000 0.476 282 R N 2.736 123.338 120.500 0.170 0.000 2.422 282 R HA 0.560 4.900 4.340 -0.000 0.000 0.307 282 R C -1.559 174.774 176.300 0.056 0.000 1.004 282 R CA -0.716 55.365 56.100 -0.033 0.000 0.882 282 R CB 1.952 32.289 30.300 0.061 0.000 1.164 282 R HN 0.497 nan 8.270 nan 0.000 0.489 283 V N 1.831 121.673 119.914 -0.120 0.000 2.735 283 V HA 0.371 4.491 4.120 -0.000 0.000 0.310 283 V C 0.844 176.955 176.094 0.029 0.000 1.061 283 V CA -0.353 61.966 62.300 0.031 0.000 0.913 283 V CB 2.171 34.025 31.823 0.050 0.000 1.005 283 V HN 0.873 nan 8.190 nan 0.000 0.428 284 T N 1.945 116.563 114.554 0.106 0.000 3.129 284 T HA 0.585 4.935 4.350 -0.000 0.000 0.251 284 T C 0.727 175.535 174.700 0.181 0.000 1.117 284 T CA 0.628 62.821 62.100 0.154 0.000 1.034 284 T CB -0.431 68.456 68.868 0.033 0.000 0.968 284 T HN 1.742 nan 8.240 nan 0.000 0.526 285 G N -1.321 107.543 108.800 0.106 0.000 2.325 285 G HA2 0.541 4.501 3.960 -0.000 0.000 0.295 285 G HA3 0.541 4.501 3.960 -0.000 0.000 0.295 285 G C 0.100 175.062 174.900 0.102 0.000 1.274 285 G CA -0.146 45.049 45.100 0.158 0.000 0.857 285 G HN 1.042 nan 8.290 nan 0.000 0.499 286 G N -0.852 108.058 108.800 0.184 0.000 2.564 286 G HA2 0.194 4.154 3.960 -0.000 0.000 0.273 286 G HA3 0.194 4.154 3.960 -0.000 0.000 0.273 286 G C 0.427 175.367 174.900 0.068 0.000 1.242 286 G CA 1.161 46.386 45.100 0.209 0.000 0.951 286 G HN 2.134 nan 8.290 nan 0.000 0.564 287 I N -2.624 117.966 120.570 0.034 0.000 3.237 287 I HA 0.822 4.992 4.170 -0.000 0.000 0.308 287 I C 0.062 176.161 176.117 -0.031 0.000 1.093 287 I CA -1.521 59.810 61.300 0.052 0.000 1.001 287 I CB 1.761 39.798 38.000 0.061 0.000 1.245 287 I HN 0.521 nan 8.210 nan 0.000 0.485 288 L N 1.986 123.241 121.223 0.054 0.000 2.257 288 L HA 0.421 4.761 4.340 -0.000 0.000 0.290 288 L C -1.078 175.658 176.870 -0.222 0.000 1.044 288 L CA 0.024 54.830 54.840 -0.057 0.000 0.810 288 L CB 0.660 42.864 42.059 0.241 0.000 1.193 288 L HN 0.586 nan 8.230 nan 0.000 0.425 289 D N 4.026 124.110 120.400 -0.526 0.000 2.346 289 D HA 0.308 4.948 4.640 -0.000 0.000 0.255 289 D C -1.175 174.614 176.300 -0.852 0.000 1.276 289 D CA -0.211 53.438 54.000 -0.585 0.000 0.941 289 D CB 0.616 41.169 40.800 -0.412 0.000 1.199 289 D HN 0.026 nan 8.370 nan 0.000 0.537 290 F N 2.350 121.719 119.950 -0.969 0.000 2.443 290 F HA 0.454 4.981 4.527 -0.000 0.000 0.335 290 F C -0.220 175.077 175.800 -0.840 0.000 1.104 290 F CA -0.600 56.865 58.000 -0.892 0.000 1.013 290 F CB 1.254 39.538 39.000 -1.194 0.000 1.136 290 F HN 0.153 nan 8.300 nan 0.000 0.470 291 Y N 3.521 123.740 120.300 -0.136 0.000 2.352 291 Y HA 0.585 5.135 4.550 -0.000 0.000 0.339 291 Y C -0.558 175.361 175.900 0.032 0.000 0.992 291 Y CA -0.904 57.156 58.100 -0.066 0.000 1.100 291 Y CB 1.366 39.854 38.460 0.046 0.000 1.192 291 Y HN 0.300 nan 8.280 nan 0.000 0.458 292 I N 4.818 125.483 120.570 0.158 0.000 2.362 292 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 292 I C -1.257 174.966 176.117 0.176 0.000 0.994 292 I CA -0.381 61.014 61.300 0.159 0.000 1.158 292 I CB 0.934 38.971 38.000 0.061 0.000 1.315 292 I HN 0.307 nan 8.210 nan 0.000 0.451 293 L N 7.549 128.913 121.223 0.236 0.000 2.298 293 L HA 0.495 4.834 4.340 -0.000 0.000 0.284 293 L C -0.398 176.610 176.870 0.230 0.000 1.013 293 L CA -0.650 54.313 54.840 0.207 0.000 0.824 293 L CB 0.968 43.148 42.059 0.203 0.000 1.221 293 L HN 0.378 nan 8.230 nan 0.000 0.418 294 L N 2.538 123.879 121.223 0.196 0.000 2.325 294 L HA 0.860 5.200 4.340 -0.000 0.000 0.279 294 L C 0.632 177.579 176.870 0.128 0.000 1.054 294 L CA 0.171 55.123 54.840 0.188 0.000 0.804 294 L CB 1.867 44.035 42.059 0.182 0.000 1.200 294 L HN 0.721 nan 8.230 nan 0.000 0.436 295 G N 0.575 109.433 108.800 0.096 0.000 2.660 295 G HA2 0.375 4.335 3.960 -0.000 0.000 0.294 295 G HA3 0.375 4.335 3.960 -0.000 0.000 0.294 295 G C -0.430 174.467 174.900 -0.005 0.000 1.369 295 G CA -0.373 44.747 45.100 0.032 0.000 0.912 295 G HN 0.483 nan 8.290 nan 0.000 0.479 296 D N -0.423 119.959 120.400 -0.031 0.000 2.323 296 D HA 0.128 4.767 4.640 -0.000 0.000 0.209 296 D C 1.430 177.637 176.300 -0.155 0.000 0.973 296 D CA 1.341 55.308 54.000 -0.055 0.000 0.874 296 D CB 0.562 41.348 40.800 -0.023 0.000 0.930 296 D HN 0.598 nan 8.370 nan 0.000 0.521 297 T N -4.564 109.869 114.554 -0.201 0.000 2.864 297 T HA 0.374 4.723 4.350 -0.000 0.000 0.299 297 T C -2.446 172.053 174.700 -0.336 0.000 1.166 297 T CA -1.656 60.209 62.100 -0.392 0.000 1.007 297 T CB 2.271 70.968 68.868 -0.284 0.000 1.219 297 T HN -0.408 nan 8.240 nan 0.000 0.506 298 P HA -0.068 nan 4.420 nan 0.000 0.215 298 P C 1.406 178.436 177.300 -0.450 0.000 1.153 298 P CA 1.093 63.876 63.100 -0.528 0.000 0.853 298 P CB 0.152 31.350 31.700 -0.836 0.000 0.788 299 E N -0.247 119.754 120.200 -0.332 0.000 2.118 299 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 299 E C 2.160 178.751 176.600 -0.015 0.000 0.992 299 E CA 1.359 57.733 56.400 -0.044 0.000 0.804 299 E CB -0.607 29.129 29.700 0.060 0.000 0.741 299 E HN 0.228 nan 8.360 nan 0.000 0.458 300 Q N -0.676 119.094 119.800 -0.051 0.000 2.124 300 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 300 Q C 2.161 178.169 176.000 0.012 0.000 0.977 300 Q CA 1.415 57.207 55.803 -0.019 0.000 0.850 300 Q CB 0.113 28.832 28.738 -0.030 0.000 0.901 300 Q HN 0.236 nan 8.270 nan 0.000 0.429 301 V N -0.244 119.676 119.914 0.009 0.000 2.358 301 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 301 V C 2.175 178.363 176.094 0.157 0.000 1.047 301 V CA 1.348 63.699 62.300 0.086 0.000 1.035 301 V CB -0.311 31.548 31.823 0.061 0.000 0.658 301 V HN 0.193 nan 8.190 nan 0.000 0.452 302 V N -0.458 119.546 119.914 0.151 0.000 2.295 302 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 302 V C 2.435 178.580 176.094 0.084 0.000 1.049 302 V CA 2.064 64.476 62.300 0.186 0.000 1.024 302 V CB -0.762 31.193 31.823 0.219 0.000 0.648 302 V HN 0.577 nan 8.190 nan 0.000 0.447 303 Q N -0.684 119.144 119.800 0.046 0.000 2.061 303 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 303 Q C 2.478 178.455 176.000 -0.038 0.000 0.984 303 Q CA 1.683 57.485 55.803 -0.001 0.000 0.846 303 Q CB -0.262 28.484 28.738 0.012 0.000 0.902 303 Q HN 0.578 nan 8.270 nan 0.000 0.421 304 Q N -0.315 119.480 119.800 -0.008 0.000 2.096 304 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 304 Q C 1.901 177.836 176.000 -0.108 0.000 0.982 304 Q CA 1.381 57.167 55.803 -0.028 0.000 0.850 304 Q CB -0.452 28.305 28.738 0.031 0.000 0.901 304 Q HN 0.490 nan 8.270 nan 0.000 0.422 305 Y N 1.563 121.694 120.300 -0.282 0.000 2.181 305 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 305 Y C 2.162 177.755 175.900 -0.513 0.000 1.146 305 Y CA 1.909 59.676 58.100 -0.555 0.000 1.164 305 Y CB -0.103 37.754 38.460 -1.006 0.000 0.982 305 Y HN 0.146 nan 8.280 nan 0.000 0.515 306 Q N -0.469 119.047 119.800 -0.474 0.000 2.230 306 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 306 Q C 2.303 178.046 176.000 -0.429 0.000 0.963 306 Q CA 1.225 56.725 55.803 -0.504 0.000 0.866 306 Q CB -0.075 28.494 28.738 -0.282 0.000 0.931 306 Q HN 0.608 nan 8.270 nan 0.000 0.452 307 Q N 0.061 119.685 119.800 -0.292 0.000 2.096 307 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 307 Q C 2.035 177.920 176.000 -0.191 0.000 0.982 307 Q CA 1.184 56.872 55.803 -0.191 0.000 0.850 307 Q CB -0.046 28.621 28.738 -0.118 0.000 0.901 307 Q HN 0.291 nan 8.270 nan 0.000 0.422 308 L N -0.108 120.908 121.223 -0.345 0.000 2.007 308 L HA -0.113 4.226 4.340 -0.000 0.000 0.205 308 L C 2.101 178.728 176.870 -0.406 0.000 1.073 308 L CA 1.611 56.207 54.840 -0.406 0.000 0.744 308 L CB -0.440 41.252 42.059 -0.611 0.000 0.898 308 L HN 0.164 nan 8.230 nan 0.000 0.435 309 V N -2.370 117.106 119.914 -0.730 0.000 3.506 309 V HA 0.556 4.676 4.120 -0.000 0.000 0.263 309 V C 0.871 176.595 176.094 -0.616 0.000 1.203 309 V CA 0.262 62.142 62.300 -0.701 0.000 1.133 309 V CB -1.010 30.178 31.823 -1.059 0.000 0.802 309 V HN 0.692 nan 8.190 nan 0.000 0.459 310 G N 0.119 108.367 108.800 -0.921 0.000 2.801 310 G HA2 0.096 4.055 3.960 -0.000 0.000 0.648 310 G HA3 0.096 4.055 3.960 -0.000 0.000 0.648 310 G C -1.043 173.418 174.900 -0.732 0.000 1.415 310 G CA -0.663 43.609 45.100 -1.381 0.000 0.887 310 G HN 0.360 nan 8.290 nan 0.000 0.627 311 L N 3.655 124.519 121.223 -0.599 0.000 2.461 311 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 311 L C -1.197 175.507 176.870 -0.277 0.000 1.197 311 L CA -1.445 53.162 54.840 -0.389 0.000 0.836 311 L CB 0.774 42.591 42.059 -0.403 0.000 1.105 311 L HN 0.414 nan 8.230 nan 0.000 0.477 312 P HA 0.100 nan 4.420 nan 0.000 0.271 312 P C -0.837 176.500 177.300 0.062 0.000 1.218 312 P CA -0.472 62.587 63.100 -0.068 0.000 0.780 312 P CB 0.849 32.537 31.700 -0.020 0.000 0.901 313 A N 3.590 126.390 122.820 -0.033 0.000 2.483 313 A HA 0.211 4.530 4.320 -0.000 0.000 0.238 313 A C 0.520 177.978 177.584 -0.210 0.000 1.070 313 A CA -0.123 51.845 52.037 -0.115 0.000 0.770 313 A CB -0.413 18.500 19.000 -0.144 0.000 1.008 313 A HN 0.602 nan 8.150 nan 0.000 0.497 314 M N 4.386 123.691 119.600 -0.491 0.000 2.188 314 M HA 0.319 4.799 4.480 -0.000 0.000 0.354 314 M C -1.998 174.109 176.300 -0.322 0.000 1.342 314 M CA -1.877 53.159 55.300 -0.440 0.000 1.117 314 M CB 0.530 32.777 32.600 -0.589 0.000 1.670 314 M HN 0.475 nan 8.290 nan 0.000 0.466 315 P HA 0.287 nan 4.420 nan 0.000 0.277 315 P C -1.280 175.880 177.300 -0.235 0.000 1.240 315 P CA -0.502 62.375 63.100 -0.372 0.000 0.798 315 P CB 0.493 31.817 31.700 -0.627 0.000 0.979 316 A N 1.839 124.485 122.820 -0.291 0.000 2.425 316 A HA 0.009 4.329 4.320 -0.000 0.000 0.242 316 A C 1.032 178.488 177.584 -0.214 0.000 1.077 316 A CA -0.177 51.724 52.037 -0.227 0.000 0.781 316 A CB -0.555 18.198 19.000 -0.410 0.000 1.020 316 A HN 0.678 nan 8.150 nan 0.000 0.494 317 Y N 1.082 121.263 120.300 -0.198 0.000 2.224 317 Y HA -0.219 4.330 4.550 -0.000 0.000 0.289 317 Y C 2.115 177.908 175.900 -0.178 0.000 1.146 317 Y CA 2.660 60.585 58.100 -0.292 0.000 1.182 317 Y CB -0.077 38.086 38.460 -0.495 0.000 0.983 317 Y HN 0.870 nan 8.280 nan 0.000 0.524 318 W N -0.053 121.236 121.300 -0.017 0.000 2.525 318 W HA -0.115 4.545 4.660 -0.000 0.000 0.259 318 W C 0.658 177.086 176.519 -0.152 0.000 1.253 318 W CA 0.790 58.092 57.345 -0.073 0.000 1.262 318 W CB -1.055 28.363 29.460 -0.071 0.000 1.122 318 W HN 0.153 nan 8.180 nan 0.000 0.607 319 N N 1.783 120.110 118.700 -0.622 0.000 2.512 319 N HA -0.045 4.695 4.740 -0.000 0.000 0.183 319 N C 1.688 177.043 175.510 -0.258 0.000 1.073 319 N CA 1.062 53.752 53.050 -0.600 0.000 0.911 319 N CB -0.625 37.519 38.487 -0.571 0.000 0.964 319 N HN 0.350 nan 8.380 nan 0.000 0.447 320 L N -0.475 120.586 121.223 -0.271 0.000 2.567 320 L HA 0.244 4.583 4.340 -0.000 0.000 0.225 320 L C 1.291 178.074 176.870 -0.145 0.000 1.119 320 L CA -0.310 54.408 54.840 -0.203 0.000 0.871 320 L CB -0.356 41.496 42.059 -0.345 0.000 1.036 320 L HN -0.025 nan 8.230 nan 0.000 0.459 321 G N -0.193 108.543 108.800 -0.107 0.000 2.483 321 G HA2 0.147 4.107 3.960 -0.000 0.000 0.248 321 G HA3 0.147 4.107 3.960 -0.000 0.000 0.248 321 G C -0.628 174.422 174.900 0.250 0.000 1.248 321 G CA -0.378 44.748 45.100 0.044 0.000 0.838 321 G HN -0.084 nan 8.290 nan 0.000 0.566 322 F N 0.361 120.520 119.950 0.347 0.000 2.545 322 F HA 0.368 4.894 4.527 -0.000 0.000 0.348 322 F C 0.463 176.397 175.800 0.223 0.000 1.163 322 F CA -0.068 58.079 58.000 0.245 0.000 1.331 322 F CB 0.994 40.168 39.000 0.289 0.000 1.138 322 F HN 0.445 nan 8.300 nan 0.000 0.602 323 Q N 3.924 123.181 119.800 -0.904 0.000 2.331 323 Q HA 0.554 4.893 4.340 -0.000 0.000 0.272 323 Q C -2.292 173.197 176.000 -0.851 0.000 1.062 323 Q CA -0.974 54.471 55.803 -0.598 0.000 0.806 323 Q CB 1.796 30.294 28.738 -0.399 0.000 1.312 323 Q HN 0.672 nan 8.270 nan 0.000 0.431 324 L N 2.087 123.083 121.223 -0.377 0.000 2.356 324 L HA 0.766 5.106 4.340 -0.000 0.000 0.277 324 L C -1.208 175.680 176.870 0.030 0.000 0.996 324 L CA 0.177 54.865 54.840 -0.253 0.000 0.822 324 L CB 1.783 43.647 42.059 -0.325 0.000 1.256 324 L HN 0.644 nan 8.230 nan 0.000 0.413 325 S N 4.501 120.278 115.700 0.128 0.000 2.567 325 S HA 0.932 5.402 4.470 -0.000 0.000 0.270 325 S C -1.396 173.398 174.600 0.325 0.000 1.152 325 S CA -0.666 57.732 58.200 0.330 0.000 0.835 325 S CB 1.526 64.853 63.200 0.211 0.000 1.115 325 S HN 0.844 nan 8.310 nan 0.000 0.459 326 R N 1.078 121.735 120.500 0.262 0.000 2.690 326 R HA 0.515 4.855 4.340 -0.000 0.000 0.269 326 R C -2.194 174.172 176.300 0.110 0.000 1.037 326 R CA -0.934 55.131 56.100 -0.058 0.000 0.877 326 R CB 0.046 30.108 30.300 -0.397 0.000 1.255 326 R HN 0.523 nan 8.270 nan 0.000 0.467 327 W N 4.002 125.248 121.300 -0.091 0.000 2.322 327 W HA 0.385 5.045 4.660 -0.000 0.000 0.307 327 W C -0.322 176.109 176.519 -0.146 0.000 1.220 327 W CA -0.458 56.894 57.345 0.011 0.000 1.210 327 W CB 0.319 29.838 29.460 0.100 0.000 1.223 327 W HN 0.906 nan 8.180 nan 0.000 0.511 328 N N 5.211 123.995 118.700 0.140 0.000 2.681 328 N HA -0.276 4.464 4.740 -0.000 0.000 0.265 328 N C -0.403 175.076 175.510 -0.052 0.000 1.157 328 N CA 0.686 53.697 53.050 -0.066 0.000 0.674 328 N CB -1.709 36.509 38.487 -0.448 0.000 0.887 328 N HN 0.520 nan 8.380 nan 0.000 0.557 329 Y N 0.796 121.221 120.300 0.207 0.000 2.509 329 Y HA 0.044 4.594 4.550 -0.000 0.000 0.293 329 Y C 2.232 178.201 175.900 0.114 0.000 1.133 329 Y CA 2.168 60.382 58.100 0.191 0.000 1.283 329 Y CB -0.278 38.335 38.460 0.256 0.000 1.001 329 Y HN 0.705 nan 8.280 nan 0.000 0.555 330 K N -0.045 120.532 120.400 0.295 0.000 7.487 330 K HA -0.295 4.025 4.320 -0.000 0.000 0.481 330 K C 0.804 177.472 176.600 0.114 0.000 0.360 330 K CA 1.536 57.928 56.287 0.176 0.000 1.960 330 K CB -2.346 30.183 32.500 0.048 0.000 0.652 330 K HN 0.602 nan 8.250 nan 0.000 0.846 331 S N -0.840 114.784 115.700 -0.126 0.000 2.599 331 S HA 0.729 5.199 4.470 -0.000 0.000 0.294 331 S C 0.782 174.830 174.600 -0.920 0.000 1.094 331 S CA -0.071 57.803 58.200 -0.543 0.000 0.931 331 S CB 2.054 65.083 63.200 -0.286 0.000 1.093 331 S HN 1.459 nan 8.310 nan 0.000 0.488 332 L N 0.911 121.369 121.223 -1.275 0.000 2.201 332 L HA 0.049 4.388 4.340 -0.000 0.000 0.212 332 L C 1.375 177.901 176.870 -0.573 0.000 1.105 332 L CA 1.963 56.247 54.840 -0.927 0.000 0.775 332 L CB -0.828 40.866 42.059 -0.608 0.000 0.913 332 L HN 0.791 nan 8.230 nan 0.000 0.440 333 D N -1.025 119.126 120.400 -0.415 0.000 2.144 333 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 333 D C 2.293 178.451 176.300 -0.236 0.000 0.984 333 D CA 1.505 55.338 54.000 -0.278 0.000 0.834 333 D CB -0.158 40.529 40.800 -0.189 0.000 0.955 333 D HN 0.245 nan 8.370 nan 0.000 0.465 334 V N 0.240 120.032 119.914 -0.203 0.000 2.307 334 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 334 V C 2.563 178.535 176.094 -0.202 0.000 1.045 334 V CA 0.948 63.184 62.300 -0.108 0.000 1.024 334 V CB -0.530 31.330 31.823 0.063 0.000 0.651 334 V HN 0.078 nan 8.190 nan 0.000 0.449 335 V N 0.147 119.837 119.914 -0.372 0.000 2.278 335 V HA -0.358 3.762 4.120 -0.000 0.000 0.251 335 V C 2.449 178.286 176.094 -0.430 0.000 1.062 335 V CA 2.356 64.291 62.300 -0.610 0.000 1.038 335 V CB -0.851 30.608 31.823 -0.607 0.000 0.646 335 V HN 0.550 nan 8.190 nan 0.000 0.447 336 K N -0.434 119.672 120.400 -0.489 0.000 2.097 336 K HA -0.172 4.147 4.320 -0.000 0.000 0.205 336 K C 2.157 178.681 176.600 -0.128 0.000 1.050 336 K CA 1.494 57.590 56.287 -0.318 0.000 0.938 336 K CB -0.184 32.105 32.500 -0.351 0.000 0.718 336 K HN 0.555 nan 8.250 nan 0.000 0.442 337 E N 0.407 120.521 120.200 -0.144 0.000 2.208 337 E HA -0.108 4.241 4.350 -0.000 0.000 0.193 337 E C 1.929 178.486 176.600 -0.072 0.000 0.988 337 E CA 0.598 56.946 56.400 -0.087 0.000 0.828 337 E CB 0.226 29.875 29.700 -0.084 0.000 0.763 337 E HN 0.038 nan 8.360 nan 0.000 0.478 338 V N 0.523 120.376 119.914 -0.103 0.000 2.323 338 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 338 V C 2.288 178.369 176.094 -0.022 0.000 1.041 338 V CA 1.088 63.341 62.300 -0.079 0.000 1.025 338 V CB -0.201 31.581 31.823 -0.069 0.000 0.656 338 V HN 0.126 nan 8.190 nan 0.000 0.451 339 V N 1.488 121.422 119.914 0.034 0.000 2.287 339 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 339 V C 2.675 178.874 176.094 0.176 0.000 1.053 339 V CA 2.722 65.133 62.300 0.186 0.000 1.027 339 V CB -0.890 31.103 31.823 0.283 0.000 0.646 339 V HN 0.737 nan 8.190 nan 0.000 0.447 340 R N 1.705 122.256 120.500 0.085 0.000 2.090 340 R HA -0.134 4.206 4.340 -0.000 0.000 0.228 340 R C 2.323 178.666 176.300 0.070 0.000 1.110 340 R CA 1.513 57.654 56.100 0.068 0.000 0.973 340 R CB -0.711 29.607 30.300 0.030 0.000 0.869 340 R HN 0.603 nan 8.270 nan 0.000 0.440 341 R N 0.573 121.100 120.500 0.044 0.000 2.092 341 R HA 0.038 4.378 4.340 -0.000 0.000 0.231 341 R C 1.521 177.856 176.300 0.060 0.000 1.119 341 R CA 1.594 57.717 56.100 0.038 0.000 0.970 341 R CB -0.667 29.643 30.300 0.016 0.000 0.864 341 R HN 0.293 nan 8.270 nan 0.000 0.440 342 N N 0.762 119.499 118.700 0.061 0.000 2.300 342 N HA -0.038 4.701 4.740 -0.000 0.000 0.179 342 N C 1.748 177.392 175.510 0.223 0.000 1.016 342 N CA 0.741 53.835 53.050 0.073 0.000 0.876 342 N CB -0.056 38.344 38.487 -0.145 0.000 0.979 342 N HN 0.334 nan 8.380 nan 0.000 0.432 343 R N 1.282 121.953 120.500 0.285 0.000 2.081 343 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 343 R C 2.065 178.456 176.300 0.153 0.000 1.131 343 R CA 1.031 57.285 56.100 0.256 0.000 0.960 343 R CB -0.141 30.278 30.300 0.198 0.000 0.856 343 R HN 0.347 nan 8.270 nan 0.000 0.436 344 E N 0.337 120.605 120.200 0.113 0.000 2.077 344 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 344 E C 1.585 178.226 176.600 0.067 0.000 0.989 344 E CA 1.138 57.583 56.400 0.076 0.000 0.800 344 E CB 0.012 29.745 29.700 0.055 0.000 0.746 344 E HN 0.365 nan 8.360 nan 0.000 0.452 345 A N 0.079 122.943 122.820 0.075 0.000 2.206 345 A HA 0.140 4.460 4.320 -0.000 0.000 0.211 345 A C 1.645 179.266 177.584 0.062 0.000 1.158 345 A CA 1.010 53.084 52.037 0.061 0.000 0.761 345 A CB -0.508 18.530 19.000 0.064 0.000 0.801 345 A HN 0.445 nan 8.150 nan 0.000 0.473 346 G N -0.584 108.265 108.800 0.083 0.000 2.198 346 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 346 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 346 G C -0.001 174.938 174.900 0.066 0.000 1.025 346 G CA 0.215 45.357 45.100 0.069 0.000 0.769 346 G HN 0.345 nan 8.290 nan 0.000 0.507 347 I N 1.270 121.913 120.570 0.121 0.000 2.396 347 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 347 I C -1.797 174.462 176.117 0.237 0.000 1.056 347 I CA -2.299 59.074 61.300 0.122 0.000 1.365 347 I CB 0.730 38.804 38.000 0.124 0.000 1.407 347 I HN -0.089 nan 8.210 nan 0.000 0.509 348 P HA 0.197 nan 4.420 nan 0.000 0.271 348 P C -0.956 176.524 177.300 0.301 0.000 1.226 348 P CA 0.232 63.256 63.100 -0.127 0.000 0.765 348 P CB 0.063 31.265 31.700 -0.830 0.000 0.835 349 F N 0.039 120.077 119.950 0.146 0.000 2.635 349 F HA 0.461 4.988 4.527 -0.000 0.000 0.314 349 F C -0.126 175.809 175.800 0.225 0.000 1.119 349 F CA -0.912 57.264 58.000 0.293 0.000 1.000 349 F CB 1.156 40.299 39.000 0.238 0.000 1.278 349 F HN -0.005 nan 8.300 nan 0.000 0.446 350 D N 1.192 121.726 120.400 0.223 0.000 2.240 350 D HA 0.138 4.778 4.640 -0.000 0.000 0.206 350 D C 0.051 176.359 176.300 0.013 0.000 0.963 350 D CA 1.399 55.449 54.000 0.084 0.000 0.863 350 D CB 0.558 41.489 40.800 0.217 0.000 0.973 350 D HN 0.619 nan 8.370 nan 0.000 0.501 351 T N -0.090 114.541 114.554 0.129 0.000 2.876 351 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 351 T C -0.747 174.091 174.700 0.231 0.000 1.014 351 T CA -0.780 61.395 62.100 0.126 0.000 0.986 351 T CB 2.332 71.264 68.868 0.107 0.000 1.021 351 T HN -0.245 nan 8.240 nan 0.000 0.458 352 Q N 2.053 121.998 119.800 0.242 0.000 2.293 352 Q HA 0.615 4.954 4.340 -0.000 0.000 0.261 352 Q C -1.408 174.764 176.000 0.286 0.000 0.960 352 Q CA -0.571 55.415 55.803 0.305 0.000 0.882 352 Q CB 1.161 30.116 28.738 0.362 0.000 1.275 352 Q HN 0.520 nan 8.270 nan 0.000 0.445 353 V N 3.516 123.585 119.914 0.257 0.000 2.513 353 V HA 0.622 4.742 4.120 -0.000 0.000 0.299 353 V C -0.423 175.915 176.094 0.407 0.000 1.035 353 V CA -0.685 61.756 62.300 0.234 0.000 0.889 353 V CB 2.001 33.898 31.823 0.123 0.000 0.988 353 V HN 0.909 nan 8.190 nan 0.000 0.440 354 T N 3.166 117.933 114.554 0.355 0.000 2.792 354 T HA 0.327 4.677 4.350 -0.000 0.000 0.280 354 T C -0.283 174.727 174.700 0.518 0.000 0.990 354 T CA -0.380 62.019 62.100 0.498 0.000 0.960 354 T CB 1.550 70.703 68.868 0.475 0.000 0.939 354 T HN 0.735 nan 8.240 nan 0.000 0.439 355 D N 1.295 122.019 120.400 0.539 0.000 2.425 355 D HA 0.165 4.805 4.640 -0.000 0.000 0.274 355 D C 1.821 178.182 176.300 0.101 0.000 1.242 355 D CA -0.698 53.486 54.000 0.306 0.000 1.060 355 D CB 0.686 41.707 40.800 0.369 0.000 1.112 355 D HN 0.586 nan 8.370 nan 0.000 0.561 356 I N -1.297 119.151 120.570 -0.203 0.000 2.850 356 I HA -0.138 4.032 4.170 -0.000 0.000 0.266 356 I C 1.206 177.135 176.117 -0.313 0.000 1.257 356 I CA 0.905 61.961 61.300 -0.406 0.000 1.465 356 I CB -0.396 37.286 38.000 -0.529 0.000 1.091 356 I HN 0.178 nan 8.210 nan 0.000 0.467 357 D N 1.524 121.889 120.400 -0.058 0.000 2.317 357 D HA -0.243 4.397 4.640 -0.000 0.000 0.211 357 D C 1.999 178.170 176.300 -0.215 0.000 0.966 357 D CA 0.769 54.773 54.000 0.005 0.000 0.876 357 D CB -0.649 40.288 40.800 0.229 0.000 0.927 357 D HN 0.724 nan 8.370 nan 0.000 0.519 358 Y N 0.780 120.819 120.300 -0.434 0.000 2.421 358 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 358 Y C 1.224 176.924 175.900 -0.334 0.000 1.136 358 Y CA -0.413 57.158 58.100 -0.882 0.000 1.255 358 Y CB -0.667 37.490 38.460 -0.505 0.000 0.991 358 Y HN -0.218 nan 8.280 nan 0.000 0.552 359 M N 2.002 121.175 119.600 -0.713 0.000 2.241 359 M HA 0.055 4.535 4.480 -0.000 0.000 0.335 359 M C 0.257 176.443 176.300 -0.190 0.000 1.122 359 M CA 0.097 55.109 55.300 -0.480 0.000 1.164 359 M CB 0.686 32.914 32.600 -0.619 0.000 1.459 359 M HN 0.211 nan 8.290 nan 0.000 0.461 360 E N 2.427 122.564 120.200 -0.104 0.000 2.180 360 E HA -0.035 4.315 4.350 -0.000 0.000 0.283 360 E C -0.701 175.829 176.600 -0.115 0.000 1.061 360 E CA -0.061 56.295 56.400 -0.074 0.000 0.861 360 E CB 0.323 29.993 29.700 -0.050 0.000 1.056 360 E HN 0.647 nan 8.360 nan 0.000 0.407 361 D N 4.333 124.681 120.400 -0.086 0.000 2.945 361 D HA -0.207 4.433 4.640 -0.000 0.000 0.225 361 D C -0.524 175.717 176.300 -0.098 0.000 1.158 361 D CA 1.188 55.137 54.000 -0.085 0.000 0.805 361 D CB -0.756 39.976 40.800 -0.114 0.000 1.098 361 D HN 0.791 nan 8.370 nan 0.000 0.426 362 K N -1.172 119.156 120.400 -0.119 0.000 3.077 362 K HA -0.258 4.062 4.320 -0.000 0.000 0.264 362 K C -0.194 176.306 176.600 -0.168 0.000 1.008 362 K CA 1.056 57.259 56.287 -0.140 0.000 0.740 362 K CB -1.069 31.431 32.500 -0.000 0.000 1.273 362 K HN 0.377 nan 8.250 nan 0.000 0.477 363 K N 1.238 121.499 120.400 -0.233 0.000 2.221 363 K HA 0.223 4.543 4.320 -0.000 0.000 0.258 363 K C -0.333 176.136 176.600 -0.218 0.000 0.944 363 K CA -0.977 55.165 56.287 -0.242 0.000 0.823 363 K CB 1.331 33.570 32.500 -0.435 0.000 1.113 363 K HN 0.040 nan 8.250 nan 0.000 0.431 364 D N 2.552 122.857 120.400 -0.157 0.000 2.455 364 D HA -0.035 4.605 4.640 -0.000 0.000 0.241 364 D C 0.199 176.275 176.300 -0.373 0.000 1.138 364 D CA 0.717 54.433 54.000 -0.473 0.000 0.877 364 D CB 0.213 40.659 40.800 -0.591 0.000 1.187 364 D HN 0.486 nan 8.370 nan 0.000 0.451 365 F N -1.127 118.583 119.950 -0.401 0.000 3.034 365 F HA -0.246 4.281 4.527 -0.000 0.000 0.286 365 F C 0.821 176.464 175.800 -0.260 0.000 0.804 365 F CA 0.685 58.286 58.000 -0.665 0.000 1.161 365 F CB -2.728 36.108 39.000 -0.273 0.000 1.317 365 F HN 0.289 nan 8.300 nan 0.000 0.453 366 T N -1.675 112.855 114.554 -0.039 0.000 2.886 366 T HA 0.679 5.028 4.350 -0.000 0.000 0.292 366 T C -0.750 174.138 174.700 0.314 0.000 1.012 366 T CA -0.581 61.658 62.100 0.233 0.000 0.982 366 T CB 2.269 71.222 68.868 0.142 0.000 1.018 366 T HN 0.464 nan 8.240 nan 0.000 0.451 367 Y N 0.594 121.095 120.300 0.335 0.000 2.487 367 Y HA 0.670 5.220 4.550 -0.000 0.000 0.337 367 Y C -0.177 175.848 175.900 0.208 0.000 1.076 367 Y CA -1.314 56.988 58.100 0.336 0.000 1.115 367 Y CB 1.305 40.052 38.460 0.479 0.000 1.235 367 Y HN 0.550 nan 8.280 nan 0.000 0.468 368 D N 2.873 123.341 120.400 0.113 0.000 2.346 368 D HA 0.004 4.644 4.640 -0.000 0.000 0.260 368 D C 0.138 176.423 176.300 -0.026 0.000 1.252 368 D CA 0.509 54.545 54.000 0.059 0.000 0.895 368 D CB 1.128 42.074 40.800 0.244 0.000 1.097 368 D HN 0.865 nan 8.370 nan 0.000 0.489 369 Q N 1.996 121.676 119.800 -0.199 0.000 2.451 369 Q HA 0.006 4.346 4.340 -0.000 0.000 0.206 369 Q C 1.433 177.419 176.000 -0.024 0.000 0.947 369 Q CA 0.295 55.976 55.803 -0.204 0.000 0.937 369 Q CB 0.832 29.428 28.738 -0.237 0.000 1.025 369 Q HN 0.399 nan 8.270 nan 0.000 0.511 370 V N -0.446 119.481 119.914 0.021 0.000 2.635 370 V HA 0.029 4.149 4.120 -0.000 0.000 0.233 370 V C 2.006 178.131 176.094 0.051 0.000 1.097 370 V CA 1.289 63.608 62.300 0.031 0.000 1.134 370 V CB -0.836 30.998 31.823 0.020 0.000 0.841 370 V HN 0.252 nan 8.190 nan 0.000 0.496 371 A N -0.632 122.246 122.820 0.097 0.000 1.978 371 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 371 A C 1.496 179.029 177.584 -0.086 0.000 1.170 371 A CA 1.807 53.875 52.037 0.051 0.000 0.636 371 A CB -0.518 18.590 19.000 0.180 0.000 0.810 371 A HN 0.531 nan 8.150 nan 0.000 0.448 372 F N -0.354 119.644 119.950 0.080 0.000 2.881 372 F HA 0.273 4.800 4.527 -0.000 0.000 0.343 372 F C 0.328 176.231 175.800 0.171 0.000 1.233 372 F CA -1.388 56.691 58.000 0.132 0.000 1.262 372 F CB -0.350 38.802 39.000 0.255 0.000 0.980 372 F HN 0.123 nan 8.300 nan 0.000 0.506 373 N N 1.167 119.978 118.700 0.184 0.000 2.412 373 N HA 0.277 5.017 4.740 -0.000 0.000 0.254 373 N C 1.099 176.701 175.510 0.153 0.000 1.232 373 N CA 1.531 54.677 53.050 0.159 0.000 0.880 373 N CB 0.656 39.184 38.487 0.067 0.000 1.076 373 N HN 0.541 nan 8.380 nan 0.000 0.458 374 G N 2.399 111.313 108.800 0.190 0.000 2.272 374 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 374 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 374 G C 0.565 175.541 174.900 0.127 0.000 1.067 374 G CA 0.369 45.543 45.100 0.124 0.000 0.902 374 G HN 0.619 nan 8.290 nan 0.000 0.500 375 L N 0.250 121.585 121.223 0.187 0.000 2.095 375 L HA 0.216 4.555 4.340 -0.000 0.000 0.204 375 L C 0.285 177.114 176.870 -0.069 0.000 1.080 375 L CA 2.290 57.198 54.840 0.114 0.000 0.759 375 L CB -0.829 41.324 42.059 0.155 0.000 0.914 375 L HN 0.168 nan 8.230 nan 0.000 0.439 376 P HA -0.166 nan 4.420 nan 0.000 0.218 376 P C 1.308 178.496 177.300 -0.187 0.000 1.148 376 P CA 1.302 64.262 63.100 -0.233 0.000 0.822 376 P CB 0.074 31.651 31.700 -0.204 0.000 0.784 377 Q N -1.950 117.796 119.800 -0.089 0.000 2.123 377 Q HA -0.079 4.261 4.340 -0.000 0.000 0.199 377 Q C 1.857 177.813 176.000 -0.073 0.000 0.966 377 Q CA 1.090 56.851 55.803 -0.070 0.000 0.845 377 Q CB -1.191 27.538 28.738 -0.015 0.000 0.907 377 Q HN 0.245 nan 8.270 nan 0.000 0.439 378 F N -0.165 119.675 119.950 -0.184 0.000 2.234 378 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 378 F C 1.596 177.204 175.800 -0.320 0.000 1.087 378 F CA 0.719 58.591 58.000 -0.214 0.000 1.340 378 F CB -0.084 38.806 39.000 -0.184 0.000 1.031 378 F HN -0.144 nan 8.300 nan 0.000 0.500 379 V N 0.330 119.887 119.914 -0.594 0.000 2.515 379 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 379 V C 2.354 177.915 176.094 -0.889 0.000 1.058 379 V CA 1.983 63.778 62.300 -0.841 0.000 1.064 379 V CB -0.754 30.656 31.823 -0.688 0.000 0.675 379 V HN 0.352 nan 8.190 nan 0.000 0.461 380 Q N 0.747 120.206 119.800 -0.568 0.000 2.119 380 Q HA -0.213 4.127 4.340 -0.000 0.000 0.201 380 Q C 1.826 177.657 176.000 -0.282 0.000 0.972 380 Q CA 2.210 57.776 55.803 -0.394 0.000 0.847 380 Q CB -0.538 28.076 28.738 -0.207 0.000 0.903 380 Q HN 0.736 nan 8.270 nan 0.000 0.433 381 D N -0.778 119.446 120.400 -0.294 0.000 2.133 381 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 381 D C 1.716 177.876 176.300 -0.233 0.000 0.997 381 D CA 1.498 55.373 54.000 -0.209 0.000 0.840 381 D CB -0.168 40.510 40.800 -0.205 0.000 0.947 381 D HN 0.380 nan 8.370 nan 0.000 0.452 382 L N -0.500 120.458 121.223 -0.441 0.000 2.017 382 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 382 L C 2.559 179.398 176.870 -0.052 0.000 1.073 382 L CA 1.173 55.821 54.840 -0.319 0.000 0.745 382 L CB -0.646 41.147 42.059 -0.443 0.000 0.894 382 L HN 0.251 nan 8.230 nan 0.000 0.432 383 H N -0.372 118.577 119.070 -0.202 0.000 2.352 383 H HA -0.164 4.391 4.556 -0.000 0.000 0.299 383 H C 1.908 177.183 175.328 -0.089 0.000 1.097 383 H CA 1.319 57.277 56.048 -0.150 0.000 1.311 383 H CB -0.472 29.200 29.762 -0.150 0.000 1.377 383 H HN 0.268 nan 8.280 nan 0.000 0.504 384 D N -0.207 120.241 120.400 0.079 0.000 2.263 384 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 384 D C 1.066 177.386 176.300 0.034 0.000 0.971 384 D CA 1.033 55.066 54.000 0.055 0.000 0.867 384 D CB -0.204 40.639 40.800 0.071 0.000 0.929 384 D HN 0.487 nan 8.370 nan 0.000 0.492 385 H N -1.116 117.910 119.070 -0.073 0.000 2.519 385 H HA 0.375 4.931 4.556 -0.000 0.000 0.289 385 H C 1.016 176.288 175.328 -0.094 0.000 1.040 385 H CA 0.278 56.278 56.048 -0.081 0.000 1.165 385 H CB 0.264 29.968 29.762 -0.098 0.000 1.462 385 H HN 0.041 nan 8.280 nan 0.000 0.555 386 G N 1.103 109.901 108.800 -0.004 0.000 2.314 386 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.292 386 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.292 386 G C -0.048 174.802 174.900 -0.083 0.000 1.059 386 G CA 0.152 45.220 45.100 -0.054 0.000 0.982 386 G HN 0.476 nan 8.290 nan 0.000 0.505 387 Q N -1.129 118.618 119.800 -0.089 0.000 2.552 387 Q HA 0.737 5.077 4.340 -0.000 0.000 0.289 387 Q C -0.122 175.792 176.000 -0.143 0.000 1.097 387 Q CA -1.080 54.641 55.803 -0.135 0.000 0.812 387 Q CB 1.649 30.284 28.738 -0.173 0.000 1.460 387 Q HN 0.157 nan 8.270 nan 0.000 0.452 388 K N 0.332 120.622 120.400 -0.183 0.000 2.395 388 K HA 0.484 4.804 4.320 -0.000 0.000 0.245 388 K C -1.595 175.008 176.600 0.005 0.000 1.017 388 K CA -0.752 55.377 56.287 -0.263 0.000 0.852 388 K CB 1.752 33.765 32.500 -0.812 0.000 1.311 388 K HN 0.554 nan 8.250 nan 0.000 0.452 389 Y N 0.024 120.269 120.300 -0.092 0.000 2.386 389 Y HA 0.376 4.926 4.550 -0.000 0.000 0.334 389 Y C -1.559 174.424 175.900 0.139 0.000 1.002 389 Y CA -0.867 57.247 58.100 0.022 0.000 1.068 389 Y CB 1.359 39.814 38.460 -0.009 0.000 1.203 389 Y HN 0.197 nan 8.280 nan 0.000 0.443 390 V N 8.263 128.018 119.914 -0.265 0.000 2.409 390 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 390 V C -0.011 175.857 176.094 -0.376 0.000 1.020 390 V CA -0.740 61.471 62.300 -0.148 0.000 0.848 390 V CB 1.257 33.163 31.823 0.139 0.000 0.990 390 V HN 0.705 nan 8.190 nan 0.000 0.430 391 I N 2.968 123.312 120.570 -0.377 0.000 2.664 391 I HA 0.643 4.813 4.170 -0.000 0.000 0.308 391 I C -0.188 175.930 176.117 0.002 0.000 0.984 391 I CA -0.516 60.594 61.300 -0.315 0.000 1.213 391 I CB 1.562 39.267 38.000 -0.491 0.000 1.379 391 I HN 0.532 nan 8.210 nan 0.000 0.501 392 I N 4.826 125.463 120.570 0.113 0.000 2.440 392 I HA 0.449 4.619 4.170 -0.000 0.000 0.294 392 I C -0.999 175.020 176.117 -0.163 0.000 0.995 392 I CA -0.650 60.565 61.300 -0.141 0.000 1.306 392 I CB 1.096 38.765 38.000 -0.553 0.000 1.407 392 I HN 0.555 nan 8.210 nan 0.000 0.501 393 L N 6.527 127.621 121.223 -0.215 0.000 2.408 393 L HA 0.490 4.830 4.340 -0.000 0.000 0.268 393 L C -1.217 175.618 176.870 -0.058 0.000 0.986 393 L CA -0.862 53.881 54.840 -0.162 0.000 0.820 393 L CB 2.004 44.012 42.059 -0.086 0.000 1.303 393 L HN 0.522 nan 8.230 nan 0.000 0.411 394 D N 3.364 123.763 120.400 -0.002 0.000 2.228 394 D HA 0.306 4.945 4.640 -0.000 0.000 0.247 394 D C -1.687 174.774 176.300 0.269 0.000 0.995 394 D CA -1.337 52.712 54.000 0.082 0.000 0.903 394 D CB 2.415 43.246 40.800 0.050 0.000 1.205 394 D HN 0.235 nan 8.370 nan 0.000 0.459 395 P HA -0.045 nan 4.420 nan 0.000 0.215 395 P C 0.191 177.702 177.300 0.352 0.000 1.157 395 P CA 0.638 63.978 63.100 0.400 0.000 0.859 395 P CB 0.228 32.258 31.700 0.550 0.000 0.786 396 A N 0.920 123.825 122.820 0.141 0.000 2.440 396 A HA 0.369 4.689 4.320 -0.000 0.000 0.251 396 A C 0.279 177.856 177.584 -0.011 0.000 1.089 396 A CA 0.071 52.032 52.037 -0.127 0.000 0.779 396 A CB -0.447 18.277 19.000 -0.460 0.000 1.022 396 A HN 0.015 nan 8.150 nan 0.000 0.492 397 I N 2.142 122.687 120.570 -0.041 0.000 2.378 397 I HA 0.217 4.386 4.170 -0.000 0.000 0.291 397 I C 0.880 176.956 176.117 -0.068 0.000 0.992 397 I CA -0.174 61.215 61.300 0.149 0.000 1.154 397 I CB 1.147 39.410 38.000 0.438 0.000 1.315 397 I HN 0.661 nan 8.210 nan 0.000 0.448 398 S N 5.372 121.077 115.700 0.009 0.000 2.552 398 S HA 0.112 4.581 4.470 -0.000 0.000 0.289 398 S C 1.251 175.608 174.600 -0.404 0.000 1.304 398 S CA -0.258 57.832 58.200 -0.184 0.000 1.063 398 S CB 0.186 63.256 63.200 -0.217 0.000 0.848 398 S HN 0.535 nan 8.310 nan 0.000 0.499 399 I N 2.756 122.993 120.570 -0.554 0.000 3.793 399 I HA 0.449 4.619 4.170 -0.000 0.000 0.315 399 I C 0.980 176.774 176.117 -0.537 0.000 1.275 399 I CA -0.506 60.254 61.300 -0.901 0.000 1.214 399 I CB -0.483 37.174 38.000 -0.572 0.000 1.018 399 I HN 0.510 nan 8.210 nan 0.000 0.439 400 G N 1.098 109.707 108.800 -0.317 0.000 2.547 400 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 400 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 400 G C -0.061 174.787 174.900 -0.086 0.000 1.211 400 G CA -0.731 44.269 45.100 -0.166 0.000 0.950 400 G HN 0.044 nan 8.290 nan 0.000 0.504 401 R N -0.721 119.761 120.500 -0.029 0.000 2.574 401 R HA 0.416 4.756 4.340 -0.000 0.000 0.266 401 R C 0.250 176.548 176.300 -0.003 0.000 1.157 401 R CA -0.450 55.669 56.100 0.032 0.000 1.187 401 R CB 0.731 31.054 30.300 0.038 0.000 1.179 401 R HN 0.577 nan 8.270 nan 0.000 0.600 409 A N 2.614 125.493 122.820 0.099 0.000 2.015 409 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 409 A C 1.829 179.358 177.584 -0.091 0.000 1.163 409 A CA 2.240 54.286 52.037 0.015 0.000 0.646 409 A CB -0.350 18.683 19.000 0.055 0.000 0.806 409 A HN 0.736 nan 8.150 nan 0.000 0.448 410 T N -1.470 112.858 114.554 -0.377 0.000 2.746 410 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 410 T C 1.803 176.581 174.700 0.129 0.000 1.039 410 T CA 1.721 63.688 62.100 -0.222 0.000 1.142 410 T CB -0.388 68.259 68.868 -0.369 0.000 0.866 410 T HN 0.652 nan 8.240 nan 0.000 0.444 411 Y N 2.194 122.340 120.300 -0.257 0.000 2.153 411 Y HA 0.002 4.552 4.550 -0.000 0.000 0.289 411 Y C 2.720 178.751 175.900 0.218 0.000 1.127 411 Y CA 1.732 59.931 58.100 0.166 0.000 1.131 411 Y CB -0.970 37.597 38.460 0.177 0.000 0.995 411 Y HN 0.269 nan 8.280 nan 0.000 0.505 412 E N 1.508 121.669 120.200 -0.064 0.000 2.086 412 E HA -0.292 4.058 4.350 -0.000 0.000 0.200 412 E C 2.168 178.674 176.600 -0.157 0.000 1.012 412 E CA 2.239 58.540 56.400 -0.165 0.000 0.812 412 E CB -0.945 28.747 29.700 -0.013 0.000 0.743 412 E HN 0.681 nan 8.360 nan 0.000 0.453 413 R N -0.616 119.859 120.500 -0.042 0.000 2.096 413 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 413 R C 2.852 178.982 176.300 -0.283 0.000 1.127 413 R CA 0.972 57.048 56.100 -0.040 0.000 0.968 413 R CB -0.529 29.873 30.300 0.170 0.000 0.861 413 R HN 0.486 nan 8.270 nan 0.000 0.440 414 G N 1.929 110.472 108.800 -0.429 0.000 2.418 414 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.217 414 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.217 414 G C 1.114 175.396 174.900 -1.030 0.000 1.158 414 G CA 0.821 45.185 45.100 -1.226 0.000 0.771 414 G HN 0.379 nan 8.290 nan 0.000 0.545 415 N N 0.320 118.766 118.700 -0.423 0.000 2.416 415 N HA -0.048 4.691 4.740 -0.000 0.000 0.177 415 N C 1.868 177.125 175.510 -0.422 0.000 1.036 415 N CA 1.218 54.126 53.050 -0.237 0.000 0.901 415 N CB -0.607 37.879 38.487 -0.001 0.000 0.976 415 N HN 0.172 nan 8.380 nan 0.000 0.444 416 T N 1.606 115.896 114.554 -0.441 0.000 2.857 416 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 416 T C 1.662 175.936 174.700 -0.710 0.000 1.048 416 T CA 1.015 62.828 62.100 -0.478 0.000 1.139 416 T CB -0.040 68.667 68.868 -0.269 0.000 0.874 416 T HN 0.337 nan 8.240 nan 0.000 0.455 417 Q N -0.172 119.261 119.800 -0.613 0.000 2.403 417 Q HA 0.097 4.437 4.340 -0.000 0.000 0.203 417 Q C -0.626 175.059 176.000 -0.526 0.000 0.932 417 Q CA -0.087 55.405 55.803 -0.519 0.000 0.945 417 Q CB -0.064 28.434 28.738 -0.399 0.000 1.045 417 Q HN 0.698 nan 8.270 nan 0.000 0.511 418 H N -1.820 116.998 119.070 -0.420 0.000 2.591 418 H HA -0.142 4.414 4.556 -0.000 0.000 0.325 418 H C 0.305 175.314 175.328 -0.532 0.000 1.096 418 H CA -0.022 55.789 56.048 -0.396 0.000 1.108 418 H CB -1.580 28.056 29.762 -0.209 0.000 1.590 418 H HN 0.059 nan 8.280 nan 0.000 0.399 419 V N -0.550 118.812 119.914 -0.919 0.000 3.650 419 V HA -0.000 4.120 4.120 -0.000 0.000 0.271 419 V C 0.980 176.611 176.094 -0.771 0.000 1.281 419 V CA 0.467 62.169 62.300 -0.998 0.000 1.120 419 V CB -0.063 30.832 31.823 -1.548 0.000 0.856 419 V HN 0.472 nan 8.190 nan 0.000 0.443 420 W N -0.487 120.673 121.300 -0.234 0.000 2.303 420 W HA 0.533 5.192 4.660 -0.000 0.000 0.334 420 W C 0.167 176.634 176.519 -0.086 0.000 1.197 420 W CA -1.016 56.236 57.345 -0.156 0.000 1.262 420 W CB 0.451 29.854 29.460 -0.095 0.000 1.153 420 W HN -0.075 nan 8.180 nan 0.000 0.596 421 I N 3.727 124.439 120.570 0.237 0.000 2.683 421 I HA -0.126 4.044 4.170 -0.000 0.000 0.286 421 I C 0.253 176.455 176.117 0.142 0.000 1.175 421 I CA 0.351 61.737 61.300 0.144 0.000 1.429 421 I CB -0.133 37.951 38.000 0.140 0.000 1.371 421 I HN 0.418 nan 8.210 nan 0.000 0.569 422 N N 5.613 124.363 118.700 0.084 0.000 2.459 422 N HA 0.339 5.079 4.740 -0.000 0.000 0.288 422 N C -0.321 175.212 175.510 0.038 0.000 1.186 422 N CA -0.721 52.369 53.050 0.066 0.000 0.917 422 N CB 0.881 39.395 38.487 0.045 0.000 1.219 422 N HN 0.485 nan 8.380 nan 0.000 0.525 423 E N -0.446 119.770 120.200 0.026 0.000 2.435 423 E HA 0.004 4.354 4.350 -0.000 0.000 0.254 423 E C 0.840 177.442 176.600 0.004 0.000 1.289 423 E CA -0.108 56.296 56.400 0.007 0.000 0.983 423 E CB 0.395 30.096 29.700 0.001 0.000 1.010 423 E HN 0.651 nan 8.360 nan 0.000 0.509 424 S N 0.587 116.284 115.700 -0.005 0.000 2.469 424 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 424 S C 1.199 175.797 174.600 -0.002 0.000 0.998 424 S CA 1.553 59.750 58.200 -0.005 0.000 0.957 424 S CB -0.344 62.849 63.200 -0.012 0.000 0.764 424 S HN 0.607 nan 8.310 nan 0.000 0.514 425 D N 0.502 120.901 120.400 -0.002 0.000 2.317 425 D HA 0.167 4.807 4.640 -0.000 0.000 0.211 425 D C 1.652 177.950 176.300 -0.004 0.000 0.966 425 D CA 0.868 54.866 54.000 -0.003 0.000 0.876 425 D CB -1.072 39.726 40.800 -0.004 0.000 0.927 425 D HN 0.640 nan 8.370 nan 0.000 0.519 426 G N -0.712 108.088 108.800 -0.000 0.000 2.205 426 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 426 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 426 G C 1.272 176.165 174.900 -0.012 0.000 0.980 426 G CA 0.698 45.796 45.100 -0.003 0.000 0.632 426 G HN 0.441 nan 8.290 nan 0.000 0.533 427 S N -0.742 114.953 115.700 -0.009 0.000 2.566 427 S HA 0.225 4.695 4.470 -0.000 0.000 0.234 427 S C 0.934 175.540 174.600 0.010 0.000 1.075 427 S CA 1.077 59.267 58.200 -0.016 0.000 0.926 427 S CB 0.435 63.623 63.200 -0.019 0.000 0.811 427 S HN 0.527 nan 8.310 nan 0.000 0.518 428 T N 4.778 119.344 114.554 0.020 0.000 2.744 428 T HA 0.399 4.749 4.350 -0.000 0.000 0.291 428 T C -2.863 171.869 174.700 0.052 0.000 0.957 428 T CA -1.440 60.681 62.100 0.034 0.000 1.002 428 T CB 1.244 70.123 68.868 0.020 0.000 0.919 428 T HN -0.008 nan 8.240 nan 0.000 0.468 429 P HA 0.168 nan 4.420 nan 0.000 0.267 429 P C 0.024 177.343 177.300 0.031 0.000 1.205 429 P CA -0.396 62.758 63.100 0.090 0.000 0.765 429 P CB 0.386 32.136 31.700 0.083 0.000 0.828 430 I N 4.153 124.756 120.570 0.054 0.000 2.588 430 I HA 0.113 4.283 4.170 -0.000 0.000 0.283 430 I C -0.124 176.016 176.117 0.038 0.000 1.119 430 I CA -0.046 61.282 61.300 0.047 0.000 1.419 430 I CB 0.257 38.292 38.000 0.059 0.000 1.394 430 I HN 0.140 nan 8.210 nan 0.000 0.562 431 I N 7.644 128.220 120.570 0.011 0.000 2.339 431 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 431 I C 0.601 176.740 176.117 0.036 0.000 0.994 431 I CA -0.113 61.169 61.300 -0.031 0.000 1.191 431 I CB 0.503 38.464 38.000 -0.064 0.000 1.343 431 I HN 0.642 nan 8.210 nan 0.000 0.458 432 G N 4.834 113.669 108.800 0.058 0.000 3.075 432 G HA2 0.602 4.562 3.960 -0.000 0.000 0.253 432 G HA3 0.602 4.562 3.960 -0.000 0.000 0.253 432 G C -1.196 173.672 174.900 -0.053 0.000 1.353 432 G CA -0.355 44.816 45.100 0.118 0.000 1.051 432 G HN 0.566 nan 8.290 nan 0.000 0.553 433 E N -1.130 119.035 120.200 -0.058 0.000 2.260 433 E HA 0.554 4.904 4.350 -0.000 0.000 0.266 433 E C -0.825 175.556 176.600 -0.364 0.000 0.887 433 E CA -0.538 55.790 56.400 -0.121 0.000 0.777 433 E CB 2.043 31.753 29.700 0.017 0.000 1.205 433 E HN 0.310 nan 8.360 nan 0.000 0.414 434 V N 2.792 122.438 119.914 -0.446 0.000 3.149 434 V HA 0.286 4.406 4.120 -0.000 0.000 0.310 434 V C 0.658 176.561 176.094 -0.318 0.000 1.353 434 V CA -0.969 60.802 62.300 -0.882 0.000 1.040 434 V CB 0.346 31.718 31.823 -0.752 0.000 1.136 434 V HN 0.936 nan 8.190 nan 0.000 0.477 435 W N 0.701 121.972 121.300 -0.049 0.000 2.290 435 W HA -0.117 4.542 4.660 -0.000 0.000 0.311 435 W C -0.604 175.940 176.519 0.043 0.000 1.238 435 W CA 1.911 59.328 57.345 0.119 0.000 1.255 435 W CB -1.346 28.135 29.460 0.036 0.000 1.145 435 W HN 0.497 nan 8.180 nan 0.000 0.506 436 P HA 0.307 nan 4.420 nan 0.000 0.256 436 P C 0.615 177.905 177.300 -0.016 0.000 1.384 436 P CA 1.307 64.425 63.100 0.030 0.000 0.879 436 P CB 0.278 31.939 31.700 -0.065 0.000 1.403 437 G N 0.549 109.356 108.800 0.012 0.000 2.466 437 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 437 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 437 G C -1.086 173.765 174.900 -0.083 0.000 1.237 437 G CA -0.694 44.397 45.100 -0.016 0.000 0.954 437 G HN 0.205 nan 8.290 nan 0.000 0.580 438 L N 2.003 123.167 121.223 -0.098 0.000 2.499 438 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 438 L C 1.303 178.034 176.870 -0.231 0.000 1.195 438 L CA 1.323 56.077 54.840 -0.143 0.000 0.882 438 L CB 0.532 42.516 42.059 -0.124 0.000 1.133 438 L HN 1.081 nan 8.230 nan 0.000 0.483 439 T N -0.091 114.282 114.554 -0.303 0.000 2.900 439 T HA 0.783 5.133 4.350 -0.000 0.000 0.303 439 T C -0.344 174.012 174.700 -0.573 0.000 