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 1r27_1_C DATA FIRST_RESID 29 DATA SEQUENCE RDWEDGYRQR WQHDKIVRST HGVNCTGSCS WKIYVKNGLV TWETQQTDYP DATA SEQUENCE RTRPDLPNHE PRGCPRGASY SWYLYSANRL KYPMMRKRLM KMWREAKALH DATA SEQUENCE SDPVEAWASI IEDADKAKSF KQARGRGGFV RSSWQEVNEL IAASNVYTIK DATA SEQUENCE NYGPDRVAGF SPIPAMSMVS YASGARYLSL IGGTCLSFYD WYCDLPPASP DATA SEQUENCE QTWGEQTDVP ESADWYNSSY IIAWGSNVPQ TRTPDAHFFT EVRYKGTKTV DATA SEQUENCE AVTPDYAEIA KLCDLWLAPK QGTDAAMALA MGHVMLREFH LDNPSQYFTD DATA SEQUENCE YVRRYTDMPM LVMLEERDGY YAAGRMLRAA DLVDALGQEN NPEWKTVAFN DATA SEQUENCE TNGEMVAPNG SIGFRWGEKG KWNLEQRDGK TGEETELQLS LLGSQDEIAE DATA SEQUENCE VGFPYFGGDG TEHFNKVELE NVLLHKLPVK RLQLADGSTA LVTTVYDLTL DATA SEQUENCE ANYGLERGLN DVNCATSYDD VKAYTPAWAE QITGVSRSQI IRIAREFADN DATA SEQUENCE ADKTHGRSMI IVGAGLNHWY HLDMNYRGLI NMLIFCGCVG QSGGGWAHYV DATA SEQUENCE GQEKLRPQTG WQPLAFALDW QRPARHMNST SYFYNHSSQW RYETVTAEEL DATA SEQUENCE LSPMADKSRY TGHLIDFNVR AERMGWLPSA PQLGTNPLTI AGEAEKAGMN DATA SEQUENCE PVDYTVKSLK EGSIRFAAEQ PENGKNHPRN LFIWRSNLLG SSGKGHEFML DATA SEQUENCE KYLLGTEHGI QGKDLGQQGG VKPEEVDWQD NGLEGKLDLV VTLDFRLSST DATA SEQUENCE CLYSDIILPT ATWYEKDDMN TSDMHPFIHP LSAAVDPAWE AKSDWEIYKA DATA SEQUENCE IAKKFSEVCV GHLGKETDIV TLPIQHDSAA ELAQPLDVKD WKKGECDLIP DATA SEQUENCE GKTAPHIMVV ERDYPATYER FTSIGPLMEK IGNGGKGIAW NTQSEMDLLR DATA SEQUENCE KLNYTKAEGP AKGQPMLNTA IDAAEMILTL APETNGQVAV KAWAALSEFT DATA SEQUENCE GRDHTHLALN KEDEKIRFRD IQAQPRKIIS SPTWSGLEDE HVSYNAGYTN DATA SEQUENCE VHELIPWRTL SGRQQLYQDH QWMRDFGESL LVYRPPIDTR SVKEVIGQKS DATA SEQUENCE NGNQEKALNF LTPHQKWGIH STYSDNLLML TLGRGGPVVW LSEADAKDLG DATA SEQUENCE IADNDWIEVF NSNGALTARA VVSQRVPAGM TMMYHAQERI VNLPGSEITQ DATA SEQUENCE QRGGIHNSVT RITPKPTHMI GGYAHLAYGF NYYGTVGSNR DEFVVVRKMK DATA SEQUENCE NIDWLDGEGN DQVQESVK 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 29 R HA 0.000 nan 4.340 nan 0.000 0.208 29 R C 0.000 176.310 176.300 0.016 0.000 0.893 29 R CA 0.000 56.188 56.100 0.147 0.000 0.921 29 R CB 0.000 30.475 30.300 0.292 0.000 0.687 30 D N 1.350 121.785 120.400 0.058 0.000 2.123 30 D HA -0.192 4.449 4.640 0.001 0.000 0.196 30 D C 1.736 178.001 176.300 -0.058 0.000 0.992 30 D CA 1.715 55.715 54.000 -0.000 0.000 0.833 30 D CB -0.135 40.693 40.800 0.046 0.000 0.954 30 D HN 0.571 nan 8.370 nan 0.000 0.455 31 W N 2.414 123.721 121.300 0.011 0.000 2.321 31 W HA -0.203 4.457 4.660 0.001 0.000 0.285 31 W C 1.129 177.656 176.519 0.014 0.000 1.213 31 W CA 0.889 58.236 57.345 0.002 0.000 1.205 31 W CB -0.817 28.645 29.460 0.004 0.000 1.134 31 W HN 0.071 nan 8.180 nan 0.000 0.549 32 E N 0.699 120.072 120.200 -1.378 0.000 2.265 32 E HA -0.192 4.159 4.350 0.001 0.000 0.196 32 E C 1.531 177.824 176.600 -0.511 0.000 0.996 32 E CA 1.429 57.070 56.400 -1.266 0.000 0.832 32 E CB -0.311 28.877 29.700 -0.854 0.000 0.756 32 E HN 0.217 nan 8.360 nan 0.000 0.491 33 D N 0.228 120.446 120.400 -0.304 0.000 2.263 33 D HA -0.094 4.546 4.640 0.001 0.000 0.208 33 D C 1.915 178.163 176.300 -0.087 0.000 0.971 33 D CA 0.893 54.811 54.000 -0.135 0.000 0.867 33 D CB -0.373 40.380 40.800 -0.078 0.000 0.929 33 D HN 0.277 nan 8.370 nan 0.000 0.492 34 G N 0.200 108.921 108.800 -0.132 0.000 2.459 34 G HA2 -0.297 3.663 3.960 0.001 0.000 0.217 34 G HA3 -0.297 3.663 3.960 0.001 0.000 0.217 34 G C 1.341 176.182 174.900 -0.098 0.000 1.183 34 G CA 0.542 45.567 45.100 -0.125 0.000 0.776 34 G HN 0.262 nan 8.290 nan 0.000 0.552 35 Y N 0.945 121.236 120.300 -0.014 0.000 2.293 35 Y HA 0.034 4.584 4.550 0.001 0.000 0.291 35 Y C 3.051 178.982 175.900 0.052 0.000 1.137 35 Y CA 1.005 59.117 58.100 0.019 0.000 1.202 35 Y CB -0.187 38.263 38.460 -0.018 0.000 0.990 35 Y HN 0.079 nan 8.280 nan 0.000 0.537 36 R N -0.231 120.361 120.500 0.154 0.000 2.081 36 R HA -0.227 4.114 4.340 0.001 0.000 0.235 36 R C 2.181 178.599 176.300 0.197 0.000 1.131 36 R CA 1.623 57.815 56.100 0.153 0.000 0.960 36 R CB -0.432 29.905 30.300 0.063 0.000 0.856 36 R HN 0.400 nan 8.270 nan 0.000 0.436 37 Q N 0.429 120.307 119.800 0.130 0.000 2.124 37 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 37 Q C 2.120 178.225 176.000 0.175 0.000 0.977 37 Q CA 1.465 57.339 55.803 0.119 0.000 0.850 37 Q CB 0.032 28.808 28.738 0.062 0.000 0.901 37 Q HN 0.008 nan 8.270 nan 0.000 0.429 38 R N 0.032 120.656 120.500 0.205 0.000 2.081 38 R HA -0.176 4.165 4.340 0.001 0.000 0.235 38 R C 1.814 178.344 176.300 0.383 0.000 1.131 38 R CA 1.896 58.148 56.100 0.255 0.000 0.960 38 R CB -1.088 29.352 30.300 0.233 0.000 0.856 38 R HN 0.584 nan 8.270 nan 0.000 0.436 39 W N 1.918 123.355 121.300 0.229 0.000 2.388 39 W HA -0.088 4.572 4.660 0.001 0.000 0.294 39 W C -0.260 176.588 176.519 0.549 0.000 1.212 39 W CA 0.747 58.293 57.345 0.336 0.000 1.271 39 W CB -0.142 29.428 29.460 0.184 0.000 1.126 39 W HN 0.231 nan 8.180 nan 0.000 0.535 40 Q N 1.094 121.058 119.800 0.274 0.000 2.349 40 Q HA -0.059 4.281 4.340 0.001 0.000 0.287 40 Q C -0.020 176.002 176.000 0.037 0.000 1.044 40 Q CA 0.943 56.789 55.803 0.071 0.000 0.918 40 Q CB 0.400 29.178 28.738 0.066 0.000 1.242 40 Q HN 0.272 nan 8.270 nan 0.000 0.405 41 H N -0.354 118.658 119.070 -0.096 0.000 2.942 41 H HA 0.276 4.833 4.556 0.001 0.000 0.316 41 H C -0.614 174.654 175.328 -0.101 0.000 1.323 41 H CA -0.934 55.032 56.048 -0.138 0.000 1.144 41 H CB 0.922 30.539 29.762 -0.241 0.000 1.866 41 H HN 0.475 nan 8.280 nan 0.000 0.545 42 D N -0.294 120.094 120.400 -0.019 0.000 2.262 42 D HA 0.052 4.693 4.640 0.001 0.000 0.212 42 D C 0.407 176.687 176.300 -0.033 0.000 0.964 42 D CA 1.090 55.058 54.000 -0.053 0.000 0.875 42 D CB 1.084 41.857 40.800 -0.045 0.000 0.996 42 D HN 0.580 nan 8.370 nan 0.000 0.497 43 K N -0.744 119.667 120.400 0.018 0.000 2.658 43 K HA 0.498 4.818 4.320 0.001 0.000 0.293 43 K C -1.718 174.819 176.600 -0.105 0.000 1.026 43 K CA -0.713 55.563 56.287 -0.018 0.000 0.871 43 K CB 1.046 33.513 32.500 -0.055 0.000 1.524 43 K HN -0.201 nan 8.250 nan 0.000 0.400 44 I N 1.655 122.118 120.570 -0.178 0.000 2.498 44 I HA 0.451 4.622 4.170 0.001 0.000 0.290 44 I C -0.991 174.988 176.117 -0.231 0.000 1.032 44 I CA -1.303 59.786 61.300 -0.351 0.000 1.073 44 I CB 2.210 39.926 38.000 -0.473 0.000 1.251 44 I HN 0.351 nan 8.210 nan 0.000 0.426 45 V N 5.626 125.404 119.914 -0.227 0.000 2.769 45 V HA 0.477 4.598 4.120 0.001 0.000 0.312 45 V C -0.092 175.919 176.094 -0.138 0.000 1.061 45 V CA -0.819 61.394 62.300 -0.144 0.000 0.931 45 V CB 2.410 34.175 31.823 -0.097 0.000 1.010 45 V HN 0.684 nan 8.190 nan 0.000 0.433 46 R N 2.050 122.491 120.500 -0.098 0.000 2.297 46 R HA 0.685 5.026 4.340 0.001 0.000 0.308 46 R C -0.412 175.882 176.300 -0.009 0.000 1.029 46 R CA 0.200 56.255 56.100 -0.075 0.000 0.929 46 R CB 1.198 31.435 30.300 -0.106 0.000 1.046 46 R HN 0.828 nan 8.270 nan 0.000 0.461 47 S N 1.558 117.290 115.700 0.053 0.000 2.643 47 S HA 0.488 4.958 4.470 0.001 0.000 0.270 47 S C -1.276 173.451 174.600 0.212 0.000 1.166 47 S CA -0.485 57.803 58.200 0.147 0.000 0.815 47 S CB 2.062 65.394 63.200 0.220 0.000 1.139 47 S HN 0.696 nan 8.310 nan 0.000 0.472 48 T N -0.361 114.317 114.554 0.206 0.000 2.626 48 T HA 0.601 4.952 4.350 0.001 0.000 0.279 48 T C -1.807 172.886 174.700 -0.013 0.000 0.983 48 T CA -0.406 61.754 62.100 0.100 0.000 1.059 48 T CB 0.884 69.835 68.868 0.139 0.000 1.396 48 T HN 0.704 nan 8.240 nan 0.000 0.519 49 H N -0.795 118.191 119.070 -0.139 0.000 2.505 49 H HA 0.484 5.040 4.556 0.001 0.000 0.338 49 H C 0.554 175.147 175.328 -1.225 0.000 1.057 49 H CA -0.950 54.576 56.048 -0.871 0.000 1.202 49 H CB 1.460 30.835 29.762 -0.645 0.000 1.466 49 H HN 0.722 nan 8.280 nan 0.000 0.499 50 G N 3.120 110.676 108.800 -2.073 0.000 3.717 50 G HA2 0.279 4.240 3.960 0.001 0.000 0.258 50 G HA3 0.279 4.240 3.960 0.001 0.000 0.258 50 G C -0.518 174.016 174.900 -0.609 0.000 1.088 50 G CA 0.040 44.530 45.100 -1.017 0.000 1.737 50 G HN 0.394 nan 8.290 nan 0.000 0.648 51 V N 0.570 120.171 119.914 -0.521 0.000 2.864 51 V HA 0.500 4.621 4.120 0.001 0.000 0.314 51 V C -0.509 175.621 176.094 0.060 0.000 1.073 51 V CA -1.340 60.938 62.300 -0.037 0.000 0.956 51 V CB 2.244 34.138 31.823 0.118 0.000 1.023 51 V HN 0.298 nan 8.190 nan 0.000 0.435 52 N N 3.420 122.240 118.700 0.200 0.000 2.895 52 N HA 0.157 4.898 4.740 0.001 0.000 0.277 52 N C 0.468 176.154 175.510 0.293 0.000 1.185 52 N CA 0.465 53.655 53.050 0.233 0.000 1.106 52 N CB -0.249 38.392 38.487 0.256 0.000 1.422 52 N HN 0.809 nan 8.380 nan 0.000 0.521 53 C N -0.803 118.603 119.300 0.176 0.000 3.270 53 C HA 0.389 4.849 4.460 0.001 0.000 0.369 53 C C 1.394 176.443 174.990 0.099 0.000 1.326 53 C CA 0.555 59.660 59.018 0.144 0.000 1.846 53 C CB -0.684 27.148 27.740 0.153 0.000 2.534 53 C HN 0.667 nan 8.230 nan 0.000 0.649 54 T N -2.149 112.446 114.554 0.068 0.000 6.424 54 T HA -0.200 4.151 4.350 0.001 0.000 0.279 54 T C 1.363 176.059 174.700 -0.008 0.000 2.176 54 T CA 1.782 63.886 62.100 0.007 0.000 3.628 54 T CB -2.512 66.358 68.868 0.003 0.000 1.165 54 T HN 1.325 nan 8.240 nan 0.000 1.080 55 G N 1.408 110.246 108.800 0.063 0.000 2.459 55 G HA2 0.104 4.065 3.960 0.001 0.000 0.217 55 G HA3 0.104 4.065 3.960 0.001 0.000 0.217 55 G C 0.808 175.804 174.900 0.161 0.000 1.183 55 G CA 1.358 46.526 45.100 0.113 0.000 0.776 55 G HN 2.005 nan 8.290 nan 0.000 0.552 56 S N -1.589 114.218 115.700 0.179 0.000 3.524 56 S HA -0.199 4.271 4.470 0.001 0.000 0.377 56 S C 0.237 175.140 174.600 0.505 0.000 0.949 56 S CA 0.299 58.693 58.200 0.323 0.000 1.264 56 S CB -2.016 61.324 63.200 0.233 0.000 0.918 56 S HN 0.643 nan 8.310 nan 0.000 0.517 57 C N 2.784 122.307 119.300 0.372 0.000 2.341 57 C HA 0.740 5.201 4.460 0.001 0.000 0.338 57 C C 0.911 176.030 174.990 0.214 0.000 1.257 57 C CA -0.692 58.475 59.018 0.248 0.000 1.883 57 C CB 1.034 28.903 27.740 0.215 0.000 2.334 57 C HN 0.789 nan 8.230 nan 0.000 0.524 58 S N 1.346 117.021 115.700 -0.043 0.000 2.499 58 S HA 0.599 5.069 4.470 0.001 0.000 0.279 58 S C -1.152 173.333 174.600 -0.191 0.000 1.219 58 S CA -0.279 57.862 58.200 -0.098 0.000 1.062 58 S CB 0.258 63.191 63.200 -0.445 0.000 0.978 58 S HN 0.657 nan 8.310 nan 0.000 0.489 59 W N 2.749 123.995 121.300 -0.089 0.000 2.799 59 W HA 0.512 5.173 4.660 0.001 0.000 0.349 59 W C -0.327 176.140 176.519 -0.087 0.000 1.100 59 W CA -0.902 56.419 57.345 -0.040 0.000 1.174 59 W CB 1.184 30.667 29.460 0.038 0.000 1.427 59 W HN 0.394 nan 8.180 nan 0.000 0.547 60 K N 2.677 123.205 120.400 0.213 0.000 2.253 60 K HA 0.364 4.685 4.320 0.001 0.000 0.277 60 K C -0.721 175.862 176.600 -0.028 0.000 1.053 60 K CA -0.617 55.655 56.287 -0.025 0.000 0.892 60 K CB 0.729 33.167 32.500 -0.102 0.000 1.102 60 K HN 0.110 nan 8.250 nan 0.000 0.469 61 I N 4.472 124.915 120.570 -0.211 0.000 2.304 61 I HA 0.158 4.329 4.170 0.001 0.000 0.291 61 I C -0.175 175.730 176.117 -0.354 0.000 1.018 61 I CA -0.701 60.438 61.300 -0.269 0.000 1.260 61 I CB -0.131 37.607 38.000 -0.437 0.000 1.390 61 I HN 0.464 nan 8.210 nan 0.000 0.475 62 Y N 5.095 125.106 120.300 -0.481 0.000 2.336 62 Y HA 0.383 4.934 4.550 0.001 0.000 0.335 62 Y C 0.491 176.068 175.900 -0.539 0.000 1.046 62 Y CA -0.558 57.121 58.100 -0.702 0.000 1.198 62 Y CB 1.300 38.900 38.460 -1.435 0.000 1.182 62 Y HN 0.240 nan 8.280 nan 0.000 0.502 63 V N 4.657 124.423 119.914 -0.246 0.000 2.459 63 V HA 0.442 4.562 4.120 0.001 0.000 0.295 63 V C -0.476 175.541 176.094 -0.128 0.000 1.029 63 V CA -1.182 61.026 62.300 -0.154 0.000 0.874 63 V CB 1.701 33.465 31.823 -0.098 0.000 0.985 63 V HN 0.654 nan 8.190 nan 0.000 0.438 64 K N 3.405 123.735 120.400 -0.116 0.000 2.565 64 K HA 0.430 4.751 4.320 0.001 0.000 0.249 64 K C 0.049 176.612 176.600 -0.062 0.000 0.958 64 K CA -0.526 55.714 56.287 -0.079 0.000 0.806 64 K CB 0.840 33.285 32.500 -0.091 0.000 1.194 64 K HN 0.769 nan 8.250 nan 0.000 0.434 65 N N 2.879 121.548 118.700 -0.051 0.000 2.735 65 N HA -0.239 4.501 4.740 0.001 0.000 0.248 65 N C 0.399 175.866 175.510 -0.072 0.000 1.083 65 N CA 0.694 53.711 53.050 -0.054 0.000 0.703 65 N CB -0.821 37.636 38.487 -0.050 0.000 1.005 65 N HN 1.057 nan 8.380 nan 0.000 0.550 66 G N -1.464 107.297 108.800 -0.065 0.000 2.184 66 G HA2 -0.315 3.645 3.960 0.001 0.000 0.264 66 G HA3 -0.315 3.645 3.960 0.001 0.000 0.264 66 G C -0.033 174.825 174.900 -0.070 0.000 0.975 66 G CA 0.744 45.804 45.100 -0.067 0.000 0.642 66 G HN 0.388 nan 8.290 nan 0.000 0.536 67 L N -0.040 121.137 121.223 -0.076 0.000 2.354 67 L HA 0.686 5.026 4.340 0.001 0.000 0.269 67 L C 0.558 177.451 176.870 0.039 0.000 1.005 67 L CA -1.489 53.324 54.840 -0.045 0.000 0.819 67 L CB 2.246 44.166 42.059 -0.231 0.000 1.311 67 L HN -0.106 nan 8.230 nan 0.000 0.423 68 V N 0.958 120.993 119.914 0.201 0.000 2.508 68 V HA 0.079 4.200 4.120 0.001 0.000 0.281 68 V C 1.120 177.302 176.094 0.147 0.000 1.041 68 V CA 0.661 63.036 62.300 0.125 0.000 1.016 68 V CB 1.101 33.033 31.823 0.182 0.000 0.984 68 V HN 1.068 nan 8.190 nan 0.000 0.478 69 T N 0.530 115.066 114.554 -0.031 0.000 3.018 69 T HA 0.202 4.552 4.350 0.001 0.000 0.246 69 T C 0.054 174.906 174.700 0.253 0.000 1.026 69 T CA 0.280 62.413 62.100 0.055 0.000 1.081 69 T CB 0.348 69.156 68.868 -0.100 0.000 0.970 69 T HN 0.821 nan 8.240 nan 0.000 0.475 70 W N 0.941 122.299 121.300 0.097 0.000 2.882 70 W HA 0.671 5.332 4.660 0.001 0.000 0.382 70 W C -2.257 174.371 176.519 0.182 0.000 1.143 70 W CA -0.893 56.511 57.345 0.098 0.000 1.155 70 W CB 0.359 29.817 29.460 -0.004 0.000 1.466 70 W HN 0.178 nan 8.180 nan 0.000 0.570 71 E N 1.065 121.629 120.200 0.607 0.000 2.383 71 E HA 0.647 4.998 4.350 0.001 0.000 0.275 71 E C -1.157 175.972 176.600 0.881 0.000 0.918 71 E CA -0.741 56.054 56.400 0.659 0.000 0.764 71 E CB 2.160 32.114 29.700 0.423 0.000 1.252 71 E HN 0.741 nan 8.360 nan 0.000 0.449 72 T N -0.793 114.339 114.554 0.963 0.000 2.903 72 T HA 0.465 4.815 4.350 0.001 0.000 0.299 72 T C -0.321 174.601 174.700 0.369 0.000 1.093 72 T CA -0.903 61.622 62.100 0.708 0.000 1.002 72 T CB 1.492 70.702 68.868 0.571 0.000 1.127 72 T HN 0.336 nan 8.240 nan 0.000 0.488 73 Q N 1.642 121.304 119.800 -0.230 0.000 2.392 73 Q HA 0.293 4.633 4.340 0.001 0.000 0.262 73 Q C 0.243 176.078 176.000 -0.275 0.000 1.003 73 Q CA -0.209 55.213 55.803 -0.636 0.000 0.888 73 Q CB 0.419 28.729 28.738 -0.713 0.000 1.260 73 Q HN 0.458 nan 8.270 nan 0.000 0.435 74 Q N 0.679 120.278 119.800 -0.335 0.000 2.340 74 Q HA 0.135 4.476 4.340 0.001 0.000 0.249 74 Q C 0.355 176.185 176.000 -0.283 0.000 0.957 74 Q CA 0.358 55.983 55.803 -0.297 0.000 0.882 74 Q CB 1.261 29.742 28.738 -0.429 0.000 1.235 74 Q HN 0.890 nan 8.270 nan 0.000 0.439 75 T N -3.094 111.328 114.554 -0.220 0.000 3.091 75 T HA 0.012 4.363 4.350 0.001 0.000 0.277 75 T C 0.275 174.891 174.700 -0.140 0.000 0.996 75 T CA -0.243 61.784 62.100 -0.123 0.000 0.897 75 T CB 0.113 68.931 68.868 -0.083 0.000 1.109 75 T HN 0.514 nan 8.240 nan 0.000 0.534 76 D N 0.712 120.940 120.400 -0.286 0.000 2.434 76 D HA 0.042 4.682 4.640 0.001 0.000 0.232 76 D C -0.287 175.801 176.300 -0.353 0.000 1.166 76 D CA -0.670 53.169 54.000 -0.269 0.000 0.830 76 D CB -0.906 39.743 40.800 -0.252 0.000 0.960 76 D HN 0.424 nan 8.370 nan 0.000 0.497 77 Y N 0.722 120.790 120.300 -0.385 0.000 2.480 77 Y HA 0.231 4.781 4.550 0.001 0.000 0.338 77 Y C -1.581 174.068 175.900 -0.418 0.000 1.220 77 Y CA -1.804 55.920 58.100 -0.625 0.000 1.430 77 Y CB -0.109 37.879 38.460 -0.787 0.000 1.311 77 Y HN -0.087 nan 8.280 nan 0.000 0.575 78 P HA 0.072 nan 4.420 nan 0.000 0.264 78 P C -0.655 176.701 177.300 0.093 0.000 1.193 78 P CA 0.036 63.116 63.100 -0.034 0.000 0.763 78 P CB 0.479 32.223 31.700 0.073 0.000 0.810 79 R N 1.144 121.686 120.500 0.069 0.000 2.641 79 R HA 0.299 4.640 4.340 0.001 0.000 0.269 79 R C 1.076 177.447 176.300 0.119 0.000 1.074 79 R CA -0.067 56.088 56.100 0.091 0.000 1.133 79 R CB 0.077 30.396 30.300 0.031 0.000 1.029 79 R HN 0.491 nan 8.270 nan 0.000 0.488 80 T N -0.468 114.156 114.554 0.117 0.000 2.770 80 T HA 0.258 4.609 4.350 0.001 0.000 0.281 80 T C 0.370 175.081 174.700 0.019 0.000 0.981 80 T CA -0.959 61.186 62.100 0.076 0.000 0.955 80 T CB 0.575 69.468 68.868 0.040 0.000 1.060 80 T HN 0.423 nan 8.240 nan 0.000 0.531 81 R N 1.101 121.598 120.500 -0.004 0.000 2.740 81 R HA 0.055 4.395 4.340 0.001 0.000 0.263 81 R C -1.710 174.586 176.300 -0.006 0.000 0.997 81 R CA -0.942 55.152 56.100 -0.009 0.000 1.108 81 R CB -0.560 29.737 30.300 -0.006 0.000 0.969 81 R HN 0.497 nan 8.270 nan 0.000 0.431 82 P HA -0.188 nan 4.420 nan 0.000 0.219 82 P C 0.465 177.768 177.300 0.005 0.000 1.146 82 P CA 1.386 64.487 63.100 0.002 0.000 0.808 82 P CB 0.046 31.752 31.700 0.010 0.000 0.779 83 D N -1.563 118.849 120.400 0.020 0.000 2.340 83 D HA -0.009 4.631 4.640 0.001 0.000 0.220 83 D C 0.304 176.622 176.300 0.029 0.000 1.039 83 D CA 0.350 54.380 54.000 0.050 0.000 0.866 83 D CB -0.036 40.812 40.800 0.079 0.000 0.913 83 D HN 0.199 nan 8.370 nan 0.000 0.523 84 L N 0.102 121.285 121.223 -0.067 0.000 2.341 84 L HA 0.458 4.798 4.340 0.001 0.000 0.267 84 L C -2.504 174.216 176.870 -0.250 0.000 1.009 84 L CA -2.356 52.342 54.840 -0.236 0.000 0.819 84 L CB 2.365 44.345 42.059 -0.131 0.000 1.323 84 L HN -0.332 nan 8.230 nan 0.000 0.425 85 P HA 0.141 nan 4.420 nan 0.000 0.272 85 P C -1.109 176.142 177.300 -0.082 0.000 1.230 85 P CA -0.434 62.542 63.100 -0.207 0.000 0.788 85 P CB 0.467 32.016 31.700 -0.251 0.000 0.949 86 N N 0.542 119.176 118.700 -0.109 0.000 2.434 86 N HA 0.095 4.836 4.740 0.001 0.000 0.266 86 N C 1.068 176.481 175.510 -0.161 0.000 1.223 86 N CA -0.184 52.821 53.050 -0.076 0.000 0.972 86 N CB 0.059 38.518 38.487 -0.046 0.000 1.207 86 N HN 0.469 nan 8.380 nan 0.000 0.525 87 H N -0.647 118.396 119.070 -0.045 0.000 2.436 87 H HA -0.045 4.511 4.556 0.001 0.000 0.294 87 H C -0.034 175.068 175.328 -0.377 0.000 1.048 87 H CA 0.558 56.497 56.048 -0.181 0.000 1.353 87 H CB 0.015 29.578 29.762 -0.332 0.000 1.414 87 H HN 0.631 nan 8.280 nan 0.000 0.536 88 E N 2.361 122.458 120.200 -0.172 0.000 2.437 88 E HA -0.032 4.318 4.350 0.001 0.000 0.263 88 E C -1.699 174.736 176.600 -0.275 0.000 1.030 88 E CA -0.978 55.337 56.400 -0.142 0.000 0.934 88 E CB 0.258 29.938 29.700 -0.034 0.000 0.943 88 E HN 0.198 nan 8.360 nan 0.000 0.444 89 P HA 0.092 nan 4.420 nan 0.000 0.257 89 P C -0.415 176.780 177.300 -0.175 0.000 1.241 89 P CA -0.123 62.880 63.100 -0.162 0.000 0.816 89 P CB 0.422 32.020 31.700 -0.171 0.000 1.150 90 R N -1.414 118.971 120.500 -0.191 0.000 3.906 90 R HA -0.074 4.267 4.340 0.001 0.000 0.449 90 R C 0.645 176.877 176.300 -0.113 0.000 0.241 90 R CA 1.251 57.277 56.100 -0.123 0.000 1.420 90 R CB -2.135 28.098 30.300 -0.112 0.000 1.053 90 R HN 0.474 nan 8.270 nan 0.000 0.539 91 G N -1.262 107.532 108.800 -0.010 0.000 2.710 91 G HA2 0.125 4.085 3.960 0.001 0.000 0.668 91 G HA3 0.125 4.085 3.960 0.001 0.000 0.668 91 G C -0.348 174.701 174.900 0.247 0.000 1.320 91 G CA -0.091 45.110 45.100 0.168 0.000 0.860 91 G HN 1.766 nan 8.290 nan 0.000 0.538 92 C N -2.436 117.093 119.300 0.381 0.000 3.275 92 C HA 0.832 5.293 4.460 0.001 0.000 0.340 92 C C -1.237 173.882 174.990 0.215 0.000 1.366 92 C CA -0.013 59.133 59.018 0.214 0.000 1.227 92 C CB 1.172 28.995 27.740 0.138 0.000 1.512 92 C HN 0.944 nan 8.230 nan 0.000 0.461 93 P HA -0.109 nan 4.420 nan 0.000 0.216 93 P C 1.218 178.508 177.300 -0.017 0.000 1.150 93 P CA 1.758 64.910 63.100 0.086 0.000 0.837 93 P CB 0.104 31.856 31.700 0.087 0.000 0.786 94 R N 0.351 120.749 120.500 -0.170 0.000 2.070 94 R HA -0.023 4.317 4.340 0.001 0.000 0.232 94 R C 2.898 178.815 176.300 -0.638 0.000 1.138 94 R CA 1.824 57.552 56.100 -0.619 0.000 0.936 94 R CB -2.003 27.761 30.300 -0.894 0.000 0.839 94 R HN 0.227 nan 8.270 nan 0.000 0.429 95 G N 0.643 109.306 108.800 -0.229 0.000 2.469 95 G HA2 -0.295 3.666 3.960 0.001 0.000 0.220 95 G HA3 -0.295 3.666 3.960 0.001 0.000 0.220 95 G C 1.547 176.359 174.900 -0.146 0.000 1.136 95 G CA 0.927 46.016 45.100 -0.019 0.000 0.759 95 G HN 0.450 nan 8.290 nan 0.000 0.562 96 A N 0.775 123.594 122.820 -0.002 0.000 2.125 96 A HA 0.071 4.392 4.320 0.001 0.000 0.219 96 A C 2.505 180.135 177.584 0.076 0.000 1.156 96 A CA 2.228 54.290 52.037 0.041 0.000 0.671 96 A CB -0.360 18.806 19.000 0.278 0.000 0.794 96 A HN 0.815 nan 8.150 nan 0.000 0.459 97 S N -2.638 113.098 115.700 0.061 0.000 2.540 97 S HA 0.048 4.518 4.470 0.001 0.000 0.218 97 S C 1.457 176.194 174.600 0.228 0.000 0.977 97 S CA 0.248 58.516 58.200 0.113 0.000 0.918 97 S CB -0.618 62.591 63.200 0.015 0.000 0.806 97 S HN 0.472 nan 8.310 nan 0.000 0.496 98 Y N 4.040 124.431 120.300 0.152 0.000 2.151 98 Y HA -0.229 4.322 4.550 0.001 0.000 0.284 98 Y C 2.577 178.533 175.900 0.094 0.000 1.166 98 Y CA 1.623 59.825 58.100 0.171 0.000 1.163 98 Y CB -0.842 37.561 38.460 -0.095 0.000 0.974 98 Y HN 0.523 nan 8.280 nan 0.000 0.511 99 S N -1.163 114.638 115.700 0.168 0.000 2.423 99 S HA -0.338 4.132 4.470 0.001 0.000 0.238 99 S C 1.831 176.423 174.600 -0.013 0.000 1.028 99 S CA 1.328 59.601 58.200 0.122 0.000 1.000 99 S CB -1.655 61.729 63.200 0.306 0.000 0.797 99 S HN 0.731 nan 8.310 nan 0.000 0.487 100 W N 1.483 122.699 121.300 -0.140 0.000 2.342 100 W HA -0.168 4.493 4.660 0.001 0.000 0.297 100 W C 1.676 178.048 176.519 -0.246 0.000 1.213 100 W CA 1.359 58.605 57.345 -0.166 0.000 1.251 100 W CB -0.466 28.869 29.460 -0.208 0.000 1.136 100 W HN 0.287 nan 8.180 nan 0.000 0.526 101 Y N -0.020 120.156 120.300 -0.208 0.000 2.293 101 Y HA -0.205 4.345 4.550 0.001 0.000 0.291 101 Y C 2.262 177.788 175.900 -0.622 0.000 1.137 101 Y CA 1.431 59.265 58.100 -0.444 0.000 1.202 101 Y CB -1.255 36.829 38.460 -0.628 0.000 0.990 101 Y HN -0.126 nan 8.280 nan 0.000 0.537 102 L N -1.527 119.337 121.223 -0.599 0.000 2.021 102 L HA -0.268 4.072 4.340 0.001 0.000 0.215 102 L C 0.969 177.382 176.870 -0.761 0.000 1.074 102 L CA 1.976 56.325 54.840 -0.819 0.000 0.760 102 L CB -0.933 40.420 42.059 -1.178 0.000 0.889 102 L HN 0.254 nan 8.230 nan 0.000 0.433 103 Y N -2.198 118.046 120.300 -0.094 0.000 2.716 103 Y HA 0.361 4.912 4.550 0.001 0.000 0.260 103 Y C 1.080 176.854 175.900 -0.209 0.000 1.141 103 Y CA -0.898 57.214 58.100 0.019 0.000 1.168 103 Y CB -0.777 37.719 38.460 0.060 0.000 1.189 103 Y HN -0.013 nan 8.280 nan 0.000 0.549 104 S N 0.066 115.522 115.700 -0.406 0.000 2.608 104 S HA 0.467 4.938 4.470 0.001 0.000 0.261 104 S C 1.585 175.962 174.600 -0.371 0.000 1.314 104 S CA -0.110 57.672 58.200 -0.697 0.000 0.992 104 S CB 1.538 63.843 63.200 -1.492 0.000 0.935 104 S HN 0.361 nan 8.310 nan 0.000 0.564 105 A N 0.516 123.165 122.820 -0.285 0.000 2.172 105 A HA -0.012 4.308 4.320 0.001 0.000 0.216 105 A C 1.809 179.338 177.584 -0.092 0.000 1.154 105 A CA 1.235 53.194 52.037 -0.130 0.000 0.701 105 A CB -1.116 17.866 19.000 -0.029 0.000 0.789 105 A HN 0.944 nan 8.150 nan 0.000 0.465 106 N N -1.037 117.622 118.700 -0.067 0.000 2.203 106 N HA 0.055 4.796 4.740 0.001 0.000 0.207 106 N C 0.337 175.825 175.510 -0.036 0.000 1.130 106 N CA -0.315 52.743 53.050 0.013 0.000 0.861 106 N CB 0.137 38.730 38.487 0.177 0.000 1.005 106 N HN 0.321 nan 8.380 nan 0.000 0.507 107 R N 1.254 121.677 120.500 -0.128 0.000 2.491 107 R HA 0.172 4.513 4.340 0.001 0.000 0.283 107 R C -0.595 175.571 176.300 -0.223 0.000 1.072 107 R CA 0.105 56.119 56.100 -0.144 0.000 1.048 107 R CB 0.427 30.604 30.300 -0.204 0.000 0.983 107 R HN 0.107 nan 8.270 nan 0.000 0.450 108 L N 5.998 127.124 121.223 -0.162 0.000 2.278 108 L HA 0.240 4.580 4.340 0.001 0.000 0.287 108 L C 0.880 177.595 176.870 -0.259 0.000 1.072 108 L CA 0.012 54.728 54.840 -0.207 0.000 0.819 108 L CB 1.254 43.227 42.059 -0.142 0.000 1.176 108 L HN 0.794 nan 8.230 nan 0.000 0.435 109 K N 2.802 122.911 120.400 -0.486 0.000 2.365 109 K HA 0.180 4.501 4.320 0.001 0.000 0.195 109 K C -0.724 175.472 176.600 -0.674 0.000 1.079 109 K CA 0.408 56.257 56.287 -0.730 0.000 0.979 109 K CB 0.597 32.155 32.500 -1.571 0.000 0.929 109 K HN 0.299 nan 8.250 nan 0.000 0.523 110 Y N -0.018 120.196 120.300 -0.144 0.000 2.581 110 Y HA 0.351 4.902 4.550 0.001 0.000 0.345 110 Y C -2.710 172.993 175.900 -0.329 0.000 1.036 110 Y CA -3.560 54.420 58.100 -0.200 0.000 1.042 110 Y CB 0.515 38.876 38.460 -0.166 0.000 1.289 110 Y HN -0.236 nan 8.280 nan 0.000 0.471 111 P HA 0.178 nan 4.420 nan 0.000 0.268 111 P C -0.714 176.434 177.300 -0.253 0.000 1.204 111 P CA 0.274 63.079 63.100 -0.492 0.000 0.768 111 P CB 0.441 31.665 31.700 -0.794 0.000 0.842 112 M N 3.002 122.468 119.600 -0.225 0.000 2.591 112 M HA 0.587 5.067 4.480 0.001 0.000 0.306 112 M C -0.493 175.781 176.300 -0.044 0.000 1.190 112 M CA -0.506 54.713 55.300 -0.135 0.000 0.889 112 M CB 2.128 34.576 32.600 -0.253 0.000 1.728 112 M HN 0.379 nan 8.290 nan 0.000 0.458 113 M N 0.958 120.620 119.600 0.103 0.000 2.484 113 M HA 0.506 4.987 4.480 0.001 0.000 0.289 113 M C -1.059 175.378 176.300 0.229 0.000 1.206 113 M CA -0.762 54.622 55.300 0.140 0.000 0.892 113 M CB 2.948 35.549 32.600 0.002 0.000 1.712 113 M HN 0.707 nan 8.290 nan 0.000 0.462 114 R N 2.490 123.077 120.500 0.145 0.000 2.522 114 R HA 0.030 4.371 4.340 0.001 0.000 0.284 114 R C 0.934 177.225 176.300 -0.014 0.000 1.032 114 R CA 0.677 56.750 56.100 -0.044 0.000 1.049 114 R CB 0.648 30.905 30.300 -0.071 0.000 0.956 114 R HN 0.707 nan 8.270 nan 0.000 0.422 115 K N 2.724 123.104 120.400 -0.033 0.000 2.020 115 K HA -0.281 4.039 4.320 0.001 0.000 0.212 115 K C 1.727 178.333 176.600 0.009 0.000 1.050 115 K CA 1.894 58.179 56.287 -0.004 0.000 0.929 115 K CB -0.039 32.451 32.500 -0.017 0.000 0.714 115 K HN 0.328 nan 8.250 nan 0.000 0.443 116 R N 0.909 121.415 120.500 0.011 0.000 2.105 116 R HA -0.127 4.214 4.340 0.001 0.000 0.239 116 R C 2.114 178.446 176.300 0.054 0.000 1.135 116 R CA 1.441 57.569 56.100 0.046 0.000 0.967 116 R CB -0.878 29.467 30.300 0.074 0.000 0.861 116 R HN 0.352 nan 8.270 nan 0.000 0.442 117 L N -0.009 121.219 121.223 0.008 0.000 2.056 117 L HA -0.003 4.337 4.340 0.001 0.000 0.207 117 L C 2.256 179.129 176.870 0.006 0.000 1.078 117 L CA 2.040 56.806 54.840 -0.122 0.000 0.749 117 L CB -0.577 41.285 42.059 -0.329 0.000 0.901 117 L HN 0.380 nan 8.230 nan 0.000 0.433 118 M N -0.774 118.847 119.600 0.036 0.000 2.117 118 M HA -0.268 4.213 4.480 0.001 0.000 0.262 118 M C 2.370 178.753 176.300 0.137 0.000 1.065 118 M CA 2.045 57.411 55.300 0.110 0.000 1.114 118 M CB -0.196 32.446 32.600 0.070 0.000 1.361 118 M HN 0.328 nan 8.290 nan 0.000 0.408 119 K N 0.298 120.745 120.400 0.080 0.000 2.009 119 K HA -0.202 4.118 4.320 0.001 0.000 0.210 119 K C 1.844 178.486 176.600 0.069 0.000 1.049 119 K CA 2.169 58.492 56.287 0.060 0.000 0.929 119 K CB -0.200 32.324 32.500 0.039 0.000 0.714 119 K HN 0.396 nan 8.250 nan 0.000 0.440 120 M N -0.356 119.293 119.600 0.083 0.000 2.213 120 M HA -0.187 4.294 4.480 0.001 0.000 0.263 120 M C 2.062 178.437 176.300 0.125 0.000 1.062 120 M CA 1.339 56.688 55.300 0.081 0.000 1.105 120 M CB -0.363 32.285 32.600 0.080 0.000 1.385 120 M HN 0.465 nan 8.290 nan 0.000 0.417 121 W N 1.601 122.890 121.300 -0.018 0.000 2.379 121 W HA -0.167 4.494 4.660 0.001 0.000 0.307 121 W C 1.964 178.495 176.519 0.020 0.000 1.200 121 W CA 1.318 58.669 57.345 0.011 0.000 1.297 121 W CB -0.239 29.227 29.460 0.009 0.000 1.140 121 W HN 0.134 nan 8.180 nan 0.000 0.507 122 R N 0.312 120.801 120.500 -0.019 0.000 2.092 122 R HA -0.133 4.208 4.340 0.001 0.000 0.231 122 R C 2.110 178.324 176.300 -0.142 0.000 1.119 122 R CA 1.701 57.721 56.100 -0.134 0.000 0.970 122 R CB -0.427 29.870 30.300 -0.005 0.000 0.864 122 R HN 0.299 nan 8.270 nan 0.000 0.440 123 E N 0.513 120.669 120.200 -0.075 0.000 2.072 123 E HA -0.134 4.217 4.350 0.001 0.000 0.191 123 E C 2.037 178.589 176.600 -0.080 0.000 0.985 123 E CA 1.050 57.414 56.400 -0.061 0.000 0.801 123 E CB -0.056 29.631 29.700 -0.022 0.000 0.750 123 E HN 0.337 nan 8.360 nan 0.000 0.452 124 A N 1.646 124.408 122.820 -0.096 0.000 1.933 124 A HA -0.191 4.129 4.320 0.001 0.000 0.218 124 A C 1.913 179.441 177.584 -0.093 0.000 1.175 124 A CA 1.293 53.303 52.037 -0.045 0.000 0.628 124 A CB -0.238 18.706 19.000 -0.093 0.000 0.814 124 A HN 0.028 nan 8.150 nan 0.000 0.444 125 K N -0.292 119.903 120.400 -0.341 0.000 2.365 125 K HA 0.066 4.387 4.320 0.001 0.000 0.199 125 K C 1.997 178.492 176.600 -0.175 0.000 1.045 125 K CA 0.693 56.780 56.287 -0.333 0.000 0.962 125 K CB -0.196 31.996 32.500 -0.513 0.000 0.759 125 K HN 0.454 nan 8.250 nan 0.000 0.469 126 A N 0.405 123.137 122.820 -0.147 0.000 2.067 126 A HA -0.070 4.251 4.320 0.001 0.000 0.219 126 A C 1.489 178.995 177.584 -0.130 0.000 1.158 126 A CA 1.141 53.109 52.037 -0.115 0.000 0.661 126 A CB 0.100 19.045 19.000 -0.093 0.000 0.801 126 A HN 0.125 nan 8.150 nan 0.000 0.452 127 L N -0.635 120.481 121.223 -0.178 0.000 3.069 127 L HA 0.298 4.638 4.340 0.001 0.000 0.271 127 L C -0.524 176.016 176.870 -0.550 0.000 1.201 127 L CA 0.304 54.947 54.840 -0.328 0.000 1.015 127 L CB 0.002 41.834 42.059 -0.380 0.000 1.371 127 L HN 0.357 nan 8.230 nan 0.000 0.574 128 H N -1.337 117.676 119.070 -0.096 0.000 3.108 128 H HA 0.265 4.821 4.556 0.001 0.000 0.329 128 H C 0.911 176.190 175.328 -0.081 0.000 0.978 128 H CA 0.341 56.343 56.048 -0.077 0.000 1.413 128 H CB 1.638 31.349 29.762 -0.085 0.000 1.670 128 H HN -0.008 nan 8.280 nan 0.000 0.512 129 S N 0.907 116.636 115.700 0.049 0.000 2.453 129 S HA -0.104 4.366 4.470 0.001 0.000 0.231 129 S C 0.646 175.272 174.600 0.044 0.000 1.005 129 S CA 0.434 58.647 58.200 0.021 0.000 0.949 129 S CB 0.242 63.449 63.200 0.011 0.000 0.774 129 S HN 0.502 nan 8.310 nan 0.000 0.510 130 D N 3.041 123.491 120.400 0.083 0.000 2.313 130 D HA 0.255 4.895 4.640 0.001 0.000 0.239 130 D C -1.512 174.839 176.300 0.086 0.000 1.142 130 D CA -2.284 51.779 54.000 0.105 0.000 0.847 130 D CB 1.856 42.752 40.800 0.160 0.000 1.082 130 D HN 0.078 nan 8.370 nan 0.000 0.480 131 P HA -0.136 nan 4.420 nan 0.000 0.221 131 P C 1.484 178.911 177.300 0.212 0.000 1.145 131 P CA 0.456 63.650 63.100 0.156 0.000 0.795 131 P CB 0.539 32.402 31.700 0.272 0.000 0.775 132 V N 1.132 121.112 119.914 0.109 0.000 2.427 132 V HA -0.165 3.955 4.120 0.001 0.000 0.248 132 V C 2.689 178.827 176.094 0.073 0.000 1.051 132 V CA 1.718 64.048 62.300 0.051 0.000 1.048 132 V CB -1.040 30.592 31.823 -0.320 0.000 0.666 132 V HN 0.108 nan 8.190 nan 0.000 0.456 133 E N 0.786 120.999 120.200 0.022 0.000 2.072 133 E HA -0.136 4.215 4.350 0.001 0.000 0.191 133 E C 2.399 178.766 176.600 -0.389 0.000 0.985 133 E CA 1.416 57.746 56.400 -0.115 0.000 0.801 133 E CB -0.514 29.155 29.700 -0.052 0.000 0.750 133 E HN 0.562 nan 8.360 nan 0.000 0.452 134 A N 1.994 124.640 122.820 -0.289 0.000 1.902 134 A HA -0.180 4.140 4.320 0.001 0.000 0.217 134 A C 2.028 179.585 177.584 -0.045 0.000 1.181 134 A CA 1.281 53.130 52.037 -0.313 0.000 0.623 134 A CB -1.157 17.629 19.000 -0.357 0.000 0.818 134 A HN 0.521 nan 8.150 nan 0.000 0.443 135 W N 0.641 121.949 121.300 0.013 0.000 2.355 135 W HA -0.176 4.485 4.660 0.001 0.000 0.309 135 W C 2.361 178.716 176.519 -0.274 0.000 1.206 135 W CA 1.838 59.198 57.345 0.024 0.000 1.284 135 W CB -0.278 29.182 29.460 0.000 0.000 1.145 135 W HN 0.433 nan 8.180 nan 0.000 0.502 136 A N 1.055 123.628 122.820 -0.412 0.000 1.917 136 A HA -0.317 4.004 4.320 0.001 0.000 0.219 136 A C 2.030 179.387 177.584 -0.379 0.000 1.182 136 A CA 3.061 54.749 52.037 -0.581 0.000 0.633 136 A CB -1.454 17.444 19.000 -0.171 0.000 0.819 136 A HN 0.444 nan 8.150 nan 0.000 0.448 137 S N -0.582 114.934 115.700 -0.306 0.000 2.469 137 S HA -0.052 4.419 4.470 0.001 0.000 0.238 137 S C 1.712 176.203 174.600 -0.183 0.000 0.998 137 S CA 1.401 59.481 58.200 -0.201 0.000 0.957 137 S CB -0.576 62.515 63.200 -0.181 0.000 0.764 137 S HN 0.522 nan 8.310 nan 0.000 0.514 138 I N -0.262 120.135 120.570 -0.288 0.000 2.512 138 I HA 0.139 4.309 4.170 0.001 0.000 0.247 138 I C 2.195 178.114 176.117 -0.329 0.000 1.094 138 I CA 0.368 61.509 61.300 -0.265 0.000 1.427 138 I CB -0.239 37.583 38.000 -0.296 0.000 1.149 138 I HN 0.225 nan 8.210 nan 0.000 0.438 139 I N 1.267 121.463 120.570 -0.623 0.000 2.454 139 I HA -0.236 3.934 4.170 0.001 0.000 0.254 139 I C 2.054 178.051 176.117 -0.199 0.000 1.156 139 I CA 1.695 62.704 61.300 -0.484 0.000 1.433 139 I CB -0.360 37.186 38.000 -0.757 0.000 1.082 139 I HN 0.170 nan 8.210 nan 0.000 0.432 140 E N -0.542 119.554 120.200 -0.173 0.000 2.502 140 E HA -0.083 4.268 4.350 0.001 0.000 0.194 140 E C 0.333 176.914 176.600 -0.030 0.000 1.062 140 E CA 0.044 56.423 56.400 -0.035 0.000 0.867 140 E CB 0.059 29.758 29.700 -0.001 0.000 0.888 140 E HN 0.307 nan 8.360 nan 0.000 0.510 141 D N 0.013 120.376 120.400 -0.062 0.000 2.412 141 D HA 0.163 4.803 4.640 0.001 0.000 0.224 141 D C 0.780 177.057 176.300 -0.038 0.000 1.093 141 D CA -0.143 53.834 54.000 -0.038 0.000 0.850 141 D CB 1.304 42.081 40.800 -0.039 0.000 1.046 141 D HN 0.023 nan 8.370 nan 0.000 0.507 142 A N 4.515 127.319 122.820 -0.026 0.000 1.927 142 A HA -0.236 4.084 4.320 0.001 0.000 0.220 142 A C 1.668 179.225 177.584 -0.045 0.000 1.185 142 A CA 1.525 53.541 52.037 -0.033 0.000 0.639 142 A CB -0.113 18.875 19.000 -0.021 0.000 0.820 142 A HN 0.612 nan 8.150 nan 0.000 0.451 143 D N -0.474 119.906 120.400 -0.032 0.000 2.097 143 D HA -0.105 4.535 4.640 0.001 0.000 0.197 143 D C 1.956 178.240 176.300 -0.027 0.000 0.984 143 D CA 1.406 55.388 54.000 -0.031 0.000 0.826 143 D CB -0.294 40.495 40.800 -0.019 0.000 0.973 143 D HN 0.514 nan 8.370 nan 0.000 0.460 144 K N 0.955 121.347 120.400 -0.013 0.000 2.026 144 K HA -0.082 4.238 4.320 0.001 0.000 0.208 144 K C 2.225 178.848 176.600 0.038 0.000 1.048 144 K CA 1.142 57.444 56.287 0.025 0.000 0.929 144 K CB -0.097 32.415 32.500 0.020 0.000 0.713 144 K HN 0.002 nan 8.250 nan 0.000 0.439 145 A N 2.077 124.870 122.820 -0.045 0.000 1.851 145 A HA -0.249 4.072 4.320 0.001 0.000 0.216 145 A C 2.085 179.435 177.584 -0.389 0.000 1.195 145 A CA 1.855 53.775 52.037 -0.196 0.000 0.622 145 A CB -0.538 18.365 19.000 -0.163 0.000 0.831 145 A HN 0.238 nan 8.150 nan 0.000 0.444 146 K N -0.272 119.996 120.400 -0.221 0.000 2.160 146 K HA -0.171 4.149 4.320 0.001 0.000 0.206 146 K C 2.290 178.783 176.600 -0.179 0.000 1.047 146 K CA 1.562 57.729 56.287 -0.199 0.000 0.930 146 K CB -0.230 32.202 32.500 -0.114 0.000 0.720 146 K HN 0.438 nan 8.250 nan 0.000 0.450 147 S N 0.373 116.010 115.700 -0.105 0.000 2.359 147 S HA -0.191 4.280 4.470 0.001 0.000 0.223 147 S C 1.734 176.351 174.600 0.029 0.000 1.039 147 S CA 1.810 60.001 58.200 -0.015 0.000 1.042 147 S CB -0.411 62.821 63.200 0.055 0.000 0.915 147 S HN 0.516 nan 8.310 nan 0.000 0.439 148 F N 0.326 120.263 119.950 -0.021 0.000 2.569 148 F HA 0.466 4.994 4.527 0.001 0.000 0.295 148 F C 1.776 177.569 175.800 -0.011 0.000 1.115 148 F CA 0.073 58.063 58.000 -0.017 0.000 1.450 148 F CB -0.353 38.651 39.000 0.007 0.000 1.107 148 F HN 0.022 nan 8.300 nan 0.000 0.563 149 K N 0.610 120.663 120.400 -0.580 0.000 2.097 149 K HA -0.092 4.229 4.320 0.001 0.000 0.205 149 K C 1.956 178.474 176.600 -0.137 0.000 1.050 149 K CA 1.472 57.534 56.287 -0.375 0.000 0.938 149 K CB -0.292 31.941 32.500 -0.446 0.000 0.718 149 K HN 0.452 nan 8.250 nan 0.000 0.442 150 Q N -0.069 119.656 119.800 -0.125 0.000 2.297 150 Q HA -0.016 4.324 4.340 0.001 0.000 0.204 150 Q C 1.725 177.697 176.000 -0.047 0.000 0.962 150 Q CA 0.834 56.594 55.803 -0.070 0.000 0.879 150 Q CB 0.115 28.811 28.738 -0.069 0.000 0.947 150 Q HN 0.270 nan 8.270 nan 0.000 0.462 151 A N 0.937 123.732 122.820 -0.041 0.000 2.238 151 A HA 0.004 4.324 4.320 0.001 0.000 0.208 151 A C 0.474 177.999 177.584 -0.099 0.000 1.177 151 A CA -0.095 51.904 52.037 -0.063 0.000 0.804 151 A CB -0.045 18.927 19.000 -0.048 0.000 0.823 151 A HN 0.121 nan 8.150 nan 0.000 0.482 152 R N -0.423 120.055 120.500 -0.036 0.000 2.421 152 R HA 0.338 4.679 4.340 0.001 0.000 0.305 152 R C 1.199 177.413 176.300 -0.143 0.000 1.039 152 R CA 0.811 56.902 56.100 -0.015 0.000 1.003 152 R CB 0.018 30.401 30.300 0.140 0.000 0.959 152 R HN 0.578 nan 8.270 nan 0.000 0.427 153 G N 2.780 111.306 108.800 -0.458 0.000 2.143 153 G HA2 -0.265 3.695 3.960 0.001 0.000 0.249 153 G HA3 -0.265 3.695 3.960 0.001 0.000 0.249 153 G C 0.378 175.004 174.900 -0.457 0.000 0.981 153 G CA -0.260 44.244 45.100 -0.993 0.000 0.665 153 G HN 0.507 nan 8.290 nan 0.000 0.528 154 R N 0.126 120.451 120.500 -0.292 0.000 2.727 154 R HA 0.493 4.834 4.340 0.001 0.000 0.410 154 R C 1.245 177.438 176.300 -0.179 0.000 1.101 154 R CA 0.463 56.454 56.100 -0.183 0.000 1.045 154 R CB -0.035 30.191 30.300 -0.123 0.000 1.380 154 R HN 1.631 nan 8.270 nan 0.000 0.587 155 G N -0.150 108.519 108.800 -0.218 0.000 2.698 155 G HA2 -0.139 3.822 3.960 0.001 0.000 0.233 155 G HA3 -0.139 3.822 3.960 0.001 0.000 0.233 155 G C 0.515 175.247 174.900 -0.281 0.000 1.352 155 G CA 0.223 45.211 45.100 -0.187 0.000 0.879 155 G HN 0.702 nan 8.290 nan 0.000 0.567 156 G N -2.471 106.227 108.800 -0.169 0.000 2.132 156 G HA2 0.038 3.999 3.960 0.001 0.000 0.228 156 G HA3 0.038 3.999 3.960 0.001 0.000 0.228 156 G C 0.291 175.095 174.900 -0.161 0.000 1.000 156 G CA 0.725 45.733 45.100 -0.154 0.000 0.693 156 G HN 1.537 nan 8.290 nan 0.000 0.515 157 F N -0.084 119.853 119.950 -0.021 0.000 2.443 157 F HA 0.577 5.105 4.527 0.001 0.000 0.353 157 F C 0.808 176.593 175.800 -0.025 0.000 1.101 157 F CA -0.536 57.450 58.000 -0.024 0.000 1.226 157 F CB 1.614 40.598 39.000 -0.027 0.000 1.140 157 F HN -0.007 nan 8.300 nan 0.000 0.557 158 V N 4.332 124.370 119.914 0.206 0.000 2.735 158 V HA 0.405 4.525 4.120 0.001 0.000 0.310 158 V C -0.140 175.983 176.094 0.048 0.000 1.061 158 V CA -1.337 61.016 62.300 0.089 0.000 0.913 158 V CB 2.108 33.959 31.823 0.047 0.000 1.005 158 V HN 0.636 nan 8.190 nan 0.000 0.428 159 R N 2.324 122.823 120.500 -0.002 0.000 2.449 159 R HA 0.340 4.681 4.340 0.001 0.000 0.296 159 R C 0.300 176.556 176.300 -0.073 0.000 1.047 159 R CA 0.508 56.574 56.100 -0.057 0.000 1.018 159 R CB 0.643 30.862 30.300 -0.134 0.000 0.962 159 R HN 0.867 nan 8.270 nan 0.000 0.428 160 S N 1.971 117.612 115.700 -0.098 0.000 3.012 160 S HA 0.629 5.099 4.470 0.001 0.000 0.254 160 S C -1.029 173.489 174.600 -0.137 0.000 1.030 160 S CA -0.057 58.085 58.200 -0.096 0.000 1.053 160 S CB 0.926 64.066 63.200 -0.099 0.000 1.286 160 S HN 0.794 nan 8.310 nan 0.000 0.633 161 S N -1.386 114.230 115.700 -0.140 0.000 2.570 161 S HA 0.422 4.893 4.470 0.001 0.000 0.270 161 S C -0.239 174.284 174.600 -0.128 0.000 1.149 161 S CA -0.766 57.352 58.200 -0.136 0.000 0.837 161 S CB 0.018 63.205 63.200 -0.021 0.000 1.124 161 S HN 0.791 nan 8.310 nan 0.000 0.465 162 W N 0.959 122.260 121.300 0.003 0.000 2.338 162 W HA -0.097 4.564 4.660 0.001 0.000 0.304 162 W C 2.502 179.002 176.519 -0.031 0.000 1.212 162 W CA 1.442 58.773 57.345 -0.023 0.000 1.264 162 W CB -0.360 29.088 29.460 -0.020 0.000 1.142 162 W HN 0.748 nan 8.180 nan 0.000 0.512 163 Q N 0.076 120.005 119.800 0.216 0.000 2.096 163 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 163 Q C 1.942 178.004 176.000 0.103 0.000 0.982 163 Q CA 2.112 57.992 55.803 0.129 0.000 0.850 163 Q CB -0.611 28.187 28.738 0.100 0.000 0.901 163 Q HN 0.435 nan 8.270 nan 0.000 0.422 164 E N 0.055 120.307 120.200 0.087 0.000 2.046 164 E HA -0.156 4.195 4.350 0.001 0.000 0.190 164 E C 1.902 178.503 176.600 0.000 0.000 0.982 164 E CA 1.462 57.920 56.400 0.097 0.000 0.800 164 E CB 0.095 29.850 29.700 0.092 0.000 0.756 164 E HN 0.316 nan 8.360 nan 0.000 0.449 165 V N 0.032 119.913 119.914 -0.055 0.000 2.427 165 V HA -0.183 3.938 4.120 0.001 0.000 0.248 165 V C 1.827 177.864 176.094 -0.095 0.000 1.051 165 V CA 1.818 64.038 62.300 -0.132 0.000 1.048 165 V CB -0.805 30.933 31.823 -0.142 0.000 0.666 165 V HN 0.163 nan 8.190 nan 0.000 0.456 166 N N 0.861 119.566 118.700 0.009 0.000 2.120 166 N HA -0.195 4.546 4.740 0.001 0.000 0.188 166 N C 1.933 177.426 175.510 -0.028 0.000 1.024 166 N CA 2.076 55.126 53.050 -0.000 0.000 0.852 166 N CB -0.375 38.128 38.487 0.027 0.000 1.003 166 N HN 0.808 nan 8.380 nan 0.000 0.424 167 E N 0.786 120.989 120.200 0.005 0.000 2.047 167 E HA -0.113 4.238 4.350 0.001 0.000 0.191 167 E C 2.118 178.690 176.600 -0.046 0.000 0.987 167 E CA 0.507 56.938 56.400 0.053 0.000 0.799 167 E CB -0.098 29.714 29.700 0.187 0.000 0.752 167 E HN 0.250 nan 8.360 nan 0.000 0.449 168 L N 0.761 121.805 121.223 -0.299 0.000 1.994 168 L HA -0.195 4.145 4.340 0.001 0.000 0.208 168 L C 2.414 178.912 176.870 -0.619 0.000 1.071 168 L CA 1.301 55.624 54.840 -0.862 0.000 0.745 168 L CB -0.228 41.019 42.059 -1.353 0.000 0.892 168 L HN 0.260 nan 8.230 nan 0.000 0.431 169 I N 0.021 120.350 120.570 -0.401 0.000 2.163 169 I HA -0.343 3.828 4.170 0.001 0.000 0.243 169 I C 2.770 178.821 176.117 -0.110 0.000 1.085 169 I CA 1.362 62.505 61.300 -0.263 0.000 1.347 169 I CB -0.598 37.355 38.000 -0.078 0.000 1.044 169 I HN 0.370 nan 8.210 nan 0.000 0.408 170 A N 0.608 123.420 122.820 -0.014 0.000 1.902 170 A HA -0.151 4.169 4.320 0.001 0.000 0.217 170 A C 2.539 180.149 177.584 0.043 0.000 1.181 170 A CA 1.848 53.971 52.037 0.144 0.000 0.623 170 A CB -0.822 18.252 19.000 0.123 0.000 0.818 170 A HN 0.452 nan 8.150 nan 0.000 0.443 171 A N -0.796 121.980 122.820 -0.075 0.000 1.877 171 A HA -0.120 4.201 4.320 0.001 0.000 0.216 171 A C 2.498 179.963 177.584 -0.198 0.000 1.186 171 A CA 2.210 54.204 52.037 -0.072 0.000 0.620 171 A CB -1.058 17.988 19.000 0.077 0.000 0.822 171 A HN 0.574 nan 8.150 nan 0.000 0.443 172 S N -0.104 115.250 115.700 -0.578 0.000 2.370 172 S HA -0.220 4.251 4.470 0.001 0.000 0.226 172 S C 1.870 176.364 174.600 -0.177 0.000 1.033 172 S CA 1.818 59.475 58.200 -0.905 0.000 1.011 172 S CB -0.718 61.677 63.200 -1.342 0.000 0.852 172 S HN 0.744 nan 8.310 nan 0.000 0.457 173 N N -0.013 118.680 118.700 -0.012 0.000 2.084 173 N HA -0.095 4.645 4.740 0.001 0.000 0.190 173 N C 1.738 177.397 175.510 0.248 0.000 1.030 173 N CA 1.466 54.640 53.050 0.207 0.000 0.849 173 N CB -0.215 38.523 38.487 0.418 0.000 1.012 173 N HN 0.209 nan 8.380 nan 0.000 0.423 174 V N 0.819 120.849 119.914 0.194 0.000 2.287 174 V HA -0.273 3.848 4.120 0.001 0.000 0.248 174 V C 1.936 178.046 176.094 0.027 0.000 1.053 174 V CA 1.642 63.958 62.300 0.027 0.000 1.027 174 V CB -0.749 30.954 31.823 -0.199 0.000 0.646 174 V HN 0.363 nan 8.190 nan 0.000 0.447 175 Y N 1.560 121.852 120.300 -0.014 0.000 2.097 175 Y HA -0.309 4.242 4.550 0.001 0.000 0.282 175 Y C 2.674 178.673 175.900 0.165 0.000 1.152 175 Y CA 2.478 60.629 58.100 0.086 0.000 1.136 175 Y CB -0.753 37.888 38.460 0.301 0.000 0.975 175 Y HN 0.250 nan 8.280 nan 0.000 0.498 176 T N 1.286 115.985 114.554 0.241 0.000 2.684 176 T HA -0.208 4.143 4.350 0.001 0.000 0.267 176 T C 1.996 176.757 174.700 0.101 0.000 1.036 176 T CA 2.108 64.338 62.100 0.216 0.000 1.148 176 T CB -0.492 68.517 68.868 0.236 0.000 0.863 176 T HN 0.383 nan 8.240 nan 0.000 0.436 177 I N 0.667 121.274 120.570 0.061 0.000 2.252 177 I HA -0.147 4.024 4.170 0.001 0.000 0.245 177 I C 2.653 178.730 176.117 -0.066 0.000 1.102 177 I CA 1.233 62.541 61.300 0.012 0.000 1.385 177 I CB -0.307 37.687 38.000 -0.011 0.000 1.064 177 I HN 0.186 nan 8.210 nan 0.000 0.414 178 K N 1.283 121.610 120.400 -0.122 0.000 2.025 178 K HA -0.151 4.169 4.320 0.001 0.000 0.207 178 K C 1.566 178.041 176.600 -0.209 0.000 1.049 178 K CA 1.961 58.156 56.287 -0.153 0.000 0.933 178 K CB 0.007 32.424 32.500 -0.140 0.000 0.714 178 K HN 0.317 nan 8.250 nan 0.000 0.438 179 N N -1.493 116.997 118.700 -0.350 0.000 2.405 179 N HA 0.008 4.749 4.740 0.001 0.000 0.175 179 N C 0.557 175.681 175.510 -0.644 0.000 1.051 179 N CA 0.630 53.352 53.050 -0.546 0.000 0.899 179 N CB 0.350 38.314 38.487 -0.872 0.000 1.000 179 N HN 0.184 nan 8.380 nan 0.000 0.451 180 Y N -0.893 119.312 120.300 -0.158 0.000 2.652 180 Y HA 0.466 5.017 4.550 0.001 0.000 0.274 180 Y C 0.958 176.821 175.900 -0.061 0.000 1.148 180 Y CA 0.188 58.230 58.100 -0.098 0.000 1.219 180 Y CB 1.126 39.527 38.460 -0.098 0.000 1.337 180 Y HN -0.045 nan 8.280 nan 0.000 0.490 181 G N -0.239 108.618 108.800 0.096 0.000 2.379 181 G HA2 0.006 3.967 3.960 0.001 0.000 0.609 181 G HA3 0.006 3.967 3.960 0.001 0.000 0.609 181 G C -2.646 172.299 174.900 0.075 0.000 1.484 181 G CA -0.875 44.264 45.100 0.065 0.000 0.921 181 G HN -0.202 nan 8.290 nan 0.000 0.658 182 P HA -0.057 nan 4.420 nan 0.000 0.216 182 P C 1.352 178.693 177.300 0.069 0.000 1.153 182 P CA 1.813 64.964 63.100 0.085 0.000 0.858 182 P CB 0.042 31.807 31.700 0.108 0.000 0.789 183 D N -1.593 118.845 120.400 0.063 0.000 2.358 183 D HA -0.084 4.556 4.640 0.001 0.000 0.241 183 D C 1.269 177.617 176.300 0.081 0.000 1.094 183 D CA 0.438 54.479 54.000 0.068 0.000 0.907 183 D CB -0.529 40.312 40.800 0.068 0.000 0.893 183 D HN 0.077 nan 8.370 nan 0.000 0.528 184 R N -0.389 120.153 120.500 0.070 0.000 2.334 184 R HA 0.273 4.614 4.340 0.001 0.000 0.216 184 R C -0.138 176.203 176.300 0.068 0.000 0.905 184 R CA -0.028 56.094 56.100 0.037 0.000 1.064 184 R CB 0.645 30.946 30.300 0.001 0.000 1.046 184 R HN 0.047 nan 8.270 nan 0.000 0.508 185 V N 0.247 120.223 119.914 0.102 0.000 2.547 185 V HA 0.843 4.963 4.120 0.001 0.000 0.299 185 V C -0.143 176.054 176.094 0.171 0.000 1.040 185 V CA -0.752 61.633 62.300 0.142 0.000 0.913 185 V CB 1.593 33.505 31.823 0.150 0.000 0.992 185 V HN 0.224 nan 8.190 nan 0.000 0.449 186 A N 2.817 125.784 122.820 0.244 0.000 2.602 186 A HA 0.989 5.309 4.320 0.001 0.000 0.290 186 A C -0.396 177.442 177.584 0.422 0.000 1.114 186 A CA -0.155 52.039 52.037 0.262 0.000 0.683 186 A CB 2.011 21.136 19.000 0.208 0.000 1.281 186 A HN 1.308 nan 8.150 nan 0.000 0.416 187 G N -0.868 108.182 108.800 0.417 0.000 2.682 187 G HA2 0.621 4.581 3.960 0.001 0.000 0.300 187 G HA3 0.621 4.581 3.960 0.001 0.000 0.300 187 G C -1.844 173.355 174.900 0.498 0.000 1.391 187 G CA -0.408 45.070 45.100 0.630 0.000 0.990 187 G HN 1.093 nan 8.290 nan 0.000 0.501 188 F N 1.793 121.981 119.950 0.397 0.000 2.477 188 F HA 0.762 5.290 4.527 0.001 0.000 0.335 188 F C -0.178 175.549 175.800 -0.122 0.000 1.130 188 F CA -0.574 57.548 58.000 0.203 0.000 0.948 188 F CB 2.319 41.514 39.000 0.326 0.000 1.154 188 F HN 0.510 nan 8.300 nan 0.000 0.439 189 S N 7.808 122.993 115.700 -0.858 0.000 2.562 189 S HA 0.604 5.075 4.470 0.001 0.000 0.274 189 S C -3.004 171.270 174.600 -0.542 0.000 1.160 189 S CA -0.926 56.727 58.200 -0.912 0.000 0.933 189 S CB 2.084 64.084 63.200 -1.999 0.000 1.100 189 S HN 0.513 nan 8.310 nan 0.000 0.468 190 P HA 0.616 nan 4.420 nan 0.000 0.317 190 P C -0.764 176.189 177.300 -0.579 0.000 1.301 190 P CA -0.655 62.173 63.100 -0.453 0.000 0.799 190 P CB 0.257 31.941 31.700 -0.028 0.000 1.344 191 I N -0.302 119.429 120.570 -1.398 0.000 2.827 191 I HA -0.209 3.961 4.170 0.001 0.000 0.126 191 I C -1.193 174.651 176.117 -0.456 0.000 0.893 191 I CA 0.463 61.278 61.300 -0.807 0.000 2.783 191 I CB -1.570 36.237 38.000 -0.321 0.000 0.645 191 I HN 0.407 nan 8.210 nan 0.000 0.351 192 P HA -0.157 nan 4.420 nan 0.000 0.223 192 P C 1.419 178.414 177.300 -0.508 0.000 1.151 192 P CA 1.640 64.344 63.100 -0.659 0.000 0.787 192 P CB 0.218 31.050 31.700 -1.446 0.000 0.788 193 A N 1.409 123.954 122.820 -0.458 0.000 2.019 193 A HA -0.158 4.163 4.320 0.001 0.000 0.219 193 A C 2.226 179.677 177.584 -0.223 0.000 1.164 193 A CA 1.881 53.717 52.037 -0.335 0.000 0.644 193 A CB -1.400 17.438 19.000 -0.270 0.000 0.805 193 A HN 0.339 nan 8.150 nan 0.000 0.449 194 M N -1.315 118.178 119.600 -0.178 0.000 2.562 194 M HA 0.078 4.558 4.480 0.001 0.000 0.257 194 M C 0.203 176.429 176.300 -0.123 0.000 1.099 194 M CA 1.392 56.606 55.300 -0.144 0.000 1.099 194 M CB -0.070 32.460 32.600 -0.118 0.000 1.427 194 M HN 0.493 nan 8.290 nan 0.000 0.489 195 S N -0.673 114.991 115.700 -0.060 0.000 2.705 195 S HA 0.328 4.799 4.470 0.001 0.000 0.163 195 S C 0.059 174.727 174.600 0.112 0.000 0.785 195 S CA -0.775 57.448 58.200 0.039 0.000 0.990 195 S CB -0.638 62.631 63.200 0.114 0.000 1.526 195 S HN 0.443 nan 8.310 nan 0.000 0.434 196 M N 0.785 120.412 119.600 0.044 0.000 2.082 196 M HA -0.132 4.349 4.480 0.001 0.000 0.258 196 M C 1.915 178.430 176.300 0.359 0.000 1.069 196 M CA 2.165 57.524 55.300 0.098 0.000 1.102 196 M CB -0.601 32.019 32.600 0.033 0.000 1.336 196 M HN 0.596 nan 8.290 nan 0.000 0.404 197 V N -0.781 119.287 119.914 0.257 0.000 2.548 197 V HA -0.165 3.956 4.120 0.001 0.000 0.249 197 V C 2.308 178.657 176.094 0.424 0.000 1.055 197 V CA 1.746 64.195 62.300 0.248 0.000 1.065 197 V CB -0.514 31.313 31.823 0.006 0.000 0.681 197 V HN 0.412 nan 8.190 nan 0.000 0.462 198 S N -0.995 114.959 115.700 0.424 0.000 2.383 198 S HA -0.207 4.264 4.470 0.001 0.000 0.227 198 S C 1.818 176.837 174.600 0.699 0.000 1.026 198 S CA 1.771 60.291 58.200 0.534 0.000 0.981 198 S CB -0.401 63.081 63.200 0.469 0.000 0.818 198 S HN 0.730 nan 8.310 nan 0.000 0.472 199 Y N 2.218 122.805 120.300 0.479 0.000 2.133 199 Y HA -0.083 4.467 4.550 0.001 0.000 0.287 199 Y C 2.446 178.677 175.900 0.551 0.000 1.134 199 Y CA 1.200 59.586 58.100 0.476 0.000 1.133 199 Y CB -0.671 37.976 38.460 0.312 0.000 0.987 199 Y HN 0.213 nan 8.280 nan 0.000 0.502 200 A N 0.203 123.484 122.820 0.769 0.000 1.978 200 A HA -0.245 4.075 4.320 0.001 0.000 0.220 200 A C 2.382 180.137 177.584 0.285 0.000 1.170 200 A CA 2.203 54.499 52.037 0.432 0.000 0.636 200 A CB -1.426 17.747 19.000 0.288 0.000 0.810 200 A HN 0.689 nan 8.150 nan 0.000 0.448 201 S N -0.214 115.741 115.700 0.425 0.000 2.369 201 S HA -0.131 4.339 4.470 0.001 0.000 0.225 201 S C 2.062 176.551 174.600 -0.184 0.000 1.043 201 S CA 1.711 60.094 58.200 0.304 0.000 1.074 201 S CB -1.477 61.996 63.200 0.456 0.000 0.962 201 S HN 0.774 nan 8.310 nan 0.000 0.433 202 G N 1.160 109.480 108.800 -0.799 0.000 2.403 202 G HA2 0.210 4.171 3.960 0.001 0.000 0.216 202 G HA3 0.210 4.171 3.960 0.001 0.000 0.216 202 G C 1.671 176.235 174.900 -0.560 0.000 1.154 202 G CA 0.769 44.754 45.100 -1.858 0.000 0.784 202 G HN 0.831 nan 8.290 nan 0.000 0.538 203 A N 0.616 123.408 122.820 -0.047 0.000 1.933 203 A HA 0.017 4.337 4.320 0.001 0.000 0.218 203 A C 2.287 179.866 177.584 -0.008 0.000 1.175 203 A CA 1.761 53.835 52.037 0.061 0.000 0.628 203 A CB -0.386 18.667 19.000 0.088 0.000 0.814 203 A HN 0.361 nan 8.150 nan 0.000 0.444 204 R N -2.009 118.464 120.500 -0.046 0.000 2.075 204 R HA -0.158 4.182 4.340 0.001 0.000 0.232 204 R C 2.089 178.424 176.300 0.059 0.000 1.126 204 R CA 1.737 57.809 56.100 -0.046 0.000 0.963 204 R CB -0.478 29.710 30.300 -0.187 0.000 0.858 204 R HN 0.601 nan 8.270 nan 0.000 0.435 205 Y N 1.191 121.488 120.300 -0.005 0.000 2.145 205 Y HA -0.169 4.382 4.550 0.001 0.000 0.286 205 Y C 1.765 177.542 175.900 -0.205 0.000 1.145 205 Y CA 1.617 59.649 58.100 -0.112 0.000 1.148 205 Y CB -0.388 37.873 38.460 -0.332 0.000 0.981 205 Y HN 0.026 nan 8.280 nan 0.000 0.507 206 L N -0.784 120.219 121.223 -0.365 0.000 2.046 206 L HA -0.231 4.109 4.340 0.001 0.000 0.208 206 L C 2.518 179.239 176.870 -0.248 0.000 1.077 206 L CA 1.621 56.248 54.840 -0.355 0.000 0.747 206 L CB -0.708 41.282 42.059 -0.115 0.000 0.896 206 L HN 0.141 nan 8.230 nan 0.000 0.432 207 S N -0.102 115.512 115.700 -0.143 0.000 2.383 207 S HA -0.094 4.377 4.470 0.001 0.000 0.227 207 S C 1.964 176.474 174.600 -0.151 0.000 1.026 207 S CA 1.029 59.164 58.200 -0.109 0.000 0.981 207 S CB -0.209 62.983 63.200 -0.012 0.000 0.818 207 S HN 0.280 nan 8.310 nan 0.000 0.472 208 L N 1.388 122.499 121.223 -0.186 0.000 2.093 208 L HA -0.011 4.330 4.340 0.001 0.000 0.208 208 L C 2.202 178.887 176.870 -0.308 0.000 1.085 208 L CA 1.103 55.809 54.840 -0.223 0.000 0.755 208 L CB -0.497 41.440 42.059 -0.203 0.000 0.904 208 L HN 0.429 nan 8.230 nan 0.000 0.435 209 I N -3.771 116.583 120.570 -0.359 0.000 3.578 209 I HA 0.271 4.441 4.170 0.001 0.000 0.295 209 I C 1.294 177.389 176.117 -0.037 0.000 1.280 209 I CA 0.766 61.933 61.300 -0.221 0.000 1.347 209 I CB -0.134 37.612 38.000 -0.423 0.000 1.051 209 I HN 0.275 nan 8.210 nan 0.000 0.460 210 G N 1.170 109.903 108.800 -0.113 0.000 2.144 210 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 210 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 210 G C 0.533 175.410 174.900 -0.038 0.000 0.988 210 G CA -0.254 44.818 45.100 -0.047 0.000 0.659 210 G HN 0.832 nan 8.290 nan 0.000 0.522 211 G N -0.536 108.220 108.800 -0.073 0.000 2.606 211 G HA2 0.526 4.487 3.960 0.001 0.000 0.252 211 G HA3 0.526 4.487 3.960 0.001 0.000 0.252 211 G C 0.200 175.085 174.900 -0.025 0.000 1.206 211 G CA 0.607 45.692 45.100 -0.024 0.000 0.861 211 G HN 0.527 nan 8.290 nan 0.000 0.561 212 T N -0.003 114.562 114.554 0.017 0.000 2.817 212 T HA 0.301 4.651 4.350 0.001 0.000 0.293 212 T C -0.182 174.524 174.700 0.011 0.000 0.964 212 T CA 0.009 62.100 62.100 -0.016 0.000 1.085 212 T CB 0.660 69.514 68.868 -0.022 0.000 0.921 212 T HN 0.459 nan 8.240 nan 0.000 0.502 213 C N 5.114 124.401 119.300 -0.023 0.000 2.264 213 C HA 0.483 4.944 4.460 0.001 0.000 0.324 213 C C 0.450 175.562 174.990 0.204 0.000 1.267 213 C CA -1.049 58.032 59.018 0.104 0.000 1.618 213 C CB -0.981 26.800 27.740 0.069 0.000 2.278 213 C HN 0.761 nan 8.230 nan 0.000 0.499 214 L N 3.939 125.287 121.223 0.209 0.000 2.326 214 L HA 0.359 4.699 4.340 0.001 0.000 0.278 214 L C 1.017 178.079 176.870 0.320 0.000 1.092 214 L CA 0.217 55.165 54.840 0.179 0.000 0.810 214 L CB 0.983 43.099 42.059 0.095 0.000 1.153 214 L HN 0.818 nan 8.230 nan 0.000 0.439 215 S N 1.441 117.285 115.700 0.240 0.000 2.617 215 S HA 0.326 4.796 4.470 0.001 0.000 0.259 215 S C 0.261 174.839 174.600 -0.037 0.000 1.301 215 S CA -0.223 57.855 58.200 -0.203 0.000 0.984 215 S CB 0.936 63.948 63.200 -0.314 0.000 0.954 215 S HN 0.631 nan 8.310 nan 0.000 0.572 216 F N -3.169 116.666 119.950 -0.191 0.000 2.665 216 F HA 0.341 4.868 4.527 0.001 0.000 0.328 216 F C 1.768 177.468 175.800 -0.166 0.000 0.848 216 F CA -0.662 57.190 58.000 -0.248 0.000 1.071 216 F CB -0.451 38.327 39.000 -0.369 0.000 0.906 216 F HN 0.613 nan 8.300 nan 0.000 0.654 217 Y N 2.894 122.495 120.300 -1.166 0.000 2.128 217 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 217 Y C 2.200 177.996 175.900 -0.173 0.000 1.154 217 Y CA 2.114 59.896 58.100 -0.531 0.000 1.149 217 Y CB -0.022 38.042 38.460 -0.660 0.000 0.976 217 Y HN 0.301 nan 8.280 nan 0.000 0.505 218 D N -0.895 119.410 120.400 -0.158 0.000 2.123 218 D HA -0.277 4.363 4.640 0.001 0.000 0.200 218 D C 2.131 178.451 176.300 0.033 0.000 0.976 218 D CA 1.236 55.153 54.000 -0.137 0.000 0.831 218 D CB -1.746 38.993 40.800 -0.101 0.000 0.974 218 D HN 0.649 nan 8.370 nan 0.000 0.469 219 W N 0.735 121.994 121.300 -0.068 0.000 2.318 219 W HA -0.288 4.373 4.660 0.000 0.000 0.313 219 W C 0.981 177.594 176.519 0.158 0.000 1.221 219 W CA 0.901 58.288 57.345 0.071 0.000 1.266 219 W CB -0.159 29.395 29.460 0.157 0.000 1.150 219 W HN -0.088 nan 8.180 nan 0.000 0.496 220 Y N 0.006 120.310 120.300 0.006 0.000 2.583 220 Y HA 0.022 4.572 4.550 0.001 0.000 0.293 220 Y C 2.025 177.752 175.900 -0.288 0.000 1.157 220 Y CA 0.296 58.288 58.100 -0.179 0.000 1.315 220 Y CB -1.344 37.190 38.460 0.123 0.000 1.021 220 Y HN 0.094 nan 8.280 nan 0.000 0.536 221 C N 1.101 120.324 119.300 -0.128 0.000 4.497 221 C HA -0.210 4.250 4.460 0.001 0.000 0.292 221 C C 1.234 176.144 174.990 -0.133 0.000 1.366 221 C CA 0.570 59.422 59.018 -0.278 0.000 1.987 221 C CB -1.949 25.461 27.740 -0.551 0.000 1.241 221 C HN 0.516 nan 8.230 nan 0.000 0.788 222 D N -0.293 120.023 120.400 -0.139 0.000 2.366 222 D HA 0.176 4.817 4.640 0.001 0.000 0.205 222 D C 0.659 176.583 176.300 -0.626 0.000 1.022 222 D CA 0.278 54.202 54.000 -0.126 0.000 0.868 222 D CB 0.008 40.894 40.800 0.143 0.000 0.953 222 D HN 0.646 nan 8.370 nan 0.000 0.514 223 L N 3.343 123.924 121.223 -1.070 0.000 2.418 223 L HA 0.235 4.576 4.340 0.001 0.000 0.274 223 L C -2.483 174.103 176.870 -0.473 0.000 1.135 223 L CA -1.099 53.173 54.840 -0.948 0.000 0.870 223 L CB 0.471 42.153 42.059 -0.629 0.000 1.154 223 L HN -0.222 nan 8.230 nan 0.000 0.462 224 P HA 0.325 nan 4.420 nan 0.000 0.270 224 P C -2.488 174.640 177.300 -0.286 0.000 1.551 224 P CA -1.971 60.876 63.100 -0.422 0.000 1.049 224 P CB 1.220 32.655 31.700 -0.442 0.000 1.397 225 P HA -0.193 nan 4.420 nan 0.000 0.220 225 P C 1.471 178.695 177.300 -0.125 0.000 1.144 225 P CA 1.545 64.489 63.100 -0.261 0.000 0.800 225 P CB -0.219 31.175 31.700 -0.509 0.000 0.772 226 A N -0.877 121.837 122.820 -0.178 0.000 2.019 226 A HA -0.176 4.145 4.320 0.001 0.000 0.219 226 A C 2.468 179.857 177.584 -0.324 0.000 1.164 226 A CA 1.976 53.891 52.037 -0.202 0.000 0.644 226 A CB -1.453 17.461 19.000 -0.143 0.000 0.805 226 A HN 0.222 nan 8.150 nan 0.000 0.449 227 S N -0.047 115.523 115.700 -0.217 0.000 2.345 227 S HA -0.040 4.430 4.470 0.001 0.000 0.219 227 S C -0.325 174.268 174.600 -0.013 0.000 1.031 227 S CA 1.403 59.529 58.200 -0.124 0.000 0.984 227 S CB -0.819 62.466 63.200 0.140 0.000 0.874 227 S HN 0.394 nan 8.310 nan 0.000 0.451 228 P HA -0.026 nan 4.420 nan 0.000 0.218 228 P C 1.372 178.653 177.300 -0.032 0.000 1.149 228 P CA 1.117 64.164 63.100 -0.089 0.000 0.817 228 P CB -0.065 31.331 31.700 -0.506 0.000 0.785 229 Q N -1.300 118.451 119.800 -0.081 0.000 2.084 229 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 229 Q C 1.801 177.716 176.000 -0.141 0.000 0.978 229 Q CA 1.910 57.706 55.803 -0.010 0.000 0.844 229 Q CB -0.637 28.062 28.738 -0.064 0.000 0.898 229 Q HN 0.252 nan 8.270 nan 0.000 0.426 230 T N -1.159 113.147 114.554 -0.414 0.000 2.976 230 T HA -0.026 4.325 4.350 0.001 0.000 0.257 230 T C 0.766 175.040 174.700 -0.710 0.000 1.051 230 T CA 0.604 62.251 62.100 -0.755 0.000 1.141 230 T CB 0.080 68.096 68.868 -1.420 0.000 0.881 230 T HN 0.393 nan 8.240 nan 0.000 0.461 231 W N 0.181 121.386 121.300 -0.158 0.000 2.725 231 W HA 0.466 5.126 4.660 0.001 0.000 0.336 231 W C 1.416 178.074 176.519 0.232 0.000 1.012 231 W CA -0.144 57.185 57.345 -0.027 0.000 1.566 231 W CB -0.269 29.200 29.460 0.015 0.000 1.068 231 W HN 0.397 nan 8.180 nan 0.000 0.546 232 G N 2.132 111.166 108.800 0.390 0.000 2.198 232 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 232 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 232 G C -0.305 174.970 174.900 0.625 0.000 1.025 232 G CA 0.852 46.238 45.100 0.477 0.000 0.769 232 G HN 0.227 nan 8.290 nan 0.000 0.507 233 E N -0.645 119.921 120.200 0.611 0.000 2.272 233 E HA 0.574 4.924 4.350 0.001 0.000 0.269 233 E C 1.042 177.978 176.600 0.559 0.000 0.877 233 E CA -0.378 56.381 56.400 0.598 0.000 0.755 233 E CB 1.129 31.123 29.700 0.491 0.000 1.192 233 E HN 0.145 nan 8.360 nan 0.000 0.422 234 Q N 2.378 122.536 119.800 0.597 0.000 2.014 234 Q HA -0.049 4.291 4.340 0.001 0.000 0.207 234 Q C -0.428 175.874 176.000 0.503 0.000 0.993 234 Q CA 1.775 57.861 55.803 0.472 0.000 0.850 234 Q CB 0.135 29.134 28.738 0.436 0.000 0.916 234 Q HN 0.596 nan 8.270 nan 0.000 0.417 235 T N 0.294 115.166 114.554 0.530 0.000 3.802 235 T HA 0.169 4.520 4.350 0.001 0.000 0.397 235 T C -2.185 172.847 174.700 0.552 0.000 1.404 235 T CA -0.708 61.765 62.100 0.621 0.000 1.151 235 T CB 1.459 70.720 68.868 0.655 0.000 1.329 235 T HN 0.231 nan 8.240 nan 0.000 0.474 236 D N 2.415 123.147 120.400 0.553 0.000 2.890 236 D HA 0.583 5.224 4.640 0.001 0.000 0.233 236 D C -0.671 175.865 176.300 0.392 0.000 1.306 236 D CA -0.238 54.038 54.000 0.460 0.000 0.929 236 D CB 1.713 42.801 40.800 0.480 0.000 1.512 236 D HN 0.503 nan 8.370 nan 0.000 0.568 237 V N 0.822 120.918 119.914 0.303 0.000 3.160 237 V HA 0.822 4.943 4.120 0.001 0.000 0.310 237 V C -2.823 173.462 176.094 0.318 0.000 1.181 237 V CA -2.429 60.003 62.300 0.219 0.000 1.047 237 V CB 1.798 33.587 31.823 -0.057 0.000 1.068 237 V HN 0.271 nan 8.190 nan 0.000 0.441 238 P HA 0.273 nan 4.420 nan 0.000 0.272 238 P C -0.646 176.843 177.300 0.315 0.000 1.223 238 P CA -0.110 63.199 63.100 0.347 0.000 0.784 238 P CB 0.312 32.201 31.700 0.316 0.000 0.923 239 E N 0.138 120.429 120.200 0.151 0.000 2.374 239 E HA 0.133 4.484 4.350 0.001 0.000 0.260 239 E C 0.819 177.185 176.600 -0.391 0.000 1.101 239 E CA -0.501 55.823 56.400 -0.127 0.000 0.907 239 E CB 0.447 30.028 29.700 -0.199 0.000 1.014 239 E HN 0.355 nan 8.360 nan 0.000 0.427 240 S N 1.847 117.073 115.700 -0.790 0.000 2.400 240 S HA -0.234 4.236 4.470 0.001 0.000 0.232 240 S C 1.989 175.567 174.600 -1.704 0.000 1.025 240 S CA 0.853 57.989 58.200 -1.772 0.000 0.993 240 S CB -0.588 61.653 63.200 -1.598 0.000 0.808 240 S HN 0.653 nan 8.310 nan 0.000 0.478 241 A N 1.684 123.677 122.820 -1.379 0.000 2.019 241 A HA -0.098 4.223 4.320 0.001 0.000 0.219 241 A C 1.895 179.109 177.584 -0.617 0.000 1.164 241 A CA 1.692 52.883 52.037 -1.411 0.000 0.644 241 A CB -1.022 17.486 19.000 -0.819 0.000 0.805 241 A HN 0.575 nan 8.150 nan 0.000 0.449 242 D N -1.565 118.612 120.400 -0.372 0.000 2.312 242 D HA -0.125 4.515 4.640 0.001 0.000 0.211 242 D C 1.413 177.792 176.300 0.133 0.000 0.964 242 D CA 0.699 54.664 54.000 -0.058 0.000 0.877 242 D CB -0.154 40.673 40.800 0.045 0.000 0.924 242 D HN 0.597 nan 8.370 nan 0.000 0.515 243 W N -0.242 121.023 121.300 -0.059 0.000 2.374 243 W HA -0.099 4.562 4.660 0.001 0.000 0.288 243 W C 1.702 178.226 176.519 0.007 0.000 1.218 243 W CA 0.215 57.567 57.345 0.012 0.000 1.245 243 W CB -1.555 27.942 29.460 0.062 0.000 1.126 243 W HN 0.148 nan 8.180 nan 0.000 0.545 244 Y N 1.723 122.079 120.300 0.094 0.000 2.574 244 Y HA -0.131 4.419 4.550 0.001 0.000 0.294 244 Y C 1.704 177.625 175.900 0.036 0.000 1.142 244 Y CA 1.295 59.431 58.100 0.060 0.000 1.314 244 Y CB -0.457 38.027 38.460 0.040 0.000 0.991 244 Y HN -0.118 nan 8.280 nan 0.000 0.555 245 N N -0.991 117.772 118.700 0.106 0.000 2.280 245 N HA -0.005 4.736 4.740 0.001 0.000 0.192 245 N C 0.156 175.677 175.510 0.020 0.000 1.109 245 N CA 0.261 53.344 53.050 0.056 0.000 0.855 245 N CB 0.334 38.866 38.487 0.075 0.000 0.974 245 N HN 0.025 nan 8.380 nan 0.000 0.482 246 S N 0.087 115.795 115.700 0.013 0.000 2.585 246 S HA 0.287 4.757 4.470 0.001 0.000 0.277 246 S C 1.090 175.650 174.600 -0.067 0.000 1.241 246 S CA -0.592 57.606 58.200 -0.002 0.000 1.041 246 S CB 0.857 64.075 63.200 0.030 0.000 0.987 246 S HN 0.282 nan 8.310 nan 0.000 0.512 247 S N 3.040 118.713 115.700 -0.045 0.000 2.559 247 S HA 0.299 4.770 4.470 0.001 0.000 0.226 247 S C -0.425 174.178 174.600 0.003 0.000 1.000 247 S CA -0.330 57.840 58.200 -0.049 0.000 0.948 247 S CB -0.102 63.083 63.200 -0.025 0.000 0.870 247 S HN 0.723 nan 8.310 nan 0.000 0.497 248 Y N 0.652 120.869 120.300 -0.140 0.000 2.313 248 Y HA 0.568 5.118 4.550 0.001 0.000 0.320 248 Y C -1.646 174.205 175.900 -0.081 0.000 1.171 248 Y CA -1.002 57.023 58.100 -0.124 0.000 1.093 248 Y CB 1.083 39.434 38.460 -0.181 0.000 1.224 248 Y HN 0.152 nan 8.280 nan 0.000 0.421 249 I N 7.020 127.492 120.570 -0.164 0.000 2.498 249 I HA 0.492 4.663 4.170 0.001 0.000 0.290 249 I C -0.873 175.279 176.117 0.058 0.000 1.032 249 I CA -0.847 60.447 61.300 -0.011 0.000 1.073 249 I CB 2.159 40.067 38.000 -0.153 0.000 1.251 249 I HN 0.467 nan 8.210 nan 0.000 0.426 250 I N 5.128 125.835 120.570 0.228 0.000 2.382 250 I HA 0.442 4.612 4.170 0.001 0.000 0.286 250 I C 0.187 176.407 176.117 0.171 0.000 1.002 250 I CA -0.558 60.858 61.300 0.193 0.000 1.135 250 I CB 1.857 40.013 38.000 0.261 0.000 1.288 250 I HN 0.615 nan 8.210 nan 0.000 0.448 251 A N 7.611 130.495 122.820 0.107 0.000 2.316 251 A HA 0.297 4.618 4.320 0.001 0.000 0.311 251 A C -1.057 176.577 177.584 0.082 0.000 1.339 251 A CA -0.282 51.781 52.037 0.042 0.000 0.960 251 A CB 0.108 19.051 19.000 -0.096 0.000 1.152 251 A HN 0.744 nan 8.150 nan 0.000 0.547 252 W N 2.779 124.052 121.300 -0.045 0.000 2.296 252 W HA 0.459 5.120 4.660 0.001 0.000 0.316 252 W C 0.807 177.314 176.519 -0.021 0.000 1.022 252 W CA 0.115 57.444 57.345 -0.027 0.000 1.324 252 W CB 1.030 30.468 29.460 -0.037 0.000 1.227 252 W HN 1.413 nan 8.180 nan 0.000 0.409 253 G N 3.316 112.307 108.800 0.319 0.000 2.249 253 G HA2 -0.238 3.723 3.960 0.001 0.000 0.273 253 G HA3 -0.238 3.723 3.960 0.001 0.000 0.273 253 G C -0.040 174.910 174.900 0.084 0.000 1.036 253 G CA 0.760 45.986 45.100 0.210 0.000 0.824 253 G HN 0.666 nan 8.290 nan 0.000 0.504 254 S N -0.618 115.097 115.700 0.026 0.000 2.789 254 S HA 0.467 4.938 4.470 0.001 0.000 0.286 254 S C 0.007 174.538 174.600 -0.115 0.000 1.153 254 S CA -0.598 57.574 58.200 -0.046 0.000 1.084 254 S CB 0.750 63.924 63.200 -0.042 0.000 1.036 254 S HN 0.348 nan 8.310 nan 0.000 0.484 255 N N 4.862 123.491 118.700 -0.119 0.000 3.243 255 N HA 0.111 4.851 4.740 0.001 0.000 0.310 255 N C 1.492 176.891 175.510 -0.186 0.000 1.313 255 N CA -0.151 52.804 53.050 -0.158 0.000 1.204 255 N CB -0.446 37.968 38.487 -0.122 0.000 1.483 255 N HN 0.466 nan 8.380 nan 0.000 0.553 256 V N 1.922 121.686 119.914 -0.250 0.000 2.257 256 V HA -0.301 3.820 4.120 0.001 0.000 0.257 256 V C -0.550 175.437 176.094 -0.178 0.000 1.077 256 V CA 2.154 64.300 62.300 -0.257 0.000 1.063 256 V CB -1.432 30.074 31.823 -0.529 0.000 0.664 256 V HN 0.472 nan 8.190 nan 0.000 0.450 257 P HA -0.173 nan 4.420 nan 0.000 0.218 257 P C 1.724 178.946 177.300 -0.130 0.000 1.148 257 P CA 1.672 64.687 63.100 -0.142 0.000 0.822 257 P CB 0.023 31.628 31.700 -0.158 0.000 0.784 258 Q N -0.800 118.905 119.800 -0.158 0.000 2.226 258 Q HA -0.032 4.308 4.340 0.001 0.000 0.199 258 Q C 1.457 177.378 176.000 -0.132 0.000 0.945 258 Q CA 1.566 57.263 55.803 -0.178 0.000 0.861 258 Q CB -0.111 28.496 28.738 -0.219 0.000 0.953 258 Q HN 0.213 nan 8.270 nan 0.000 0.490 259 T N -2.816 111.679 114.554 -0.098 0.000 3.069 259 T HA 0.302 4.653 4.350 0.001 0.000 0.252 259 T C 0.895 175.579 174.700 -0.026 0.000 1.053 259 T CA -0.229 61.838 62.100 -0.055 0.000 0.964 259 T CB 0.429 69.264 68.868 -0.056 0.000 1.005 259 T HN -0.044 nan 8.240 nan 0.000 0.532 260 R N 0.277 120.762 120.500 -0.023 0.000 2.599 260 R HA 0.366 4.706 4.340 0.001 0.000 0.451 260 R C 1.362 177.684 176.300 0.036 0.000 0.988 260 R CA 0.107 56.217 56.100 0.017 0.000 1.085 260 R CB -0.882 29.455 30.300 0.062 0.000 1.452 260 R HN 0.222 nan 8.270 nan 0.000 0.596 261 T N 1.145 115.706 114.554 0.011 0.000 2.624 261 T HA -0.179 4.172 4.350 0.001 0.000 0.266 261 T C -1.041 173.692 174.700 0.055 0.000 1.050 261 T CA 2.019 64.130 62.100 0.018 0.000 1.163 261 T CB -0.621 68.248 68.868 0.001 0.000 0.861 261 T HN 0.344 nan 8.240 nan 0.000 0.443 262 P HA 0.003 nan 4.420 nan 0.000 0.226 262 P C 0.450 177.817 177.300 0.112 0.000 1.153 262 P CA 1.109 64.254 63.100 0.075 0.000 0.777 262 P CB 0.056 31.807 31.700 0.085 0.000 0.794 263 D N -0.650 119.810 120.400 0.099 0.000 2.407 263 D HA 0.149 4.789 4.640 0.001 0.000 0.208 263 D C 1.895 178.271 176.300 0.126 0.000 1.083 263 D CA 0.200 54.247 54.000 0.078 0.000 0.844 263 D CB 0.180 40.915 40.800 -0.108 0.000 0.967 263 D HN 0.045 nan 8.370 nan 0.000 0.506 264 A N 2.242 125.168 122.820 0.176 0.000 1.948 264 A HA -0.258 4.063 4.320 0.001 0.000 0.220 264 A C 2.037 179.735 177.584 0.190 0.000 1.177 264 A CA 1.681 53.842 52.037 0.207 0.000 0.636 264 A CB -1.124 17.931 19.000 0.092 0.000 0.815 264 A HN 0.445 nan 8.150 nan 0.000 0.449 265 H N -2.330 116.742 119.070 0.003 0.000 2.457 265 H HA -0.140 4.417 4.556 0.001 0.000 0.297 265 H C 1.712 177.037 175.328 -0.005 0.000 1.092 265 H CA 1.559 57.564 56.048 -0.072 0.000 1.309 265 H CB -0.824 28.792 29.762 -0.243 0.000 1.382 265 H HN 0.449 nan 8.280 nan 0.000 0.535 266 F N 0.507 120.127 119.950 -0.549 0.000 2.216 266 F HA -0.068 4.460 4.527 0.001 0.000 0.300 266 F C 2.564 178.503 175.800 0.232 0.000 1.085 266 F CA 1.178 59.049 58.000 -0.214 0.000 1.326 266 F CB -0.848 37.965 39.000 -0.312 0.000 1.027 266 F HN 0.134 nan 8.300 nan 0.000 0.497 267 F N 0.871 121.040 119.950 0.364 0.000 2.128 267 F HA -0.170 4.357 4.527 0.001 0.000 0.295 267 F C 2.770 178.588 175.800 0.030 0.000 1.100 267 F CA 1.858 59.985 58.000 0.211 0.000 1.260 267 F CB -0.706 38.370 39.000 0.127 0.000 1.009 267 F HN -0.002 nan 8.300 nan 0.000 0.476 268 T N -2.478 112.215 114.554 0.232 0.000 2.867 268 T HA -0.145 4.206 4.350 0.001 0.000 0.268 268 T C 1.648 176.191 174.700 -0.260 0.000 1.057 268 T CA 1.611 63.709 62.100 -0.003 0.000 1.136 268 T CB -0.524 68.363 68.868 0.033 0.000 0.874 268 T HN 0.402 nan 8.240 nan 0.000 0.466 269 E N 0.444 120.608 120.200 -0.060 0.000 2.076 269 E HA 0.053 4.403 4.350 0.001 0.000 0.190 269 E C 2.306 178.948 176.600 0.070 0.000 0.979 269 E CA 0.631 57.048 56.400 0.028 0.000 0.807 269 E CB -0.261 29.601 29.700 0.270 0.000 0.761 269 E HN 0.279 nan 8.360 nan 0.000 0.454 270 V N 1.432 121.373 119.914 0.045 0.000 2.688 270 V HA -0.275 3.846 4.120 0.001 0.000 0.256 270 V C 1.920 177.824 176.094 -0.317 0.000 1.084 270 V CA 1.664 63.757 62.300 -0.346 0.000 1.103 270 V CB -0.312 31.297 31.823 -0.357 0.000 0.688 270 V HN 0.180 nan 8.190 nan 0.000 0.480 271 R N -1.138 119.158 120.500 -0.340 0.000 2.127 271 R HA -0.159 4.181 4.340 0.001 0.000 0.238 271 R C 2.041 178.259 176.300 -0.136 0.000 1.134 271 R CA 1.900 57.813 56.100 -0.313 0.000 0.975 271 R CB -0.396 29.672 30.300 -0.386 0.000 0.865 271 R HN 0.575 nan 8.270 nan 0.000 0.447 272 Y N 0.489 120.763 120.300 -0.043 0.000 2.571 272 Y HA -0.020 4.531 4.550 0.001 0.000 0.294 272 Y C 1.811 177.692 175.900 -0.033 0.000 1.141 272 Y CA 0.372 58.465 58.100 -0.013 0.000 1.308 272 Y CB -0.158 38.324 38.460 0.037 0.000 1.002 272 Y HN -0.073 nan 8.280 nan 0.000 0.551 273 K N -0.375 120.042 120.400 0.029 0.000 2.417 273 K HA 0.181 4.501 4.320 0.001 0.000 0.196 273 K C 1.011 177.574 176.600 -0.061 0.000 1.023 273 K CA 0.658 56.917 56.287 -0.047 0.000 1.122 273 K CB -0.093 32.269 32.500 -0.229 0.000 0.850 273 K HN 0.402 nan 8.250 nan 0.000 0.521 274 G N 0.923 109.696 108.800 -0.046 0.000 2.176 274 G HA2 -0.204 3.756 3.960 0.001 0.000 0.232 274 G HA3 -0.204 3.756 3.960 0.001 0.000 0.232 274 G C 0.108 174.956 174.900 -0.086 0.000 0.986 274 G CA 0.276 45.350 45.100 -0.044 0.000 0.643 274 G HN 0.332 nan 8.290 nan 0.000 0.522 275 T N 1.092 115.556 114.554 -0.151 0.000 2.901 275 T HA 0.422 4.772 4.350 0.001 0.000 0.301 275 T C 0.412 174.966 174.700 -0.243 0.000 1.012 275 T CA 0.517 62.499 62.100 -0.197 0.000 1.135 275 T CB 1.529 70.236 68.868 -0.269 0.000 0.936 275 T HN 0.478 nan 8.240 nan 0.000 0.539 276 K N 2.434 122.655 120.400 -0.298 0.000 2.156 276 K HA 0.440 4.761 4.320 0.001 0.000 0.271 276 K C -0.185 176.079 176.600 -0.561 0.000 0.995 276 K CA -0.643 55.407 56.287 -0.395 0.000 0.890 276 K CB 0.687 32.944 32.500 -0.405 0.000 1.073 276 K HN 0.736 nan 8.250 nan 0.000 0.454 277 T N -0.247 114.071 114.554 -0.394 0.000 2.841 277 T HA 0.539 4.889 4.350 0.001 0.000 0.283 277 T C -0.694 173.917 174.700 -0.149 0.000 1.000 277 T CA -0.847 61.071 62.100 -0.303 0.000 0.977 277 T CB 1.531 70.228 68.868 -0.285 0.000 0.979 277 T HN 0.200 nan 8.240 nan 0.000 0.446 278 V N 1.762 121.629 119.914 -0.077 0.000 2.588 278 V HA 0.796 4.917 4.120 0.001 0.000 0.304 278 V C 0.027 176.119 176.094 -0.003 0.000 1.042 278 V CA -1.044 61.239 62.300 -0.029 0.000 0.877 278 V CB 1.666 33.471 31.823 -0.029 0.000 0.996 278 V HN 1.306 nan 8.190 nan 0.000 0.425 279 A N 4.319 127.143 122.820 0.006 0.000 2.288 279 A HA 0.809 5.129 4.320 0.001 0.000 0.320 279 A C -0.730 176.843 177.584 -0.018 0.000 1.217 279 A CA -0.484 51.549 52.037 -0.006 0.000 0.840 279 A CB 1.252 20.245 19.000 -0.012 0.000 1.179 279 A HN 0.734 nan 8.150 nan 0.000 0.504 280 V N 3.549 123.372 119.914 -0.151 0.000 2.284 280 V HA 0.608 4.729 4.120 0.001 0.000 0.274 280 V C -0.043 176.017 176.094 -0.057 0.000 1.023 280 V CA -0.001 62.133 62.300 -0.275 0.000 0.808 280 V CB 0.585 31.852 31.823 -0.926 0.000 1.035 280 V HN 1.077 nan 8.190 nan 0.000 0.445 281 T N 2.306 116.932 114.554 0.120 0.000 2.956 281 T HA 0.473 4.824 4.350 0.001 0.000 0.312 281 T C -2.142 172.735 174.700 0.294 0.000 1.151 281 T CA -1.626 60.589 62.100 0.193 0.000 1.024 281 T CB 2.781 71.734 68.868 0.142 0.000 1.140 281 T HN 0.261 nan 8.240 nan 0.000 0.473 282 P HA 0.006 nan 4.420 nan 0.000 0.221 282 P C -0.000 177.491 177.300 0.318 0.000 1.150 282 P CA 1.058 64.286 63.100 0.213 0.000 0.800 282 P CB 0.043 31.850 31.700 0.178 0.000 0.787 283 D N -1.167 119.413 120.400 0.300 0.000 2.392 283 D HA 0.031 4.671 4.640 0.001 0.000 0.246 283 D C -0.909 175.511 176.300 0.200 0.000 1.013 283 D CA -1.134 53.033 54.000 0.279 0.000 0.993 283 D CB 0.662 41.534 40.800 0.119 0.000 1.219 283 D HN -0.073 nan 8.370 nan 0.000 0.538 284 Y N 0.669 120.879 120.300 -0.149 0.000 2.594 284 Y HA 0.415 4.965 4.550 0.001 0.000 0.344 284 Y C 0.214 175.886 175.900 -0.380 0.000 1.185 284 Y CA -0.413 57.295 58.100 -0.653 0.000 1.565 284 Y CB -0.355 37.675 38.460 -0.716 0.000 1.415 284 Y HN 0.545 nan 8.280 nan 0.000 0.488 285 A N 3.750 126.297 122.820 -0.455 0.000 2.259 285 A HA 0.218 4.538 4.320 0.001 0.000 0.278 285 A C 1.287 178.631 177.584 -0.400 0.000 1.107 285 A CA -0.331 51.514 52.037 -0.319 0.000 0.828 285 A CB 0.457 19.325 19.000 -0.219 0.000 1.111 285 A HN 0.802 nan 8.150 nan 0.000 0.498 286 E N -0.596 119.436 120.200 -0.280 0.000 2.153 286 E HA -0.205 4.145 4.350 0.001 0.000 0.194 286 E C 1.524 177.952 176.600 -0.287 0.000 0.988 286 E CA 1.219 57.470 56.400 -0.249 0.000 0.811 286 E CB -0.313 29.264 29.700 -0.206 0.000 0.746 286 E HN 0.635 nan 8.360 nan 0.000 0.466 287 I N 1.483 121.867 120.570 -0.310 0.000 2.226 287 I HA -0.224 3.946 4.170 0.001 0.000 0.245 287 I C 2.196 178.114 176.117 -0.332 0.000 1.100 287 I CA 1.368 62.473 61.300 -0.324 0.000 1.374 287 I CB -0.368 37.449 38.000 -0.305 0.000 1.057 287 I HN -0.021 nan 8.210 nan 0.000 0.413 288 A N 0.432 122.954 122.820 -0.496 0.000 2.024 288 A HA -0.259 4.062 4.320 0.001 0.000 0.220 288 A C 2.367 179.673 177.584 -0.463 0.000 1.164 288 A CA 1.802 53.456 52.037 -0.638 0.000 0.643 288 A CB -0.797 17.317 19.000 -1.476 0.000 0.806 288 A HN 0.446 nan 8.150 nan 0.000 0.451 289 K N 0.116 120.285 120.400 -0.385 0.000 2.209 289 K HA -0.043 4.278 4.320 0.001 0.000 0.204 289 K C 1.359 177.930 176.600 -0.048 0.000 1.048 289 K CA 1.249 57.461 56.287 -0.126 0.000 0.940 289 K CB -0.303 32.152 32.500 -0.074 0.000 0.729 289 K HN 0.566 nan 8.250 nan 0.000 0.451 290 L N 0.106 121.294 121.223 -0.059 0.000 2.607 290 L HA 0.089 4.430 4.340 0.001 0.000 0.228 290 L C 0.769 177.704 176.870 0.110 0.000 1.123 290 L CA -0.401 54.466 54.840 0.045 0.000 0.890 290 L CB 0.315 42.427 42.059 0.087 0.000 1.103 290 L HN 0.008 nan 8.230 nan 0.000 0.468 291 C N -0.406 118.928 119.300 0.058 0.000 2.354 291 C HA 0.207 4.667 4.460 0.001 0.000 0.381 291 C C 1.599 176.610 174.990 0.036 0.000 1.240 291 C CA -0.737 58.321 59.018 0.067 0.000 2.089 291 C CB 1.555 29.334 27.740 0.065 0.000 2.234 291 C HN 0.345 nan 8.230 nan 0.000 0.544 292 D N -0.298 120.107 120.400 0.009 0.000 2.305 292 D HA 0.148 4.788 4.640 0.001 0.000 0.206 292 D C -0.172 176.158 176.300 0.049 0.000 0.974 292 D CA 0.878 54.886 54.000 0.015 0.000 0.871 292 D CB 0.341 41.124 40.800 -0.029 0.000 0.947 292 D HN 0.273 nan 8.370 nan 0.000 0.516 293 L N -0.173 121.084 121.223 0.057 0.000 2.455 293 L HA 0.439 4.779 4.340 0.001 0.000 0.264 293 L C -2.180 174.779 176.870 0.149 0.000 0.968 293 L CA -0.807 54.087 54.840 0.089 0.000 0.827 293 L CB 2.536 44.621 42.059 0.043 0.000 1.317 293 L HN -0.138 nan 8.230 nan 0.000 0.407 294 W N 7.078 128.361 121.300 -0.028 0.000 2.424 294 W HA 0.693 5.353 4.660 0.000 0.000 0.318 294 W C -2.114 174.375 176.519 -0.050 0.000 1.016 294 W CA -1.194 56.119 57.345 -0.054 0.000 1.268 294 W CB 1.024 30.477 29.460 -0.011 0.000 1.297 294 W HN 0.404 nan 8.180 nan 0.000 0.428 295 L N 6.391 127.418 121.223 -0.325 0.000 2.296 295 L HA 0.710 5.051 4.340 0.001 0.000 0.286 295 L C 0.366 176.886 176.870 -0.583 0.000 1.023 295 L CA -1.080 53.472 54.840 -0.480 0.000 0.812 295 L CB 1.589 43.458 42.059 -0.317 0.000 1.223 295 L HN 0.617 nan 8.230 nan 0.000 0.421 296 A N 5.260 127.675 122.820 -0.675 0.000 2.786 296 A HA 0.589 4.909 4.320 0.001 0.000 0.346 296 A C -2.319 175.150 177.584 -0.192 0.000 1.265 296 A CA -1.247 50.549 52.037 -0.402 0.000 0.858 296 A CB -0.285 18.390 19.000 -0.542 0.000 1.118 296 A HN 0.406 nan 8.150 nan 0.000 0.482 297 P HA 0.236 nan 4.420 nan 0.000 0.276 297 P C -0.390 176.923 177.300 0.023 0.000 1.261 297 P CA -0.475 62.595 63.100 -0.050 0.000 0.800 297 P CB 0.828 32.515 31.700 -0.022 0.000 1.066 298 K N 1.778 122.203 120.400 0.041 0.000 2.451 298 K HA 0.001 4.321 4.320 0.001 0.000 0.280 298 K C 0.684 177.377 176.600 0.154 0.000 1.020 298 K CA -0.002 56.352 56.287 0.111 0.000 1.008 298 K CB 0.065 32.651 32.500 0.143 0.000 0.917 298 K HN 0.357 nan 8.250 nan 0.000 0.478 299 Q N 3.327 123.259 119.800 0.220 0.000 2.349 299 Q HA 0.124 4.464 4.340 0.001 0.000 0.287 299 Q C 0.663 176.698 176.000 0.059 0.000 1.044 299 Q CA 0.998 56.955 55.803 0.258 0.000 0.918 299 Q CB 0.376 29.380 28.738 0.444 0.000 1.242 299 Q HN 0.907 nan 8.270 nan 0.000 0.405 300 G N 2.382 110.854 108.800 -0.546 0.000 2.225 300 G HA2 -0.346 3.615 3.960 0.001 0.000 0.254 300 G HA3 -0.346 3.615 3.960 0.001 0.000 0.254 300 G C 0.567 175.088 174.900 -0.630 0.000 0.988 300 G CA 0.735 44.926 45.100 -1.514 0.000 0.625 300 G HN 1.125 nan 8.290 nan 0.000 0.527 301 T N -2.211 112.226 114.554 -0.195 0.000 3.214 301 T HA 0.360 4.711 4.350 0.001 0.000 0.264 301 T C 1.187 175.912 174.700 0.042 0.000 1.012 301 T CA 0.760 62.877 62.100 0.028 0.000 0.901 301 T CB 0.234 69.116 68.868 0.024 0.000 1.070 301 T HN 0.215 nan 8.240 nan 0.000 0.561 302 D N 1.936 122.352 120.400 0.027 0.000 2.178 302 D HA -0.068 4.572 4.640 0.001 0.000 0.201 302 D C 2.225 178.583 176.300 0.097 0.000 0.980 302 D CA 1.292 55.384 54.000 0.153 0.000 0.842 302 D CB -0.016 40.889 40.800 0.175 0.000 0.948 302 D HN 0.647 nan 8.370 nan 0.000 0.472 303 A N 1.428 124.290 122.820 0.069 0.000 1.972 303 A HA -0.047 4.273 4.320 0.001 0.000 0.219 303 A C 2.382 180.041 177.584 0.125 0.000 1.169 303 A CA 1.780 53.859 52.037 0.070 0.000 0.635 303 A CB -0.463 18.609 19.000 0.120 0.000 0.810 303 A HN 0.243 nan 8.150 nan 0.000 0.446 304 A N -0.371 122.519 122.820 0.116 0.000 1.865 304 A HA -0.184 4.136 4.320 0.001 0.000 0.217 304 A C 2.297 179.976 177.584 0.158 0.000 1.191 304 A CA 1.993 54.058 52.037 0.047 0.000 0.623 304 A CB -0.566 18.099 19.000 -0.558 0.000 0.826 304 A HN 0.637 nan 8.150 nan 0.000 0.444 305 M N -0.498 119.169 119.600 0.113 0.000 2.213 305 M HA -0.073 4.407 4.480 0.001 0.000 0.263 305 M C 2.083 178.529 176.300 0.242 0.000 1.062 305 M CA 1.543 56.945 55.300 0.169 0.000 1.105 305 M CB -0.178 32.535 32.600 0.188 0.000 1.385 305 M HN 0.409 nan 8.290 nan 0.000 0.417 306 A N 0.509 123.463 122.820 0.223 0.000 1.929 306 A HA -0.039 4.282 4.320 0.001 0.000 0.216 306 A C 1.962 179.625 177.584 0.132 0.000 1.176 306 A CA 1.035 53.153 52.037 0.135 0.000 0.628 306 A CB -0.728 18.202 19.000 -0.117 0.000 0.816 306 A HN 0.567 nan 8.150 nan 0.000 0.444 307 L N -0.654 120.631 121.223 0.104 0.000 1.994 307 L HA -0.188 4.153 4.340 0.001 0.000 0.208 307 L C 3.129 180.176 176.870 0.296 0.000 1.071 307 L CA 1.196 56.086 54.840 0.084 0.000 0.745 307 L CB -0.525 41.371 42.059 -0.272 0.000 0.892 307 L HN 0.414 nan 8.230 nan 0.000 0.431 308 A N -0.399 122.585 122.820 0.274 0.000 1.940 308 A HA -0.265 4.056 4.320 0.001 0.000 0.219 308 A C 2.275 179.980 177.584 0.202 0.000 1.176 308 A CA 2.046 54.230 52.037 0.245 0.000 0.631 308 A CB -0.529 18.590 19.000 0.199 0.000 0.814 308 A HN 0.399 nan 8.150 nan 0.000 0.446 309 M N -0.950 118.756 119.600 0.177 0.000 2.156 309 M HA -0.050 4.430 4.480 0.001 0.000 0.264 309 M C 2.316 178.712 176.300 0.161 0.000 1.067 309 M CA 1.309 56.682 55.300 0.123 0.000 1.131 309 M CB -0.523 32.132 32.600 0.091 0.000 1.368 309 M HN 0.492 nan 8.290 nan 0.000 0.416 310 G N -0.827 108.118 108.800 0.242 0.000 2.432 310 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 310 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 310 G C 1.397 176.353 174.900 0.094 0.000 1.135 310 G CA 0.771 46.016 45.100 0.243 0.000 0.767 310 G HN 0.465 nan 8.290 nan 0.000 0.550 311 H N 0.579 119.762 119.070 0.188 0.000 2.321 311 H HA -0.033 4.523 4.556 0.001 0.000 0.300 311 H C 2.594 177.981 175.328 0.099 0.000 1.087 311 H CA 1.664 57.810 56.048 0.165 0.000 1.319 311 H CB -0.191 29.737 29.762 0.276 0.000 1.379 311 H HN 0.164 nan 8.280 nan 0.000 0.501 312 V N 1.406 121.466 119.914 0.244 0.000 2.407 312 V HA -0.284 3.836 4.120 0.001 0.000 0.248 312 V C 2.903 179.149 176.094 0.253 0.000 1.055 312 V CA 1.834 64.235 62.300 0.168 0.000 1.049 312 V CB -0.561 31.232 31.823 -0.050 0.000 0.662 312 V HN 0.378 nan 8.190 nan 0.000 0.455 313 M N -0.869 118.857 119.600 0.210 0.000 2.099 313 M HA -0.139 4.341 4.480 0.001 0.000 0.262 313 M C 2.219 178.686 176.300 0.278 0.000 1.067 313 M CA 1.944 57.428 55.300 0.306 0.000 1.124 313 M CB -0.494 32.214 32.600 0.181 0.000 1.353 313 M HN 0.247 nan 8.290 nan 0.000 0.410 314 L N -0.432 120.750 121.223 -0.068 0.000 2.017 314 L HA -0.217 4.124 4.340 0.001 0.000 0.208 314 L C 2.738 179.586 176.870 -0.037 0.000 1.073 314 L CA 1.119 55.803 54.840 -0.260 0.000 0.745 314 L CB -0.686 40.969 42.059 -0.672 0.000 0.894 314 L HN 0.259 nan 8.230 nan 0.000 0.432 315 R N 0.848 121.322 120.500 -0.042 0.000 2.083 315 R HA -0.186 4.154 4.340 0.001 0.000 0.237 315 R C 1.929 178.273 176.300 0.073 0.000 1.137 315 R CA 1.910 58.017 56.100 0.011 0.000 0.951 315 R CB -0.325 30.036 30.300 0.101 0.000 0.851 315 R HN 0.416 nan 8.270 nan 0.000 0.434 316 E N -1.866 118.422 120.200 0.147 0.000 2.276 316 E HA 0.039 4.390 4.350 0.001 0.000 0.193 316 E C 0.990 177.453 176.600 -0.227 0.000 0.983 316 E CA 0.531 56.916 56.400 -0.024 0.000 0.861 316 E CB 0.182 29.866 29.700 -0.027 0.000 0.817 316 E HN 0.322 nan 8.360 nan 0.000 0.485 317 F N -1.008 119.055 119.950 0.189 0.000 2.678 317 F HA 0.222 4.750 4.527 0.001 0.000 0.305 317 F C 1.816 177.674 175.800 0.098 0.000 1.090 317 F CA 0.216 58.338 58.000 0.203 0.000 1.272 317 F CB 0.528 39.783 39.000 0.424 0.000 1.060 317 F HN 0.046 nan 8.300 nan 0.000 0.576 318 H N -1.841 117.347 119.070 0.196 0.000 2.258 318 H HA 0.188 4.744 4.556 0.001 0.000 0.250 318 H C 1.572 176.940 175.328 0.067 0.000 0.908 318 H CA 0.379 56.507 56.048 0.134 0.000 1.096 318 H CB 0.319 30.117 29.762 0.059 0.000 1.422 318 H HN 0.025 nan 8.280 nan 0.000 0.469 319 L N 1.234 122.544 121.223 0.145 0.000 2.051 319 L HA -0.047 4.294 4.340 0.001 0.000 0.202 319 L C 1.958 178.837 176.870 0.015 0.000 1.097 319 L CA 1.580 56.457 54.840 0.062 0.000 0.762 319 L CB -0.827 41.241 42.059 0.015 0.000 0.913 319 L HN 0.096 nan 8.230 nan 0.000 0.447 320 D N -0.083 120.311 120.400 -0.010 0.000 2.104 320 D HA -0.135 4.506 4.640 0.001 0.000 0.194 320 D C 0.258 176.522 176.300 -0.061 0.000 0.994 320 D CA 1.371 55.346 54.000 -0.042 0.000 0.830 320 D CB -0.214 40.552 40.800 -0.058 0.000 0.959 320 D HN 0.304 nan 8.370 nan 0.000 0.452 321 N N -0.188 118.459 118.700 -0.087 0.000 2.750 321 N HA 0.271 5.011 4.740 0.001 0.000 0.253 321 N C -2.799 172.656 175.510 -0.091 0.000 1.408 321 N CA -1.010 51.976 53.050 -0.107 0.000 0.780 321 N CB 1.666 40.049 38.487 -0.173 0.000 1.191 321 N HN -0.108 nan 8.380 nan 0.000 0.511 322 P HA -0.101 nan 4.420 nan 0.000 0.259 322 P C -0.151 177.102 177.300 -0.079 0.000 1.163 322 P CA 0.510 63.581 63.100 -0.049 0.000 0.760 322 P CB 0.464 32.146 31.700 -0.030 0.000 0.762 323 S N 2.660 118.289 115.700 -0.118 0.000 2.489 323 S HA 0.092 4.563 4.470 0.001 0.000 0.277 323 S C 1.396 175.912 174.600 -0.141 0.000 1.230 323 S CA -0.497 57.584 58.200 -0.198 0.000 1.053 323 S CB 0.506 63.395 63.200 -0.519 0.000 0.955 323 S HN 0.514 nan 8.310 nan 0.000 0.488 324 Q N 4.913 124.666 119.800 -0.078 0.000 2.124 324 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 324 Q C 1.492 177.500 176.000 0.012 0.000 0.977 324 Q CA 1.553 57.344 55.803 -0.019 0.000 0.850 324 Q CB -0.590 28.156 28.738 0.013 0.000 0.901 