1.142 439 T CA -0.940 60.897 62.100 -0.439 0.000 1.007 439 T CB 1.547 70.120 68.868 -0.491 0.000 1.156 439 T HN 0.387 nan 8.240 nan 0.000 0.490 440 V N -0.305 119.209 119.914 -0.667 0.000 2.966 440 V HA 0.728 4.848 4.120 -0.000 0.000 0.317 440 V C -1.284 174.395 176.094 -0.691 0.000 1.070 440 V CA -1.253 60.613 62.300 -0.724 0.000 1.008 440 V CB 0.553 31.665 31.823 -1.186 0.000 1.070 440 V HN 0.909 nan 8.190 nan 0.000 0.457 441 Y N 1.652 121.889 120.300 -0.107 0.000 2.328 441 Y HA 0.563 5.113 4.550 -0.000 0.000 0.337 441 Y C -2.429 173.642 175.900 0.284 0.000 0.966 441 Y CA -2.565 55.587 58.100 0.086 0.000 1.136 441 Y CB 1.871 40.330 38.460 -0.001 0.000 1.170 441 Y HN 0.481 nan 8.280 nan 0.000 0.470 442 P HA -0.060 nan 4.420 nan 0.000 0.268 442 P C -0.426 176.721 177.300 -0.254 0.000 1.204 442 P CA 0.051 63.086 63.100 -0.109 0.000 0.768 442 P CB 0.650 31.970 31.700 -0.633 0.000 0.842 443 D N 2.834 123.057 120.400 -0.295 0.000 2.494 443 D HA 0.104 4.743 4.640 -0.000 0.000 0.217 443 D C 0.224 176.268 176.300 -0.427 0.000 1.153 443 D CA -0.296 53.545 54.000 -0.265 0.000 0.954 443 D CB -0.594 40.100 40.800 -0.176 0.000 1.034 443 D HN 0.131 nan 8.370 nan 0.000 0.518 444 F N 0.888 120.587 119.950 -0.419 0.000 2.641 444 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 444 F C 2.602 178.046 175.800 -0.594 0.000 1.146 444 F CA 1.031 58.727 58.000 -0.505 0.000 1.464 444 F CB -0.395 38.197 39.000 -0.679 0.000 1.101 444 F HN 0.378 nan 8.300 nan 0.000 0.585 445 T N -3.198 110.996 114.554 -0.600 0.000 3.067 445 T HA -0.089 4.261 4.350 -0.000 0.000 0.261 445 T C 0.890 175.253 174.700 -0.562 0.000 1.110 445 T CA -0.000 61.472 62.100 -1.046 0.000 1.113 445 T CB -0.465 67.427 68.868 -1.627 0.000 0.917 445 T HN 0.256 nan 8.240 nan 0.000 0.499 446 N N 2.041 120.538 118.700 -0.338 0.000 2.422 446 N HA 0.152 4.892 4.740 -0.000 0.000 0.264 446 N C -2.097 173.342 175.510 -0.117 0.000 1.063 446 N CA -1.814 51.125 53.050 -0.185 0.000 0.959 446 N CB 1.897 40.279 38.487 -0.176 0.000 1.087 446 N HN -0.079 nan 8.380 nan 0.000 0.483 447 P HA -0.146 nan 4.420 nan 0.000 0.217 447 P C 0.379 177.671 177.300 -0.013 0.000 1.151 447 P CA 1.624 64.715 63.100 -0.015 0.000 0.849 447 P CB 0.169 31.872 31.700 0.005 0.000 0.787 448 N N -1.564 117.110 118.700 -0.043 0.000 2.166 448 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 448 N C 1.853 177.342 175.510 -0.035 0.000 1.019 448 N CA 0.976 53.995 53.050 -0.051 0.000 0.856 448 N CB -0.779 37.648 38.487 -0.101 0.000 0.993 448 N HN 0.210 nan 8.380 nan 0.000 0.426 449 C N 1.256 120.507 119.300 -0.081 0.000 2.440 449 C HA 0.047 4.507 4.460 -0.000 0.000 0.278 449 C C 2.547 177.668 174.990 0.218 0.000 1.295 449 C CA 0.124 59.115 59.018 -0.045 0.000 1.738 449 C CB -1.176 26.410 27.740 -0.256 0.000 1.987 449 C HN 0.526 nan 8.230 nan 0.000 0.492 450 I N -0.341 120.319 120.570 0.150 0.000 2.439 450 I HA -0.038 4.132 4.170 -0.000 0.000 0.251 450 I C 1.915 178.169 176.117 0.228 0.000 1.139 450 I CA 2.183 63.620 61.300 0.228 0.000 1.438 450 I CB -0.849 37.221 38.000 0.116 0.000 1.085 450 I HN 0.109 nan 8.210 nan 0.000 0.427 451 D N 0.814 121.306 120.400 0.154 0.000 2.097 451 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 451 D C 1.614 177.995 176.300 0.134 0.000 0.984 451 D CA 1.670 55.736 54.000 0.110 0.000 0.826 451 D CB -0.343 40.496 40.800 0.065 0.000 0.973 451 D HN 0.664 nan 8.370 nan 0.000 0.460 452 W N 0.672 121.964 121.300 -0.014 0.000 2.333 452 W HA -0.205 4.455 4.660 -0.000 0.000 0.316 452 W C 2.178 178.716 176.519 0.032 0.000 1.215 452 W CA 1.410 58.730 57.345 -0.042 0.000 1.278 452 W CB -0.669 28.723 29.460 -0.113 0.000 1.154 452 W HN 0.128 nan 8.180 nan 0.000 0.486 453 W N 1.173 122.362 121.300 -0.184 0.000 2.342 453 W HA -0.239 4.421 4.660 -0.000 0.000 0.297 453 W C 2.083 178.441 176.519 -0.268 0.000 1.213 453 W CA 2.529 59.665 57.345 -0.348 0.000 1.251 453 W CB -0.728 28.857 29.460 0.207 0.000 1.136 453 W HN 0.069 nan 8.180 nan 0.000 0.526 454 A N 0.553 123.355 122.820 -0.030 0.000 1.930 454 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 454 A C 1.800 179.246 177.584 -0.230 0.000 1.175 454 A CA 1.644 53.622 52.037 -0.099 0.000 0.627 454 A CB -1.119 17.885 19.000 0.007 0.000 0.815 454 A HN 0.450 nan 8.150 nan 0.000 0.443 455 N N -0.777 117.764 118.700 -0.265 0.000 2.300 455 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 455 N C 1.372 176.626 175.510 -0.427 0.000 1.016 455 N CA 0.714 53.600 53.050 -0.273 0.000 0.876 455 N CB -0.049 38.324 38.487 -0.190 0.000 0.979 455 N HN 0.423 nan 8.380 nan 0.000 0.432 456 E N 1.003 120.758 120.200 -0.742 0.000 2.077 456 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 456 E C 2.146 178.134 176.600 -1.021 0.000 0.989 456 E CA 0.670 56.365 56.400 -1.173 0.000 0.800 456 E CB -0.400 28.089 29.700 -2.019 0.000 0.746 456 E HN 0.375 nan 8.360 nan 0.000 0.452 457 C N 0.436 119.297 119.300 -0.731 0.000 2.422 457 C HA -0.062 4.398 4.460 -0.000 0.000 0.279 457 C C 3.089 178.098 174.990 0.031 0.000 1.305 457 C CA 1.122 60.037 59.018 -0.173 0.000 1.757 457 C CB -0.829 26.829 27.740 -0.136 0.000 1.962 457 C HN 0.421 nan 8.230 nan 0.000 0.499 458 S N 0.277 115.898 115.700 -0.132 0.000 2.377 458 S HA 0.006 4.475 4.470 -0.000 0.000 0.223 458 S C 1.671 176.247 174.600 -0.040 0.000 1.030 458 S CA 0.962 59.095 58.200 -0.112 0.000 0.970 458 S CB -0.262 62.843 63.200 -0.158 0.000 0.830 458 S HN 0.554 nan 8.310 nan 0.000 0.473 459 I N 0.687 121.212 120.570 -0.076 0.000 2.194 459 I HA -0.166 4.003 4.170 -0.000 0.000 0.246 459 I C 2.124 178.303 176.117 0.103 0.000 1.093 459 I CA 1.530 62.816 61.300 -0.023 0.000 1.355 459 I CB -0.373 37.579 38.000 -0.081 0.000 1.046 459 I HN 0.354 nan 8.210 nan 0.000 0.413 460 F N 0.489 120.456 119.950 0.028 0.000 2.259 460 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 460 F C 2.610 178.538 175.800 0.213 0.000 1.088 460 F CA 1.539 59.648 58.000 0.183 0.000 1.358 460 F CB -0.583 38.625 39.000 0.347 0.000 1.040 460 F HN 0.140 nan 8.300 nan 0.000 0.505 461 H N 0.221 119.296 119.070 0.010 0.000 2.456 461 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 461 H C 1.814 176.969 175.328 -0.288 0.000 1.079 461 H CA 1.652 57.537 56.048 -0.271 0.000 1.322 461 H CB 0.104 29.587 29.762 -0.466 0.000 1.388 461 H HN 0.445 nan 8.280 nan 0.000 0.538 462 Q N 0.029 119.733 119.800 -0.161 0.000 2.167 462 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 462 Q C 1.919 177.792 176.000 -0.213 0.000 0.970 462 Q CA 1.068 56.774 55.803 -0.162 0.000 0.855 462 Q CB 0.249 28.945 28.738 -0.071 0.000 0.911 462 Q HN 0.672 nan 8.270 nan 0.000 0.438 463 E N -0.049 119.999 120.200 -0.254 0.000 2.024 463 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 463 E C 0.111 176.437 176.600 -0.458 0.000 0.974 463 E CA 0.653 56.884 56.400 -0.281 0.000 0.810 463 E CB 0.466 30.046 29.700 -0.200 0.000 0.775 463 E HN -0.019 nan 8.360 nan 0.000 0.453 464 V N 2.802 122.301 119.914 -0.692 0.000 2.313 464 V HA 0.087 4.206 4.120 -0.000 0.000 0.278 464 V C -0.129 175.652 176.094 -0.522 0.000 1.017 464 V CA -0.324 61.606 62.300 -0.617 0.000 0.823 464 V CB 1.233 32.644 31.823 -0.687 0.000 1.010 464 V HN 0.182 nan 8.190 nan 0.000 0.443 465 Q N 4.443 123.938 119.800 -0.509 0.000 2.903 465 Q HA 0.097 4.437 4.340 -0.000 0.000 0.243 465 Q C -0.240 175.702 176.000 -0.096 0.000 1.366 465 Q CA -0.076 55.354 55.803 -0.622 0.000 0.898 465 Q CB -0.222 28.310 28.738 -0.344 0.000 1.718 465 Q HN 0.835 nan 8.270 nan 0.000 0.557 466 Y N -1.631 118.755 120.300 0.143 0.000 2.330 466 Y HA 0.114 4.664 4.550 -0.000 0.000 0.341 466 Y C 0.565 176.774 175.900 0.515 0.000 1.278 466 Y CA -0.445 57.880 58.100 0.375 0.000 1.453 466 Y CB 0.687 39.298 38.460 0.252 0.000 1.342 466 Y HN 0.144 nan 8.280 nan 0.000 0.590 467 D N 0.524 121.188 120.400 0.440 0.000 2.454 467 D HA 0.251 4.891 4.640 -0.000 0.000 0.214 467 D C 0.433 176.851 176.300 0.197 0.000 1.088 467 D CA 0.710 54.756 54.000 0.078 0.000 0.855 467 D CB 1.042 41.621 40.800 -0.369 0.000 1.025 467 D HN 0.824 nan 8.370 nan 0.000 0.502 468 G N 0.384 109.509 108.800 0.542 0.000 2.660 468 G HA2 0.594 4.554 3.960 -0.000 0.000 0.290 468 G HA3 0.594 4.554 3.960 -0.000 0.000 0.290 468 G C -1.767 173.409 174.900 0.461 0.000 1.432 468 G CA -0.605 44.859 45.100 0.608 0.000 0.807 468 G HN -0.027 nan 8.290 nan 0.000 0.485 469 L N -0.443 121.007 121.223 0.378 0.000 2.354 469 L HA 0.696 5.036 4.340 -0.000 0.000 0.264 469 L C -1.418 175.582 176.870 0.217 0.000 1.008 469 L CA -0.870 54.088 54.840 0.198 0.000 0.819 469 L CB 2.913 45.056 42.059 0.139 0.000 1.339 469 L HN 0.635 nan 8.230 nan 0.000 0.420 470 W N 5.329 126.602 121.300 -0.045 0.000 2.463 470 W HA 0.573 5.233 4.660 -0.000 0.000 0.316 470 W C -1.177 175.296 176.519 -0.077 0.000 1.004 470 W CA -1.635 55.639 57.345 -0.118 0.000 1.309 470 W CB 0.902 30.270 29.460 -0.153 0.000 1.288 470 W HN 0.310 nan 8.180 nan 0.000 0.423 471 I N 3.485 124.126 120.570 0.118 0.000 2.315 471 I HA 0.561 4.731 4.170 -0.000 0.000 0.291 471 I C -0.507 175.622 176.117 0.021 0.000 1.006 471 I CA -0.278 61.031 61.300 0.016 0.000 1.265 471 I CB 1.432 39.464 38.000 0.052 0.000 1.387 471 I HN 0.293 nan 8.210 nan 0.000 0.475 472 D N 5.570 125.901 120.400 -0.116 0.000 2.450 472 D HA 0.526 5.166 4.640 -0.000 0.000 0.238 472 D C 0.355 176.673 176.300 0.029 0.000 1.020 472 D CA -0.346 53.630 54.000 -0.039 0.000 1.010 472 D CB 1.296 41.889 40.800 -0.345 0.000 1.342 472 D HN 0.664 nan 8.370 nan 0.000 0.530 473 M N 0.713 120.355 119.600 0.070 0.000 2.751 473 M HA -0.216 4.264 4.480 -0.000 0.000 0.199 473 M C -0.441 175.881 176.300 0.038 0.000 0.550 473 M CA 0.425 55.755 55.300 0.050 0.000 0.640 473 M CB -2.779 29.830 32.600 0.015 0.000 2.351 473 M HN 0.559 nan 8.290 nan 0.000 0.613 474 N N -0.377 118.373 118.700 0.083 0.000 2.558 474 N HA 0.326 5.065 4.740 -0.000 0.000 0.281 474 N C 0.606 176.177 175.510 0.102 0.000 1.219 474 N CA -0.160 52.980 53.050 0.151 0.000 0.942 474 N CB 0.301 38.919 38.487 0.220 0.000 1.241 474 N HN 0.266 nan 8.380 nan 0.000 0.511 475 E N -0.309 119.868 120.200 -0.038 0.000 2.107 475 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 475 E C 0.313 176.665 176.600 -0.415 0.000 0.982 475 E CA 0.406 56.735 56.400 -0.119 0.000 0.809 475 E CB 0.244 29.926 29.700 -0.030 0.000 0.756 475 E HN 0.283 nan 8.360 nan 0.000 0.459 476 V N -0.110 119.476 119.914 -0.547 0.000 2.743 476 V HA 0.319 4.439 4.120 -0.000 0.000 0.301 476 V C -0.106 175.800 176.094 -0.314 0.000 1.057 476 V CA -0.423 61.549 62.300 -0.548 0.000 1.006 476 V CB 1.831 32.945 31.823 -1.182 0.000 1.024 476 V HN 0.104 nan 8.190 nan 0.000 0.473 477 S N 3.627 119.206 115.700 -0.201 0.000 2.578 477 S HA 0.661 5.131 4.470 -0.000 0.000 0.283 477 S C -0.503 173.987 174.600 -0.184 0.000 1.195 477 S CA -0.221 57.897 58.200 -0.137 0.000 1.050 477 S CB 1.291 64.441 63.200 -0.084 0.000 1.012 477 S HN 1.040 nan 8.310 nan 0.000 0.511 478 S N 3.107 118.718 115.700 -0.148 0.000 2.619 478 S HA 0.526 4.996 4.470 -0.000 0.000 0.280 478 S C -0.320 174.267 174.600 -0.022 0.000 1.150 478 S CA -0.598 57.524 58.200 -0.129 0.000 0.978 478 S CB 0.296 63.479 63.200 -0.028 0.000 1.041 478 S HN 0.598 nan 8.310 nan 0.000 0.485 479 F N 3.677 123.584 119.950 -0.072 0.000 2.748 479 F HA 0.294 4.821 4.527 -0.000 0.000 0.299 479 F C 0.995 176.780 175.800 -0.025 0.000 1.154 479 F CA -0.235 57.719 58.000 -0.078 0.000 1.446 479 F CB -0.571 38.350 39.000 -0.132 0.000 1.112 479 F HN 0.532 nan 8.300 nan 0.000 0.584 480 I N -2.367 118.294 120.570 0.152 0.000 2.910 480 I HA 0.443 4.613 4.170 -0.000 0.000 0.310 480 I C -0.216 175.970 176.117 0.115 0.000 1.043 480 I CA -1.201 60.168 61.300 0.114 0.000 1.053 480 I CB 1.274 39.324 38.000 0.085 0.000 1.242 480 I HN -0.347 nan 8.210 nan 0.000 0.452 481 Q N 2.825 122.709 119.800 0.140 0.000 2.441 481 Q HA 0.336 4.676 4.340 -0.000 0.000 0.234 481 Q C 0.718 176.889 176.000 0.285 0.000 1.078 481 Q CA 0.542 56.484 55.803 0.232 0.000 0.907 481 Q CB 1.073 29.959 28.738 0.248 0.000 1.269 481 Q HN 1.133 nan 8.270 nan 0.000 0.502 482 G N 2.916 111.852 108.800 0.228 0.000 5.045 482 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.229 482 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.229 482 G C 0.250 175.122 174.900 -0.046 0.000 1.440 482 G CA 0.398 45.501 45.100 0.005 0.000 0.936 482 G HN 0.926 nan 8.290 nan 0.000 0.690 483 S N -2.516 113.159 115.700 -0.041 0.000 2.688 483 S HA 0.655 5.125 4.470 -0.000 0.000 0.275 483 S C 0.602 175.203 174.600 0.003 0.000 1.175 483 S CA 1.026 59.216 58.200 -0.017 0.000 0.818 483 S CB 1.141 64.316 63.200 -0.042 0.000 1.157 483 S HN 1.076 nan 8.310 nan 0.000 0.482 484 T N 0.190 114.745 114.554 0.003 0.000 3.007 484 T HA 0.108 4.458 4.350 -0.000 0.000 0.270 484 T C 0.963 175.663 174.700 0.000 0.000 1.107 484 T CA 1.340 63.441 62.100 0.002 0.000 1.118 484 T CB -0.553 68.309 68.868 -0.010 0.000 0.889 484 T HN 0.588 nan 8.240 nan 0.000 0.506 485 K N -0.268 120.127 120.400 -0.009 0.000 2.374 485 K HA 0.401 4.721 4.320 -0.000 0.000 0.202 485 K C 1.065 177.656 176.600 -0.015 0.000 1.040 485 K CA 0.267 56.548 56.287 -0.009 0.000 1.085 485 K CB 1.157 33.650 32.500 -0.013 0.000 0.873 485 K HN 0.369 nan 8.250 nan 0.000 0.539 486 G N 1.140 109.923 108.800 -0.027 0.000 2.466 486 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 486 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 486 G C -0.765 174.042 174.900 -0.154 0.000 1.237 486 G CA -0.585 44.486 45.100 -0.049 0.000 0.954 486 G HN 0.215 nan 8.290 nan 0.000 0.580 487 C N 0.512 119.704 119.300 -0.180 0.000 2.898 487 C HA 0.688 5.148 4.460 -0.000 0.000 0.304 487 C C 0.007 174.956 174.990 -0.067 0.000 1.237 487 C CA -1.177 57.682 59.018 -0.264 0.000 1.529 487 C CB 1.514 28.818 27.740 -0.727 0.000 2.021 487 C HN 0.767 nan 8.230 nan 0.000 0.474 488 N N 0.966 119.638 118.700 -0.046 0.000 2.518 488 N HA 0.180 4.920 4.740 -0.000 0.000 0.266 488 N C -0.430 175.159 175.510 0.131 0.000 1.196 488 N CA -0.096 52.970 53.050 0.026 0.000 0.947 488 N CB 0.815 39.306 38.487 0.007 0.000 1.098 488 N HN 0.455 nan 8.380 nan 0.000 0.450 489 V N 3.272 123.260 119.914 0.124 0.000 2.326 489 V HA 0.100 4.220 4.120 -0.000 0.000 0.249 489 V C 0.173 176.337 176.094 0.116 0.000 1.114 489 V CA -0.338 62.046 62.300 0.140 0.000 1.028 489 V CB -1.355 30.453 31.823 -0.025 0.000 1.170 489 V HN 0.777 nan 8.190 nan 0.000 0.494 490 N N 3.206 122.021 118.700 0.191 0.000 3.316 490 N HA 0.371 5.111 4.740 -0.000 0.000 0.300 490 N C 0.543 176.135 175.510 0.137 0.000 1.567 490 N CA -0.825 52.291 53.050 0.110 0.000 0.821 490 N CB 0.839 39.355 38.487 0.047 0.000 1.748 490 N HN 0.206 nan 8.380 nan 0.000 0.603 491 K N -0.488 119.943 120.400 0.052 0.000 2.296 491 K HA 0.173 4.493 4.320 -0.000 0.000 0.200 491 K C 0.950 177.529 176.600 -0.035 0.000 1.048 491 K CA 0.781 57.085 56.287 0.028 0.000 0.966 491 K CB -0.288 32.205 32.500 -0.012 0.000 0.754 491 K HN 0.437 nan 8.250 nan 0.000 0.466 492 L N 1.098 122.267 121.223 -0.091 0.000 2.068 492 L HA -0.048 4.292 4.340 -0.000 0.000 0.204 492 L C 1.718 178.641 176.870 0.089 0.000 1.076 492 L CA 1.437 56.199 54.840 -0.130 0.000 0.753 492 L CB -0.591 41.372 42.059 -0.161 0.000 0.910 492 L HN 0.288 nan 8.230 nan 0.000 0.439 493 N N -1.393 117.320 118.700 0.021 0.000 2.354 493 N HA -0.096 4.644 4.740 -0.000 0.000 0.179 493 N C -0.359 174.911 175.510 -0.401 0.000 1.021 493 N CA 0.664 53.645 53.050 -0.115 0.000 0.887 493 N CB 0.239 38.621 38.487 -0.175 0.000 0.974 493 N HN 0.216 nan 8.380 nan 0.000 0.437 494 Y N 0.401 120.762 120.300 0.102 0.000 2.584 494 Y HA 0.347 4.897 4.550 -0.000 0.000 0.358 494 Y C -2.379 173.542 175.900 0.036 0.000 1.028 494 Y CA -2.268 55.868 58.100 0.060 0.000 1.148 494 Y CB 0.782 39.275 38.460 0.054 0.000 1.126 494 Y HN -0.042 nan 8.280 nan 0.000 0.658 495 P HA 0.110 nan 4.420 nan 0.000 0.274 495 P C -1.968 175.370 177.300 0.063 0.000 1.237 495 P CA -1.325 61.836 63.100 0.102 0.000 0.793 495 P CB 1.297 33.083 31.700 0.144 0.000 0.977 496 P HA -0.059 nan 4.420 nan 0.000 0.218 496 P C 0.156 177.390 177.300 -0.110 0.000 1.149 496 P CA 1.234 64.370 63.100 0.060 0.000 0.817 496 P CB 0.086 31.871 31.700 0.140 0.000 0.785 497 F N 1.016 120.726 119.950 -0.400 0.000 2.449 497 F HA 0.458 4.985 4.527 -0.000 0.000 0.342 497 F C -0.769 174.873 175.800 -0.264 0.000 1.127 497 F CA -0.668 56.952 58.000 -0.634 0.000 0.975 497 F CB 1.312 39.742 39.000 -0.950 0.000 1.146 497 F HN -0.386 nan 8.300 nan 0.000 0.444 498 T N 8.145 122.148 114.554 -0.918 0.000 2.758 498 T HA 0.426 4.775 4.350 -0.000 0.000 0.285 498 T C -2.557 171.491 174.700 -1.086 0.000 0.981 498 T CA -1.267 60.372 62.100 -0.769 0.000 0.965 498 T CB 1.327 69.962 68.868 -0.388 0.000 0.927 498 T HN 0.331 nan 8.240 nan 0.000 0.448 499 P HA 0.221 nan 4.420 nan 0.000 0.275 499 P C 0.154 177.286 177.300 -0.280 0.000 1.266 499 P CA -0.515 62.271 63.100 -0.522 0.000 0.793 499 P CB 0.534 32.124 31.700 -0.183 0.000 1.074 500 D N -0.070 120.255 120.400 -0.124 0.000 2.644 500 D HA 0.017 4.657 4.640 -0.000 0.000 0.252 500 D C 0.308 176.577 176.300 -0.052 0.000 1.254 500 D CA -0.089 53.865 54.000 -0.077 0.000 0.884 500 D CB -1.466 39.316 40.800 -0.031 0.000 1.034 500 D HN 0.264 nan 8.370 nan 0.000 0.473 501 I N -2.442 118.082 120.570 -0.077 0.000 2.836 501 I HA 0.124 4.294 4.170 -0.000 0.000 0.285 501 I C 0.286 176.384 176.117 -0.031 0.000 1.174 501 I CA -1.038 60.244 61.300 -0.030 0.000 1.405 501 I CB 0.598 38.575 38.000 -0.039 0.000 1.385 501 I HN -0.169 nan 8.210 nan 0.000 0.594 502 L N 6.030 127.255 121.223 0.004 0.000 2.490 502 L HA 0.095 4.435 4.340 -0.000 0.000 0.274 502 L C 0.363 177.218 176.870 -0.026 0.000 1.201 502 L CA 1.099 55.938 54.840 -0.002 0.000 0.869 502 L CB -0.463 41.607 42.059 0.019 0.000 1.123 502 L HN 0.882 nan 8.230 nan 0.000 0.484 503 D N 1.987 122.366 120.400 -0.035 0.000 2.837 503 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 503 D C 0.187 176.437 176.300 -0.085 0.000 1.033 503 D CA 1.012 54.978 54.000 -0.056 0.000 1.021 503 D CB -0.545 40.214 40.800 -0.069 0.000 1.101 503 D HN 0.769 nan 8.370 nan 0.000 0.431 504 K N -1.270 119.073 120.400 -0.095 0.000 3.012 504 K HA -0.206 4.114 4.320 -0.000 0.000 0.259 504 K C -0.149 176.361 176.600 -0.151 0.000 0.989 504 K CA 0.707 56.919 56.287 -0.124 0.000 0.728 504 K CB -1.491 30.951 32.500 -0.096 0.000 1.260 504 K HN 0.540 nan 8.250 nan 0.000 0.480 505 L N -0.356 120.750 121.223 -0.194 0.000 2.541 505 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 505 L C 1.072 177.746 176.870 -0.327 0.000 0.966 505 L CA -0.409 54.251 54.840 -0.300 0.000 0.871 505 L CB 1.254 43.093 42.059 -0.367 0.000 1.232 505 L HN -0.038 nan 8.230 nan 0.000 0.408 506 M N 3.308 122.721 119.600 -0.312 0.000 2.144 506 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 506 M C 1.180 177.449 176.300 -0.053 0.000 1.067 506 M CA 2.105 57.273 55.300 -0.220 0.000 1.095 506 M CB -0.896 31.581 32.600 -0.206 0.000 1.365 506 M HN 0.844 nan 8.290 nan 0.000 0.406 507 Y N -1.743 118.479 120.300 -0.131 0.000 2.468 507 Y HA 0.469 5.019 4.550 -0.000 0.000 0.268 507 Y C 0.907 176.775 175.900 -0.054 0.000 1.177 507 Y CA -0.713 57.332 58.100 -0.091 0.000 1.265 507 Y CB -0.654 37.740 38.460 -0.110 0.000 1.103 507 Y HN -0.058 nan 8.280 nan 0.000 0.522 508 S N 2.240 117.796 115.700 -0.240 0.000 2.525 508 S HA 0.143 4.613 4.470 -0.000 0.000 0.285 508 S C 0.837 175.431 174.600 -0.009 0.000 1.283 508 S CA -0.045 58.067 58.200 -0.147 0.000 1.072 508 S CB 0.073 63.178 63.200 -0.159 0.000 0.867 508 S HN 0.601 nan 8.310 nan 0.000 0.492 509 K N 1.568 121.988 120.400 0.033 0.000 3.407 509 K HA -0.143 4.177 4.320 -0.000 0.000 0.312 509 K C 0.045 176.666 176.600 0.035 0.000 1.302 509 K CA 1.682 58.005 56.287 0.060 0.000 0.931 509 K CB -1.904 30.638 32.500 0.070 0.000 1.257 509 K HN 0.767 nan 8.250 nan 0.000 0.454 510 T N -1.801 112.774 114.554 0.034 0.000 2.618 510 T HA 0.729 5.079 4.350 -0.000 0.000 0.293 510 T C -0.616 174.062 174.700 -0.038 0.000 1.093 510 T CA -0.401 61.687 62.100 -0.021 0.000 1.061 510 T CB 0.590 69.498 68.868 0.067 0.000 1.498 510 T HN 0.357 nan 8.240 nan 0.000 0.494 511 I N -0.201 120.295 120.570 -0.124 0.000 2.918 511 I HA 0.655 4.825 4.170 -0.000 0.000 0.316 511 I C 0.355 176.446 176.117 -0.043 0.000 1.001 511 I CA -1.045 60.176 61.300 -0.131 0.000 1.142 511 I CB 0.584 38.413 38.000 -0.284 0.000 1.356 511 I HN 0.560 nan 8.210 nan 0.000 0.524 512 C N 3.429 122.673 119.300 -0.094 0.000 2.665 512 C HA 0.035 4.495 4.460 -0.000 0.000 0.416 512 C C 1.974 176.943 174.990 -0.034 0.000 1.305 512 C CA -0.379 58.558 59.018 -0.136 0.000 1.903 512 C CB -0.011 27.623 27.740 -0.176 0.000 2.704 512 C HN 0.803 nan 8.230 nan 0.000 0.629 513 M N 2.185 121.784 119.600 -0.002 0.000 2.492 513 M HA -0.021 4.458 4.480 -0.000 0.000 0.262 513 M C 1.318 177.667 176.300 0.081 0.000 1.090 513 M CA 1.276 56.633 55.300 0.094 0.000 1.110 513 M CB -0.936 31.771 32.600 0.178 0.000 1.407 513 M HN 0.819 nan 8.290 nan 0.000 0.470 514 D N -0.390 120.018 120.400 0.013 0.000 2.388 514 D HA 0.253 4.892 4.640 -0.000 0.000 0.221 514 D C 0.337 176.639 176.300 0.002 0.000 1.133 514 D CA -0.123 53.879 54.000 0.003 0.000 0.831 514 D CB -0.392 40.395 40.800 -0.020 0.000 0.962 514 D HN 0.039 nan 8.370 nan 0.000 0.502 515 A N 0.328 123.151 122.820 0.004 0.000 2.425 515 A HA 0.492 4.811 