324 Q HN 0.865 nan 8.270 nan 0.000 0.429 325 Y N 1.129 121.347 120.300 -0.136 0.000 2.114 325 Y HA -0.217 4.334 4.550 0.001 0.000 0.284 325 Y C 1.758 177.736 175.900 0.130 0.000 1.143 325 Y CA 1.405 59.435 58.100 -0.117 0.000 1.135 325 Y CB -0.464 37.837 38.460 -0.266 0.000 0.980 325 Y HN 0.102 nan 8.280 nan 0.000 0.499 326 F N 0.051 119.870 119.950 -0.218 0.000 2.134 326 F HA -0.180 4.347 4.527 0.001 0.000 0.299 326 F C 2.563 178.310 175.800 -0.088 0.000 1.097 326 F CA 1.659 59.522 58.000 -0.229 0.000 1.264 326 F CB -1.723 37.163 39.000 -0.189 0.000 1.001 326 F HN 0.011 nan 8.300 nan 0.000 0.479 327 T N -0.481 114.113 114.554 0.068 0.000 2.708 327 T HA -0.239 4.111 4.350 0.001 0.000 0.266 327 T C 1.598 176.328 174.700 0.049 0.000 1.037 327 T CA 1.789 63.923 62.100 0.057 0.000 1.146 327 T CB -0.547 68.317 68.868 -0.008 0.000 0.865 327 T HN 0.248 nan 8.240 nan 0.000 0.435 328 D N -0.209 120.201 120.400 0.016 0.000 2.117 328 D HA -0.151 4.489 4.640 0.001 0.000 0.197 328 D C 1.859 178.152 176.300 -0.013 0.000 0.987 328 D CA 0.952 54.944 54.000 -0.013 0.000 0.829 328 D CB -0.278 40.522 40.800 -0.000 0.000 0.961 328 D HN 0.449 nan 8.370 nan 0.000 0.460 329 Y N 0.795 121.037 120.300 -0.097 0.000 2.070 329 Y HA -0.250 4.301 4.550 0.001 0.000 0.280 329 Y C 2.330 178.283 175.900 0.087 0.000 1.148 329 Y CA 2.532 60.638 58.100 0.009 0.000 1.125 329 Y CB -0.668 37.708 38.460 -0.139 0.000 0.975 329 Y HN 0.046 nan 8.280 nan 0.000 0.492 330 V N -0.350 119.731 119.914 0.277 0.000 2.720 330 V HA -0.223 3.897 4.120 0.001 0.000 0.256 330 V C 2.322 178.447 176.094 0.052 0.000 1.082 330 V CA 2.133 64.562 62.300 0.214 0.000 1.101 330 V CB -1.080 30.957 31.823 0.356 0.000 0.693 330 V HN 0.445 nan 8.190 nan 0.000 0.479 331 R N 0.628 121.116 120.500 -0.019 0.000 2.073 331 R HA -0.023 4.318 4.340 0.001 0.000 0.229 331 R C 2.538 178.739 176.300 -0.165 0.000 1.120 331 R CA 1.485 57.534 56.100 -0.085 0.000 0.967 331 R CB -0.116 30.126 30.300 -0.096 0.000 0.862 331 R HN 0.489 nan 8.270 nan 0.000 0.436 332 R N -1.335 118.970 120.500 -0.325 0.000 2.189 332 R HA 0.006 4.347 4.340 0.001 0.000 0.203 332 R C 0.845 176.804 176.300 -0.570 0.000 1.012 332 R CA 0.724 56.503 56.100 -0.535 0.000 1.015 332 R CB 0.270 30.067 30.300 -0.838 0.000 0.938 332 R HN 0.297 nan 8.270 nan 0.000 0.472 333 Y N 0.262 120.447 120.300 -0.192 0.000 2.481 333 Y HA 0.170 4.720 4.550 0.001 0.000 0.247 333 Y C 0.948 176.759 175.900 -0.149 0.000 1.151 333 Y CA -0.369 57.640 58.100 -0.152 0.000 1.238 333 Y CB 0.560 38.760 38.460 -0.433 0.000 1.179 333 Y HN -0.062 nan 8.280 nan 0.000 0.524 334 T N -3.282 111.275 114.554 0.006 0.000 2.888 334 T HA 0.265 4.615 4.350 0.001 0.000 0.288 334 T C 0.260 174.979 174.700 0.031 0.000 1.063 334 T CA -0.585 61.519 62.100 0.006 0.000 1.010 334 T CB 1.971 70.876 68.868 0.063 0.000 1.214 334 T HN 0.096 nan 8.240 nan 0.000 0.533 335 D N -0.024 120.400 120.400 0.040 0.000 2.358 335 D HA 0.101 4.741 4.640 0.001 0.000 0.224 335 D C 1.500 177.849 176.300 0.082 0.000 1.123 335 D CA -0.159 53.877 54.000 0.060 0.000 0.833 335 D CB -0.305 40.535 40.800 0.067 0.000 0.946 335 D HN 0.573 nan 8.370 nan 0.000 0.505 336 M N 0.121 119.787 119.600 0.110 0.000 2.149 336 M HA -0.052 4.429 4.480 0.001 0.000 0.261 336 M C -0.747 175.630 176.300 0.127 0.000 1.064 336 M CA 1.600 57.000 55.300 0.168 0.000 1.102 336 M CB -1.110 31.661 32.600 0.285 0.000 1.369 336 M HN 0.026 nan 8.290 nan 0.000 0.408 337 P HA -0.027 nan 4.420 nan 0.000 0.225 337 P C 0.209 177.527 177.300 0.030 0.000 1.156 337 P CA 0.769 63.887 63.100 0.030 0.000 0.787 337 P CB 0.036 31.735 31.700 -0.002 0.000 0.802 338 M N -0.218 119.399 119.600 0.028 0.000 2.252 338 M HA 0.047 4.527 4.480 0.001 0.000 0.333 338 M C 0.447 176.734 176.300 -0.023 0.000 1.111 338 M CA 0.202 55.505 55.300 0.006 0.000 1.140 338 M CB -0.688 31.932 32.600 0.033 0.000 1.538 338 M HN -0.126 nan 8.290 nan 0.000 0.448 339 L N 2.059 123.248 121.223 -0.058 0.000 2.307 339 L HA 0.564 4.904 4.340 0.001 0.000 0.282 339 L C -0.413 176.406 176.870 -0.084 0.000 1.051 339 L CA -0.844 53.950 54.840 -0.076 0.000 0.804 339 L CB 1.311 43.289 42.059 -0.135 0.000 1.197 339 L HN 0.325 nan 8.230 nan 0.000 0.431 340 V N 3.428 123.274 119.914 -0.112 0.000 2.495 340 V HA 0.419 4.539 4.120 0.001 0.000 0.298 340 V C 0.258 176.312 176.094 -0.066 0.000 1.031 340 V CA -0.590 61.632 62.300 -0.130 0.000 0.871 340 V CB 1.774 33.401 31.823 -0.328 0.000 0.988 340 V HN 0.707 nan 8.190 nan 0.000 0.432 341 M N 4.910 124.496 119.600 -0.023 0.000 2.250 341 M HA 0.485 4.965 4.480 0.001 0.000 0.344 341 M C -0.751 175.547 176.300 -0.003 0.000 1.150 341 M CA -0.080 55.212 55.300 -0.014 0.000 1.147 341 M CB 0.813 33.414 32.600 0.002 0.000 1.498 341 M HN 0.391 nan 8.290 nan 0.000 0.461 342 L N 2.203 123.414 121.223 -0.019 0.000 2.309 342 L HA 0.387 4.727 4.340 0.001 0.000 0.282 342 L C -0.157 176.754 176.870 0.068 0.000 1.036 342 L CA -0.577 54.267 54.840 0.006 0.000 0.806 342 L CB 1.232 43.230 42.059 -0.101 0.000 1.220 342 L HN 0.662 nan 8.230 nan 0.000 0.429 343 E N 2.559 122.822 120.200 0.105 0.000 2.174 343 E HA 0.186 4.536 4.350 0.001 0.000 0.282 343 E C -0.765 175.915 176.600 0.134 0.000 0.992 343 E CA -0.514 55.940 56.400 0.090 0.000 0.803 343 E CB 1.872 31.595 29.700 0.038 0.000 1.090 343 E HN 0.438 nan 8.360 nan 0.000 0.396 344 E N 3.401 123.672 120.200 0.118 0.000 2.299 344 E HA 0.031 4.381 4.350 0.001 0.000 0.272 344 E C -0.258 176.203 176.600 -0.232 0.000 1.043 344 E CA -0.215 56.168 56.400 -0.029 0.000 0.895 344 E CB 0.437 30.145 29.700 0.014 0.000 1.011 344 E HN 0.224 nan 8.360 nan 0.000 0.432 345 R N 2.565 122.773 120.500 -0.487 0.000 3.112 345 R HA 0.212 4.553 4.340 0.001 0.000 0.227 345 R C -0.779 175.214 176.300 -0.512 0.000 1.519 345 R CA -0.810 54.952 56.100 -0.564 0.000 1.051 345 R CB 0.002 29.699 30.300 -1.005 0.000 1.652 345 R HN 0.518 nan 8.270 nan 0.000 0.517 346 D N -0.043 120.123 120.400 -0.391 0.000 2.508 346 D HA 0.298 4.938 4.640 0.001 0.000 0.224 346 D C 0.581 176.882 176.300 0.002 0.000 1.171 346 D CA 1.101 55.016 54.000 -0.142 0.000 1.006 346 D CB -0.399 40.390 40.800 -0.018 0.000 1.073 346 D HN 0.694 nan 8.370 nan 0.000 0.513 347 G N 2.431 111.189 108.800 -0.071 0.000 2.159 347 G HA2 -0.237 3.724 3.960 0.001 0.000 0.227 347 G HA3 -0.237 3.724 3.960 0.001 0.000 0.227 347 G C -0.087 174.911 174.900 0.163 0.000 0.986 347 G CA 0.333 45.470 45.100 0.063 0.000 0.651 347 G HN 0.706 nan 8.290 nan 0.000 0.523 348 Y N -3.332 116.819 120.300 -0.249 0.000 2.925 348 Y HA 0.683 5.233 4.550 0.001 0.000 0.349 348 Y C -1.006 174.652 175.900 -0.405 0.000 1.342 348 Y CA -2.464 55.492 58.100 -0.240 0.000 1.093 348 Y CB 0.475 38.905 38.460 -0.051 0.000 1.571 348 Y HN 0.166 nan 8.280 nan 0.000 0.438 349 Y N 0.718 121.040 120.300 0.037 0.000 2.549 349 Y HA 0.866 5.416 4.550 0.001 0.000 0.339 349 Y C -0.140 175.773 175.900 0.022 0.000 1.053 349 Y CA -0.854 57.211 58.100 -0.059 0.000 1.105 349 Y CB 2.406 40.877 38.460 0.018 0.000 1.258 349 Y HN 0.859 nan 8.280 nan 0.000 0.478 350 A N 1.020 123.922 122.820 0.137 0.000 2.343 350 A HA 0.789 5.110 4.320 0.001 0.000 0.316 350 A C -0.792 176.839 177.584 0.078 0.000 1.104 350 A CA -0.749 51.344 52.037 0.095 0.000 0.768 350 A CB 0.437 19.462 19.000 0.041 0.000 1.213 350 A HN 0.878 nan 8.150 nan 0.000 0.456 351 A N 2.061 124.902 122.820 0.035 0.000 2.491 351 A HA 0.534 4.855 4.320 0.001 0.000 0.261 351 A C 0.911 178.572 177.584 0.128 0.000 1.101 351 A CA 0.626 52.697 52.037 0.055 0.000 0.772 351 A CB -0.352 18.667 19.000 0.033 0.000 1.043 351 A HN 1.579 nan 8.150 nan 0.000 0.501 352 G N 1.838 110.711 108.800 0.120 0.000 2.940 352 G HA2 0.523 4.484 3.960 0.001 0.000 0.164 352 G HA3 0.523 4.484 3.960 0.001 0.000 0.164 352 G C 0.314 175.332 174.900 0.196 0.000 1.326 352 G CA -0.593 44.583 45.100 0.127 0.000 1.020 352 G HN 1.085 nan 8.290 nan 0.000 0.586 353 R N -1.048 119.533 120.500 0.135 0.000 2.679 353 R HA 0.399 4.740 4.340 0.001 0.000 0.269 353 R C 0.108 176.504 176.300 0.160 0.000 1.076 353 R CA -0.302 55.897 56.100 0.165 0.000 1.160 353 R CB 0.404 30.757 30.300 0.088 0.000 1.054 353 R HN 0.304 nan 8.270 nan 0.000 0.507 354 M N 2.106 121.825 119.600 0.199 0.000 2.238 354 M HA 0.076 4.556 4.480 0.001 0.000 0.347 354 M C 0.002 176.332 176.300 0.051 0.000 1.173 354 M CA -0.661 54.712 55.300 0.122 0.000 1.147 354 M CB 0.698 33.399 32.600 0.168 0.000 1.547 354 M HN 0.499 nan 8.290 nan 0.000 0.455 355 L N 4.097 125.323 121.223 0.004 0.000 2.485 355 L HA 0.138 4.478 4.340 0.001 0.000 0.275 355 L C -0.108 176.748 176.870 -0.023 0.000 1.207 355 L CA 0.861 55.686 54.840 -0.024 0.000 0.855 355 L CB 0.125 42.148 42.059 -0.061 0.000 1.114 355 L HN 0.553 nan 8.230 nan 0.000 0.485 356 R N 3.490 123.969 120.500 -0.036 0.000 2.854 356 R HA 0.545 4.885 4.340 0.001 0.000 0.271 356 R C 0.641 176.917 176.300 -0.040 0.000 0.996 356 R CA -0.168 55.909 56.100 -0.040 0.000 0.961 356 R CB 0.825 31.080 30.300 -0.075 0.000 1.182 356 R HN 0.739 nan 8.270 nan 0.000 0.479 357 A N 1.036 123.837 122.820 -0.030 0.000 1.978 357 A HA -0.142 4.179 4.320 0.001 0.000 0.220 357 A C 1.820 179.388 177.584 -0.026 0.000 1.170 357 A CA 2.135 54.157 52.037 -0.024 0.000 0.636 357 A CB -0.576 18.414 19.000 -0.016 0.000 0.810 357 A HN 0.746 nan 8.150 nan 0.000 0.448 358 A N -0.340 122.459 122.820 -0.035 0.000 2.121 358 A HA -0.107 4.214 4.320 0.001 0.000 0.218 358 A C 1.446 179.013 177.584 -0.028 0.000 1.154 358 A CA 1.509 53.528 52.037 -0.031 0.000 0.679 358 A CB -0.374 18.600 19.000 -0.043 0.000 0.795 358 A HN 0.472 nan 8.150 nan 0.000 0.458 359 D N -0.399 119.982 120.400 -0.033 0.000 2.347 359 D HA 0.118 4.758 4.640 0.001 0.000 0.213 359 D C 0.553 176.841 176.300 -0.019 0.000 0.985 359 D CA 0.453 54.437 54.000 -0.027 0.000 0.879 359 D CB 0.090 40.872 40.800 -0.031 0.000 0.919 359 D HN 0.422 nan 8.370 nan 0.000 0.526 360 L N 0.685 121.897 121.223 -0.018 0.000 2.334 360 L HA 0.321 4.661 4.340 0.001 0.000 0.270 360 L C 0.498 177.366 176.870 -0.003 0.000 1.018 360 L CA -1.368 53.465 54.840 -0.011 0.000 0.811 360 L CB 1.731 43.781 42.059 -0.015 0.000 1.271 360 L HN -0.226 nan 8.230 nan 0.000 0.443 361 V N -1.446 118.470 119.914 0.003 0.000 2.673 361 V HA 0.107 4.227 4.120 0.001 0.000 0.303 361 V C 0.201 176.300 176.094 0.008 0.000 1.046 361 V CA -0.171 62.133 62.300 0.006 0.000 1.126 361 V CB 0.522 32.350 31.823 0.009 0.000 0.934 361 V HN 0.951 nan 8.190 nan 0.000 0.487 362 D N 2.372 122.777 120.400 0.008 0.000 3.028 362 D HA -0.289 4.352 4.640 0.001 0.000 0.207 362 D C 0.986 177.293 176.300 0.010 0.000 1.100 362 D CA 1.870 55.877 54.000 0.011 0.000 0.995 362 D CB -1.590 39.219 40.800 0.014 0.000 1.108 362 D HN 2.160 nan 8.370 nan 0.000 0.421 363 A N -0.638 122.185 122.820 0.005 0.000 2.799 363 A HA -0.173 4.148 4.320 0.001 0.000 0.287 363 A C 1.308 178.896 177.584 0.006 0.000 1.484 363 A CA 1.657 53.694 52.037 0.001 0.000 0.813 363 A CB -1.680 17.321 19.000 0.001 0.000 1.009 363 A HN 1.231 nan 8.150 nan 0.000 0.545 364 L N -4.380 116.849 121.223 0.010 0.000 4.232 364 L HA -0.168 4.172 4.340 0.001 0.000 0.415 364 L C 1.654 178.544 176.870 0.032 0.000 1.168 364 L CA 2.466 57.317 54.840 0.018 0.000 0.966 364 L CB -1.364 40.703 42.059 0.013 0.000 2.052 364 L HN 2.537 nan 8.230 nan 0.000 0.887 365 G N -2.072 106.745 108.800 0.029 0.000 2.157 365 G HA2 -0.271 3.689 3.960 0.001 0.000 0.248 365 G HA3 -0.271 3.689 3.960 0.001 0.000 0.248 365 G C 0.162 175.088 174.900 0.043 0.000 0.979 365 G CA 0.339 45.461 45.100 0.037 0.000 0.650 365 G HN 0.507 nan 8.290 nan 0.000 0.529 366 Q N 0.683 120.501 119.800 0.031 0.000 2.360 366 Q HA 0.319 4.659 4.340 0.001 0.000 0.254 366 Q C 1.440 177.445 176.000 0.008 0.000 0.975 366 Q CA 0.023 55.837 55.803 0.018 0.000 0.912 366 Q CB 1.320 30.045 28.738 -0.022 0.000 1.212 366 Q HN 0.766 nan 8.270 nan 0.000 0.452 367 E N 1.609 121.819 120.200 0.017 0.000 2.190 367 E HA -0.078 4.273 4.350 0.001 0.000 0.191 367 E C -0.137 176.472 176.600 0.015 0.000 0.978 367 E CA 0.388 56.798 56.400 0.018 0.000 0.839 367 E CB 0.265 29.980 29.700 0.025 0.000 0.787 367 E HN 0.302 nan 8.360 nan 0.000 0.473 368 N N 1.478 120.180 118.700 0.003 0.000 2.421 368 N HA 0.063 4.803 4.740 0.001 0.000 0.285 368 N C -0.649 174.851 175.510 -0.016 0.000 1.027 368 N CA -0.407 52.645 53.050 0.003 0.000 0.918 368 N CB 0.428 38.919 38.487 0.008 0.000 1.152 368 N HN -0.065 nan 8.380 nan 0.000 0.485 369 N N 2.700 121.430 118.700 0.050 0.000 2.702 369 N HA -0.155 4.586 4.740 0.001 0.000 0.255 369 N C -1.851 173.707 175.510 0.081 0.000 0.983 369 N CA 0.505 53.637 53.050 0.137 0.000 0.768 369 N CB -0.512 38.069 38.487 0.158 0.000 0.918 369 N HN 0.676 nan 8.380 nan 0.000 0.540 370 P HA -0.172 nan 4.420 nan 0.000 0.222 370 P C 1.196 178.478 177.300 -0.031 0.000 1.147 370 P CA 1.333 64.419 63.100 -0.023 0.000 0.790 370 P CB 0.245 31.935 31.700 -0.016 0.000 0.780 371 E N -0.835 119.340 120.200 -0.042 0.000 2.427 371 E HA -0.141 4.209 4.350 0.001 0.000 0.196 371 E C 0.703 177.083 176.600 -0.367 0.000 1.028 371 E CA 0.556 56.832 56.400 -0.206 0.000 0.864 371 E CB -0.924 28.611 29.700 -0.274 0.000 0.813 371 E HN 0.405 nan 8.360 nan 0.000 0.514 372 W N 1.615 122.904 121.300 -0.018 0.000 2.966 372 W HA 0.334 4.994 4.660 0.001 0.000 0.406 372 W C -0.033 176.471 176.519 -0.025 0.000 1.027 372 W CA -0.607 56.731 57.345 -0.012 0.000 1.930 372 W CB 0.762 30.222 29.460 -0.001 0.000 1.144 372 W HN -0.255 nan 8.180 nan 0.000 0.626 373 K N 0.996 121.447 120.400 0.086 0.000 2.358 373 K HA 0.327 4.648 4.320 0.001 0.000 0.260 373 K C 0.419 177.063 176.600 0.072 0.000 0.956 373 K CA -0.437 55.881 56.287 0.052 0.000 0.834 373 K CB 1.625 34.057 32.500 -0.114 0.000 1.102 373 K HN -0.172 nan 8.250 nan 0.000 0.431 374 T N -1.156 113.471 114.554 0.122 0.000 2.813 374 T HA 0.378 4.729 4.350 0.001 0.000 0.297 374 T C 0.335 175.071 174.700 0.060 0.000 1.036 374 T CA -0.691 61.460 62.100 0.086 0.000 1.044 374 T CB 0.872 69.804 68.868 0.107 0.000 0.993 374 T HN 0.153 nan 8.240 nan 0.000 0.535 375 V N 0.502 120.417 119.914 0.002 0.000 2.823 375 V HA 0.874 4.994 4.120 0.001 0.000 0.312 375 V C 0.077 176.105 176.094 -0.110 0.000 1.072 375 V CA -0.892 61.376 62.300 -0.054 0.000 0.937 375 V CB 1.511 33.270 31.823 -0.107 0.000 1.013 375 V HN 1.437 nan 8.190 nan 0.000 0.430 376 A N 2.062 124.798 122.820 -0.140 0.000 2.593 376 A HA 0.915 5.235 4.320 0.001 0.000 0.290 376 A C -1.672 175.791 177.584 -0.201 0.000 1.126 376 A CA -0.484 51.460 52.037 -0.155 0.000 0.695 376 A CB 1.383 20.361 19.000 -0.037 0.000 1.290 376 A HN 0.521 nan 8.150 nan 0.000 0.414 377 F N 1.921 121.867 119.950 -0.008 0.000 2.404 377 F HA 0.351 4.879 4.527 0.001 0.000 0.345 377 F C 1.110 176.898 175.800 -0.021 0.000 1.110 377 F CA -0.430 57.562 58.000 -0.012 0.000 1.130 377 F CB 1.253 40.242 39.000 -0.018 0.000 1.129 377 F HN 0.761 nan 8.300 nan 0.000 0.500 378 N N -0.339 118.473 118.700 0.187 0.000 2.322 378 N HA 0.021 4.761 4.740 0.001 0.000 0.270 378 N C 0.929 176.481 175.510 0.070 0.000 1.286 378 N CA -0.094 53.008 53.050 0.088 0.000 0.948 378 N CB -0.416 38.105 38.487 0.057 0.000 1.164 378 N HN 0.544 nan 8.380 nan 0.000 0.551 379 T N -1.729 112.839 114.554 0.023 0.000 3.051 379 T HA 0.002 4.353 4.350 0.001 0.000 0.269 379 T C 0.266 174.961 174.700 -0.008 0.000 1.127 379 T CA 0.799 62.898 62.100 -0.002 0.000 1.107 379 T CB -0.655 68.203 68.868 -0.016 0.000 0.898 379 T HN 0.435 nan 8.240 nan 0.000 0.517 380 N N 0.440 119.145 118.700 0.007 0.000 2.279 380 N HA 0.270 5.010 4.740 0.001 0.000 0.226 380 N C 1.178 176.686 175.510 -0.003 0.000 1.126 380 N CA 0.623 53.671 53.050 -0.003 0.000 0.846 380 N CB 0.298 38.788 38.487 0.005 0.000 1.050 380 N HN 0.506 nan 8.380 nan 0.000 0.502 381 G N 0.630 109.425 108.800 -0.008 0.000 2.155 381 G HA2 -0.288 3.673 3.960 0.001 0.000 0.257 381 G HA3 -0.288 3.673 3.960 0.001 0.000 0.257 381 G C -0.214 174.756 174.900 0.116 0.000 0.983 381 G CA 0.097 45.162 45.100 -0.058 0.000 0.676 381 G HN 0.445 nan 8.290 nan 0.000 0.528 382 E N -0.071 120.234 120.200 0.176 0.000 2.216 382 E HA 0.567 4.918 4.350 0.001 0.000 0.279 382 E C 0.676 177.422 176.600 0.244 0.000 0.997 382 E CA -0.716 55.798 56.400 0.191 0.000 0.817 382 E CB 0.956 30.713 29.700 0.096 0.000 1.096 382 E HN 0.327 nan 8.360 nan 0.000 0.393 383 M N 2.770 122.471 119.600 0.168 0.000 2.217 383 M HA 0.211 4.692 4.480 0.001 0.000 0.354 383 M C -0.229 176.063 176.300 -0.013 0.000 1.225 383 M CA -0.385 54.895 55.300 -0.033 0.000 1.137 383 M CB 0.647 33.173 32.600 -0.124 0.000 1.576 383 M HN 0.371 nan 8.290 nan 0.000 0.461 384 V N 0.432 120.322 119.914 -0.039 0.000 3.007 384 V HA 0.929 5.049 4.120 0.001 0.000 0.311 384 V C -0.795 175.308 176.094 0.015 0.000 1.120 384 V CA -1.063 61.240 62.300 0.005 0.000 0.980 384 V CB 1.820 33.655 31.823 0.021 0.000 1.033 384 V HN 0.875 nan 8.190 nan 0.000 0.429 385 A N 3.904 126.767 122.820 0.072 0.000 2.412 385 A HA 0.868 5.188 4.320 0.001 0.000 0.334 385 A C -2.567 175.130 177.584 0.190 0.000 1.419 385 A CA -1.738 50.387 52.037 0.147 0.000 0.930 385 A CB 0.003 19.119 19.000 0.194 0.000 1.149 385 A HN 0.761 nan 8.150 nan 0.000 0.515 386 P HA 0.042 nan 4.420 nan 0.000 0.269 386 P C -0.045 177.241 177.300 -0.023 0.000 1.209 386 P CA -0.177 62.947 63.100 0.039 0.000 0.776 386 P CB 0.456 32.170 31.700 0.024 0.000 0.876 387 N N 0.911 119.471 118.700 -0.232 0.000 2.395 387 N HA 0.190 4.931 4.740 0.001 0.000 0.246 387 N C 1.283 176.645 175.510 -0.246 0.000 1.246 387 N CA 1.192 53.937 53.050 -0.508 0.000 0.879 387 N CB 0.020 38.292 38.487 -0.360 0.000 1.098 387 N HN 0.725 nan 8.380 nan 0.000 0.444 388 G N 0.081 108.764 108.800 -0.194 0.000 2.284 388 G HA2 -0.303 3.657 3.960 0.001 0.000 0.216 388 G HA3 -0.303 3.657 3.960 0.001 0.000 0.216 388 G C 0.193 175.284 174.900 0.317 0.000 1.009 388 G CA 0.096 45.201 45.100 0.007 0.000 0.625 388 G HN 0.767 nan 8.290 nan 0.000 0.501 389 S N 0.508 116.506 115.700 0.498 0.000 2.576 389 S HA 0.438 4.908 4.470 0.001 0.000 0.272 389 S C 1.540 176.472 174.600 0.553 0.000 1.352 389 S CA 0.295 58.775 58.200 0.467 0.000 1.021 389 S CB 1.306 64.742 63.200 0.392 0.000 0.887 389 S HN 0.979 nan 8.310 nan 0.000 0.542 390 I N 2.714 123.538 120.570 0.423 0.000 2.315 390 I HA -0.043 4.128 4.170 0.001 0.000 0.251 390 I C 2.293 178.523 176.117 0.187 0.000 1.125 390 I CA 1.888 63.384 61.300 0.327 0.000 1.392 390 I CB -1.129 37.025 38.000 0.256 0.000 1.065 390 I HN 0.953 nan 8.210 nan 0.000 0.424 391 G N -0.486 108.428 108.800 0.190 0.000 2.450 391 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 391 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 391 G C 1.473 176.329 174.900 -0.074 0.000 1.130 391 G CA 0.775 45.900 45.100 0.042 0.000 0.760 391 G HN 0.457 nan 8.290 nan 0.000 0.557 392 F N -0.070 119.964 119.950 0.140 0.000 2.661 392 F HA 0.231 4.759 4.527 0.001 0.000 0.298 392 F C 2.567 178.334 175.800 -0.055 0.000 1.137 392 F CA 0.447 58.513 58.000 0.109 0.000 1.454 392 F CB 0.087 39.217 39.000 0.217 0.000 1.103 392 F HN 0.016 nan 8.300 nan 0.000 0.577 393 R N -0.431 119.947 120.500 -0.203 0.000 2.090 393 R HA -0.093 4.247 4.340 0.001 0.000 0.228 393 R C -0.447 175.325 176.300 -0.880 0.000 1.110 393 R CA 0.969 56.495 56.100 -0.956 0.000 0.973 393 R CB 0.069 29.350 30.300 -1.698 0.000 0.869 393 R HN 0.227 nan 8.270 nan 0.000 0.440 394 W N -1.396 119.821 121.300 -0.138 0.000 2.761 394 W HA 0.462 5.122 4.660 0.001 0.000 0.340 394 W C 0.747 177.205 176.519 -0.102 0.000 1.072 394 W CA -0.255 57.013 57.345 -0.129 0.000 1.215 394 W CB 1.791 31.161 29.460 -0.150 0.000 1.420 394 W HN 0.206 nan 8.180 nan 0.000 0.519 395 G N 0.597 109.477 108.800 0.132 0.000 2.176 395 G HA2 -0.240 3.721 3.960 0.001 0.000 0.253 395 G HA3 -0.240 3.721 3.960 0.001 0.000 0.253 395 G C -0.124 174.787 174.900 0.018 0.000 0.979 395 G CA 0.458 45.594 45.100 0.060 0.000 0.641 395 G HN 0.695 nan 8.290 nan 0.000 0.530 396 E N -1.552 118.639 120.200 -0.014 0.000 2.447 396 E HA 0.757 5.108 4.350 0.001 0.000 0.279 396 E C -1.093 175.464 176.600 -0.072 0.000 1.053 396 E CA -1.320 55.074 56.400 -0.009 0.000 0.840 396 E CB 1.029 30.768 29.700 0.065 0.000 1.409 396 E HN 0.173 nan 8.360 nan 0.000 0.461 397 K N -0.783 119.592 120.400 -0.042 0.000 2.443 397 K HA 0.603 4.923 4.320 0.001 0.000 0.251 397 K C 0.199 176.808 176.600 0.015 0.000 0.972 397 K CA -0.522 55.721 56.287 -0.072 0.000 0.833 397 K CB 1.914 34.355 32.500 -0.098 0.000 1.317 397 K HN 0.881 nan 8.250 nan 0.000 0.441 398 G N 0.944 109.768 108.800 0.039 0.000 2.184 398 G HA2 -0.267 3.693 3.960 0.001 0.000 0.264 398 G HA3 -0.267 3.693 3.960 0.001 0.000 0.264 398 G C 0.536 175.465 174.900 0.049 0.000 0.975 398 G CA 0.385 45.518 45.100 0.055 0.000 0.642 398 G HN 0.460 nan 8.290 nan 0.000 0.536 399 K N -1.317 119.129 120.400 0.077 0.000 2.374 399 K HA 0.157 4.477 4.320 0.001 0.000 0.202 399 K C 0.295 176.873 176.600 -0.037 0.000 1.040 399 K CA -0.508 55.745 56.287 -0.056 0.000 1.085 399 K CB 0.413 32.837 32.500 -0.128 0.000 0.873 399 K HN 0.374 nan 8.250 nan 0.000 0.539 400 W N 4.625 125.907 121.300 -0.031 0.000 1.664 400 W HA 0.087 4.747 4.660 0.001 0.000 0.428 400 W C -0.287 176.232 176.519 -0.001 0.000 0.726 400 W CA -0.629 56.725 57.345 0.015 0.000 1.774 400 W CB -0.688 28.821 29.460 0.081 0.000 1.801 400 W HN 0.140 nan 8.180 nan 0.000 0.243 401 N N 0.183 118.754 118.700 -0.216 0.000 2.853 401 N HA 0.376 5.116 4.740 0.001 0.000 0.258 401 N C -0.899 174.465 175.510 -0.244 0.000 1.444 401 N CA -0.867 52.030 53.050 -0.254 0.000 0.837 401 N CB 0.974 39.394 38.487 -0.111 0.000 1.489 401 N HN 0.037 nan 8.380 nan 0.000 0.529 402 L N -0.398 120.709 121.223 -0.194 0.000 2.848 402 L HA 0.301 4.642 4.340 0.001 0.000 0.240 402 L C -0.258 176.539 176.870 -0.123 0.000 1.232 402 L CA -0.190 54.568 54.840 -0.137 0.000 1.031 402 L CB -0.596 41.419 42.059 -0.074 0.000 1.338 402 L HN 0.511 nan 8.230 nan 0.000 0.509 403 E N 0.910 121.037 120.200 -0.121 0.000 2.373 403 E HA 0.052 4.402 4.350 0.001 0.000 0.267 403 E C -0.122 176.408 176.600 -0.118 0.000 1.032 403 E CA -0.365 55.970 56.400 -0.107 0.000 0.889 403 E CB 0.613 30.257 29.700 -0.093 0.000 0.984 403 E HN 0.073 nan 8.360 nan 0.000 0.425 404 Q N 3.504 123.235 119.800 -0.114 0.000 2.664 404 Q HA 0.172 4.513 4.340 0.001 0.000 0.223 404 Q C -0.404 175.546 176.000 -0.083 0.000 1.298 404 Q CA 0.478 56.217 55.803 -0.105 0.000 0.965 404 Q CB -0.097 28.575 28.738 -0.110 0.000 1.510 404 Q HN 0.320 nan 8.270 nan 0.000 0.567 405 R N 0.201 120.649 120.500 -0.088 0.000 2.836 405 R HA 0.350 4.690 4.340 0.001 0.000 0.269 405 R C -0.647 175.612 176.300 -0.068 0.000 1.010 405 R CA -0.943 55.113 56.100 -0.074 0.000 0.930 405 R CB 1.564 31.813 30.300 -0.084 0.000 1.218 405 R HN 0.277 nan 8.270 nan 0.000 0.473 406 D N 0.508 120.884 120.400 -0.040 0.000 2.348 406 D HA 0.038 4.678 4.640 0.001 0.000 0.253 406 D C 0.791 177.082 176.300 -0.014 0.000 1.161 406 D CA 0.291 54.285 54.000 -0.010 0.000 0.876 406 D CB 1.593 42.398 40.800 0.007 0.000 1.160 406 D HN 0.749 nan 8.370 nan 0.000 0.459 407 G N 3.638 112.456 108.800 0.030 0.000 2.559 407 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 407 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 407 G C 1.389 176.391 174.900 0.171 0.000 1.126 407 G CA 0.613 45.760 45.100 0.078 0.000 0.778 407 G HN 0.388 nan 8.290 nan 0.000 0.543 408 K N 0.500 120.968 120.400 0.113 0.000 2.266 408 K HA 0.024 4.344 4.320 0.001 0.000 0.209 408 K C 2.591 179.225 176.600 0.057 0.000 1.065 408 K CA 1.525 57.870 56.287 0.096 0.000 0.946 408 K CB -0.584 31.964 32.500 0.081 0.000 1.069 408 K HN 0.114 nan 8.250 nan 0.000 0.472 409 T N -2.539 112.038 114.554 0.038 0.000 3.055 409 T HA 0.150 4.500 4.350 0.001 0.000 0.265 409 T C 1.464 176.171 174.700 0.011 0.000 1.111 409 T CA 0.888 63.001 62.100 0.023 0.000 1.118 409 T CB -0.354 68.525 68.868 0.017 0.000 0.909 409 T HN 0.450 nan 8.240 nan 0.000 0.501 410 G N 1.086 109.888 108.800 0.003 0.000 2.162 410 G HA2 -0.227 3.733 3.960 0.001 0.000 0.260 410 G HA3 -0.227 3.733 3.960 0.001 0.000 0.260 410 G C -0.081 174.807 174.900 -0.021 0.000 0.976 410 G CA 0.259 45.350 45.100 -0.014 0.000 0.655 410 G HN 0.619 nan 8.290 nan 0.000 0.533 411 E N 0.709 120.901 120.200 -0.015 0.000 2.314 411 E HA 0.359 4.709 4.350 0.001 0.000 0.262 411 E C 0.471 177.056 176.600 -0.025 0.000 1.093 411 E CA -0.432 55.958 56.400 -0.017 0.000 0.908 411 E CB 0.721 30.416 29.700 -0.008 0.000 1.091 411 E HN 0.585 nan 8.360 nan 0.000 0.425 412 E N 0.751 120.935 120.200 -0.027 0.000 2.354 412 E HA 0.206 4.557 4.350 0.001 0.000 0.269 412 E C -0.060 176.523 176.600 -0.028 0.000 1.036 412 E CA 0.007 56.387 56.400 -0.034 0.000 0.876 412 E CB 0.948 30.628 29.700 -0.034 0.000 1.009 412 E HN 0.488 nan 8.360 nan 0.000 0.416 413 T N -0.461 114.073 114.554 -0.033 0.000 2.838 413 T HA 0.482 4.832 4.350 0.001 0.000 0.292 413 T C -0.843 173.836 174.700 -0.035 0.000 1.113 413 T CA -1.056 61.029 62.100 -0.025 0.000 1.008 413 T CB 1.844 70.704 68.868 -0.014 0.000 1.259 413 T HN 0.432 nan 8.240 nan 0.000 0.520 414 E N 0.641 120.824 120.200 -0.028 0.000 2.241 414 E HA 0.534 4.884 4.350 0.001 0.000 0.263 414 E C -1.042 175.541 176.600 -0.027 0.000 0.882 414 E CA -0.831 55.546 56.400 -0.038 0.000 0.769 414 E CB 1.212 30.890 29.700 -0.037 0.000 1.185 414 E HN 0.612 nan 8.360 nan 0.000 0.415 415 L N 3.514 124.714 121.223 -0.038 0.000 2.349 415 L HA 0.251 4.592 4.340 0.001 0.000 0.275 415 L C 0.326 177.179 176.870 -0.029 0.000 1.115 415 L CA -0.387 54.440 54.840 -0.021 0.000 0.820 415 L CB 0.965 43.005 42.059 -0.031 0.000 1.135 415 L HN 0.604 nan 8.230 nan 0.000 0.445 416 Q N 1.768 121.571 119.800 0.006 0.000 2.286 416 Q HA 0.258 4.599 4.340 0.001 0.000 0.257 416 Q C 0.100 176.065 176.000 -0.058 0.000 0.941 416 Q CA -0.065 55.727 55.803 -0.017 0.000 0.912 416 Q CB 1.420 30.181 28.738 0.038 0.000 1.192 416 Q HN 0.594 nan 8.270 nan 0.000 0.410 417 L N 1.579 122.695 121.223 -0.177 0.000 2.117 417 L HA 0.178 4.519 4.340 0.001 0.000 0.200 417 L C 0.846 177.558 176.870 -0.263 0.000 1.110 417 L CA 0.204 54.829 54.840 -0.358 0.000 0.774 417 L CB -0.275 41.312 42.059 -0.787 0.000 0.934 417 L HN 0.571 nan 8.230 nan 0.000 0.456 418 S N -0.547 114.994 115.700 -0.265 0.000 2.554 418 S HA 0.314 4.785 4.470 0.001 0.000 0.278 418 S C 0.610 175.220 174.600 0.016 0.000 1.242 418 S CA -0.601 57.613 58.200 0.023 0.000 1.051 418 S CB 1.040 64.317 63.200 0.128 0.000 0.986 418 S HN 0.217 nan 8.310 nan 0.000 0.502 419 L N 3.457 124.711 121.223 0.052 0.000 2.558 419 L HA 0.276 4.616 4.340 0.001 0.000 0.225 419 L C 0.579 177.443 176.870 -0.011 0.000 1.128 419 L CA -0.075 54.765 54.840 -0.001 0.000 0.868 419 L CB -0.126 41.945 42.059 0.020 0.000 1.006 419 L HN 0.548 nan 8.230 nan 0.000 0.454 420 L N 1.023 122.258 121.223 0.021 0.000 2.513 420 L HA 0.258 4.599 4.340 0.001 0.000 0.272 420 L C 1.059 177.923 176.870 -0.009 0.000 1.187 420 L CA 1.264 56.112 54.840 0.013 0.000 0.895 420 L CB 0.436 42.517 42.059 0.035 0.000 1.147 420 L HN 0.268 nan 8.230 nan 0.000 0.483 421 G N 2.542 111.331 108.800 -0.018 0.000 2.159 421 G HA2 -0.225 3.736 3.960 0.001 0.000 0.227 421 G HA3 -0.225 3.736 3.960 0.001 0.000 0.227 421 G C 0.410 175.284 174.900 -0.045 0.000 0.986 421 G CA 0.475 45.559 45.100 -0.027 0.000 0.651 421 G HN 1.594 nan 8.290 nan 0.000 0.523 422 S N -0.622 115.043 115.700 -0.058 0.000 2.967 422 S HA 0.303 4.773 4.470 0.001 0.000 0.236 422 S C 0.404 174.944 174.600 -0.101 0.000 0.804 422 S CA 0.721 58.869 58.200 -0.087 0.000 1.223 422 S CB -0.078 63.050 63.200 -0.120 0.000 1.268 422 S HN 1.199 nan 8.310 nan 0.000 0.573 423 Q N 1.256 121.016 119.800 -0.067 0.000 2.396 423 Q HA 0.396 4.737 4.340 0.001 0.000 0.221 423 Q C -0.580 175.390 176.000 -0.049 0.000 1.025 423 Q CA 0.009 55.778 55.803 -0.058 0.000 0.946 423 Q CB 0.443 29.164 28.738 -0.027 0.000 1.224 423 Q HN 0.174 nan 8.270 nan 0.000 0.539 424 D N -0.073 120.303 120.400 -0.040 0.000 2.355 424 D HA 0.056 4.697 4.640 0.001 0.000 0.206 424 D C 0.159 176.450 176.300 -0.016 0.000 1.010 424 D CA 0.802 54.785 54.000 -0.029 0.000 0.875 424 D CB 0.756 41.541 40.800 -0.024 0.000 0.966 424 D HN 0.705 nan 8.370 nan 0.000 0.512 425 E N -0.803 119.389 120.200 -0.013 0.000 2.429 425 E HA 0.395 4.745 4.350 0.001 0.000 0.277 425 E C -1.429 175.173 176.600 0.004 0.000 1.130 425 E CA -0.765 55.635 56.400 -0.001 0.000 0.875 425 E CB 0.868 30.570 29.700 0.004 0.000 1.443 425 E HN -0.194 nan 8.360 nan 0.000 0.444 426 I N 0.985 121.568 120.570 0.022 0.000 2.410 426 I HA 0.629 4.799 4.170 0.001 0.000 0.286 426 I C -0.636 175.520 176.117 0.065 0.000 1.009 426 I CA -0.764 60.558 61.300 0.036 0.000 1.111 426 I CB 1.601 39.625 38.000 0.040 0.000 1.262 426 I HN 0.719 nan 8.210 nan 0.000 0.443 427 A N 5.727 128.588 122.820 0.068 0.000 2.311 427 A HA 0.633 4.953 4.320 0.001 0.000 0.334 427 A C -0.510 177.203 177.584 0.215 0.000 1.139 427 A CA -0.588 51.537 52.037 0.146 0.000 0.830 427 A CB 1.026 20.013 19.000 -0.022 0.000 1.234 427 A HN 0.704 nan 8.150 nan 0.000 0.483 428 E N 0.543 120.931 120.200 0.313 0.000 2.146 428 E HA 0.465 4.816 4.350 0.001 0.000 0.282 428 E C -1.148 175.688 176.600 0.394 0.000 0.989 428 E CA -0.366 56.205 56.400 0.284 0.000 0.799 428 E CB 1.620 31.443 29.700 0.206 0.000 1.088 428 E HN 0.373 nan 8.360 nan 0.000 0.397 429 V N 2.247 122.397 119.914 0.394 0.000 2.581 429 V HA 0.479 4.600 4.120 0.001 0.000 0.303 429 V C 0.572 176.956 176.094 0.484 0.000 1.041 429 V CA -0.842 61.719 62.300 0.435 0.000 0.907 429 V CB 1.913 33.965 31.823 0.382 0.000 0.994 429 V HN 0.760 nan 8.190 nan 0.000 0.442 430 G N 2.454 111.493 108.800 0.398 0.000 2.356 430 G HA2 0.620 4.581 3.960 0.001 0.000 0.298 430 G HA3 0.620 4.581 3.960 0.001 0.000 0.298 430 G C -1.298 173.730 174.900 0.212 0.000 1.145 430 G CA -0.105 45.166 45.100 0.286 0.000 0.850 430 G HN 0.350 nan 8.290 nan 0.000 0.487 431 F N 1.468 121.461 119.950 0.070 0.000 2.529 431 F HA 0.442 4.969 4.527 0.001 0.000 0.320 431 F C -2.126 173.677 175.800 0.004 0.000 1.118 431 F CA -2.383 55.671 58.000 0.091 0.000 0.915 431 F CB 2.710 41.808 39.000 0.163 0.000 1.161 431 F HN 0.208 nan 8.300 nan 0.000 0.445 432 P HA 0.091 nan 4.420 nan 0.000 0.271 432 P C -1.570 175.610 177.300 -0.199 0.000 1.218 432 P CA 0.060 63.064 63.100 -0.160 0.000 0.780 432 P CB 0.430 32.033 31.700 -0.161 0.000 0.901 433 Y N 2.801 122.748 120.300 -0.589 0.000 2.331 433 Y HA 0.431 4.982 4.550 0.001 0.000 0.326 433 Y C -0.771 174.836 175.900 -0.489 0.000 1.020 433 Y CA -0.705 57.170 58.100 -0.375 0.000 1.136 433 Y CB 0.751 39.091 38.460 -0.200 0.000 1.157 433 Y HN 0.264 nan 8.280 nan 0.000 0.444 434 F N 2.638 122.302 119.950 -0.476 0.000 2.661 434 F HA 0.318 4.845 4.527 0.001 0.000 0.306 434 F C 1.891 177.423 175.800 -0.446 0.000 1.094 434 F CA 0.305 58.084 58.000 -0.368 0.000 1.254 434 F CB 0.643 39.494 39.000 -0.247 0.000 1.040 434 F HN 0.776 nan 8.300 nan 0.000 0.562 435 G N 0.379 108.681 108.800 -0.830 0.000 2.586 435 G HA2 -0.056 3.905 3.960 0.001 0.000 0.215 435 G HA3 -0.056 3.905 3.960 0.001 0.000 0.215 435 G C 1.650 176.629 174.900 0.133 0.000 1.128 435 G CA 0.902 45.939 45.100 -0.105 0.000 0.774 435 G HN 0.502 nan 8.290 nan 0.000 0.543 436 G N -0.503 108.331 108.800 0.058 0.000 3.377 436 G HA2 0.250 4.211 3.960 0.001 0.000 0.257 436 G HA3 0.250 4.211 3.960 0.001 0.000 0.257 436 G C 0.505 175.477 174.900 0.121 0.000 1.038 436 G CA -0.000 45.212 45.100 0.187 0.000 0.809 436 G HN 0.214 nan 8.290 nan 0.000 0.526 437 D N 1.041 121.495 120.400 0.091 0.000 2.340 437 D HA 0.155 4.795 4.640 0.001 0.000 0.217 437 D C 1.710 178.048 176.300 0.064 0.000 1.081 437 D CA -0.034 54.016 54.000 0.084 0.000 0.842 437 D CB 0.580 41.448 40.800 0.113 0.000 0.934 437 D HN 0.251 nan 8.370 nan 0.000 0.511 438 G N -0.001 108.848 108.800 0.082 0.000 2.647 438 G HA2 0.147 4.108 3.960 0.001 0.000 0.271 438 G HA3 0.147 4.108 3.960 0.001 0.000 0.271 438 G C 0.336 175.294 174.900 0.096 0.000 1.300 438 G CA -0.061 45.092 45.100 0.088 0.000 0.997 438 G HN 0.031 nan 8.290 nan 0.000 0.533 439 T N -0.758 113.891 114.554 0.157 0.000 2.902 439 T HA 0.241 4.591 4.350 0.001 0.000 0.280 439 T C 1.610 176.364 174.700 0.089 0.000 0.992 439 T CA 0.107 62.280 62.100 0.123 0.000 1.015 439 T CB 1.134 70.115 68.868 0.188 0.000 1.044 439 T HN 0.673 nan 8.240 nan 0.000 0.520 440 E N 0.746 120.884 120.200 -0.103 0.000 2.515 440 E HA -0.142 4.208 4.350 0.001 0.000 0.201 440 E C 0.602 177.048 176.600 -0.258 0.000 1.071 440 E CA 1.106 57.394 56.400 -0.187 0.000 0.880 440 E CB -0.072 29.465 29.700 -0.270 0.000 0.828 440 E HN 0.588 nan 8.360 nan 0.000 0.540 441 H N -0.580 118.485 119.070 -0.008 0.000 2.575 441 H HA 0.227 4.784 4.556 0.000 0.000 0.267 441 H C -0.467 174.595 175.328 -0.443 0.000 0.966 441 H CA 0.203 56.139 56.048 -0.188 0.000 1.165 441 H CB 0.201 29.815 29.762 -0.246 0.000 1.433 441 H HN 0.123 nan 8.280 nan 0.000 0.544 442 F N 0.913 120.963 119.950 0.166 0.000 2.540 442 F HA 0.259 4.787 4.527 0.001 0.000 0.317 442 F C 0.437 176.282 175.800 0.074 0.000 1.104 442 F CA -1.203 56.878 58.000 0.135 0.000 0.913 442 F CB 1.056 40.149 39.000 0.155 0.000 1.170 442 F HN -0.209 nan 8.300 nan 0.000 0.450 443 N N 3.297 122.111 118.700 0.190 0.000 2.458 443 N HA 0.107 4.847 4.740 0.001 0.000 0.258 443 N C -0.446 175.124 175.510 0.099 0.000 1.219 443 N CA 0.059 53.165 53.050 0.093 0.000 0.902 443 N CB 0.906 39.404 38.487 0.019 0.000 1.076 443 N HN 0.681 nan 8.380 nan 0.000 0.455 444 K N -0.912 119.539 120.400 0.085 0.000 2.350 444 K HA 0.657 4.978 4.320 0.001 0.000 0.241 444 K C -1.202 175.454 176.600 0.093 0.000 0.994 444 K CA -0.903 55.451 56.287 0.112 0.000 0.839 444 K CB 1.393 33.978 32.500 0.142 0.000 1.244 444 K HN 0.050 nan 8.250 nan 0.000 0.443 445 V N 1.949 121.973 119.914 0.182 0.000 2.409 445 V HA 0.195 4.316 4.120 0.001 0.000 0.290 445 V C -0.954 175.355 176.094 0.358 0.000 1.017 445 V CA -0.794 61.646 62.300 0.233 0.000 0.841 445 V CB 1.171 33.163 31.823 0.282 0.000 1.003 445 V HN 0.787 nan 8.190 nan 0.000 0.426 446 E N 4.921 125.254 120.200 0.221 0.000 2.289 446 E HA 0.607 4.958 4.350 0.001 0.000 0.278 446 E C -0.338 176.330 176.600 0.112 0.000 1.032 446 E CA -0.103 56.417 56.400 0.201 0.000 0.854 446 E CB 1.580 31.349 29.700 0.116 0.000 1.046 446 E HN 0.527 nan 8.360 nan 0.000 0.409 447 L N 1.311 122.576 121.223 0.070 0.000 3.055 447 L HA 0.404 4.745 4.340 0.001 0.000 0.222 447 L C -0.365 176.450 176.870 -0.091 0.000 1.784 447 L CA -0.713 54.044 54.840 -0.139 0.000 2.363 447 L CB 0.551 42.297 42.059 -0.522 0.000 2.232 447 L HN 0.380 nan 8.230 nan 0.000 0.645 448 E N 0.255 120.359 120.200 -0.160 0.000 2.266 448 E HA 0.301 4.651 4.350 0.001 0.000 0.268 448 E C -0.494 176.110 176.600 0.007 0.000 0.879 448 E CA -0.388 55.962 56.400 -0.084 0.000 0.762 448 E CB 1.974 31.583 29.700 -0.151 0.000 1.199 448 E HN 0.312 nan 8.360 nan 0.000 0.422 449 N N 0.287 118.994 118.700 0.013 0.000 2.512 449 N HA -0.030 4.710 4.740 0.001 0.000 0.183 449 N C -0.348 175.119 175.510 -0.071 0.000 1.073 449 N CA 0.589 53.636 53.050 -0.006 0.000 0.911 449 N CB 0.526 38.996 38.487 -0.028 0.000 0.964 449 N HN 0.063 nan 8.380 nan 0.000 0.447 450 V N 2.232 122.096 119.914 -0.083 0.000 2.488 450 V HA 0.285 4.406 4.120 0.001 0.000 0.293 450 V C -0.540 175.470 176.094 -0.140 0.000 1.027 450 V CA -0.512 61.726 62.300 -0.104 0.000 0.862 450 V CB 2.044 33.769 31.823 -0.163 0.000 1.008 450 V HN 0.045 nan 8.190 nan 0.000 0.428 451 L N 5.767 126.931 121.223 -0.099 0.000 2.257 451 L HA 0.511 4.852 4.340 0.001 0.000 0.290 451 L C -0.277 176.477 176.870 -0.194 0.000 1.044 451 L CA -0.312 54.392 54.840 -0.227 0.000 0.810 451 L CB 1.110 42.982 42.059 -0.311 0.000 1.193 451 L HN 0.423 nan 8.230 nan 0.000 0.425 452 L N 4.235 125.300 121.223 -0.263 0.000 2.319 452 L HA 0.343 4.683 4.340 0.001 0.000 0.280 452 L C -0.086 176.622 176.870 -0.269 0.000 1.099 452 L CA -0.272 54.481 54.840 -0.145 0.000 0.828 452 L CB 0.275 42.252 42.059 -0.136 0.000 1.150 452 L HN 0.524 nan 8.230 nan 0.000 0.442 453 H N 2.917 122.027 119.070 0.066 0.000 2.572 453 H HA 0.289 4.845 4.556 0.001 0.000 0.359 453 H C -0.655 174.722 175.328 0.082 0.000 1.134 453 H CA -0.911 55.123 56.048 -0.023 0.000 1.187 453 H CB 2.242 31.861 29.762 -0.238 0.000 1.597 453 H HN 0.497 nan 8.280 nan 0.000 0.524 454 K N 3.313 123.815 120.400 0.171 0.000 2.248 454 K HA 0.400 4.721 4.320 0.001 0.000 0.281 454 K C -0.811 175.864 176.600 0.125 0.000 1.054 454 K CA -0.614 55.755 56.287 0.137 0.000 0.903 454 K CB 1.049 33.600 32.500 0.085 0.000 1.077 454 K HN 0.146 nan 8.250 nan 0.000 0.474 455 L N 4.265 125.569 121.223 0.134 0.000 2.342 455 L HA 0.523 4.864 4.340 0.001 0.000 0.271 455 L C -2.341 174.568 176.870 0.065 0.000 1.008 455 L CA -2.324 52.579 54.840 0.105 0.000 0.818 455 L CB 1.670 43.813 42.059 0.141 0.000 1.296 455 L HN 0.684 nan 8.230 nan 0.000 0.427 456 P HA 0.247 nan 4.420 nan 0.000 0.282 456 P C -0.779 176.534 177.300 0.022 0.000 1.262 456 P CA -0.145 62.972 63.100 0.029 0.000 0.773 456 P CB 1.703 33.420 31.700 0.028 0.000 0.879 457 V N 4.616 124.531 119.914 0.001 0.000 3.001 457 V HA 0.485 4.606 4.120 0.001 0.000 0.314 457 V C 0.188 176.274 176.094 -0.013 0.000 1.099 457 V CA -0.746 61.546 62.300 -0.014 0.000 0.989 457 V CB 2.658 34.440 31.823 -0.067 0.000 1.040 457 V HN 0.447 nan 8.190 nan 0.000 0.434 458 K N 1.633 122.039 120.400 0.010 0.000 2.371 458 K HA 0.572 4.893 4.320 0.001 0.000 0.251 458 K C -0.920 175.699 176.600 0.032 0.000 0.934 458 K CA -0.883 55.418 56.287 0.022 0.000 0.798 458 K CB 2.924 35.460 32.500 0.060 0.000 1.204 458 K HN 0.525 nan 8.250 nan 0.000 0.427 459 R N 2.886 123.398 120.500 0.020 0.000 2.349 459 R HA 0.485 4.825 4.340 0.001 0.000 0.299 459 R C -0.882 175.446 176.300 0.046 0.000 1.027 459 R CA -0.298 55.812 56.100 0.017 0.000 0.958 459 R CB 0.567 30.871 30.300 0.005 0.000 1.047 459 R HN 0.472 nan 8.270 nan 0.000 0.468 460 L N 2.586 123.832 121.223 0.038 0.000 2.371 460 L HA 0.412 4.753 4.340 0.001 0.000 0.262 460 L C -0.551 176.334 176.870 0.026 0.000 1.006 460 L CA -0.987 53.881 54.840 0.046 0.000 0.818 460 L CB 2.389 44.476 42.059 0.047 0.000 1.354 460 L HN 0.501 nan 8.230 nan 0.000 0.415 461 Q N 2.545 122.360 119.800 0.026 0.000 2.303 461 Q HA 0.560 4.901 4.340 0.001 0.000 0.257 461 Q C -1.097 174.909 176.000 0.012 0.000 0.941 461 Q CA -0.486 55.328 55.803 0.017 0.000 0.931 461 Q CB 2.074 30.823 28.738 0.018 0.000 1.215 461 Q HN 0.448 nan 8.270 nan 0.000 0.437 462 L N 0.791 122.018 121.223 0.007 0.000 2.399 462 L HA 0.349 4.690 4.340 0.001 0.000 0.265 462 L C 1.403 178.274 176.870 0.002 0.000 1.089 462 L CA -0.431 54.410 54.840 0.002 0.000 0.802 462 L CB 0.687 42.745 42.059 -0.001 0.000 1.180 462 L HN 0.751 nan 8.230 nan 0.000 0.454 463 A N 1.304 124.124 122.820 -0.001 0.000 1.958 463 A HA -0.235 4.086 4.320 0.001 0.000 0.221 463 A C 1.273 178.858 177.584 0.002 0.000 1.178 463 A CA 2.096 54.133 52.037 0.001 0.000 0.642 463 A CB -0.853 18.146 19.000 -0.002 0.000 0.816 463 A HN 0.945 nan 8.150 nan 0.000 0.453 464 D N -2.222 118.179 120.400 0.001 0.000 2.519 464 D HA 0.362 5.002 4.640 0.001 0.000 0.238 464 D C 1.048 177.350 176.300 0.004 0.000 1.192 464 D CA 0.570 54.571 54.000 0.002 0.000 0.835 464 D CB -0.840 39.961 40.800 0.001 0.000 0.975 464 D HN 0.642 nan 8.370 nan 0.000 0.490 465 G N 0.064 108.867 108.800 0.005 0.000 2.205 465 G HA2 -0.357 3.603 3.960 0.001 0.000 0.269 465 G HA3 -0.357 3.603 3.960 0.001 0.000 0.269 465 G C 0.599 175.503 174.900 0.007 0.000 0.977 465 G CA 0.889 45.992 45.100 0.006 0.000 0.652 465 G HN 0.864 nan 8.290 nan 0.000 0.539 466 S N -0.915 114.789 115.700 0.006 0.000 2.655 466 S HA 0.735 5.206 4.470 0.001 0.000 0.265 466 S C 0.192 174.797 174.600 0.009 0.000 1.240 466 S CA 0.514 58.718 58.200 0.008 0.000 0.986 466 S CB 1.932 65.137 63.200 0.007 0.000 0.985 466 S HN 0.471 nan 8.310 nan 0.000 0.562 467 T N 0.901 115.462 114.554 0.012 0.000 2.940 467 T HA 0.802 5.152 4.350 0.001 0.000 0.288 467 T C -0.490 174.216 174.700 0.010 0.000 1.033 467 T CA -0.235 61.873 62.100 0.012 0.000 1.033 467 T CB 1.348 70.225 68.868 0.015 0.000 1.079 467 T HN 1.163 nan 8.240 nan 0.000 0.496 468 A N 2.091 124.913 122.820 0.004 0.000 2.566 468 A HA 0.708 5.028 4.320 0.001 0.000 0.297 468 A C -1.482 176.087 177.584 -0.025 0.000 1.059 468 A CA -0.702 51.331 52.037 -0.007 0.000 0.691 468 A CB 1.026 20.023 19.000 -0.005 0.000 1.282 468 A HN 0.747 nan 8.150 nan 0.000 0.401 469 L N 2.168 123.351 121.223 -0.067 0.000 2.325 469 L HA 0.745 5.085 4.340 0.001 0.000 0.279 469 L C -0.079 176.745 176.870 -0.077 0.000 1.054 469 L CA -0.910 53.867 54.840 -0.105 0.000 0.804 469 L CB 1.562 43.465 42.059 -0.261 0.000 1.200 469 L HN 0.743 nan 8.230 nan 0.000 0.436 470 V N -0.476 119.419 119.914 -0.032 0.000 3.078 470 V HA 0.863 4.984 4.120 0.001 0.000 0.311 470 V C -0.635 175.472 176.094 0.023 0.000 1.138 470 V CA -0.358 61.937 62.300 -0.008 0.000 1.007 470 V CB 2.043 33.875 31.823 0.014 0.000 1.045 470 V HN 0.798 nan 8.190 nan 0.000 0.432 471 T N 0.961 115.523 114.554 0.012 0.000 2.787 471 T HA 0.734 5.085 4.350 0.001 0.000 0.297 471 T C -0.286 174.429 174.700 0.026 0.000 1.221 471 T CA 0.334 62.458 62.100 0.039 0.000 1.006 471 T CB 1.940 70.823 68.868 0.026 0.000 1.328 471 T HN 1.674 nan 8.240 nan 0.000 0.509 472 T N 0.056 114.647 114.554 0.062 0.000 2.934 472 T HA 0.490 4.841 4.350 0.001 0.000 0.283 472 T C 1.545 176.259 174.700 0.023 0.000 1.005 472 T CA -0.523 61.611 62.100 0.056 0.000 1.041 472 T CB 1.038 69.983 68.868 0.128 0.000 1.042 472 T HN 0.330 nan 8.240 nan 0.000 0.505 473 V N 1.214 121.121 119.914 -0.012 0.000 2.392 473 V HA -0.146 3.974 4.120 0.001 0.000 0.249 473 V C 2.075 178.222 176.094 0.087 0.000 1.059 473 V CA 1.906 64.188 62.300 -0.030 0.000 1.051 473 V CB -1.390 30.443 31.823 0.016 0.000 0.658 473 V HN 0.930 nan 8.190 nan 0.000 0.455 474 Y