4.320 -0.000 0.000 0.249 515 A C 0.064 177.663 177.584 0.025 0.000 1.084 515 A CA -0.454 51.587 52.037 0.007 0.000 0.781 515 A CB 0.725 19.721 19.000 -0.006 0.000 1.019 515 A HN 0.106 nan 8.150 nan 0.000 0.490 516 V N 2.824 122.753 119.914 0.026 0.000 2.547 516 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 516 V C 0.219 176.333 176.094 0.033 0.000 1.040 516 V CA -0.416 61.904 62.300 0.033 0.000 0.913 516 V CB 1.368 33.208 31.823 0.028 0.000 0.992 516 V HN 1.054 nan 8.190 nan 0.000 0.449 517 Q N 1.326 121.150 119.800 0.040 0.000 2.445 517 Q HA 0.365 4.705 4.340 -0.000 0.000 0.281 517 Q C 1.061 177.078 176.000 0.027 0.000 1.101 517 Q CA -0.740 55.071 55.803 0.014 0.000 0.833 517 Q CB 1.736 30.474 28.738 0.001 0.000 1.416 517 Q HN 0.744 nan 8.270 nan 0.000 0.451 518 N N 0.193 118.874 118.700 -0.032 0.000 2.060 518 N HA -0.179 4.561 4.740 -0.000 0.000 0.195 518 N C 0.695 176.326 175.510 0.201 0.000 1.028 518 N CA 1.637 54.698 53.050 0.018 0.000 0.861 518 N CB 0.116 38.550 38.487 -0.088 0.000 1.029 518 N HN 0.575 nan 8.380 nan 0.000 0.428 519 W N 0.785 122.108 121.300 0.039 0.000 3.047 519 W HA 0.334 4.994 4.660 -0.000 0.000 0.250 519 W C 1.267 177.852 176.519 0.111 0.000 1.314 519 W CA 0.762 58.151 57.345 0.074 0.000 1.540 519 W CB -0.845 28.663 29.460 0.080 0.000 1.127 519 W HN 0.200 nan 8.180 nan 0.000 0.679 520 G N 0.043 109.002 108.800 0.266 0.000 2.369 520 G HA2 0.054 4.013 3.960 -0.000 0.000 0.295 520 G HA3 0.054 4.013 3.960 -0.000 0.000 0.295 520 G C -1.011 173.944 174.900 0.092 0.000 1.298 520 G CA -1.142 44.060 45.100 0.170 0.000 0.940 520 G HN -0.017 nan 8.290 nan 0.000 0.536 521 K N -0.120 120.310 120.400 0.050 0.000 2.295 521 K HA 0.523 4.843 4.320 -0.000 0.000 0.270 521 K C 1.207 177.838 176.600 0.051 0.000 1.011 521 K CA -0.038 56.276 56.287 0.045 0.000 0.953 521 K CB 1.355 33.879 32.500 0.040 0.000 0.956 521 K HN 0.505 nan 8.250 nan 0.000 0.477 522 Q N 1.575 121.420 119.800 0.076 0.000 2.133 522 Q HA -0.283 4.056 4.340 -0.000 0.000 0.208 522 Q C 1.500 177.590 176.000 0.150 0.000 0.991 522 Q CA 1.810 57.675 55.803 0.105 0.000 0.867 522 Q CB -0.573 28.219 28.738 0.091 0.000 0.911 522 Q HN 0.786 nan 8.270 nan 0.000 0.417 523 Y N 0.408 120.718 120.300 0.017 0.000 2.228 523 Y HA -0.312 4.238 4.550 -0.000 0.000 0.285 523 Y C 1.344 177.224 175.900 -0.034 0.000 1.178 523 Y CA 2.286 60.390 58.100 0.007 0.000 1.202 523 Y CB 0.043 38.480 38.460 -0.038 0.000 0.974 523 Y HN 0.273 nan 8.280 nan 0.000 0.527 524 D N -1.401 118.960 120.400 -0.065 0.000 2.338 524 D HA -0.030 4.609 4.640 -0.000 0.000 0.224 524 D C 1.863 177.954 176.300 -0.348 0.000 0.967 524 D CA 1.556 55.274 54.000 -0.469 0.000 0.896 524 D CB -0.102 39.985 40.800 -1.188 0.000 1.028 524 D HN 0.364 nan 8.370 nan 0.000 0.493 525 V N -1.203 118.628 119.914 -0.137 0.000 3.578 525 V HA 0.122 4.242 4.120 -0.000 0.000 0.290 525 V C 1.945 178.058 176.094 0.032 0.000 1.376 525 V CA 0.056 62.361 62.300 0.008 0.000 1.083 525 V CB -0.228 31.680 31.823 0.141 0.000 0.911 525 V HN 0.156 nan 8.190 nan 0.000 0.433 526 H N 2.125 121.166 119.070 -0.049 0.000 2.321 526 H HA -0.183 4.373 4.556 -0.000 0.000 0.295 526 H C 1.878 177.105 175.328 -0.168 0.000 1.102 526 H CA 2.389 58.365 56.048 -0.120 0.000 1.266 526 H CB -0.092 29.551 29.762 -0.197 0.000 1.363 526 H HN 0.548 nan 8.280 nan 0.000 0.492 527 S N 0.302 115.884 115.700 -0.197 0.000 2.607 527 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 527 S C 1.939 176.428 174.600 -0.185 0.000 0.969 527 S CA 0.084 58.161 58.200 -0.206 0.000 0.927 527 S CB 0.084 63.211 63.200 -0.122 0.000 0.772 527 S HN 0.366 nan 8.310 nan 0.000 0.533 528 L N -0.840 120.279 121.223 -0.174 0.000 2.640 528 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 528 L C 1.727 178.635 176.870 0.064 0.000 1.123 528 L CA 0.131 54.925 54.840 -0.077 0.000 0.900 528 L CB -0.369 41.702 42.059 0.020 0.000 1.146 528 L HN 0.239 nan 8.230 nan 0.000 0.484 529 Y N 1.814 122.048 120.300 -0.109 0.000 2.053 529 Y HA -0.283 4.267 4.550 -0.000 0.000 0.277 529 Y C 2.414 178.272 175.900 -0.071 0.000 1.159 529 Y CA 2.110 60.150 58.100 -0.100 0.000 1.125 529 Y CB -0.383 37.980 38.460 -0.162 0.000 0.969 529 Y HN 0.139 nan 8.280 nan 0.000 0.492 530 G N -1.513 107.356 108.800 0.116 0.000 2.421 530 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.216 530 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.216 530 G C 1.540 176.445 174.900 0.008 0.000 1.171 530 G CA 1.028 46.160 45.100 0.054 0.000 0.775 530 G HN 0.563 nan 8.290 nan 0.000 0.543 531 Y N 2.762 123.056 120.300 -0.010 0.000 2.030 531 Y HA -0.331 4.219 4.550 -0.000 0.000 0.272 531 Y C 3.211 179.021 175.900 -0.150 0.000 1.185 531 Y CA 2.599 60.697 58.100 -0.003 0.000 1.120 531 Y CB -0.658 37.859 38.460 0.096 0.000 0.955 531 Y HN 0.327 nan 8.280 nan 0.000 0.495 532 S N -0.420 115.151 115.700 -0.216 0.000 2.399 532 S HA -0.269 4.201 4.470 -0.000 0.000 0.231 532 S C 2.166 176.406 174.600 -0.601 0.000 1.022 532 S CA 1.426 59.356 58.200 -0.450 0.000 0.983 532 S CB -0.722 62.153 63.200 -0.542 0.000 0.803 532 S HN 0.687 nan 8.310 nan 0.000 0.480 533 M N 1.150 120.332 119.600 -0.696 0.000 2.200 533 M HA 0.125 4.604 4.480 -0.000 0.000 0.265 533 M C 2.350 178.235 176.300 -0.691 0.000 1.066 533 M CA 1.363 56.014 55.300 -1.082 0.000 1.127 533 M CB -0.449 31.566 32.600 -0.975 0.000 1.379 533 M HN 0.510 nan 8.290 nan 0.000 0.420 534 A N 0.689 123.256 122.820 -0.422 0.000 1.933 534 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 534 A C 1.928 179.324 177.584 -0.314 0.000 1.175 534 A CA 1.439 53.316 52.037 -0.266 0.000 0.628 534 A CB -0.931 17.995 19.000 -0.124 0.000 0.814 534 A HN 0.587 nan 8.150 nan 0.000 0.444 535 I N -0.273 119.978 120.570 -0.532 0.000 2.179 535 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 535 I C 2.994 178.951 176.117 -0.267 0.000 1.088 535 I CA 1.136 62.110 61.300 -0.543 0.000 1.357 535 I CB -0.414 37.167 38.000 -0.697 0.000 1.051 535 I HN 0.352 nan 8.210 nan 0.000 0.409 536 A N 0.388 123.036 122.820 -0.286 0.000 1.902 536 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 536 A C 2.367 179.977 177.584 0.043 0.000 1.181 536 A CA 2.442 54.407 52.037 -0.121 0.000 0.623 536 A CB -1.103 17.786 19.000 -0.185 0.000 0.818 536 A HN 0.407 nan 8.150 nan 0.000 0.443 537 T N -0.563 113.978 114.554 -0.022 0.000 2.867 537 T HA -0.116 4.233 4.350 -0.000 0.000 0.268 537 T C 1.792 176.562 174.700 0.116 0.000 1.057 537 T CA 1.356 63.565 62.100 0.182 0.000 1.136 537 T CB -0.184 68.773 68.868 0.148 0.000 0.874 537 T HN 0.722 nan 8.240 nan 0.000 0.466 538 E N 0.807 121.028 120.200 0.035 0.000 2.110 538 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 538 E C 2.231 178.873 176.600 0.070 0.000 0.988 538 E CA 1.044 57.477 56.400 0.054 0.000 0.804 538 E CB -0.016 29.715 29.700 0.053 0.000 0.745 538 E HN 0.393 nan 8.360 nan 0.000 0.458 539 Q N 0.138 119.976 119.800 0.063 0.000 2.084 539 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 539 Q C 1.981 178.029 176.000 0.079 0.000 0.978 539 Q CA 1.995 57.839 55.803 0.069 0.000 0.844 539 Q CB -0.275 28.506 28.738 0.071 0.000 0.898 539 Q HN 0.400 nan 8.270 nan 0.000 0.426 540 A N -0.590 122.299 122.820 0.116 0.000 1.902 540 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 540 A C 2.277 179.907 177.584 0.078 0.000 1.181 540 A CA 1.460 53.545 52.037 0.079 0.000 0.623 540 A CB -0.850 18.206 19.000 0.093 0.000 0.818 540 A HN 0.253 nan 8.150 nan 0.000 0.443 541 V N 0.001 120.006 119.914 0.153 0.000 2.332 541 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 541 V C 2.690 178.900 176.094 0.195 0.000 1.055 541 V CA 2.140 64.592 62.300 0.252 0.000 1.038 541 V CB -0.596 31.375 31.823 0.248 0.000 0.651 541 V HN 0.538 nan 8.190 nan 0.000 0.450 542 Q N -0.611 119.254 119.800 0.109 0.000 2.297 542 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 542 Q C 2.123 178.133 176.000 0.016 0.000 0.962 542 Q CA 1.105 56.951 55.803 0.071 0.000 0.879 542 Q CB -0.162 28.610 28.738 0.057 0.000 0.947 542 Q HN 0.547 nan 8.270 nan 0.000 0.462 543 K N -0.378 120.013 120.400 -0.014 0.000 2.393 543 K HA 0.081 4.401 4.320 -0.000 0.000 0.193 543 K C 1.397 177.903 176.600 -0.157 0.000 1.026 543 K CA 0.044 56.293 56.287 -0.064 0.000 1.064 543 K CB 0.678 33.149 32.500 -0.049 0.000 0.833 543 K HN -0.060 nan 8.250 nan 0.000 0.521 544 V N -0.255 119.515 119.914 -0.241 0.000 2.911 544 V HA 0.128 4.248 4.120 -0.000 0.000 0.237 544 V C -0.023 175.617 176.094 -0.757 0.000 1.156 544 V CA 0.404 62.347 62.300 -0.594 0.000 1.180 544 V CB 0.217 31.542 31.823 -0.830 0.000 0.932 544 V HN 0.004 nan 8.190 nan 0.000 0.483 545 F N 2.128 121.988 119.950 -0.150 0.000 2.307 545 F HA 0.514 5.041 4.527 -0.000 0.000 0.369 545 F C -2.615 173.157 175.800 -0.047 0.000 1.076 545 F CA -2.944 54.994 58.000 -0.104 0.000 1.149 545 F CB 0.139 39.103 39.000 -0.059 0.000 1.410 545 F HN 0.031 nan 8.300 nan 0.000 0.481 546 P HA 0.006 nan 4.420 nan 0.000 0.267 546 P C 0.449 177.790 177.300 0.069 0.000 1.209 546 P CA 0.450 63.579 63.100 0.048 0.000 0.763 546 P CB 0.465 32.173 31.700 0.013 0.000 0.816 547 N N 1.084 119.821 118.700 0.061 0.000 2.741 547 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 547 N C -0.807 174.739 175.510 0.059 0.000 1.112 547 N CA 1.097 54.178 53.050 0.052 0.000 0.750 547 N CB -0.764 37.747 38.487 0.040 0.000 1.119 547 N HN 0.335 nan 8.380 nan 0.000 0.561 548 K N 0.235 120.687 120.400 0.086 0.000 2.316 548 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 548 K C 1.121 177.756 176.600 0.058 0.000 0.934 548 K CA -0.649 55.684 56.287 0.075 0.000 0.802 548 K CB 0.982 33.540 32.500 0.096 0.000 1.171 548 K HN 0.109 nan 8.250 nan 0.000 0.426 549 R N 0.546 121.056 120.500 0.017 0.000 2.148 549 R HA -0.072 4.268 4.340 -0.000 0.000 0.223 549 R C 1.092 177.381 176.300 -0.019 0.000 1.088 549 R CA 0.887 56.973 56.100 -0.023 0.000 0.985 549 R CB -0.052 30.200 30.300 -0.080 0.000 0.880 549 R HN 0.897 nan 8.270 nan 0.000 0.451 550 S N -0.441 115.256 115.700 -0.005 0.000 3.938 550 S HA -0.324 4.145 4.470 -0.000 0.000 0.624 550 S C -0.418 174.217 174.600 0.059 0.000 2.186 550 S CA 1.367 59.583 58.200 0.026 0.000 4.144 550 S CB -0.741 62.409 63.200 -0.083 0.000 0.230 550 S HN 0.330 nan 8.310 nan 0.000 0.755 551 F N 0.653 120.557 119.950 -0.076 0.000 2.639 551 F HA 0.691 5.218 4.527 -0.000 0.000 0.326 551 F C -1.350 174.425 175.800 -0.041 0.000 1.150 551 F CA -0.624 57.267 58.000 -0.183 0.000 1.057 551 F CB 0.811 39.644 39.000 -0.278 0.000 1.300 551 F HN 0.545 nan 8.300 nan 0.000 0.486 552 I N 6.985 127.135 120.570 -0.700 0.000 2.499 552 I HA 0.462 4.632 4.170 -0.000 0.000 0.288 552 I C -1.633 173.997 176.117 -0.812 0.000 1.048 552 I CA -0.930 60.052 61.300 -0.529 0.000 1.062 552 I CB 2.020 39.896 38.000 -0.206 0.000 1.238 552 I HN 0.490 nan 8.210 nan 0.000 0.426 553 L N 5.922 126.773 121.223 -0.621 0.000 2.325 553 L HA 0.650 4.990 4.340 -0.000 0.000 0.281 553 L C -0.330 176.553 176.870 0.022 0.000 1.004 553 L CA 0.231 54.801 54.840 -0.449 0.000 0.823 553 L CB 1.834 43.536 42.059 -0.596 0.000 1.236 553 L HN 0.616 nan 8.230 nan 0.000 0.415 554 T N 3.688 118.321 114.554 0.132 0.000 2.885 554 T HA 0.445 4.795 4.350 -0.000 0.000 0.285 554 T C 0.679 175.662 174.700 0.472 0.000 1.019 554 T CA -0.409 61.849 62.100 0.263 0.000 1.010 554 T CB 1.590 70.532 68.868 0.122 0.000 1.022 554 T HN 0.824 nan 8.240 nan 0.000 0.466 555 R N 1.965 122.701 120.500 0.394 0.000 2.023 555 R HA 0.252 4.592 4.340 -0.000 0.000 0.217 555 R C 0.830 177.194 176.300 0.107 0.000 1.255 555 R CA 0.327 56.487 56.100 0.101 0.000 0.981 555 R CB -0.527 29.706 30.300 -0.111 0.000 0.853 555 R HN 0.574 nan 8.270 nan 0.000 0.463 556 S N 0.702 116.471 115.700 0.115 0.000 2.516 556 S HA 0.068 4.538 4.470 -0.000 0.000 0.282 556 S C -0.344 174.337 174.600 0.135 0.000 1.286 556 S CA -0.127 58.157 58.200 0.141 0.000 1.066 556 S CB 0.435 63.714 63.200 0.132 0.000 0.884 556 S HN 0.455 nan 8.310 nan 0.000 0.491 557 T N 2.624 117.264 114.554 0.143 0.000 2.916 557 T HA 0.779 5.129 4.350 -0.000 0.000 0.292 557 T C -0.891 173.998 174.700 0.315 0.000 1.064 557 T CA -0.763 61.458 62.100 0.201 0.000 1.011 557 T CB 1.370 70.318 68.868 0.135 0.000 1.152 557 T HN 0.512 nan 8.240 nan 0.000 0.510 558 F N 0.415 120.460 119.950 0.159 0.000 2.675 558 F HA 0.725 5.252 4.527 -0.000 0.000 0.324 558 F C -0.229 175.621 175.800 0.084 0.000 1.106 558 F CA -1.013 57.040 58.000 0.089 0.000 0.970 558 F CB 1.268 40.244 39.000 -0.040 0.000 1.385 558 F HN 1.026 nan 8.300 nan 0.000 0.489 559 A N 1.688 124.025 122.820 -0.806 0.000 2.583 559 A HA 0.379 4.699 4.320 -0.000 0.000 0.249 559 A C 1.141 178.707 177.584 -0.030 0.000 1.035 559 A CA 1.221 52.997 52.037 -0.435 0.000 0.777 559 A CB -1.496 17.181 19.000 -0.538 0.000 0.942 559 A HN 2.175 nan 8.150 nan 0.000 0.516 560 G N 1.908 110.683 108.800 -0.041 0.000 2.157 560 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 560 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 560 G C 1.130 176.153 174.900 0.206 0.000 0.979 560 G CA 0.716 45.841 45.100 0.040 0.000 0.650 560 G HN 1.091 nan 8.290 nan 0.000 0.529 561 S N -0.029 115.849 115.700 0.296 0.000 2.447 561 S HA 0.071 4.541 4.470 -0.000 0.000 0.233 561 S C 2.504 177.197 174.600 0.155 0.000 1.006 561 S CA 1.638 60.054 58.200 0.360 0.000 0.957 561 S CB -0.319 63.086 63.200 0.342 0.000 0.773 561 S HN 1.226 nan 8.310 nan 0.000 0.507 562 G N 1.363 110.208 108.800 0.076 0.000 2.470 562 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.220 562 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.220 562 G C 1.290 176.129 174.900 -0.101 0.000 1.121 562 G CA 0.484 45.595 45.100 0.018 0.000 0.766 562 G HN 0.448 nan 8.290 nan 0.000 0.553 563 R N -0.529 119.818 120.500 -0.255 0.000 2.152 563 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 563 R C 1.875 177.880 176.300 -0.491 0.000 1.117 563 R CA 1.398 57.224 56.100 -0.455 0.000 0.981 563 R CB -0.116 29.758 30.300 -0.709 0.000 0.870 563 R HN 0.482 nan 8.270 nan 0.000 0.451 564 H N -2.200 116.845 119.070 -0.042 0.000 2.594 564 H HA 0.394 4.950 4.556 -0.000 0.000 0.274 564 H C 0.131 175.404 175.328 -0.091 0.000 0.982 564 H CA 0.732 56.739 56.048 -0.069 0.000 1.228 564 H CB 0.869 30.575 29.762 -0.094 0.000 1.447 564 H HN 0.219 nan 8.280 nan 0.000 0.485 565 A N 0.606 123.438 122.820 0.021 0.000 2.606 565 A HA 0.693 5.012 4.320 -0.000 0.000 0.293 565 A C -0.838 176.692 177.584 -0.090 0.000 1.082 565 A CA -0.123 51.869 52.037 -0.074 0.000 0.685 565 A CB 1.161 20.131 19.000 -0.051 0.000 1.284 565 A HN 0.262 nan 8.150 nan 0.000 0.408 566 A N 0.055 122.738 122.820 -0.228 0.000 2.272 566 A HA 0.688 5.008 4.320 -0.000 0.000 0.275 566 A C -0.196 177.332 177.584 -0.094 0.000 1.096 566 A CA 0.145 52.053 52.037 -0.215 0.000 0.822 566 A CB 0.220 18.941 19.000 -0.465 0.000 1.088 566 A HN 1.587 nan 8.150 nan 0.000 0.495 567 H N -1.452 117.516 119.070 -0.171 0.000 2.821 567 H HA 0.591 5.147 4.556 -0.000 0.000 0.373 567 H C -1.284 174.029 175.328 -0.026 0.000 1.165 567 H CA -0.792 55.190 56.048 -0.109 0.000 1.154 567 H CB 1.206 30.828 29.762 -0.234 0.000 1.765 567 H HN 0.876 nan 8.280 nan 0.000 0.549 568 W N 5.349 126.045 121.300 -1.006 0.000 2.950 568 W HA 0.411 5.071 4.660 -0.000 0.000 0.340 568 W C -0.869 175.062 176.519 -0.980 0.000 1.139 568 W CA -1.130 55.780 57.345 -0.724 0.000 1.188 568 W CB 0.913 30.218 29.460 -0.258 0.000 1.426 568 W HN 0.508 nan 8.180 nan 0.000 0.531 569 L N 3.791 124.575 121.223 -0.731 0.000 2.549 569 L HA 0.198 4.538 4.340 -0.000 0.000 0.229 569 L C 1.334 177.904 176.870 -0.501 0.000 1.158 569 L CA 1.158 55.697 54.840 -0.501 0.000 0.842 569 L CB -1.489 40.502 42.059 -0.114 0.000 0.952 569 L HN 1.036 nan 8.230 nan 0.000 0.452 570 G N 0.405 108.480 108.800 -1.208 0.000 2.508 570 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 570 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 570 G C -0.596 174.234 174.900 -0.117 0.000 1.287 570 G CA -0.279 44.268 45.100 -0.921 0.000 0.916 570 G HN 0.199 nan 8.290 nan 0.000 0.574 571 D N 2.633 123.086 120.400 0.088 0.000 2.801 571 D HA 0.235 4.874 4.640 -0.000 0.000 0.232 571 D C 1.290 177.811 176.300 0.369 0.000 1.128 571 D CA 0.189 54.282 54.000 0.155 0.000 1.003 571 D CB -0.744 40.221 40.800 0.274 0.000 1.110 571 D HN 0.635 nan 8.370 nan 0.000 0.477 572 N N -0.376 118.532 118.700 0.347 0.000 2.263 572 N HA 0.057 4.796 4.740 -0.000 0.000 0.239 572 N C -0.100 175.642 175.510 0.387 0.000 1.317 572 N CA -0.033 53.242 53.050 0.374 0.000 0.909 572 N CB 0.331 39.051 38.487 0.388 0.000 1.171 572 N HN -0.175 nan 8.380 nan 0.000 0.492 573 T N -1.025 113.723 114.554 0.325 0.000 2.887 573 T HA 0.628 4.978 4.350 -0.000 0.000 0.288 573 T C -0.239 174.597 174.700 0.227 0.000 1.021 573 T CA -0.581 61.653 62.100 0.224 0.000 1.000 573 T CB 1.357 70.335 68.868 0.185 0.000 1.034 573 T HN 0.704 nan 8.240 nan 0.000 0.467 574 A N 2.816 125.704 122.820 0.112 0.000 2.981 574 A HA 0.502 4.822 4.320 -0.000 0.000 0.280 574 A C 0.685 178.340 177.584 0.119 0.000 1.797 574 A CA -0.376 51.752 52.037 0.152 0.000 1.456 574 A CB -1.122 17.877 19.000 -0.002 0.000 1.057 574 A HN 0.810 nan 8.150 nan 0.000 0.602 575 S N -0.408 115.363 115.700 0.119 0.000 2.595 575 S HA 0.528 4.998 4.470 -0.000 0.000 0.281 575 S C 0.216 174.712 174.600 -0.174 0.000 1.117 575 S CA -0.774 57.431 58.200 0.007 0.000 0.873 575 S CB 0.517 63.725 63.200 0.013 0.000 1.108 575 S HN 0.495 nan 8.310 nan 0.000 0.477 576 W N 1.067 122.259 121.300 -0.179 0.000 2.358 576 W HA 0.076 4.736 4.660 -0.000 0.000 0.303 576 W C 2.371 178.641 176.519 -0.415 0.000 1.208 576 W CA 1.355 58.533 57.345 -0.278 0.000 1.274 576 W CB -0.486 28.865 29.460 -0.181 0.000 1.138 576 W HN 0.895 nan 8.180 nan 0.000 0.515 577 E N -0.092 119.952 120.200 -0.259 0.000 2.065 577 E HA -0.298 4.052 4.350 -0.000 0.000 0.201 577 E C 2.235 178.105 176.600 -1.217 0.000 1.016 577 E CA 1.689 57.630 56.400 -0.765 0.000 0.818 577 E CB -0.285 28.871 29.700 -0.908 0.000 0.749 577 E HN 0.298 nan 8.360 nan 0.000 0.453 578 Q N -0.236 119.064 119.800 -0.834 0.000 2.124 578 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 578 Q C 2.167 178.022 176.000 -0.242 0.000 0.977 578 Q CA 1.160 56.721 55.803 -0.403 0.000 0.850 578 Q CB -0.221 28.523 28.738 0.011 0.000 0.901 578 Q HN 0.417 nan 8.270 nan 0.000 0.429 579 M N 0.525 119.732 119.600 -0.655 0.000 2.117 579 M HA -0.204 4.275 4.480 -0.000 0.000 0.262 579 M C 2.037 178.091 176.300 -0.410 0.000 1.065 579 M CA 1.569 56.261 55.300 -1.013 0.000 1.114 579 M CB -0.055 31.485 32.600 -1.765 0.000 1.361 579 M HN 0.139 nan 8.290 nan 0.000 0.408 580 E N -0.309 119.697 120.200 -0.324 0.000 2.051 580 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 580 E C 1.624 178.294 176.600 0.116 0.000 0.991 580 E CA 1.657 57.999 56.400 -0.095 0.000 0.799 580 E CB -0.181 29.463 29.700 -0.093 0.000 0.748 580 E HN 0.675 nan 8.360 nan 0.000 0.449 581 W N 0.984 122.312 121.300 0.048 0.000 2.525 581 W HA -0.047 4.613 4.660 -0.000 0.000 0.259 581 W C 2.601 179.172 176.519 0.086 0.000 1.253 581 W CA 1.073 58.466 57.345 0.080 0.000 1.262 581 W CB -1.113 28.405 29.460 0.097 0.000 1.122 581 W HN 0.216 nan 8.180 nan 0.000 0.607 582 S N 0.004 115.877 115.700 0.287 0.000 2.423 582 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 582 S C 1.746 176.430 174.600 0.139 0.000 1.014 582 S CA 1.003 59.340 58.200 0.228 0.000 0.965 582 S CB -0.719 62.670 63.200 0.314 0.000 0.785 582 S HN 0.229 nan 8.310 nan 0.000 0.495 583 I N 2.333 122.987 120.570 0.140 0.000 2.163 583 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 583 I C 3.198 179.299 176.117 -0.027 0.000 1.081 583 I CA 1.743 63.064 61.300 0.035 0.000 1.353 583 I CB -1.053 37.013 38.000 0.109 0.000 1.054 583 I HN 0.545 nan 8.210 nan 0.000 0.407 584 T N -0.546 114.048 114.554 0.065 0.000 2.867 584 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 584 T C 1.956 176.710 174.700 0.091 0.000 1.057 584 T CA 1.267 63.406 62.100 0.064 0.000 1.136 584 T CB -0.718 68.284 68.868 0.224 0.000 0.874 584 T HN 0.428 nan 8.240 nan 0.000 0.466 585 G N 1.201 110.073 108.800 0.119 0.000 2.440 585 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 585 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 585 G C 1.619 176.625 174.900 0.176 0.000 1.154 585 G CA 1.027 46.225 45.100 0.164 0.000 0.767 585 G HN 0.580 nan 8.290 nan 0.000 0.552 586 M N -0.115 119.505 119.600 0.033 0.000 2.156 586 M HA 0.143 4.623 4.480 -0.000 0.000 0.264 586 M C 2.376 178.641 176.300 -0.059 0.000 1.067 586 M CA 1.134 56.418 55.300 -0.027 0.000 1.131 586 M CB -0.152 32.348 32.600 -0.166 0.000 1.368 586 M HN 0.195 nan 8.290 nan 0.000 0.416 587 L N 0.180 121.289 121.223 -0.192 0.000 2.093 587 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 587 L C 2.194 178.924 176.870 -0.234 0.000 1.085 587 L CA 1.287 55.912 54.840 -0.358 0.000 0.755 587 L CB -0.667 40.901 42.059 -0.819 0.000 0.904 587 L HN 0.367 nan 8.230 nan 0.000 0.435 588 E N -0.156 119.981 120.200 -0.106 0.000 2.077 588 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 588 E C 2.014 178.074 176.600 -0.901 0.000 0.989 588 E CA 1.396 57.579 56.400 -0.361 0.000 0.800 588 E CB -0.084 29.455 29.700 -0.268 0.000 0.746 588 E HN 0.332 nan 8.360 nan 0.000 0.452 589 F N 0.477 120.214 119.950 -0.354 0.000 2.365 589 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 