N 1.482 121.788 120.300 0.011 0.000 2.128 474 Y HA -0.284 4.267 4.550 0.001 0.000 0.284 474 Y C 2.447 178.351 175.900 0.007 0.000 1.154 474 Y CA 2.230 60.336 58.100 0.010 0.000 1.149 474 Y CB -0.308 38.156 38.460 0.007 0.000 0.976 474 Y HN 0.324 nan 8.280 nan 0.000 0.505 475 D N 0.034 120.520 120.400 0.143 0.000 2.117 475 D HA -0.175 4.465 4.640 0.001 0.000 0.198 475 D C 2.348 178.671 176.300 0.038 0.000 0.982 475 D CA 1.507 55.545 54.000 0.063 0.000 0.828 475 D CB -0.413 40.456 40.800 0.115 0.000 0.967 475 D HN 0.407 nan 8.370 nan 0.000 0.464 476 L N 0.693 121.968 121.223 0.087 0.000 2.046 476 L HA -0.156 4.185 4.340 0.001 0.000 0.208 476 L C 2.532 179.545 176.870 0.237 0.000 1.077 476 L CA 1.104 56.068 54.840 0.206 0.000 0.747 476 L CB -0.575 41.544 42.059 0.100 0.000 0.896 476 L HN 0.024 nan 8.230 nan 0.000 0.432 477 T N -0.070 114.556 114.554 0.120 0.000 2.708 477 T HA -0.153 4.198 4.350 0.001 0.000 0.266 477 T C 1.859 176.605 174.700 0.077 0.000 1.037 477 T CA 1.051 63.242 62.100 0.152 0.000 1.146 477 T CB -0.150 68.762 68.868 0.074 0.000 0.865 477 T HN 0.025 nan 8.240 nan 0.000 0.435 478 L N 1.103 122.221 121.223 -0.176 0.000 2.046 478 L HA 0.055 4.395 4.340 0.001 0.000 0.208 478 L C 2.722 179.477 176.870 -0.191 0.000 1.077 478 L CA 1.508 56.198 54.840 -0.251 0.000 0.747 478 L CB -1.248 40.595 42.059 -0.360 0.000 0.896 478 L HN 0.238 nan 8.230 nan 0.000 0.432 479 A N -0.581 122.097 122.820 -0.237 0.000 1.855 479 A HA -0.261 4.059 4.320 0.001 0.000 0.215 479 A C 2.202 179.264 177.584 -0.870 0.000 1.191 479 A CA 1.813 53.490 52.037 -0.600 0.000 0.613 479 A CB -0.874 17.809 19.000 -0.529 0.000 0.829 479 A HN 0.500 nan 8.150 nan 0.000 0.442 480 N N -1.290 117.145 118.700 -0.442 0.000 2.137 480 N HA -0.211 4.529 4.740 0.001 0.000 0.190 480 N C 1.285 176.765 175.510 -0.050 0.000 1.017 480 N CA 1.858 54.791 53.050 -0.194 0.000 0.859 480 N CB -0.503 38.165 38.487 0.302 0.000 1.002 480 N HN 0.545 nan 8.380 nan 0.000 0.428 481 Y N -0.456 119.830 120.300 -0.024 0.000 2.616 481 Y HA 0.166 4.717 4.550 0.001 0.000 0.296 481 Y C 1.612 177.579 175.900 0.112 0.000 1.154 481 Y CA 0.746 58.929 58.100 0.137 0.000 1.325 481 Y CB -0.188 38.298 38.460 0.042 0.000 1.007 481 Y HN 0.206 nan 8.280 nan 0.000 0.542 482 G N 0.810 109.585 108.800 -0.042 0.000 2.212 482 G HA2 -0.276 3.685 3.960 0.001 0.000 0.255 482 G HA3 -0.276 3.685 3.960 0.001 0.000 0.255 482 G C -0.393 174.541 174.900 0.056 0.000 1.062 482 G CA -0.155 44.913 45.100 -0.054 0.000 0.815 482 G HN 0.253 nan 8.290 nan 0.000 0.497 483 L N 0.211 121.393 121.223 -0.068 0.000 2.264 483 L HA 0.543 4.883 4.340 0.001 0.000 0.289 483 L C 0.611 177.436 176.870 -0.074 0.000 1.044 483 L CA -0.995 53.792 54.840 -0.089 0.000 0.807 483 L CB 1.413 43.350 42.059 -0.204 0.000 1.192 483 L HN 0.254 nan 8.230 nan 0.000 0.425 484 E N 3.351 123.533 120.200 -0.029 0.000 2.360 484 E HA 0.130 4.481 4.350 0.001 0.000 0.269 484 E C -0.226 176.354 176.600 -0.033 0.000 1.022 484 E CA 0.203 56.589 56.400 -0.022 0.000 0.887 484 E CB 0.649 30.345 29.700 -0.008 0.000 0.990 484 E HN 0.376 nan 8.360 nan 0.000 0.426 485 R N 3.168 123.652 120.500 -0.025 0.000 2.690 485 R HA 0.307 4.647 4.340 0.001 0.000 0.419 485 R C 0.620 176.914 176.300 -0.009 0.000 1.090 485 R CA 0.222 56.310 56.100 -0.019 0.000 1.064 485 R CB 0.653 30.942 30.300 -0.018 0.000 1.391 485 R HN 0.808 nan 8.270 nan 0.000 0.586 486 G N 0.535 109.330 108.800 -0.010 0.000 2.232 486 G HA2 -0.250 3.711 3.960 0.001 0.000 0.226 486 G HA3 -0.250 3.711 3.960 0.001 0.000 0.226 486 G C 0.308 175.206 174.900 -0.003 0.000 0.996 486 G CA -0.341 44.755 45.100 -0.007 0.000 0.626 486 G HN 0.128 nan 8.290 nan 0.000 0.509 487 L N -0.274 120.950 121.223 0.001 0.000 2.600 487 L HA 0.513 4.854 4.340 0.001 0.000 0.221 487 L C 0.823 177.695 176.870 0.004 0.000 1.197 487 L CA -0.487 54.357 54.840 0.007 0.000 0.838 487 L CB 0.229 42.298 42.059 0.016 0.000 1.474 487 L HN 0.120 nan 8.230 nan 0.000 0.514 488 N N 0.081 118.785 118.700 0.006 0.000 3.112 488 N HA 0.096 4.837 4.740 0.001 0.000 0.270 488 N C -1.196 174.313 175.510 -0.002 0.000 1.385 488 N CA -0.144 52.906 53.050 -0.001 0.000 0.986 488 N CB 0.124 38.609 38.487 -0.003 0.000 1.261 488 N HN 0.386 nan 8.380 nan 0.000 0.495 489 D N 1.137 121.539 120.400 0.002 0.000 2.232 489 D HA 0.067 4.707 4.640 0.001 0.000 0.242 489 D C 1.448 177.731 176.300 -0.028 0.000 1.093 489 D CA -0.312 53.687 54.000 -0.001 0.000 0.845 489 D CB 1.761 42.589 40.800 0.047 0.000 1.124 489 D HN 0.272 nan 8.370 nan 0.000 0.467 490 V N 1.942 121.819 119.914 -0.062 0.000 2.951 490 V HA 0.040 4.161 4.120 0.001 0.000 0.255 490 V C 1.245 177.272 176.094 -0.111 0.000 1.088 490 V CA 0.581 62.834 62.300 -0.077 0.000 1.109 490 V CB -0.255 31.518 31.823 -0.084 0.000 0.724 490 V HN 0.394 nan 8.190 nan 0.000 0.471 491 N N -0.071 118.528 118.700 -0.167 0.000 2.398 491 N HA 0.142 4.883 4.740 0.001 0.000 0.188 491 N C 0.420 175.886 175.510 -0.074 0.000 1.122 491 N CA 0.425 53.333 53.050 -0.236 0.000 0.866 491 N CB -0.062 38.092 38.487 -0.556 0.000 0.970 491 N HN 0.495 nan 8.380 nan 0.000 0.462 492 C N 0.545 119.847 119.300 0.003 0.000 2.325 492 C HA 0.725 5.185 4.460 0.001 0.000 0.370 492 C C 0.881 175.882 174.990 0.018 0.000 1.217 492 C CA -1.069 57.977 59.018 0.046 0.000 2.254 492 C CB 1.012 28.780 27.740 0.047 0.000 2.282 492 C HN 0.343 nan 8.230 nan 0.000 0.564 493 A N 0.781 123.639 122.820 0.064 0.000 2.331 493 A HA 0.499 4.820 4.320 0.001 0.000 0.283 493 A C 1.085 178.695 177.584 0.043 0.000 1.142 493 A CA 0.308 52.384 52.037 0.065 0.000 0.812 493 A CB 0.357 19.441 19.000 0.140 0.000 1.074 493 A HN 1.042 nan 8.150 nan 0.000 0.497 494 T N -0.891 113.672 114.554 0.015 0.000 3.009 494 T HA 0.258 4.608 4.350 0.001 0.000 0.258 494 T C 0.828 175.512 174.700 -0.025 0.000 1.063 494 T CA 0.994 63.090 62.100 -0.007 0.000 1.139 494 T CB -0.137 68.724 68.868 -0.012 0.000 0.890 494 T HN 0.987 nan 8.240 nan 0.000 0.471 495 S N -1.651 114.044 115.700 -0.009 0.000 2.625 495 S HA 0.499 4.970 4.470 0.001 0.000 0.271 495 S C -0.644 173.989 174.600 0.055 0.000 1.161 495 S CA -0.746 57.424 58.200 -0.049 0.000 0.820 495 S CB 0.550 63.732 63.200 -0.031 0.000 1.137 495 S HN 0.065 nan 8.310 nan 0.000 0.470 496 Y N 1.283 121.619 120.300 0.060 0.000 2.497 496 Y HA 0.050 4.600 4.550 0.001 0.000 0.292 496 Y C 1.812 177.727 175.900 0.024 0.000 1.137 496 Y CA 0.823 58.950 58.100 0.045 0.000 1.285 496 Y CB -0.310 38.191 38.460 0.070 0.000 0.991 496 Y HN 0.564 nan 8.280 nan 0.000 0.556 497 D N -0.472 120.027 120.400 0.165 0.000 2.323 497 D HA -0.072 4.568 4.640 0.001 0.000 0.209 497 D C 0.177 176.521 176.300 0.073 0.000 0.973 497 D CA 0.514 54.575 54.000 0.102 0.000 0.874 497 D CB -0.141 40.701 40.800 0.070 0.000 0.930 497 D HN 0.265 nan 8.370 nan 0.000 0.521 498 D N 0.335 120.775 120.400 0.067 0.000 2.390 498 D HA -0.000 4.640 4.640 0.001 0.000 0.249 498 D C -0.178 176.152 176.300 0.049 0.000 1.144 498 D CA -0.197 53.828 54.000 0.041 0.000 0.880 498 D CB 1.117 41.932 40.800 0.025 0.000 1.182 498 D HN -0.288 nan 8.370 nan 0.000 0.451 499 V N 5.133 125.075 119.914 0.047 0.000 2.149 499 V HA 0.130 4.250 4.120 0.001 0.000 0.245 499 V C 0.419 176.528 176.094 0.026 0.000 1.349 499 V CA 0.091 62.442 62.300 0.086 0.000 1.289 499 V CB -0.563 31.314 31.823 0.090 0.000 1.401 499 V HN 0.379 nan 8.190 nan 0.000 0.501 500 K N 2.249 122.628 120.400 -0.035 0.000 2.350 500 K HA 0.773 5.093 4.320 0.001 0.000 0.241 500 K C 0.190 176.532 176.600 -0.431 0.000 0.994 500 K CA -0.635 55.538 56.287 -0.190 0.000 0.839 500 K CB 1.503 33.925 32.500 -0.131 0.000 1.244 500 K HN 0.418 nan 8.250 nan 0.000 0.443 501 A N 2.400 124.818 122.820 -0.670 0.000 2.509 501 A HA 0.085 4.405 4.320 0.001 0.000 0.282 501 A C -0.866 176.015 177.584 -1.170 0.000 1.159 501 A CA 0.584 51.867 52.037 -1.257 0.000 0.863 501 A CB -1.393 16.947 19.000 -1.100 0.000 1.029 501 A HN 0.651 nan 8.150 nan 0.000 0.542 502 Y N -0.437 119.276 120.300 -0.978 0.000 3.347 502 Y HA -0.200 4.350 4.550 0.001 0.000 0.206 502 Y C 0.848 176.599 175.900 -0.249 0.000 1.614 502 Y CA 0.322 58.093 58.100 -0.549 0.000 1.485 502 Y CB -2.872 35.351 38.460 -0.395 0.000 1.540 502 Y HN 1.066 nan 8.280 nan 0.000 0.530 503 T N -3.997 110.527 114.554 -0.049 0.000 2.949 503 T HA 0.669 5.019 4.350 0.001 0.000 0.287 503 T C -1.689 173.043 174.700 0.053 0.000 1.034 503 T CA -2.165 59.790 62.100 -0.241 0.000 1.018 503 T CB 3.093 71.879 68.868 -0.137 0.000 1.135 503 T HN -0.218 nan 8.240 nan 0.000 0.532 504 P HA -0.059 nan 4.420 nan 0.000 0.216 504 P C 1.666 179.004 177.300 0.063 0.000 1.153 504 P CA 1.649 64.756 63.100 0.011 0.000 0.858 504 P CB -0.279 31.378 31.700 -0.073 0.000 0.789 505 A N -1.662 121.209 122.820 0.086 0.000 1.972 505 A HA -0.192 4.128 4.320 0.001 0.000 0.219 505 A C 2.171 179.811 177.584 0.093 0.000 1.169 505 A CA 1.406 53.490 52.037 0.077 0.000 0.635 505 A CB -1.902 17.149 19.000 0.086 0.000 0.810 505 A HN 0.299 nan 8.150 nan 0.000 0.446 506 W N 0.581 121.863 121.300 -0.029 0.000 2.381 506 W HA -0.018 4.643 4.660 0.001 0.000 0.301 506 W C 2.295 178.803 176.519 -0.019 0.000 1.205 506 W CA 1.905 59.239 57.345 -0.017 0.000 1.285 506 W CB -0.180 29.271 29.460 -0.015 0.000 1.133 506 W HN 0.300 nan 8.180 nan 0.000 0.521 507 A N 0.143 122.964 122.820 0.003 0.000 1.969 507 A HA -0.211 4.110 4.320 0.001 0.000 0.218 507 A C 1.967 179.388 177.584 -0.272 0.000 1.169 507 A CA 1.754 53.624 52.037 -0.279 0.000 0.635 507 A CB -1.047 17.991 19.000 0.062 0.000 0.810 507 A HN 0.555 nan 8.150 nan 0.000 0.445 508 E N -0.203 119.910 120.200 -0.144 0.000 2.153 508 E HA -0.262 4.088 4.350 0.001 0.000 0.194 508 E C 2.028 178.532 176.600 -0.160 0.000 0.988 508 E CA 1.421 57.749 56.400 -0.120 0.000 0.811 508 E CB -0.142 29.521 29.700 -0.062 0.000 0.746 508 E HN 0.775 nan 8.360 nan 0.000 0.466 509 Q N -0.246 119.424 119.800 -0.217 0.000 2.137 509 Q HA -0.093 4.248 4.340 0.001 0.000 0.198 509 Q C 2.240 178.082 176.000 -0.264 0.000 0.960 509 Q CA 0.842 56.519 55.803 -0.210 0.000 0.847 509 Q CB 0.162 28.778 28.738 -0.204 0.000 0.915 509 Q HN 0.382 nan 8.270 nan 0.000 0.448 510 I N 0.571 120.864 120.570 -0.462 0.000 2.233 510 I HA -0.182 3.989 4.170 0.001 0.000 0.243 510 I C 2.562 178.524 176.117 -0.258 0.000 1.093 510 I CA 1.882 62.906 61.300 -0.460 0.000 1.380 510 I CB -1.384 36.064 38.000 -0.920 0.000 1.067 510 I HN 0.334 nan 8.210 nan 0.000 0.413 511 T N -2.139 112.262 114.554 -0.255 0.000 2.976 511 T HA 0.219 4.570 4.350 0.001 0.000 0.257 511 T C 1.676 176.322 174.700 -0.091 0.000 1.051 511 T CA 1.070 63.090 62.100 -0.134 0.000 1.141 511 T CB 0.370 69.165 68.868 -0.122 0.000 0.881 511 T HN 0.467 nan 8.240 nan 0.000 0.461 512 G N 0.569 109.304 108.800 -0.108 0.000 2.195 512 G HA2 -0.196 3.764 3.960 0.001 0.000 0.224 512 G HA3 -0.196 3.764 3.960 0.001 0.000 0.224 512 G C 0.063 174.904 174.900 -0.099 0.000 0.990 512 G CA -0.100 44.948 45.100 -0.087 0.000 0.639 512 G HN 0.742 nan 8.290 nan 0.000 0.514 513 V N 2.178 122.026 119.914 -0.109 0.000 2.488 513 V HA 0.550 4.670 4.120 0.001 0.000 0.277 513 V C 1.414 177.453 176.094 -0.091 0.000 1.046 513 V CA 0.370 62.599 62.300 -0.118 0.000 0.986 513 V CB 1.394 33.142 31.823 -0.126 0.000 0.989 513 V HN 0.828 nan 8.190 nan 0.000 0.475 514 S N 5.181 120.831 115.700 -0.083 0.000 2.573 514 S HA -0.029 4.441 4.470 0.001 0.000 0.297 514 S C 1.604 176.179 174.600 -0.041 0.000 1.280 514 S CA 0.304 58.471 58.200 -0.055 0.000 1.061 514 S CB 0.302 63.474 63.200 -0.046 0.000 0.812 514 S HN 0.863 nan 8.310 nan 0.000 0.500 515 R N 3.071 123.557 120.500 -0.023 0.000 2.120 515 R HA -0.087 4.253 4.340 0.001 0.000 0.234 515 R C 2.114 178.411 176.300 -0.004 0.000 1.123 515 R CA 1.901 57.995 56.100 -0.010 0.000 0.975 515 R CB -1.072 29.236 30.300 0.014 0.000 0.866 515 R HN 0.742 nan 8.270 nan 0.000 0.446 516 S N 0.551 116.255 115.700 0.006 0.000 2.399 516 S HA -0.133 4.338 4.470 0.001 0.000 0.231 516 S C 1.965 176.571 174.600 0.010 0.000 1.022 516 S CA 0.717 58.929 58.200 0.020 0.000 0.983 516 S CB -0.102 63.112 63.200 0.024 0.000 0.803 516 S HN 0.341 nan 8.310 nan 0.000 0.480 517 Q N 1.090 120.883 119.800 -0.011 0.000 2.083 517 Q HA 0.173 4.513 4.340 0.001 0.000 0.198 517 Q C 2.362 178.349 176.000 -0.021 0.000 0.969 517 Q CA 1.122 56.913 55.803 -0.020 0.000 0.838 517 Q CB -0.467 28.238 28.738 -0.054 0.000 0.900 517 Q HN 0.629 nan 8.270 nan 0.000 0.436 518 I N 0.463 121.013 120.570 -0.033 0.000 2.361 518 I HA -0.266 3.904 4.170 0.001 0.000 0.251 518 I C 2.153 178.255 176.117 -0.025 0.000 1.133 518 I CA 0.967 62.248 61.300 -0.030 0.000 1.413 518 I CB -0.201 37.784 38.000 -0.025 0.000 1.073 518 I HN 0.133 nan 8.210 nan 0.000 0.424 519 I N 0.119 120.670 120.570 -0.032 0.000 2.277 519 I HA -0.227 3.943 4.170 0.001 0.000 0.243 519 I C 2.783 178.924 176.117 0.039 0.000 1.094 519 I CA 0.934 62.213 61.300 -0.036 0.000 1.393 519 I CB -0.400 37.581 38.000 -0.031 0.000 1.078 519 I HN 0.148 nan 8.210 nan 0.000 0.417 520 R N 1.355 121.886 120.500 0.052 0.000 2.080 520 R HA -0.189 4.151 4.340 0.001 0.000 0.236 520 R C 2.308 178.663 176.300 0.091 0.000 1.137 520 R CA 1.738 57.885 56.100 0.080 0.000 0.943 520 R CB -0.082 30.261 30.300 0.073 0.000 0.846 520 R HN 0.186 nan 8.270 nan 0.000 0.431 521 I N 1.177 121.794 120.570 0.079 0.000 2.315 521 I HA -0.150 4.021 4.170 0.001 0.000 0.248 521 I C 2.531 178.696 176.117 0.080 0.000 1.117 521 I CA 1.357 62.722 61.300 0.109 0.000 1.404 521 I CB -1.551 36.500 38.000 0.085 0.000 1.071 521 I HN 0.305 nan 8.210 nan 0.000 0.419 522 A N 0.730 123.582 122.820 0.054 0.000 1.972 522 A HA -0.191 4.129 4.320 0.001 0.000 0.219 522 A C 2.500 180.142 177.584 0.097 0.000 1.169 522 A CA 1.279 53.347 52.037 0.052 0.000 0.635 522 A CB -0.464 18.566 19.000 0.050 0.000 0.810 522 A HN 0.324 nan 8.150 nan 0.000 0.446 523 R N -0.481 120.100 120.500 0.136 0.000 2.062 523 R HA -0.071 4.270 4.340 0.001 0.000 0.229 523 R C 2.158 178.517 176.300 0.098 0.000 1.128 523 R CA 1.436 57.670 56.100 0.223 0.000 0.960 523 R CB -0.323 30.130 30.300 0.256 0.000 0.855 523 R HN 0.659 nan 8.270 nan 0.000 0.432 524 E N 0.067 120.282 120.200 0.024 0.000 2.085 524 E HA -0.230 4.120 4.350 0.001 0.000 0.194 524 E C 1.748 178.068 176.600 -0.466 0.000 0.994 524 E CA 1.222 57.549 56.400 -0.122 0.000 0.801 524 E CB -0.202 29.482 29.700 -0.028 0.000 0.743 524 E HN 0.218 nan 8.360 nan 0.000 0.453 525 F N 1.494 121.033 119.950 -0.685 0.000 2.069 525 F HA -0.243 4.285 4.527 0.001 0.000 0.298 525 F C 2.350 177.908 175.800 -0.403 0.000 1.113 525 F CA 1.740 59.308 58.000 -0.719 0.000 1.214 525 F CB -0.279 38.513 39.000 -0.345 0.000 0.978 525 F HN -0.045 nan 8.300 nan 0.000 0.474 526 A N -0.540 122.203 122.820 -0.129 0.000 1.898 526 A HA -0.231 4.090 4.320 0.001 0.000 0.216 526 A C 1.877 179.233 177.584 -0.380 0.000 1.181 526 A CA 1.976 53.782 52.037 -0.385 0.000 0.620 526 A CB -1.209 17.207 19.000 -0.973 0.000 0.819 526 A HN 0.506 nan 8.150 nan 0.000 0.442 527 D N -0.195 120.042 120.400 -0.272 0.000 2.144 527 D HA -0.185 4.455 4.640 0.001 0.000 0.199 527 D C 1.867 178.163 176.300 -0.008 0.000 0.984 527 D CA 1.454 55.480 54.000 0.044 0.000 0.834 527 D CB -0.225 40.682 40.800 0.179 0.000 0.955 527 D HN 0.504 nan 8.370 nan 0.000 0.465 528 N N -0.121 118.505 118.700 -0.124 0.000 2.171 528 N HA -0.130 4.610 4.740 0.001 0.000 0.184 528 N C 1.732 177.194 175.510 -0.080 0.000 1.021 528 N CA 1.321 54.304 53.050 -0.112 0.000 0.854 528 N CB -0.117 38.257 38.487 -0.189 0.000 0.994 528 N HN 0.215 nan 8.380 nan 0.000 0.426 529 A N 0.529 123.289 122.820 -0.099 0.000 1.930 529 A HA -0.150 4.170 4.320 0.001 0.000 0.217 529 A C 1.985 179.733 177.584 0.274 0.000 1.175 529 A CA 1.735 53.803 52.037 0.053 0.000 0.627 529 A CB -0.721 18.288 19.000 0.016 0.000 0.815 529 A HN 0.472 nan 8.150 nan 0.000 0.443 530 D N -0.406 120.160 120.400 0.276 0.000 2.097 530 D HA -0.121 4.520 4.640 0.001 0.000 0.195 530 D C 1.864 178.183 176.300 0.032 0.000 0.989 530 D CA 1.509 55.525 54.000 0.027 0.000 0.827 530 D CB -0.098 40.615 40.800 -0.145 0.000 0.966 530 D HN 0.440 nan 8.370 nan 0.000 0.456 531 K N -1.169 119.240 120.400 0.015 0.000 2.366 531 K HA 0.010 4.331 4.320 0.001 0.000 0.198 531 K C 1.564 178.107 176.600 -0.095 0.000 1.044 531 K CA 1.349 57.616 56.287 -0.033 0.000 0.973 531 K CB 0.223 32.714 32.500 -0.017 0.000 0.767 531 K HN 0.289 nan 8.250 nan 0.000 0.475 532 T N -3.809 110.704 114.554 -0.069 0.000 3.010 532 T HA 0.065 4.416 4.350 0.001 0.000 0.257 532 T C 0.020 174.663 174.700 -0.095 0.000 1.020 532 T CA -0.391 61.649 62.100 -0.100 0.000 0.938 532 T CB -0.226 68.612 68.868 -0.050 0.000 1.049 532 T HN 0.292 nan 8.240 nan 0.000 0.522 533 H N 0.915 119.796 119.070 -0.314 0.000 2.889 533 H HA -0.106 4.450 4.556 0.001 0.000 0.324 533 H C 1.124 176.277 175.328 -0.293 0.000 1.274 533 H CA 0.193 55.785 56.048 -0.760 0.000 1.176 533 H CB -1.527 27.785 29.762 -0.750 0.000 1.479 533 H HN 0.877 nan 8.280 nan 0.000 0.438 534 G N 0.882 109.764 108.800 0.137 0.000 2.132 534 G HA2 -0.306 3.654 3.960 0.001 0.000 0.228 534 G HA3 -0.306 3.654 3.960 0.001 0.000 0.228 534 G C 0.492 175.429 174.900 0.061 0.000 1.000 534 G CA 0.132 45.330 45.100 0.163 0.000 0.693 534 G HN 0.543 nan 8.290 nan 0.000 0.515 535 R N 0.549 121.058 120.500 0.014 0.000 3.541 535 R HA 0.344 4.684 4.340 0.001 0.000 0.277 535 R C -0.051 176.213 176.300 -0.062 0.000 1.539 535 R CA 0.071 56.172 56.100 0.002 0.000 1.338 535 R CB 0.351 30.654 30.300 0.004 0.000 1.343 535 R HN 0.228 nan 8.270 nan 0.000 0.623 536 S N 1.446 117.056 115.700 -0.150 0.000 2.454 536 S HA 0.510 4.981 4.470 0.001 0.000 0.306 536 S C -0.549 173.995 174.600 -0.092 0.000 1.100 536 S CA -0.550 57.437 58.200 -0.354 0.000 1.087 536 S CB 1.963 64.479 63.200 -1.140 0.000 1.019 536 S HN 0.299 nan 8.310 nan 0.000 0.480 537 M N 4.029 123.675 119.600 0.077 0.000 2.572 537 M HA 0.628 5.109 4.480 0.001 0.000 0.299 537 M C -2.053 174.433 176.300 0.310 0.000 1.205 537 M CA -0.705 54.716 55.300 0.201 0.000 0.876 537 M CB 1.369 34.047 32.600 0.128 0.000 1.728 537 M HN 0.570 nan 8.290 nan 0.000 0.458 538 I N 4.937 125.665 120.570 0.263 0.000 2.439 538 I HA 0.372 4.543 4.170 0.001 0.000 0.285 538 I C -0.967 175.180 176.117 0.049 0.000 1.021 538 I CA -0.562 60.869 61.300 0.219 0.000 1.091 538 I CB 1.718 39.852 38.000 0.223 0.000 1.242 538 I HN 0.638 nan 8.210 nan 0.000 0.439 539 I N 7.032 127.606 120.570 0.007 0.000 2.312 539 I HA 0.326 4.496 4.170 0.001 0.000 0.291 539 I C -0.273 175.814 176.117 -0.051 0.000 1.031 539 I CA -0.416 60.829 61.300 -0.093 0.000 1.293 539 I CB 1.544 39.435 38.000 -0.181 0.000 1.403 539 I HN 0.272 nan 8.210 nan 0.000 0.484 540 V N 6.273 126.101 119.914 -0.144 0.000 2.823 540 V HA 0.922 5.042 4.120 0.001 0.000 0.312 540 V C 0.038 176.121 176.094 -0.020 0.000 1.072 540 V CA -0.022 62.226 62.300 -0.087 0.000 0.937 540 V CB 1.888 33.545 31.823 -0.277 0.000 1.013 540 V HN 0.841 nan 8.190 nan 0.000 0.430 541 G N 2.803 111.641 108.800 0.063 0.000 3.243 541 G HA2 0.610 4.571 3.960 0.001 0.000 0.248 541 G HA3 0.610 4.571 3.960 0.001 0.000 0.248 541 G C 0.716 175.657 174.900 0.068 0.000 1.267 541 G CA 0.085 45.206 45.100 0.035 0.000 0.906 541 G HN 1.243 nan 8.290 nan 0.000 0.592 542 A N -0.686 122.040 122.820 -0.157 0.000 2.121 542 A HA 0.194 4.514 4.320 0.001 0.000 0.218 542 A C 2.448 179.933 177.584 -0.164 0.000 1.154 542 A CA 2.154 53.962 52.037 -0.383 0.000 0.679 542 A CB -0.943 17.451 19.000 -1.011 0.000 0.795 542 A HN 1.251 nan 8.150 nan 0.000 0.458 543 G N -0.530 108.254 108.800 -0.027 0.000 2.475 543 G HA2 -0.123 3.837 3.960 0.001 0.000 0.220 543 G HA3 -0.123 3.837 3.960 0.001 0.000 0.220 543 G C 1.277 176.391 174.900 0.357 0.000 1.125 543 G CA 1.419 46.598 45.100 0.131 0.000 0.755 543 G HN 0.416 nan 8.290 nan 0.000 0.565 544 L N -0.775 120.648 121.223 0.333 0.000 2.467 544 L HA 0.341 4.682 4.340 0.001 0.000 0.213 544 L C 1.977 179.124 176.870 0.461 0.000 1.053 544 L CA 0.508 55.606 54.840 0.429 0.000 0.847 544 L CB -0.244 41.985 42.059 0.283 0.000 1.075 544 L HN 0.100 nan 8.230 nan 0.000 0.479 545 N N -1.029 117.877 118.700 0.344 0.000 2.550 545 N HA -0.098 4.643 4.740 0.001 0.000 0.186 545 N C 1.331 176.963 175.510 0.204 0.000 1.110 545 N CA 0.812 53.925 53.050 0.105 0.000 0.912 545 N CB -0.021 38.462 38.487 -0.007 0.000 0.968 545 N HN 0.438 nan 8.380 nan 0.000 0.448 546 H N -2.463 116.617 119.070 0.017 0.000 2.529 546 H HA 0.079 4.635 4.556 0.001 0.000 0.277 546 H C -0.370 174.860 175.328 -0.163 0.000 1.004 546 H CA -0.549 55.429 56.048 -0.116 0.000 1.167 546 H CB 0.346 29.996 29.762 -0.187 0.000 1.445 546 H HN 0.193 nan 8.280 nan 0.000 0.554 547 W N -0.260 121.083 121.300 0.073 0.000 2.283 547 W HA 0.026 4.687 4.660 0.001 0.000 0.341 547 W C 1.231 177.743 176.519 -0.013 0.000 1.206 547 W CA -0.605 56.769 57.345 0.048 0.000 1.294 547 W CB 0.356 29.853 29.460 0.062 0.000 1.154 547 W HN 0.076 nan 8.180 nan 0.000 0.613 548 Y N 0.800 121.160 120.300 0.099 0.000 2.224 548 Y HA -0.225 4.326 4.550 0.001 0.000 0.289 548 Y C 1.666 177.426 175.900 -0.233 0.000 1.146 548 Y CA 1.921 59.928 58.100 -0.155 0.000 1.182 548 Y CB -0.095 38.174 38.460 -0.318 0.000 0.983 548 Y HN 0.248 nan 8.280 nan 0.000 0.524 549 H N 1.526 120.653 119.070 0.094 0.000 2.579 549 H HA 0.161 4.717 4.556 0.001 0.000 0.289 549 H C 1.854 177.166 175.328 -0.026 0.000 1.270 549 H CA 0.395 56.409 56.048 -0.057 0.000 1.060 549 H CB -0.505 29.205 29.762 -0.087 0.000 1.554 549 H HN 0.514 nan 8.280 nan 0.000 0.515 550 L N -1.116 120.146 121.223 0.065 0.000 2.079 550 L HA -0.167 4.174 4.340 0.001 0.000 0.210 550 L C 1.624 178.486 176.870 -0.014 0.000 1.081 550 L CA 1.770 56.627 54.840 0.029 0.000 0.752 550 L CB -0.355 41.641 42.059 -0.106 0.000 0.896 550 L HN 0.036 nan 8.230 nan 0.000 0.433 551 D N 0.122 120.501 120.400 -0.035 0.000 2.182 551 D HA -0.213 4.428 4.640 0.001 0.000 0.201 551 D C 2.086 178.378 176.300 -0.014 0.000 0.986 551 D CA 1.410 55.391 54.000 -0.033 0.000 0.847 551 D CB -0.379 40.412 40.800 -0.014 0.000 0.942 551 D HN 0.347 nan 8.370 nan 0.000 0.467 552 M N 0.418 120.008 119.600 -0.016 0.000 2.193 552 M HA 0.001 4.482 4.480 0.001 0.000 0.265 552 M C 1.605 177.883 176.300 -0.037 0.000 1.071 552 M CA 0.751 56.019 55.300 -0.054 0.000 1.140 552 M CB -0.939 31.598 32.600 -0.104 0.000 1.369 552 M HN 0.016 nan 8.290 nan 0.000 0.423 553 N N 0.064 118.772 118.700 0.013 0.000 2.069 553 N HA -0.174 4.567 4.740 0.001 0.000 0.191 553 N C 1.757 177.261 175.510 -0.011 0.000 1.031 553 N CA 1.468 54.514 53.050 -0.007 0.000 0.852 553 N CB -0.439 38.094 38.487 0.077 0.000 1.018 553 N HN 0.307 nan 8.380 nan 0.000 0.423 554 Y N 1.427 121.651 120.300 -0.127 0.000 2.220 554 Y HA 0.035 4.585 4.550 0.001 0.000 0.291 554 Y C 2.379 178.166 175.900 -0.190 0.000 1.129 554 Y CA 0.920 58.956 58.100 -0.106 0.000 1.161 554 Y CB -0.238 38.198 38.460 -0.041 0.000 0.997 554 Y HN 0.001 nan 8.280 nan 0.000 0.522 555 R N -0.741 119.717 120.500 -0.071 0.000 2.152 555 R HA -0.095 4.246 4.340 0.001 0.000 0.232 555 R C 2.475 178.654 176.300 -0.201 0.000 1.117 555 R CA 0.938 56.925 56.100 -0.188 0.000 0.981 555 R CB -0.696 29.507 30.300 -0.162 0.000 0.870 555 R HN 0.398 nan 8.270 nan 0.000 0.451 556 G N 0.925 109.617 108.800 -0.180 0.000 2.402 556 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 556 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 556 G C 1.388 176.135 174.900 -0.255 0.000 1.162 556 G CA 0.327 45.313 45.100 -0.189 0.000 0.777 556 G HN 0.119 nan 8.290 nan 0.000 0.539 557 L N -0.039 120.980 121.223 -0.340 0.000 2.131 557 L HA 0.136 4.476 4.340 0.001 0.000 0.206 557 L C 2.818 179.554 176.870 -0.224 0.000 1.087 557 L CA 0.389 55.013 54.840 -0.359 0.000 0.767 557 L CB -0.417 41.361 42.059 -0.468 0.000 0.917 557 L HN 0.155 nan 8.230 nan 0.000 0.441 558 I N 0.487 120.920 120.570 -0.229 0.000 2.208 558 I HA -0.303 3.867 4.170 0.001 0.000 0.245 558 I C 2.176 178.102 176.117 -0.318 0.000 1.097 558 I CA 1.275 62.434 61.300 -0.234 0.000 1.363 558 I CB -0.391 37.350 38.000 -0.433 0.000 1.051 558 I HN 0.333 nan 8.210 nan 0.000 0.413 559 N N 0.657 119.093 118.700 -0.440 0.000 2.166 559 N HA -0.154 4.587 4.740 0.001 0.000 0.186 559 N C 1.860 176.767 175.510 -1.005 0.000 1.019 559 N CA 1.404 53.955 53.050 -0.831 0.000 0.856 559 N CB -0.247 37.814 38.487 -0.710 0.000 0.993 559 N HN 0.298 nan 8.380 nan 0.000 0.426 560 M N -0.150 119.158 119.600 -0.486 0.000 2.117 560 M HA -0.112 4.369 4.480 0.001 0.000 0.262 560 M C 1.797 178.023 176.300 -0.124 0.000 1.065 560 M CA 1.258 56.403 55.300 -0.259 0.000 1.114 560 M CB -0.272 32.190 32.600 -0.230 0.000 1.361 560 M HN 0.110 nan 8.290 nan 0.000 0.408 561 L N -0.395 120.786 121.223 -0.070 0.000 2.093 561 L HA -0.179 4.162 4.340 0.001 0.000 0.208 561 L C 2.302 179.151 176.870 -0.036 0.000 1.085 561 L CA 1.035 55.918 54.840 0.071 0.000 0.755 561 L CB -0.469 41.684 42.059 0.157 0.000 0.904 561 L HN 0.305 nan 8.230 nan 0.000 0.435 562 I N -1.024 119.480 120.570 -0.112 0.000 2.202 562 I HA -0.267 3.904 4.170 0.001 0.000 0.242 562 I C 2.322 178.470 176.117 0.051 0.000 1.091 562 I CA 1.104 62.403 61.300 -0.001 0.000 1.368 562 I CB -0.245 37.708 38.000 -0.079 0.000 1.058 562 I HN 0.095 nan 8.210 nan 0.000 0.410 563 F N 0.629 120.521 119.950 -0.096 0.000 2.250 563 F HA -0.220 4.308 4.527 0.001 0.000 0.301 563 F C 2.285 177.829 175.800 -0.426 0.000 1.077 563 F CA 0.537 58.449 58.000 -0.148 0.000 1.348 563 F CB -1.477 37.384 39.000 -0.232 0.000 1.040 563 F HN 0.179 nan 8.300 nan 0.000 0.509 564 C N -0.256 118.780 119.300 -0.441 0.000 2.693 564 C HA 0.509 4.969 4.460 0.001 0.000 0.286 564 C C 1.720 176.281 174.990 -0.714 0.000 1.277 564 C CA -0.084 58.265 59.018 -1.114 0.000 1.705 564 C CB -1.228 26.199 27.740 -0.522 0.000 1.879 564 C HN 0.688 nan 8.230 nan 0.000 0.607 565 G N 0.456 108.803 108.800 -0.755 0.000 2.395 565 G HA2 -0.294 3.667 3.960 0.001 0.000 0.300 565 G HA3 -0.294 3.667 3.960 0.001 0.000 0.300 565 G C 0.411 174.929 174.900 -0.638 0.000 0.998 565 G CA 0.518 44.691 45.100 -1.546 0.000 1.046 565 G HN 0.623 nan 8.290 nan 0.000 0.513 566 C N -1.014 118.116 119.300 -0.283 0.000 2.674 566 C HA 0.274 4.735 4.460 0.001 0.000 0.276 566 C C 1.662 176.705 174.990 0.089 0.000 1.300 566 C CA 0.046 59.053 59.018 -0.017 0.000 1.732 566 C CB -0.181 27.582 27.740 0.039 0.000 2.076 566 C HN 0.510 nan 8.230 nan 0.000 0.548 567 V N 2.099 122.092 119.914 0.132 0.000 2.446 567 V HA 0.467 4.587 4.120 0.001 0.000 0.276 567 V C 1.245 177.498 176.094 0.264 0.000 1.030 567 V CA 1.736 64.172 62.300 0.227 0.000 1.033 567 V CB 0.118 32.106 31.823 0.275 0.000 0.993 567 V HN 0.726 nan 8.190 nan 0.000 0.477 568 G N 3.810 112.740 108.800 0.216 0.000 2.176 568 G HA2 -0.151 3.809 3.960 0.001 0.000 0.232 568 G HA3 -0.151 3.809 3.960 0.001 0.000 0.232 568 G C 0.017 175.084 174.900 0.279 0.000 0.986 568 G CA -0.400 44.823 45.100 0.205 0.000 0.643 568 G HN 0.563 nan 8.290 nan 0.000 0.522 569 Q N 0.620 120.589 119.800 0.281 0.000 2.316 569 Q HA 0.562 4.902 4.340 0.001 0.000 0.264 569 Q C 0.086 176.250 176.000 0.273 0.000 0.987 569 Q CA -0.268 55.728 55.803 0.322 0.000 0.852 569 Q CB 1.811 30.700 28.738 0.252 0.000 1.287 569 Q HN 0.329 nan 8.270 nan 0.000 0.448 570 S N 0.683 116.554 115.700 0.286 0.000 2.546 570 S HA 0.279 4.750 4.470 0.001 0.000 0.290 570 S C 1.095 175.775 174.600 0.133 0.000 1.262 570 S CA 1.344 59.644 58.200 0.167 0.000 1.083 570 S CB -0.276 62.987 63.200 0.105 0.000 0.859 570 S HN 0.896 nan 8.310 nan 0.000 0.495 571 G N 2.953 111.830 108.800 0.127 0.000 2.176 571 G HA2 -0.070 3.891 3.960 0.001 0.000 0.232 571 G HA3 -0.070 3.891 3.960 0.001 0.000 0.232 571 G C 0.366 175.331 174.900 0.110 0.000 0.986 571 G CA -0.054 45.113 45.100 0.111 0.000 0.643 571 G HN 1.359 nan 8.290 nan 0.000 0.522 572 G N -1.488 107.392 108.800 0.133 0.000 2.680 572 G HA2 0.993 4.953 3.960 0.001 0.000 0.290 572 G HA3 0.993 4.953 3.960 0.001 0.000 0.290 572 G C 0.226 175.226 174.900 0.166 0.000 1.355 572 G CA 0.691 45.864 45.100 0.122 0.000 0.903 572 G HN 2.045 nan 8.290 nan 0.000 0.474 573 G N -1.671 107.239 108.800 0.184 0.000 2.343 573 G HA2 0.220 4.180 3.960 0.001 0.000 0.562 573 G HA3 0.220 4.180 3.960 0.001 0.000 0.562 573 G C -1.497 173.576 174.900 0.288 0.000 1.269 573 G CA -0.260 44.980 45.100 0.233 0.000 1.011 573 G HN 1.435 nan 8.290 nan 0.000 0.498 574 W N 1.912 123.263 121.300 0.085 0.000 2.422 574 W HA 0.663 5.323 4.660 0.001 0.000 0.349 574 W C 0.454 176.985 176.519 0.019 0.000 1.062 574 W CA -0.179 57.209 57.345 0.071 0.000 1.497 574 W CB 0.359 29.915 29.460 0.160 0.000 1.407 574 W HN 1.123 nan 8.180 nan 0.000 0.393 575 A N 5.429 128.095 122.820 -0.258 0.000 2.910 575 A HA 0.170 4.490 4.320 0.001 0.000 0.316 575 A C -0.990 176.013 177.584 -0.967 0.000 1.493 575 A CA -0.460 51.268 52.037 -0.515 0.000 1.150 575 A CB -0.737 18.189 19.000 -0.122 0.000 1.159 575 A HN 0.668 nan 8.150 nan 0.000 0.526 576 H N 1.554 119.772 119.070 -1.420 0.000 2.705 576 H HA 0.541 5.098 4.556 0.001 0.000 0.291 576 H C -1.659 173.166 175.328 -0.838 0.000 1.085 576 H CA -0.085 55.273 56.048 -1.151 0.000 1.357 576 H CB -0.039 28.773 29.762 -1.584 0.000 1.419 576 H HN 0.478 nan 8.280 nan 0.000 0.462 577 Y N 4.839 124.864 120.300 -0.458 0.000 2.376 577 Y HA 0.373 4.924 4.550 0.001 0.000 0.340 577 Y C 0.259 175.954 175.900 -0.342 0.000 0.965 577 Y CA -0.408 57.506 58.100 -0.310 0.000 1.078 577 Y CB 1.381 39.791 38.460 -0.083 0.000 1.193 577 Y HN 0.529 nan 8.280 nan 0.000 0.452 578 V N -0.506 119.365 119.914 -0.072 0.000 5.704 578 V HA 0.877 4.997 4.120 0.001 0.000 0.094 578 V C 0.551 176.734 176.094 0.149 0.000 0.856 578 V CA -0.034 62.265 62.300 -0.001 0.000 1.342 578 V CB 0.029 31.875 31.823 0.037 0.000 2.430 578 V HN 0.734 nan 8.190 nan 0.000 0.384 579 G N -0.813 108.154 108.800 0.278 0.000 2.535 579 G HA2 0.465 4.426 3.960 0.001 0.000 0.303 579 G HA3 0.465 4.426 3.960 0.001 0.000 0.303 579 G C -0.445 174.587 174.900 0.220 0.000 1.237 579 G CA -0.507 44.778 45.100 0.308 0.000 0.986 579 G HN 0.606 nan 8.290 nan 0.000 0.494 580 Q N -0.097 119.796 119.800 0.155 0.000 3.151 580 Q HA 0.012 4.352 4.340 0.001 0.000 0.277 580 Q C 1.467 177.475 176.000 0.012 0.000 1.343 580 Q CA -0.159 55.668 55.803 0.041 0.000 0.925 580 Q CB 0.047 28.780 28.738 -0.008 0.000 1.771 580 Q HN 0.682 nan 8.270 nan 0.000 0.514 581 E N 1.448 121.683 120.200 0.058 0.000 2.106 581 E HA -0.176 4.175 4.350 0.001 0.000 0.192 581 E C -0.079 176.464 176.600 -0.096 0.000 0.984 581 E CA 0.900 57.288 56.400 -0.019 0.000 0.806 581 E CB 0.241 29.842 29.700 -0.165 0.000 0.750 581 E HN 0.235 nan 8.360 nan 0.000 0.458 582 K N 1.557 121.876 120.400 -0.135 0.000 2.220 582 K HA 0.109 4.430 4.320 0.001 0.000 0.283 582 K C -0.354 176.096 176.600 -0.251 0.000 1.098 582 K CA -0.179 55.968 56.287 -0.232 0.000 0.928 582 K CB -0.096 32.148 32.500 -0.427 0.000 1.214 582 K HN 0.076 nan 8.250 nan 0.000 0.442 583 L N 6.376 127.507 121.223 -0.154 0.000 2.288 583 L HA 0.215 4.555 4.340 0.001 0.000 0.283 583 L C 1.071 177.938 176.870 -0.004 0.000 1.072 583 L CA -0.356 54.368 54.840 -0.193 0.000 0.862 583 L CB 0.235 42.058 42.059 -0.393 0.000 1.245 583 L HN 0.728 nan 8.230 nan 0.000 0.432 584 R N 3.514 123.953 120.500 -0.102 0.000 2.094 584 R HA -0.093 4.248 4.340 0.001 0.000 0.239 584 R C -1.075 175.397 176.300 0.287 0.000 1.137 584 R CA 1.375 57.478 56.100 0.006 0.000 0.943 584 R CB -1.305 28.886 30.300 -0.182 0.000 0.850 584 R HN 0.587 nan 8.270 nan 0.000 0.433 585 P HA 0.001 nan 4.420 nan 0.000 0.237 585 P C -0.076 177.378 177.300 0.257 0.000 1.723 585 P CA 0.375 63.592 63.100 0.195 0.000 0.882 585 P CB 0.300 32.082 31.700 0.136 0.000 1.810 586 Q N 1.546 121.532 119.800 0.311 0.000 2.029 586 Q HA -0.189 4.151 4.340 0.001 0.000 0.209 586 Q C 1.760 177.971 176.000 0.351 0.000 0.999 586 Q CA 3.150 59.164 55.803 0.352 0.000 0.857 586 Q CB -0.542 28.372 28.738 0.293 0.000 0.926 586 Q HN 0.336 nan 8.270 nan 0.000 0.415 587 T N -3.350 111.353 114.554 0.249 0.000 3.051 587 T HA 0.011 4.361 4.350 0.001 0.000 0.269 587 T C 1.520 176.340 174.700 0.199 0.000 1.127 587 T CA 0.841 63.067 62.100 0.210 0.000 1.107 587 T CB -0.123 68.909 68.868 0.274 0.000 0.898 587 T HN 0.404 nan 8.240 nan 0.000 0.517 588 G N -0.342 108.595 108.800 0.228 0.000 2.492 588 G HA2 0.042 4.003 3.960 0.001 0.000 0.214 588 G HA3 0.042 4.003 3.960 0.001 0.000 0.214 588 G C 1.177 176.176 174.900 0.164 0.000 1.147 588 G CA 0.115 45.321 45.100 0.177 0.000 0.809 588 G HN 0.607 nan 8.290 nan 0.000 0.533 589 W N 1.304 122.627 121.300 0.037 0.000 2.481 589 W HA 0.087 4.747 4.660 0.001 0.000 0.293 589 W C 2.586 179.092 176.519 -0.022 0.000 1.201 589 W CA 1.175 58.521 57.345 0.002 0.000 1.328 589 W CB 0.027 29.488 29.460 0.002 0.000 1.112 589 W HN 0.222 nan 8.180 nan 0.000 0.546 590 Q N 0.619 120.313 119.800 -0.177 0.000 2.077 590 Q HA -0.232 4.109 4.340 0.001 0.000 0.206 590 Q C -0.121 175.675 176.000 -0.340 0.000 0.989 590 Q CA 2.430 58.002 55.803 -0.385 0.000 0.853 590 Q CB -1.824 26.965 28.738 0.085 0.000 0.907 590 Q HN 0.271 nan 8.270 nan 0.000 0.418 591 P HA -0.161 nan 4.420 nan 0.000 0.220 591 P C 1.386 178.566 177.300 -0.199 0.000 1.148 591 P CA 1.002 64.016 63.100 -0.142 0.000 0.803 591 P CB 0.032 31.672 31.700 -0.100 0.000 0.782 592 L N 0.314 121.365 121.223 -0.286 0.000 2.023 592 L HA 0.076 4.416 4.340 0.001 0.000 0.205 592 L C 2.540 179.182 176.870 -0.380 0.000 1.073 592 L CA 2.099 56.780 54.840 -0.265 0.000 0.745 592 L CB -1.574 40.354 42.059 -0.218 0.000 0.900 592 L HN -0.104 nan 8.230 nan 0.000 0.435 593 A N -0.867 121.502 122.820 -0.752 0.000 1.933 593 A HA -0.143 4.178 4.320 0.001 0.000 0.218 593 A C 1.537 178.620 177.584 -0.834 0.000 1.175 593 A CA 1.874 53.357 52.037 -0.924 0.000 0.628 593 A CB -0.846 17.106 19.000 -1.747 0.000 0.814 593 A HN 0.513 nan 8.150 nan 0.000 0.444 594 F N -1.476 118.340 119.950 -0.224 0.000 2.668 594 F HA 0.560 5.087 4.527 0.001 0.000 0.301 594 F C 1.334 177.054 175.800 -0.133 0.000 1.106 594 F CA -0.592 57.310 58.000 -0.162 0.000 1.289 594 F CB -0.453 38.453 39.000 -0.157 0.000 1.006 594 F HN 0.305 nan 8.300 nan 0.000 0.535 595 A N 0.334 123.137 122.820 -0.027 0.000 2.783 595 A HA -0.255 4.066 4.320 0.001 0.000 0.292 595 A C 1.312 178.931 177.584 0.059 0.000 1.495 595 A CA 0.905 52.962 52.037 0.034 0.000 0.787 595 A CB -2.257 16.767 19.000 0.040 0.000 1.017 595 A HN 0.516 nan 8.150 nan 0.000 0.516 596 L N -0.239 120.992 121.223 0.013 0.000 2.551 596 L HA -0.092 4.249 4.340 0.001 0.000 0.228 596 L C 2.117 178.956 176.870 -0.051 0.000 1.153 596 L CA 1.055 55.888 54.840 -0.011 0.000 0.851 596 L CB -0.415 41.631 42.059 -0.022 0.000 0.959 596 L HN 0.767 nan 8.230 nan 0.000 0.451 597 D N -1.449 118.914 120.400 -0.062 0.000 2.347 597 D HA -0.167 4.474 4.640 0.001 0.000 0.213 597 D C 1.628 177.750 176.300 -0.297 0.000 0.985 597 D CA 0.544 54.429 54.000 -0.191 0.000 0.879 597 D CB -0.040 40.626 40.800 -0.224 0.000 0.919 597 D HN 0.400 nan 8.370 nan 0.000 0.526 598 W N 0.614 121.870 121.300 -0.075 0.000 3.178 598 W HA 0.270 4.930 4.660 0.001 0.000 0.241 598 W C 0.578 177.053 176.519 -0.074 0.000 1.122 598 W CA -0.116 57.188 57.345 -0.070 0.000 1.595 598 W CB 0.817 30.234 29.460 -0.071 0.000 0.918 598 W HN -0.234 nan 8.180 nan 0.000 0.700 599 Q N 0.510 120.402 119.800 0.154 0.000 2.345 599 Q HA 0.592 4.933 4.340 0.001 0.000 0.275 599 Q C -0.909 175.089 176.000 -0.003 0.000 1.063 599 Q CA -0.830 55.004 55.803 0.052 0.000 0.819 599 Q CB 2.956 31.705 28.738 0.018 0.000 1.356 599 Q HN -0.188 nan 8.270 nan 0.000 0.418 600 R N 1.366 121.848 120.500 -0.030 0.000 2.564 600 R HA 0.557 4.898 4.340 0.001 0.000 0.284 600 R C -2.554 173.709 176.300 -0.063 0.000 1.031 600 R CA -1.601 54.467 56.100 -0.054 0.000 0.904 600 R CB 1.924 32.185 30.300 -0.065 0.000 1.199 600 R HN 0.485 nan 8.270 nan 0.000 0.443 601 P HA 0.493 nan 4.420 nan 0.000 0.287 601 P C -1.002 176.224 177.300 -0.124 0.000 1.296 601 P CA -0.551 62.494 63.100 -0.091 0.000 0.811 601 P CB 1.105 32.754 31.700 -0.085 0.000 1.211 602 A N 0.308 123.002 122.820 -0.210 0.000 2.298 602 A HA 0.565 4.885 4.320 0.001 0.000 0.302 602 A C 0.065 177.419 177.584 -0.383 0.000 1.177 602 A CA -0.765 51.076 52.037 -0.327 0.000 0.912 602 A CB 0.540 19.229 19.000 -0.518 0.000 1.331 602 A HN 0.460 nan 8.150 nan 0.000 0.504 603 R N 1.022 121.275 120.500 -0.411 0.000 2.423 603 R HA 0.256 4.597 4.340 0.001 0.000 0.293 603 R C -1.040 175.041 176.300 -0.364 0.000 1.196 603 R CA -0.360 55.572 56.100 -0.281 0.000 1.262 603 R CB 0.136 30.355 30.300 -0.136 0.000 1.116 603 R HN 0.695 nan 8.270 nan 0.000 0.566 604 H N 2.062 120.992 119.070 -0.233 0.000 2.511 604 H HA 0.316 4.873 4.556 0.001 0.000 0.346 604 H C -0.188 175.154 175.328 0.024 0.000 1.128 604 H CA -0.254 55.622 56.048 -0.288 0.000 1.342 604 H CB 1.819 31.319 29.762 -0.438 0.000 1.470 604 H HN 0.251 nan 8.280 nan 0.000 0.546 605 M N 2.826 122.605 119.600 0.298 0.000 2.433 605 M HA 0.178 4.658 4.480 0.001 0.000 0.290 605 M C -1.344 175.111 176.300 0.258 0.000 1.173 605 M CA -0.787 54.622 55.300 0.182 0.000 0.905 605 M CB 1.589 34.177 32.600 -0.019 0.000 1.692 605 M HN 0.582 nan 8.290 nan 0.000 0.462 606 N N 2.790 121.591 118.700 0.169 0.000 2.406 606 N HA 0.152 4.892 4.740 0.001 0.000 0.251 606 N C -0.366 175.194 175.510 0.083 0.000 1.069 606 N CA -0.103 53.052 53.050 0.175 0.000 0.947 606 N CB 1.003 39.596 38.487 0.177 0.000 1.111 606 N HN 0.758 nan 8.380 nan 0.000 0.497 607 S N 2.237 117.966 115.700 0.048 0.000 2.383 607 S HA -0.154 4.316 4.470 0.001 0.000 0.229 607 S C 1.515 176.070 174.600 -0.074 0.000 1.030 607 S CA 1.672 59.806 58.200 -0.110 0.000 1.002 607 S CB -0.234 62.927 63.200 -0.064 0.000 0.829 607 S HN 0.745 nan 8.310 nan 0.000 0.467 608 T N 1.814 116.496 114.554 0.213 0.000 2.746 608 T HA -0.061 4.289 4.350 0.001 0.000 0.267 608 T C 2.121 176.973 174.700 0.254 0.000 1.039 608 T CA 1.522 63.858 62.100 0.394 0.000 1.142 608 T CB -0.348 68.759 68.868 0.399 0.000 0.866 608 T HN 0.355 nan 8.240 nan 0.000 0.444 609 S N 0.152 115.950 115.700 0.164 0.000 2.387 609 S HA -0.022 4.448 4.470 0.001 0.000 0.226 609 S C 1.688 176.366 174.600 0.131 0.000 1.026 609 S CA 0.542 58.833 58.200 0.153 0.000 0.972 609 S CB -0.432 62.827 63.200 0.099 0.000 0.814 609 S HN 0.558 nan 8.310 nan 0.000 0.477 610 Y N 1.448 121.687 120.300 -0.102 0.000 2.128 610 Y HA -0.190 4.361 4.550 0.001 0.000 0.284 610 Y C 1.704 177.479 175.900 -0.208 0.000 1.154 610 Y CA 1.533 59.508 58.100 -0.209 0.000 1.149 610 Y CB -0.404 37.825 38.460 -0.386 0.000 0.976 610 Y HN 0.202 nan 8.280 nan 0.000 0.505 611 F N -2.014 117.993 119.950 0.095 0.000 2.293 611 F HA -0.102 4.425 4.527 0.001 0.000 0.297 611 F C 2.187 178.053 175.800 0.109 0.000 1.089 611 F CA 0.947 58.956 58.000 0.016 0.000 1.377 611 F CB -1.413 37.479 39.000 -0.181 0.000 1.051 611 F HN 0.105 nan 8.300 nan 0.000 0.511 612 Y N 1.299 121.719 120.300 0.200 0.000 2.165 612 Y HA -0.300 4.251 4.550 0.001 0.000 0.286 612 Y C 2.380 178.389 175.900 0.182 0.000 1.155 612 Y CA 1.922 60.133 58.100 0.185 0.000 1.164 612 Y CB -0.689 37.872 38.460 0.169 0.000 0.978 612 Y HN 0.102 nan 8.280 nan 0.000 0.513 613 N N -1.017 117.711 118.700 0.047 0.000 2.081 613 N HA -0.177 4.564 4.740 0.001 0.000 0.191 613 N C 1.873 177.305 175.510 -0.130 0.000 1.053 613 N CA 2.167 55.113 53.050 -0.172 0.000 0.846 613 N CB -0.721 37.487 38.487 -0.465 0.000 1.032 613 N HN 0.336 nan 8.380 nan 0.000 0.431 614 H N -0.531 118.497 119.070 -0.071 0.000 2.457 614 H HA 0.027 4.584 4.556 0.001 0.000 0.294 614 H C 1.622 176.964 175.328 0.023 0.000 1.064 614 H CA 1.448 57.450 56.048 -0.077 0.000 1.330 614 H CB -0.484 29.111 29.762 -0.279 0.000 1.395 614 H HN 0.435 nan 8.280 nan 0.000 0.541 615 S N -0.087 115.725 115.700 0.186 0.000 2.631 615 S HA 0.042 4.513 4.470 0.001 0.000 0.217 615 S C 0.861 175.450 174.600 -0.020 0.000 0.958 615 S CA 0.231 58.553 58.200 0.202 0.000 0.920 615 S CB 0.035 63.399 63.200 0.273 0.000 0.776 615 S HN 0.210 nan 8.310 nan 0.000 0.517 616 S N 1.013 116.601 115.700 -0.187 0.000 3.533 616 S HA -0.245 4.225 4.470 0.001 0.000 0.347 616 S C 0.913 175.158 174.600 -0.593 0.000 1.101 616 S CA 1.061 58.922 58.200 -0.565 0.000 1.009 616 S CB -1.945 60.500 63.200 -1.260 0.000 0.916 616 S HN 0.816 nan 8.310 nan 0.000 0.496 617 Q N -0.440 119.135 119.800 -0.376 0.000 2.437 617 Q HA -0.087 4.254 4.340 0.001 0.000 0.210 617 Q C 1.997 177.749 176.000 -0.413 0.000 0.972 617 Q CA 1.349 56.853 55.803 -0.497 0.000 0.903 617 Q CB -0.089 28.420 28.738 -0.381 0.000 0.967 617 Q HN 1.027 nan 8.270 nan 0.000 0.486 618 W N 0.292 121.157 121.300 -0.726 0.000 2.467 618 W HA -0.025 4.637 4.660 0.002 0.000 0.275 618 W C 0.829 177.300 176.519 -0.080 0.000 1.239 618 W CA 0.163 57.107 57.345 -0.668 0.000 1.266 618 W CB -0.485 28.392 29.460 -0.972 0.000 1.112 618 W HN 0.011 nan 8.180 nan 0.000 0.576 619 R N -0.161 119.757 120.500 -0.969 0.000 2.285 619 R HA -0.128 4.212 4.340 0.001 0.000 0.213 619 R C 0.636 176.746 176.300 -0.316 0.000 1.068 619 R CA 1.238 56.870 56.100 -0.780 0.000 1.004 619 R CB -0.450 29.259 30.300 -0.986 0.000 0.873 619 R HN 0.295 nan 8.270 nan 0.000 0.467 620 Y N -0.448 119.786 120.300 -0.109 0.000 2.660 620 Y HA 0.169 4.719 4.550 0.000 0.000 0.254 620 Y C 0.090 176.032 175.900 0.070 0.000 1.176 620 Y CA -0.812 57.310 58.100 0.037 0.000 1.195 620 Y CB 0.476 39.001 38.460 0.108 0.000 1.190 620 Y HN -0.112 nan 8.280 nan 0.000 0.535 621 E N 1.376 121.725 120.200 0.247 0.000 2.415 621 E HA -0.023 4.327 4.350 0.001 0.000 0.263 621 E C 1.124 177.773 176.600 0.081 0.000 0.995 621 E CA 0.734 57.257 56.400 0.206 0.000 0.915 621 E CB 0.814 30.677 29.700 0.270 0.000 0.951 621 E HN 0.350 nan 8.360 nan 0.000 0.449 622 T N 0.248 114.831 114.554 0.048 0.000 2.985 622 T HA 0.224 4.574 4.350 0.001 0.000 0.254 622 T C 0.340 175.012 174.700 -0.046 0.000 1.021 622 T CA -0.250 61.855 62.100 0.007 0.000 0.957 622 T CB 0.221 69.106 68.868 0.029 0.000 1.047 622 T HN 0.127 nan 8.240 nan 0.000 0.511 623 V N 3.555 123.424 119.914 -0.075 0.000 2.481 623 V HA 0.601 4.721 4.120 0.001 0.000 0.286 623 V C 0.565 176.580 176.094 -0.133 0.000 1.042 623 V CA -0.669 61.557 62.300 -0.124 0.000 0.928 623 V CB 1.334 33.041 31.823 -0.194 0.000 0.986 623 V HN 0.662 nan 8.190 nan 0.000 0.462 624 T N 1.359 115.846 114.554 -0.112 0.000 2.925 624 T HA 0.652 5.002 4.350 0.001 0.000 0.285 624 T C 0.998 175.647 174.700 -0.085 0.000 1.021 624 T CA -0.021 62.024 62.100 -0.092 0.000 1.042 624 T CB 1.970 70.810 68.868 -0.047 0.000 1.037 624 T HN 0.718 nan 8.240 nan 0.000 0.481 625 A N 0.719 123.492 122.820 -0.078 0.000 1.930 625 A HA -0.020 4.301 4.320 0.001 0.000 0.217 625 A C 2.184 179.798 177.584 0.050 0.000 1.175 625 A CA 1.678 53.662 52.037 -0.087 0.000 0.627 625 A CB -1.014 17.836 19.000 -0.250 0.000 0.815 625 A HN 1.049 nan 8.150 nan 0.000 0.443 626 E N 0.634 120.862 120.200 0.045 0.000 2.085 626 E HA -0.276 4.074 4.350 0.001 0.000 0.194 626 E C 1.873 178.487 176.600 0.024 0.000 0.994 626 E CA 1.596 58.019 56.400 0.038 0.000 0.801 626 E CB -0.228 29.495 29.700 0.039 0.000 0.743 626 E HN 0.859 nan 8.360 nan 0.000 0.453 627 E N 0.083 120.289 120.200 0.010 0.000 2.478 627 E HA -0.134 4.216 4.350 0.001 0.000 0.198 627 E C 1.747 178.355 176.600 0.013 0.000 1.046 627 E CA 0.503 56.908 56.400 0.009 0.000 0.870 627 E CB -0.012 29.677 29.700 -0.017 0.000 0.818 627 E HN 0.389 nan 8.360 nan 0.000 0.527 628 L N 0.572 121.813 121.223 0.030 0.000 2.556 628 L HA 0.256 4.597 4.340 0.001 0.000 0.226 628 L C 1.086 178.032 176.870 0.127 0.000 1.089 628 L CA -0.333 54.535 54.840 0.047 0.000 0.864 628 L CB 0.156 42.242 42.059 0.046 0.000 1.067 628 L HN 0.119 nan 8.230 nan 0.000 0.477 629 L N 0.113 121.372 121.223 0.060 0.000 2.492 629 L HA -0.014 4.326 4.340 0.001 0.000 0.280 629 L C 0.969 177.871 176.870 0.053 0.000 1.240 629 L CA 0.215 54.978 54.840 -0.128 0.000 0.831 629 L CB 0.594 42.520 42.059 -0.221 0.000 1.100 629 L HN 0.062 nan 8.230 nan 0.000 0.505 630 S N 1.248 116.955 115.700 0.012 0.000 2.565 630 S HA 0.236 4.707 4.470 0.001 0.000 0.274 630 S C -1.581 173.067 174.600 0.081 0.000 1.309 630 S CA -1.326 56.972 58.200 0.163 0.000 1.043 630 S CB 1.246 64.510 63.200 0.107 0.000 0.939 630 S HN 0.346 nan 8.310 nan 0.000 0.504 631 P HA -0.076 nan 4.420 nan 0.000 0.218 631 P C 0.726 178.053 177.300 0.046 0.000 1.146 631 P CA 1.504 64.626 63.100 0.036 0.000 0.813 631 P CB 0.046 31.737 31.700 -0.015 0.000 0.778 632 M N -2.169 117.465 119.600 0.057 0.000 2.494 632 M HA 0.191 4.672 4.480 0.001 0.000 0.232 632 M C 0.776 177.107 176.300 0.051 0.000 1.137 632 M CA -0.342 55.007 55.300 0.082 0.000 1.012 632 M CB 0.058 32.731 32.600 0.120 0.000 1.567 632 M HN -0.175 nan 8.290 nan 0.000 0.486 633 A N 0.665 123.501 122.820 0.026 0.000 2.272 633 A HA 0.263 4.583 4.320 0.001 0.000 0.275 633 A C -0.435 177.180 177.584 0.051 0.000 1.096 633 A CA -0.400 51.652 52.037 0.026 0.000 0.822 633 A CB 0.331 19.288 19.000 -0.072 0.000 1.088 633 A HN 0.266 nan 8.150 nan 0.000 0.495 634 D N -0.137 120.313 120.400 0.084 0.000 2.485 634 D HA 0.255 4.895 4.640 0.001 0.000 0.221 634 D C 0.890 177.216 176.300 0.044 0.000 1.112 634 D CA -0.189 53.830 54.000 0.031 0.000 0.911 634 D CB 0.223 41.010 40.800 -0.021 0.000 1.019 634 D HN 0.454 nan 8.370 nan 0.000 0.516 635 K N 0.871 121.302 120.400 0.051 0.000 2.207 635 K HA -0.236 4.085 4.320 0.001 0.000 0.208 635 K C 1.803 178.414 176.600 0.017 0.000 1.046 635 K CA 1.630 57.953 56.287 0.060 0.000 0.929 635 K CB -0.163 32.357 32.500 0.034 0.000 0.720 635 K HN 0.475 nan 8.250 nan 0.000 0.463 636 S N 0.611 116.289 115.700 -0.038 0.000 2.447 636 S HA -0.053 4.417 4.470 0.001 0.000 0.233 636 S C 1.666 176.168 174.600 -0.163 0.000 1.006 636 S CA 0.464 58.617 58.200 -0.078 0.000 0.957 636 S CB -0.025 63.132 63.200 -0.073 0.000 0.773 636 S HN 0.226 nan 8.310 nan 0.000 0.507 637 R N -0.156 120.174 120.500 -0.283 0.000 2.310 637 R HA 0.162 4.502 4.340 0.001 0.000 0.202 637 R C -0.403 175.385 176.300 -0.853 0.000 0.933 637 R CA 0.395 56.154 56.100 -0.568 0.000 1.054 637 R CB -0.114 29.751 30.300 -0.725 0.000 0.985 637 R HN 0.558 nan 8.270 nan 0.000 0.489 638 Y N 0.348 120.582 120.300 -0.109 0.000 2.473 638 Y HA 0.132 4.682 4.550 0.001 0.000 0.345 638 Y C 0.371 176.307 175.900 0.060 0.000 0.932 638 Y CA -0.999 57.074 58.100 -0.045 0.000 1.124 638 Y CB 0.556 39.001 38.460 -0.025 0.000 1.162 638 Y HN -0.137 nan 8.280 nan 0.000 0.629 639 T N -1.816 112.754 114.554 0.027 0.000 2.918 639 T HA 0.869 5.219 4.350 0.001 0.000 0.283 639 T C 0.533 175.264 174.700 0.052 0.000 1.001 639 T CA -0.042 62.091 62.100 0.054 0.000 1.041 639 T CB 1.861 70.719 68.868 -0.016 0.000 1.028 639 T HN 0.914 nan 8.240 nan 0.000 0.511 640 G N 0.368 109.241 108.800 0.121 0.000 2.497 640 G HA2 0.090 4.050 3.960 0.001 0.000 0.686 640 G HA3 0.090 4.050 3.960 0.001 0.000 0.686 640 G C -0.836 174.250 174.900 0.310 0.000 1.288 640 G CA -0.777 44.415 45.100 0.154 0.000 0.899 640 G HN 1.201 nan 8.290 nan 0.000 0.608 641 H N 0.415 119.598 119.070 0.189 0.000 2.690 641 H HA 0.338 4.895 4.556 0.001 0.000 0.365 641 H C 1.972 177.493 175.328 0.322 0.000 1.142 641 H CA 0.376 56.556 56.048 0.222 0.000 1.417 641 H CB 0.910 30.791 29.762 0.199 0.000 1.446 641 H HN 0.424 nan 8.280 nan 0.000 0.599 642 L N 4.192 125.674 121.223 0.433 0.000 2.081 642 L HA -0.225 4.116 4.340 0.001 0.000 0.212 642 L C 2.706 179.892 176.870 0.528 0.000 1.080 642 L CA 1.336 56.392 54.840 0.360 0.000 0.754 642 L CB -0.311 41.844 42.059 0.159 0.000 0.893 642 L HN 0.649 nan 8.230 nan 0.000 0.433 643 I N -0.349 120.629 120.570 0.681 0.000 2.614 643 I HA -0.280 3.890 4.170 0.001 0.000 0.258 643 I C 1.883 178.076 176.117 0.127 0.000 1.189 643 I CA 1.127 62.588 61.300 0.268 0.000 1.462 643 I CB -0.121 37.756 38.000 -0.205 0.000 1.092 643 I HN 0.293 nan 8.210 nan 0.000 0.442 644 D N 0.607 121.124 120.400 0.196 0.000 2.144 644 D HA -0.195 4.446 4.640 0.001 0.000 0.199 644 D C 2.029 178.362 176.300 0.055 0.000 0.984 644 D CA 1.492 55.524 54.000 0.053 0.000 0.834 644 D CB -0.299 40.509 40.800 0.014 0.000 0.955 644 D HN 0.379 nan 8.370 nan 0.000 0.465 645 F N 1.126 121.133 119.950 0.096 0.000 2.216 645 F HA -0.124 4.404 4.527 0.001 0.000 0.300 645 F C 2.356 178.279 175.800 0.205 0.000 1.085 645 F CA 0.634 58.748 58.000 0.190 0.000 1.326 645 F CB -0.209 38.896 39.000 0.174 0.000 1.027 645 F HN -0.050 nan 8.300 nan 0.000 0.497 646 N N 0.622 119.500 118.700 0.298 0.000 2.171 646 N HA -0.125 4.616 4.740 0.001 0.000 0.184 646 N C 1.937 177.466 175.510 0.032 0.000 1.021 646 N CA 1.137 54.286 53.050 0.166 0.000 0.854 646 N CB -0.127 38.435 38.487 0.126 0.000 0.994 646 N HN 0.096 nan 8.380 nan 0.000 0.426 647 V N 1.522 121.419 119.914 -0.029 0.000 2.515 647 V HA -0.142 3.979 4.120 0.001 0.000 0.250 647 V C 2.400 178.368 176.094 -0.210 0.000 1.058 647 V CA 1.364 63.585 62.300 -0.132 0.000 1.064 647 V CB -0.382 31.351 31.823 -0.150 0.000 0.675 647 V HN 0.273 nan 8.190 nan 0.000 0.461 648 R N 0.115 120.513 120.500 -0.170 0.000 2.073 648 R HA -0.032 4.309 4.340 0.001 0.000 0.229 648 R C 2.452 178.522 176.300 -0.382 0.000 1.120 648 R CA 1.370 57.308 56.100 -0.270 0.000 0.967 648 R CB -0.568 29.619 30.300 -0.189 0.000 0.862 648 R HN 0.513 nan 8.270 nan 0.000 0.436 649 A N 1.294 123.960 122.820 -0.257 0.000 1.933 649 A HA -0.197 4.123 4.320 0.001 0.000 0.218 649 A C 1.859 179.290 177.584 -0.255 0.000 1.175 649 A CA 1.414 53.248 52.037 -0.338 0.000 0.628 649 A CB -0.300 18.758 19.000 0.096 0.000 0.814 649 A HN 0.322 nan 8.150 nan 0.000 0.444 650 E N -0.399 119.677 120.200 -0.206 0.000 2.047 650 E HA -0.169 4.181 4.350 0.001 0.000 0.191 650 E C 2.297 178.655 176.600 -0.402 0.000 0.987 650 E CA 1.054 57.321 56.400 -0.222 0.000 0.799 650 E CB -0.204 29.371 29.700 -0.209 0.000 0.752 650 E HN 0.523 nan 8.360 nan 0.000 0.449 651 R N 0.212 120.364 120.500 -0.581 0.000 2.120 651 R HA -0.045 4.295 4.340 0.001 0.000 0.234 651 R C 2.041 178.308 176.300 -0.055 0.000 1.123 651 R CA 1.105 56.868 56.100 -0.561 0.000 0.975 651 R CB -0.189 29.812 30.300 -0.498 0.000 0.866 651 R HN 0.239 nan 8.270 nan 0.000 0.446 652 M N -0.447 119.004 119.600 -0.250 0.000 2.561 652 M HA 0.132 4.612 4.480 0.001 0.000 0.238 652 M C 0.779 177.049 176.300 -0.049 0.000 1.131 652 M CA 0.593 55.766 55.300 -0.213 0.000 1.046 652 M CB 0.797 32.944 32.600 -0.755 0.000 1.532 652 M HN 0.442 nan 8.290 nan 0.000 0.497 653 G N -0.594 108.208 108.800 0.003 0.000 2.143 653 G HA2 -0.213 3.747 3.960 0.001 0.000 0.249 653 G HA3 -0.213 3.747 3.960 0.001 0.000 0.249 653 G C 0.182 175.266 174.900 0.306 0.000 0.981 653 G CA 0.056 45.240 45.100 0.140 0.000 0.665 653 G HN 0.502 nan 8.290 nan 0.000 0.528 654 W N -0.222 121.073 121.300 -0.008 0.000 2.443 654 W HA 0.509 5.170 4.660 0.001 0.000 0.296 654 W C 1.583 178.107 176.519 0.008 0.000 1.202 654 W CA 0.608 57.954 57.345 0.001 0.000 1.312 654 W CB -0.365 29.056 29.460 -0.066 0.000 1.120 654 W HN 0.262 nan 8.180 nan 0.000 0.536 655 L N 0.485 121.800 121.223 0.153 0.000 2.309 655 L HA 0.418 4.759 4.340 0.001 0.000 0.261 655 L C -1.968 174.799 176.870 -0.172 0.000 1.021 655 L CA -2.204 52.569 54.840 -0.113 0.000 0.823 655 L CB 2.193 44.228 42.059 -0.041 0.000 1.366 655 L HN -0.478 nan 8.230 nan 0.000 0.423 656 P HA 0.270 nan 4.420 nan 0.000 0.279 656 P C -1.187 176.106 177.300 -0.012 0.000 1.276 656 P CA -0.389 62.627 63.100 -0.141 0.000 0.801 656 P CB 1.537 33.127 31.700 -0.184 0.000 1.127 657 S N -1.036 114.712 115.700 0.080 0.000 2.570 657 S HA 0.790 5.261 4.470 0.001 0.000 0.286 657 S C -0.991 173.711 174.600 0.170 0.000 1.099 657 S CA -0.486 57.800 58.200 0.144 0.000 0.913 657 S CB 1.766 65.104 63.200 0.229 0.000 1.085 657 S HN 0.731 nan 8.310 nan 0.000 0.480 658 A N 2.589 125.555 122.820 0.244 0.000 2.508 658 A HA 0.645 4.966 4.320 0.001 0.000 0.297 658 A C -3.359 174.506 177.584 0.468 0.000 1.036 658 A CA -1.114 51.108 52.037 0.308 0.000 0.957 658 A CB 0.581 19.745 19.000 0.273 0.000 1.428 658 A HN 0.465 nan 8.150 nan 0.000 0.393 659 P HA 0.171 nan 4.420 nan 0.000 0.270 659 P C 0.700 178.104 177.300 0.173 0.000 1.223 659 P CA -0.010 63.201 63.100 0.185 0.000 0.785 659 P CB 0.672 32.445 31.700 0.123 0.000 0.923 660 Q N 0.305 120.178 119.800 0.121 0.000 1.990 660 Q HA 0.080 4.421 4.340 0.001 0.000 0.195 660 Q C 0.361 176.390 176.000 0.047 0.000 0.977 660 Q CA 0.904 56.774 55.803 0.111 0.000 0.828 660 Q CB -0.172 28.605 28.738 0.066 0.000 0.896 660 Q HN 0.379 nan 8.270 nan 0.000 0.447 661 L N -0.604 120.603 121.223 -0.026 0.000 2.334 661 L HA 0.419 4.760 4.340 0.001 0.000 0.270 661 L C 1.057 177.921 176.870 -0.010 0.000 1.018 661 L CA -0.563 54.220 54.840 -0.095 0.000 0.811 661 L CB 1.105 43.073 42.059 -0.150 0.000 1.271 661 L HN 0.229 nan 8.230 nan 0.000 0.443 662 G N -0.506 108.289 108.800 -0.007 0.000 3.061 662 G HA2 0.024 3.985 3.960 0.001 0.000 0.208 662 G HA3 0.024 3.985 3.960 0.001 0.000 0.208 662 G C 0.372 175.289 174.900 0.029 0.000 1.175 662 G CA 0.372 45.492 45.100 0.033 0.000 0.812 662 G HN 0.496 nan 8.290 nan 0.000 0.523 663 T N -0.972 113.589 114.554 0.013 0.000 2.903 663 T HA 0.320 4.671 4.350 0.001 0.000 0.299 663 T C -0.550 174.158 174.700 0.014 0.000 1.093 663 T CA -0.876 61.233 62.100 0.015 0.000 1.002 663 T CB 1.214 70.090 68.868 0.014 0.000 1.127 663 T HN 0.142 nan 8.240 nan 0.000 0.488 664 N N 3.880 122.585 118.700 0.008 0.000 2.429 664 N HA 0.117 4.857 4.740 0.001 0.000 0.271 664 N C -1.662 173.854 175.510 0.010 0.000 1.272 664 N CA -1.428 51.626 53.050 0.006 0.000 0.921 664 N CB 0.939 39.412 38.487 -0.023 0.000 1.128 664 N HN 0.366 nan 8.380 nan 0.000 0.481 665 P HA -0.178 nan 4.420 nan 0.000 0.220 665 P C 0.702 178.016 177.300 0.023 0.000 1.144 665 P CA 1.091 64.202 63.100 0.018 0.000 0.800 665 P CB 0.216 31.930 31.700 0.022 0.000 0.772 666 L N -1.559 119.680 121.223 0.027 0.000 2.478 666 L HA -0.003 4.337 4.340 0.001 0.000 0.223 666 L C 2.003 178.879 176.870 0.009 0.000 1.140 666 L CA 1.495 56.356 54.840 0.033 0.000 0.842 666 L CB -1.098 40.990 42.059 0.049 0.000 0.953 666 L HN 0.148 nan 8.230 nan 0.000 0.452 667 T N -4.198 110.353 114.554 -0.004 0.000 3.037 667 T HA 0.147 4.497 4.350 0.001 0.000 0.251 667 T C 1.739 176.418 174.700 -0.035 0.000 1.079 667 T CA -0.061 62.027 62.100 -0.021 0.000 1.067 667 T CB -0.040 68.815 68.868 -0.023 0.000 0.948 667 T HN 0.118 nan 8.240 nan 0.000 0.496 668 I N 2.209 122.771 120.570 -0.014 0.000 2.163 668 I HA -0.160 4.011 4.170 0.001 0.000 0.243 668 I C 3.196 179.235 176.117 -0.130 0.000 1.085 668 I CA 1.439 62.730 61.300 -0.015 0.000 1.347 668 I CB -0.660 37.379 38.000 0.064 0.000 1.044 668 I HN 0.350 nan 8.210 nan 0.000 0.408 669 A N 1.077 123.846 122.820 -0.084 0.000 1.917 669 A HA -0.195 4.125 4.320 0.001 0.000 0.219 669 A C 2.442 179.933 177.584 -0.156 0.000 1.182 669 A CA 2.158 54.132 52.037 -0.106 0.000 0.633 669 A CB -1.521 17.448 19.000 -0.051 0.000 0.819 669 A HN 0.498 nan 8.150 nan 0.000 0.448 670 G N -0.796 107.927 108.800 -0.128 0.000 2.422 670 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 670 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 670 G C 1.450 176.235 174.900 -0.191 0.000 1.146 670 G CA 1.013 46.038 45.100 -0.125 0.000 0.769 670 G HN 0.667 nan 8.290 nan 0.000 0.547 671 E N 0.373 120.406 120.200 -0.277 0.000 2.107 671 E HA 0.051 4.402 4.350 0.001 0.000 0.191 671 E C 2.933 179.105 176.600 -0.714 0.000 0.982 671 E CA 0.614 56.776 56.400 -0.396 0.000 0.809 671 E CB -0.136 29.356 29.700 -0.347 0.000 0.756 671 E HN 0.394 nan 8.360 nan 0.000 0.459 672 A N 1.657 123.901 122.820 -0.960 0.000 1.877 672 A HA -0.273 4.048 4.320 0.001 0.000 0.216 672 A C 2.120 179.514 177.584 -0.316 0.000 1.186 672 A CA 1.677 53.218 52.037 -0.827 0.000 0.620 672 A CB -0.510 18.227 19.000 -0.438 0.000 0.822 672 A HN 0.269 nan 8.150 nan 0.000 0.443 673 E N -0.047 120.017 120.200 -0.227 0.000 2.085 673 E HA -0.267 4.083 4.350 0.001 0.000 0.194 673 E C 2.053 178.592 176.600 -0.103 0.000 0.994 673 E CA 1.641 57.968 56.400 -0.122 0.000 0.801 673 E CB -0.173 29.469 29.700 -0.096 0.000 0.743 673 E HN 0.632 nan 8.360 nan 0.000 0.453 674 K N -0.104 120.218 120.400 -0.130 0.000 2.097 674 K HA -0.071 4.249 4.320 0.001 0.000 0.206 674 K C 1.697 178.266 176.600 -0.052 0.000 1.049 674 K CA 1.147 57.384 56.287 -0.083 0.000 0.933 674 K CB -0.099 32.349 32.500 -0.086 0.000 0.717 674 K HN 0.131 nan 8.250 nan 0.000 0.442 675 A N 0.159 122.941 122.820 -0.062 0.000 2.251 675 A HA 0.228 4.549 4.320 0.001 0.000 0.209 675 A C 0.921 178.521 177.584 0.025 0.000 1.187 675 A CA 0.547 52.599 52.037 0.025 0.000 0.823 675 A CB -0.349 18.739 19.000 0.146 0.000 0.846 675 A HN 0.463 nan 8.150 nan 0.000 0.486 676 G N -0.578 108.216 108.800 -0.010 0.000 2.314 676 G HA2 -0.240 3.720 3.960 0.001 0.000 0.292 676 G HA3 -0.240 3.720 3.960 0.001 0.000 0.292 676 G C -0.106 174.802 174.900 0.014 0.000 1.059 676 G CA 0.888 45.987 45.100 -0.002 0.000 0.982 676 G HN 0.492 nan 8.290 nan 0.000 0.505 677 M N -0.742 118.866 119.600 0.013 0.000 2.664 677 M HA 0.397 4.877 4.480 0.001 0.000 0.279 677 M C -0.029 176.282 176.300 0.019 0.000 1.275 677 M CA -1.077 54.248 55.300 0.041 0.000 0.829 677 M CB 1.760 34.429 32.600 0.115 0.000 1.727 677 M HN 0.308 nan 8.290 nan 0.000 0.459 678 N N 0.011 118.729 118.700 0.030 0.000 2.515 678 N HA 0.387 5.127 4.740 0.001 0.000 0.279 678 N C -2.604 172.932 175.510 0.044 0.000 1.164 678 N CA -1.351 51.709 53.050 0.017 0.000 0.982 678 N CB 0.314 38.808 38.487 0.012 0.000 1.170 678 N HN 0.147 nan 8.380 nan 0.000 0.474 679 P HA -0.254 nan 4.420 nan 0.000 0.217 679 P C 1.219 178.570 177.300 0.086 0.000 1.162 679 P CA 1.279 64.409 63.100 0.050 0.000 0.901 679 P CB 0.121 31.829 31.700 0.013 0.000 0.793 680 V N 0.238 120.177 119.914 0.042 0.000 2.255 680 V HA -0.265 3.856 4.120 0.001 0.000 0.247 680 V C 2.053 178.156 176.094 0.016 0.000 1.051 680 V CA 2.292 64.605 62.300 0.021 0.000 1.018 680 V CB -1.297 30.529 31.823 0.006 0.000 0.641 680 V HN 0.115 nan 8.190 nan 0.000 0.445 681 D N -1.025 119.392 120.400 0.027 0.000 2.104 681 D HA -0.216 4.425 4.640 0.001 0.000 0.194 681 D C 1.977 178.291 176.300 0.023 0.000 0.994 681 D CA 1.788 55.797 54.000 0.013 0.000 0.830 681 D CB -0.357 40.457 40.800 0.024 0.000 0.959 681 D HN 0.586 nan 8.370 nan 0.000 0.452 682 Y N 1.853 122.130 120.300 -0.039 0.000 2.165 682 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 682 Y C 2.347 178.218 175.900 -0.050 0.000 1.155 682 Y CA 2.050 60.128 58.100 -0.038 0.000 1.164 682 Y CB -0.477 37.965 38.460 -0.031 0.000 0.978 682 Y HN -0.106 nan 8.280 nan 0.000 0.513 683 T N -0.476 114.071 114.554 -0.011 0.000 2.777 683 T HA -0.160 4.191 4.350 0.001 0.000 0.266 683 T C 2.050 176.636 174.700 -0.190 0.000 1.040 683 T CA 1.602 63.636 62.100 -0.110 0.000 1.141 683 T CB -0.728 68.122 68.868 -0.029 0.000 0.868 683 T HN 0.212 nan 8.240 nan 0.000 0.444 684 V N 1.634 121.454 119.914 -0.158 0.000 2.407 684 V HA -0.168 3.953 4.120 0.001 0.000 0.248 684 V C 2.509 178.482 176.094 -0.202 0.000 1.055 684 V CA 1.644 63.827 62.300 -0.195 0.000 1.049 684 V CB -0.519 31.208 31.823 -0.159 0.000 0.662 684 V HN 0.450 nan 8.190 nan 0.000 0.455 685 K N 0.166 120.451 120.400 -0.191 0.000 2.001 685 K HA -0.162 4.159 4.320 0.001 0.000 0.208 685 K C 2.325 178.798 176.600 -0.212 0.000 1.048 685 K CA 1.847 58.026 56.287 -0.180 0.000 0.932 685 K CB -0.236 32.159 32.500 -0.176 0.000 0.715 685 K HN 0.440 nan 8.250 nan 0.000 0.437 686 S N 1.342 116.839 115.700 -0.338 0.000 2.400 686 S HA -0.111 4.359 4.470 0.001 0.000 0.232 686 S C 1.851 176.357 174.600 -0.156 0.000 1.025 686 S CA 1.098 59.112 58.200 -0.310 0.000 0.993 686 S CB -0.182 62.733 63.200 -0.474 0.000 0.808 686 S HN 0.265 nan 8.310 nan 0.000 0.478 687 L N 0.750 121.885 121.223 -0.146 0.000 2.072 687 L HA -0.040 4.301 4.340 0.001 0.000 0.205 687 L C 2.362 179.283 176.870 0.085 0.000 1.079 687 L CA 1.116 55.932 54.840 -0.041 0.000 0.752 687 L CB -0.318 41.662 42.059 -0.132 0.000 0.906 687 L HN 0.214 nan 8.230 nan 0.000 0.436 688 K N 0.205 120.602 120.400 -0.005 0.000 2.147 688 K HA -0.202 4.119 4.320 0.001 0.000 0.205 688 K C 1.869 178.537 176.600 0.113 0.000 1.049 688 K CA 1.672 58.027 56.287 0.114 0.000 0.936 688 K CB -0.023 32.484 32.500 0.012 0.000 0.722 688 K HN 0.485 nan 8.250 nan 0.000 0.446 689 E N -0.750 119.471 120.200 0.034 0.000 2.385 689 E HA 0.028 4.378 4.350 0.001 0.000 0.194 689 E C 1.019 177.639 176.600 0.033 0.000 1.013 689 E CA 0.675 57.088 56.400 0.023 0.000 0.866 689 E CB 0.354 30.044 29.700 -0.017 0.000 0.832 689 E HN 0.234 nan 8.360 nan 0.000 0.500 690 G N 1.427 110.255 108.800 0.046 0.000 2.176 690 G HA2 -0.364 3.596 3.960 0.001 0.000 0.232 690 G HA3 -0.364 3.596 3.960 0.001 0.000 0.232 690 G C 1.145 176.056 174.900 0.018 0.000 0.986 690 G CA 0.565 45.695 45.100 0.051 0.000 0.643 690 G HN 0.479 nan 8.290 nan 0.000 0.522 691 S N -0.816 114.875 115.700 -0.015 0.000 2.453 691 S HA 0.370 4.840 4.470 0.001 0.000 0.231 691 S C 0.923 175.508 174.600 -0.026 0.000 1.005 691 S CA 0.942 59.127 58.200 -0.024 0.000 0.949 691 S CB 0.308 63.475 63.200 -0.055 0.000 0.774 691 S HN 0.636 nan 8.310 nan 0.000 0.510 692 I N 1.528 122.073 120.570 -0.042 0.000 2.533 692 I HA 0.487 4.657 4.170 0.001 0.000 0.290 692 I C -0.370 175.729 176.117 -0.030 0.000 1.056 692 I CA -0.781 60.489 61.300 -0.051 0.000 1.057 692 I CB 2.175 40.113 38.000 -0.102 0.000 1.240 692 I HN 0.056 nan 8.210 nan 0.000 0.423 693 R N 4.387 124.877 120.500 -0.017 0.000 2.854 693 R HA 0.560 4.901 4.340 0.001 0.000 0.271 693 R C -1.289 175.009 176.300 -0.003 0.000 0.994 693 R CA -0.882 55.246 56.100 0.048 0.000 0.945 693 R CB 1.953 32.306 30.300 0.088 0.000 1.194 693 R HN 0.259 nan 8.270 nan 0.000 0.476 694 F N 0.982 120.970 119.950 0.064 0.000 2.495 694 F HA 0.069 4.596 4.527 0.001 0.000 0.365 694 F C 1.607 177.430 175.800 0.040 0.000 1.090 694 F CA 0.368 58.401 58.000 0.056 0.000 1.235 694 F CB 1.041 40.075 39.000 0.056 0.000 1.119 694 F HN 0.759 nan 8.300 nan 0.000 0.562 695 A N 3.602 126.524 122.820 0.171 0.000 1.986 695 A HA -0.176 4.144 4.320 0.001 0.000 0.220 695 A C 2.279 179.936 177.584 0.122 0.000 1.171 695 A CA 1.748 53.865 52.037 0.133 0.000 0.640 695 A CB -1.083 17.996 19.000 0.132 0.000 0.811 695 A HN 0.873 nan 8.150 nan 0.000 0.451 696 A N -0.355 122.544 122.820 0.132 0.000 2.076 696 A HA -0.169 4.151 4.320 0.001 0.000 0.220 696 A C 1.847 179.408 177.584 -0.039 0.000 1.160 696 A CA 1.572 53.621 52.037 0.020 0.000 0.653 696 A CB -0.430 18.572 19.000 0.004 0.000 0.801 696 A HN 0.695 nan 8.150 nan 0.000 0.455 697 E N -0.546 119.669 120.200 0.024 0.000 2.107 697 E HA -0.103 4.248 4.350 0.001 0.000 0.191 697 E C 0.361 176.951 176.600 -0.016 0.000 0.982 697 E CA 0.808 57.201 56.400 -0.011 0.000 0.809 697 E CB 0.001 29.725 29.700 0.039 0.000 0.756 697 E HN 0.726 nan 8.360 nan 0.000 0.459 698 Q N 0.433 120.247 119.800 0.024 0.000 2.965 698 Q HA 0.136 4.476 4.340 0.001 0.000 0.288 698 Q C -2.120 173.920 176.000 0.066 0.000 0.974 698 Q CA -1.327 54.500 55.803 0.040 0.000 0.849 698 Q CB 1.378 30.150 28.738 0.057 0.000 1.280 698 Q HN 0.099 nan 8.270 nan 0.000 0.441 699 P HA -0.143 nan 4.420 nan 0.000 0.226 699 P C 0.033 177.423 177.300 0.150 0.000 1.153 699 P CA 1.054 64.216 63.100 0.105 0.000 0.777 699 P CB 0.459 32.174 31.700 0.025 0.000 0.794 700 E N -0.027 120.235 120.200 0.103 0.000 2.651 700 E HA 0.036 4.387 4.350 0.001 0.000 0.208 700 E C 0.963 177.610 176.600 0.078 0.000 0.997 700 E CA -0.200 56.242 56.400 0.071 0.000 1.020 700 E CB -0.218 29.488 29.700 0.011 0.000 1.052 700 E HN 0.252 nan 8.360 nan 0.000 0.465 701 N N 0.333 119.099 118.700 0.112 0.000 2.461 701 N HA -0.038 4.703 4.740 0.001 0.000 0.188 701 N C 1.237 176.832 175.510 0.141 0.000 1.134 701 N CA 0.985 54.097 53.050 0.103 0.000 0.878 701 N CB 0.461 39.004 38.487 0.093 0.000 0.972 701 N HN 0.231 nan 8.380 nan 0.000 0.456 702 G N 0.225 109.151 108.800 0.211 0.000 2.195 702 G HA2 -0.306 3.655 3.960 0.001 0.000 0.246 702 G HA3 -0.306 3.655 3.960 0.001 0.000 0.246 702 G C 0.869 175.924 174.900 0.260 0.000 0.984 702 G CA 0.523 45.797 45.100 0.290 0.000 0.633 702 G HN 0.502 nan 8.290 nan 0.000 0.525 703 K N -0.598 119.915 120.400 0.188 0.000 2.464 703 K HA 0.185 4.505 4.320 0.001 0.000 0.206 703 K C 0.736 177.355 176.600 0.031 0.000 1.186 703 K CA 0.009 56.386 56.287 0.150 0.000 0.990 703 K CB 0.333 32.949 32.500 0.194 0.000 1.003 703 K HN 0.168 nan 8.250 nan 0.000 0.562 704 N N 1.878 120.630 118.700 0.087 0.000 2.376 704 N HA 0.020 4.760 4.740 0.001 0.000 0.249 704 N C -0.857 174.733 175.510 0.133 0.000 1.140 704 N CA 0.086 53.196 53.050 0.100 0.000 0.870 704 N CB 0.245 38.819 38.487 0.145 0.000 1.124 704 N HN 0.365 nan 8.380 nan 0.000 0.505 705 H N -1.337 117.716 119.070 -0.029 0.000 2.797 705 H HA 0.521 5.078 4.556 0.001 0.000 0.372 705 H C -3.097 172.079 175.328 -0.252 0.000 1.168 705 H CA -2.087 53.842 56.048 -0.198 0.000 1.163 705 H CB 1.437 31.138 29.762 -0.101 0.000 1.778 705 H HN -0.175 nan 8.280 nan 0.000 0.551 706 P HA 0.210 nan 4.420 nan 0.000 0.271 706 P C -0.020 177.272 177.300 -0.014 0.000 1.216 706 P CA -0.210 62.818 63.100 -0.120 0.000 0.776 706 P CB 1.736 33.414 31.700 -0.036 0.000 0.881 707 R N 1.546 122.035 120.500 -0.018 0.000 2.287 707 R HA 0.197 4.537 4.340 0.001 0.000 0.197 707 R C 0.427 176.794 176.300 0.112 0.000 0.900 707 R CA 0.239 56.365 56.100 0.042 0.000 1.052 707 R CB 0.370 30.641 30.300 -0.049 0.000 1.117 707 R HN 0.577 nan 8.270 nan 0.000 0.568 708 N N 0.710 119.463 118.700 0.087 0.000 2.354 708 N HA 0.323 5.063 4.740 0.001 0.000 0.287 708 N C -1.948 173.591 175.510 0.047 0.000 1.016 708 N CA -0.506 52.562 53.050 0.030 0.000 0.871 708 N CB 2.409 40.886 38.487 -0.015 0.000 1.299 708 N HN -0.158 nan 8.380 nan 0.000 0.482 709 L N 3.330 124.559 121.223 0.011 0.000 2.406 709 L HA 0.567 4.908 4.340 0.001 0.000 0.272 709 L C -1.731 175.199 176.870 0.101 0.000 0.980 709 L CA -0.452 54.477 54.840 0.149 0.000 0.831 709 L CB 0.735 42.948 42.059 0.257 0.000 1.253 709 L HN 0.372 nan 8.230 nan 0.000 0.406 710 F N 5.711 125.877 119.950 0.361 0.000 2.408 710 F HA 0.601 5.129 4.527 0.001 0.000 0.344 710 F C 0.148 176.319 175.800 0.619 0.000 1.112 710 F CA -0.210 58.046 58.000 0.427 0.000 1.096 710 F CB 1.238 40.487 39.000 0.415 0.000 1.129 710 F HN 0.237 nan 8.300 nan 0.000 0.486 711 I N 3.405 124.446 120.570 0.786 0.000 2.478 711 I HA 0.384 4.554 4.170 0.001 0.000 0.287 711 I C -1.483 175.115 176.117 0.801 0.000 1.042 711 I CA -0.694 61.049 61.300 0.739 0.000 1.067 711 I CB 1.534 39.825 38.000 0.484 0.000 1.233 711 I HN 0.750 nan 8.210 nan 0.000 0.431 712 W N 5.088 126.611 121.300 0.371 0.000 3.372 712 W HA 0.668 5.328 4.660 0.001 0.000 0.315 712 W C -0.340 176.355 176.519 0.292 0.000 1.223 712 W CA -1.088 56.441 57.345 0.307 0.000 1.202 712 W CB 0.868 30.537 29.460 0.348 0.000 1.367 712 W HN 0.533 nan 8.180 nan 0.000 0.531 713 R N 1.148 121.817 120.500 0.281 0.000 3.776 713 R HA -0.169 4.171 4.340 0.001 0.000 0.312 713 R C -0.423 175.976 176.300 0.166 0.000 1.181 713 R CA 1.317 57.525 56.100 0.180 0.000 0.836 713 R CB -2.028 28.319 30.300 0.078 0.000 1.324 713 R HN 0.691 nan 8.270 nan 0.000 0.501 714 S N -0.582 115.251 115.700 0.221 0.000 2.533 714 S HA 0.381 4.852 4.470 0.001 0.000 0.271 714 S C -0.907 173.826 174.600 0.222 0.000 1.143 714 S CA -0.853 57.519 58.200 0.287 0.000 0.891 714 S CB 1.812 65.317 63.200 0.507 0.000 1.105 714 S HN 0.346 nan 8.310 nan 0.000 0.468 715 N N 3.759 122.568 118.700 0.181 0.000 2.610 715 N HA 0.177 4.917 4.740 0.001 0.000 0.309 715 N C 1.087 176.679 175.510 0.138 0.000 1.536 715 N CA -0.246 52.886 53.050 0.137 0.000 0.954 715 N CB 0.141 38.685 38.487 0.096 0.000 1.310 715 N HN 0.581 nan 8.380 nan 0.000 0.502 716 L N 0.936 122.241 121.223 0.137 0.000 1.944 716 L HA -0.184 4.157 4.340 0.001 0.000 0.218 716 L C 1.636 178.548 176.870 0.069 0.000 1.075 716 L CA 1.968 56.838 54.840 0.051 0.000 0.767 716 L CB -0.491 41.493 42.059 -0.126 0.000 0.890 716 L HN 0.384 nan 8.230 nan 0.000 0.434 717 L N -0.743 120.530 121.223 0.084 0.000 2.353 717 L HA -0.042 4.299 4.340 0.001 0.000 0.220 717 L C 1.758 178.738 176.870 0.183 0.000 1.133 717 L CA 0.840 55.737 54.840 0.096 0.000 0.798 717 L CB -0.972 41.136 42.059 0.082 0.000 0.922 717 L HN 0.572 nan 8.230 nan 0.000 0.445 718 G N -2.284 106.612 108.800 0.161 0.000 3.863 718 G HA2 0.275 4.235 3.960 0.001 0.000 0.290 718 G HA3 0.275 4.235 3.960 0.001 0.000 0.290 718 G C 0.663 175.595 174.900 0.053 0.000 1.018 718 G CA 0.647 45.821 45.100 0.122 0.000 0.824 718 G HN 0.213 nan 8.290 nan 0.000 0.507 719 S N -1.059 114.699 115.700 0.096 0.000 3.327 719 S HA -0.079 4.392 4.470 0.001 0.000 0.175 719 S C 1.904 176.637 174.600 0.220 0.000 0.888 719 S CA 1.268 59.560 58.200 0.153 0.000 1.332 719 S CB -0.809 62.450 63.200 0.099 0.000 1.191 719 S HN 0.420 nan 8.310 nan 0.000 0.367 720 S N 1.305 117.095 115.700 0.150 0.000 2.414 720 S HA 0.297 4.768 4.470 0.001 0.000 0.227 720 S C 1.100 175.716 174.600 0.027 0.000 1.022 720 S CA 1.082 59.345 58.200 0.106 0.000 0.958 720 S CB -0.701 62.559 63.200 0.099 0.000 0.797 720 S HN 0.886 nan 8.310 nan 0.000 0.493 721 G N 1.954 110.814 108.800 0.100 0.000 2.354 721 G HA2 0.413 4.374 3.960 0.001 0.000 0.266 721 G HA3 0.413 4.374 3.960 0.001 0.000 0.266 721 G C -0.649 174.293 174.900 0.070 0.000 1.242 721 G CA -0.478 44.715 45.100 0.155 0.000 0.923 721 G HN 0.352 nan 8.290 nan 0.000 0.476 722 K N 1.161 121.544 120.400 -0.028 0.000 2.295 722 K HA 0.486 4.807 4.320 0.001 0.000 0.270 722 K C 1.028 177.733 176.600 0.176 0.000 1.011 722 K CA 0.926 57.210 56.287 -0.005 0.000 0.953 722 K CB 1.092 33.531 32.500 -0.102 0.000 0.956 722 K HN 1.011 nan 8.250 nan 0.000 0.477 723 G N 1.870 110.789 108.800 0.200 0.000 2.289 723 G HA2 -0.310 3.651 3.960 0.001 0.000 0.280 723 G HA3 -0.310 3.651 3.960 0.001 0.000 0.280 723 G C 0.599 175.732 174.900 0.387 0.000 1.089 723 G CA 0.747 46.075 45.100 0.380 0.000 0.939 723 G HN 0.916 nan 8.290 nan 0.000 0.499 724 H N 0.217 119.380 119.070 0.155 0.000 2.289 724 H HA -0.130 4.427 4.556 0.000 0.000 0.294 724 H C 2.391 177.734 175.328 0.024 0.000 1.095 724 H CA 2.495 58.581 56.048 0.065 0.000 1.256 724 H CB 0.304 30.081 29.762 0.026 0.000 1.359 724 H HN 0.454 nan 8.280 nan 0.000 0.487 725 E N -0.123 120.024 120.200 -0.089 0.000 2.153 725 E HA -0.153 4.197 4.350 0.001 0.000 0.194 725 E C 2.230 178.622 176.600 -0.348 0.000 0.988 725 E CA 0.950 57.182 56.400 -0.280 0.000 0.811 725 E CB -0.479 29.044 29.700 -0.295 0.000 0.746 725 E HN 0.576 nan 8.360 nan 0.000 0.466 726 F N 0.438 120.322 119.950 -0.111 0.000 2.259 726 F HA -0.027 4.501 4.527 0.001 0.000 0.298 726 F C 2.479 178.293 175.800 0.023 0.000 1.088 726 F CA 0.787 58.764 58.000 -0.037 0.000 1.358 726 F CB -0.459 38.546 39.000 0.008 0.000 1.040 726 F HN -0.047 nan 8.300 nan 0.000 0.505 727 M N -0.535 119.148 119.600 0.138 0.000 2.254 727 M HA -0.131 4.349 4.480 0.001 0.000 0.265 727 M C 2.164 178.432 176.300 -0.053 0.000 1.066 727 M CA 1.359 56.699 55.300 0.066 0.000 1.123 727 M CB -0.588 32.017 32.600 0.007 0.000 1.388 727 M HN 0.224 nan 8.290 nan 0.000 0.425 728 L N 0.116 121.218 121.223 -0.202 0.000 2.027 728 L HA -0.202 4.139 4.340 0.001 0.000 0.206 728 L C 2.644 179.420 176.870 -0.156 0.000 1.074 728 L CA 1.371 56.080 54.840 -0.219 0.000 0.745 728 L CB -0.675 41.194 42.059 -0.316 0.000 0.898 728 L HN 0.330 nan 8.230 nan 0.000 0.433 729 K N -0.148 120.101 120.400 -0.251 0.000 1.984 729 K HA -0.187 4.133 4.320 0.001 0.000 0.209 729 K C 2.168 178.489 176.600 -0.465 0.000 1.046 729 K CA 1.713 57.725 56.287 -0.458 0.000 0.934 729 K CB -0.202 31.715 32.500 -0.972 0.000 0.717 729 K HN 0.129 nan 8.250 nan 0.000 0.438 730 Y N 0.464 120.711 120.300 -0.087 0.000 2.365 730 Y HA 0.008 4.559 4.550 0.001 0.000 0.293 730 Y C 2.002 177.886 175.900 -0.026 0.000 1.119 730 Y CA 0.526 58.595 58.100 -0.051 0.000 1.203 730 Y CB 0.163 38.614 38.460 -0.015 0.000 1.026 730 Y HN -0.005 nan 8.280 nan 0.000 0.549 731 L N -0.970 120.332 121.223 0.132 0.000 2.168 731 L HA -0.042 4.298 4.340 0.001 0.000 0.203 731 L C 1.801 178.710 176.870 0.064 0.000 1.078 731 L CA 0.824 55.732 54.840 0.113 0.000 0.780 731 L CB -0.287 41.863 42.059 0.152 0.000 0.939 731 L HN 0.228 nan 8.230 nan 0.000 0.451 732 L N -0.704 120.536 121.223 0.029 0.000 2.298 732 L HA 0.225 4.566 4.340 0.001 0.000 0.209 732 L C 1.278 178.136 176.870 -0.020 0.000 1.084 732 L CA 0.643 55.501 54.840 0.029 0.000 0.816 732 L CB -0.505 41.586 42.059 0.054 0.000 0.967 732 L HN 0.448 nan 8.230 nan 0.000 0.460 733 G N 1.244 110.007 108.800 -0.062 0.000 2.256 733 G HA2 -0.247 3.713 3.960 0.001 0.000 0.272 733 G HA3 -0.247 3.713 3.960 0.001 0.000 0.272 733 G C 0.134 174.994 174.900 -0.066 0.000 1.076 733 G CA 0.568 45.612 45.100 -0.093 0.000 0.882 733 G HN 0.310 nan 8.290 nan 0.000 0.497 734 T N -1.132 113.402 114.554 -0.033 0.000 2.905 734 T HA 0.566 4.916 4.350 0.001 0.000 0.283 734 T C 0.370 175.078 174.700 0.014 0.000 1.031 734 T CA -0.312 61.793 62.100 0.008 0.000 1.002 734 T CB 1.174 70.098 68.868 0.092 0.000 1.200 734 T HN 0.295 nan 8.240 nan 0.000 0.560 735 E N 1.577 121.784 120.200 0.013 0.000 2.413 735 E HA 0.166 4.517 4.350 0.001 0.000 0.263 735 E C -0.138 176.449 176.600 -0.023 0.000 1.015 735 E CA 0.068 56.449 56.400 -0.033 0.000 0.916 735 E CB 0.256 29.921 29.700 -0.059 0.000 0.947 735 E HN 0.589 nan 8.360 nan 0.000 0.440 736 H N -0.219 118.774 119.070 -0.129 0.000 2.908 736 H HA 0.496 5.052 4.556 0.001 0.000 0.350 736 H C -0.067 175.171 175.328 -0.151 0.000 1.217 736 H CA -1.069 54.877 56.048 -0.171 0.000 1.168 736 H CB 1.474 31.076 29.762 -0.266 0.000 1.891 736 H HN 0.574 nan 8.280 nan 0.000 0.566 737 G N 0.952 109.689 108.800 -0.105 0.000 3.899 737 G HA2 0.262 4.223 3.960 0.001 0.000 0.293 737 G HA3 0.262 4.223 3.960 0.001 0.000 0.293 737 G C 0.205 175.063 174.900 -0.070 0.000 1.054 737 G CA -0.363 44.661 45.100 -0.126 0.000 0.846 737 G HN 0.494 nan 8.290 nan 0.000 0.525 738 I N 0.879 121.475 120.570 0.044 0.000 2.683 738 I HA -0.008 4.163 4.170 0.001 0.000 0.286 738 I C 1.192 177.301 176.117 -0.013 0.000 1.175 738 I CA 0.031 61.257 61.300 -0.124 0.000 1.429 738 I CB 1.350 39.152 38.000 -0.330 0.000 1.371 738 I HN 0.094 nan 8.210 nan 0.000 0.569 739 Q N 4.534 124.339 119.800 0.009 0.000 2.394 739 Q HA 0.191 4.532 4.340 0.001 0.000 0.218 739 Q C 0.927 176.993 176.000 0.111 0.000 0.907 739 Q CA 0.219 56.057 55.803 0.058 0.000 0.919 739 Q CB 0.369 29.157 28.738 0.083 0.000 1.051 739 Q HN 0.844 nan 8.270 nan 0.000 0.538 740 G N 1.024 109.918 108.800 0.158 0.000 2.580 740 G HA2 0.350 4.310 3.960 0.001 0.000 0.278 740 G HA3 0.350 4.310 3.960 0.001 0.000 0.278 740 G C -0.518 174.560 174.900 0.297 0.000 1.212 740 G CA -0.405 44.827 45.100 0.219 0.000 0.939 740 G HN -0.043 nan 8.290 nan 0.000 0.513 741 K N -0.025 120.517 120.400 0.237 0.000 2.110 741 K HA 0.277 4.598 4.320 0.001 0.000 0.263 741 K C 0.155 176.806 176.600 0.084 0.000 0.975 741 K CA -0.580 55.810 56.287 0.171 0.000 0.895 741 K CB 1.369 33.924 32.500 0.091 0.000 1.060 741 K HN 0.705 nan 8.250 nan 0.000 0.448 742 D N 1.299 121.584 120.400 -0.192 0.000 2.025 742 D HA -0.123 4.517 4.640 0.001 0.000 0.270 742 D C 0.885 177.048 176.300 -0.229 0.000 1.135 742 D CA 0.057 53.664 54.000 -0.654 0.000 0.978 742 D CB 0.007 40.349 40.800 -0.763 0.000 1.178 742 D HN 0.224 nan 8.370 nan 0.000 0.487 743 L N -1.263 119.881 121.223 -0.131 0.000 2.269 743 L HA 0.346 4.686 4.340 0.001 0.000 0.200 743 L C 2.278 179.030 176.870 -0.197 0.000 1.069 743 L CA 1.549 56.302 54.840 -0.146 0.000 0.804 743 L CB -0.893 41.026 42.059 -0.235 0.000 0.987 743 L HN 0.600 nan 8.230 nan 0.000 0.468 744 G N -1.440 107.331 108.800 -0.049 0.000 2.990 744 G HA2 -0.102 3.859 3.960 0.001 0.000 0.206 744 G HA3 -0.102 3.859 3.960 0.001 0.000 0.206 744 G C 1.116 176.035 174.900 0.033 0.000 1.169 744 G CA 0.324 45.422 45.100 -0.004 0.000 0.819 744 G HN 0.483 nan 8.290 nan 0.000 0.517 745 Q N -1.161 118.642 119.800 0.004 0.000 2.532 745 Q HA 0.100 4.441 4.340 0.001 0.000 0.247 745 Q C 1.695 177.691 176.000 -0.006 0.000 0.872 745 Q CA -0.039 55.771 55.803 0.012 0.000 0.963 745 Q CB 0.389 29.142 28.738 0.026 0.000 1.159 745 Q HN 0.413 nan 8.270 nan 0.000 0.598 746 Q N 0.350 120.138 119.800 -0.020 0.000 2.265 746 Q HA 0.107 4.448 4.340 0.001 0.000 0.217 746 Q C 0.625 176.603 176.000 -0.037 0.000 0.916 746 Q CA 0.445 56.239 55.803 -0.015 0.000 0.948 746 Q CB 0.381 29.116 28.738 -0.004 0.000 1.020 746 Q HN 0.548 nan 8.270 nan 0.000 0.462 747 G N 0.916 109.685 108.800 -0.052 0.000 3.548 747 G HA2 -0.399 3.561 3.960 0.001 0.000 0.224 747 G HA3 -0.399 3.561 3.960 0.001 0.000 0.224 747 G C 0.625 175.459 174.900 -0.110 0.000 1.351 747 G CA 0.014 45.074 45.100 -0.067 0.000 0.905 747 G HN 0.796 nan 8.290 nan 0.000 0.561 748 G N -0.492 108.250 108.800 -0.097 0.000 3.125 748 G HA2 0.190 4.150 3.960 0.001 0.000 0.301 748 G HA3 0.190 4.150 3.960 0.001 0.000 0.301 748 G C 0.324 175.134 174.900 -0.150 0.000 0.260 748 G CA 0.740 45.772 45.100 -0.114 0.000 1.237 748 G HN 1.833 nan 8.290 nan 0.000 0.364 749 V N 3.892 123.748 119.914 -0.097 0.000 2.408 749 V HA 0.349 4.469 4.120 0.001 0.000 0.267 749 V C 0.998 177.055 176.094 -0.062 0.000 1.047 749 V CA -0.553 61.697 62.300 -0.082 0.000 0.937 749 V CB 0.280 32.083 31.823 -0.033 0.000 0.999 749 V HN 0.761 nan 8.190 nan 0.000 0.472 750 K N 6.872 127.184 120.400 -0.147 0.000 2.219 750 K HA 0.350 4.670 4.320 0.001 0.000 0.258 750 K C -2.346 174.298 176.600 0.073 0.000 1.008 750 K CA -1.305 54.913 56.287 -0.114 0.000 0.928 750 K CB 0.033 32.336 32.500 -0.328 0.000 0.983 750 K HN 0.486 nan 8.250 nan 0.000 0.484 751 P HA -0.061 nan 4.420 nan 0.000 0.269 751 P C -0.271 177.061 177.300 0.053 0.000 1.211 751 P CA 0.240 63.412 63.100 0.121 0.000 0.781 751 P CB 0.438 32.135 31.700 -0.006 0.000 0.877 752 E N 0.549 120.759 120.200 0.017 0.000 2.431 752 E HA -0.023 4.328 4.350 0.001 0.000 0.200 752 E C 0.857 177.427 176.600 -0.050 0.000 0.995 752 E CA 0.365 56.753 56.400 -0.019 0.000 0.915 752 E CB 0.219 29.894 29.700 -0.041 0.000 0.930 752 E HN 0.474 nan 8.360 nan 0.000 0.496 753 E N 0.440 120.598 120.200 -0.071 0.000 2.465 753 E HA 0.106 4.457 4.350 0.001 0.000 0.209 753 E C 0.167 176.706 176.600 -0.102 0.000 0.951 753 E CA 0.261 56.601 56.400 -0.100 0.000 0.997 753 E CB 1.436 31.054 29.700 -0.135 0.000 1.025 753 E HN -0.028 nan 8.360 nan 0.000 0.500 754 V N 2.641 122.482 119.914 -0.123 0.000 2.513 754 V HA 0.202 4.322 4.120 0.001 0.000 0.299 754 V C -0.101 175.992 176.094 -0.002 0.000 1.035 754 V CA -1.057 61.152 62.300 -0.152 0.000 0.889 754 V CB 1.923 33.481 31.823 -0.442 0.000 0.988 754 V HN -0.087 nan 8.190 nan 0.000 0.440 755 D N 2.651 123.074 120.400 0.039 0.000 2.419 755 D HA 0.043 4.684 4.640 0.001 0.000 0.236 755 D C -0.435 176.024 176.300 0.265 0.000 1.165 755 D CA 0.309 54.384 54.000 0.126 0.000 0.882 755 D CB 0.752 41.601 40.800 0.082 0.000 1.201 755 D HN 0.623 nan 8.370 nan 0.000 0.443 756 W N 1.503 122.864 121.300 0.101 0.000 2.736 756 W HA 0.351 5.010 4.660 -0.000 0.000 0.335 756 W C -1.356 175.207 176.519 0.072 0.000 1.059 756 W CA -0.571 56.852 57.345 0.130 0.000 1.226 756 W CB 1.240 30.764 29.460 0.107 0.000 1.416 756 W HN 0.269 nan 8.180 nan 0.000 0.505 757 Q N 3.440 122.605 119.800 -1.058 0.000 2.347 757 Q HA 0.110 4.450 4.340 0.001 0.000 0.271 757 Q C 0.291 175.716 176.000 -0.958 0.000 1.064 757 Q CA -0.684 54.711 55.803 -0.681 0.000 0.800 757 Q CB 2.876 31.376 28.738 -0.396 0.000 1.304 757 Q HN 0.411 nan 8.270 nan 0.000 0.438 758 D N 0.548 120.759 120.400 -0.315 0.000 2.269 758 D HA -0.046 4.594 4.640 0.001 0.000 0.208 758 D C -0.277 175.934 176.300 -0.150 0.000 0.963 758 D CA 1.133 55.093 54.000 -0.065 0.000 0.864 758 D CB 0.390 41.254 40.800 0.107 0.000 0.936 758 D HN 0.340 nan 8.370 nan 0.000 0.505 759 N N 0.679 119.272 118.700 -0.179 0.000 2.569 759 N HA 0.281 5.021 4.740 0.001 0.000 0.254 759 N C 0.074 175.495 175.510 -0.147 0.000 1.004 759 N CA -0.176 52.803 53.050 -0.119 0.000 0.904 759 N CB 1.905 40.355 38.487 -0.061 0.000 1.165 759 N HN -0.108 nan 8.380 nan 0.000 0.513 760 G N 1.050 109.776 108.800 -0.124 0.000 2.491 760 G HA2 0.204 4.164 3.960 0.001 0.000 0.242 760 G HA3 0.204 4.164 3.960 0.001 0.000 0.242 760 G C 0.255 175.174 174.900 0.032 0.000 1.266 760 G CA -0.371 44.684 45.100 -0.075 0.000 0.844 760 G HN 0.466 nan 8.290 nan 0.000 0.571 761 L N 0.908 122.129 121.223 -0.004 0.000 2.499 761 L HA 0.279 4.619 4.340 0.001 0.000 0.273 761 L C 0.462 177.358 176.870 0.043 0.000 1.195 761 L CA 0.456 55.281 54.840 -0.024 0.000 0.882 761 L CB 0.240 42.242 42.059 -0.096 0.000 1.133 761 L HN 0.626 nan 8.230 nan 0.000 0.483 762 E N 2.811 122.990 120.200 -0.034 0.000 2.281 762 E HA 0.576 4.926 4.350 0.001 0.000 0.262 762 E C 0.226 176.772 176.600 -0.091 0.000 0.933 762 E CA -0.471 55.885 56.400 -0.074 0.000 0.809 762 E CB 1.366 30.973 29.700 -0.155 0.000 1.242 762 E HN 0.866 nan 8.360 nan 0.000 0.418 763 G N 1.818 110.567 108.800 -0.085 0.000 2.338 763 G HA2 -0.350 3.610 3.960 0.001 0.000 0.296 763 G HA3 -0.350 3.610 3.960 0.001 0.000 0.296 763 G C 0.549 175.414 174.900 -0.060 0.000 1.040 763 G CA 0.888 45.943 45.100 -0.075 0.000 1.004 763 G HN 0.508 nan 8.290 nan 0.000 0.509 764 K N -1.067 119.300 120.400 -0.055 0.000 2.147 764 K HA 0.038 4.358 4.320 0.001 0.000 0.205 764 K C 1.411 178.082 176.600 0.119 0.000 1.049 764 K CA 0.656 56.899 56.287 -0.074 0.000 0.936 764 K CB 0.006 32.439 32.500 -0.112 0.000 0.722 764 K HN 0.517 nan 8.250 nan 0.000 0.446 765 L N 2.174 123.460 121.223 0.106 0.000 2.315 765 L HA 0.014 4.354 4.340 0.001 0.000 0.283 765 L C 0.600 177.565 176.870 0.159 0.000 1.089 765 L CA -0.468 54.459 54.840 0.145 0.000 0.833 765 L CB 0.845 42.995 42.059 0.151 0.000 1.170 765 L HN 0.068 nan 8.230 nan 0.000 0.442 766 D N 2.410 122.941 120.400 0.218 0.000 2.194 766 D HA 0.046 4.687 4.640 0.001 0.000 0.204 766 D C 0.079 176.687 176.300 0.512 0.000 0.964 766 D CA 1.224 55.432 54.000 0.347 0.000 0.846 766 D CB 0.414 41.477 40.800 0.439 0.000 0.962 766 D HN 0.172 nan 8.370 nan 0.000 0.490 767 L N 0.194 121.613 121.223 0.327 0.000 2.493 767 L HA 0.331 4.672 4.340 0.001 0.000 0.265 767 L C -1.614 175.312 176.870 0.093 0.000 0.954 767 L CA -0.669 54.306 54.840 0.225 0.000 0.844 767 L CB 2.447 44.520 42.059 0.024 0.000 1.302 767 L HN -0.351 nan 8.230 nan 0.000 0.405 768 V N 5.497 125.482 119.914 0.118 0.000 2.407 768 V HA 0.600 4.720 4.120 0.001 0.000 0.291 768 V C -0.621 175.514 176.094 0.069 0.000 1.018 768 V CA -0.647 61.717 62.300 0.106 0.000 0.842 768 V CB 1.792 33.725 31.823 0.184 0.000 0.996 768 V HN 0.486 nan 8.190 nan 0.000 0.426 769 V N 4.077 123.999 119.914 0.013 0.000 2.448 769 V HA 0.585 4.706 4.120 0.001 0.000 0.295 769 V C 0.123 176.333 176.094 0.193 0.000 1.025 769 V CA -0.209 62.117 62.300 0.043 0.000 0.859 769 V CB 2.111 33.892 31.823 -0.070 0.000 0.988 769 V HN 0.909 nan 8.190 nan 0.000 0.431 770 T N 6.146 120.803 114.554 0.171 0.000 2.824 770 T HA 0.682 5.032 4.350 0.001 0.000 0.282 770 T C -0.804 173.994 174.700 0.163 0.000 0.993 770 T CA -0.420 61.810 62.100 0.216 0.000 0.967 770 T CB 1.430 70.404 68.868 0.176 0.000 0.960 770 T HN 0.225 nan 8.240 nan 0.000 0.441 771 L N 3.748 125.114 121.223 0.238 0.000 2.296 771 L HA 0.701 5.042 4.340 0.001 0.000 0.286 771 L C 0.110 177.076 176.870 0.160 0.000 1.023 771 L CA -0.080 54.874 54.840 0.189 0.000 0.812 771 L CB 1.218 43.416 42.059 0.232 0.000 1.223 771 L HN 0.612 nan 8.230 nan 0.000 0.421 772 D N 0.858 121.289 120.400 0.052 0.000 2.665 772 D HA 0.298 4.938 4.640 0.001 0.000 0.287 772 D C -0.325 175.908 176.300 -0.111 0.000 1.266 772 D CA -0.334 53.598 54.000 -0.113 0.000 0.830 772 D CB 1.712 42.389 40.800 -0.205 0.000 1.356 772 D HN 