589 F C 2.428 178.188 175.800 -0.067 0.000 1.090 589 F CA 0.624 58.564 58.000 -0.101 0.000 1.408 589 F CB 0.019 39.112 39.000 0.155 0.000 1.060 589 F HN -0.081 nan 8.300 nan 0.000 0.534 590 S N 0.418 116.119 115.700 0.001 0.000 2.368 590 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 590 S C 2.138 176.731 174.600 -0.011 0.000 1.030 590 S CA 1.085 59.268 58.200 -0.028 0.000 0.999 590 S CB -0.455 62.680 63.200 -0.109 0.000 0.844 590 S HN 0.324 nan 8.310 nan 0.000 0.459 591 L N -0.086 121.086 121.223 -0.084 0.000 2.093 591 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 591 L C 1.768 178.753 176.870 0.191 0.000 1.085 591 L CA 1.001 55.871 54.840 0.051 0.000 0.755 591 L CB -0.614 41.432 42.059 -0.022 0.000 0.904 591 L HN 0.272 nan 8.230 nan 0.000 0.435 592 F N 0.380 120.392 119.950 0.104 0.000 2.748 592 F HA 0.186 4.712 4.527 -0.000 0.000 0.299 592 F C 1.872 177.764 175.800 0.153 0.000 1.154 592 F CA 0.343 58.392 58.000 0.081 0.000 1.446 592 F CB -1.109 37.803 39.000 -0.147 0.000 1.112 592 F HN 0.209 nan 8.300 nan 0.000 0.584 593 G N 0.874 109.825 108.800 0.252 0.000 2.132 593 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 593 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 593 G C 0.145 175.118 174.900 0.121 0.000 0.989 593 G CA -0.011 45.163 45.100 0.123 0.000 0.676 593 G HN 0.360 nan 8.290 nan 0.000 0.522 594 I N 1.077 121.782 120.570 0.225 0.000 2.479 594 I HA 0.253 4.423 4.170 -0.000 0.000 0.279 594 I C -1.045 175.199 176.117 0.211 0.000 1.102 594 I CA -2.277 59.167 61.300 0.240 0.000 1.196 594 I CB 1.437 39.668 38.000 0.385 0.000 1.427 594 I HN -0.094 nan 8.210 nan 0.000 0.503 595 P HA -0.075 nan 4.420 nan 0.000 0.224 595 P C 0.631 178.048 177.300 0.196 0.000 1.157 595 P CA 0.478 63.618 63.100 0.066 0.000 0.799 595 P CB 0.574 32.207 31.700 -0.112 0.000 0.809 596 L N 1.196 122.614 121.223 0.325 0.000 2.401 596 L HA 0.337 4.677 4.340 -0.000 0.000 0.283 596 L C -0.442 176.533 176.870 0.174 0.000 1.151 596 L CA -0.162 54.871 54.840 0.323 0.000 0.942 596 L CB -0.385 41.758 42.059 0.140 0.000 1.283 596 L HN -0.257 nan 8.230 nan 0.000 0.442 597 V N 4.068 124.115 119.914 0.221 0.000 3.049 597 V HA 1.017 5.137 4.120 -0.000 0.000 0.309 597 V C -0.129 176.061 176.094 0.161 0.000 1.148 597 V CA 0.346 62.729 62.300 0.138 0.000 0.990 597 V CB 2.009 33.873 31.823 0.067 0.000 1.039 597 V HN 0.768 nan 8.190 nan 0.000 0.430 598 G N 2.752 111.607 108.800 0.091 0.000 2.561 598 G HA2 0.902 4.861 3.960 -0.000 0.000 0.310 598 G HA3 0.902 4.861 3.960 -0.000 0.000 0.310 598 G C -1.273 173.491 174.900 -0.226 0.000 1.292 598 G CA -0.016 44.925 45.100 -0.266 0.000 0.811 598 G HN 1.559 nan 8.290 nan 0.000 0.482 599 A N -0.716 121.879 122.820 -0.375 0.000 2.479 599 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 599 A C -1.200 176.494 177.584 0.184 0.000 1.121 599 A CA -0.598 51.464 52.037 0.042 0.000 0.743 599 A CB 1.358 20.446 19.000 0.147 0.000 1.323 599 A HN 0.424 nan 8.150 nan 0.000 0.415 600 D N 1.896 122.423 120.400 0.211 0.000 2.357 600 D HA 0.197 4.837 4.640 -0.000 0.000 0.265 600 D C 0.296 176.432 176.300 -0.272 0.000 1.334 600 D CA 0.796 54.847 54.000 0.086 0.000 0.984 600 D CB -0.112 40.839 40.800 0.250 0.000 1.077 600 D HN 0.391 nan 8.370 nan 0.000 0.514 601 I N 1.108 121.516 120.570 -0.270 0.000 2.815 601 I HA -0.182 3.988 4.170 -0.000 0.000 0.291 601 I C 1.344 176.958 176.117 -0.837 0.000 1.209 601 I CA -0.178 60.718 61.300 -0.673 0.000 1.431 601 I CB 0.352 38.272 38.000 -0.134 0.000 1.351 601 I HN 0.570 nan 8.210 nan 0.000 0.585 602 c N 3.630 121.476 118.600 -1.256 0.000 5.399 602 c HA -0.140 4.429 4.570 -0.000 0.000 0.295 602 c C 0.905 174.609 174.090 -0.643 0.000 2.089 602 c CA 0.474 56.464 56.329 -0.565 0.000 1.915 602 c CB -2.642 39.772 42.510 -0.160 0.000 2.713 602 c HN 1.605 nan 8.230 nan 0.000 0.480 603 G N -1.415 106.775 108.800 -1.016 0.000 3.209 603 G HA2 0.095 4.054 3.960 -0.000 0.000 0.686 603 G HA3 0.095 4.054 3.960 -0.000 0.000 0.686 603 G C -0.335 174.488 174.900 -0.128 0.000 1.065 603 G CA 0.065 44.891 45.100 -0.456 0.000 0.812 603 G HN 1.025 nan 8.290 nan 0.000 0.573 604 F N 3.042 122.936 119.950 -0.093 0.000 2.025 604 F HA 0.290 4.817 4.527 -0.000 0.000 0.291 604 F C 1.807 177.584 175.800 -0.038 0.000 1.150 604 F CA 1.791 59.787 58.000 -0.006 0.000 1.166 604 F CB -0.385 38.722 39.000 0.178 0.000 0.995 604 F HN 0.517 nan 8.300 nan 0.000 0.474 605 V N 1.650 121.545 119.914 -0.032 0.000 2.843 605 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 605 V C 0.327 176.114 176.094 -0.511 0.000 1.065 605 V CA -0.393 61.761 62.300 -0.243 0.000 1.116 605 V CB -0.308 31.574 31.823 0.098 0.000 0.968 605 V HN 0.836 nan 8.190 nan 0.000 0.487 606 A N 3.615 125.692 122.820 -1.239 0.000 2.441 606 A HA -0.114 4.206 4.320 -0.000 0.000 0.686 606 A C -0.026 177.011 177.584 -0.912 0.000 0.143 606 A CA -0.055 51.307 52.037 -1.125 0.000 0.029 606 A CB -0.832 17.961 19.000 -0.346 0.000 3.973 606 A HN 0.852 nan 8.150 nan 0.000 0.548 607 E N 0.461 120.391 120.200 -0.450 0.000 2.344 607 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 607 E C 0.756 177.319 176.600 -0.063 0.000 1.021 607 E CA 0.700 57.023 56.400 -0.129 0.000 0.887 607 E CB 0.835 30.558 29.700 0.039 0.000 0.997 607 E HN 0.736 nan 8.360 nan 0.000 0.429 608 T N 1.929 116.477 114.554 -0.011 0.000 2.788 608 T HA 0.194 4.544 4.350 -0.000 0.000 0.280 608 T C -0.071 174.706 174.700 0.128 0.000 0.984 608 T CA -0.210 61.920 62.100 0.051 0.000 0.972 608 T CB 0.934 69.840 68.868 0.063 0.000 1.039 608 T HN 0.320 nan 8.240 nan 0.000 0.530 609 T N 2.116 116.738 114.554 0.113 0.000 2.932 609 T HA 0.294 4.644 4.350 -0.000 0.000 0.289 609 T C 1.126 175.877 174.700 0.084 0.000 1.039 609 T CA -0.731 61.456 62.100 0.145 0.000 1.024 609 T CB 1.722 70.689 68.868 0.166 0.000 1.090 609 T HN 0.703 nan 8.240 nan 0.000 0.496 610 E N 1.425 121.683 120.200 0.097 0.000 2.085 610 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 610 E C 1.743 178.290 176.600 -0.087 0.000 0.994 610 E CA 1.572 57.925 56.400 -0.078 0.000 0.801 610 E CB 0.096 29.821 29.700 0.042 0.000 0.743 610 E HN 0.800 nan 8.360 nan 0.000 0.453 611 E N -0.064 120.172 120.200 0.060 0.000 2.047 611 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 611 E C 2.390 179.036 176.600 0.077 0.000 0.987 611 E CA 0.866 57.352 56.400 0.143 0.000 0.799 611 E CB -0.107 29.775 29.700 0.303 0.000 0.752 611 E HN 0.176 nan 8.360 nan 0.000 0.449 612 L N 0.735 121.941 121.223 -0.029 0.000 2.046 612 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 612 L C 2.500 179.238 176.870 -0.220 0.000 1.077 612 L CA 1.678 56.236 54.840 -0.470 0.000 0.747 612 L CB -0.796 40.979 42.059 -0.474 0.000 0.896 612 L HN 0.301 nan 8.230 nan 0.000 0.432 613 c N -0.266 118.257 118.600 -0.128 0.000 2.453 613 c HA -0.133 4.437 4.570 -0.000 0.000 0.277 613 c C 3.059 177.076 174.090 -0.122 0.000 1.262 613 c CA 1.050 57.313 56.329 -0.111 0.000 1.718 613 c CB -0.786 41.572 42.510 -0.252 0.000 2.031 613 c HN 0.678 nan 8.230 nan 0.000 0.480 614 R N 0.137 120.527 120.500 -0.182 0.000 2.094 614 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 614 R C 2.437 178.704 176.300 -0.054 0.000 1.137 614 R CA 1.738 57.769 56.100 -0.115 0.000 0.943 614 R CB -0.261 29.983 30.300 -0.094 0.000 0.850 614 R HN 0.407 nan 8.270 nan 0.000 0.433 615 R N -0.252 120.213 120.500 -0.057 0.000 2.096 615 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 615 R C 1.947 178.209 176.300 -0.063 0.000 1.127 615 R CA 1.009 57.069 56.100 -0.065 0.000 0.968 615 R CB -0.938 29.328 30.300 -0.056 0.000 0.861 615 R HN 0.480 nan 8.270 nan 0.000 0.440 616 W N 0.842 122.003 121.300 -0.232 0.000 2.402 616 W HA -0.025 4.635 4.660 -0.000 0.000 0.286 616 W C 1.746 178.167 176.519 -0.163 0.000 1.221 616 W CA 0.687 57.919 57.345 -0.188 0.000 1.257 616 W CB -0.128 29.230 29.460 -0.171 0.000 1.120 616 W HN 0.002 nan 8.180 nan 0.000 0.551 617 M N 0.286 119.945 119.600 0.098 0.000 2.117 617 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 617 M C 1.966 178.224 176.300 -0.069 0.000 1.065 617 M CA 1.568 56.855 55.300 -0.023 0.000 1.114 617 M CB -1.546 31.014 32.600 -0.068 0.000 1.361 617 M HN 0.124 nan 8.290 nan 0.000 0.408 618 Q N -0.175 119.586 119.800 -0.066 0.000 2.045 618 Q HA -0.231 4.108 4.340 -0.000 0.000 0.206 618 Q C 2.114 178.061 176.000 -0.088 0.000 0.991 618 Q CA 1.549 57.262 55.803 -0.149 0.000 0.851 618 Q CB -0.519 28.079 28.738 -0.233 0.000 0.911 618 Q HN 0.347 nan 8.270 nan 0.000 0.418 619 L N 0.475 121.654 121.223 -0.073 0.000 1.994 619 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 619 L C 2.146 178.888 176.870 -0.214 0.000 1.071 619 L CA 2.359 57.163 54.840 -0.061 0.000 0.745 619 L CB -1.061 40.934 42.059 -0.107 0.000 0.892 619 L HN 0.197 nan 8.230 nan 0.000 0.431 620 G N -1.213 107.396 108.800 -0.318 0.000 2.498 620 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 620 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 620 G C 1.499 176.295 174.900 -0.173 0.000 1.119 620 G CA 0.625 45.439 45.100 -0.476 0.000 0.766 620 G HN 0.659 nan 8.290 nan 0.000 0.552 621 A N -0.193 122.493 122.820 -0.224 0.000 2.172 621 A HA 0.309 4.629 4.320 -0.000 0.000 0.216 621 A C 1.383 178.567 177.584 -0.666 0.000 1.154 621 A CA 0.614 52.390 52.037 -0.434 0.000 0.701 621 A CB -0.273 18.375 19.000 -0.586 0.000 0.789 621 A HN 0.341 nan 8.150 nan 0.000 0.465 622 F N -2.812 117.186 119.950 0.081 0.000 2.724 622 F HA 0.320 4.846 4.527 -0.000 0.000 0.310 622 F C -0.307 175.937 175.800 0.740 0.000 1.107 622 F CA -1.106 57.037 58.000 0.238 0.000 1.218 622 F CB 0.144 39.000 39.000 -0.240 0.000 1.042 622 F HN 0.015 nan 8.300 nan 0.000 0.540 623 Y N 2.276 122.918 120.300 0.570 0.000 2.425 623 Y HA 0.164 4.714 4.550 -0.000 0.000 0.331 623 Y C -1.224 174.952 175.900 0.460 0.000 1.157 623 Y CA -3.128 55.232 58.100 0.433 0.000 1.372 623 Y CB 0.009 38.627 38.460 0.264 0.000 1.253 623 Y HN -0.091 nan 8.280 nan 0.000 0.536 624 P HA -0.211 nan 4.420 nan 0.000 0.214 624 P C -0.040 177.512 177.300 0.421 0.000 1.163 624 P CA 1.466 64.786 63.100 0.367 0.000 0.889 624 P CB 0.106 31.969 31.700 0.272 0.000 0.790 625 F N 0.035 120.130 119.950 0.242 0.000 2.391 625 F HA 0.508 5.035 4.527 -0.000 0.000 0.359 625 F C -0.093 175.858 175.800 0.252 0.000 1.122 625 F CA -1.150 56.956 58.000 0.176 0.000 1.120 625 F CB 0.716 39.779 39.000 0.106 0.000 1.142 625 F HN -0.303 nan 8.300 nan 0.000 0.483 626 S N 7.812 123.307 115.700 -0.341 0.000 2.601 626 S HA 0.541 5.011 4.470 -0.000 0.000 0.312 626 S C -0.802 173.580 174.600 -0.364 0.000 1.107 626 S CA -0.616 57.528 58.200 -0.094 0.000 1.129 626 S CB 0.057 63.405 63.200 0.247 0.000 0.982 626 S HN 0.866 nan 8.310 nan 0.000 0.469 627 R N 4.056 124.295 120.500 -0.434 0.000 2.533 627 R HA 0.311 4.651 4.340 -0.000 0.000 0.288 627 R C -1.430 174.758 176.300 -0.187 0.000 1.039 627 R CA -0.623 55.182 56.100 -0.491 0.000 0.909 627 R CB 0.927 30.778 30.300 -0.749 0.000 1.195 627 R HN 0.574 nan 8.270 nan 0.000 0.438 628 N N 2.773 121.366 118.700 -0.177 0.000 2.422 628 N HA 0.106 4.845 4.740 -0.000 0.000 0.264 628 N C -1.541 173.984 175.510 0.026 0.000 1.063 628 N CA 0.188 53.229 53.050 -0.016 0.000 0.959 628 N CB 0.809 39.364 38.487 0.113 0.000 1.087 628 N HN 0.615 nan 8.380 nan 0.000 0.483 629 H N 2.109 121.145 119.070 -0.057 0.000 2.930 629 H HA 0.503 5.058 4.556 -0.000 0.000 0.371 629 H C -1.443 173.972 175.328 0.146 0.000 1.169 629 H CA -0.684 55.388 56.048 0.039 0.000 1.157 629 H CB 1.149 30.911 29.762 0.001 0.000 1.789 629 H HN 0.568 nan 8.280 nan 0.000 0.547 630 N N 1.273 119.753 118.700 -0.366 0.000 2.329 630 N HA 0.361 5.100 4.740 -0.000 0.000 0.282 630 N C -1.407 173.845 175.510 -0.430 0.000 1.198 630 N CA -0.481 52.396 53.050 -0.288 0.000 0.790 630 N CB 2.518 40.883 38.487 -0.203 0.000 1.579 630 N HN 0.493 nan 8.380 nan 0.000 0.475 631 S N 0.369 115.696 115.700 -0.620 0.000 2.652 631 S HA 0.252 4.722 4.470 -0.000 0.000 0.270 631 S C -0.557 173.843 174.600 -0.335 0.000 1.243 631 S CA -0.464 57.341 58.200 -0.659 0.000 0.999 631 S CB 0.444 63.030 63.200 -1.023 0.000 0.973 631 S HN 0.578 nan 8.310 nan 0.000 0.544 632 D N 0.551 120.591 120.400 -0.601 0.000 2.525 632 D HA 0.330 4.970 4.640 -0.000 0.000 0.235 632 D C 1.255 177.102 176.300 -0.756 0.000 1.137 632 D CA 2.108 55.508 54.000 -0.999 0.000 0.868 632 D CB 0.233 39.959 40.800 -1.790 0.000 1.180 632 D HN 0.807 nan 8.370 nan 0.000 0.465 633 G N 2.489 110.889 108.800 -0.666 0.000 2.729 633 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 633 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 633 G C 0.131 174.677 174.900 -0.591 0.000 1.252 633 G CA 0.224 44.924 45.100 -0.667 0.000 0.751 633 G HN 0.523 nan 8.290 nan 0.000 0.527 634 Y N 2.024 122.125 120.300 -0.332 0.000 2.357 634 Y HA 0.554 5.104 4.550 -0.000 0.000 0.340 634 Y C 0.966 176.646 175.900 -0.367 0.000 1.260 634 Y CA -0.057 57.869 58.100 -0.290 0.000 1.425 634 Y CB 0.365 38.674 38.460 -0.253 0.000 1.326 634 Y HN 0.328 nan 8.280 nan 0.000 0.580 635 E N 1.117 121.225 120.200 -0.154 0.000 2.413 635 E HA -0.008 4.342 4.350 -0.000 0.000 0.263 635 E C -0.963 175.340 176.600 -0.494 0.000 1.015 635 E CA 0.002 56.190 56.400 -0.354 0.000 0.916 635 E CB 0.020 29.587 29.700 -0.221 0.000 0.947 635 E HN 0.498 nan 8.360 nan 0.000 0.440 636 H N 2.215 120.890 119.070 -0.659 0.000 3.152 636 H HA -0.081 4.475 4.556 -0.000 0.000 0.319 636 H C 0.541 175.437 175.328 -0.719 0.000 0.994 636 H CA 1.309 56.934 56.048 -0.704 0.000 1.370 636 H CB 0.492 29.758 29.762 -0.827 0.000 1.322 636 H HN 0.478 nan 8.280 nan 0.000 0.590 637 Q N 1.835 121.538 119.800 -0.162 0.000 2.135 637 Q HA 0.102 4.442 4.340 -0.000 0.000 0.222 637 Q C -0.814 175.337 176.000 0.253 0.000 0.808 637 Q CA -0.458 55.397 55.803 0.087 0.000 1.049 637 Q CB 0.068 28.889 28.738 0.140 0.000 1.168 637 Q HN 0.755 nan 8.270 nan 0.000 0.483 638 D N 0.439 120.920 120.400 0.136 0.000 2.443 638 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 638 D C -1.712 174.779 176.300 0.320 0.000 1.136 638 D CA -1.261 52.846 54.000 0.177 0.000 0.879 638 D CB 1.067 41.910 40.800 0.071 0.000 1.195 638 D HN -0.162 nan 8.370 nan 0.000 0.443 639 P HA -0.255 nan 4.420 nan 0.000 0.216 639 P C 1.261 178.775 177.300 0.358 0.000 1.157 639 P CA 2.167 65.478 63.100 0.352 0.000 0.880 639 P CB -0.061 31.743 31.700 0.172 0.000 0.791 640 A N -1.649 121.290 122.820 0.200 0.000 2.121 640 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 640 A C 1.985 179.634 177.584 0.108 0.000 1.154 640 A CA 0.880 52.997 52.037 0.133 0.000 0.679 640 A CB -1.842 17.201 19.000 0.073 0.000 0.795 640 A HN 0.169 nan 8.150 nan 0.000 0.458 641 F N -0.154 119.770 119.950 -0.043 0.000 2.202 641 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 641 F C 1.318 176.960 175.800 -0.263 0.000 1.082 641 F CA 1.296 59.167 58.000 -0.215 0.000 1.313 641 F CB -0.288 38.486 39.000 -0.376 0.000 1.024 641 F HN 0.228 nan 8.300 nan 0.000 0.495 642 F N 1.082 121.033 119.950 0.002 0.000 2.802 642 F HA 0.326 4.853 4.527 -0.000 0.000 0.300 642 F C 1.147 176.880 175.800 -0.111 0.000 1.168 642 F CA 0.701 58.659 58.000 -0.071 0.000 1.433 642 F CB -0.633 38.406 39.000 0.065 0.000 1.115 642 F HN 0.084 nan 8.300 nan 0.000 0.582 643 G N 0.410 109.208 108.800 -0.003 0.000 3.055 643 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.685 643 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.685 643 G C 0.196 175.111 174.900 0.026 0.000 1.212 643 G CA -0.833 44.255 45.100 -0.020 0.000 0.822 643 G HN -0.015 nan 8.290 nan 0.000 0.610 644 Q N 1.018 120.823 119.800 0.009 0.000 2.234 644 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 644 Q C 1.744 177.756 176.000 0.021 0.000 0.980 644 Q CA 1.733 57.548 55.803 0.020 0.000 0.869 644 Q CB 0.086 28.831 28.738 0.012 0.000 0.912 644 Q HN 0.709 nan 8.270 nan 0.000 0.436 645 N N 0.735 119.444 118.700 0.015 0.000 2.279 645 N HA 0.015 4.755 4.740 -0.000 0.000 0.226 645 N C -0.373 175.150 175.510 0.022 0.000 1.126 645 N CA -0.244 52.815 53.050 0.015 0.000 0.846 645 N CB 0.622 39.114 38.487 0.008 0.000 1.050 645 N HN 0.123 nan 8.380 nan 0.000 0.502 646 S N -0.332 115.389 115.700 0.036 0.000 2.624 646 S HA 0.099 4.569 4.470 -0.000 0.000 0.263 646 S C 1.045 175.663 174.600 0.031 0.000 1.287 646 S CA -0.668 57.559 58.200 0.046 0.000 0.990 646 S CB 1.080 64.333 63.200 0.087 0.000 0.950 646 S HN 0.086 nan 8.310 nan 0.000 0.561 647 L N 0.789 122.027 121.223 0.026 0.000 2.240 647 L HA 0.238 4.578 4.340 -0.000 0.000 0.211 647 L C 1.970 178.843 176.870 0.006 0.000 1.106 647 L CA 1.201 56.050 54.840 0.016 0.000 0.793 647 L CB -0.991 41.078 42.059 0.016 0.000 0.927 647 L HN 0.901 nan 8.230 nan 0.000 0.446 648 L N -1.842 119.376 121.223 -0.008 0.000 2.027 648 L HA -0.140 4.199 4.340 -0.000 0.000 0.206 648 L C 2.288 179.155 176.870 -0.006 0.000 1.074 648 L CA 1.222 56.034 54.840 -0.046 0.000 0.745 648 L CB -0.199 41.762 42.059 -0.163 0.000 0.898 648 L HN 0.052 nan 8.230 nan 0.000 0.433 649 V N 0.293 120.227 119.914 0.034 0.000 2.343 649 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 649 V C 2.576 178.675 176.094 0.009 0.000 1.051 649 V CA 2.219 64.542 62.300 0.039 0.000 1.036 649 V CB -0.570 31.289 31.823 0.061 0.000 0.654 649 V HN 0.510 nan 8.190 nan 0.000 0.451 650 K N -0.167 120.237 120.400 0.006 0.000 2.063 650 K HA -0.208 4.111 4.320 -0.000 0.000 0.208 650 K C 2.441 179.027 176.600 -0.023 0.000 1.048 650 K CA 1.946 58.227 56.287 -0.011 0.000 0.928 650 K CB -0.346 32.151 32.500 -0.006 0.000 0.713 650 K HN 0.387 nan 8.250 nan 0.000 0.442 651 S N -0.394 115.310 115.700 0.006 0.000 2.357 651 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 651 S C 1.909 176.556 174.600 0.078 0.000 1.031 651 S CA 1.625 59.860 58.200 0.059 0.000 0.982 651 S CB -0.279 62.978 63.200 0.095 0.000 0.853 651 S HN 0.439 nan 8.310 nan 0.000 0.458 652 S N 1.194 116.904 115.700 0.017 0.000 2.368 652 S HA -0.027 4.443 4.470 -0.000 0.000 0.224 652 S C 1.920 176.468 174.600 -0.087 0.000 1.029 652 S CA 1.085 59.260 58.200 -0.041 0.000 0.988 652 S CB -0.422 62.725 63.200 -0.087 0.000 0.838 652 S HN 0.554 nan 8.310 nan 0.000 0.462 653 R N 1.302 121.759 120.500 -0.072 0.000 2.091 653 R HA -0.165 4.174 4.340 -0.000 0.000 0.238 653 R C 2.517 178.750 176.300 -0.112 0.000 1.136 653 R CA 1.721 57.771 56.100 -0.083 0.000 0.959 653 R CB -0.306 29.965 30.300 -0.049 0.000 0.856 653 R HN 0.492 nan 8.270 nan 0.000 0.437 654 Q N -0.748 118.964 119.800 -0.147 0.000 2.061 654 Q HA -0.219 4.120 4.340 -0.000 0.000 0.204 654 Q C 1.472 177.265 176.000 -0.346 0.000 0.984 654 Q CA 1.993 57.630 55.803 -0.277 0.000 0.846 654 Q CB -0.130 28.360 28.738 -0.413 0.000 0.902 654 Q HN 0.542 nan 8.270 nan 0.000 0.421 655 Y N -0.348 119.913 120.300 -0.065 0.000 2.420 655 Y HA 0.006 4.556 4.550 -0.000 0.000 0.292 655 Y C 1.913 177.680 175.900 -0.223 0.000 1.119 655 Y CA 0.257 58.299 58.100 -0.096 0.000 1.229 655 Y CB 0.314 38.742 38.460 -0.053 0.000 1.026 655 Y HN 0.099 nan 8.280 nan 0.000 0.554 656 L N -0.851 120.312 121.223 -0.100 0.000 2.141 656 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 656 L C 2.143 178.999 176.870 -0.024 0.000 1.094 656 L CA 1.355 56.120 54.840 -0.125 0.000 0.763 656 L CB -0.578 41.329 42.059 -0.253 0.000 0.908 656 L HN 0.188 nan 8.230 nan 0.000 0.437 657 T N -0.110 114.409 114.554 -0.059 0.000 2.857 657 T HA -0.080 4.269 4.350 -0.000 0.000 0.266 657 T C 1.931 176.697 174.700 0.109 0.000 1.048 657 T CA 1.018 63.121 62.100 0.004 0.000 1.139 657 T CB -0.068 68.780 68.868 -0.032 0.000 0.874 657 T HN 0.175 nan 8.240 nan 0.000 0.455 658 I N 0.908 121.517 120.570 0.065 0.000 2.226 658 I HA -0.186 3.983 4.170 -0.000 0.000 0.245 658 I C 2.843 179.049 176.117 0.148 0.000 1.100 658 I CA 1.224 62.591 61.300 0.113 0.000 1.374 658 I CB -0.331 37.719 38.000 0.084 0.000 1.057 658 I HN 0.163 nan 8.210 nan 0.000 0.413 659 R N 0.394 120.928 120.500 0.055 0.000 2.094 659 R HA -0.255 4.085 4.340 -0.000 0.000 0.239 659 R C 2.470 178.979 176.300 0.348 0.000 1.137 659 R CA 2.099 58.275 56.100 0.126 0.000 0.943 659 R CB -0.523 29.795 30.300 0.030 0.000 0.850 659 R HN 0.199 nan 8.270 nan 0.000 0.433 660 Y N 1.141 121.530 120.300 0.149 0.000 2.181 660 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 660 Y C 2.652 178.700 175.900 0.246 0.000 1.146 660 Y CA 1.942 60.160 58.100 0.197 0.000 1.164 660 Y CB -0.728 37.829 38.460 0.161 0.000 0.982 660 Y HN 0.170 nan 8.280 nan 0.000 0.515 661 T N 0.260 115.037 114.554 0.372 0.000 2.721 661 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 661 T C 1.782 176.702 174.700 0.367 0.000 1.038 661 T CA 1.584 63.877 62.100 0.321 0.000 1.145 661 T CB -0.523 68.522 68.868 0.296 0.000 0.858 661 T HN 0.252 nan 8.240 nan 0.000 0.459 662 L N 0.255 121.736 121.223 0.428 0.000 2.592 662 L HA 0.267 4.607 4.340 -0.000 0.000 0.227 662 L C 1.945 179.175 176.870 0.601 0.000 1.127 662 L CA -0.040 55.140 54.840 0.567 0.000 0.884 662 L CB -0.279 42.186 42.059 0.677 0.000 1.065 662 L HN 0.239 nan 8.230 nan 0.000 0.457 663 L N 0.296 121.780 121.223 0.435 0.000 2.131 663 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 663 L C -0.237 176.911 176.870 0.463 0.000 1.092 663 L CA 1.324 56.337 54.840 0.288 0.000 0.759 663 L CB -1.647 40.423 42.059 0.017 0.000 0.903 663 L HN 0.263 nan 8.230 nan 0.000 0.435 664 P HA -0.232 nan 4.420 nan 0.000 0.215 664 P C 1.568 179.384 177.300 0.859 0.000 1.153 664 P CA 1.379 65.026 63.100 0.911 0.000 0.853 664 P CB -0.077 32.079 31.700 0.761 0.000 0.788 665 F N 0.293 120.581 119.950 0.564 0.000 2.134 665 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 665 F C 1.949 178.000 175.800 0.418 0.000 1.097 665 F CA 1.092 59.397 58.000 0.508 0.000 1.264 665 F CB -1.197 38.087 39.000 0.473 0.000 1.001 665 F HN -0.241 nan 8.300 nan 0.000 0.479 666 L N -0.287 121.006 121.223 0.117 0.000 1.994 666 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 666 L C 2.270 179.198 176.870 0.096 0.000 1.071 666 L CA 2.003 56.718 54.840 -0.208 0.000 0.745 666 L CB -1.548 40.357 42.059 -0.257 0.000 0.892 666 L HN 0.311 nan 8.230 nan 0.000 0.431 667 Y N 0.105 120.498 120.300 0.155 0.000 2.207 667 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 667 Y C 2.467 178.565 175.900 0.329 0.000 1.156 667 Y CA 2.227 60.476 58.100 0.249 0.000 1.182 667 Y CB -0.677 37.969 38.460 0.310 0.000 0.979 667 Y HN 0.243 nan 8.280 nan 0.000 0.521 668 T N 0.768 115.591 114.554 0.450 0.000 2.833 668 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 668 T C 2.014 176.848 174.700 0.222 0.000 1.054 668 T CA 1.569 63.906 62.100 0.395 0.000 1.135 668 T CB -0.406 68.811 68.868 0.581 0.000 0.869 668 T HN 0.298 nan 8.240 nan 0.000 0.466 669 L N -0.588 120.645 121.223 0.017 0.000 2.109 669 L HA 0.042 4.381 4.340 -0.000 0.000 0.207 669 L C 2.150 178.891 176.870 -0.215 0.000 1.086 669 L CA 1.125 55.871 54.840 -0.157 0.000 0.760 669 L CB -0.511 41.297 42.059 -0.419 0.000 0.910 669 L HN 0.198 nan 8.230 nan 0.000 0.437 670 F N -1.047 118.792 119.950 -0.186 0.000 2.259 670 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 670 F C 2.509 178.141 175.800 -0.280 0.000 1.088 670 F CA 1.247 59.108 58.000 -0.231 0.000 1.358 670 F CB -0.538 38.301 39.000 -0.268 0.000 1.040 670 F HN 0.033 nan 8.300 nan 0.000 0.505 671 Y N 1.257 121.374 120.300 -0.306 0.000 2.145 671 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 671 Y C 2.183 177.881 175.900 -0.337 0.000 1.145 671 Y CA 1.691 59.467 58.100 -0.540 0.000 1.148 671 Y CB -0.484 37.436 38.460 -0.899 0.000 0.981 671 Y HN -0.146 nan 8.280 nan 0.000 0.507 672 K N 0.324 120.532 120.400 -0.319 0.000 2.147 672 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 672 K C 2.334 178.808 176.600 -0.210 0.000 1.049 672 K CA 0.991 57.136 56.287 -0.237 0.000 0.936 672 K CB -0.397 32.146 32.500 0.071 0.000 0.722 672 K HN 0.475 nan 8.250 nan 0.000 0.446 673 A N 1.070 123.772 122.820 -0.197 0.000 1.855 673 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 673 A C 2.025 179.501 177.584 -0.180 0.000 1.191 673 A CA 1.843 53.782 52.037 -0.163 0.000 0.613 673 A CB -0.811 18.079 19.000 -0.182 0.000 0.829 673 A HN 0.386 nan 8.150 nan 0.000 0.442 674 H N -0.498 118.392 119.070 -0.299 0.000 2.353 674 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 674 H C 1.712 176.792 175.328 -0.414 0.000 1.090 674 H CA 2.121 57.978 56.048 -0.319 0.000 1.327 674 H CB -0.077 29.496 29.762 -0.315 0.000 1.383 674 H HN 0.142 nan 8.280 nan 0.000 0.508 675 V N -0.880 118.601 119.914 -0.721 0.000 2.426 675 V HA -0.058 4.062 4.120 -0.000 0.000 0.242 675 V C 1.664 177.245 176.094 -0.855 0.000 1.036 675 V CA 1.685 63.393 62.300 -0.987 0.000 1.044 675 V CB -0.386 30.562 31.823 -1.459 0.000 0.688 675 V HN 0.368 nan 8.190 nan 0.000 0.462 676 F N -0.245 119.508 119.950 -0.328 0.000 2.694 676 F HA 0.489 5.015 4.527 -0.000 0.000 0.292 676 F C 1.847 177.541 175.800 -0.176 0.000 1.121 676 F CA 0.670 58.537 58.000 -0.220 0.000 1.352 676 F CB 0.560 39.451 39.000 -0.182 0.000 1.107 676 F HN 0.256 nan 8.300 nan 0.000 0.597 677 G N 1.063 109.834 108.800 -0.048 0.000 2.141 677 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.231 677 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.231 677 G C -0.154 174.739 174.900 -0.011 0.000 0.984 677 G CA -0.411 44.654 45.100 -0.059 0.000 0.660 677 G HN 0.358 nan 8.290 nan 0.000 0.525 678 E N 1.760 121.967 120.200 0.012 0.000 2.360 678 E HA 0.412 4.762 4.350 -0.000 0.000 0.269 678 E C 1.144 177.722 176.600 -0.037 0.000 1.022 678 E CA 0.338 56.749 56.400 0.019 0.000 0.887 678 E CB 0.639 30.365 29.700 0.044 0.000 0.990 678 E HN 0.451 nan 8.360 nan 0.000 0.426 679 T N -0.890 113.655 114.554 -0.015 0.000 2.860 679 T HA 0.118 4.467 4.350 -0.000 0.000 0.299 679 T C 0.999 175.604 174.700 -0.159 0.000 1.045 679 T CA -0.877 61.175 62.100 -0.079 0.000 1.071 679 T CB 1.038 69.870 68.868 -0.060 0.000 0.985 679 T HN 0.183 nan 8.240 nan 0.000 0.537 680 V N 1.145 120.899 119.914 -0.266 0.000 2.543 680 V HA 0.351 4.470 4.120 -0.000 0.000 0.232 680 V C 1.806 177.786 176.094 -0.190 0.000 1.087 680 V CA 0.701 62.761 62.300 -0.400 0.000 1.113 680 V CB -1.061 30.278 31.823 -0.807 0.000 0.779 680 V HN 1.139 nan 8.190 nan 0.000 0.495 681 A N 2.881 125.636 122.820 -0.110 0.000 2.457 681 A HA 0.441 4.761 4.320 -0.000 0.000 0.298 681 A C 0.441 178.033 177.584 0.014 0.000 1.288 681 A CA -0.043 52.058 52.037 0.106 0.000 0.956 681 A CB -0.609 18.422 19.000 0.052 0.000 1.135 681 A HN 0.620 nan 8.150 nan 0.000 0.535 682 R N 2.573 123.122 120.500 0.082 0.000 2.637 682 R HA 0.695 5.034 4.340 -0.000 0.000 0.291 682 R C -3.244 173.031 176.300 -0.041 0.000 0.963 682 R CA -2.015 54.035 56.100 -0.083 0.000 0.901 682 R CB 1.244 31.506 30.300 -0.063 0.000 1.160 682 R HN 0.258 nan 8.270 nan 0.000 0.457 683 P HA -0.034 nan 4.420 nan 0.000 0.269 683 P C 0.878 178.264 177.300 0.143 0.000 1.209 683 P CA -0.427 62.610 63.100 -0.105 0.000 0.776 683 P CB 0.782 32.359 31.700 -0.205 0.000 0.876 684 V N 2.683 122.742 119.914 0.243 0.000 2.453 684 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 684 V C 2.166 178.553 176.094 0.490 0.000 1.068 684 V CA 2.365 64.914 62.300 0.415 0.000 1.070 684 V CB -1.415 30.623 31.823 0.359 0.000 0.664 684 V HN 0.590 nan 8.190 nan 0.000 0.461 685 L N -1.586 119.876 121.223 0.398 0.000 2.201 685 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 685 L C 2.267 179.393 176.870 0.427 0.000 1.105 685 L CA 1.899 56.989 54.840 0.416 0.000 0.775 685 L CB -1.270 40.959 42.059 0.284 0.000 0.913 685 L HN 0.360 nan 8.230 nan 0.000 0.440 686 H N -0.300 118.884 119.070 0.190 0.000 2.457 686 H HA -0.010 4.546 4.556 -0.000 0.000 0.294 686 H C 1.303 176.767 175.328 0.227 0.000 1.064 686 H CA 1.240 57.396 56.048 0.180 0.000 1.330 686 H CB 0.463 30.285 29.762 0.100 0.000 1.395 686 H HN 0.521 nan 8.280 nan 0.000 0.541 687 E N -0.137 120.172 120.200 0.183 0.000 2.413 687 E HA 0.033 4.382 4.350 -0.000 0.000 0.203 687 E C 0.019 176.178 176.600 -0.735 0.000 0.957 687 E CA 0.239 56.469 56.400 -0.283 0.000 0.950 687 E CB 0.517 29.937 29.700 -0.466 0.000 0.957 687 E HN 0.332 nan 8.360 nan 0.000 0.497 688 F N 0.387 120.406 119.950 0.114 0.000 2.835 688 F HA 0.121 4.647 4.527 -0.000 0.000 0.342 688 F C 0.900 176.762 175.800 0.103 0.000 1.202 688 F CA -0.835 57.195 58.000 0.050 0.000 1.240 688 F CB -0.347 38.773 39.000 0.201 0.000 1.005 688 F HN -0.040 nan 8.300 nan 0.000 0.507 689 Y N -0.737 119.773 120.300 0.350 0.000 2.483 689 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 689 Y C 1.397 177.609 175.900 0.520 0.000 1.143 689 Y CA 0.752 59.120 58.100 0.448 0.000 1.289 689 Y CB -1.129 37.446 38.460 0.190 0.000 0.983 689 Y HN 0.117 nan 8.280 nan 0.000 0.556 690 E N 0.477 120.781 120.200 0.175 0.000 2.268 690 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 690 E C 0.003 176.686 176.600 0.137 0.000 0.995 690 E CA 1.240 57.757 56.400 0.194 0.000 0.836 690 E CB -0.088 29.637 29.700 0.042 0.000 0.763 690 E HN 0.480 nan 8.360 nan 0.000 0.491 691 D N -0.375 120.105 120.400 0.133 0.000 2.381 691 D HA 0.045 4.685 4.640 -0.000 0.000 0.235 691 D C 0.781 176.922 176.300 -0.266 0.000 1.068 691 D CA -0.309 53.687 54.000 -0.007 0.000 0.832 691 D CB 1.180 42.055 40.800 0.125 0.000 1.101 691 D HN -0.029 nan 8.370 nan 0.000 0.515 692 T N 1.381 115.547 114.554 -0.647 0.000 2.977 692 T HA -0.135 4.214 4.350 -0.000 0.000 0.271 692 T C 1.351 175.634 174.700 -0.695 0.000 1.105 692 T CA 0.557 61.869 62.100 -1.314 0.000 1.116 692 T CB -0.143 68.015 68.868 -1.184 0.000 0.878 692 T HN 0.264 nan 8.240 nan 0.000 0.509 693 N N 2.277 120.715 118.700 -0.436 0.000 2.205 693 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 693 N C 2.177 177.450 175.510 -0.395 0.000 1.015 693 N CA 1.681 54.439 53.050 -0.487 0.000 0.862 693 N CB -0.511 37.463 38.487 -0.855 0.000 0.986 693 N HN 0.767 nan 8.380 nan 0.000 0.429 694 S N -0.727 114.889 115.700 -0.140 0.000 2.474 694 S HA -0.068 4.401 4.470 -0.000 0.000 0.235 694 S C 1.515 176.349 174.600 0.391 0.000 0.997 694 S CA 0.227 58.533 58.200 0.176 0.000 0.949 694 S CB -0.437 63.002 63.200 0.399 0.000 0.766 694 S HN 0.304 nan 8.310 nan 0.000 0.517 695 W N 2.580 123.914 121.300 0.056 0.000 2.425 695 W HA 0.250 4.909 4.660 -0.000 0.000 0.277 695 W C 1.994 178.709 176.519 0.326 0.000 1.231 695 W CA -0.096 57.337 57.345 0.148 0.000 1.248 695 W CB -0.684 28.711 29.460 -0.109 0.000 1.117 695 W HN 0.572 nan 8.180 nan 0.000 0.568 696 I N -2.022 118.808 120.570 0.434 0.000 4.018 696 I HA 0.240 4.409 4.170 -0.000 0.000 0.337 696 I C 0.462 176.748 176.117 0.282 0.000 1.327 696 I CA -0.167 61.352 61.300 0.364 0.000 1.100 696 I CB -0.205 37.953 38.000 0.264 0.000 1.025 696 I HN -0.376 nan 8.210 nan 0.000 0.396 697 E N 3.460 123.811 120.200 0.251 0.000 2.324 697 E HA 0.062 4.412 4.350 -0.000 0.000 0.271 697 E C -0.223 176.513 176.600 0.227 0.000 1.028 697 E CA 0.374 56.890 56.400 0.193 0.000 0.890 697 E CB 0.540 30.338 29.700 0.163 0.000 1.004 697 E HN 0.606 nan 8.360 nan 0.000 0.431 698 D N 0.756 121.268 120.400 0.187 0.000 2.619 698 D HA -0.058 4.581 4.640 -0.000 0.000 0.300 698 D C 0.306 176.701 176.300 0.159 0.000 1.502 698 D CA 0.349 54.450 54.000 0.169 0.000 0.865 698 D CB -0.707 40.234 40.800 0.234 0.000 1.343 698 D HN 0.339 nan 8.370 nan 0.000 0.447 699 T N -2.489 112.149 114.554 0.141 0.000 3.145 699 T HA 0.364 4.713 4.350 -0.000 0.000 0.255 699 T C 0.353 175.119 174.700 0.110 0.000 1.039 699 T CA -0.179 61.995 62.100 0.123 0.000 0.928 699 T CB 0.623 69.541 68.868 0.084 0.000 1.029 699 T HN 0.078 nan 8.240 nan 0.000 0.554 700 E N 0.403 120.684 120.200 0.135 0.000 2.390 700 E HA 0.624 4.974 4.350 -0.000 0.000 0.277 700 E C -1.678 175.041 176.600 0.198 0.000 0.939 700 E CA -1.152 55.284 56.400 0.060 0.000 0.769 700 E CB 2.498 32.180 29.700 -0.030 0.000 1.251 700 E HN 0.383 nan 8.360 nan 0.000 0.450 701 F N -0.485 119.469 119.950 0.005 0.000 2.713 701 F HA 0.616 5.143 4.527 -0.000 0.000 0.311 701 F C -2.105 173.749 175.800 0.089 0.000 1.141 701 F CA -1.141 56.886 58.000 0.044 0.000 0.939 701 F CB 0.778 39.808 39.000 0.049 0.000 1.325 701 F HN 0.247 nan 8.300 nan 0.000 0.453 702 L N 1.296 122.709 121.223 0.317 0.000 2.334 702 L HA 0.424 4.764 4.340 -0.000 0.000 0.272 702 L C -1.277 175.921 176.870 0.547 0.000 1.020 702 L CA -0.616 54.402 54.840 0.297 0.000 0.812 702 L CB 1.374 43.623 42.059 0.317 0.000 1.264 702 L HN 0.590 nan 8.230 nan 0.000 0.439 703 W N 2.786 124.233 121.300 0.244 0.000 2.357 703 W HA 0.512 5.172 4.660 -0.000 0.000 0.317 703 W C 0.894 177.563 176.519 0.249 0.000 1.101 703 W CA -0.051 57.449 57.345 0.259 0.000 1.380 703 W CB 0.172 29.846 29.460 0.357 0.000 1.266 703 W HN 0.785 nan 8.180 nan 0.000 0.419 704 G N 5.645 114.595 108.800 0.251 0.000 2.596 704 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.295 704 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.295 704 G C -1.478 173.552 174.900 0.217 0.000 1.240 704 G CA 0.400 45.609 45.100 0.181 0.000 0.985 704 G HN 0.336 nan 8.290 nan 0.000 0.555 705 P HA 0.344 nan 4.420 nan 0.000 0.257 705 P C 1.074 178.259 177.300 -0.192 0.000 1.241 705 P CA 2.012 65.060 63.100 -0.086 0.000 0.816 705 P CB 0.497 32.023 31.700 -0.289 0.000 1.150 706 A N -0.818 122.039 122.820 0.062 0.000 2.108 706 A HA 0.291 4.611 4.320 -0.000 0.000 0.206 706 A C 0.670 178.404 177.584 0.250 0.000 1.212 706 A CA 0.319 52.362 52.037 0.010 0.000 0.843 706 A CB -0.249 18.715 19.000 -0.061 0.000 0.902 706 A HN 0.191 nan 8.150 nan 0.000 0.477 707 L N 0.606 122.054 121.223 0.375 0.000 2.319 707 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 707 L C -1.091 175.879 176.870 0.168 0.000 1.005 707 L CA -0.786 54.227 54.840 0.287 0.000 0.828 707 L CB 1.631 43.866 42.059 0.294 0.000 1.227 707 L HN 0.196 nan 8.230 nan 0.000 0.415 708 L N 6.564 127.845 121.223 0.095 0.000 2.264 708 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 708 L C -0.892 175.761 176.870 -0.362 0.000 1.044 708 L CA 0.204 54.953 54.840 -0.153 0.000 0.807 708 L CB 0.835 42.659 42.059 -0.392 0.000 1.192 708 L HN 0.546 nan 8.230 nan 0.000 0.425 709 I N 4.624 124.830 120.570 -0.608 0.000 2.330 709 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 709 I C -0.182 175.568 176.117 -0.611 0.000 1.001 709 I CA 0.040 60.846 61.300 -0.824 0.000 1.193 709 I CB 1.514 38.718 38.000 -1.326 0.000 1.345 709 I HN 0.548 nan 8.210 nan 0.000 0.461 710 T N 7.442 121.753 114.554 -0.405 0.000 3.060 710 T HA 0.351 4.701 4.350 -0.000 0.000 0.367 710 T C -2.473 172.108 174.700 -0.199 0.000 1.229 710 T CA -1.262 60.688 62.100 -0.249 0.000 1.104 710 T CB 0.704 69.458 68.868 -0.189 0.000 1.083 710 T HN 0.302 nan 8.240 nan 0.000 0.524 711 P HA 0.351 nan 4.420 nan 0.000 0.276 711 P C -0.539 176.723 177.300 -0.065 0.000 1.252 711 P CA -0.490 62.545 63.100 -0.109 0.000 0.802 711 P CB 0.997 32.668 31.700 -0.049 0.000 1.035 712 V N 2.815 122.703 119.914 -0.042 0.000 2.406 712 V HA 0.144 4.264 4.120 -0.000 0.000 0.272 712 V C 1.348 177.504 176.094 0.102 0.000 1.043 712 V CA 0.082 62.392 62.300 0.018 0.000 0.915 712 V CB 0.502 32.345 31.823 0.034 0.000 0.988 712 V HN 0.449 nan 8.190 nan 0.000 0.466 713 L N 3.521 124.807 121.223 0.105 0.000 2.920 713 L HA 0.360 4.700 4.340 -0.000 0.000 0.257 713 L C 0.491 177.497 176.870 0.225 0.000 1.150 713 L CA 0.065 55.000 54.840 0.159 0.000 0.959 713 L CB 0.268 42.357 42.059 0.049 0.000 1.321 713 L HN 0.449 nan 8.230 nan 0.000 0.555 714 K N 1.410 121.816 120.400 0.011 0.000 2.221 714 K HA 0.311 4.630 4.320 -0.000 0.000 0.258 714 K C -0.514 175.629 176.600 -0.762 0.000 0.944 714 K CA -0.420 55.706 56.287 -0.268 0.000 0.823 714 K CB 2.240 34.636 32.500 -0.174 0.000 1.113 714 K HN -0.065 nan 8.250 nan 0.000 0.431 715 Q N 0.135 119.188 119.800 -1.244 0.000 2.330 715 Q HA 0.066 4.406 4.340 -0.000 0.000 0.279 715 Q C 0.578 176.178 176.000 -0.667 0.000 1.024 715 Q CA 1.380 56.264 55.803 -1.532 0.000 0.900 715 Q CB 0.336 28.293 28.738 -1.302 0.000 1.221 715 Q HN 0.883 nan 8.270 nan 0.000 0.396 716 G N 2.245 110.769 108.800 -0.459 0.000 2.187 716 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 716 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 716 G C 0.077 174.884 174.900 -0.154 0.000 1.000 716 G CA 0.346 45.323 45.100 -0.205 0.000 0.718 716 G HN 0.846 nan 8.290 nan 0.000 0.519 717 A N -0.765 121.944 122.820 -0.185 0.000 2.331 717 A HA 0.676 4.996 4.320 -0.000 0.000 0.283 717 A C 0.776 178.333 177.584 -0.045 0.000 1.142 717 A CA 0.725 52.696 52.037 -0.109 0.000 0.812 717 A CB 0.800 19.725 19.000 -0.126 0.000 1.074 717 A HN 0.410 nan 8.150 nan 0.000 0.497 718 D N 0.179 120.574 120.400 -0.009 0.000 2.455 718 D HA 0.136 4.775 4.640 -0.000 0.000 0.228 718 D C 0.331 176.673 176.300 0.069 0.000 1.070 718 D CA 1.101 55.127 54.000 0.043 0.000 0.881 718 D CB 0.619 41.482 40.800 0.105 0.000 1.087 718 D HN 0.535 nan 8.370 nan 0.000 0.498 719 T N -0.542 114.044 114.554 0.054 0.000 2.901 719 T HA 0.648 4.998 4.350 -0.000 0.000 0.293 719 T C -1.095 173.601 174.700 -0.006 0.000 1.084 719 T CA -0.731 61.407 62.100 0.063 0.000 1.008 719 T CB 2.475 71.389 68.868 0.078 0.000 1.170 719 T HN -0.252 nan 8.240 nan 0.000 0.509 720 V N 1.391 121.288 119.914 -0.028 0.000 2.612 720 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 720 V C -0.031 176.006 176.094 -0.094 0.000 1.059 720 V CA -0.861 61.403 62.300 -0.059 0.000 0.886 720 V CB 1.992 33.776 31.823 -0.066 0.000 1.007 720 V HN 1.000 nan 8.190 nan 0.000 0.426 721 S N 3.919 119.570 115.700 -0.081 0.000 2.481 721 S HA 0.630 5.099 4.470 -0.000 0.000 0.282 721 S C 0.091 174.627 174.600 -0.107 0.000 1.243 721 S CA 0.266 58.407 58.200 -0.099 0.000 1.078 721 S CB 0.085 63.249 63.200 -0.060 0.000 0.916 721 S HN 1.195 nan 8.310 nan 0.000 0.495 722 A N 5.080 127.796 122.820 -0.173 0.000 2.393 722 A HA 0.568 4.888 4.320 -0.000 0.000 0.306 722 A C -1.370 176.103 177.584 -0.184 0.000 1.050 722 A CA -0.628 51.301 52.037 -0.180 0.000 0.724 722 A CB 0.835 19.674 19.000 -0.267 0.000 1.248 722 A HN 0.850 nan 8.150 nan 0.000 0.424 723 Y N 2.585 122.756 120.300 -0.216 0.000 2.365 723 Y HA 0.502 5.052 4.550 -0.000 0.000 0.340 723 Y C -0.034 175.684 175.900 -0.304 0.000 1.016 723 Y CA -0.687 57.285 58.100 -0.213 0.000 1.196 723 Y CB 0.808 39.192 38.460 -0.126 0.000 1.167 723 Y HN 0.660 nan 8.280 nan 0.000 0.509 724 I N 7.976 127.966 120.570 -0.967 0.000 2.355 724 I HA 0.617 4.787 4.170 -0.000 0.000 0.288 724 I C -2.971 172.624 176.117 -0.869 0.000 0.999 724 I CA -2.758 58.024 61.300 -0.862 0.000 1.163 724 I CB 1.550 39.136 38.000 -0.689 0.000 1.316 724 I HN 0.346 nan 8.210 nan 0.000 0.454 725 P HA 0.078 nan 4.420 nan 0.000 0.274 725 P C -0.818 176.395 177.300 -0.145 0.000 1.260 725 P CA -0.139 62.662 63.100 -0.498 0.000 0.793 725 P CB 0.402 31.316 31.700 -1.311 0.000 1.048 726 D N -0.231 120.100 120.400 -0.115 0.000 2.545 726 D HA 0.399 5.039 4.640 -0.000 0.000 0.227 726 D C -0.729 175.642 176.300 0.118 0.000 1.150 726 D CA 0.370 54.413 54.000 0.070 0.000 1.046 726 D CB -1.219 39.668 40.800 0.145 0.000 1.098 726 D HN 0.361 nan 8.370 nan 0.000 0.502 727 A N 2.398 125.205 122.820 -0.022 0.000 2.599 727 A HA 0.497 4.817 4.320 -0.000 0.000 0.290 727 A C -0.683 176.597 177.584 -0.506 0.000 1.101 727 A CA -0.782 51.088 52.037 -0.278 0.000 0.674 727 A CB 0.702 19.416 19.000 -0.477 0.000 1.277 727 A HN 0.293 nan 8.150 nan 0.000 0.419 728 I N 0.666 120.962 120.570 -0.457 0.000 2.496 728 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 728 I C -0.895 174.809 176.117 -0.689 0.000 1.080 728 I CA 0.596 61.630 61.300 -0.445 0.000 1.404 728 I CB 0.499 38.315 38.000 -0.307 0.000 1.403 728 I HN 0.604 nan 8.210 nan 0.000 0.539 729 W N 5.989 127.121 121.300 -0.281 0.000 2.656 729 W HA 0.457 5.117 4.660 -0.000 0.000 0.327 729 W C -1.012 175.332 176.519 -0.292 0.000 1.041 729 W CA -0.533 56.711 57.345 -0.168 0.000 1.229 729 W CB 1.107 30.512 29.460 -0.092 0.000 1.397 729 W HN 0.222 nan 8.180 nan 0.000 0.479 730 Y N 1.740 122.248 120.300 0.347 0.000 2.328 730 Y HA 0.174 4.724 4.550 -0.000 0.000 0.336 730 Y C 0.271 176.283 175.900 0.186 0.000 0.960 730 Y CA -1.165 57.046 58.100 0.185 0.000 1.134 730 Y CB 1.151 39.659 38.460 0.079 0.000 1.166 730 Y HN 0.341 nan 8.280 nan 0.000 0.464 731 D N 1.751 122.276 120.400 0.209 0.000 2.493 731 D HA -0.129 4.511 4.640 -0.000 0.000 0.240 731 D C 0.744 177.056 176.300 0.021 0.000 1.142 731 D CA 0.483 54.459 54.000 -0.041 0.000 0.872 731 D CB 0.563 41.328 40.800 -0.058 0.000 1.173 731 D HN 0.577 nan 8.370 nan 0.000 0.467 732 Y N 3.433 123.653 120.300 -0.132 0.000 2.089 732 Y HA -0.184 4.366 4.550 -0.000 0.000 0.282 732 Y C 1.777 177.652 175.900 -0.041 0.000 1.139 732 Y CA 1.919 59.985 58.100 -0.057 0.000 1.123 732 Y CB 0.028 38.450 38.460 -0.063 0.000 0.980 732 Y HN 0.597 nan 8.280 nan 0.000 0.493 733 E N -0.341 119.920 120.200 0.101 0.000 2.031 733 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 733 E C 2.369 178.922 176.600 -0.079 0.000 0.994 733 E CA 2.029 58.442 56.400 0.022 0.000 0.800 733 E CB -0.326 29.421 29.700 0.077 0.000 0.752 733 E HN 0.554 nan 8.360 nan 0.000 0.447 734 S N -1.051 114.616 115.700 -0.055 0.000 2.446 734 S HA 0.094 4.564 4.470 -0.000 0.000 0.225 734 S C 1.863 176.414 174.600 -0.083 0.000 1.016 734 S CA 0.604 58.766 58.200 -0.063 0.000 0.943 734 S CB 0.259 63.435 63.200 -0.040 0.000 0.786 734 S HN 0.452 nan 8.310 nan 0.000 0.508 735 G N 1.108 109.861 108.800 -0.079 0.000 2.179 735 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.260 735 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.260 735 G C 0.265 175.192 174.900 0.046 0.000 0.977 735 G CA 0.088 45.143 45.100 -0.076 0.000 0.641 735 G HN 1.349 nan 8.290 nan 0.000 0.533 736 A N 0.251 123.100 122.820 0.047 0.000 2.440 736 A HA 0.594 4.914 4.320 -0.000 0.000 0.251 736 A C 0.679 178.340 177.584 0.127 0.000 1.089 736 A CA 0.670 52.746 52.037 0.065 0.000 0.779 736 A CB 0.369 19.358 19.000 -0.019 0.000 1.022 736 A HN 0.637 nan 8.150 nan 0.000 0.492 737 K N 1.933 122.401 120.400 0.113 0.000 2.412 737 K HA 0.087 4.407 4.320 -0.000 0.000 0.281 737 K C -0.114 176.366 176.600 -0.199 0.000 1.027 737 K CA -0.187 56.019 56.287 -0.134 0.000 0.989 737 K CB 0.352 32.773 32.500 -0.131 0.000 0.935 737 K HN 0.693 nan 8.250 nan 0.000 0.475 738 R N 4.116 124.450 120.500 -0.276 0.000 2.490 738 R HA 0.116 4.456 4.340 -0.000 0.000 0.278 738 R C -1.656 174.433 176.300 -0.352 0.000 1.069 738 R CA -1.801 54.029 56.100 -0.450 0.000 1.080 738 R CB 0.624 30.586 30.300 -0.564 0.000 1.030 738 R HN 0.603 nan 8.270 nan 0.000 0.491 739 P HA -0.021 nan 4.420 nan 0.000 0.245 739 P C -0.331 176.978 177.300 0.015 0.000 1.212 739 P CA 0.450 63.450 63.100 -0.166 0.000 0.774 739 