0.199 nan 8.370 nan 0.000 0.437 773 F N -0.170 119.728 119.950 -0.088 0.000 2.706 773 F HA 0.405 4.933 4.527 0.001 0.000 0.308 773 F C 0.664 176.344 175.800 -0.200 0.000 1.095 773 F CA -0.518 57.392 58.000 -0.150 0.000 1.244 773 F CB 0.101 38.970 39.000 -0.218 0.000 1.063 773 F HN 0.149 nan 8.300 nan 0.000 0.582 774 R N 0.685 120.963 120.500 -0.370 0.000 2.795 774 R HA 0.580 4.920 4.340 0.001 0.000 0.275 774 R C -1.559 174.640 176.300 -0.168 0.000 0.981 774 R CA -0.972 55.017 56.100 -0.185 0.000 0.917 774 R CB 1.768 31.940 30.300 -0.213 0.000 1.202 774 R HN 0.305 nan 8.270 nan 0.000 0.469 775 L N 3.581 124.758 121.223 -0.077 0.000 2.385 775 L HA 0.169 4.510 4.340 0.001 0.000 0.285 775 L C -0.030 176.836 176.870 -0.007 0.000 1.125 775 L CA -0.119 54.681 54.840 -0.067 0.000 0.890 775 L CB 0.550 42.574 42.059 -0.059 0.000 1.251 775 L HN 0.957 nan 8.230 nan 0.000 0.445 776 S N 1.481 117.172 115.700 -0.015 0.000 2.686 776 S HA 0.249 4.720 4.470 0.001 0.000 0.270 776 S C 1.203 175.871 174.600 0.112 0.000 1.194 776 S CA -0.383 57.841 58.200 0.039 0.000 0.990 776 S CB 1.605 64.810 63.200 0.009 0.000 1.029 776 S HN 0.569 nan 8.310 nan 0.000 0.560 777 S N 0.547 116.336 115.700 0.150 0.000 2.399 777 S HA -0.084 4.387 4.470 0.001 0.000 0.231 777 S C 1.839 176.633 174.600 0.324 0.000 1.022 777 S CA 1.701 60.047 58.200 0.243 0.000 0.983 777 S CB -0.867 62.455 63.200 0.203 0.000 0.803 777 S HN 0.836 nan 8.310 nan 0.000 0.480 778 T N 1.020 115.711 114.554 0.229 0.000 2.857 778 T HA -0.063 4.288 4.350 0.001 0.000 0.266 778 T C 2.018 176.871 174.700 0.255 0.000 1.048 778 T CA 1.017 63.263 62.100 0.243 0.000 1.139 778 T CB -0.448 68.532 68.868 0.187 0.000 0.874 778 T HN 0.452 nan 8.240 nan 0.000 0.455 779 C N 0.955 120.359 119.300 0.173 0.000 2.446 779 C HA 0.066 4.527 4.460 0.001 0.000 0.277 779 C C 2.571 177.683 174.990 0.203 0.000 1.275 779 C CA 0.062 59.144 59.018 0.106 0.000 1.727 779 C CB -1.280 26.443 27.740 -0.029 0.000 2.010 779 C HN 0.431 nan 8.230 nan 0.000 0.486 780 L N -0.524 120.845 121.223 0.242 0.000 2.261 780 L HA -0.148 4.192 4.340 0.001 0.000 0.216 780 L C 1.438 178.400 176.870 0.153 0.000 1.114 780 L CA 1.889 56.890 54.840 0.268 0.000 0.777 780 L CB -0.570 41.584 42.059 0.157 0.000 0.910 780 L HN 0.462 nan 8.230 nan 0.000 0.440 781 Y N -2.075 118.374 120.300 0.249 0.000 2.507 781 Y HA 0.292 4.843 4.550 0.000 0.000 0.254 781 Y C 1.322 177.350 175.900 0.212 0.000 1.171 781 Y CA -0.460 57.755 58.100 0.191 0.000 1.238 781 Y CB 0.207 38.756 38.460 0.149 0.000 1.148 781 Y HN -0.037 nan 8.280 nan 0.000 0.525 782 S N 0.041 115.978 115.700 0.395 0.000 2.681 782 S HA 0.064 4.534 4.470 0.001 0.000 0.270 782 S C 0.504 175.319 174.600 0.358 0.000 1.209 782 S CA -0.559 57.838 58.200 0.329 0.000 0.988 782 S CB 0.827 64.180 63.200 0.254 0.000 1.006 782 S HN 0.264 nan 8.310 nan 0.000 0.558 783 D N -0.010 120.553 120.400 0.272 0.000 2.262 783 D HA 0.253 4.894 4.640 0.001 0.000 0.212 783 D C 0.157 176.583 176.300 0.210 0.000 0.964 783 D CA 0.918 55.060 54.000 0.236 0.000 0.875 783 D CB 0.362 41.279 40.800 0.194 0.000 0.996 783 D HN 0.312 nan 8.370 nan 0.000 0.497 784 I N 1.173 121.822 120.570 0.131 0.000 2.582 784 I HA 0.324 4.494 4.170 0.001 0.000 0.292 784 I C -0.848 175.261 176.117 -0.013 0.000 1.066 784 I CA -0.641 60.677 61.300 0.030 0.000 1.053 784 I CB 2.924 40.884 38.000 -0.066 0.000 1.241 784 I HN -0.333 nan 8.210 nan 0.000 0.421 785 I N 6.625 127.122 120.570 -0.122 0.000 2.436 785 I HA 0.425 4.595 4.170 0.001 0.000 0.289 785 I C -0.796 175.215 176.117 -0.177 0.000 1.010 785 I CA -0.574 60.624 61.300 -0.169 0.000 1.098 785 I CB 1.789 39.580 38.000 -0.349 0.000 1.266 785 I HN 0.259 nan 8.210 nan 0.000 0.434 786 L N 8.015 129.180 121.223 -0.097 0.000 2.305 786 L HA 0.484 4.824 4.340 0.001 0.000 0.284 786 L C -2.329 174.549 176.870 0.013 0.000 1.013 786 L CA -1.895 52.891 54.840 -0.091 0.000 0.819 786 L CB 1.677 43.774 42.059 0.064 0.000 1.227 786 L HN 0.295 nan 8.230 nan 0.000 0.417 787 P HA 0.055 nan 4.420 nan 0.000 0.276 787 P C -0.392 177.058 177.300 0.250 0.000 1.264 787 P CA 0.030 63.185 63.100 0.091 0.000 0.769 787 P CB 1.281 33.003 31.700 0.036 0.000 0.840 788 T N 2.367 117.050 114.554 0.215 0.000 2.943 788 T HA 0.563 4.913 4.350 0.001 0.000 0.284 788 T C -0.045 174.804 174.700 0.248 0.000 1.015 788 T CA -0.453 61.799 62.100 0.252 0.000 1.042 788 T CB 0.617 69.647 68.868 0.269 0.000 1.055 788 T HN 0.399 nan 8.240 nan 0.000 0.500 789 A N 2.680 125.632 122.820 0.220 0.000 2.425 789 A HA 0.514 4.834 4.320 0.001 0.000 0.249 789 A C 1.028 178.685 177.584 0.120 0.000 1.084 789 A CA -0.226 51.909 52.037 0.164 0.000 0.781 789 A CB -0.291 18.808 19.000 0.164 0.000 1.019 789 A HN 0.973 nan 8.150 nan 0.000 0.490 790 T N -0.579 113.935 114.554 -0.067 0.000 2.726 790 T HA 0.104 4.455 4.350 0.001 0.000 0.294 790 T C 0.793 175.469 174.700 -0.039 0.000 1.013 790 T CA -0.127 61.742 62.100 -0.385 0.000 0.996 790 T CB 0.229 68.734 68.868 -0.605 0.000 1.016 790 T HN 0.634 nan 8.240 nan 0.000 0.529 791 W N -0.644 120.632 121.300 -0.039 0.000 2.525 791 W HA 0.059 4.719 4.660 0.001 0.000 0.259 791 W C 1.034 177.721 176.519 0.279 0.000 1.253 791 W CA -0.023 57.346 57.345 0.040 0.000 1.262 791 W CB -1.219 28.144 29.460 -0.162 0.000 1.122 791 W HN 0.666 nan 8.180 nan 0.000 0.607 792 Y N 0.294 120.785 120.300 0.318 0.000 2.493 792 Y HA 0.135 4.686 4.550 0.001 0.000 0.275 792 Y C 0.977 176.956 175.900 0.133 0.000 1.183 792 Y CA -0.411 57.820 58.100 0.218 0.000 1.258 792 Y CB -0.803 37.767 38.460 0.185 0.000 1.108 792 Y HN 0.149 nan 8.280 nan 0.000 0.521 793 E N 0.431 120.794 120.200 0.270 0.000 2.714 793 E HA 0.161 4.511 4.350 0.001 0.000 0.219 793 E C -0.147 176.559 176.600 0.176 0.000 0.979 793 E CA -0.115 56.392 56.400 0.178 0.000 1.092 793 E CB 0.671 30.441 29.700 0.117 0.000 1.049 793 E HN 0.304 nan 8.360 nan 0.000 0.487 794 K N -0.074 120.456 120.400 0.216 0.000 2.556 794 K HA 0.392 4.712 4.320 0.001 0.000 0.274 794 K C -1.593 175.134 176.600 0.212 0.000 0.966 794 K CA -0.957 55.450 56.287 0.200 0.000 0.865 794 K CB 1.668 34.300 32.500 0.220 0.000 1.444 794 K HN -0.294 nan 8.250 nan 0.000 0.433 795 D N 1.060 121.559 120.400 0.165 0.000 2.198 795 D HA 0.424 5.064 4.640 0.001 0.000 0.245 795 D C -0.881 175.502 176.300 0.137 0.000 1.079 795 D CA 0.416 54.528 54.000 0.186 0.000 0.854 795 D CB 1.446 42.267 40.800 0.035 0.000 1.148 795 D HN 0.528 nan 8.370 nan 0.000 0.456 796 D N 0.588 121.140 120.400 0.254 0.000 2.756 796 D HA 0.363 5.004 4.640 0.001 0.000 0.323 796 D C -1.196 175.262 176.300 0.263 0.000 1.333 796 D CA -0.387 53.727 54.000 0.191 0.000 0.818 796 D CB 1.621 42.519 40.800 0.163 0.000 1.363 796 D HN 0.181 nan 8.370 nan 0.000 0.458 797 M N 1.056 120.743 119.600 0.146 0.000 2.644 797 M HA 0.429 4.910 4.480 0.001 0.000 0.304 797 M C -0.689 175.568 176.300 -0.071 0.000 1.215 797 M CA -0.871 54.465 55.300 0.059 0.000 0.871 797 M CB 2.436 35.100 32.600 0.106 0.000 1.740 797 M HN 0.245 nan 8.290 nan 0.000 0.464 798 N N 1.080 119.660 118.700 -0.200 0.000 2.287 798 N HA 0.575 5.316 4.740 0.001 0.000 0.289 798 N C -1.923 173.448 175.510 -0.232 0.000 1.066 798 N CA -0.054 52.842 53.050 -0.256 0.000 0.841 798 N CB 2.396 40.672 38.487 -0.352 0.000 1.599 798 N HN 0.829 nan 8.380 nan 0.000 0.476 799 T N -0.957 113.499 114.554 -0.163 0.000 2.883 799 T HA 0.742 5.093 4.350 0.001 0.000 0.296 799 T C -0.734 173.840 174.700 -0.210 0.000 1.117 799 T CA -0.680 61.342 62.100 -0.130 0.000 1.006 799 T CB 1.701 70.481 68.868 -0.145 0.000 1.191 799 T HN 0.401 nan 8.240 nan 0.000 0.508 800 S N -0.908 114.595 115.700 -0.329 0.000 2.638 800 S HA 0.456 4.926 4.470 0.001 0.000 0.274 800 S C -0.394 173.949 174.600 -0.428 0.000 1.157 800 S CA -0.517 57.462 58.200 -0.368 0.000 0.826 800 S CB 1.540 64.490 63.200 -0.417 0.000 1.139 800 S HN 0.743 nan 8.310 nan 0.000 0.474 801 D N 1.615 121.828 120.400 -0.311 0.000 2.183 801 D HA -0.028 4.613 4.640 0.001 0.000 0.203 801 D C 1.801 177.930 176.300 -0.284 0.000 0.969 801 D CA 1.173 55.012 54.000 -0.269 0.000 0.842 801 D CB -0.036 40.738 40.800 -0.044 0.000 0.957 801 D HN 0.364 nan 8.370 nan 0.000 0.484 802 M N 0.439 119.841 119.600 -0.331 0.000 2.229 802 M HA 0.034 4.515 4.480 0.001 0.000 0.264 802 M C 0.460 176.561 176.300 -0.332 0.000 1.063 802 M CA 1.385 56.471 55.300 -0.358 0.000 1.114 802 M CB -1.238 31.172 32.600 -0.316 0.000 1.387 802 M HN 0.251 nan 8.290 nan 0.000 0.420 803 H N -2.878 115.995 119.070 -0.329 0.000 2.960 803 H HA 0.483 5.039 4.556 0.001 0.000 0.338 803 H C -2.729 172.259 175.328 -0.567 0.000 1.261 803 H CA -1.816 53.948 56.048 -0.472 0.000 1.136 803 H CB 0.050 29.475 29.762 -0.561 0.000 1.875 803 H HN -0.276 nan 8.280 nan 0.000 0.550 804 P HA 0.143 nan 4.420 nan 0.000 0.261 804 P C -0.887 176.194 177.300 -0.365 0.000 1.352 804 P CA 0.022 62.825 63.100 -0.496 0.000 0.891 804 P CB -0.027 31.374 31.700 -0.498 0.000 1.383 805 F N 1.001 121.054 119.950 0.172 0.000 2.375 805 F HA 0.416 4.943 4.527 0.001 0.000 0.333 805 F C 1.009 176.948 175.800 0.232 0.000 1.104 805 F CA -1.425 56.631 58.000 0.093 0.000 1.149 805 F CB 0.804 39.730 39.000 -0.124 0.000 1.190 805 F HN -0.228 nan 8.300 nan 0.000 0.533 806 I N 3.206 123.991 120.570 0.358 0.000 2.436 806 I HA 0.479 4.650 4.170 0.001 0.000 0.289 806 I C -1.069 175.196 176.117 0.248 0.000 1.010 806 I CA -0.300 61.141 61.300 0.235 0.000 1.098 806 I CB 0.981 39.039 38.000 0.096 0.000 1.266 806 I HN 0.902 nan 8.210 nan 0.000 0.434 807 H N 6.410 125.499 119.070 0.032 0.000 2.960 807 H HA 0.771 5.327 4.556 0.001 0.000 0.338 807 H C -3.072 172.221 175.328 -0.058 0.000 1.261 807 H CA -2.061 53.954 56.048 -0.055 0.000 1.136 807 H CB 1.664 31.384 29.762 -0.070 0.000 1.875 807 H HN 0.188 nan 8.280 nan 0.000 0.550 808 P HA 0.331 nan 4.420 nan 0.000 0.290 808 P C -1.317 175.990 177.300 0.010 0.000 1.307 808 P CA -0.845 62.193 63.100 -0.102 0.000 0.948 808 P CB 2.609 34.115 31.700 -0.324 0.000 1.312 809 L N 0.456 121.744 121.223 0.108 0.000 2.325 809 L HA 0.544 4.885 4.340 0.001 0.000 0.279 809 L C 0.585 177.592 176.870 0.228 0.000 1.054 809 L CA 0.398 55.345 54.840 0.179 0.000 0.804 809 L CB 1.249 43.429 42.059 0.202 0.000 1.200 809 L HN 0.380 nan 8.230 nan 0.000 0.436 810 S N 0.605 116.435 115.700 0.217 0.000 2.595 810 S HA 0.799 5.270 4.470 0.001 0.000 0.281 810 S C -0.797 173.917 174.600 0.191 0.000 1.117 810 S CA -0.737 57.582 58.200 0.197 0.000 0.873 810 S CB 1.929 65.199 63.200 0.117 0.000 1.108 810 S HN 0.654 nan 8.310 nan 0.000 0.477 811 A N 1.043 123.959 122.820 0.160 0.000 2.343 811 A HA 0.645 4.965 4.320 0.001 0.000 0.305 811 A C 1.077 178.717 177.584 0.092 0.000 1.308 811 A CA -0.173 51.948 52.037 0.140 0.000 0.949 811 A CB -0.288 18.784 19.000 0.119 0.000 1.148 811 A HN 1.001 nan 8.150 nan 0.000 0.545 812 A N 2.825 125.697 122.820 0.087 0.000 1.968 812 A HA 0.348 4.669 4.320 0.001 0.000 0.217 812 A C 1.023 178.625 177.584 0.031 0.000 1.169 812 A CA 1.760 53.811 52.037 0.024 0.000 0.638 812 A CB -0.458 18.531 19.000 -0.018 0.000 0.812 812 A HN 1.786 nan 8.150 nan 0.000 0.446 813 V N -3.959 115.993 119.914 0.063 0.000 3.147 813 V HA 0.501 4.621 4.120 0.001 0.000 0.306 813 V C -1.608 174.522 176.094 0.059 0.000 1.209 813 V CA -1.490 60.840 62.300 0.049 0.000 1.023 813 V CB 1.378 33.236 31.823 0.058 0.000 1.059 813 V HN 0.076 nan 8.190 nan 0.000 0.435 814 D N 1.811 122.234 120.400 0.038 0.000 2.368 814 D HA 0.357 4.998 4.640 0.001 0.000 0.240 814 D C -2.499 173.829 176.300 0.046 0.000 1.169 814 D CA -0.901 53.125 54.000 0.042 0.000 0.906 814 D CB 0.646 41.460 40.800 0.025 0.000 1.187 814 D HN 0.512 nan 8.370 nan 0.000 0.435 815 P HA 0.064 nan 4.420 nan 0.000 0.262 815 P C -0.826 176.508 177.300 0.056 0.000 1.182 815 P CA 0.208 63.355 63.100 0.079 0.000 0.761 815 P CB 0.419 32.180 31.700 0.103 0.000 0.795 816 A N 4.333 127.185 122.820 0.055 0.000 2.386 816 A HA 0.330 4.651 4.320 0.001 0.000 0.248 816 A C 0.478 178.137 177.584 0.125 0.000 1.082 816 A CA -0.309 51.700 52.037 -0.047 0.000 0.789 816 A CB -0.415 18.543 19.000 -0.070 0.000 1.025 816 A HN 0.610 nan 8.150 nan 0.000 0.490 817 W N -0.607 120.718 121.300 0.042 0.000 2.047 817 W HA -0.272 4.389 4.660 0.001 0.000 0.283 817 W C 1.026 177.609 176.519 0.106 0.000 1.201 817 W CA 1.648 59.009 57.345 0.027 0.000 1.140 817 W CB -1.291 28.070 29.460 -0.164 0.000 0.885 817 W HN 0.867 nan 8.180 nan 0.000 0.538 818 E N 1.253 121.695 120.200 0.404 0.000 2.499 818 E HA 0.426 4.776 4.350 0.001 0.000 0.199 818 E C 0.521 177.431 176.600 0.517 0.000 1.016 818 E CA 0.141 56.809 56.400 0.448 0.000 0.933 818 E CB 0.220 30.215 29.700 0.491 0.000 1.050 818 E HN 0.298 nan 8.360 nan 0.000 0.462 819 A N 1.702 124.740 122.820 0.363 0.000 2.445 819 A HA 0.213 4.534 4.320 0.001 0.000 0.242 819 A C 0.120 177.866 177.584 0.271 0.000 1.075 819 A CA 0.367 52.613 52.037 0.348 0.000 0.777 819 A CB 0.414 19.558 19.000 0.240 0.000 1.013 819 A HN 0.039 nan 8.150 nan 0.000 0.493 820 K N 0.499 121.033 120.400 0.224 0.000 2.482 820 K HA 0.488 4.809 4.320 0.001 0.000 0.257 820 K C -0.229 176.422 176.600 0.085 0.000 0.969 820 K CA -0.552 55.752 56.287 0.027 0.000 0.842 820 K CB 2.070 34.385 32.500 -0.310 0.000 1.359 820 K HN 0.846 nan 8.250 nan 0.000 0.441 821 S N 0.037 115.792 115.700 0.092 0.000 2.593 821 S HA 0.049 4.519 4.470 0.001 0.000 0.269 821 S C 0.507 175.209 174.600 0.170 0.000 1.334 821 S CA -0.311 57.995 58.200 0.177 0.000 1.015 821 S CB 0.651 63.982 63.200 0.218 0.000 0.912 821 S HN 0.529 nan 8.310 nan 0.000 0.541 822 D N 0.675 121.232 120.400 0.262 0.000 2.149 822 D HA -0.139 4.501 4.640 0.001 0.000 0.198 822 D C 1.481 177.945 176.300 0.273 0.000 0.990 822 D CA 1.187 55.341 54.000 0.257 0.000 0.839 822 D CB -0.239 40.822 40.800 0.436 0.000 0.948 822 D HN 0.820 nan 8.370 nan 0.000 0.460 823 W N 1.948 123.355 121.300 0.179 0.000 2.355 823 W HA -0.170 4.491 4.660 0.001 0.000 0.309 823 W C 1.694 178.285 176.519 0.121 0.000 1.206 823 W CA 0.948 58.411 57.345 0.196 0.000 1.284 823 W CB 0.126 29.680 29.460 0.158 0.000 1.145 823 W HN -0.092 nan 8.180 nan 0.000 0.502 824 E N 0.666 120.916 120.200 0.084 0.000 2.106 824 E HA -0.179 4.172 4.350 0.001 0.000 0.192 824 E C 2.135 178.547 176.600 -0.313 0.000 0.984 824 E CA 1.407 57.739 56.400 -0.114 0.000 0.806 824 E CB -0.633 29.038 29.700 -0.050 0.000 0.750 824 E HN 0.460 nan 8.360 nan 0.000 0.458 825 I N 0.040 120.414 120.570 -0.327 0.000 2.142 825 I HA -0.293 3.877 4.170 0.001 0.000 0.240 825 I C 2.176 177.934 176.117 -0.598 0.000 1.078 825 I CA 1.245 62.251 61.300 -0.491 0.000 1.343 825 I CB -0.345 37.393 38.000 -0.437 0.000 1.046 825 I HN 0.060 nan 8.210 nan 0.000 0.405 826 Y N 0.786 120.783 120.300 -0.505 0.000 2.373 826 Y HA -0.177 4.374 4.550 0.001 0.000 0.293 826 Y C 2.526 177.819 175.900 -1.012 0.000 1.129 826 Y CA 1.184 58.835 58.100 -0.748 0.000 1.226 826 Y CB -0.385 37.691 38.460 -0.641 0.000 1.000 826 Y HN 0.090 nan 8.280 nan 0.000 0.549 827 K N 0.184 120.103 120.400 -0.802 0.000 2.097 827 K HA -0.135 4.186 4.320 0.001 0.000 0.205 827 K C 2.195 178.505 176.600 -0.483 0.000 1.050 827 K CA 1.091 56.846 56.287 -0.888 0.000 0.938 827 K CB -0.179 31.988 32.500 -0.556 0.000 0.718 827 K HN 0.241 nan 8.250 nan 0.000 0.442 828 A N 1.003 123.571 122.820 -0.421 0.000 1.968 828 A HA -0.032 4.288 4.320 0.001 0.000 0.217 828 A C 1.991 179.386 177.584 -0.316 0.000 1.169 828 A CA 0.893 52.737 52.037 -0.321 0.000 0.638 828 A CB -0.341 18.458 19.000 -0.334 0.000 0.812 828 A HN 0.298 nan 8.150 nan 0.000 0.446 829 I N -0.332 119.976 120.570 -0.436 0.000 2.202 829 I HA -0.232 3.938 4.170 0.001 0.000 0.242 829 I C 2.983 178.856 176.117 -0.407 0.000 1.091 829 I CA 0.946 61.987 61.300 -0.432 0.000 1.368 829 I CB -0.336 37.276 38.000 -0.646 0.000 1.058 829 I HN 0.348 nan 8.210 nan 0.000 0.410 830 A N 0.766 123.232 122.820 -0.591 0.000 1.908 830 A HA -0.289 4.031 4.320 0.001 0.000 0.218 830 A C 2.368 179.976 177.584 0.040 0.000 1.181 830 A CA 2.067 53.942 52.037 -0.269 0.000 0.627 830 A CB -0.567 18.128 19.000 -0.508 0.000 0.818 830 A HN 0.338 nan 8.150 nan 0.000 0.445 831 K N -0.589 119.777 120.400 -0.057 0.000 2.026 831 K HA -0.218 4.102 4.320 0.001 0.000 0.208 831 K C 2.182 178.706 176.600 -0.127 0.000 1.048 831 K CA 1.868 58.011 56.287 -0.239 0.000 0.929 831 K CB -0.132 32.033 32.500 -0.559 0.000 0.713 831 K HN 0.257 nan 8.250 nan 0.000 0.439 832 K N 0.422 120.769 120.400 -0.089 0.000 2.057 832 K HA -0.142 4.178 4.320 0.001 0.000 0.207 832 K C 1.811 178.442 176.600 0.052 0.000 1.049 832 K CA 1.400 57.668 56.287 -0.032 0.000 0.931 832 K CB -0.585 31.897 32.500 -0.031 0.000 0.714 832 K HN 0.198 nan 8.250 nan 0.000 0.440 833 F N 0.825 120.765 119.950 -0.015 0.000 2.126 833 F HA -0.220 4.308 4.527 0.001 0.000 0.299 833 F C 1.850 177.699 175.800 0.081 0.000 1.096 833 F CA 1.919 59.963 58.000 0.074 0.000 1.255 833 F CB -0.409 38.714 39.000 0.205 0.000 0.997 833 F HN -0.007 nan 8.300 nan 0.000 0.479 834 S N -0.396 115.458 115.700 0.258 0.000 2.442 834 S HA -0.218 4.252 4.470 0.001 0.000 0.236 834 S C 1.895 176.501 174.600 0.011 0.000 1.007 834 S CA 1.311 59.606 58.200 0.158 0.000 0.965 834 S CB -0.424 62.893 63.200 0.195 0.000 0.773 834 S HN 0.663 nan 8.310 nan 0.000 0.504 835 E N 0.796 120.980 120.200 -0.026 0.000 2.075 835 E HA -0.025 4.325 4.350 0.001 0.000 0.190 835 E C 1.825 178.395 176.600 -0.049 0.000 0.969 835 E CA 0.599 56.978 56.400 -0.036 0.000 0.815 835 E CB 0.021 29.699 29.700 -0.038 0.000 0.776 835 E HN 0.263 nan 8.360 nan 0.000 0.457 836 V N 2.027 121.895 119.914 -0.077 0.000 2.490 836 V HA -0.269 3.852 4.120 0.001 0.000 0.250 836 V C 2.769 178.803 176.094 -0.100 0.000 1.061 836 V CA 1.653 63.910 62.300 -0.071 0.000 1.064 836 V CB -0.737 31.039 31.823 -0.078 0.000 0.670 836 V HN 0.686 nan 8.190 nan 0.000 0.461 837 C N -0.998 118.135 119.300 -0.277 0.000 2.456 837 C HA 0.135 4.595 4.460 0.001 0.000 0.279 837 C C 1.326 176.283 174.990 -0.054 0.000 1.427 837 C CA -0.837 58.016 59.018 -0.275 0.000 1.778 837 C CB -1.524 25.868 27.740 -0.581 0.000 1.842 837 C HN 0.218 nan 8.230 nan 0.000 0.531 838 V N 2.889 122.780 119.914 -0.039 0.000 2.584 838 V HA 0.409 4.529 4.120 0.001 0.000 0.303 838 V C 1.640 177.696 176.094 -0.064 0.000 1.035 838 V CA 2.133 64.417 62.300 -0.026 0.000 1.172 838 V CB -0.389 31.422 31.823 -0.021 0.000 0.896 838 V HN 1.037 nan 8.190 nan 0.000 0.486 839 G N 3.420 112.159 108.800 -0.103 0.000 2.195 839 G HA2 -0.233 3.727 3.960 0.001 0.000 0.246 839 G HA3 -0.233 3.727 3.960 0.001 0.000 0.246 839 G C 0.607 175.290 174.900 -0.361 0.000 0.984 839 G CA 0.387 45.354 45.100 -0.222 0.000 0.633 839 G HN 0.769 nan 8.290 nan 0.000 0.525 840 H N -0.901 118.132 119.070 -0.062 0.000 2.657 840 H HA 0.431 4.988 4.556 0.001 0.000 0.262 840 H C 0.805 176.070 175.328 -0.105 0.000 0.965 840 H CA 0.817 56.818 56.048 -0.077 0.000 1.184 840 H CB 0.814 30.521 29.762 -0.091 0.000 1.443 840 H HN 0.325 nan 8.280 nan 0.000 0.462 841 L N 0.289 121.510 121.223 -0.003 0.000 2.436 841 L HA 0.550 4.890 4.340 0.001 0.000 0.268 841 L C 0.391 177.296 176.870 0.058 0.000 0.974 841 L CA -0.582 54.225 54.840 -0.055 0.000 0.826 841 L CB 2.821 44.689 42.059 -0.318 0.000 1.291 841 L HN 0.182 nan 8.230 nan 0.000 0.406 842 G N 1.373 110.245 108.800 0.119 0.000 3.392 842 G HA2 0.353 4.313 3.960 0.001 0.000 0.185 842 G HA3 0.353 4.313 3.960 0.001 0.000 0.185 842 G C -0.789 174.219 174.900 0.182 0.000 1.206 842 G CA -0.512 44.664 45.100 0.127 0.000 0.776 842 G HN 0.400 nan 8.290 nan 0.000 0.697 843 K N 2.214 122.677 120.400 0.105 0.000 2.220 843 K HA 0.269 4.590 4.320 0.001 0.000 0.283 843 K C -0.572 176.082 176.600 0.089 0.000 1.098 843 K CA 0.061 56.395 56.287 0.079 0.000 0.928 843 K CB 0.743 33.268 32.500 0.042 0.000 1.214 843 K HN 0.271 nan 8.250 nan 0.000 0.442 844 E N 1.283 121.565 120.200 0.137 0.000 2.250 844 E HA 0.276 4.627 4.350 0.001 0.000 0.265 844 E C -0.252 176.390 176.600 0.071 0.000 1.033 844 E CA -0.505 55.977 56.400 0.136 0.000 0.888 844 E CB 1.601 31.470 29.700 0.282 0.000 1.151 844 E HN 0.224 nan 8.360 nan 0.000 0.412 845 T N 1.325 115.912 114.554 0.056 0.000 2.786 845 T HA 0.275 4.625 4.350 0.001 0.000 0.283 845 T C -0.898 173.822 174.700 0.034 0.000 0.992 845 T CA -0.663 61.452 62.100 0.026 0.000 0.954 845 T CB 1.095 69.968 68.868 0.008 0.000 0.934 845 T HN 0.204 nan 8.240 nan 0.000 0.440 846 D N 2.514 122.929 120.400 0.025 0.000 2.362 846 D HA 0.392 5.032 4.640 0.001 0.000 0.247 846 D C -0.654 175.652 176.300 0.011 0.000 1.050 846 D CA -0.797 53.219 54.000 0.028 0.000 0.839 846 D CB 0.983 41.803 40.800 0.033 0.000 1.283 846 D HN 0.209 nan 8.370 nan 0.000 0.477 847 I N 3.882 124.459 120.570 0.012 0.000 2.312 847 I HA 0.253 4.423 4.170 0.001 0.000 0.290 847 I C -0.210 175.908 176.117 0.001 0.000 1.008 847 I CA -0.703 60.600 61.300 0.006 0.000 1.226 847 I CB 1.005 39.011 38.000 0.009 0.000 1.371 847 I HN 0.130 nan 8.210 nan 0.000 0.468 848 V N 5.644 125.558 119.914 0.000 0.000 2.495 848 V HA 0.422 4.543 4.120 0.001 0.000 0.298 848 V C 0.491 176.597 176.094 0.020 0.000 1.031 848 V CA -0.707 61.595 62.300 0.003 0.000 0.871 848 V CB 2.017 33.833 31.823 -0.012 0.000 0.988 848 V HN 0.848 nan 8.190 nan 0.000 0.432 849 T N 2.889 117.465 114.554 0.036 0.000 2.909 849 T HA 0.740 5.091 4.350 0.001 0.000 0.289 849 T C -0.782 173.977 174.700 0.099 0.000 1.005 849 T CA -0.565 61.582 62.100 0.078 0.000 1.084 849 T CB 1.573 70.509 68.868 0.113 0.000 0.975 849 T HN 0.484 nan 8.240 nan 0.000 0.509 850 L N 4.099 125.409 121.223 0.146 0.000 2.482 850 L HA 0.530 4.870 4.340 0.001 0.000 0.269 850 L C -2.658 174.363 176.870 0.252 0.000 0.967 850 L CA -2.044 52.896 54.840 0.166 0.000 0.851 850 L CB 2.042 44.168 42.059 0.112 0.000 1.242 850 L HN 0.490 nan 8.230 nan 0.000 0.404 851 P HA 0.076 nan 4.420 nan 0.000 0.270 851 P C -0.056 177.431 177.300 0.312 0.000 1.227 851 P CA -0.033 63.206 63.100 0.232 0.000 0.788 851 P CB 0.777 32.582 31.700 0.175 0.000 0.926 852 I N 1.565 122.281 120.570 0.244 0.000 2.587 852 I HA -0.033 4.138 4.170 0.001 0.000 0.284 852 I C 1.280 177.528 176.117 0.218 0.000 1.134 852 I CA 0.391 61.820 61.300 0.215 0.000 1.410 852 I CB -0.186 37.887 38.000 0.122 0.000 1.392 852 I HN 0.148 nan 8.210 nan 0.000 0.545 853 Q N 5.184 125.084 119.800 0.165 0.000 2.261 853 Q HA 0.199 4.539 4.340 0.001 0.000 0.252 853 Q C -0.316 175.694 176.000 0.016 0.000 0.915 853 Q CA -0.618 55.239 55.803 0.091 0.000 0.915 853 Q CB 1.455 30.198 28.738 0.008 0.000 1.204 853 Q HN 0.477 nan 8.270 nan 0.000 0.421 854 H N 2.589 121.596 119.070 -0.105 0.000 2.771 854 H HA -0.028 4.529 4.556 0.001 0.000 0.364 854 H C -0.206 175.013 175.328 -0.182 0.000 1.133 854 H CA 0.814 56.752 56.048 -0.185 0.000 1.423 854 H CB 0.548 30.068 29.762 -0.404 0.000 1.425 854 H HN 0.590 nan 8.280 nan 0.000 0.606 855 D N 0.899 120.897 120.400 -0.669 0.000 2.981 855 D HA -0.190 4.450 4.640 0.001 0.000 0.223 855 D C -0.781 175.445 176.300 -0.125 0.000 1.151 855 D CA 1.301 55.067 54.000 -0.389 0.000 0.827 855 D CB -1.619 38.907 40.800 -0.457 0.000 1.101 855 D HN 0.568 nan 8.370 nan 0.000 0.426 856 S N -2.429 113.096 115.700 -0.293 0.000 2.595 856 S HA 0.779 5.250 4.470 0.001 0.000 0.281 856 S C 1.202 175.022 174.600 -1.299 0.000 1.117 856 S CA -0.148 57.658 58.200 -0.657 0.000 0.873 856 S CB 2.417 65.383 63.200 -0.390 0.000 1.108 856 S HN 0.086 nan 8.310 nan 0.000 0.477 857 A N 1.633 123.350 122.820 -1.838 0.000 1.978 857 A HA 0.150 4.470 4.320 0.001 0.000 0.220 857 A C 2.236 179.281 177.584 -0.899 0.000 1.170 857 A CA 1.972 52.908 52.037 -1.836 0.000 0.636 857 A CB -1.532 16.871 19.000 -0.995 0.000 0.810 857 A HN 1.602 nan 8.150 nan 0.000 0.448 858 A N 0.759 123.254 122.820 -0.542 0.000 2.125 858 A HA -0.125 4.196 4.320 0.001 0.000 0.219 858 A C 1.806 179.233 177.584 -0.263 0.000 1.156 858 A CA 1.398 53.273 52.037 -0.271 0.000 0.671 858 A CB -0.672 18.311 19.000 -0.028 0.000 0.794 858 A HN 0.833 nan 8.150 nan 0.000 0.459 859 E N 0.208 120.209 120.200 -0.332 0.000 2.331 859 E HA -0.136 4.215 4.350 0.001 0.000 0.199 859 E C 0.310 176.666 176.600 -0.407 0.000 1.008 859 E CA 0.634 56.893 56.400 -0.235 0.000 0.843 859 E CB -0.477 29.144 29.700 -0.131 0.000 0.761 859 E HN 0.605 nan 8.360 nan 0.000 0.507 860 L N 1.315 122.158 121.223 -0.633 0.000 2.719 860 L HA 0.338 4.679 4.340 0.001 0.000 0.236 860 L C 1.111 177.764 176.870 -0.361 0.000 1.285 860 L CA -0.373 53.702 54.840 -1.275 0.000 1.222 860 L CB 0.423 41.577 42.059 -1.508 0.000 1.493 860 L HN 0.150 nan 8.230 nan 0.000 0.415 861 A N 1.372 124.200 122.820 0.014 0.000 1.843 861 A HA 0.064 4.385 4.320 0.001 0.000 0.213 861 A C 0.998 178.862 177.584 0.468 0.000 1.239 861 A CA 0.709 52.889 52.037 0.238 0.000 0.606 861 A CB 0.122 19.232 19.000 0.183 0.000 0.903 861 A HN 0.559 nan 8.150 nan 0.000 0.455 862 Q N 0.038 120.179 119.800 0.568 0.000 2.456 862 Q HA 0.238 4.579 4.340 0.001 0.000 0.252 862 Q C -2.103 174.139 176.000 0.403 0.000 1.042 862 Q CA -2.040 54.026 55.803 0.437 0.000 0.766 862 Q CB 1.978 30.929 28.738 0.355 0.000 1.196 862 Q HN 0.425 nan 8.270 nan 0.000 0.504 863 P HA -0.164 nan 4.420 nan 0.000 0.215 863 P C 0.887 178.014 177.300 -0.288 0.000 1.157 863 P CA 1.262 63.889 63.100 -0.788 0.000 0.863 863 P CB 0.505 31.556 31.700 -1.081 0.000 0.787 864 L N -1.436 119.703 121.223 -0.140 0.000 2.470 864 L HA 0.204 4.545 4.340 0.001 0.000 0.219 864 L C 1.254 178.093 176.870 -0.052 0.000 1.071 864 L CA 0.416 55.209 54.840 -0.079 0.000 0.850 864 L CB -0.282 41.732 42.059 -0.075 0.000 1.040 864 L HN 0.168 nan 8.230 nan 0.000 0.475 865 D N -1.706 118.677 120.400 -0.029 0.000 2.970 865 D HA 0.197 4.838 4.640 0.001 0.000 0.344 865 D C -0.984 175.336 176.300 0.033 0.000 1.365 865 D CA -0.375 53.601 54.000 -0.039 0.000 0.910 865 D CB 2.288 43.083 40.800 -0.008 0.000 1.445 865 D HN -0.295 nan 8.370 nan 0.000 0.532 866 V N 0.179 120.141 119.914 0.079 0.000 2.370 866 V HA 0.449 4.569 4.120 0.001 0.000 0.283 866 V C -0.139 176.033 176.094 0.130 0.000 1.023 866 V CA -0.536 61.878 62.300 0.190 0.000 0.857 866 V CB 1.105 33.126 31.823 0.331 0.000 0.985 866 V HN 0.357 nan 8.190 nan 0.000 0.443 867 K N 2.901 123.374 120.400 0.121 0.000 2.345 867 K HA 0.449 4.770 4.320 0.001 0.000 0.255 867 K C -1.224 175.395 176.600 0.031 0.000 0.934 867 K CA -0.782 55.545 56.287 0.067 0.000 0.801 867 K CB 2.319 34.868 32.500 0.081 0.000 1.137 867 K HN 0.582 nan 8.250 nan 0.000 0.424 868 D N 3.869 124.242 120.400 -0.044 0.000 2.427 868 D HA 0.055 4.695 4.640 0.001 0.000 0.226 868 D C 1.025 177.230 176.300 -0.158 0.000 1.076 868 D CA -0.713 53.184 54.000 -0.172 0.000 0.849 868 D CB 0.563 41.210 40.800 -0.255 0.000 1.052 868 D HN 0.652 nan 8.370 nan 0.000 0.515 869 W N 4.245 125.507 121.300 -0.063 0.000 2.350 869 W HA -0.136 4.525 4.660 0.001 0.000 0.289 869 W C 1.100 177.594 176.519 -0.041 0.000 1.215 869 W CA 0.347 57.667 57.345 -0.040 0.000 1.236 869 W CB -0.495 28.947 29.460 -0.029 0.000 1.130 869 W HN 0.368 nan 8.180 nan 0.000 0.541 870 K N 1.354 121.166 120.400 -0.979 0.000 2.365 870 K HA -0.101 4.219 4.320 0.001 0.000 0.199 870 K C 1.568 177.956 176.600 -0.353 0.000 1.045 870 K CA 1.018 56.806 56.287 -0.832 0.000 0.962 870 K CB -0.096 31.685 32.500 -1.198 0.000 0.759 870 K HN 0.019 nan 8.250 nan 0.000 0.469 871 K N -0.718 119.514 120.400 -0.279 0.000 2.437 871 K HA 0.117 4.437 4.320 0.001 0.000 0.205 871 K C 0.438 176.988 176.600 -0.083 0.000 1.026 871 K CA 0.414 56.601 56.287 -0.167 0.000 1.153 871 K CB 0.869 33.266 32.500 -0.171 0.000 0.863 871 K HN 0.328 nan 8.250 nan 0.000 0.502 872 G N 2.036 110.814 108.800 -0.037 0.000 2.166 872 G HA2 -0.329 3.632 3.960 0.001 0.000 0.260 872 G HA3 -0.329 3.632 3.960 0.001 0.000 0.260 872 G C 0.433 175.345 174.900 0.020 0.000 0.986 872 G CA 0.661 45.771 45.100 0.018 0.000 0.683 872 G HN 0.545 nan 8.290 nan 0.000 0.527 873 E N -0.726 119.477 120.200 0.006 0.000 2.511 873 E HA 0.305 4.656 4.350 0.001 0.000 0.196 873 E C 1.254 177.882 176.600 0.047 0.000 1.066 873 E CA 0.611 57.019 56.400 0.012 0.000 0.871 873 E CB -0.119 29.575 29.700 -0.010 0.000 0.863 873 E HN 1.180 nan 8.360 nan 0.000 0.520 874 C N -1.756 117.593 119.300 0.082 0.000 3.037 874 C HA 0.310 4.771 4.460 0.001 0.000 0.335 874 C C -1.422 173.649 174.990 0.135 0.000 1.333 874 C CA -1.474 57.603 59.018 0.098 0.000 1.211 874 C CB 1.039 28.843 27.740 0.108 0.000 1.377 874 C HN 0.030 nan 8.230 nan 0.000 0.451 875 D N 0.515 120.973 120.400 0.097 0.000 2.302 875 D HA 0.360 5.000 4.640 0.001 0.000 0.248 875 D C -0.222 176.106 176.300 0.045 0.000 1.094 875 D CA -0.234 53.809 54.000 0.072 0.000 0.897 875 D CB 1.265 42.081 40.800 0.026 0.000 1.200 875 D HN 0.816 nan 8.370 nan 0.000 0.429 876 L N 4.777 125.967 121.223 -0.056 0.000 2.485 876 L HA 0.225 4.566 4.340 0.001 0.000 0.279 876 L C -0.600 176.124 176.870 -0.245 0.000 1.124 876 L CA -0.029 54.601 54.840 -0.351 0.000 0.888 876 L CB -0.276 41.296 42.059 -0.811 0.000 1.217 876 L HN 0.338 nan 8.230 nan 0.000 0.464 877 I N 7.277 127.749 120.570 -0.162 0.000 2.390 877 I HA 0.328 4.498 4.170 0.001 0.000 0.283 877 I C -2.167 173.871 176.117 -0.132 0.000 1.016 877 I CA -2.219 59.014 61.300 -0.111 0.000 1.151 877 I CB 1.313 39.286 38.000 -0.045 0.000 1.293 877 I HN 0.424 nan 8.210 nan 0.000 0.458 878 P HA 0.053 nan 4.420 nan 0.000 0.263 878 P C 0.939 178.098 177.300 -0.235 0.000 1.195 878 P CA 0.777 63.784 63.100 -0.155 0.000 0.762 878 P CB 0.598 32.242 31.700 -0.093 0.000 0.799 879 G N 2.558 111.089 108.800 -0.448 0.000 2.175 879 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 879 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 879 G C 0.786 175.500 174.900 -0.310 0.000 0.982 879 G CA 0.644 45.262 45.100 -0.804 0.000 0.641 879 G HN 0.594 nan 8.290 nan 0.000 0.527 880 K N -1.246 119.070 120.400 -0.140 0.000 2.735 880 K HA 0.175 4.495 4.320 0.001 0.000 0.197 880 K C 2.039 178.688 176.600 0.081 0.000 1.468 880 K CA 1.102 57.384 56.287 -0.008 0.000 1.109 880 K CB 0.160 32.667 32.500 0.012 0.000 1.732 880 K HN 0.400 nan 8.250 nan 0.000 0.541 881 T N -1.312 113.278 114.554 0.061 0.000 3.084 881 T HA 0.612 4.962 4.350 0.001 0.000 0.270 881 T C -0.045 174.736 174.700 0.134 0.000 1.008 881 T CA -0.098 62.084 62.100 0.136 0.000 0.900 881 T CB 1.034 69.989 68.868 0.146 0.000 1.084 881 T HN 0.202 nan 8.240 nan 0.000 0.538 882 A N 1.758 124.595 122.820 0.029 0.000 2.601 882 A HA 0.800 5.121 4.320 0.001 0.000 0.291 882 A C -3.157 174.414 177.584 -0.022 0.000 1.075 882 A CA -1.724 50.321 52.037 0.014 0.000 0.671 882 A CB 0.821 19.715 19.000 -0.177 0.000 1.277 882 A HN 0.065 nan 8.150 nan 0.000 0.417 883 P HA 0.126 nan 4.420 nan 0.000 0.270 883 P C -0.665 176.626 177.300 -0.015 0.000 1.223 883 P CA 0.235 63.364 63.100 0.049 0.000 0.785 883 P CB 0.198 31.999 31.700 0.169 0.000 0.923 884 H N 0.876 119.972 119.070 0.044 0.000 2.771 884 H HA 0.229 4.786 4.556 0.001 0.000 0.364 884 H C 0.260 175.593 175.328 0.008 0.000 1.133 884 H CA 0.491 56.545 56.048 0.010 0.000 1.423 884 H CB 0.453 30.216 29.762 0.000 0.000 1.425 884 H HN 0.320 nan 8.280 nan 0.000 0.606 885 I N 4.249 124.887 120.570 0.114 0.000 2.420 885 I HA 0.103 4.274 4.170 0.001 0.000 0.282 885 I C -0.265 175.876 176.117 0.040 0.000 1.019 885 I CA -0.400 60.931 61.300 0.050 0.000 1.130 885 I CB 0.783 38.785 38.000 0.004 0.000 1.262 885 I HN 0.216 nan 8.210 nan 0.000 0.454 886 M N 5.741 125.357 119.600 0.028 0.000 2.598 886 M HA 0.548 5.029 4.480 0.001 0.000 0.317 886 M C -0.406 175.892 176.300 -0.003 0.000 1.201 886 M CA -1.053 54.249 55.300 0.003 0.000 0.971 886 M CB 1.971 34.561 32.600 -0.017 0.000 1.657 886 M HN 0.080 nan 8.290 nan 0.000 0.470 887 V N 2.370 122.279 119.914 -0.009 0.000 2.384 887 V HA 0.537 4.658 4.120 0.001 0.000 0.287 887 V C -0.334 175.751 176.094 -0.016 0.000 1.020 887 V CA -0.728 61.567 62.300 -0.009 0.000 0.850 887 V CB 1.762 33.580 31.823 -0.007 0.000 0.987 887 V HN 0.645 nan 8.190 nan 0.000 0.436 888 V N 4.355 124.259 119.914 -0.017 0.000 2.487 888 V HA 0.464 4.584 4.120 0.001 0.000 0.298 888 V C -0.241 175.837 176.094 -0.027 0.000 1.028 888 V CA -0.761 61.524 62.300 -0.026 0.000 0.860 888 V CB 1.959 33.758 31.823 -0.038 0.000 0.991 888 V HN 0.790 nan 8.190 nan 0.000 0.427 889 E N 4.651 124.835 120.200 -0.027 0.000 2.194 889 E HA 0.444 4.795 4.350 0.001 0.000 0.284 889 E C -0.403 176.152 176.600 -0.075 0.000 1.035 889 E CA -0.301 56.081 56.400 -0.030 0.000 0.836 889 E CB 1.428 31.122 29.700 -0.010 0.000 1.070 889 E HN 0.494 nan 8.360 nan 0.000 0.401 890 R N 1.835 122.259 120.500 -0.126 0.000 2.494 890 R HA 0.254 4.595 4.340 0.001 0.000 0.305 890 R C -0.493 175.646 176.300 -0.268 0.000 0.959 890 R CA -0.705 55.213 56.100 -0.303 0.000 0.864 890 R CB 1.356 31.304 30.300 -0.585 0.000 1.159 890 R HN 0.244 nan 8.270 nan 0.000 0.446 891 D N 2.893 123.140 120.400 -0.255 0.000 2.540 891 D HA 0.086 4.727 4.640 0.001 0.000 0.251 891 D C 0.410 176.654 176.300 -0.094 0.000 1.159 891 D CA -0.415 53.516 54.000 -0.116 0.000 0.974 891 D CB 0.180 40.927 40.800 -0.089 0.000 0.996 891 D HN 0.487 nan 8.370 nan 0.000 0.512 892 Y N 1.412 121.750 120.300 0.062 0.000 2.102 892 Y HA -0.179 4.371 4.550 0.001 0.000 0.280 892 Y C -0.560 175.433 175.900 0.154 0.000 1.178 892 Y CA 1.539 59.735 58.100 0.160 0.000 1.146 892 Y CB -1.170 37.404 38.460 0.190 0.000 0.968 892 Y HN 0.411 nan 8.280 nan 0.000 0.504 893 P HA -0.108 nan 4.420 nan 0.000 0.225 893 P C 0.716 178.082 177.300 0.110 0.000 1.148 893 P CA 1.831 65.012 63.100 0.134 0.000 0.779 893 P CB 0.003 31.752 31.700 0.081 0.000 0.780 894 A N -1.663 121.192 122.820 0.059 0.000 2.307 894 A HA 0.072 4.393 4.320 0.001 0.000 0.218 894 A C 1.837 179.387 177.584 -0.057 0.000 1.228 894 A CA 0.608 52.635 52.037 -0.017 0.000 0.857 894 A CB -1.245 17.691 19.000 -0.107 0.000 0.897 894 A HN 0.061 nan 8.150 nan 0.000 0.495 895 T N -0.802 113.781 114.554 0.047 0.000 2.653 895 T HA -0.277 4.073 4.350 0.001 0.000 0.268 895 T C 1.720 176.453 174.700 0.054 0.000 1.035 895 T CA 2.218 64.337 62.100 0.032 0.000 1.154 895 T CB -0.473 68.513 68.868 0.196 0.000 0.862 895 T HN 0.671 nan 8.240 nan 0.000 0.441 896 Y N 2.023 122.333 120.300 0.017 0.000 2.145 896 Y HA -0.130 4.420 4.550 0.001 0.000 0.286 896 Y C 2.455 178.369 175.900 0.024 0.000 1.145 896 Y CA 1.375 59.473 58.100 -0.004 0.000 1.148 896 Y CB -0.200 38.249 38.460 -0.018 0.000 0.981 896 Y HN 0.075 nan 8.280 nan 0.000 0.507 897 E N 0.397 120.578 120.200 -0.032 0.000 2.153 897 E HA -0.175 4.176 4.350 0.001 0.000 0.194 897 E C 2.239 178.723 176.600 -0.195 0.000 0.988 897 E CA 1.190 57.524 56.400 -0.110 0.000 0.811 897 E CB -0.225 29.474 29.700 -0.002 0.000 0.746 897 E HN 0.588 nan 8.360 nan 0.000 0.466 898 R N -0.582 119.683 120.500 -0.392 0.000 2.093 898 R HA -0.009 4.332 4.340 0.001 0.000 0.224 898 R C 2.288 178.423 176.300 -0.274 0.000 1.101 898 R CA 0.638 56.259 56.100 -0.798 0.000 0.979 898 R CB -0.365 29.082 30.300 -1.421 0.000 0.877 898 R HN 0.129 nan 8.270 nan 0.000 0.441 899 F N 2.036 121.800 119.950 -0.309 0.000 2.134 899 F HA -0.178 4.350 4.527 0.001 0.000 0.299 899 F C 1.989 177.721 175.800 -0.114 0.000 1.097 899 F CA 1.712 59.594 58.000 -0.197 0.000 1.264 899 F CB -0.042 38.807 39.000 -0.252 0.000 1.001 899 F HN -0.056 nan 8.300 nan 0.000 0.479 900 T N -1.603 112.959 114.554 0.013 0.000 3.312 900 T HA 0.300 4.650 4.350 0.001 0.000 0.251 900 T C 0.070 174.820 174.700 0.083 0.000 1.012 900 T CA 0.167 62.281 62.100 0.022 0.000 0.925 900 T CB -0.922 67.828 68.868 -0.198 0.000 1.049 900 T HN 0.277 nan 8.240 nan 0.000 0.583 901 S N 0.328 116.127 115.700 0.165 0.000 2.537 901 S HA 0.625 5.095 4.470 0.001 0.000 0.270 901 S C -0.815 173.961 174.600 0.293 0.000 1.142 901 S CA -1.211 57.128 58.200 0.232 0.000 0.870 901 S CB 0.947 64.330 63.200 0.304 0.000 1.112 901 S HN 0.325 nan 8.310 nan 0.000 0.466 902 I N 2.854 123.486 120.570 0.104 0.000 2.379 902 I HA 0.362 4.532 4.170 0.001 0.000 0.290 902 I C 1.405 177.347 176.117 -0.290 0.000 1.063 902 I CA -0.330 60.945 61.300 -0.042 0.000 1.351 902 I CB 0.137 38.095 38.000 -0.070 0.000 1.410 902 I HN 0.948 nan 8.210 nan 0.000 0.505 903 G N 7.674 116.026 108.800 -0.745 0.000 2.699 903 G HA2 0.109 4.070 3.960 0.001 0.000 0.246 903 G HA3 0.109 4.070 3.960 0.001 0.000 0.246 903 G C -1.270 173.090 174.900 -0.899 0.000 1.219 903 G CA -0.770 43.308 45.100 -1.703 0.000 0.866 903 G HN 0.522 nan 8.290 nan 0.000 0.572 904 P HA -0.026 nan 4.420 nan 0.000 0.233 904 P C 1.764 178.883 177.300 -0.301 0.000 1.167 904 P CA 0.509 63.346 63.100 -0.439 0.000 0.770 904 P CB 0.231 31.716 31.700 -0.358 0.000 0.837 905 L N -1.385 119.648 121.223 -0.317 0.000 2.275 905 L HA -0.085 4.255 4.340 0.001 0.000 0.215 905 L C 2.537 179.302 176.870 -0.176 0.000 1.119 905 L CA 0.951 55.671 54.840 -0.200 0.000 0.790 905 L CB -0.847 41.114 42.059 -0.164 0.000 0.919 905 L HN -0.046 nan 8.230 nan 0.000 0.443 906 M N -0.408 119.074 119.600 -0.196 0.000 2.159 906 M HA -0.169 4.311 4.480 0.001 0.000 0.263 906 M C 1.945 178.174 176.300 -0.118 0.000 1.063 906 M CA 1.629 56.838 55.300 -0.151 0.000 1.110 906 M CB -0.940 31.576 32.600 -0.139 0.000 1.374 906 M HN 0.262 nan 8.290 nan 0.000 0.411 907 E N -0.340 119.787 120.200 -0.121 0.000 2.190 907 E HA -0.095 4.256 4.350 0.001 0.000 0.191 907 E C 2.076 178.629 176.600 -0.078 0.000 0.978 907 E CA 0.538 56.887 56.400 -0.085 0.000 0.839 907 E CB 0.087 29.735 29.700 -0.086 0.000 0.787 907 E HN 0.447 nan 8.360 nan 0.000 0.473 908 K N 0.776 121.118 120.400 -0.096 0.000 2.076 908 K HA -0.040 4.280 4.320 0.001 0.000 0.204 908 K C 1.721 178.275 176.600 -0.076 0.000 1.051 908 K CA 1.018 57.257 56.287 -0.080 0.000 0.949 908 K CB 0.270 32.717 32.500 -0.088 0.000 0.726 908 K HN 0.068 nan 8.250 nan 0.000 0.443 909 I N -0.893 119.620 120.570 -0.095 0.000 3.443 909 I HA 0.234 4.405 4.170 0.001 0.000 0.277 909 I C 1.017 177.065 176.117 -0.116 0.000 1.169 909 I CA 0.362 61.603 61.300 -0.098 0.000 1.419 909 I CB 0.998 38.932 38.000 -0.109 0.000 1.331 909 I HN 0.421 nan 8.210 nan 0.000 0.458 910 G N 1.201 109.916 108.800 -0.141 0.000 2.318 910 G HA2 -0.121 3.839 3.960 0.001 0.000 0.367 910 G HA3 -0.121 3.839 3.960 0.001 0.000 0.367 910 G C -1.385 173.344 174.900 -0.285 0.000 1.260 910 G CA -0.433 44.556 45.100 -0.185 0.000 1.055 910 G HN 0.323 nan 8.290 nan 0.000 0.484 911 N N -0.927 117.466 118.700 -0.513 0.000 2.571 911 N HA 0.718 5.459 4.740 0.001 0.000 0.273 911 N C -0.182 174.602 175.510 -1.210 0.000 1.340 911 N CA 0.005 52.650 53.050 -0.674 0.000 0.789 911 N CB 2.034 40.219 38.487 -0.504 0.000 1.514 911 N HN 1.913 nan 8.380 nan 0.000 0.499 912 G N -0.807 107.361 108.800 -1.054 0.000 2.313 912 G HA2 0.506 4.466 3.960 0.001 0.000 0.296 912 G HA3 0.506 4.466 3.960 0.001 0.000 0.296 912 G C -1.541 173.090 174.900 -0.447 0.000 1.356 912 G CA -0.124 44.331 45.100 -1.075 0.000 0.833 912 G HN 0.814 nan 8.290 nan 0.000 0.552 913 G N -1.335 107.315 108.800 -0.251 0.000 2.519 913 G HA2 0.605 4.565 3.960 0.001 0.000 0.292 913 G HA3 0.605 4.565 3.960 0.001 0.000 0.292 913 G C -0.103 174.713 174.900 -0.139 0.000 1.507 913 G CA 0.209 45.224 45.100 -0.141 0.000 0.806 913 G HN 1.381 nan 8.290 nan 0.000 0.523 914 K N -0.665 119.637 120.400 -0.164 0.000 3.035 914 K HA -0.233 4.087 4.320 0.001 0.000 0.262 914 K C 1.399 177.866 176.600 -0.222 0.000 1.024 914 K CA 1.568 57.731 56.287 -0.206 0.000 0.748 914 K CB -1.313 31.051 32.500 -0.227 0.000 1.247 914 K HN 2.416 nan 8.250 nan 0.000 0.482 915 G N -0.228 108.470 108.800 -0.170 0.000 2.254 915 G HA2 -0.290 3.671 3.960 0.001 0.000 0.225 915 G HA3 -0.290 3.671 3.960 0.001 0.000 0.225 915 G C 0.261 175.059 174.900 -0.169 0.000 1.003 915 G CA 0.164 45.182 45.100 -0.137 0.000 0.622 915 G HN 0.561 nan 8.290 nan 0.000 0.507 916 I N -1.499 118.979 120.570 -0.155 0.000 2.863 916 I HA 0.939 5.110 4.170 0.001 0.000 0.311 916 I C 0.039 176.155 176.117 -0.001 0.000 1.026 916 I CA -0.886 60.403 61.300 -0.019 0.000 1.077 916 I CB 2.248 40.267 38.000 0.031 0.000 1.262 916 I HN 0.789 nan 8.210 nan 0.000 0.461 917 A N 2.643 125.508 122.820 0.075 0.000 2.556 917 A HA 0.899 5.219 4.320 0.001 0.000 0.294 917 A C -1.883 175.767 177.584 0.110 0.000 1.091 917 A CA -0.530 51.426 52.037 -0.135 0.000 0.704 917 A CB 1.291 20.215 19.000 -0.127 0.000 1.300 917 A HN 1.062 nan 8.150 nan 0.000 0.406 918 W N 0.615 121.915 121.300 0.000 0.000 3.025 918 W HA 0.635 5.296 4.660 0.001 0.000 0.343 918 W C -1.052 175.464 176.519 -0.005 0.000 1.246 918 W CA -0.745 56.602 57.345 0.005 0.000 1.178 918 W CB 0.801 30.261 29.460 -0.001 0.000 1.463 918 W HN 0.648 nan 8.180 nan 0.000 0.578 919 N N 0.521 119.399 118.700 0.296 0.000 2.514 919 N HA 0.247 4.987 4.740 0.001 0.000 0.277 919 N C -0.552 175.125 175.510 0.278 0.000 1.126 919 N CA 0.434 53.588 53.050 0.173 0.000 0.978 919 N CB 1.790 40.348 38.487 0.118 0.000 1.106 919 N HN 0.664 nan 8.380 nan 0.000 0.461 920 T N 1.883 116.537 114.554 0.166 0.000 3.393 920 T HA 0.058 4.409 4.350 0.001 0.000 0.298 920 T C 1.071 175.817 174.700 0.077 0.000 1.004 920 T CA -0.232 61.976 62.100 0.180 0.000 0.956 920 T CB 0.069 69.065 68.868 0.213 0.000 1.182 920 T HN 0.547 nan 8.240 nan 0.000 0.497 921 Q N 1.470 121.301 119.800 0.051 0.000 2.096 921 Q HA -0.090 4.251 4.340 0.001 0.000 0.204 921 Q C 2.214 178.225 176.000 0.018 0.000 0.982 921 Q CA 2.683 58.498 55.803 0.019 0.000 0.850 921 Q CB -0.366 28.380 28.738 0.013 0.000 0.901 921 Q HN 0.611 nan 8.270 nan 0.000 0.422 922 S N -0.747 114.970 115.700 0.029 0.000 2.402 922 S HA -0.129 4.341 4.470 0.001 0.000 0.229 922 S C 1.608 176.218 174.600 0.016 0.000 1.021 922 S CA 1.086 59.297 58.200 0.019 0.000 0.974 922 S CB -0.295 62.917 63.200 0.021 0.000 0.800 922 S HN 0.355 nan 8.310 nan 0.000 0.484 923 E N 1.218 121.435 120.200 0.028 0.000 2.107 923 E HA 0.122 4.472 4.350 0.001 0.000 0.191 923 E C 2.055 178.658 176.600 0.005 0.000 0.982 923 E CA 0.898 57.312 56.400 0.024 0.000 0.809 923 E