P CB 0.281 31.910 31.700 -0.118 0.000 0.999 740 W N 1.783 123.056 121.300 -0.044 0.000 2.272 740 W HA 0.503 5.163 4.660 -0.000 0.000 0.318 740 W C 0.756 177.262 176.519 -0.022 0.000 1.255 740 W CA -0.519 56.784 57.345 -0.071 0.000 1.200 740 W CB 0.227 29.600 29.460 -0.146 0.000 1.170 740 W HN -0.078 nan 8.180 nan 0.000 0.549 741 R N 2.643 123.244 120.500 0.169 0.000 2.572 741 R HA 0.109 4.449 4.340 -0.000 0.000 0.273 741 R C -0.249 176.048 176.300 -0.006 0.000 1.168 741 R CA -0.837 55.325 56.100 0.104 0.000 1.021 741 R CB 0.840 31.182 30.300 0.070 0.000 1.249 741 R HN 0.566 nan 8.270 nan 0.000 0.423 742 K N 3.226 123.571 120.400 -0.091 0.000 3.653 742 K HA -0.249 4.071 4.320 -0.000 0.000 0.275 742 K C -1.538 174.963 176.600 -0.165 0.000 0.962 742 K CA 1.818 58.016 56.287 -0.148 0.000 0.773 742 K CB -0.700 31.800 32.500 -0.000 0.000 1.463 742 K HN 0.778 nan 8.250 nan 0.000 0.450 743 Q N -0.405 119.165 119.800 -0.383 0.000 2.633 743 Q HA 0.357 4.697 4.340 -0.000 0.000 0.289 743 Q C -1.260 174.525 176.000 -0.360 0.000 0.940 743 Q CA -1.375 54.289 55.803 -0.231 0.000 0.785 743 Q CB 0.969 29.624 28.738 -0.137 0.000 1.467 743 Q HN 0.273 nan 8.270 nan 0.000 0.401 744 R N 0.974 121.390 120.500 -0.141 0.000 2.349 744 R HA 0.655 4.995 4.340 -0.000 0.000 0.299 744 R C -0.630 175.504 176.300 -0.276 0.000 1.027 744 R CA -0.305 55.705 56.100 -0.149 0.000 0.958 744 R CB 1.391 31.691 30.300 0.000 0.000 1.047 744 R HN 0.605 nan 8.270 nan 0.000 0.468 745 V N -0.259 119.410 119.914 -0.409 0.000 3.102 745 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 745 V C -1.050 174.812 176.094 -0.388 0.000 1.135 745 V CA -1.121 60.863 62.300 -0.526 0.000 1.022 745 V CB 2.226 33.369 31.823 -1.134 0.000 1.056 745 V HN 0.653 nan 8.190 nan 0.000 0.436 746 D N 3.212 123.437 120.400 -0.292 0.000 2.456 746 D HA 0.343 4.983 4.640 -0.000 0.000 0.219 746 D C -0.230 175.975 176.300 -0.158 0.000 1.126 746 D CA 0.223 54.119 54.000 -0.174 0.000 0.890 746 D CB 1.201 41.951 40.800 -0.084 0.000 1.025 746 D HN 0.727 nan 8.370 nan 0.000 0.511 747 M N 3.461 122.948 119.600 -0.189 0.000 2.146 747 M HA 0.081 4.561 4.480 -0.000 0.000 0.352 747 M C -0.826 175.538 176.300 0.106 0.000 1.343 747 M CA -0.656 54.590 55.300 -0.090 0.000 1.115 747 M CB 0.502 33.007 32.600 -0.159 0.000 1.657 747 M HN 0.253 nan 8.290 nan 0.000 0.471 748 Y N 6.880 127.230 120.300 0.082 0.000 2.531 748 Y HA 0.342 4.892 4.550 -0.000 0.000 0.347 748 Y C -1.383 174.561 175.900 0.072 0.000 1.024 748 Y CA -0.152 57.990 58.100 0.069 0.000 1.306 748 Y CB 0.060 38.572 38.460 0.087 0.000 1.149 748 Y HN 0.594 nan 8.280 nan 0.000 0.527 749 L N 10.085 131.117 121.223 -0.318 0.000 2.490 749 L HA 0.373 4.713 4.340 -0.000 0.000 0.256 749 L C -2.427 174.234 176.870 -0.348 0.000 1.089 749 L CA -1.913 52.746 54.840 -0.301 0.000 0.916 749 L CB 1.370 43.353 42.059 -0.127 0.000 1.188 749 L HN 0.489 nan 8.230 nan 0.000 0.476 750 P HA 0.165 nan 4.420 nan 0.000 0.286 750 P C 0.842 178.073 177.300 -0.115 0.000 1.293 750 P CA -0.375 62.553 63.100 -0.288 0.000 0.770 750 P CB 0.850 32.376 31.700 -0.291 0.000 1.206 751 A N 0.719 123.511 122.820 -0.047 0.000 2.042 751 A HA -0.200 4.120 4.320 -0.000 0.000 0.222 751 A C 1.221 178.814 177.584 0.015 0.000 1.167 751 A CA 2.332 54.368 52.037 -0.002 0.000 0.649 751 A CB -1.417 17.592 19.000 0.015 0.000 0.809 751 A HN 0.686 nan 8.150 nan 0.000 0.457 752 D N -2.120 118.292 120.400 0.019 0.000 2.462 752 D HA 0.185 4.825 4.640 -0.000 0.000 0.221 752 D C 0.224 176.623 176.300 0.165 0.000 1.173 752 D CA -0.064 53.983 54.000 0.079 0.000 0.831 752 D CB -0.016 40.815 40.800 0.051 0.000 1.001 752 D HN 0.332 nan 8.370 nan 0.000 0.499 753 K N 0.672 121.120 120.400 0.081 0.000 2.443 753 K HA 0.501 4.821 4.320 -0.000 0.000 0.252 753 K C -1.500 175.052 176.600 -0.080 0.000 0.933 753 K CA -0.814 55.529 56.287 0.094 0.000 0.792 753 K CB 2.484 34.987 32.500 0.005 0.000 1.185 753 K HN 0.072 nan 8.250 nan 0.000 0.425 754 I N 1.522 121.945 120.570 -0.244 0.000 2.750 754 I HA 0.462 4.631 4.170 -0.000 0.000 0.308 754 I C 0.069 176.033 176.117 -0.256 0.000 1.016 754 I CA -0.629 60.459 61.300 -0.353 0.000 1.098 754 I CB 1.775 39.416 38.000 -0.598 0.000 1.279 754 I HN 0.761 nan 8.210 nan 0.000 0.454 755 G N 6.948 115.615 108.800 -0.221 0.000 2.358 755 G HA2 0.486 4.446 3.960 -0.000 0.000 0.273 755 G HA3 0.486 4.446 3.960 -0.000 0.000 0.273 755 G C -1.012 173.721 174.900 -0.278 0.000 1.215 755 G CA -0.269 44.750 45.100 -0.135 0.000 0.910 755 G HN 0.496 nan 8.290 nan 0.000 0.467 756 L N 3.111 124.135 121.223 -0.331 0.000 2.441 756 L HA 0.377 4.717 4.340 -0.000 0.000 0.270 756 L C -1.026 175.581 176.870 -0.438 0.000 0.973 756 L CA -0.846 53.758 54.840 -0.393 0.000 0.842 756 L CB 2.094 43.904 42.059 -0.415 0.000 1.239 756 L HN 0.595 nan 8.230 nan 0.000 0.406 757 H N 3.010 122.062 119.070 -0.030 0.000 2.637 757 H HA 0.599 5.155 4.556 -0.000 0.000 0.363 757 H C -0.907 174.629 175.328 0.346 0.000 1.131 757 H CA -0.478 55.678 56.048 0.179 0.000 1.183 757 H CB 2.260 32.109 29.762 0.145 0.000 1.637 757 H HN 0.364 nan 8.280 nan 0.000 0.531 758 L N 2.420 123.948 121.223 0.508 0.000 2.282 758 L HA 0.432 4.772 4.340 -0.000 0.000 0.288 758 L C 0.426 177.577 176.870 0.468 0.000 1.033 758 L CA -0.594 54.503 54.840 0.428 0.000 0.807 758 L CB 1.161 43.395 42.059 0.292 0.000 1.209 758 L HN 0.429 nan 8.230 nan 0.000 0.423 759 R N 1.958 122.636 120.500 0.296 0.000 2.389 759 R HA 0.294 4.634 4.340 -0.000 0.000 0.295 759 R C 0.231 176.610 176.300 0.133 0.000 1.075 759 R CA -0.355 55.694 56.100 -0.084 0.000 1.005 759 R CB 0.960 31.159 30.300 -0.168 0.000 0.987 759 R HN 0.794 nan 8.270 nan 0.000 0.452 760 G N 1.372 110.183 108.800 0.018 0.000 2.340 760 G HA2 0.341 4.301 3.960 -0.000 0.000 0.245 760 G HA3 0.341 4.301 3.960 -0.000 0.000 0.245 760 G C 0.758 175.751 174.900 0.155 0.000 1.294 760 G CA 0.297 45.505 45.100 0.180 0.000 0.896 760 G HN 0.937 nan 8.290 nan 0.000 0.522 761 G N 0.501 109.367 108.800 0.110 0.000 2.148 761 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.203 761 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.203 761 G C -0.089 174.634 174.900 -0.295 0.000 0.993 761 G CA 0.270 45.319 45.100 -0.086 0.000 0.661 761 G HN 0.822 nan 8.290 nan 0.000 0.518 762 Y N -0.612 119.724 120.300 0.061 0.000 2.477 762 Y HA 0.728 5.278 4.550 -0.000 0.000 0.347 762 Y C 0.438 176.369 175.900 0.051 0.000 0.981 762 Y CA -1.130 57.017 58.100 0.080 0.000 1.033 762 Y CB 1.715 40.230 38.460 0.091 0.000 1.245 762 Y HN 0.090 nan 8.280 nan 0.000 0.455 763 I N 5.089 125.801 120.570 0.236 0.000 2.406 763 I HA 0.490 4.659 4.170 -0.000 0.000 0.290 763 I C -0.744 175.485 176.117 0.186 0.000 0.999 763 I CA -0.819 60.565 61.300 0.140 0.000 1.124 763 I CB 1.339 39.422 38.000 0.140 0.000 1.289 763 I HN 0.471 nan 8.210 nan 0.000 0.441 764 I N 5.172 125.753 120.570 0.017 0.000 2.509 764 I HA 0.680 4.850 4.170 -0.000 0.000 0.293 764 I C -2.758 173.385 176.117 0.043 0.000 1.020 764 I CA -2.371 58.933 61.300 0.006 0.000 1.088 764 I CB 2.170 39.905 38.000 -0.441 0.000 1.267 764 I HN 0.208 nan 8.210 nan 0.000 0.430 765 P HA 0.445 nan 4.420 nan 0.000 0.285 765 P C -0.890 176.518 177.300 0.180 0.000 1.259 765 P CA -0.152 62.997 63.100 0.082 0.000 0.794 765 P CB 1.466 33.219 31.700 0.089 0.000 0.940 766 I N -1.112 119.499 120.570 0.069 0.000 3.042 766 I HA 0.692 4.862 4.170 -0.000 0.000 0.310 766 I C -0.969 175.191 176.117 0.073 0.000 1.117 766 I CA -1.385 60.005 61.300 0.150 0.000 1.003 766 I CB 2.645 40.729 38.000 0.140 0.000 1.228 766 I HN 0.219 nan 8.210 nan 0.000 0.443 767 Q N 1.990 121.873 119.800 0.139 0.000 2.323 767 Q HA 0.367 4.707 4.340 -0.000 0.000 0.271 767 Q C -1.291 174.777 176.000 0.115 0.000 1.048 767 Q CA -0.625 55.225 55.803 0.080 0.000 0.792 767 Q CB 2.189 31.000 28.738 0.121 0.000 1.280 767 Q HN 0.708 nan 8.270 nan 0.000 0.441 768 E N 5.159 125.394 120.200 0.058 0.000 2.585 768 E HA -0.010 4.340 4.350 -0.000 0.000 0.252 768 E C -2.090 174.577 176.600 0.111 0.000 0.981 768 E CA -0.709 55.732 56.400 0.067 0.000 0.943 768 E CB 0.366 30.081 29.700 0.024 0.000 0.923 768 E HN 0.375 nan 8.360 nan 0.000 0.486 769 P HA 0.186 nan 4.420 nan 0.000 0.277 769 P C -0.604 176.780 177.300 0.141 0.000 1.271 769 P CA -0.196 63.017 63.100 0.188 0.000 0.795 769 P CB 1.200 33.010 31.700 0.183 0.000 1.101 770 D N -1.591 118.909 120.400 0.167 0.000 2.921 770 D HA 0.120 4.760 4.640 -0.000 0.000 0.329 770 D C 0.717 177.030 176.300 0.021 0.000 1.293 770 D CA -0.337 53.718 54.000 0.093 0.000 0.964 770 D CB 1.513 42.377 40.800 0.107 0.000 1.435 770 D HN 0.089 nan 8.370 nan 0.000 0.548 771 V N -1.566 118.345 119.914 -0.004 0.000 3.541 771 V HA 0.281 4.401 4.120 -0.000 0.000 0.267 771 V C 0.690 176.771 176.094 -0.022 0.000 1.213 771 V CA 1.027 63.281 62.300 -0.077 0.000 1.149 771 V CB -0.588 31.220 31.823 -0.024 0.000 0.822 771 V HN 0.549 nan 8.190 nan 0.000 0.462 772 T N -3.758 110.872 114.554 0.127 0.000 2.883 772 T HA 0.410 4.760 4.350 -0.000 0.000 0.301 772 T C 0.845 175.758 174.700 0.354 0.000 1.158 772 T CA 0.306 62.551 62.100 0.243 0.000 1.007 772 T CB 1.550 70.466 68.868 0.080 0.000 1.186 772 T HN 0.360 nan 8.240 nan 0.000 0.499 773 T N -1.141 113.625 114.554 0.353 0.000 2.821 773 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 773 T C 1.914 176.729 174.700 0.192 0.000 1.046 773 T CA 1.859 64.142 62.100 0.305 0.000 1.139 773 T CB -1.386 67.689 68.868 0.345 0.000 0.871 773 T HN 0.652 nan 8.240 nan 0.000 0.454 774 T N 2.332 116.961 114.554 0.124 0.000 2.624 774 T HA -0.120 4.229 4.350 -0.000 0.000 0.268 774 T C 2.383 177.119 174.700 0.059 0.000 1.041 774 T CA 1.918 64.050 62.100 0.053 0.000 1.159 774 T CB -0.941 67.930 68.868 0.004 0.000 0.863 774 T HN 0.657 nan 8.240 nan 0.000 0.434 775 A N 1.411 124.277 122.820 0.076 0.000 1.872 775 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 775 A C 2.597 180.239 177.584 0.097 0.000 1.187 775 A CA 1.991 54.068 52.037 0.066 0.000 0.614 775 A CB -0.854 18.178 19.000 0.053 0.000 0.826 775 A HN 0.606 nan 8.150 nan 0.000 0.442 776 S N -0.062 115.733 115.700 0.158 0.000 2.402 776 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 776 S C 1.941 176.645 174.600 0.173 0.000 1.021 776 S CA 1.117 59.431 58.200 0.190 0.000 0.974 776 S CB -0.483 62.898 63.200 0.303 0.000 0.800 776 S HN 0.575 nan 8.310 nan 0.000 0.484 777 R N 1.506 122.105 120.500 0.164 0.000 2.120 777 R HA 0.042 4.382 4.340 -0.000 0.000 0.234 777 R C 2.239 178.623 176.300 0.140 0.000 1.123 777 R CA 1.447 57.650 56.100 0.172 0.000 0.975 777 R CB -0.232 30.102 30.300 0.058 0.000 0.866 777 R HN 0.534 nan 8.270 nan 0.000 0.446 778 K N 0.103 120.553 120.400 0.083 0.000 2.288 778 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 778 K C 0.447 177.052 176.600 0.008 0.000 1.048 778 K CA 0.293 56.605 56.287 0.042 0.000 0.956 778 K CB -0.046 32.469 32.500 0.026 0.000 0.746 778 K HN 0.126 nan 8.250 nan 0.000 0.461 779 N N 1.676 120.386 118.700 0.016 0.000 2.354 779 N HA 0.105 4.845 4.740 -0.000 0.000 0.246 779 N C -2.595 172.872 175.510 -0.073 0.000 1.285 779 N CA -1.634 51.409 53.050 -0.012 0.000 0.925 779 N CB -0.043 38.457 38.487 0.021 0.000 1.174 779 N HN -0.155 nan 8.380 nan 0.000 0.478 780 P HA 0.117 nan 4.420 nan 0.000 0.268 780 P C -0.142 177.053 177.300 -0.175 0.000 1.205 780 P CA 0.140 63.156 63.100 -0.140 0.000 0.771 780 P CB 0.596 32.239 31.700 -0.095 0.000 0.858 781 L N 1.565 122.605 121.223 -0.306 0.000 2.567 781 L HA 0.834 5.174 4.340 -0.000 0.000 0.238 781 L C 1.194 177.987 176.870 -0.127 0.000 1.168 781 L CA -0.067 54.572 54.840 -0.334 0.000 0.817 781 L CB 0.475 42.067 42.059 -0.779 0.000 1.409 781 L HN 0.500 nan 8.230 nan 0.000 0.502 782 G N -0.387 108.415 108.800 0.003 0.000 2.576 782 G HA2 0.617 4.577 3.960 -0.000 0.000 0.290 782 G HA3 0.617 4.577 3.960 -0.000 0.000 0.290 782 G C -2.024 172.820 174.900 -0.093 0.000 1.442 782 G CA -0.666 44.441 45.100 0.011 0.000 0.792 782 G HN 0.349 nan 8.290 nan 0.000 0.491 783 L N -0.050 121.029 121.223 -0.239 0.000 2.401 783 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 783 L C -0.672 176.030 176.870 -0.280 0.000 0.991 783 L CA -0.827 53.793 54.840 -0.367 0.000 0.818 783 L CB 2.505 44.150 42.059 -0.690 0.000 1.321 783 L HN 0.391 nan 8.230 nan 0.000 0.413 784 I N 2.638 123.070 120.570 -0.230 0.000 2.362 784 I HA 0.428 4.597 4.170 -0.000 0.000 0.289 784 I C -0.570 175.425 176.117 -0.204 0.000 0.994 784 I CA -0.897 60.276 61.300 -0.213 0.000 1.158 784 I CB 1.945 39.846 38.000 -0.166 0.000 1.315 784 I HN 0.171 nan 8.210 nan 0.000 0.451 785 V N 5.469 125.241 119.914 -0.236 0.000 2.370 785 V HA 0.604 4.724 4.120 -0.000 0.000 0.283 785 V C 0.353 176.304 176.094 -0.238 0.000 1.023 785 V CA -0.524 61.662 62.300 -0.190 0.000 0.857 785 V CB 1.416 33.127 31.823 -0.187 0.000 0.985 785 V HN 0.840 nan 8.190 nan 0.000 0.443 786 A N 6.500 129.223 122.820 -0.162 0.000 2.316 786 A HA 0.708 5.028 4.320 -0.000 0.000 0.324 786 A C -0.380 177.196 177.584 -0.014 0.000 1.375 786 A CA -0.489 51.401 52.037 -0.245 0.000 0.882 786 A CB 0.168 19.140 19.000 -0.047 0.000 1.152 786 A HN 0.841 nan 8.150 nan 0.000 0.512 787 L N 2.865 124.075 121.223 -0.022 0.000 2.455 787 L HA 0.342 4.682 4.340 -0.000 0.000 0.272 787 L C 1.298 178.280 176.870 0.187 0.000 1.174 787 L CA 0.004 54.906 54.840 0.102 0.000 0.869 787 L CB 0.746 42.868 42.059 0.105 0.000 1.130 787 L HN 0.799 nan 8.230 nan 0.000 0.474 788 G N 1.591 110.451 108.800 0.100 0.000 2.583 788 G HA2 0.201 4.160 3.960 -0.000 0.000 0.280 788 G HA3 0.201 4.160 3.960 -0.000 0.000 0.280 788 G C 0.529 175.455 174.900 0.044 0.000 1.376 788 G CA -0.340 44.797 45.100 0.062 0.000 1.043 788 G HN 0.754 nan 8.290 nan 0.000 0.538 789 E N 0.006 120.216 120.200 0.017 0.000 2.082 789 E HA -0.208 4.142 4.350 -0.000 0.000 0.215 789 E C 1.107 177.721 176.600 0.023 0.000 1.048 789 E CA 1.646 58.056 56.400 0.015 0.000 0.869 789 E CB -0.015 29.690 29.700 0.009 0.000 0.773 789 E HN 0.308 nan 8.360 nan 0.000 0.466 790 N N 0.851 119.562 118.700 0.019 0.000 2.327 790 N HA 0.062 4.802 4.740 -0.000 0.000 0.231 790 N C -0.853 174.673 175.510 0.027 0.000 1.130 790 N CA 0.074 53.135 53.050 0.019 0.000 0.845 790 N CB -0.055 38.438 38.487 0.009 0.000 1.073 790 N HN 0.226 nan 8.380 nan 0.000 0.496 791 N N 0.432 119.159 118.700 0.045 0.000 2.714 791 N HA -0.172 4.567 4.740 -0.000 0.000 0.252 791 N C -0.696 174.851 175.510 0.062 0.000 1.014 791 N CA 0.837 53.927 53.050 0.066 0.000 0.735 791 N CB -0.841 37.688 38.487 0.069 0.000 0.924 791 N HN 0.397 nan 8.380 nan 0.000 0.540 792 T N -3.075 111.506 114.554 0.045 0.000 2.865 792 T HA 0.907 5.257 4.350 -0.000 0.000 0.294 792 T C -0.751 173.958 174.700 0.015 0.000 1.119 792 T CA -0.309 61.810 62.100 0.032 0.000 1.007 792 T CB 2.915 71.787 68.868 0.008 0.000 1.225 792 T HN 0.378 nan 8.240 nan 0.000 0.515 793 A N 1.173 123.997 122.820 0.008 0.000 2.577 793 A HA 0.734 5.054 4.320 -0.000 0.000 0.297 793 A C -1.500 176.082 177.584 -0.002 0.000 1.060 793 A CA -1.026 50.998 52.037 -0.023 0.000 0.697 793 A CB 1.492 20.504 19.000 0.020 0.000 1.281 793 A HN 0.701 nan 8.150 nan 0.000 0.402 794 K N 0.169 120.535 120.400 -0.057 0.000 2.400 794 K HA 0.911 5.231 4.320 -0.000 0.000 0.246 794 K C -0.060 176.626 176.600 0.142 0.000 0.995 794 K CA -0.095 56.212 56.287 0.035 0.000 0.840 794 K CB 2.286 34.775 32.500 -0.018 0.000 1.293 794 K HN 1.749 nan 8.250 nan 0.000 0.445 795 G N 0.437 109.389 108.800 0.253 0.000 2.356 795 G HA2 0.461 4.421 3.960 -0.000 0.000 0.294 795 G HA3 0.461 4.421 3.960 -0.000 0.000 0.294 795 G C -1.985 173.073 174.900 0.263 0.000 1.423 795 G CA -0.681 44.654 45.100 0.391 0.000 0.806 795 G HN 0.615 nan 8.290 nan 0.000 0.527 796 D N -2.132 118.458 120.400 0.317 0.000 2.664 796 D HA 0.795 5.435 4.640 -0.000 0.000 0.292 796 D C -1.449 175.128 176.300 0.460 0.000 1.214 796 D CA -0.855 53.196 54.000 0.085 0.000 0.932 796 D CB 2.128 43.031 40.800 0.171 0.000 1.420 796 D HN 0.725 nan 8.370 nan 0.000 0.471 797 F N 0.239 120.333 119.950 0.240 0.000 2.623 797 F HA 0.565 5.091 4.527 -0.000 0.000 0.323 797 F C -2.494 173.594 175.800 0.482 0.000 1.158 797 F CA -1.597 56.703 58.000 0.501 0.000 1.030 797 F CB 1.509 40.934 39.000 0.708 0.000 1.280 797 F HN 0.420 nan 8.300 nan 0.000 0.474 798 F N 7.260 127.129 119.950 -0.135 0.000 2.458 798 F HA 0.629 5.155 4.527 -0.000 0.000 0.336 798 F C -1.819 173.811 175.800 -0.284 0.000 1.114 798 F CA -0.777 56.998 58.000 -0.375 0.000 0.987 798 F CB 1.221 39.859 39.000 -0.604 0.000 1.130 798 F HN 0.581 nan 8.300 nan 0.000 0.458 799 W N 8.983 129.513 121.300 -1.284 0.000 2.884 799 W HA 0.251 4.910 4.660 -0.000 0.000 0.336 799 W C -1.740 174.309 176.519 -0.784 0.000 1.038 799 W CA -0.643 56.215 57.345 -0.812 0.000 1.247 799 W CB 1.794 30.966 29.460 -0.479 0.000 1.351 799 W HN 0.748 nan 8.180 nan 0.000 0.446 800 D N 1.365 121.111 120.400 -1.090 0.000 2.784 800 D HA 0.194 4.834 4.640 -0.000 0.000 0.256 800 D C 0.761 176.248 176.300 -1.355 0.000 1.129 800 D CA -0.189 53.204 54.000 -1.011 0.000 1.102 800 D CB 0.045 40.573 40.800 -0.453 0.000 1.330 800 D HN 0.273 nan 8.370 nan 0.000 0.626 801 D N -1.908 117.821 120.400 -1.117 0.000 2.347 801 D HA 0.126 4.766 4.640 -0.000 0.000 0.215 801 D C 1.606 177.653 176.300 -0.422 0.000 0.976 801 D CA 1.018 54.607 54.000 -0.684 0.000 0.884 801 D CB -0.468 40.136 40.800 -0.327 0.000 0.915 801 D HN 0.844 nan 8.370 nan 0.000 0.526 802 G N -0.093 108.491 108.800 -0.359 0.000 2.148 802 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 802 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 802 G C 0.741 175.629 174.900 -0.019 0.000 0.981 802 G CA 0.592 45.566 45.100 -0.211 0.000 0.670 802 G HN 0.493 nan 8.290 nan 0.000 0.528 803 E N -1.421 118.770 120.200 -0.015 0.000 2.583 803 E HA 0.050 4.400 4.350 -0.000 0.000 0.204 803 E C 0.399 177.013 176.600 0.023 0.000 0.860 803 E CA 0.358 56.784 56.400 0.042 0.000 1.473 803 E CB 0.444 30.177 29.700 0.055 0.000 1.469 803 E HN 0.349 nan 8.360 nan 0.000 0.788 804 T N 3.030 117.585 114.554 0.002 0.000 2.901 804 T HA 0.113 4.463 4.350 -0.000 0.000 0.301 804 T C 0.187 174.892 174.700 0.008 0.000 1.012 804 T CA -0.074 62.032 62.100 0.009 0.000 1.135 804 T CB 1.000 69.870 68.868 0.003 0.000 0.936 804 T HN -0.135 nan 8.240 nan 0.000 0.539 805 K N 2.962 123.369 120.400 0.012 0.000 2.448 805 K HA -0.013 4.307 4.320 -0.000 0.000 0.278 805 K C 0.294 176.904 176.600 0.017 0.000 1.009 805 K CA 0.234 56.522 56.287 0.001 0.000 0.995 805 K CB 0.277 32.785 32.500 0.013 0.000 0.917 805 K HN 0.702 nan 8.250 nan 0.000 0.481 806 D N 1.282 121.688 120.400 0.011 0.000 2.800 806 D HA -0.144 4.496 4.640 -0.000 0.000 0.232 806 D C 1.008 177.360 176.300 0.087 0.000 1.137 806 D CA 1.437 55.465 54.000 0.048 0.000 0.718 806 D CB -1.336 39.493 40.800 0.049 0.000 1.084 806 D HN 0.774 nan 8.370 nan 0.000 0.432 807 T N -2.959 111.659 114.554 0.107 0.000 2.904 807 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 807 T C 2.174 177.085 174.700 0.353 0.000 1.059 807 T CA 0.513 62.721 62.100 0.181 0.000 1.137 807 T CB 0.173 69.131 68.868 0.150 0.000 0.879 807 T HN 0.320 nan 8.240 nan 0.000 0.467 808 I N 1.373 122.123 120.570 0.300 0.000 2.090 808 I HA -0.140 4.029 4.170 -0.000 0.000 0.236 808 I C 2.925 179.201 176.117 0.265 0.000 1.064 808 I CA 1.458 62.937 61.300 0.299 0.000 1.324 808 I CB -1.233 36.812 38.000 0.075 0.000 1.044 808 I HN 0.303 nan 8.210 nan 0.000 0.399 809 Q N 1.127 121.018 119.800 0.151 0.000 2.291 809 Q HA -0.177 4.162 4.340 -0.000 0.000 0.206 809 Q C 1.085 177.142 176.000 0.096 0.000 0.976 809 Q CA 1.292 57.155 55.803 0.101 0.000 0.875 809 Q CB -0.026 28.759 28.738 0.078 0.000 0.927 809 Q HN 0.519 nan 8.270 nan 0.000 0.450 810 N N -1.239 117.530 118.700 0.115 0.000 2.205 810 N HA 0.124 4.864 4.740 -0.000 0.000 0.201 810 N C 0.479 176.039 175.510 0.083 0.000 1.128 810 N CA 0.842 53.944 53.050 0.087 0.000 0.867 810 N CB 1.103 39.634 38.487 0.073 0.000 0.996 810 N HN 0.296 nan 8.380 nan 0.000 0.503 811 G N 1.124 109.989 108.800 0.109 0.000 2.137 811 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.237 811 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.237 811 G C -0.168 174.673 174.900 -0.098 0.000 1.002 811 G CA -0.297 44.753 45.100 -0.083 0.000 0.702 811 G HN 0.275 nan 8.290 nan 0.000 0.515 812 N N 0.491 119.230 118.700 0.065 0.000 3.250 812 N HA 0.435 5.174 4.740 -0.000 0.000 0.307 812 N C -0.091 175.480 175.510 0.101 0.000 1.355 812 N CA 0.674 53.766 53.050 0.070 0.000 1.192 812 N CB -0.249 38.285 38.487 0.078 0.000 1.478 812 N HN 0.813 nan 8.380 nan 0.000 0.543 813 Y N -2.301 118.077 120.300 0.130 0.000 2.744 813 Y HA 0.641 5.191 4.550 -0.000 0.000 0.330 813 Y C -1.150 174.825 175.900 0.124 0.000 1.263 813 Y CA -1.441 56.644 58.100 -0.025 0.000 1.065 813 Y CB 0.859 39.205 38.460 -0.191 0.000 1.306 813 Y HN -0.166 nan 8.280 nan 0.000 0.459 814 I N 2.385 123.132 120.570 0.295 0.000 2.433 814 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 814 I C -1.272 175.009 176.117 0.273 0.000 1.001 814 I CA -0.825 60.642 61.300 0.278 0.000 1.119 814 I CB 1.770 39.953 38.000 0.305 0.000 1.289 814 I HN 0.525 nan 8.210 nan 0.000 0.438 815 L N 7.029 128.427 121.223 0.292 0.000 2.333 815 L HA 0.625 4.964 4.340 -0.000 0.000 0.269 815 L C -1.568 175.340 176.870 0.062 0.000 1.010 815 L CA -0.416 54.562 54.840 0.231 0.000 0.818 