CB -0.334 29.397 29.700 0.051 0.000 0.756 923 E HN 0.384 nan 8.360 nan 0.000 0.459 924 M N 0.759 120.358 119.600 -0.001 0.000 2.229 924 M HA -0.099 4.382 4.480 0.001 0.000 0.264 924 M C 1.015 177.302 176.300 -0.022 0.000 1.063 924 M CA 1.174 56.461 55.300 -0.022 0.000 1.114 924 M CB -0.609 31.969 32.600 -0.037 0.000 1.387 924 M HN 0.062 nan 8.290 nan 0.000 0.420 925 D N 0.379 120.771 120.400 -0.014 0.000 2.117 925 D HA -0.130 4.511 4.640 0.001 0.000 0.197 925 D C 2.029 178.317 176.300 -0.020 0.000 0.987 925 D CA 0.935 54.927 54.000 -0.014 0.000 0.829 925 D CB -0.285 40.510 40.800 -0.007 0.000 0.961 925 D HN 0.229 nan 8.370 nan 0.000 0.460 926 L N 0.695 121.907 121.223 -0.019 0.000 2.093 926 L HA -0.052 4.288 4.340 0.001 0.000 0.208 926 L C 2.132 178.976 176.870 -0.043 0.000 1.085 926 L CA 1.231 56.055 54.840 -0.027 0.000 0.755 926 L CB -0.542 41.506 42.059 -0.017 0.000 0.904 926 L HN -0.021 nan 8.230 nan 0.000 0.435 927 L N -0.850 120.350 121.223 -0.038 0.000 2.131 927 L HA -0.174 4.166 4.340 0.001 0.000 0.210 927 L C 2.722 179.556 176.870 -0.060 0.000 1.092 927 L CA 1.042 55.853 54.840 -0.048 0.000 0.759 927 L CB -0.445 41.591 42.059 -0.038 0.000 0.903 927 L HN 0.241 nan 8.230 nan 0.000 0.435 928 R N 0.091 120.564 120.500 -0.046 0.000 2.120 928 R HA -0.176 4.164 4.340 0.001 0.000 0.234 928 R C 2.175 178.427 176.300 -0.079 0.000 1.123 928 R CA 1.274 57.352 56.100 -0.037 0.000 0.975 928 R CB -0.143 30.147 30.300 -0.016 0.000 0.866 928 R HN 0.341 nan 8.270 nan 0.000 0.446 929 K N 0.137 120.476 120.400 -0.102 0.000 2.137 929 K HA 0.026 4.347 4.320 0.001 0.000 0.202 929 K C 1.970 178.398 176.600 -0.287 0.000 1.052 929 K CA 0.691 56.884 56.287 -0.157 0.000 0.961 929 K CB 0.129 32.573 32.500 -0.093 0.000 0.741 929 K HN 0.067 nan 8.250 nan 0.000 0.452 930 L N 0.756 121.847 121.223 -0.221 0.000 2.095 930 L HA -0.083 4.258 4.340 0.001 0.000 0.204 930 L C 1.170 177.849 176.870 -0.319 0.000 1.080 930 L CA 0.922 55.620 54.840 -0.237 0.000 0.759 930 L CB -0.097 41.888 42.059 -0.122 0.000 0.914 930 L HN 0.165 nan 8.230 nan 0.000 0.439 931 N N -1.953 116.610 118.700 -0.227 0.000 2.299 931 N HA 0.059 4.800 4.740 0.001 0.000 0.187 931 N C -0.755 174.755 175.510 0.001 0.000 1.099 931 N CA -0.088 52.896 53.050 -0.110 0.000 0.867 931 N CB 0.269 38.737 38.487 -0.031 0.000 0.974 931 N HN 0.037 nan 8.380 nan 0.000 0.477 932 Y N -1.189 119.118 120.300 0.011 0.000 2.501 932 Y HA -0.289 4.261 4.550 0.001 0.000 0.023 932 Y C 0.627 176.540 175.900 0.021 0.000 1.697 932 Y CA -0.041 58.069 58.100 0.017 0.000 1.423 932 Y CB -1.338 37.135 38.460 0.022 0.000 2.068 932 Y HN 0.076 nan 8.280 nan 0.000 0.253 933 T N -0.845 113.836 114.554 0.211 0.000 2.916 933 T HA 0.679 5.030 4.350 0.001 0.000 0.292 933 T C -0.835 173.934 174.700 0.114 0.000 1.055 933 T CA -1.514 60.661 62.100 0.125 0.000 1.009 933 T CB 2.247 71.168 68.868 0.088 0.000 1.118 933 T HN 0.463 nan 8.240 nan 0.000 0.497 934 K N 1.082 121.541 120.400 0.099 0.000 2.451 934 K HA 0.326 4.646 4.320 0.001 0.000 0.280 934 K C 1.222 177.869 176.600 0.079 0.000 1.020 934 K CA 0.141 56.484 56.287 0.094 0.000 1.008 934 K CB 0.960 33.523 32.500 0.106 0.000 0.917 934 K HN 0.822 nan 8.250 nan 0.000 0.478 935 A N 3.422 126.283 122.820 0.069 0.000 2.021 935 A HA -0.071 4.250 4.320 0.001 0.000 0.216 935 A C 0.595 178.212 177.584 0.054 0.000 1.163 935 A CA 1.058 53.128 52.037 0.055 0.000 0.676 935 A CB 0.032 19.058 19.000 0.043 0.000 0.818 935 A HN 0.839 nan 8.150 nan 0.000 0.453 936 E N -3.762 116.475 120.200 0.062 0.000 2.425 936 E HA 0.511 4.861 4.350 0.001 0.000 0.272 936 E C 0.103 176.747 176.600 0.073 0.000 1.061 936 E CA -0.813 55.623 56.400 0.061 0.000 0.877 936 E CB 0.261 29.991 29.700 0.051 0.000 1.590 936 E HN 1.272 nan 8.360 nan 0.000 0.462 937 G N 0.546 109.387 108.800 0.068 0.000 2.728 937 G HA2 -0.158 3.802 3.960 0.001 0.000 0.294 937 G HA3 -0.158 3.802 3.960 0.001 0.000 0.294 937 G C -1.831 173.120 174.900 0.084 0.000 1.342 937 G CA -0.257 44.888 45.100 0.074 0.000 0.866 937 G HN 0.525 nan 8.290 nan 0.000 0.534 938 P HA 0.090 nan 4.420 nan 0.000 0.225 938 P C 1.074 178.486 177.300 0.187 0.000 1.148 938 P CA 2.125 65.287 63.100 0.102 0.000 0.779 938 P CB 0.068 31.799 31.700 0.052 0.000 0.780 939 A N -0.620 122.318 122.820 0.196 0.000 2.535 939 A HA 0.148 4.468 4.320 0.001 0.000 0.273 939 A C 0.862 178.552 177.584 0.176 0.000 1.267 939 A CA -0.481 51.733 52.037 0.295 0.000 0.940 939 A CB -0.563 18.656 19.000 0.365 0.000 1.101 939 A HN 0.043 nan 8.150 nan 0.000 0.521 940 K N 0.408 120.883 120.400 0.126 0.000 2.530 940 K HA 0.198 4.518 4.320 0.001 0.000 0.280 940 K C 1.252 177.896 176.600 0.073 0.000 1.004 940 K CA 1.353 57.694 56.287 0.090 0.000 1.071 940 K CB -0.123 32.420 32.500 0.072 0.000 0.876 940 K HN 0.921 nan 8.250 nan 0.000 0.487 941 G N 2.332 111.170 108.800 0.063 0.000 2.217 941 G HA2 -0.219 3.742 3.960 0.001 0.000 0.246 941 G HA3 -0.219 3.742 3.960 0.001 0.000 0.246 941 G C -0.206 174.714 174.900 0.033 0.000 0.990 941 G CA -0.071 45.056 45.100 0.044 0.000 0.627 941 G HN 0.598 nan 8.290 nan 0.000 0.522 942 Q N 1.038 120.864 119.800 0.044 0.000 2.260 942 Q HA 0.455 4.795 4.340 0.001 0.000 0.242 942 Q C -2.374 173.650 176.000 0.040 0.000 0.932 942 Q CA -1.922 53.892 55.803 0.018 0.000 0.891 942 Q CB 0.831 29.580 28.738 0.018 0.000 1.222 942 Q HN 0.224 nan 8.270 nan 0.000 0.453 943 P HA 0.029 nan 4.420 nan 0.000 0.267 943 P C -0.355 176.978 177.300 0.055 0.000 1.200 943 P CA 0.512 63.627 63.100 0.024 0.000 0.772 943 P CB 0.513 32.207 31.700 -0.011 0.000 0.855 944 M N 2.257 121.902 119.600 0.075 0.000 2.342 944 M HA 0.332 4.812 4.480 0.001 0.000 0.332 944 M C 0.051 176.400 176.300 0.081 0.000 1.166 944 M CA -0.235 55.122 55.300 0.096 0.000 1.086 944 M CB 0.729 33.403 32.600 0.124 0.000 1.541 944 M HN 0.142 nan 8.290 nan 0.000 0.462 945 L N 2.558 123.849 121.223 0.114 0.000 2.529 945 L HA 0.316 4.656 4.340 0.001 0.000 0.246 945 L C 0.100 177.143 176.870 0.288 0.000 1.394 945 L CA -0.064 54.864 54.840 0.146 0.000 0.906 945 L CB 0.035 42.197 42.059 0.172 0.000 1.170 945 L HN 0.804 nan 8.230 nan 0.000 0.501 946 N N -0.340 118.493 118.700 0.220 0.000 2.278 946 N HA -0.013 4.728 4.740 0.001 0.000 0.181 946 N C 0.768 176.517 175.510 0.398 0.000 1.023 946 N CA 0.824 54.041 53.050 0.278 0.000 0.862 946 N CB 0.431 39.025 38.487 0.179 0.000 1.003 946 N HN 0.493 nan 8.380 nan 0.000 0.431 947 T N -2.585 112.071 114.554 0.171 0.000 2.952 947 T HA 0.625 4.976 4.350 0.001 0.000 0.286 947 T C 1.074 175.507 174.700 -0.445 0.000 1.024 947 T CA -0.650 61.469 62.100 0.031 0.000 1.029 947 T CB 1.846 70.700 68.868 -0.024 0.000 1.094 947 T HN 0.052 nan 8.240 nan 0.000 0.515 948 A N 0.596 123.059 122.820 -0.594 0.000 1.972 948 A HA 0.073 4.394 4.320 0.001 0.000 0.219 948 A C 2.182 179.380 177.584 -0.644 0.000 1.169 948 A CA 1.056 52.583 52.037 -0.850 0.000 0.635 948 A CB -1.076 17.678 19.000 -0.409 0.000 0.810 948 A HN 0.865 nan 8.150 nan 0.000 0.446 949 I N -0.367 119.895 120.570 -0.513 0.000 2.315 949 I HA -0.194 3.977 4.170 0.001 0.000 0.248 949 I C 1.725 177.596 176.117 -0.410 0.000 1.117 949 I CA 1.177 62.120 61.300 -0.595 0.000 1.404 949 I CB -0.407 37.314 38.000 -0.465 0.000 1.071 949 I HN 0.227 nan 8.210 nan 0.000 0.419 950 D N 1.259 121.474 120.400 -0.307 0.000 2.123 950 D HA -0.164 4.476 4.640 0.001 0.000 0.196 950 D C 2.247 178.391 176.300 -0.259 0.000 0.992 950 D CA 1.613 55.488 54.000 -0.208 0.000 0.833 950 D CB -0.095 40.637 40.800 -0.114 0.000 0.954 950 D HN 0.341 nan 8.370 nan 0.000 0.455 951 A N 0.898 123.456 122.820 -0.438 0.000 1.930 951 A HA 0.010 4.330 4.320 0.001 0.000 0.217 951 A C 2.308 179.726 177.584 -0.276 0.000 1.175 951 A CA 2.006 53.778 52.037 -0.443 0.000 0.627 951 A CB -0.615 17.865 19.000 -0.868 0.000 0.815 951 A HN 0.228 nan 8.150 nan 0.000 0.443 952 A N -0.227 122.408 122.820 -0.309 0.000 1.902 952 A HA -0.149 4.171 4.320 0.001 0.000 0.217 952 A C 1.909 179.456 177.584 -0.062 0.000 1.181 952 A CA 1.613 53.550 52.037 -0.167 0.000 0.623 952 A CB -0.415 18.400 19.000 -0.309 0.000 0.818 952 A HN 0.475 nan 8.150 nan 0.000 0.443 953 E N -0.682 119.458 120.200 -0.100 0.000 2.204 953 E HA -0.188 4.162 4.350 0.001 0.000 0.194 953 E C 1.946 178.532 176.600 -0.024 0.000 0.989 953 E CA 1.190 57.571 56.400 -0.031 0.000 0.824 953 E CB -0.388 29.282 29.700 -0.050 0.000 0.756 953 E HN 0.813 nan 8.360 nan 0.000 0.477 954 M N 0.456 120.025 119.600 -0.052 0.000 2.099 954 M HA -0.141 4.339 4.480 0.001 0.000 0.262 954 M C 2.139 178.443 176.300 0.007 0.000 1.067 954 M CA 1.396 56.676 55.300 -0.033 0.000 1.124 954 M CB -0.053 32.511 32.600 -0.060 0.000 1.353 954 M HN -0.009 nan 8.290 nan 0.000 0.410 955 I N 0.622 121.204 120.570 0.021 0.000 2.163 955 I HA -0.338 3.832 4.170 0.001 0.000 0.243 955 I C 2.296 178.466 176.117 0.089 0.000 1.085 955 I CA 1.367 62.716 61.300 0.083 0.000 1.347 955 I CB -0.547 37.528 38.000 0.124 0.000 1.044 955 I HN 0.383 nan 8.210 nan 0.000 0.408 956 L N -0.091 121.177 121.223 0.075 0.000 2.083 956 L HA -0.185 4.156 4.340 0.001 0.000 0.209 956 L C 2.563 179.468 176.870 0.059 0.000 1.083 956 L CA 1.480 56.365 54.840 0.074 0.000 0.752 956 L CB -0.892 41.215 42.059 0.080 0.000 0.899 956 L HN 0.264 nan 8.230 nan 0.000 0.433 957 T N -0.118 114.463 114.554 0.045 0.000 2.904 957 T HA -0.034 4.317 4.350 0.001 0.000 0.267 957 T C 1.921 176.653 174.700 0.053 0.000 1.059 957 T CA 0.936 63.058 62.100 0.036 0.000 1.137 957 T CB -0.017 68.862 68.868 0.018 0.000 0.879 957 T HN 0.190 nan 8.240 nan 0.000 0.467 958 L N 0.383 121.650 121.223 0.073 0.000 2.270 958 L HA 0.298 4.638 4.340 0.001 0.000 0.210 958 L C 1.399 178.368 176.870 0.165 0.000 1.104 958 L CA -0.223 54.689 54.840 0.120 0.000 0.804 958 L CB -0.336 41.787 42.059 0.106 0.000 0.937 958 L HN 0.124 nan 8.230 nan 0.000 0.450 959 A N 0.856 123.754 122.820 0.131 0.000 2.401 959 A HA 0.267 4.587 4.320 0.001 0.000 0.259 959 A C -1.446 176.164 177.584 0.043 0.000 1.103 959 A CA -1.196 50.920 52.037 0.132 0.000 0.789 959 A CB 0.008 19.093 19.000 0.141 0.000 1.035 959 A HN -0.032 nan 8.150 nan 0.000 0.491 960 P HA -0.189 nan 4.420 nan 0.000 0.218 960 P C 0.941 178.210 177.300 -0.052 0.000 1.149 960 P CA 1.252 64.252 63.100 -0.166 0.000 0.817 960 P CB 0.215 31.689 31.700 -0.377 0.000 0.785 961 E N 1.083 121.298 120.200 0.026 0.000 2.482 961 E HA -0.063 4.287 4.350 0.001 0.000 0.196 961 E C 0.772 177.409 176.600 0.062 0.000 1.047 961 E CA 1.283 57.728 56.400 0.075 0.000 0.869 961 E CB -0.442 29.348 29.700 0.150 0.000 0.836 961 E HN 0.291 nan 8.360 nan 0.000 0.520 962 T N -2.382 112.203 114.554 0.052 0.000 3.058 962 T HA 0.185 4.536 4.350 0.001 0.000 0.278 962 T C 0.307 175.028 174.700 0.035 0.000 0.974 962 T CA -0.540 61.589 62.100 0.049 0.000 0.893 962 T CB 0.043 68.949 68.868 0.062 0.000 1.138 962 T HN -0.065 nan 8.240 nan 0.000 0.529 963 N N 0.786 119.497 118.700 0.019 0.000 2.577 963 N HA 0.399 5.140 4.740 0.001 0.000 0.275 963 N C 1.215 176.716 175.510 -0.016 0.000 1.091 963 N CA -0.132 52.921 53.050 0.004 0.000 0.843 963 N CB 1.556 40.045 38.487 0.003 0.000 1.295 963 N HN 0.166 nan 8.380 nan 0.000 0.530 964 G N 1.688 110.488 108.800 -0.000 0.000 2.450 964 G HA2 -0.296 3.665 3.960 0.001 0.000 0.220 964 G HA3 -0.296 3.665 3.960 0.001 0.000 0.220 964 G C 0.949 175.839 174.900 -0.016 0.000 1.130 964 G CA 0.770 45.872 45.100 0.004 0.000 0.760 964 G HN 0.669 nan 8.290 nan 0.000 0.557 965 Q N -0.328 119.457 119.800 -0.024 0.000 2.124 965 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 965 Q C 2.603 178.550 176.000 -0.089 0.000 0.977 965 Q CA 1.282 57.065 55.803 -0.034 0.000 0.850 965 Q CB -0.041 28.686 28.738 -0.018 0.000 0.901 965 Q HN 0.381 nan 8.270 nan 0.000 0.429 966 V N 0.366 120.199 119.914 -0.135 0.000 2.488 966 V HA -0.143 3.977 4.120 0.001 0.000 0.246 966 V C 2.270 178.102 176.094 -0.437 0.000 1.046 966 V CA 1.364 63.478 62.300 -0.310 0.000 1.053 966 V CB -0.795 30.873 31.823 -0.258 0.000 0.679 966 V HN 0.462 nan 8.190 nan 0.000 0.458 967 A N 0.158 122.825 122.820 -0.254 0.000 1.908 967 A HA -0.191 4.130 4.320 0.001 0.000 0.218 967 A C 2.406 179.943 177.584 -0.078 0.000 1.181 967 A CA 2.294 54.205 52.037 -0.210 0.000 0.627 967 A CB -0.745 18.248 19.000 -0.012 0.000 0.818 967 A HN 0.329 nan 8.150 nan 0.000 0.445 968 V N 0.000 119.918 119.914 0.006 0.000 2.343 968 V HA -0.269 3.852 4.120 0.001 0.000 0.247 968 V C 2.464 178.573 176.094 0.024 0.000 1.051 968 V CA 2.364 64.718 62.300 0.090 0.000 1.036 968 V CB -0.638 31.215 31.823 0.049 0.000 0.654 968 V HN 0.550 nan 8.190 nan 0.000 0.451 969 K N 0.046 120.377 120.400 -0.115 0.000 2.097 969 K HA -0.118 4.203 4.320 0.001 0.000 0.206 969 K C 2.284 178.779 176.600 -0.174 0.000 1.049 969 K CA 1.417 57.630 56.287 -0.123 0.000 0.933 969 K CB -0.362 32.029 32.500 -0.182 0.000 0.717 969 K HN 0.485 nan 8.250 nan 0.000 0.442 970 A N 0.545 123.073 122.820 -0.487 0.000 1.873 970 A HA -0.153 4.168 4.320 0.001 0.000 0.215 970 A C 1.844 179.320 177.584 -0.181 0.000 1.186 970 A CA 1.052 52.775 52.037 -0.523 0.000 0.616 970 A CB -0.899 17.493 19.000 -1.012 0.000 0.823 970 A HN 0.441 nan 8.150 nan 0.000 0.442 971 W N -0.253 120.987 121.300 -0.101 0.000 2.363 971 W HA -0.077 4.583 4.660 0.001 0.000 0.296 971 W C 2.752 179.316 176.519 0.075 0.000 1.212 971 W CA 1.080 58.423 57.345 -0.004 0.000 1.260 971 W CB -0.027 29.425 29.460 -0.012 0.000 1.131 971 W HN 0.414 nan 8.180 nan 0.000 0.530 972 A N 0.457 123.445 122.820 0.279 0.000 1.902 972 A HA -0.131 4.190 4.320 0.001 0.000 0.217 972 A C 2.027 179.750 177.584 0.231 0.000 1.181 972 A CA 2.299 54.466 52.037 0.217 0.000 0.623 972 A CB -1.327 17.759 19.000 0.144 0.000 0.818 972 A HN 0.211 nan 8.150 nan 0.000 0.443 973 A N -0.580 122.375 122.820 0.225 0.000 1.908 973 A HA -0.082 4.238 4.320 0.001 0.000 0.218 973 A C 2.140 179.935 177.584 0.352 0.000 1.181 973 A CA 1.824 54.028 52.037 0.277 0.000 0.627 973 A CB -0.611 18.572 19.000 0.306 0.000 0.818 973 A HN 0.689 nan 8.150 nan 0.000 0.445 974 L N -0.008 121.392 121.223 0.295 0.000 2.056 974 L HA -0.077 4.263 4.340 0.001 0.000 0.207 974 L C 2.456 179.607 176.870 0.468 0.000 1.078 974 L CA 2.445 57.472 54.840 0.313 0.000 0.749 974 L CB -0.651 41.548 42.059 0.234 0.000 0.901 974 L HN 0.285 nan 8.230 nan 0.000 0.433 975 S N -0.288 115.682 115.700 0.450 0.000 2.419 975 S HA -0.166 4.305 4.470 0.001 0.000 0.235 975 S C 1.745 176.504 174.600 0.265 0.000 1.019 975 S CA 1.152 59.566 58.200 0.358 0.000 0.982 975 S CB -0.374 62.957 63.200 0.218 0.000 0.789 975 S HN 0.513 nan 8.310 nan 0.000 0.490 976 E N 0.479 120.840 120.200 0.269 0.000 2.150 976 E HA -0.052 4.299 4.350 0.001 0.000 0.193 976 E C 1.582 178.241 176.600 0.098 0.000 0.985 976 E CA 0.856 57.340 56.400 0.140 0.000 0.814 976 E CB -0.274 29.472 29.700 0.077 0.000 0.752 976 E HN 0.593 nan 8.360 nan 0.000 0.466 977 F N 0.894 120.911 119.950 0.112 0.000 2.118 977 F HA -0.142 4.386 4.527 0.001 0.000 0.293 977 F C 2.836 178.777 175.800 0.236 0.000 1.102 977 F CA 1.614 59.686 58.000 0.120 0.000 1.247 977 F CB -0.545 38.519 39.000 0.106 0.000 1.017 977 F HN 0.045 nan 8.300 nan 0.000 0.475 978 T N -2.926 111.921 114.554 0.487 0.000 2.985 978 T HA 0.189 4.539 4.350 0.001 0.000 0.266 978 T C 1.890 176.689 174.700 0.164 0.000 1.076 978 T CA 0.892 63.185 62.100 0.322 0.000 1.135 978 T CB -0.348 68.738 68.868 0.364 0.000 0.890 978 T HN 0.519 nan 8.240 nan 0.000 0.480 979 G N 1.460 110.340 108.800 0.133 0.000 2.179 979 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 979 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 979 G C 0.134 175.029 174.900 -0.009 0.000 0.977 979 G CA 0.094 45.223 45.100 0.049 0.000 0.641 979 G HN 0.745 nan 8.290 nan 0.000 0.533 980 R N 0.272 120.744 120.500 -0.046 0.000 2.589 980 R HA 0.488 4.828 4.340 0.001 0.000 0.293 980 R C -1.079 174.967 176.300 -0.423 0.000 0.963 980 R CA -0.927 55.043 56.100 -0.217 0.000 0.905 980 R CB 1.322 31.477 30.300 -0.241 0.000 1.144 980 R HN 0.137 nan 8.270 nan 0.000 0.459 981 D N 1.351 121.553 120.400 -0.329 0.000 2.312 981 D HA 0.056 4.696 4.640 0.001 0.000 0.252 981 D C 0.129 176.251 176.300 -0.298 0.000 1.150 981 D CA 0.184 54.047 54.000 -0.229 0.000 0.870 981 D CB 0.741 41.492 40.800 -0.083 0.000 1.153 981 D HN 0.611 nan 8.370 nan 0.000 0.457 982 H N 1.399 120.515 119.070 0.077 0.000 3.058 982 H HA 0.018 4.575 4.556 0.001 0.000 0.266 982 H C 1.713 176.781 175.328 -0.434 0.000 1.135 982 H CA 0.366 56.318 56.048 -0.161 0.000 1.174 982 H CB 0.544 30.222 29.762 -0.140 0.000 1.581 982 H HN 0.454 nan 8.280 nan 0.000 0.553 983 T N -0.258 114.285 114.554 -0.020 0.000 2.897 983 T HA -0.213 4.138 4.350 0.001 0.000 0.271 983 T C 1.809 176.409 174.700 -0.166 0.000 1.084 983 T CA 1.434 63.508 62.100 -0.043 0.000 1.123 983 T CB -0.644 68.266 68.868 0.069 0.000 0.865 983 T HN 0.579 nan 8.240 nan 0.000 0.496 984 H N 1.314 120.283 119.070 -0.168 0.000 2.543 984 H HA 0.111 4.668 4.556 0.001 0.000 0.286 984 H C 1.856 177.067 175.328 -0.195 0.000 1.037 984 H CA 0.665 56.628 56.048 -0.142 0.000 1.250 984 H CB -0.679 29.013 29.762 -0.116 0.000 1.373 984 H HN 0.399 nan 8.280 nan 0.000 0.580 985 L N 0.038 120.693 121.223 -0.948 0.000 2.313 985 L HA 0.080 4.420 4.340 0.001 0.000 0.214 985 L C 2.383 179.046 176.870 -0.345 0.000 1.119 985 L CA 0.922 55.287 54.840 -0.791 0.000 0.809 985 L CB -0.021 41.271 42.059 -1.277 0.000 0.933 985 L HN 0.415 nan 8.230 nan 0.000 0.449 986 A N -1.511 121.175 122.820 -0.224 0.000 2.427 986 A HA 0.231 4.551 4.320 0.001 0.000 0.225 986 A C 1.896 179.492 177.584 0.020 0.000 1.257 986 A CA -0.294 51.760 52.037 0.027 0.000 0.985 986 A CB 0.051 19.208 19.000 0.262 0.000 1.136 986 A HN 0.159 nan 8.150 nan 0.000 0.538 987 L N 0.462 121.678 121.223 -0.012 0.000 2.051 987 L HA -0.237 4.104 4.340 0.001 0.000 0.214 987 L C 1.560 178.439 176.870 0.014 0.000 1.076 987 L CA 1.327 56.174 54.840 0.012 0.000 0.758 987 L CB -0.364 41.704 42.059 0.014 0.000 0.890 987 L HN 0.399 nan 8.230 nan 0.000 0.433 988 N N -0.109 118.597 118.700 0.009 0.000 2.571 988 N HA -0.090 4.651 4.740 0.001 0.000 0.189 988 N C 1.007 176.525 175.510 0.015 0.000 1.154 988 N CA 0.874 53.932 53.050 0.013 0.000 0.907 988 N CB 0.126 38.622 38.487 0.014 0.000 0.977 988 N HN 0.414 nan 8.380 nan 0.000 0.449 989 K N 0.099 120.511 120.400 0.019 0.000 2.483 989 K HA 0.124 4.445 4.320 0.001 0.000 0.206 989 K C 0.043 176.658 176.600 0.025 0.000 1.086 989 K CA -0.174 56.127 56.287 0.023 0.000 1.052 989 K CB 1.211 33.730 32.500 0.032 0.000 0.904 989 K HN 0.157 nan 8.250 nan 0.000 0.557 990 E N 1.127 121.341 120.200 0.023 0.000 2.422 990 E HA -0.106 4.245 4.350 0.001 0.000 0.260 990 E C -0.474 176.134 176.600 0.014 0.000 1.108 990 E CA 0.733 57.144 56.400 0.019 0.000 0.943 990 E CB 0.491 30.201 29.700 0.018 0.000 0.961 990 E HN 0.129 nan 8.360 nan 0.000 0.443 991 D N -0.007 120.399 120.400 0.010 0.000 2.202 991 D HA -0.160 4.480 4.640 0.001 0.000 0.165 991 D C -0.772 175.534 176.300 0.009 0.000 1.170 991 D CA 1.258 55.263 54.000 0.008 0.000 1.110 991 D CB -0.532 40.273 40.800 0.009 0.000 1.160 991 D HN 0.458 nan 8.370 nan 0.000 0.496 992 E N 0.915 121.122 120.200 0.012 0.000 2.259 992 E HA 0.296 4.647 4.350 0.001 0.000 0.281 992 E C -0.313 176.296 176.600 0.014 0.000 1.037 992 E CA 0.363 56.772 56.400 0.014 0.000 0.854 992 E CB 0.840 30.551 29.700 0.019 0.000 1.051 992 E HN 0.099 nan 8.360 nan 0.000 0.409 993 K N 3.935 124.343 120.400 0.014 0.000 2.613 993 K HA 0.366 4.687 4.320 0.001 0.000 0.248 993 K C -0.559 176.053 176.600 0.020 0.000 0.959 993 K CA -0.450 55.847 56.287 0.016 0.000 0.855 993 K CB 1.364 33.871 32.500 0.012 0.000 1.143 993 K HN 0.409 nan 8.250 nan 0.000 0.437 994 I N 3.858 124.444 120.570 0.028 0.000 2.471 994 I HA 0.159 4.329 4.170 0.001 0.000 0.286 994 I C 0.473 176.614 176.117 0.040 0.000 1.079 994 I CA -0.174 61.144 61.300 0.030 0.000 1.398 994 I CB 0.356 38.379 38.000 0.038 0.000 1.403 994 I HN 0.291 nan 8.210 nan 0.000 0.530 995 R N 4.735 125.255 120.500 0.034 0.000 2.664 995 R HA 0.237 4.577 4.340 0.001 0.000 0.286 995 R C 0.582 176.928 176.300 0.078 0.000 0.967 995 R CA -0.723 55.413 56.100 0.060 0.000 0.933 995 R CB 1.349 31.674 30.300 0.041 0.000 1.146 995 R HN 0.538 nan 8.270 nan 0.000 0.468 996 F N 2.707 122.649 119.950 -0.013 0.000 2.095 996 F HA -0.170 4.358 4.527 0.001 0.000 0.298 996 F C 2.054 177.847 175.800 -0.012 0.000 1.104 996 F CA 1.805 59.797 58.000 -0.013 0.000 1.232 996 F CB 0.180 39.167 39.000 -0.022 0.000 0.987 996 F HN 0.410 nan 8.300 nan 0.000 0.475 997 R N -0.015 120.545 120.500 0.099 0.000 2.193 997 R HA -0.138 4.202 4.340 0.001 0.000 0.229 997 R C 1.666 177.914 176.300 -0.087 0.000 1.110 997 R CA 1.290 57.389 56.100 -0.001 0.000 0.988 997 R CB -0.447 29.894 30.300 0.069 0.000 0.871 997 R HN 0.327 nan 8.270 nan 0.000 0.458 998 D N 0.836 121.194 120.400 -0.071 0.000 2.149 998 D HA -0.101 4.539 4.640 0.001 0.000 0.201 998 D C 1.873 178.099 176.300 -0.124 0.000 0.972 998 D CA 1.016 54.970 54.000 -0.077 0.000 0.835 998 D CB -0.080 40.695 40.800 -0.042 0.000 0.966 998 D HN 0.351 nan 8.370 nan 0.000 0.476 999 I N -1.315 119.153 120.570 -0.171 0.000 2.830 999 I HA -0.128 4.043 4.170 0.001 0.000 0.263 999 I C 1.798 177.767 176.117 -0.247 0.000 1.230 999 I CA 0.895 62.082 61.300 -0.189 0.000 1.480 999 I CB -0.343 37.551 38.000 -0.176 0.000 1.095 999 I HN -0.138 nan 8.210 nan 0.000 0.455 1000 Q N 1.635 121.246 119.800 -0.314 0.000 2.167 1000 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 1000 Q C 2.534 178.425 176.000 -0.181 0.000 0.970 1000 Q CA 1.624 57.265 55.803 -0.270 0.000 0.855 1000 Q CB -0.093 28.491 28.738 -0.256 0.000 0.911 1000 Q HN 0.745 nan 8.270 nan 0.000 0.438 1001 A N 0.358 123.084 122.820 -0.155 0.000 1.898 1001 A HA -0.078 4.243 4.320 0.001 0.000 0.214 1001 A C 0.984 178.475 177.584 -0.156 0.000 1.183 1001 A CA 0.790 52.749 52.037 -0.130 0.000 0.622 1001 A CB 0.197 19.138 19.000 -0.099 0.000 0.824 1001 A HN 0.309 nan 8.150 nan 0.000 0.444 1002 Q N -0.917 118.783 119.800 -0.166 0.000 2.327 1002 Q HA 0.350 4.690 4.340 0.001 0.000 0.265 1002 Q C -3.130 172.750 176.000 -0.199 0.000 0.993 1002 Q CA -2.084 53.596 55.803 -0.206 0.000 0.885 1002 Q CB 2.159 30.792 28.738 -0.176 0.000 1.379 1002 Q HN 0.039 nan 8.270 nan 0.000 0.408 1003 P HA 0.045 nan 4.420 nan 0.000 0.266 1003 P C -1.157 176.083 177.300 -0.100 0.000 1.195 1003 P CA 0.093 63.072 63.100 -0.202 0.000 0.768 1003 P CB 0.526 31.969 31.700 -0.428 0.000 0.838 1004 R N 2.308 122.841 120.500 0.054 0.000 2.711 1004 R HA 0.417 4.757 4.340 0.001 0.000 0.284 1004 R C 0.061 176.512 176.300 0.253 0.000 0.968 1004 R CA -0.970 55.201 56.100 0.118 0.000 0.924 1004 R CB 1.319 31.654 30.300 0.058 0.000 1.162 1004 R HN 0.433 nan 8.270 nan 0.000 0.465 1005 K N 1.833 122.370 120.400 0.229 0.000 2.218 1005 K HA 0.208 4.528 4.320 0.001 0.000 0.276 1005 K C 0.662 177.294 176.600 0.053 0.000 1.022 1005 K CA -0.454 55.904 56.287 0.117 0.000 0.946 1005 K CB 0.595 33.129 32.500 0.056 0.000 1.000 1005 K HN 0.373 nan 8.250 nan 0.000 0.468 1006 I N -0.035 120.538 120.570 0.006 0.000 3.276 1006 I HA 0.295 4.466 4.170 0.001 0.000 0.306 1006 I C 0.149 176.288 176.117 0.037 0.000 1.060 1006 I CA -0.337 60.976 61.300 0.022 0.000 1.133 1006 I CB 0.197 38.199 38.000 0.004 0.000 1.473 1006 I HN 0.372 nan 8.210 nan 0.000 0.649 1007 I N 1.057 121.665 120.570 0.064 0.000 2.498 1007 I HA 0.269 4.439 4.170 0.001 0.000 0.301 1007 I C 0.277 176.484 176.117 0.151 0.000 0.984 1007 I CA -0.580 60.773 61.300 0.090 0.000 1.204 1007 I CB 1.406 39.454 38.000 0.079 0.000 1.362 1007 I HN 0.569 nan 8.210 nan 0.000 0.471 1008 S N 3.375 119.191 115.700 0.193 0.000 2.544 1008 S HA 0.171 4.642 4.470 0.001 0.000 0.290 1008 S C -0.025 174.847 174.600 0.454 0.000 1.276 1008 S CA -0.131 58.260 58.200 0.319 0.000 1.075 1008 S CB 0.306 63.666 63.200 0.267 0.000 0.849 1008 S HN 0.699 nan 8.310 nan 0.000 0.494 1009 S N 3.489 119.394 115.700 0.341 0.000 2.564 1009 S HA 0.564 5.035 4.470 0.001 0.000 0.274 1009 S C -2.402 171.786 174.600 -0.687 0.000 1.124 1009 S CA -1.620 56.449 58.200 -0.219 0.000 0.869 1009 S CB 1.854 64.970 63.200 -0.141 0.000 1.105 1009 S HN 0.366 nan 8.310 nan 0.000 0.472 1010 P HA 0.025 nan 4.420 nan 0.000 0.231 1010 P C 0.996 177.943 177.300 -0.588 0.000 1.158 1010 P CA 0.879 63.196 63.100 -1.306 0.000 0.763 1010 P CB -0.370 30.587 31.700 -1.239 0.000 0.805 1011 T N -1.842 112.377 114.554 -0.558 0.000 2.995 1011 T HA -0.046 4.304 4.350 0.001 0.000 0.269 1011 T C 0.326 174.439 174.700 -0.977 0.000 1.091 1011 T CA 1.000 62.661 62.100 -0.733 0.000 1.128 1011 T CB -0.244 68.132 68.868 -0.819 0.000 0.891 1011 T HN 0.221 nan 8.240 nan 0.000 0.492 1012 W N -0.021 121.277 121.300 -0.004 0.000 2.902 1012 W HA 0.457 5.118 4.660 0.001 0.000 0.346 1012 W C 0.897 177.478 176.519 0.103 0.000 1.139 1012 W CA -0.967 56.446 57.345 0.112 0.000 1.139 1012 W CB 1.101 30.700 29.460 0.231 0.000 1.439 1012 W HN -0.217 nan 8.180 nan 0.000 0.558 1013 S N -0.418 115.495 115.700 0.355 0.000 2.557 1013 S HA 0.401 4.872 4.470 0.001 0.000 0.223 1013 S C 0.358 174.960 174.600 0.004 0.000 0.969 1013 S CA -0.208 58.080 58.200 0.146 0.000 0.927 1013 S CB -0.138 63.105 63.200 0.071 0.000 0.806 1013 S HN 0.560 nan 8.310 nan 0.000 0.489 1014 G N 0.793 109.451 108.800 -0.237 0.000 2.509 1014 G HA2 0.704 4.665 3.960 0.001 0.000 0.328 1014 G HA3 0.704 4.665 3.960 0.001 0.000 0.328 1014 G C -1.076 173.530 174.900 -0.489 0.000 1.194 1014 G CA -0.968 43.525 45.100 -1.012 0.000 0.967 1014 G HN 0.346 nan 8.290 nan 0.000 0.488 1015 L N 0.025 120.977 121.223 -0.451 0.000 2.333 1015 L HA 0.463 4.804 4.340 0.001 0.000 0.269 1015 L C -0.554 176.312 176.870 -0.006 0.000 1.010 1015 L CA -1.004 53.759 54.840 -0.128 0.000 0.818 1015 L CB 2.322 44.248 42.059 -0.221 0.000 1.306 1015 L HN 0.303 nan 8.230 nan 0.000 0.430 1016 E N 2.110 122.346 120.200 0.059 0.000 2.042 1016 E HA 0.297 4.647 4.350 0.001 0.000 0.260 1016 E C -1.367 175.221 176.600 -0.020 0.000 0.975 1016 E CA -0.130 56.291 56.400 0.036 0.000 0.799 1016 E CB 1.244 30.976 29.700 0.055 0.000 1.131 1016 E HN 0.450 nan 8.360 nan 0.000 0.423 1017 D N 0.492 120.854 120.400 -0.063 0.000 2.547 1017 D HA 0.098 4.738 4.640 0.001 0.000 0.231 1017 D C 0.711 176.944 176.300 -0.111 0.000 1.099 1017 D CA -0.468 53.485 54.000 -0.078 0.000 0.901 1017 D CB 1.517 42.264 40.800 -0.089 0.000 1.478 1017 D HN 0.152 nan 8.370 nan 0.000 0.471 1018 E N 0.154 120.248 120.200 -0.177 0.000 2.285 1018 E HA -0.127 4.224 4.350 0.001 0.000 0.194 1018 E C 0.361 176.707 176.600 -0.423 0.000 0.997 1018 E CA 0.923 57.131 56.400 -0.320 0.000 0.845 1018 E CB 0.175 29.603 29.700 -0.453 0.000 0.782 1018 E HN 0.574 nan 8.360 nan 0.000 0.491 1019 H N -1.642 117.406 119.070 -0.036 0.000 2.750 1019 H HA 0.258 4.814 4.556 0.001 0.000 0.263 1019 H C -0.154 175.141 175.328 -0.054 0.000 0.964 1019 H CA -0.035 55.993 56.048 -0.033 0.000 1.205 1019 H CB 1.616 31.365 29.762 -0.022 0.000 1.454 1019 H HN -0.095 nan 8.280 nan 0.000 0.503 1020 V N 0.750 120.655 119.914 -0.016 0.000 2.709 1020 V HA 0.391 4.512 4.120 0.001 0.000 0.308 1020 V C -0.363 175.640 176.094 -0.152 0.000 1.062 1020 V CA -0.709 61.529 62.300 -0.102 0.000 0.901 1020 V CB 2.081 33.769 31.823 -0.225 0.000 1.003 1020 V HN 0.232 nan 8.190 nan 0.000 0.425 1021 S N 4.086 119.714 115.700 -0.121 0.000 2.608 1021 S HA 0.301 4.772 4.470 0.001 0.000 0.261 1021 S C -0.671 173.855 174.600 -0.122 0.000 1.314 1021 S CA -0.071 58.070 58.200 -0.099 0.000 0.992 1021 S CB 0.440 63.594 63.200 -0.076 0.000 0.935 1021 S HN 0.750 nan 8.310 nan 0.000 0.564 1022 Y N 2.755 122.955 120.300 -0.166 0.000 2.496 1022 Y HA 0.174 4.725 4.550 0.001 0.000 0.334 1022 Y C 0.394 176.250 175.900 -0.073 0.000 1.080 1022 Y CA 0.321 58.338 58.100 -0.138 0.000 1.355 1022 Y CB 0.192 38.570 38.460 -0.137 0.000 1.193 1022 Y HN 0.549 nan 8.280 nan 0.000 0.523 1023 N N 5.268 123.749 118.700 -0.363 0.000 2.480 1023 N HA 0.378 5.119 4.740 0.001 0.000 0.289 1023 N C -1.352 174.081 175.510 -0.129 0.000 1.073 1023 N CA -0.435 52.565 53.050 -0.084 0.000 0.885 1023 N CB 1.395 39.908 38.487 0.043 0.000 1.421 1023 N HN 0.823 nan 8.380 nan 0.000 0.503 1024 A N 1.577 124.406 122.820 0.015 0.000 2.531 1024 A HA 0.432 4.752 4.320 0.001 0.000 0.236 1024 A C 1.433 179.063 177.584 0.077 0.000 1.062 1024 A CA 1.110 53.184 52.037 0.063 0.000 0.760 1024 A CB -0.379 18.730 19.000 0.182 0.000 0.995 1024 A HN 1.305 nan 8.150 nan 0.000 0.501 1025 G N 0.123 108.961 108.800 0.065 0.000 2.179 1025 G HA2 -0.365 3.596 3.960 0.001 0.000 0.260 1025 G HA3 -0.365 3.596 3.960 0.001 0.000 0.260 1025 G C 0.808 175.743 174.900 0.059 0.000 0.977 1025 G CA 1.136 46.285 45.100 0.081 0.000 0.641 1025 G HN 1.221 nan 8.290 nan 0.000 0.533 1026 Y N 2.069 122.358 120.300 -0.019 0.000 2.145 1026 Y HA -0.133 4.417 4.550 0.001 0.000 0.286 1026 Y C 3.175 179.121 175.900 0.076 0.000 1.145 1026 Y CA 3.349 61.497 58.100 0.081 0.000 1.148 1026 Y CB -0.244 38.194 38.460 -0.036 0.000 0.981 1026 Y HN 0.486 nan 8.280 nan 0.000 0.507 1027 T N -2.123 112.496 114.554 0.108 0.000 2.915 1027 T HA -0.135 4.215 4.350 0.001 0.000 0.269 1027 T C 1.673 176.250 174.700 -0.206 0.000 1.071 1027 T CA 1.277 63.374 62.100 -0.005 0.000 1.132 1027 T CB -0.425 68.457 68.868 0.023 0.000 0.878 1027 T HN 0.357 nan 8.240 nan 0.000 0.479 1028 N N 1.336 119.805 118.700 -0.385 0.000 2.080 1028 N HA -0.039 4.702 4.740 0.001 0.000 0.189 1028 N C 2.027 177.185 175.510 -0.587 0.000 1.036 1028 N CA 1.358 53.966 53.050 -0.737 0.000 0.846 1028 N CB -0.445 37.125 38.487 -1.527 0.000 1.015 1028 N HN 0.293 nan 8.380 nan 0.000 0.423 1029 V N 1.624 121.203 119.914 -0.557 0.000 2.358 1029 V HA -0.165 3.955 4.120 0.001 0.000 0.246 1029 V C 1.906 177.674 176.094 -0.543 0.000 1.047 1029 V CA 1.481 63.358 62.300 -0.705 0.000 1.035 1029 V CB -0.559 30.794 31.823 -0.783 0.000 0.658 1029 V HN 0.401 nan 8.190 nan 0.000 0.452 1030 H N -0.891 117.986 119.070 -0.322 0.000 2.520 1030 H HA 0.159 4.715 4.556 0.001 0.000 0.279 1030 H C 1.651 176.919 175.328 -0.100 0.000 0.990 1030 H CA 0.728 56.632 56.048 -0.240 0.000 1.288 1030 H CB 0.593 30.075 29.762 -0.468 0.000 1.446 1030 H HN 0.410 nan 8.280 nan 0.000 0.538 1031 E N 0.683 120.888 120.200 0.008 0.000 2.498 1031 E HA 0.119 4.470 4.350 0.001 0.000 0.203 1031 E C 0.751 177.383 176.600 0.053 0.000 1.013 1031 E CA -0.211 56.241 56.400 0.085 0.000 0.927 1031 E CB 0.772 30.526 29.700 0.090 0.000 1.012 1031 E HN 0.312 nan 8.360 nan 0.000 0.482 1032 L N 0.998 122.184 121.223 -0.063 0.000 3.843 1032 L HA -0.225 4.115 4.340 0.001 0.000 0.411 1032 L C -0.079 176.671 176.870 -0.199 0.000 1.205 1032 L CA 0.345 55.127 54.840 -0.098 0.000 0.945 1032 L CB -1.796 40.237 42.059 -0.043 0.000 1.929 1032 L HN 0.151 nan 8.230 nan 0.000 0.934 1033 I N 0.913 121.299 120.570 -0.307 0.000 2.441 1033 I HA 0.247 4.418 4.170 0.001 0.000 0.287 1033 I C -1.647 174.071 176.117 -0.666 0.000 1.049 1033 I CA -1.722 59.305 61.300 -0.455 0.000 1.381 1033 I CB 0.869 38.617 38.000 -0.420 0.000 1.409 1033 I HN -0.167 nan 8.210 nan 0.000 0.523 1034 P HA 0.008 nan 4.420 nan 0.000 0.274 1034 P C -0.808 176.190 177.300 -0.502 0.000 1.237 1034 P CA -0.332 62.333 63.100 -0.724 0.000 0.793 1034 P CB 0.453 31.512 31.700 -1.069 0.000 0.977 1035 W N 1.813 123.057 121.300 -0.093 0.000 2.251 1035 W HA 0.202 4.863 4.660 0.001 0.000 0.329 1035 W C 0.887 177.517 176.519 0.185 0.000 1.234 1035 W CA -0.015 57.378 57.345 0.081 0.000 1.228 1035 W CB 0.380 29.941 29.460 0.169 0.000 1.135 1035 W HN 0.240 nan 8.180 nan 0.000 0.576 1036 R N 1.682 122.479 120.500 0.496 0.000 4.576 1036 R HA 0.054 4.394 4.340 0.001 0.000 0.185 1036 R C 0.528 177.120 176.300 0.487 0.000 1.837 1036 R CA 0.188 56.606 56.100 0.530 0.000 1.520 1036 R CB -0.520 30.054 30.300 0.456 0.000 1.403 1036 R HN 0.279 nan 8.270 nan 0.000 0.831 1037 T N -3.345 111.433 114.554 0.373 0.000 2.927 1037 T HA 0.198 4.549 4.350 0.001 0.000 0.286 1037 T C 0.934 175.764 174.700 0.216 0.000 1.040 1037 T CA -1.031 61.161 62.100 0.153 0.000 1.010 1037 T CB 1.166 69.951 68.868 -0.139 0.000 1.177 1037 T HN 0.121 nan 8.240 nan 0.000 0.546 1038 L N 1.353 122.672 121.223 0.162 0.000 2.013 1038 L HA -0.064 4.276 4.340 0.001 0.000 0.212 1038 L C 2.533 179.534 176.870 0.218 0.000 1.073 1038 L CA 2.885 57.867 54.840 0.236 0.000 0.753 1038 L CB -1.068 41.130 42.059 0.231 0.000 0.890 1038 L HN 0.931 nan 8.230 nan 0.000 0.432 1039 S N -1.734 114.055 115.700 0.149 0.000 2.501 1039 S HA 0.267 4.738 4.470 0.001 0.000 0.220 1039 S C 1.690 176.404 174.600 0.189 0.000 0.997 1039 S CA 0.424 58.721 58.200 0.160 0.000 0.919 1039 S CB -0.071 63.194 63.200 0.109 0.000 0.778 1039 S HN 0.923 nan 8.310 nan 0.000 0.523 1040 G N 0.871 109.800 108.800 0.215 0.000 2.225 1040 G HA2 -0.255 3.705 3.960 0.001 0.000 0.254 1040 G HA3 -0.255 3.705 3.960 0.001 0.000 0.254 1040 G C 0.267 175.337 174.900 0.283 0.000 0.988 1040 G CA 0.203 45.438 45.100 0.226 0.000 0.625 1040 G HN 0.642 nan 8.290 nan 0.000 0.527 1041 R N -0.115 120.529 120.500 0.240 0.000 2.944 1041 R HA 0.660 5.001 4.340 0.001 0.000 0.233 1041 R C 0.280 176.584 176.300 0.007 0.000 1.346 1041 R CA -0.726 55.534 56.100 0.267 0.000 1.082 1041 R CB 0.369 30.748 30.300 0.132 0.000 1.434 1041 R HN 0.286 nan 8.270 nan 0.000 0.510 1042 Q N 1.529 121.132 119.800 -0.328 0.000 2.276 1042 Q HA -0.005 4.335 4.340 0.001 0.000 0.267 1042 Q C -0.680 175.134 176.000 -0.310 0.000 1.135 1042 Q CA 0.134 55.618 55.803 -0.532 0.000 0.910 1042 Q CB 0.726 29.099 28.738 -0.608 0.000 1.271 1042 Q HN 0.176 nan 8.270 nan 0.000 0.417 1043 Q N 2.778 122.389 119.800 -0.315 0.000 2.359 1043 Q HA 0.015 4.356 4.340 0.001 0.000 0.249 1043 Q C -0.003 175.889 176.000 -0.180 0.000 1.181 1043 Q CA 0.167 55.843 55.803 -0.211 0.000 0.897 1043 Q CB 0.315 28.873 28.738 -0.301 0.000 1.424 1043 Q HN 0.630 nan 8.270 nan 0.000 0.478 1044 L N 3.853 125.037 121.223 -0.065 0.000 2.341 1044 L HA 0.088 4.428 4.340 0.001 0.000 0.214 1044 L C -0.150 176.780 176.870 0.100 0.000 1.115 1044 L CA 0.658 55.491 54.840 -0.012 0.000 0.820 1044 L CB -0.169 41.932 42.059 0.069 0.000 0.944 1044 L HN 0.606 nan 8.230 nan 0.000 0.452 1045 Y N 0.655 120.959 120.300 0.008 0.000 2.328 1045 Y HA 0.441 4.991 4.550 0.001 0.000 0.337 1045 Y C -0.374 175.576 175.900 0.083 0.000 0.966 1045 Y CA -1.070 57.061 58.100 0.051 0.000 1.136 1045 Y CB 0.695 39.196 38.460 0.068 0.000 1.170 1045 Y HN -0.019 nan 8.280 nan 0.000 0.470 1046 Q N 5.434 125.017 119.800 -0.362 0.000 2.390 1046 Q HA 0.128 4.468 4.340 0.001 0.000 0.249 1046 Q C -0.052 175.717 176.000 -0.385 0.000 0.996 1046 Q CA -0.193 55.501 55.803 -0.181 0.000 0.899 1046 Q CB 1.086 29.781 28.738 -0.072 0.000 1.216 1046 Q HN 0.886 nan 8.270 nan 0.000 0.465 1047 D N 0.419 120.762 120.400 -0.095 0.000 2.363 1047 D HA -0.074 4.566 4.640 0.001 0.000 0.214 1047 D C 0.155 176.469 176.300 0.023 0.000 1.093 1047 D CA -0.330 53.660 54.000 -0.018 0.000 0.837 1047 D CB 0.022 40.992 40.800 0.283 0.000 0.948 1047 D HN 0.461 nan 8.370 nan 0.000 0.507 1048 H N 0.798 119.796 119.070 -0.120 0.000 2.790 1048 H HA 0.036 4.592 4.556 0.001 0.000 0.358 1048 H C 1.456 176.716 175.328 -0.114 0.000 1.103 1048 H CA 0.360 56.168 56.048 -0.400 0.000 1.426 1048 H CB 1.262 30.711 29.762 -0.522 0.000 1.424 1048 H HN -0.219 nan 8.280 nan 0.000 0.599 1049 Q N 3.145 122.579 119.800 -0.612 0.000 2.029 1049 Q HA -0.198 4.143 4.340 0.001 0.000 0.209 1049 Q C 1.403 177.576 176.000 0.289 0.000 0.999 1049 Q CA 2.576 58.321 55.803 -0.096 0.000 0.857 1049 Q CB -0.414 28.308 28.738 -0.026 0.000 0.926 1049 Q HN 0.833 nan 8.270 nan 0.000 0.415 1050 W N -0.635 120.789 121.300 0.207 0.000 2.342 1050 W HA -0.135 4.526 4.660 0.001 0.000 0.297 1050 W C 2.087 178.799 176.519 0.322 0.000 1.213 1050 W CA 0.926 58.518 57.345 0.411 0.000 1.251 1050 W CB -0.709 29.119 29.460 0.615 0.000 1.136 1050 W HN 0.261 nan 8.180 nan 0.000 0.526 1051 M N -0.314 119.561 119.600 0.459 0.000 2.117 1051 M HA -0.145 4.336 4.480 0.001 0.000 0.262 1051 M C 2.005 178.383 176.300 0.130 0.000 1.065 1051 M CA 1.551 56.987 55.300 0.228 0.000 1.114 1051 M CB -1.441 31.230 32.600 0.118 0.000 1.361 1051 M HN 0.064 nan 8.290 nan 0.000 0.408 1052 R N 0.134 120.687 120.500 0.088 0.000 2.062 1052 R HA -0.122 4.218 4.340 0.001 0.000 0.231 1052 R C 1.606 177.919 176.300 0.022 0.000 1.136 1052 R CA 1.281 57.399 56.100 0.030 0.000 0.948 1052 R CB -0.260 30.055 30.300 0.025 0.000 0.845 1052 R HN 0.364 nan 8.270 nan 0.000 0.430 1053 D N -0.383 120.002 120.400 -0.024 0.000 2.348 1053 D HA -0.098 4.542 4.640 0.001 0.000 0.216 1053 D C 0.665 176.695 176.300 -0.450 0.000 0.970 1053 D CA 0.955 54.820 54.000 -0.225 0.000 0.889 1053 D CB 0.094 40.711 40.800 -0.305 0.000 0.912 1053 D HN 0.132 nan 8.370 nan 0.000 0.524 1054 F N -0.114 119.752 119.950 -0.140 0.000 2.641 1054 F HA 0.277 4.804 4.527 0.001 0.000 0.302 1054 F C 1.649 177.415 175.800 -0.056 0.000 1.098 1054 F CA -0.180 57.725 58.000 -0.159 0.000 1.318 1054 F CB 0.402 39.282 39.000 -0.200 0.000 1.035 1054 F HN -0.074 nan 8.300 nan 0.000 0.551 1055 G N 0.994 109.884 108.800 0.150 0.000 2.198 1055 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 1055 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 1055 G C 0.461 175.465 174.900 0.174 0.000 1.025 1055 G CA 0.226 45.471 45.100 0.241 0.000 0.769 1055 G HN 0.500 nan 8.290 nan 0.000 0.507 1056 E N -0.185 120.068 120.200 0.089 0.000 2.995 1056 E HA 0.168 4.518 4.350 0.001 0.000 0.203 1056 E C 1.723 178.311 176.600 -0.020 0.000 0.980 1056 E CA 0.445 56.865 56.400 0.033 0.000 1.172 1056 E CB 0.307 30.007 29.700 0.001 0.000 1.088 1056 E HN 0.535 nan 8.360 nan 0.000 0.463 1057 S N 0.017 115.683 115.700 -0.057 0.000 2.428 1057 S HA 0.022 4.492 4.470 0.001 0.000 0.230 1057 S C 0.907 175.409 174.600 -0.164 0.000 1.014 1057 S CA 0.404 58.451 58.200 -0.255 0.000 0.957 1057 S CB 0.166 63.134 63.200 -0.387 0.000 0.784 1057 S HN 0.154 nan 8.310 nan 0.000 0.499 1058 L N 0.563 121.793 121.223 0.013 0.000 2.376 1058 L HA 0.530 4.871 4.340 0.001 0.000 0.258 1058 L C -0.840 176.062 176.870 0.053 0.000 1.013 1058 L CA -1.351 53.547 54.840 0.096 0.000 0.822 1058 L CB 1.907 44.096 42.059 0.218 0.000 1.388 1058 L HN 0.122 nan 8.230 nan 0.000 0.413 1059 L N 3.224 124.455 121.223 0.013 0.000 2.559 1059 L HA 0.352 4.693 4.340 0.001 0.000 0.274 1059 L C -0.474 176.331 176.870 -0.108 0.000 1.205 1059 L CA 0.434 55.229 54.840 -0.074 0.000 0.907 1059 L CB 0.546 42.531 42.059 -0.123 0.000 1.153 1059 L HN 0.367 nan 8.230 nan 0.000 0.490 1060 V N 2.932 122.801 119.914 -0.076 0.000 2.932 1060 V HA 0.393 4.513 4.120 0.001 0.000 0.307 1060 V C -0.763 175.331 176.094 0.001 0.000 1.147 1060 V CA -1.102 61.197 62.300 -0.001 0.000 0.951 1060 V CB 0.944 32.916 31.823 0.249 0.000 1.031 1060 V HN 0.741 nan 8.190 nan 0.000 0.426 1061 Y N 3.979 124.250 120.300 -0.048 0.000 2.511 1061 Y HA 0.607 5.157 4.550 0.001 0.000 0.332 1061 Y C 0.458 176.364 175.900 0.009 0.000 1.177 1061 Y CA -0.107 58.015 58.100 0.037 0.000 1.422 1061 Y CB 0.667 39.335 38.460 0.346 0.000 1.271 1061 Y HN 0.772 nan 8.280 nan 0.000 0.550 1062 R N 7.850 127.755 120.500 -0.992 0.000 2.500 1062 R HA 0.291 4.631 4.340 0.001 0.000 0.299 1062 R C -2.779 172.893 176.300 -1.046 0.000 1.038 1062 R CA -1.979 53.519 56.100 -1.003 0.000 0.903 1062 R CB 1.633 31.150 30.300 -1.305 0.000 1.177 1062 R HN 0.519 nan 8.270 nan 0.000 0.455 1063 P HA 0.103 nan 4.420 nan 0.000 0.270 1063 P C -2.488 174.660 177.300 -0.254 0.000 1.223 1063 P CA -1.257 61.541 63.100 -0.503 0.000 0.785 1063 P CB 0.040 31.607 31.700 -0.222 0.000 0.923 1064 P HA 0.030 nan 4.420 nan 0.000 0.265 1064 P C 0.160 177.436 177.300 -0.040 0.000 1.187 1064 P CA 0.381 63.408 63.100 -0.121 0.000 0.766 1064 P CB 0.065 31.599 31.700 -0.277 0.000 0.820 1065 I N -1.135 119.423 120.570 -0.020 0.000 2.823 1065 I HA 0.352 4.522 4.170 0.001 0.000 0.290 1065 I C 0.268 176.353 176.117 -0.052 0.000 1.091 1065 I CA -0.323 60.906 61.300 -0.118 0.000 1.365 1065 I CB 0.621 38.378 38.000 -0.405 0.000 1.427 1065 I HN 0.123 nan 8.210 nan 0.000 0.583 1066 D N 3.335 123.693 120.400 -0.070 0.000 2.359 1066 D HA 0.105 4.745 4.640 0.001 0.000 0.230 1066 D C 1.072 177.341 176.300 -0.051 0.000 1.118 1066 D CA -0.241 53.737 54.000 -0.037 0.000 0.844 1066 D CB 1.543 42.322 40.800 -0.035 0.000 1.059 1066 D HN 0.786 nan 8.370 nan 0.000 0.493 1067 T N 1.079 115.628 114.554 -0.008 0.000 3.055 1067 T HA -0.042 4.308 4.350 0.001 0.000 0.265 1067 T C 1.015 175.729 174.700 0.023 0.000 1.111 1067 T CA 0.036 62.135 62.100 -0.001 0.000 1.118 1067 T CB -0.135 68.762 68.868 0.049 0.000 0.909 1067 T HN 0.663 nan 8.240 nan 0.000 0.501 1068 R N 0.688 121.202 120.500 0.024 0.000 3.525 1068 R HA -0.142 4.198 4.340 0.001 0.000 0.276 1068 R C 0.935 177.273 176.300 0.063 0.000 1.116 1068 R CA 0.703 56.823 56.100 0.032 0.000 0.745 1068 R CB -2.756 27.557 30.300 0.021 0.000 1.185 1068 R HN 0.744 nan 8.270 nan 0.000 0.454 1069 S N -2.330 113.417 115.700 0.079 0.000 2.577 1069 S HA 0.213 4.684 4.470 0.001 0.000 0.219 1069 S C 1.228 175.878 174.600 0.083 0.000 0.962 1069 S CA 0.104 58.362 58.200 0.096 0.000 0.921 1069 S CB 0.974 64.237 63.200 0.106 0.000 0.789 1069 S HN 0.145 nan 8.310 nan 0.000 0.497 1070 V N 1.979 121.936 119.914 0.071 0.000 3.013 1070 V HA 0.086 4.207 4.120 0.001 0.000 0.238 1070 V C 2.414 178.543 176.094 0.057 0.000 1.161 1070 V CA 1.048 63.380 62.300 0.053 0.000 1.170 1070 V CB -0.071 31.789 31.823 0.062 0.000 0.917 1070 V HN 0.595 nan 8.190 nan 0.000 0.478 1071 K N 0.647 121.081 120.400 0.057 0.000 2.152 1071 K HA -0.188 4.132 4.320 0.001 0.000 0.206 1071 K C 1.500 178.137 176.600 0.061 0.000 1.048 1071 K CA 1.860 58.178 56.287 0.053 0.000 0.933 1071 K CB -0.238 32.286 32.500 0.039 0.000 0.721 1071 K HN 0.303 nan 8.250 nan 0.000 0.447 1072 E N 0.916 121.158 120.200 0.071 0.000 2.482 1072 E HA -0.051 