815 L CB 1.711 43.987 42.059 0.362 0.000 1.306 815 L HN 0.376 nan 8.230 nan 0.000 0.430 816 Y N 0.036 120.416 120.300 0.133 0.000 2.588 816 Y HA 0.649 5.199 4.550 -0.000 0.000 0.343 816 Y C -0.308 175.474 175.900 -0.198 0.000 1.065 816 Y CA -0.563 57.551 58.100 0.023 0.000 1.038 816 Y CB 2.581 41.105 38.460 0.108 0.000 1.297 816 Y HN 0.637 nan 8.280 nan 0.000 0.467 817 T N -0.574 113.940 114.554 -0.066 0.000 2.876 817 T HA 0.777 5.126 4.350 -0.000 0.000 0.289 817 T C -1.285 173.258 174.700 -0.261 0.000 1.014 817 T CA -0.670 61.310 62.100 -0.199 0.000 0.986 817 T CB 0.978 69.850 68.868 0.006 0.000 1.021 817 T HN 0.229 nan 8.240 nan 0.000 0.458 818 F N 1.099 121.166 119.950 0.195 0.000 2.538 818 F HA 0.808 5.335 4.527 -0.000 0.000 0.325 818 F C 0.467 176.321 175.800 0.089 0.000 1.066 818 F CA -0.948 57.120 58.000 0.114 0.000 0.946 818 F CB 2.284 41.314 39.000 0.050 0.000 1.199 818 F HN 0.889 nan 8.300 nan 0.000 0.473 819 S N 0.264 116.120 115.700 0.259 0.000 2.562 819 S HA 0.771 5.241 4.470 -0.000 0.000 0.274 819 S C -1.634 173.042 174.600 0.128 0.000 1.160 819 S CA -0.780 57.511 58.200 0.151 0.000 0.933 819 S CB 1.108 64.371 63.200 0.105 0.000 1.100 819 S HN 0.438 nan 8.310 nan 0.000 0.468 820 V N 2.528 122.505 119.914 0.105 0.000 2.628 820 V HA 0.979 5.099 4.120 -0.000 0.000 0.306 820 V C -0.241 175.887 176.094 0.055 0.000 1.045 820 V CA -0.123 62.243 62.300 0.110 0.000 0.905 820 V CB 1.604 33.537 31.823 0.183 0.000 0.997 820 V HN 1.372 nan 8.190 nan 0.000 0.436 821 S N 2.276 117.981 115.700 0.008 0.000 2.597 821 S HA 0.456 4.926 4.470 -0.000 0.000 0.274 821 S C -0.417 174.121 174.600 -0.103 0.000 1.132 821 S CA -0.726 57.459 58.200 -0.025 0.000 0.835 821 S CB 1.183 64.371 63.200 -0.019 0.000 1.092 821 S HN 0.750 nan 8.310 nan 0.000 0.457 822 N N 1.429 120.066 118.700 -0.105 0.000 2.714 822 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 822 N C -0.243 175.079 175.510 -0.313 0.000 1.117 822 N CA 1.272 54.225 53.050 -0.163 0.000 0.719 822 N CB -2.077 36.323 38.487 -0.145 0.000 1.081 822 N HN 0.912 nan 8.380 nan 0.000 0.557 823 N N -2.415 116.066 118.700 -0.366 0.000 2.725 823 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 823 N C -0.958 173.575 175.510 -1.628 0.000 1.103 823 N CA 1.206 53.714 53.050 -0.904 0.000 0.707 823 N CB -0.672 37.283 38.487 -0.886 0.000 1.043 823 N HN 0.407 nan 8.380 nan 0.000 0.553 824 T N 0.525 114.545 114.554 -0.889 0.000 2.928 824 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 824 T C -1.093 173.486 174.700 -0.203 0.000 1.000 824 T CA -0.718 60.991 62.100 -0.652 0.000 0.989 824 T CB 1.196 69.846 68.868 -0.363 0.000 1.005 824 T HN 0.259 nan 8.240 nan 0.000 0.442 825 L N 4.330 125.566 121.223 0.022 0.000 2.289 825 L HA 0.734 5.073 4.340 -0.000 0.000 0.285 825 L C -0.960 175.983 176.870 0.121 0.000 1.049 825 L CA 0.067 55.016 54.840 0.181 0.000 0.804 825 L CB 1.275 43.505 42.059 0.285 0.000 1.195 825 L HN 0.535 nan 8.230 nan 0.000 0.428 826 D N 5.428 125.910 120.400 0.137 0.000 2.453 826 D HA 0.411 5.051 4.640 -0.000 0.000 0.238 826 D C -0.589 175.859 176.300 0.247 0.000 1.088 826 D CA 0.183 54.277 54.000 0.157 0.000 0.854 826 D CB 1.053 41.922 40.800 0.116 0.000 1.076 826 D HN 0.456 nan 8.370 nan 0.000 0.533 827 I N 2.786 123.529 120.570 0.287 0.000 2.291 827 I HA 0.232 4.401 4.170 -0.000 0.000 0.292 827 I C -0.457 175.933 176.117 0.456 0.000 1.064 827 I CA -0.594 60.967 61.300 0.436 0.000 1.269 827 I CB 0.837 39.031 38.000 0.324 0.000 1.418 827 I HN -0.008 nan 8.210 nan 0.000 0.485 828 V N 6.515 126.693 119.914 0.439 0.000 2.378 828 V HA 0.178 4.297 4.120 -0.000 0.000 0.288 828 V C -0.125 176.065 176.094 0.160 0.000 1.016 828 V CA -0.659 61.800 62.300 0.264 0.000 0.840 828 V CB 1.815 33.725 31.823 0.144 0.000 0.994 828 V HN 0.853 nan 8.190 nan 0.000 0.431 829 C N 5.087 124.342 119.300 -0.076 0.000 2.499 829 C HA 0.427 4.887 4.460 -0.000 0.000 0.386 829 C C 1.802 176.676 174.990 -0.194 0.000 1.293 829 C CA 0.470 59.171 59.018 -0.529 0.000 1.884 829 C CB 0.144 27.558 27.740 -0.544 0.000 2.509 829 C HN 1.041 nan 8.230 nan 0.000 0.566 830 T N 1.136 115.614 114.554 -0.127 0.000 3.022 830 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 830 T C 0.111 174.878 174.700 0.111 0.000 1.060 830 T CA 0.409 62.524 62.100 0.025 0.000 1.013 830 T CB -0.204 68.717 68.868 0.089 0.000 0.982 830 T HN 0.848 nan 8.240 nan 0.000 0.508 831 H N 0.063 119.100 119.070 -0.055 0.000 3.085 831 H HA 0.599 5.155 4.556 -0.000 0.000 0.356 831 H C -1.814 173.461 175.328 -0.088 0.000 1.178 831 H CA -0.527 55.486 56.048 -0.058 0.000 1.214 831 H CB 2.141 31.890 29.762 -0.022 0.000 1.881 831 H HN 0.046 nan 8.280 nan 0.000 0.538 832 S N 3.380 118.778 115.700 -0.504 0.000 2.571 832 S HA 0.362 4.832 4.470 -0.000 0.000 0.238 832 S C -1.141 173.279 174.600 -0.299 0.000 1.153 832 S CA -0.245 57.803 58.200 -0.254 0.000 1.141 832 S CB 0.366 63.487 63.200 -0.132 0.000 1.133 832 S HN 0.536 nan 8.310 nan 0.000 0.464 833 S N 4.284 119.876 115.700 -0.181 0.000 2.694 833 S HA 0.351 4.821 4.470 -0.000 0.000 0.232 833 S C -1.501 173.167 174.600 0.113 0.000 1.017 833 S CA -0.223 57.929 58.200 -0.081 0.000 1.139 833 S CB 0.138 63.266 63.200 -0.120 0.000 1.247 833 S HN 0.733 nan 8.310 nan 0.000 0.452 834 Y N 3.524 123.815 120.300 -0.015 0.000 2.520 834 Y HA 0.248 4.798 4.550 -0.000 0.000 0.339 834 Y C 1.096 177.024 175.900 0.046 0.000 1.113 834 Y CA -1.315 56.803 58.100 0.030 0.000 1.255 834 Y CB 0.279 38.777 38.460 0.064 0.000 1.099 834 Y HN 0.363 nan 8.280 nan 0.000 0.628 835 Q N 1.396 121.165 119.800 -0.053 0.000 2.165 835 Q HA -0.336 4.004 4.340 -0.000 0.000 0.215 835 Q C 1.319 177.145 176.000 -0.291 0.000 1.010 835 Q CA 2.605 58.329 55.803 -0.131 0.000 0.896 835 Q CB -0.425 28.280 28.738 -0.056 0.000 0.956 835 Q HN 0.741 nan 8.270 nan 0.000 0.413 836 E N 0.703 120.562 120.200 -0.568 0.000 2.047 836 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 836 E C 2.161 178.441 176.600 -0.533 0.000 0.987 836 E CA 1.740 57.814 56.400 -0.543 0.000 0.799 836 E CB -0.987 28.424 29.700 -0.480 0.000 0.752 836 E HN 0.524 nan 8.360 nan 0.000 0.449 837 G N -0.683 107.569 108.800 -0.915 0.000 2.462 837 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.220 837 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.220 837 G C 1.609 176.452 174.900 -0.094 0.000 1.121 837 G CA 1.305 46.293 45.100 -0.186 0.000 0.758 837 G HN 0.353 nan 8.290 nan 0.000 0.559 838 T N 1.005 115.489 114.554 -0.117 0.000 2.881 838 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 838 T C 2.659 177.336 174.700 -0.040 0.000 1.068 838 T CA 1.820 63.901 62.100 -0.031 0.000 1.131 838 T CB -0.382 68.469 68.868 -0.028 0.000 0.871 838 T HN 0.593 nan 8.240 nan 0.000 0.479 839 T N -0.263 114.244 114.554 -0.080 0.000 3.113 839 T HA 0.268 4.618 4.350 -0.000 0.000 0.256 839 T C 0.663 175.313 174.700 -0.082 0.000 1.131 839 T CA 0.024 62.085 62.100 -0.065 0.000 1.074 839 T CB -0.401 68.428 68.868 -0.064 0.000 0.944 839 T HN 0.210 nan 8.240 nan 0.000 0.516 840 L N 1.421 122.573 121.223 -0.118 0.000 2.399 840 L HA 0.726 5.066 4.340 -0.000 0.000 0.266 840 L C 0.201 176.923 176.870 -0.246 0.000 1.114 840 L CA -0.924 53.799 54.840 -0.196 0.000 0.804 840 L CB 1.137 43.026 42.059 -0.284 0.000 1.146 840 L HN 0.249 nan 8.230 nan 0.000 0.451 841 A N 1.386 124.011 122.820 -0.325 0.000 2.549 841 A HA 0.680 5.000 4.320 -0.000 0.000 0.297 841 A C -1.247 176.066 177.584 -0.451 0.000 1.061 841 A CA -0.577 51.260 52.037 -0.335 0.000 0.690 841 A CB 0.810 19.715 19.000 -0.158 0.000 1.287 841 A HN 0.411 nan 8.150 nan 0.000 0.402 842 F N 1.524 121.338 119.950 -0.227 0.000 2.494 842 F HA 0.255 4.782 4.527 -0.000 0.000 0.369 842 F C 1.597 177.249 175.800 -0.247 0.000 1.098 842 F CA 0.477 58.312 58.000 -0.275 0.000 1.154 842 F CB 0.834 39.632 39.000 -0.337 0.000 1.103 842 F HN 0.676 nan 8.300 nan 0.000 0.549 843 Q N 0.948 120.710 119.800 -0.062 0.000 2.281 843 Q HA 0.100 4.440 4.340 -0.000 0.000 0.215 843 Q C 0.384 176.341 176.000 -0.073 0.000 0.867 843 Q CA 0.203 55.961 55.803 -0.075 0.000 0.940 843 Q CB 1.185 29.881 28.738 -0.070 0.000 1.111 843 Q HN 0.660 nan 8.270 nan 0.000 0.513 844 T N 0.100 114.606 114.554 -0.080 0.000 2.993 844 T HA 0.492 4.842 4.350 -0.000 0.000 0.312 844 T C -1.547 173.065 174.700 -0.147 0.000 1.115 844 T CA -0.636 61.404 62.100 -0.100 0.000 1.027 844 T CB 1.669 70.490 68.868 -0.077 0.000 1.116 844 T HN 0.009 nan 8.240 nan 0.000 0.464 845 V N 1.826 121.630 119.914 -0.183 0.000 2.709 845 V HA 0.804 4.924 4.120 -0.000 0.000 0.308 845 V C -0.875 175.069 176.094 -0.250 0.000 1.062 845 V CA -1.070 61.084 62.300 -0.244 0.000 0.901 845 V CB 1.746 33.396 31.823 -0.290 0.000 1.003 845 V HN 0.905 nan 8.190 nan 0.000 0.425 846 K N 3.850 124.086 120.400 -0.273 0.000 2.270 846 K HA 0.804 5.123 4.320 -0.000 0.000 0.255 846 K C -1.420 174.974 176.600 -0.345 0.000 0.936 846 K CA -0.532 55.588 56.287 -0.279 0.000 0.809 846 K CB 2.431 34.784 32.500 -0.245 0.000 1.131 846 K HN 0.755 nan 8.250 nan 0.000 0.427 847 I N 4.523 124.865 120.570 -0.380 0.000 2.410 847 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 847 I C -0.866 175.052 176.117 -0.331 0.000 1.009 847 I CA -0.564 60.485 61.300 -0.419 0.000 1.111 847 I CB 1.065 38.663 38.000 -0.670 0.000 1.262 847 I HN 0.286 nan 8.210 nan 0.000 0.443 848 L N 5.588 126.569 121.223 -0.403 0.000 2.322 848 L HA 0.710 5.050 4.340 -0.000 0.000 0.279 848 L C 1.048 177.686 176.870 -0.386 0.000 1.036 848 L CA -0.679 53.854 54.840 -0.513 0.000 0.807 848 L CB 1.377 42.850 42.059 -0.978 0.000 1.226 848 L HN 0.899 nan 8.230 nan 0.000 0.433 849 G N 2.766 111.543 108.800 -0.039 0.000 2.149 849 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.235 849 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.235 849 G C -0.250 174.736 174.900 0.143 0.000 1.018 849 G CA -0.505 44.729 45.100 0.223 0.000 0.728 849 G HN 0.456 nan 8.290 nan 0.000 0.508 850 L N 1.100 122.396 121.223 0.122 0.000 2.295 850 L HA 0.312 4.652 4.340 -0.000 0.000 0.288 850 L C 1.862 178.865 176.870 0.220 0.000 1.079 850 L CA 0.254 55.197 54.840 0.172 0.000 0.830 850 L CB 1.121 43.289 42.059 0.182 0.000 1.200 850 L HN 0.258 nan 8.230 nan 0.000 0.438 851 T N 1.223 115.872 114.554 0.159 0.000 2.995 851 T HA -0.069 4.280 4.350 -0.000 0.000 0.269 851 T C 0.389 175.172 174.700 0.138 0.000 1.091 851 T CA 0.617 62.801 62.100 0.141 0.000 1.128 851 T CB -0.184 68.741 68.868 0.094 0.000 0.891 851 T HN 0.780 nan 8.240 nan 0.000 0.492 852 D N 0.002 120.455 120.400 0.089 0.000 2.181 852 D HA 0.470 5.110 4.640 -0.000 0.000 0.248 852 D C -0.515 175.675 176.300 -0.183 0.000 1.020 852 D CA -0.602 53.401 54.000 0.005 0.000 0.891 852 D CB 1.261 42.060 40.800 -0.002 0.000 1.187 852 D HN -0.117 nan 8.370 nan 0.000 0.443 853 S N 0.579 116.186 115.700 -0.154 0.000 2.576 853 S HA 0.364 4.834 4.470 -0.000 0.000 0.276 853 S C -0.191 174.227 174.600 -0.302 0.000 1.339 853 S CA -0.837 57.181 58.200 -0.302 0.000 1.039 853 S CB 0.997 64.184 63.200 -0.023 0.000 0.902 853 S HN 0.411 nan 8.310 nan 0.000 0.516 854 V N 2.922 122.623 119.914 -0.356 0.000 2.448 854 V HA 0.320 4.440 4.120 -0.000 0.000 0.295 854 V C 0.678 176.818 176.094 0.077 0.000 1.025 854 V CA -0.560 61.660 62.300 -0.133 0.000 0.859 854 V CB 1.561 33.298 31.823 -0.142 0.000 0.988 854 V HN 1.046 nan 8.190 nan 0.000 0.431 855 T N 2.244 116.830 114.554 0.054 0.000 3.045 855 T HA 0.155 4.505 4.350 -0.000 0.000 0.239 855 T C 0.333 175.120 174.700 0.146 0.000 1.008 855 T CA 0.260 62.436 62.100 0.126 0.000 1.143 855 T CB 0.356 69.259 68.868 0.058 0.000 0.894 855 T HN 0.569 nan 8.240 nan 0.000 0.451 856 E N 0.618 120.784 120.200 -0.056 0.000 2.292 856 E HA 0.577 4.927 4.350 -0.000 0.000 0.272 856 E C -1.840 174.569 176.600 -0.318 0.000 0.881 856 E CA -0.628 55.683 56.400 -0.147 0.000 0.754 856 E CB 2.054 31.730 29.700 -0.040 0.000 1.201 856 E HN -0.069 nan 8.360 nan 0.000 0.425 857 V N 4.587 124.250 119.914 -0.419 0.000 2.495 857 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 857 V C -0.278 175.771 176.094 -0.076 0.000 1.031 857 V CA -0.683 61.440 62.300 -0.295 0.000 0.871 857 V CB 1.726 33.268 31.823 -0.468 0.000 0.988 857 V HN 0.606 nan 8.190 nan 0.000 0.432 858 R N 2.775 123.256 120.500 -0.031 0.000 2.750 858 R HA 0.886 5.226 4.340 -0.000 0.000 0.281 858 R C -1.635 174.681 176.300 0.026 0.000 0.972 858 R CA -0.729 55.379 56.100 0.013 0.000 0.912 858 R CB 2.629 32.926 30.300 -0.005 0.000 1.187 858 R HN 0.483 nan 8.270 nan 0.000 0.464 859 V N 1.160 121.107 119.914 0.054 0.000 2.760 859 V HA 0.795 4.914 4.120 -0.000 0.000 0.309 859 V C -0.988 175.176 176.094 0.116 0.000 1.077 859 V CA -0.710 61.632 62.300 0.069 0.000 0.910 859 V CB 1.935 33.773 31.823 0.026 0.000 1.008 859 V HN 0.939 nan 8.190 nan 0.000 0.424 860 A N 3.264 126.180 122.820 0.159 0.000 2.449 860 A HA 0.821 5.141 4.320 -0.000 0.000 0.302 860 A C -0.650 177.068 177.584 0.223 0.000 1.048 860 A CA -0.545 51.587 52.037 0.158 0.000 0.708 860 A CB 1.798 20.848 19.000 0.083 0.000 1.274 860 A HN 0.826 nan 8.150 nan 0.000 0.410 870 S N 1.970 117.588 115.700 -0.137 0.000 2.506 870 S HA 0.035 4.505 4.470 -0.000 0.000 0.230 870 S C 0.715 175.397 174.600 0.136 0.000 1.066 870 S CA -0.142 58.101 58.200 0.071 0.000 0.940 870 S CB 0.072 63.248 63.200 -0.040 0.000 0.818 870 S HN 0.645 nan 8.310 nan 0.000 0.518 871 N N 1.527 120.198 118.700 -0.048 0.000 2.549 871 N HA 0.213 4.953 4.740 -0.000 0.000 0.267 871 N C -1.334 174.367 175.510 0.319 0.000 1.182 871 N CA 0.030 53.118 53.050 0.065 0.000 1.019 871 N CB -0.079 38.418 38.487 0.017 0.000 1.380 871 N HN 0.294 nan 8.380 nan 0.000 0.505 872 F N -0.421 119.577 119.950 0.080 0.000 2.631 872 F HA 0.534 5.061 4.527 -0.000 0.000 0.308 872 F C -1.343 174.483 175.800 0.042 0.000 1.097 872 F CA -0.851 57.192 58.000 0.072 0.000 0.952 872 F CB 1.470 40.528 39.000 0.097 0.000 1.307 872 F HN -0.162 nan 8.300 nan 0.000 0.450 873 T N 2.519 117.104 114.554 0.052 0.000 2.937 873 T HA 0.315 4.664 4.350 -0.000 0.000 0.297 873 T C -2.110 172.660 174.700 0.116 0.000 0.991 873 T CA -0.472 61.606 62.100 -0.038 0.000 0.990 873 T CB 0.934 69.762 68.868 -0.066 0.000 0.991 873 T HN 0.697 nan 8.240 nan 0.000 0.440 874 Y N 2.769 123.069 120.300 0.001 0.000 2.331 874 Y HA 0.544 5.094 4.550 -0.000 0.000 0.338 874 Y C -0.676 175.216 175.900 -0.014 0.000 0.992 874 Y CA -1.199 56.916 58.100 0.026 0.000 1.121 874 Y CB 1.141 39.660 38.460 0.098 0.000 1.184 874 Y HN 0.487 nan 8.280 nan 0.000 0.469 875 D N 4.487 124.464 120.400 -0.704 0.000 2.329 875 D HA 0.385 5.025 4.640 -0.000 0.000 0.232 875 D C 0.334 176.104 176.300 -0.883 0.000 1.088 875 D CA 0.119 53.771 54.000 -0.581 0.000 0.835 875 D CB 1.786 42.386 40.800 -0.333 0.000 1.078 875 D HN 0.779 nan 8.370 nan 0.000 0.495 876 A N 2.704 125.187 122.820 -0.561 0.000 2.016 876 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 876 A C 1.956 179.441 177.584 -0.166 0.000 1.162 876 A CA 0.913 52.764 52.037 -0.311 0.000 0.662 876 A CB 0.083 19.061 19.000 -0.037 0.000 0.812 876 A HN 0.516 nan 8.150 nan 0.000 0.450 877 S N 0.299 115.904 115.700 -0.158 0.000 2.425 877 S HA -0.039 4.431 4.470 -0.000 0.000 0.225 877 S C 1.593 176.136 174.600 -0.096 0.000 1.024 877 S CA 0.858 59.001 58.200 -0.095 0.000 0.951 877 S CB -0.207 62.946 63.200 -0.079 0.000 0.796 877 S HN 0.581 nan 8.310 nan 0.000 0.498 878 N N 0.804 119.421 118.700 -0.138 0.000 2.373 878 N HA 0.086 4.826 4.740 -0.000 0.000 0.181 878 N C -0.202 175.250 175.510 -0.096 0.000 1.082 878 N CA 0.202 53.186 53.050 -0.109 0.000 0.885 878 N CB 0.013 38.427 38.487 -0.122 0.000 0.977 878 N HN 0.102 nan 8.380 nan 0.000 0.462 879 Q N -0.974 118.732 119.800 -0.157 0.000 2.494 879 Q HA -0.142 4.198 4.340 -0.000 0.000 0.272 879 Q C -0.954 175.008 176.000 -0.063 0.000 1.145 879 Q CA 0.453 56.212 55.803 -0.074 0.000 0.943 879 Q CB -2.361 26.411 28.738 0.057 0.000 1.338 879 Q HN 0.096 nan 8.270 nan 0.000 0.492 880 V N 1.218 121.011 119.914 -0.200 0.000 2.417 880 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 880 V C 0.084 176.105 176.094 -0.121 0.000 1.024 880 V CA -0.866 61.340 62.300 -0.158 0.000 0.861 880 V CB 1.782 33.502 31.823 -0.172 0.000 0.985 880 V HN 0.298 nan 8.190 nan 0.000 0.436 881 L N 6.171 127.372 121.223 -0.037 0.000 2.296 881 L HA 0.705 5.045 4.340 -0.000 0.000 0.286 881 L C -0.859 175.951 176.870 -0.100 0.000 1.023 881 L CA -0.249 54.610 54.840 0.032 0.000 0.812 881 L CB 1.449 43.510 42.059 0.003 0.000 1.223 881 L HN 0.643 nan 8.230 nan 0.000 0.421 882 L N 6.559 127.762 121.223 -0.034 0.000 2.296 882 L HA 0.639 4.979 4.340 -0.000 0.000 0.286 882 L C -1.108 175.771 176.870 0.017 0.000 1.023 882 L CA -0.010 54.795 54.840 -0.059 0.000 0.812 882 L CB 1.239 43.263 42.059 -0.058 0.000 1.223 882 L HN 0.588 nan 8.230 nan 0.000 0.421 883 I N 5.876 126.422 120.570 -0.040 0.000 2.390 883 I HA 0.673 4.843 4.170 -0.000 0.000 0.283 883 I C -0.027 176.080 176.117 -0.017 0.000 1.016 883 I CA -0.288 61.020 61.300 0.013 0.000 1.151 883 I CB 1.370 39.310 38.000 -0.100 0.000 1.293 883 I HN 0.783 nan 8.210 nan 0.000 0.458 884 A N 4.046 126.914 122.820 0.081 0.000 2.350 884 A HA 0.564 4.884 4.320 -0.000 0.000 0.318 884 A C 0.167 177.849 177.584 0.165 0.000 1.132 884 A CA -0.350 51.724 52.037 0.062 0.000 0.811 884 A CB 1.015 20.034 19.000 0.033 0.000 1.313 884 A HN 0.833 nan 8.150 nan 0.000 0.454 885 D N -0.520 119.934 120.400 0.090 0.000 2.760 885 D HA -0.125 4.515 4.640 -0.000 0.000 0.244 885 D C -0.950 175.448 176.300 0.164 0.000 1.123 885 D CA 0.681 54.745 54.000 0.106 0.000 0.719 885 D CB -0.789 40.066 40.800 0.092 0.000 1.045 885 D HN 0.464 nan 8.370 nan 0.000 0.426 886 L N 0.658 121.898 121.223 0.029 0.000 2.352 886 L HA 0.428 4.768 4.340 -0.000 0.000 0.269 886 L C 1.117 177.950 176.870 -0.062 0.000 1.034 886 L CA -0.608 54.200 54.840 -0.054 0.000 0.806 886 L CB 1.470 43.409 42.059 -0.199 0.000 1.244 886 L HN -0.085 nan 8.230 nan 0.000 0.447 887 K N 3.771 124.117 120.400 -0.091 0.000 3.022 887 K HA 0.361 4.681 4.320 -0.000 0.000 0.178 887 K C -1.079 175.409 176.600 -0.187 0.000 1.089 887 K CA -0.156 56.080 56.287 -0.086 0.000 0.916 887 K CB 0.386 32.878 32.500 -0.013 0.000 1.159 887 K HN 0.438 nan 8.250 nan 0.000 0.592 888 L N 2.030 123.068 121.223 -0.309 0.000 2.449 888 L HA 0.236 4.576 4.340 -0.000 0.000 0.255 888 L C -0.396 176.406 176.870 -0.113 0.000 1.167 888 L CA -0.705 53.743 54.840 -0.654 0.000 1.090 888 L CB -0.761 40.838 42.059 -0.766 0.000 1.385 888 L HN 0.271 nan 8.230 nan 0.000 0.411 889 N N 1.404 120.171 118.700 0.111 0.000 2.454 889 N HA 0.197 4.937 4.740 -0.000 0.000 0.254 889 N C -0.339 175.389 175.510 0.364 0.000 1.228 889 N CA -0.408 52.751 53.050 0.181 0.000 0.900 889 N CB 0.619 39.210 38.487 0.173 0.000 1.089 889 N HN 0.237 nan 8.380 nan 0.000 0.449 890 L N 1.278 122.634 121.223 0.220 0.000 2.461 890 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 890 L C 1.535 178.618 176.870 0.355 0.000 1.197 890 L CA 0.931 56.008 54.840 0.396 0.000 0.836 890 L CB 0.134 42.343 42.059 0.250 0.000 1.105 890 L HN 0.836 nan 8.230 nan 0.000 0.477 891 G N 1.735 110.778 108.800 0.404 0.000 2.136 891 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 891 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 891 G C 0.363 175.338 174.900 0.125 0.000 0.989 891 G CA 0.009 45.205 45.100 0.160 0.000 0.682 891 G HN 0.544 nan 8.290 nan 0.000 0.522 892 R N -0.430 120.214 120.500 0.241 0.000 2.651 892 R HA 0.417 4.757 4.340 -0.000 0.000 0.278 892 R C -0.859 175.420 176.300 -0.035 0.000 1.010 892 R CA -0.982 55.131 56.100 0.022 0.000 0.896 892 R CB 0.889 31.152 30.300 -0.063 0.000 1.211 892 R HN 0.142 nan 8.270 nan 0.000 0.456 893 N N 2.046 120.609 118.700 -0.228 0.000 2.529 893 N HA 0.371 5.110 4.740 -0.000 0.000 0.278 893 N C -0.994 174.242 175.510 -0.456 0.000 1.146 893 N CA 0.369 53.344 53.050 -0.125 0.000 0.980 893 N CB 0.637 39.093 38.487 -0.052 0.000 1.124 893 N HN 0.251 nan 8.380 nan 0.000 0.458 894 F N -0.701 119.347 119.950 0.163 0.000 2.650 894 F HA 0.532 5.059 4.527 -0.000 0.000 0.320 894 F C -0.047 175.801 175.800 0.080 0.000 1.091 894 F CA -0.684 57.380 58.000 0.107 0.000 0.962 894 F CB 1.738 40.797 39.000 0.097 0.000 1.363 894 F HN 0.143 nan 8.300 nan 0.000 0.482 895 S N 0.725 116.593 115.700 0.280 0.000 2.614 895 S HA 0.667 5.137 4.470 -0.000 0.000 0.275 895 S C -1.528 173.142 174.600 0.117 0.000 1.161 895 S CA -0.712 57.578 58.200 0.150 0.000 0.969 895 S CB 1.816 65.067 63.200 0.084 0.000 1.059 895 S HN 0.329 nan 8.310 nan 0.000 0.482 896 V N 3.322 123.297 119.914 0.103 0.000 2.555 896 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 896 V C -0.442 175.706 176.094 0.090 0.000 1.038 896 V CA -0.650 61.717 62.300 0.112 0.000 0.887 896 V CB 1.774 33.675 31.823 0.130 0.000 0.991 896 V HN 0.835 nan 8.190 nan 0.000 0.434 897 Q N 2.992 122.812 119.800 0.033 0.000 2.353 897 Q HA 0.577 4.917 4.340 -0.000 0.000 0.268 897 Q C -1.316 174.687 176.000 0.004 0.000 1.045 897 Q CA -0.592 55.113 55.803 -0.164 0.000 0.811 897 Q CB 2.834 31.464 28.738 -0.180 0.000 1.305 897 Q HN 0.838 nan 8.270 nan 0.000 0.447 898 W N 0.000 121.212 121.300 -0.147 0.000 2.388 898 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 898 W CA 0.000 57.227 57.345 -0.197 0.000 1.226 898 W CB 0.000 29.343 29.460 -0.195 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535