4.300 4.350 0.001 0.000 0.196 1072 E C 1.776 178.432 176.600 0.094 0.000 1.047 1072 E CA 1.083 57.529 56.400 0.077 0.000 0.869 1072 E CB 0.736 30.485 29.700 0.083 0.000 0.836 1072 E HN 0.533 nan 8.360 nan 0.000 0.520 1073 V N -2.642 117.340 119.914 0.112 0.000 3.480 1073 V HA 0.300 4.420 4.120 0.001 0.000 0.263 1073 V C 0.958 177.172 176.094 0.199 0.000 1.442 1073 V CA -0.443 61.953 62.300 0.159 0.000 1.053 1073 V CB 0.024 31.977 31.823 0.216 0.000 0.846 1073 V HN 0.029 nan 8.190 nan 0.000 0.440 1074 I N 3.418 124.071 120.570 0.139 0.000 2.662 1074 I HA 0.454 4.625 4.170 0.001 0.000 0.285 1074 I C 1.415 177.613 176.117 0.134 0.000 1.161 1074 I CA 1.779 63.159 61.300 0.133 0.000 1.415 1074 I CB 0.362 38.397 38.000 0.059 0.000 1.385 1074 I HN 0.642 nan 8.210 nan 0.000 0.552 1075 G N 5.300 114.201 108.800 0.169 0.000 2.179 1075 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 1075 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 1075 G C 0.799 175.751 174.900 0.088 0.000 0.977 1075 G CA 0.292 45.461 45.100 0.115 0.000 0.641 1075 G HN 0.614 nan 8.290 nan 0.000 0.533 1076 Q N -0.235 119.623 119.800 0.098 0.000 2.311 1076 Q HA 0.104 4.445 4.340 0.001 0.000 0.203 1076 Q C 1.274 177.286 176.000 0.021 0.000 0.954 1076 Q CA 1.081 56.918 55.803 0.058 0.000 0.885 1076 Q CB 0.177 28.954 28.738 0.066 0.000 0.963 1076 Q HN 0.659 nan 8.270 nan 0.000 0.471 1077 K N 0.584 120.986 120.400 0.003 0.000 3.253 1077 K HA 0.220 4.540 4.320 0.001 0.000 0.174 1077 K C -0.537 176.029 176.600 -0.056 0.000 1.071 1077 K CA -0.149 56.105 56.287 -0.056 0.000 0.836 1077 K CB 1.270 33.690 32.500 -0.133 0.000 0.922 1077 K HN -0.126 nan 8.250 nan 0.000 0.565 1078 S N 1.926 117.622 115.700 -0.006 0.000 2.558 1078 S HA -0.017 4.454 4.470 0.001 0.000 0.288 1078 S C 0.970 175.561 174.600 -0.015 0.000 1.318 1078 S CA 0.002 58.207 58.200 0.009 0.000 1.056 1078 S CB 0.303 63.518 63.200 0.025 0.000 0.853 1078 S HN 0.647 nan 8.310 nan 0.000 0.505 1079 N N 2.735 121.431 118.700 -0.007 0.000 2.200 1079 N HA 0.213 4.954 4.740 0.001 0.000 0.224 1079 N C 0.957 176.468 175.510 0.002 0.000 1.179 1079 N CA 0.521 53.561 53.050 -0.017 0.000 0.877 1079 N CB 0.061 38.531 38.487 -0.029 0.000 1.072 1079 N HN 0.948 nan 8.380 nan 0.000 0.519 1080 G N -0.088 108.720 108.800 0.014 0.000 2.195 1080 G HA2 -0.256 3.704 3.960 0.001 0.000 0.246 1080 G HA3 -0.256 3.704 3.960 0.001 0.000 0.246 1080 G C -0.398 174.520 174.900 0.030 0.000 0.984 1080 G CA -0.146 44.966 45.100 0.019 0.000 0.633 1080 G HN 0.457 nan 8.290 nan 0.000 0.525 1081 N N 0.392 119.115 118.700 0.039 0.000 2.466 1081 N HA 0.513 5.254 4.740 0.001 0.000 0.294 1081 N C 0.115 175.661 175.510 0.061 0.000 1.129 1081 N CA -0.550 52.529 53.050 0.048 0.000 0.931 1081 N CB 1.353 39.871 38.487 0.053 0.000 1.193 1081 N HN 0.344 nan 8.380 nan 0.000 0.500 1082 Q N 1.031 120.864 119.800 0.056 0.000 2.315 1082 Q HA -0.000 4.340 4.340 0.001 0.000 0.289 1082 Q C -0.739 175.304 176.000 0.071 0.000 1.044 1082 Q CA 0.909 56.746 55.803 0.058 0.000 0.920 1082 Q CB 0.359 29.126 28.738 0.049 0.000 1.214 1082 Q HN 0.399 nan 8.270 nan 0.000 0.392 1083 E N 2.959 123.203 120.200 0.073 0.000 2.263 1083 E HA 0.558 4.909 4.350 0.001 0.000 0.264 1083 E C -1.042 175.586 176.600 0.046 0.000 0.923 1083 E CA -1.035 55.409 56.400 0.073 0.000 0.802 1083 E CB 2.033 31.794 29.700 0.103 0.000 1.228 1083 E HN 0.470 nan 8.360 nan 0.000 0.417 1084 K N 0.594 121.006 120.400 0.021 0.000 2.557 1084 K HA 0.509 4.829 4.320 0.001 0.000 0.257 1084 K C -1.857 174.747 176.600 0.006 0.000 0.933 1084 K CA -0.594 55.710 56.287 0.028 0.000 0.820 1084 K CB 1.916 34.440 32.500 0.040 0.000 1.330 1084 K HN 0.592 nan 8.250 nan 0.000 0.432 1085 A N 4.813 127.663 122.820 0.051 0.000 2.328 1085 A HA 0.625 4.946 4.320 0.001 0.000 0.284 1085 A C -0.857 176.771 177.584 0.073 0.000 1.160 1085 A CA -0.387 51.699 52.037 0.080 0.000 0.818 1085 A CB 0.058 19.163 19.000 0.174 0.000 1.087 1085 A HN 0.618 nan 8.150 nan 0.000 0.504 1086 L N 1.794 123.003 121.223 -0.024 0.000 2.393 1086 L HA 0.386 4.727 4.340 0.001 0.000 0.260 1086 L C 0.257 176.728 176.870 -0.666 0.000 1.002 1086 L CA -0.713 54.001 54.840 -0.209 0.000 0.818 1086 L CB 2.196 44.197 42.059 -0.097 0.000 1.369 1086 L HN 0.873 nan 8.230 nan 0.000 0.412 1087 N N 0.915 119.013 118.700 -1.004 0.000 2.475 1087 N HA 0.122 4.862 4.740 0.001 0.000 0.267 1087 N C -1.301 173.985 175.510 -0.373 0.000 1.169 1087 N CA -0.320 52.020 53.050 -1.183 0.000 0.947 1087 N CB 0.573 38.663 38.487 -0.662 0.000 1.061 1087 N HN 0.342 nan 8.380 nan 0.000 0.466 1088 F N 6.328 126.034 119.950 -0.407 0.000 2.335 1088 F HA 0.363 4.891 4.527 0.002 0.000 0.365 1088 F C -0.829 174.863 175.800 -0.179 0.000 1.122 1088 F CA -0.705 57.169 58.000 -0.210 0.000 1.151 1088 F CB 0.229 39.148 39.000 -0.136 0.000 1.282 1088 F HN 0.304 nan 8.300 nan 0.000 0.513 1089 L N 4.731 125.655 121.223 -0.497 0.000 2.322 1089 L HA 0.467 4.807 4.340 0.001 0.000 0.279 1089 L C 0.320 176.818 176.870 -0.621 0.000 1.036 1089 L CA -0.677 53.878 54.840 -0.475 0.000 0.807 1089 L CB 1.871 43.757 42.059 -0.288 0.000 1.226 1089 L HN 0.570 nan 8.230 nan 0.000 0.433 1090 T N -1.072 113.225 114.554 -0.429 0.000 3.514 1090 T HA 0.327 4.678 4.350 0.001 0.000 0.259 1090 T C -2.329 172.305 174.700 -0.110 0.000 1.466 1090 T CA -1.609 60.322 62.100 -0.282 0.000 1.562 1090 T CB 0.117 68.948 68.868 -0.062 0.000 0.924 1090 T HN 0.261 nan 8.240 nan 0.000 0.678 1091 P HA 0.100 nan 4.420 nan 0.000 0.270 1091 P C -0.250 177.182 177.300 0.219 0.000 1.223 1091 P CA -0.245 62.801 63.100 -0.089 0.000 0.785 1091 P CB 0.585 32.145 31.700 -0.233 0.000 0.923 1092 H N 0.106 119.220 119.070 0.074 0.000 2.803 1092 H HA 0.064 4.620 4.556 0.001 0.000 0.330 1092 H C 0.930 176.372 175.328 0.190 0.000 1.057 1092 H CA -0.568 55.572 56.048 0.153 0.000 1.458 1092 H CB 0.689 30.483 29.762 0.053 0.000 1.470 1092 H HN 0.465 nan 8.280 nan 0.000 0.560 1093 Q N 2.745 122.679 119.800 0.223 0.000 2.454 1093 Q HA 0.016 4.357 4.340 0.001 0.000 0.247 1093 Q C 0.691 176.542 176.000 -0.249 0.000 1.028 1093 Q CA -0.387 55.413 55.803 -0.006 0.000 0.910 1093 Q CB 1.121 29.884 28.738 0.041 0.000 1.276 1093 Q HN 0.645 nan 8.270 nan 0.000 0.489 1094 K N 1.240 121.301 120.400 -0.564 0.000 2.314 1094 K HA 0.023 4.344 4.320 0.001 0.000 0.198 1094 K C -0.236 175.728 176.600 -1.061 0.000 1.045 1094 K CA 0.233 55.975 56.287 -0.908 0.000 0.988 1094 K CB 0.333 32.065 32.500 -1.281 0.000 0.783 1094 K HN 0.767 nan 8.250 nan 0.000 0.484 1095 W N 0.895 122.159 121.300 -0.060 0.000 2.410 1095 W HA 0.415 5.075 4.660 0.001 0.000 0.400 1095 W C 0.064 176.585 176.519 0.003 0.000 0.777 1095 W CA -0.691 56.630 57.345 -0.040 0.000 2.632 1095 W CB 1.066 30.504 29.460 -0.036 0.000 1.504 1095 W HN 0.086 nan 8.180 nan 0.000 0.757 1096 G N 0.397 109.248 108.800 0.086 0.000 2.328 1096 G HA2 0.302 4.262 3.960 0.001 0.000 0.299 1096 G HA3 0.302 4.262 3.960 0.001 0.000 0.299 1096 G C -1.901 173.078 174.900 0.131 0.000 1.435 1096 G CA -1.045 44.174 45.100 0.199 0.000 0.865 1096 G HN -0.115 nan 8.290 nan 0.000 0.601 1097 I N 2.802 123.543 120.570 0.285 0.000 2.371 1097 I HA 0.425 4.595 4.170 0.001 0.000 0.282 1097 I C 0.935 177.086 176.117 0.057 0.000 1.031 1097 I CA -0.009 61.360 61.300 0.115 0.000 1.180 1097 I CB -0.417 37.768 38.000 0.309 0.000 1.336 1097 I HN 0.793 nan 8.210 nan 0.000 0.467 1098 H N 3.484 122.556 119.070 0.004 0.000 1.452 1098 H HA -0.250 4.306 4.556 0.001 0.000 0.090 1098 H C 1.499 176.717 175.328 -0.184 0.000 0.629 1098 H CA 1.403 57.327 56.048 -0.207 0.000 1.901 1098 H CB -1.104 28.639 29.762 -0.032 0.000 2.257 1098 H HN 0.548 nan 8.280 nan 0.000 0.961 1099 S N 0.745 116.474 115.700 0.049 0.000 2.524 1099 S HA 0.104 4.574 4.470 0.001 0.000 0.216 1099 S C 0.623 175.299 174.600 0.126 0.000 0.987 1099 S CA 0.724 58.945 58.200 0.035 0.000 0.909 1099 S CB 0.151 63.364 63.200 0.020 0.000 0.781 1099 S HN 0.496 nan 8.310 nan 0.000 0.521 1100 T N 2.575 117.230 114.554 0.168 0.000 2.928 1100 T HA 0.238 4.589 4.350 0.001 0.000 0.305 1100 T C -0.190 174.690 174.700 0.300 0.000 1.035 1100 T CA 0.523 62.705 62.100 0.137 0.000 1.145 1100 T CB -0.178 68.747 68.868 0.094 0.000 0.963 1100 T HN 0.470 nan 8.240 nan 0.000 0.545 1101 Y N -0.144 120.420 120.300 0.441 0.000 4.894 1101 Y HA -0.319 4.232 4.550 0.001 0.000 0.270 1101 Y C 2.234 178.234 175.900 0.166 0.000 0.930 1101 Y CA 0.871 59.175 58.100 0.341 0.000 1.814 1101 Y CB -2.605 36.009 38.460 0.257 0.000 1.235 1101 Y HN 0.775 nan 8.280 nan 0.000 0.480 1102 S N 0.546 116.420 115.700 0.290 0.000 2.382 1102 S HA -0.177 4.294 4.470 0.001 0.000 0.228 1102 S C 1.518 176.185 174.600 0.113 0.000 1.027 1102 S CA 1.511 59.815 58.200 0.174 0.000 0.991 1102 S CB -0.272 63.002 63.200 0.124 0.000 0.823 1102 S HN 0.657 nan 8.310 nan 0.000 0.469 1103 D N 0.783 121.268 120.400 0.142 0.000 2.340 1103 D HA 0.008 4.648 4.640 0.001 0.000 0.220 1103 D C 0.329 176.555 176.300 -0.124 0.000 1.039 1103 D CA -0.203 53.849 54.000 0.086 0.000 0.866 1103 D CB -0.874 40.046 40.800 0.200 0.000 0.913 1103 D HN 0.356 nan 8.370 nan 0.000 0.523 1104 N N 1.468 120.011 118.700 -0.262 0.000 2.452 1104 N HA -0.067 4.673 4.740 0.001 0.000 0.266 1104 N C 1.123 176.082 175.510 -0.919 0.000 1.209 1104 N CA -0.283 52.233 53.050 -0.890 0.000 0.929 1104 N CB 1.101 39.280 38.487 -0.513 0.000 1.063 1104 N HN 0.011 nan 8.380 nan 0.000 0.472 1105 L N 5.441 125.767 121.223 -1.496 0.000 2.081 1105 L HA -0.153 4.188 4.340 0.001 0.000 0.212 1105 L C 1.963 178.512 176.870 -0.535 0.000 1.080 1105 L CA 1.619 55.978 54.840 -0.800 0.000 0.754 1105 L CB -0.391 41.304 42.059 -0.607 0.000 0.893 1105 L HN 0.677 nan 8.230 nan 0.000 0.433 1106 L N -1.966 118.905 121.223 -0.586 0.000 2.046 1106 L HA -0.232 4.108 4.340 0.001 0.000 0.208 1106 L C 2.468 179.196 176.870 -0.236 0.000 1.077 1106 L CA 1.112 55.768 54.840 -0.307 0.000 0.747 1106 L CB -0.551 41.378 42.059 -0.217 0.000 0.896 1106 L HN 0.261 nan 8.230 nan 0.000 0.432 1107 M N -0.677 118.799 119.600 -0.208 0.000 2.132 1107 M HA -0.155 4.325 4.480 0.001 0.000 0.263 1107 M C 2.375 178.566 176.300 -0.183 0.000 1.065 1107 M CA 1.736 56.998 55.300 -0.063 0.000 1.122 1107 M CB -0.947 31.696 32.600 0.072 0.000 1.365 1107 M HN 0.236 nan 8.290 nan 0.000 0.411 1108 L N -0.667 120.431 121.223 -0.208 0.000 2.141 1108 L HA -0.174 4.166 4.340 0.001 0.000 0.209 1108 L C 2.328 179.040 176.870 -0.265 0.000 1.094 1108 L CA 1.109 55.829 54.840 -0.201 0.000 0.763 1108 L CB -0.860 41.104 42.059 -0.158 0.000 0.908 1108 L HN 0.294 nan 8.230 nan 0.000 0.437 1109 T N -0.230 114.160 114.554 -0.273 0.000 2.904 1109 T HA -0.039 4.311 4.350 0.001 0.000 0.267 1109 T C 1.849 176.336 174.700 -0.355 0.000 1.059 1109 T CA 0.903 62.849 62.100 -0.257 0.000 1.137 1109 T CB -0.023 68.727 68.868 -0.196 0.000 0.879 1109 T HN 0.201 nan 8.240 nan 0.000 0.467 1110 L N 0.281 121.201 121.223 -0.504 0.000 2.418 1110 L HA 0.238 4.578 4.340 0.001 0.000 0.218 1110 L C 1.950 178.014 176.870 -1.344 0.000 1.125 1110 L CA 0.028 54.402 54.840 -0.776 0.000 0.835 1110 L CB -0.462 41.148 42.059 -0.748 0.000 0.953 1110 L HN 0.268 nan 8.230 nan 0.000 0.454 1111 G N -0.720 107.332 108.800 -1.247 0.000 2.975 1111 G HA2 0.131 4.092 3.960 0.001 0.000 0.159 1111 G HA3 0.131 4.092 3.960 0.001 0.000 0.159 1111 G C 0.609 175.214 174.900 -0.491 0.000 1.525 1111 G CA -0.387 43.996 45.100 -1.195 0.000 1.075 1111 G HN 0.000 nan 8.290 nan 0.000 0.574 1112 R N 0.078 120.421 120.500 -0.262 0.000 2.586 1112 R HA 0.235 4.576 4.340 0.001 0.000 0.336 1112 R C 1.136 177.351 176.300 -0.141 0.000 1.060 1112 R CA 0.379 56.372 56.100 -0.178 0.000 1.079 1112 R CB 0.370 30.588 30.300 -0.136 0.000 1.317 1112 R HN 0.941 nan 8.270 nan 0.000 0.568 1113 G N 0.713 109.424 108.800 -0.148 0.000 2.198 1113 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 1113 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 1113 G C 0.346 175.232 174.900 -0.024 0.000 1.025 1113 G CA 0.421 45.465 45.100 -0.094 0.000 0.769 1113 G HN 0.771 nan 8.290 nan 0.000 0.507 1114 G N -2.007 106.792 108.800 -0.001 0.000 2.369 1114 G HA2 0.466 4.426 3.960 0.001 0.000 0.307 1114 G HA3 0.466 4.426 3.960 0.001 0.000 0.307 1114 G C -3.018 171.931 174.900 0.082 0.000 1.327 1114 G CA -0.158 44.981 45.100 0.066 0.000 0.963 1114 G HN 0.520 nan 8.290 nan 0.000 0.590 1115 P HA 0.311 nan 4.420 nan 0.000 0.255 1115 P C 0.244 177.615 177.300 0.117 0.000 1.161 1115 P CA 0.528 63.712 63.100 0.140 0.000 0.768 1115 P CB 0.521 32.327 31.700 0.176 0.000 0.746 1116 V N 1.883 121.871 119.914 0.124 0.000 3.130 1116 V HA 0.769 4.889 4.120 0.001 0.000 0.310 1116 V C -0.769 175.431 176.094 0.177 0.000 1.158 1116 V CA -0.998 61.352 62.300 0.083 0.000 1.029 1116 V CB 2.595 34.415 31.823 -0.005 0.000 1.057 1116 V HN 0.091 nan 8.190 nan 0.000 0.436 1117 V N 0.879 120.874 119.914 0.135 0.000 2.709 1117 V HA 0.499 4.619 4.120 0.001 0.000 0.308 1117 V C -1.259 174.946 176.094 0.185 0.000 1.062 1117 V CA -0.383 62.058 62.300 0.236 0.000 0.901 1117 V CB 1.967 33.926 31.823 0.228 0.000 1.003 1117 V HN 0.973 nan 8.190 nan 0.000 0.425 1118 W N 4.734 126.098 121.300 0.108 0.000 2.315 1118 W HA 0.764 5.425 4.660 0.001 0.000 0.316 1118 W C -0.302 176.257 176.519 0.067 0.000 1.211 1118 W CA -0.316 57.089 57.345 0.100 0.000 1.201 1118 W CB 0.818 30.366 29.460 0.147 0.000 1.184 1118 W HN 0.311 nan 8.180 nan 0.000 0.544 1119 L N 2.857 124.216 121.223 0.227 0.000 2.371 1119 L HA 0.485 4.825 4.340 0.001 0.000 0.262 1119 L C 0.414 177.374 176.870 0.149 0.000 1.006 1119 L CA -1.246 53.686 54.840 0.154 0.000 0.818 1119 L CB 1.954 44.067 42.059 0.090 0.000 1.354 1119 L HN 0.442 nan 8.230 nan 0.000 0.415 1120 S N -0.562 115.213 115.700 0.124 0.000 2.593 1120 S HA 0.173 4.643 4.470 0.001 0.000 0.269 1120 S C 0.642 175.291 174.600 0.083 0.000 1.334 1120 S CA -0.541 57.727 58.200 0.114 0.000 1.015 1120 S CB 1.183 64.442 63.200 0.098 0.000 0.912 1120 S HN 0.722 nan 8.310 nan 0.000 0.541 1121 E N 0.997 121.242 120.200 0.075 0.000 2.150 1121 E HA -0.100 4.250 4.350 0.001 0.000 0.193 1121 E C 2.264 178.891 176.600 0.046 0.000 0.985 1121 E CA 1.060 57.491 56.400 0.052 0.000 0.814 1121 E CB -0.389 29.340 29.700 0.047 0.000 0.752 1121 E HN 0.792 nan 8.360 nan 0.000 0.466 1122 A N 2.023 124.875 122.820 0.052 0.000 1.841 1122 A HA -0.217 4.104 4.320 0.001 0.000 0.214 1122 A C 1.815 179.426 177.584 0.045 0.000 1.195 1122 A CA 1.678 53.742 52.037 0.046 0.000 0.611 1122 A CB -0.406 18.623 19.000 0.048 0.000 0.835 1122 A HN 0.091 nan 8.150 nan 0.000 0.443 1123 D N 0.174 120.603 120.400 0.050 0.000 2.144 1123 D HA -0.082 4.558 4.640 0.001 0.000 0.199 1123 D C 2.226 178.553 176.300 0.044 0.000 0.984 1123 D CA 1.441 55.470 54.000 0.047 0.000 0.834 1123 D CB -0.399 40.431 40.800 0.050 0.000 0.955 1123 D HN 0.433 nan 8.370 nan 0.000 0.465 1124 A N 1.455 124.301 122.820 0.044 0.000 1.858 1124 A HA -0.234 4.086 4.320 0.001 0.000 0.216 1124 A C 2.129 179.732 177.584 0.031 0.000 1.190 1124 A CA 1.955 54.013 52.037 0.035 0.000 0.617 1124 A CB -0.579 18.438 19.000 0.028 0.000 0.827 1124 A HN 0.169 nan 8.150 nan 0.000 0.443 1125 K N -0.561 119.857 120.400 0.030 0.000 2.074 1125 K HA -0.227 4.093 4.320 0.001 0.000 0.209 1125 K C 1.394 178.012 176.600 0.030 0.000 1.048 1125 K CA 1.855 58.158 56.287 0.027 0.000 0.926 1125 K CB -0.266 32.250 32.500 0.027 0.000 0.713 1125 K HN 0.449 nan 8.250 nan 0.000 0.444 1126 D N 0.465 120.885 120.400 0.033 0.000 2.178 1126 D HA -0.126 4.514 4.640 0.001 0.000 0.201 1126 D C 1.688 178.010 176.300 0.037 0.000 0.980 1126 D CA 1.032 55.053 54.000 0.035 0.000 0.842 1126 D CB 0.140 40.963 40.800 0.038 0.000 0.948 1126 D HN 0.307 nan 8.370 nan 0.000 0.472 1127 L N -0.609 120.637 121.223 0.038 0.000 2.585 1127 L HA 0.189 4.530 4.340 0.001 0.000 0.226 1127 L C 1.285 178.179 176.870 0.039 0.000 1.113 1127 L CA 0.184 55.049 54.840 0.042 0.000 0.876 1127 L CB 0.210 42.297 42.059 0.047 0.000 1.072 1127 L HN 0.010 nan 8.230 nan 0.000 0.468 1128 G N 1.515 110.335 108.800 0.033 0.000 2.221 1128 G HA2 -0.284 3.677 3.960 0.001 0.000 0.265 1128 G HA3 -0.284 3.677 3.960 0.001 0.000 0.265 1128 G C 0.059 174.976 174.900 0.028 0.000 1.041 1128 G CA -0.030 45.088 45.100 0.029 0.000 0.807 1128 G HN 0.304 nan 8.290 nan 0.000 0.502 1129 I N 0.761 121.346 120.570 0.026 0.000 2.353 1129 I HA 0.611 4.781 4.170 0.001 0.000 0.293 1129 I C 0.746 176.865 176.117 0.003 0.000 0.992 1129 I CA -0.385 60.927 61.300 0.020 0.000 1.268 1129 I CB 1.661 39.676 38.000 0.025 0.000 1.387 1129 I HN 0.306 nan 8.210 nan 0.000 0.478 1130 A N 4.352 127.166 122.820 -0.009 0.000 2.299 1130 A HA 0.396 4.716 4.320 0.001 0.000 0.332 1130 A C -0.623 176.928 177.584 -0.056 0.000 1.131 1130 A CA -0.612 51.410 52.037 -0.025 0.000 0.844 1130 A CB 0.887 19.875 19.000 -0.021 0.000 1.251 1130 A HN 0.678 nan 8.150 nan 0.000 0.486 1131 D N 0.247 120.605 120.400 -0.071 0.000 2.533 1131 D HA 0.067 4.707 4.640 0.001 0.000 0.236 1131 D C 0.726 176.943 176.300 -0.138 0.000 1.137 1131 D CA 1.767 55.698 54.000 -0.114 0.000 0.867 1131 D CB 0.031 40.763 40.800 -0.113 0.000 1.170 1131 D HN 0.657 nan 8.370 nan 0.000 0.474 1132 N N 1.608 120.196 118.700 -0.187 0.000 2.850 1132 N HA -0.198 4.543 4.740 0.001 0.000 0.249 1132 N C -1.272 174.065 175.510 -0.288 0.000 1.060 1132 N CA 0.775 53.675 53.050 -0.249 0.000 0.825 1132 N CB -0.779 37.571 38.487 -0.228 0.000 1.132 1132 N HN 0.407 nan 8.380 nan 0.000 0.564 1133 D N -0.407 119.880 120.400 -0.188 0.000 2.341 1133 D HA 0.224 4.864 4.640 0.001 0.000 0.245 1133 D C 0.128 176.351 176.300 -0.129 0.000 1.106 1133 D CA 0.016 53.941 54.000 -0.125 0.000 0.905 1133 D CB 0.224 41.010 40.800 -0.022 0.000 1.202 1133 D HN 0.165 nan 8.370 nan 0.000 0.426 1134 W N 2.617 123.920 121.300 0.004 0.000 2.303 1134 W HA 0.285 4.946 4.660 0.001 0.000 0.318 1134 W C 0.645 177.164 176.519 0.000 0.000 1.362 1134 W CA -0.489 56.854 57.345 -0.004 0.000 1.234 1134 W CB 0.176 29.618 29.460 -0.029 0.000 1.248 1134 W HN 0.189 nan 8.180 nan 0.000 0.546 1135 I N -0.339 120.387 120.570 0.259 0.000 3.108 1135 I HA 0.723 4.893 4.170 0.001 0.000 0.312 1135 I C -1.021 175.201 176.117 0.175 0.000 1.095 1135 I CA -1.438 59.967 61.300 0.175 0.000 1.000 1135 I CB 2.436 40.511 38.000 0.125 0.000 1.229 1135 I HN 0.325 nan 8.210 nan 0.000 0.454 1136 E N 2.076 122.373 120.200 0.161 0.000 2.272 1136 E HA 0.688 5.038 4.350 0.001 0.000 0.269 1136 E C -1.982 174.761 176.600 0.238 0.000 0.877 1136 E CA -0.715 55.791 56.400 0.178 0.000 0.755 1136 E CB 2.464 32.246 29.700 0.138 0.000 1.192 1136 E HN 0.577 nan 8.360 nan 0.000 0.422 1137 V N 5.588 125.626 119.914 0.206 0.000 2.588 1137 V HA 0.692 4.812 4.120 0.001 0.000 0.304 1137 V C -0.835 175.341 176.094 0.136 0.000 1.042 1137 V CA -0.556 61.787 62.300 0.072 0.000 0.877 1137 V CB 0.735 32.520 31.823 -0.064 0.000 0.996 1137 V HN 0.664 nan 8.190 nan 0.000 0.425 1138 F N 2.888 122.775 119.950 -0.104 0.000 2.741 1138 F HA 0.925 5.453 4.527 0.001 0.000 0.313 1138 F C -0.857 174.908 175.800 -0.059 0.000 1.153 1138 F CA -0.814 57.135 58.000 -0.085 0.000 0.931 1138 F CB 1.834 40.806 39.000 -0.046 0.000 1.335 1138 F HN 0.574 nan 8.300 nan 0.000 0.460 1139 N N -1.763 117.000 118.700 0.105 0.000 3.387 1139 N HA 0.219 4.959 4.740 0.001 0.000 0.294 1139 N C -0.172 175.429 175.510 0.152 0.000 1.519 1139 N CA -0.321 52.766 53.050 0.061 0.000 0.875 1139 N CB 0.426 38.908 38.487 -0.009 0.000 1.657 1139 N HN 0.697 nan 8.380 nan 0.000 0.527 1140 S N -1.105 114.677 115.700 0.137 0.000 2.493 1140 S HA -0.128 4.342 4.470 0.001 0.000 0.243 1140 S C 0.689 175.370 174.600 0.135 0.000 0.991 1140 S CA 1.309 59.600 58.200 0.151 0.000 0.957 1140 S CB -1.022 62.281 63.200 0.171 0.000 0.756 1140 S HN 0.605 nan 8.310 nan 0.000 0.521 1141 N N 0.969 119.750 118.700 0.135 0.000 2.395 1141 N HA 0.424 5.164 4.740 0.001 0.000 0.175 1141 N C 0.794 176.298 175.510 -0.009 0.000 1.029 1141 N CA 0.416 53.546 53.050 0.133 0.000 0.897 1141 N CB 0.376 39.012 38.487 0.248 0.000 0.991 1141 N HN 0.580 nan 8.380 nan 0.000 0.441 1142 G N -0.625 108.198 108.800 0.038 0.000 2.333 1142 G HA2 0.531 4.492 3.960 0.001 0.000 0.288 1142 G HA3 0.531 4.492 3.960 0.001 0.000 0.288 1142 G C -2.111 172.837 174.900 0.080 0.000 1.286 1142 G CA -0.225 44.890 45.100 0.025 0.000 0.865 1142 G HN 0.239 nan 8.290 nan 0.000 0.506 1143 A N -1.084 121.774 122.820 0.064 0.000 2.556 1143 A HA 1.038 5.358 4.320 0.001 0.000 0.294 1143 A C -1.175 176.447 177.584 0.063 0.000 1.091 1143 A CA -0.011 52.082 52.037 0.093 0.000 0.704 1143 A CB 1.793 20.826 19.000 0.056 0.000 1.300 1143 A HN 2.396 nan 8.150 nan 0.000 0.406 1144 L N -1.424 119.844 121.223 0.074 0.000 2.424 1144 L HA 0.965 5.306 4.340 0.001 0.000 0.258 1144 L C -0.268 176.657 176.870 0.092 0.000 0.995 1144 L CA -0.322 54.565 54.840 0.079 0.000 0.821 1144 L CB 1.753 43.872 42.059 0.100 0.000 1.383 1144 L HN 0.871 nan 8.230 nan 0.000 0.410 1145 T N -0.563 114.046 114.554 0.092 0.000 2.912 1145 T HA 1.032 5.383 4.350 0.001 0.000 0.288 1145 T C -0.190 174.638 174.700 0.214 0.000 1.030 1145 T CA -0.053 62.117 62.100 0.116 0.000 1.020 1145 T CB 1.726 70.595 68.868 0.001 0.000 1.056 1145 T HN 1.789 nan 8.240 nan 0.000 0.480 1146 A N 1.564 124.570 122.820 0.310 0.000 2.483 1146 A HA 0.754 5.075 4.320 0.001 0.000 0.294 1146 A C -1.393 176.328 177.584 0.229 0.000 1.077 1146 A CA -1.252 50.970 52.037 0.308 0.000 0.633 1146 A CB 0.883 20.005 19.000 0.204 0.000 1.318 1146 A HN 0.850 nan 8.150 nan 0.000 0.455 1147 R N -0.186 120.296 120.500 -0.030 0.000 2.604 1147 R HA 0.710 5.051 4.340 0.001 0.000 0.287 1147 R C 0.135 176.351 176.300 -0.140 0.000 0.970 1147 R CA 0.140 56.088 56.100 -0.254 0.000 0.946 1147 R CB 1.921 31.875 30.300 -0.576 0.000 1.127 1147 R HN 1.128 nan 8.270 nan 0.000 0.473 1148 A N 1.830 124.566 122.820 -0.140 0.000 2.322 1148 A HA 0.469 4.789 4.320 0.001 0.000 0.269 1148 A C -0.548 176.903 177.584 -0.222 0.000 1.094 1148 A CA -0.438 51.528 52.037 -0.118 0.000 0.807 1148 A CB 0.817 19.778 19.000 -0.065 0.000 1.047 1148 A HN 0.436 nan 8.150 nan 0.000 0.487 1149 V N 3.185 122.919 119.914 -0.300 0.000 2.349 1149 V HA 0.270 4.390 4.120 0.001 0.000 0.284 1149 V C -0.388 175.493 176.094 -0.356 0.000 1.014 1149 V CA -0.456 61.522 62.300 -0.537 0.000 0.826 1149 V CB 1.282 32.361 31.823 -1.240 0.000 1.009 1149 V HN 0.630 nan 8.190 nan 0.000 0.431 1150 V N 4.212 123.994 119.914 -0.221 0.000 2.432 1150 V HA 0.648 4.768 4.120 0.001 0.000 0.275 1150 V C 0.309 176.379 176.094 -0.040 0.000 1.043 1150 V CA 0.201 62.453 62.300 -0.080 0.000 0.925 1150 V CB 1.524 33.317 31.823 -0.050 0.000 0.985 1150 V HN 0.859 nan 8.190 nan 0.000 0.466 1151 S N 2.690 118.440 115.700 0.083 0.000 2.541 1151 S HA 0.306 4.776 4.470 0.001 0.000 0.271 1151 S C 0.404 175.103 174.600 0.165 0.000 1.133 1151 S CA -0.504 57.793 58.200 0.161 0.000 0.876 1151 S CB 2.170 65.602 63.200 0.386 0.000 1.105 1151 S HN 0.829 nan 8.310 nan 0.000 0.470 1152 Q N 2.570 122.446 119.800 0.127 0.000 2.230 1152 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 1152 Q C 1.757 177.835 176.000 0.129 0.000 0.963 1152 Q CA 1.359 57.224 55.803 0.104 0.000 0.866 1152 Q CB -0.125 28.650 28.738 0.062 0.000 0.931 1152 Q HN 0.767 nan 8.270 nan 0.000 0.452 1153 R N -0.599 119.994 120.500 0.154 0.000 2.328 1153 R HA 0.072 4.412 4.340 0.001 0.000 0.207 1153 R C -0.107 176.302 176.300 0.183 0.000 1.056 1153 R CA 0.288 56.480 56.100 0.153 0.000 1.016 1153 R CB -0.076 30.307 30.300 0.138 0.000 0.872 1153 R HN -0.039 nan 8.270 nan 0.000 0.471 1154 V N 4.046 124.080 119.914 0.201 0.000 2.383 1154 V HA 0.295 4.415 4.120 0.001 0.000 0.275 1154 V C -1.962 174.227 176.094 0.158 0.000 1.036 1154 V CA -2.354 60.057 62.300 0.185 0.000 0.889 1154 V CB 1.476 33.437 31.823 0.228 0.000 0.985 1154 V HN 0.168 nan 8.190 nan 0.000 0.459 1155 P HA 0.279 nan 4.420 nan 0.000 0.279 1155 P C -0.309 177.046 177.300 0.092 0.000 1.239 1155 P CA -0.172 63.003 63.100 0.125 0.000 0.789 1155 P CB 1.162 32.942 31.700 0.133 0.000 0.933 1156 A N 2.203 125.069 122.820 0.076 0.000 2.520 1156 A HA 0.394 4.714 4.320 0.001 0.000 0.235 1156 A C 1.514 179.123 177.584 0.042 0.000 1.065 1156 A CA 0.992 53.064 52.037 0.058 0.000 0.764 1156 A CB -1.372 17.659 19.000 0.052 0.000 1.002 1156 A HN 0.901 nan 8.150 nan 0.000 0.502 1157 G N 0.252 109.068 108.800 0.028 0.000 2.258 1157 G HA2 -0.181 3.779 3.960 0.001 0.000 0.233 1157 G HA3 -0.181 3.779 3.960 0.001 0.000 0.233 1157 G C 0.178 175.046 174.900 -0.053 0.000 1.006 1157 G CA 0.684 45.782 45.100 -0.003 0.000 0.620 1157 G HN 1.968 nan 8.290 nan 0.000 0.511 1158 M N -0.406 119.184 119.600 -0.016 0.000 2.530 1158 M HA 0.836 5.317 4.480 0.001 0.000 0.307 1158 M C -0.714 175.585 176.300 -0.000 0.000 1.161 1158 M CA -0.593 54.684 55.300 -0.038 0.000 0.903 1158 M CB 2.442 35.050 32.600 0.012 0.000 1.711 1158 M HN 0.193 nan 8.290 nan 0.000 0.451 1159 T N 2.432 116.976 114.554 -0.017 0.000 2.893 1159 T HA 0.754 5.104 4.350 0.001 0.000 0.291 1159 T C -1.303 173.361 174.700 -0.061 0.000 1.028 1159 T CA -0.756 61.368 62.100 0.040 0.000 0.995 1159 T CB 1.437 70.377 68.868 0.120 0.000 1.051 1159 T HN 0.835 nan 8.240 nan 0.000 0.470 1160 M N 4.313 123.891 119.600 -0.037 0.000 2.142 1160 M HA 0.435 4.916 4.480 0.001 0.000 0.299 1160 M C -0.781 175.425 176.300 -0.157 0.000 0.960 1160 M CA -0.501 54.644 55.300 -0.257 0.000 0.920 1160 M CB 2.070 34.418 32.600 -0.420 0.000 1.541 1160 M HN 0.512 nan 8.290 nan 0.000 0.429 1161 M N 3.860 123.278 119.600 -0.303 0.000 2.060 1161 M HA 0.411 4.892 4.480 0.001 0.000 0.342 1161 M C -1.463 174.767 176.300 -0.117 0.000 1.031 1161 M CA -0.600 54.676 55.300 -0.040 0.000 0.981 1161 M CB 0.616 33.272 32.600 0.093 0.000 1.376 1161 M HN 0.524 nan 8.290 nan 0.000 0.397 1162 Y N 2.799 123.126 120.300 0.045 0.000 2.810 1162 Y HA -0.097 4.453 4.550 0.001 0.000 0.332 1162 Y C 0.706 176.596 175.900 -0.017 0.000 1.243 1162 Y CA 0.705 58.813 58.100 0.012 0.000 1.537 1162 Y CB -0.093 38.377 38.460 0.016 0.000 1.265 1162 Y HN 0.543 nan 8.280 nan 0.000 0.572 1163 H N 3.758 122.831 119.070 0.005 0.000 3.125 1163 H HA 0.266 4.823 4.556 0.001 0.000 0.310 1163 H C 0.283 175.493 175.328 -0.196 0.000 0.980 1163 H CA 0.018 55.989 56.048 -0.128 0.000 1.422 1163 H CB -0.003 29.680 29.762 -0.132 0.000 1.432 1163 H HN 0.861 nan 8.280 nan 0.000 0.577 1164 A N 4.571 126.859 122.820 -0.888 0.000 2.381 1164 A HA -0.190 4.131 4.320 0.001 0.000 0.283 1164 A C 0.847 178.250 177.584 -0.302 0.000 1.419 1164 A CA 0.936 52.565 52.037 -0.680 0.000 0.727 1164 A CB -2.076 16.447 19.000 -0.796 0.000 1.152 1164 A HN 0.937 nan 8.150 nan 0.000 0.366 1165 Q N -0.228 119.435 119.800 -0.227 0.000 2.319 1165 Q HA 0.286 4.626 4.340 0.001 0.000 0.209 1165 Q C 0.584 176.582 176.000 -0.002 0.000 0.884 1165 Q CA 0.473 56.248 55.803 -0.047 0.000 0.938 1165 Q CB 0.393 29.140 28.738 0.015 0.000 1.098 1165 Q HN 0.916 nan 8.270 nan 0.000 0.517 1166 E N -0.118 120.062 120.200 -0.034 0.000 8.880 1166 E HA -0.263 4.087 4.350 0.001 0.000 0.183 1166 E C -0.147 176.488 176.600 0.060 0.000 1.450 1166 E CA 0.445 56.859 56.400 0.025 0.000 2.521 1166 E CB -0.049 29.683 29.700 0.055 0.000 1.229 1166 E HN 0.185 nan 8.360 nan 0.000 0.443 1167 R N 0.897 121.446 120.500 0.082 0.000 2.613 1167 R HA 0.231 4.572 4.340 0.001 0.000 0.361 1167 R C 1.311 177.702 176.300 0.151 0.000 1.072 1167 R CA 0.522 56.690 56.100 0.114 0.000 1.089 1167 R CB -0.016 30.350 30.300 0.110 0.000 1.343 1167 R HN 0.428 nan 8.270 nan 0.000 0.571 1168 I N -3.866 116.788 120.570 0.140 0.000 4.139 1168 I HA 0.313 4.483 4.170 0.001 0.000 0.335 1168 I C -0.422 175.777 176.117 0.137 0.000 1.327 1168 I CA -0.253 61.131 61.300 0.141 0.000 1.112 1168 I CB 1.144 39.223 38.000 0.132 0.000 1.058 1168 I HN -0.277 nan 8.210 nan 0.000 0.396 1169 V N 2.301 122.300 119.914 0.142 0.000 2.588 1169 V HA 0.361 4.481 4.120 0.001 0.000 0.304 1169 V C -0.094 176.115 176.094 0.191 0.000 1.042 1169 V CA -0.679 61.706 62.300 0.143 0.000 0.877 1169 V CB 1.292 33.183 31.823 0.113 0.000 0.996 1169 V HN 0.441 nan 8.190 nan 0.000 0.425 1170 N N 3.279 122.112 118.700 0.222 0.000 2.688 1170 N HA -0.200 4.540 4.740 0.001 0.000 0.258 1170 N C -1.110 174.705 175.510 0.508 0.000 1.016 1170 N CA 0.762 54.028 53.050 0.360 0.000 0.747 1170 N CB -0.720 37.945 38.487 0.296 0.000 0.895 1170 N HN 0.637 nan 8.380 nan 0.000 0.543 1171 L N 0.788 122.289 121.223 0.463 0.000 2.376 1171 L HA 0.592 4.932 4.340 0.001 0.000 0.275 1171 L C -1.983 174.895 176.870 0.014 0.000 0.987 1171 L CA -1.479 53.510 54.840 0.248 0.000 0.828 1171 L CB 2.343 44.505 42.059 0.172 0.000 1.249 1171 L HN 0.051 nan 8.230 nan 0.000 0.409 1172 P HA 0.242 nan 4.420 nan 0.000 0.284 1172 P C -0.162 176.818 177.300 -0.533 0.000 1.292 1172 P CA -0.355 62.078 63.100 -1.111 0.000 0.800 1172 P CB 1.101 31.559 31.700 -2.071 0.000 1.188 1173 G N -0.220 108.294 108.800 -0.476 0.000 2.594 1173 G HA2 0.274 4.235 3.960 0.001 0.000 0.243 1173 G HA3 0.274 4.235 3.960 0.001 0.000 0.243 1173 G C -0.158 174.583 174.900 -0.266 0.000 1.229 1173 G CA -0.172 44.764 45.100 -0.272 0.000 0.843 1173 G HN 0.487 nan 8.290 nan 0.000 0.578 1174 S N -0.322 115.273 115.700 -0.176 0.000 2.499 1174 S HA 0.185 4.656 4.470 0.001 0.000 0.279 1174 S C 1.114 175.612 174.600 -0.170 0.000 1.219 1174 S CA -0.460 57.645 58.200 -0.158 0.000 1.062 1174 S CB 1.113 64.244 63.200 -0.115 0.000 0.978 1174 S HN 0.633 nan 8.310 nan 0.000 0.489 1175 E N 3.622 123.715 120.200 -0.178 0.000 2.208 1175 E HA -0.079 4.271 4.350 0.001 0.000 0.193 1175 E C 1.414 177.896 176.600 -0.197 0.000 0.988 1175 E CA 0.723 57.019 56.400 -0.173 0.000 0.828 1175 E CB 0.002 29.608 29.700 -0.157 0.000 0.763 1175 E HN 0.655 nan 8.360 nan 0.000 0.478 1176 I N 1.019 121.438 120.570 -0.253 0.000 2.233 1176 I HA -0.165 4.006 4.170 0.001 0.000 0.243 1176 I C 2.614 178.607 176.117 -0.207 0.000 1.093 1176 I CA 1.689 62.805 61.300 -0.307 0.000 1.380 1176 I CB -1.022 36.696 38.000 -0.469 0.000 1.067 1176 I HN 0.193 nan 8.210 nan 0.000 0.413 1177 T N -2.813 111.640 114.554 -0.168 0.000 3.001 1177 T HA 0.112 4.462 4.350 0.001 0.000 0.251 1177 T C 0.868 175.492 174.700 -0.127 0.000 1.040 1177 T CA -0.073 61.943 62.100 -0.141 0.000 0.985 1177 T CB 0.207 69.001 68.868 -0.124 0.000 1.011 1177 T HN 0.373 nan 8.240 nan 0.000 0.509 1178 Q N 0.489 120.214 119.800 -0.126 0.000 2.494 1178 Q HA -0.196 4.144 4.340 0.001 0.000 0.266 1178 Q C -0.308 175.635 176.000 -0.095 0.000 1.053 1178 Q CA 0.746 56.482 55.803 -0.112 0.000 1.029 1178 Q CB -1.830 26.847 28.738 -0.101 0.000 1.423 1178 Q HN 0.726 nan 8.270 nan 0.000 0.516 1179 Q N -0.515 119.232 119.800 -0.089 0.000 2.873 1179 Q HA 0.612 4.953 4.340 0.001 0.000 0.297 1179 Q C -0.455 175.516 176.000 -0.049 0.000 1.064 1179 Q CA -1.367 54.401 55.803 -0.059 0.000 0.816 1179 Q CB 1.203 29.911 28.738 -0.049 0.000 1.481 1179 Q HN 0.111 nan 8.270 nan 0.000 0.488 1180 R N 0.269 120.766 120.500 -0.005 0.000 2.640 1180 R HA 0.152 4.493 4.340 0.001 0.000 0.270 1180 R C -0.069 176.235 176.300 0.006 0.000 1.024 1180 R CA 0.610 56.715 56.100 0.009 0.000 1.085 1180 R CB -0.029 30.316 30.300 0.075 0.000 0.963 1180 R HN 0.715 nan 8.270 nan 0.000 0.426 1181 G N 1.989 110.774 108.800 -0.026 0.000 2.484 1181 G HA2 0.310 4.270 3.960 0.001 0.000 0.235 1181 G HA3 0.310 4.270 3.960 0.001 0.000 0.235 1181 G C 0.203 175.132 174.900 0.048 0.000 1.282 1181 G CA -0.127 44.968 45.100 -0.009 0.000 0.857 1181 G HN 0.755 nan 8.290 nan 0.000 0.571 1182 G N 0.195 109.028 108.800 0.056 0.000 2.509 1182 G HA2 0.596 4.557 3.960 0.001 0.000 0.269 1182 G HA3 0.596 4.557 3.960 0.001 0.000 0.269 1182 G C 0.245 175.180 174.900 0.059 0.000 1.416 1182 G CA -0.262 44.880 45.100 0.071 0.000 1.052 1182 G HN 1.068 nan 8.290 nan 0.000 0.542 1183 I N -3.970 116.613 120.570 0.022 0.000 3.237 1183 I HA 0.444 4.615 4.170 0.001 0.000 0.308 1183 I C 1.678 177.937 176.117 0.237 0.000 1.093 1183 I CA -0.957 60.405 61.300 0.103 0.000 1.001 1183 I CB 1.645 39.666 38.000 0.035 0.000 1.245 1183 I HN 0.643 nan 8.210 nan 0.000 0.485 1184 H N 0.859 120.014 119.070 0.142 0.000 2.422 1184 H HA -0.087 4.470 4.556 0.001 0.000 0.298 1184 H C 0.744 176.223 175.328 0.251 0.000 1.098 1184 H CA 1.858 58.088 56.048 0.303 0.000 1.315 1184 H CB -1.045 28.922 29.762 0.343 0.000 1.382 1184 H HN 0.618 nan 8.280 nan 0.000 0.523 1185 N N 0.491 119.122 118.700 -0.115 0.000 2.434 1185 N HA 0.025 4.765 4.740 0.001 0.000 0.196 1185 N C 0.971 176.528 175.510 0.078 0.000 1.183 1185 N CA 0.352 53.321 53.050 -0.136 0.000 0.849 1185 N CB 0.095 38.458 38.487 -0.206 0.000 0.992 1185 N HN 0.325 nan 8.380 nan 0.000 0.460 1186 S N -0.508 115.251 115.700 0.100 0.000 2.470 1186 S HA -0.014 4.457 4.470 0.001 0.000 0.225 1186 S C 1.706 176.358 174.600 0.087 0.000 1.006 1186 S CA 0.253 58.534 58.200 0.135 0.000 0.934 1186 S CB 0.349 63.620 63.200 0.117 0.000 0.778 1186 S HN 0.352 nan 8.310 nan 0.000 0.517 1187 V N 0.536 120.468 119.914 0.030 0.000 3.444 1187 V HA 0.330 4.451 4.120 0.001 0.000 0.308 1187 V C 0.518 176.635 176.094 0.039 0.000 1.371 1187 V CA 0.046 62.332 62.300 -0.025 0.000 1.141 1187 V CB -0.819 30.846 31.823 -0.264 0.000 1.037 1187 V HN 0.391 nan 8.190 nan 0.000 0.433 1188 T N -1.068 113.543 114.554 0.095 0.000 2.942 1188 T HA 0.772 5.123 4.350 0.001 0.000 0.289 1188 T C -0.537 174.250 174.700 0.145 0.000 1.044 1188 T CA -0.797 61.362 62.100 0.098 0.000 1.023 1188 T CB 2.887 71.780 68.868 0.043 0.000 1.123 1188 T HN 0.538 nan 8.240 nan 0.000 0.512 1189 R N 0.766 121.322 120.500 0.092 0.000 2.594 1189 R HA 0.495 4.836 4.340 0.001 0.000 0.265 1189 R C -1.229 175.106 176.300 0.057 0.000 1.070 1189 R CA -0.861 55.261 56.100 0.037 0.000 0.909 1189 R CB 1.558 31.835 30.300 -0.038 0.000 1.243 1189 R HN 0.781 nan 8.270 nan 0.000 0.455 1190 I N 2.468 123.106 120.570 0.113 0.000 2.648 1190 I HA 0.146 4.316 4.170 0.001 0.000 0.284 1190 I C -0.128 176.094 176.117 0.175 0.000 1.153 1190 I CA 0.585 62.003 61.300 0.196 0.000 1.426 1190 I CB 1.389 39.626 38.000 0.395 0.000 1.381 1190 I HN 0.493 nan 8.210 nan 0.000 0.571 1191 T N 6.967 121.550 114.554 0.048 0.000 3.066 1191 T HA 0.328 4.679 4.350 0.001 0.000 0.318 1191 T C -2.381 172.293 174.700 -0.043 0.000 0.979 1191 T CA -0.899 61.191 62.100 -0.016 0.000 1.025 1191 T CB 1.645 70.511 68.868 -0.002 0.000 1.002 1191 T HN 0.423 nan 8.240 nan 0.000 0.453 1192 P HA 0.448 nan 4.420 nan 0.000 0.277 1192 P C -0.907 176.302 177.300 -0.152 0.000 1.271 1192 P CA -0.735 62.236 63.100 -0.216 0.000 0.795 1192 P CB 1.322 32.808 31.700 -0.357 0.000 1.101 1193 K N 0.815 121.034 120.400 -0.302 0.000 2.463 1193 K HA 0.359 4.680 4.320 0.001 0.000 0.255 1193 K C -2.088 174.197 176.600 -0.526 0.000 0.942 1193 K CA -2.152 53.819 56.287 -0.526 0.000 0.814 1193 K CB 1.817 33.711 32.500 -1.009 0.000 1.122 1193 K HN 0.053 nan 8.250 nan 0.000 0.425 1194 P HA -0.213 nan 4.420 nan 0.000 0.216 1194 P C 0.842 178.077 177.300 -0.108 0.000 1.150 1194 P CA 1.585 64.439 63.100 -0.410 0.000 0.843 1194 P CB 0.114 31.170 31.700 -1.074 0.000 0.787 1195 T N -4.543 109.776 114.554 -0.391 0.000 2.977 1195 T HA -0.196 4.154 4.350 0.001 0.000 0.271 1195 T C 1.319 176.048 174.700 0.047 0.000 1.105 1195 T CA 1.305 63.341 62.100 -0.107 0.000 1.116 1195 T CB -1.400 67.344 68.868 -0.207 0.000 0.878 1195 T HN 0.392 nan 8.240 nan 0.000 0.509 1196 H N -0.171 118.814 119.070 -0.141 0.000 2.526 1196 H HA 0.388 4.944 4.556 0.001 0.000 0.274 1196 H C 1.496 176.717 175.328 -0.179 0.000 0.999 1196 H CA -0.041 55.803 56.048 -0.341 0.000 1.157 1196 H CB -0.054 29.451 29.762 -0.428 0.000 1.407 1196 H HN 0.350 nan 8.280 nan 0.000 0.568 1197 M N 0.416 120.126 119.600 0.183 0.000 2.333 1197 M HA 0.180 4.660 4.480 0.001 0.000 0.257 1197 M C 0.028 176.512 176.300 0.307 0.000 1.078 1197 M CA 0.018 55.482 55.300 0.274 0.000 1.005 1197 M CB 0.973 33.805 32.600 0.386 0.000 1.444 1197 M HN 0.103 nan 8.290 nan 0.000 0.496 1198 I N 1.159 121.806 120.570 0.127 0.000 2.752 1198 I HA 0.199 4.369 4.170 0.001 0.000 0.287 1198 I C 0.771 176.565 176.117 -0.538 0.000 1.188 1198 I CA 0.030 61.020 61.300 -0.517 0.000 1.427 1198 I CB 0.303 37.872 38.000 -0.718 0.000 1.365 1198 I HN 0.164 nan 8.210 nan 0.000 0.585 1199 G N 2.197 110.234 108.800 -1.273 0.000 2.721 1199 G HA2 0.505 4.466 3.960 0.001 0.000 0.296 1199 G HA3 0.505 4.466 3.960 0.001 0.000 0.296 1199 G C 0.225 174.570 174.900 -0.925 0.000 1.383 1199 G CA -0.273 44.389 45.100 -0.731 0.000 0.788 1199 G HN 0.979 nan 8.290 nan 0.000 0.500 1200 G N -1.598 107.044 108.800 -0.263 0.000 2.283 1200 G HA2 -0.215 3.745 3.960 0.001 0.000 0.280 1200 G HA3 -0.215 3.745 3.960 0.001 0.000 0.280 1200 G C -0.031 174.911 174.900 0.069 0.000 1.029 1200 G CA 1.449 46.526 45.100 -0.037 0.000 0.840 1200 G HN 1.553 nan 8.290 nan 0.000 0.505 1201 Y N -0.580 119.601 120.300 -0.199 0.000 2.497 1201 Y HA 0.501 5.052 4.550 0.001 0.000 0.333 1201 Y C 0.948 176.809 175.900 -0.065 0.000 1.046 1201 Y CA 0.506 58.583 58.100 -0.039 0.000 1.160 1201 Y CB 0.110 38.471 38.460 -0.166 0.000 1.123 1201 Y HN 1.349 nan 8.280 nan 0.000 0.638 1202 A N 1.277 124.014 122.820 -0.138 0.000 5.093 1202 A HA -0.434 3.887 4.320 0.001 0.000 0.329 1202 A C 1.871 179.528 177.584 0.122 0.000 1.836 1202 A CA 2.394 54.421 52.037 -0.016 0.000 0.707 1202 A CB -1.750 17.293 19.000 0.072 0.000 1.389 1202 A HN 0.939 nan 8.150 nan 0.000 0.383 1203 H N 0.568 119.669 119.070 0.052 0.000 2.491 1203 H HA 0.209 4.766 4.556 0.001 0.000 0.290 1203 H C 1.055 176.259 175.328 -0.208 0.000 1.050 1203 H CA 1.396 57.434 56.048 -0.017 0.000 1.309 1203 H CB -0.686 29.101 29.762 0.040 0.000 1.392 1203 H HN 0.531 nan 8.280 nan 0.000 0.554 1204 L N 1.707 122.567 121.223 -0.606 0.000 2.475 1204 L HA 0.594 4.934 4.340 0.001 0.000 0.253 1204 L C -0.018 176.607 176.870 -0.409 0.000 1.137 1204 L CA -0.399 54.035 54.840 -0.677 0.000 1.058 1204 L CB 0.378 42.010 42.059 -0.712 0.000 1.382 1204 L HN 0.277 nan 8.230 nan 0.000 0.416 1205 A N 0.927 123.621 122.820 -0.209 0.000 2.566 1205 A HA 0.584 4.905 4.320 0.001 0.000 0.292 1205 A C -1.631 176.079 177.584 0.211 0.000 1.112 1205 A CA -0.500 51.539 52.037 0.002 0.000 0.707 1205 A CB 1.371 20.411 19.000 0.067 0.000 1.302 1205 A HN 0.294 nan 8.150 nan 0.000 0.409 1206 Y N 0.433 120.832 120.300 0.166 0.000 2.326 1206 Y HA 0.492 5.042 4.550 0.001 0.000 0.333 1206 Y C 0.673 176.731 175.900 0.264 0.000 1.240 1206 Y CA 0.663 58.920 58.100 0.261 0.000 1.365 1206 Y CB 1.162 39.755 38.460 0.221 0.000 1.289 1206 Y HN 1.063 nan 8.280 nan 0.000 0.548 1207 G N 4.008 112.257 108.800 -0.918 0.000 2.752 1207 G HA2 0.279 4.239 3.960 0.001 0.000 0.298 1207 G HA3 0.279 4.239 3.960 0.001 0.000 0.298 1207 G C -2.104 172.323 174.900 -0.788 0.000 1.434 1207 G CA -0.988 43.763 45.100 -0.583 0.000 1.004 1207 G HN 0.537 nan 8.290 nan 0.000 0.560 1208 F N 2.166 121.751 119.950 -0.608 0.000 2.546 1208 F HA 0.122 4.650 4.527 0.001 0.000 0.388 1208 F C 1.316 176.998 175.800 -0.197 0.000 1.051 1208 F CA 0.851 58.627 58.000 -0.375 0.000 1.130 1208 F CB -0.258 38.392 39.000 -0.583 0.000 1.044 1208 F HN 0.794 nan 8.300 nan 0.000 0.553 1209 N N 2.426 120.871 118.700 -0.424 0.000 2.936 1209 N HA -0.364 4.377 4.740 0.001 0.000 0.236 1209 N C 0.639 176.129 175.510 -0.033 0.000 0.930 1209 N CA 1.218 54.053 53.050 -0.357 0.000 0.966 1209 N CB -1.554 36.580 38.487 -0.588 0.000 1.090 1209 N HN 0.720 nan 8.380 nan 0.000 0.592 1210 Y N -0.262 119.956 120.300 -0.137 0.000 2.262 1210 Y HA 0.261 4.812 4.550 0.001 0.000 0.295 1210 Y C 0.415 176.382 175.900 0.112 0.000 1.121 1210 Y CA 1.112 59.207 58.100 -0.007 0.000 1.144 1210 Y CB 0.273 38.694 38.460 -0.064 0.000 1.043 1210 Y HN 0.201 nan 8.280 nan 0.000 0.528 1211 Y N -0.504 119.676 120.300 -0.200 0.000 2.625 1211 Y HA 0.597 5.147 4.550 0.001 0.000 0.338 1211 Y C -0.037 175.921 175.900 0.098 0.000 1.123 1211 Y CA -0.749 57.243 58.100 -0.179 0.000 1.046 1211 Y CB 1.865 40.238 38.460 -0.145 0.000 1.299 1211 Y HN 0.235 nan 8.280 nan 0.000 0.464 1212 G N 0.523 109.094 108.800 -0.382 0.000 2.347 1212 G HA2 0.315 4.275 3.960 0.001 0.000 0.321 1212 G HA3 0.315 4.275 3.960 0.001 0.000 0.321 1212 G C -1.056 173.686 174.900 -0.263 0.000 1.412 1212 G CA -0.551 44.475 45.100 -0.123 0.000 0.990 1212 G HN 0.920 nan 8.290 nan 0.000 0.637 1213 T N -1.861 112.642 114.554 -0.084 0.000 2.932 1213 T HA 0.550 4.901 4.350 0.001 0.000 0.312 1213 T C 0.795 175.459 174.700 -0.059 0.000 1.071 1213 T CA 0.333 62.404 62.100 -0.049 0.000 1.128 1213 T CB 1.274 70.140 68.868 -0.003 0.000 0.984 1213 T HN 2.049 nan 8.240 nan 0.000 0.549 1214 V N -0.618 119.243 119.914 -0.088 0.000 2.815 1214 V HA 0.882 5.002 4.120 0.001 0.000 0.314 1214 V C 0.602 176.664 176.094 -0.053 0.000 1.064 1214 V CA -0.878 61.355 62.300 -0.112 0.000 0.952 1214 V CB 1.588 33.237 31.823 -0.289 0.000 1.020 1214 V HN 1.130 nan 8.190 nan 0.000 0.439 1215 G N 2.388 111.139 108.800 -0.081 0.000 3.343 1215 G HA2 0.396 4.357 3.960 0.001 0.000 0.264 1215 G HA3 0.396 4.357 3.960 0.001 0.000 0.264 1215 G C 0.446 175.189 174.900 -0.261 0.000 0.884 1215 G CA 0.276 45.282 45.100 -0.157 0.000 1.916 1215 G HN 1.248 nan 8.290 nan 0.000 0.618 1216 S N 0.566 116.158 115.700 -0.181 0.000 2.573 1216 S HA 0.141 4.612 4.470 0.001 0.000 0.277 1216 S C 1.008 175.514 174.600 -0.157 0.000 1.346 1216 S CA 0.009 58.100 58.200 -0.182 0.000 1.034 1216 S CB 1.295 64.455 63.200 -0.067 0.000 0.879 1216 S HN 0.700 nan 8.310 nan 0.000 0.528 1217 N N -0.079 118.505 118.700 -0.193 0.000 1.952 1217 N HA 0.011 4.751 4.740 0.001 0.000 0.228 1217 N C 0.575 175.947 175.510 -0.230 0.000 1.398 1217 N CA -0.552 52.399 53.050 -0.166 0.000 0.817 1217 N CB 0.156 38.538 38.487 -0.174 0.000 1.101 1217 N HN 0.344 nan 8.380 nan 0.000 0.498 1218 R N 1.402 121.629 120.500 -0.455 0.000 2.236 1218 R HA 0.052 4.392 4.340 0.001 0.000 0.208 1218 R C 0.272 176.096 176.300 -0.794 0.000 1.036 1218 R CA 0.757 56.340 56.100 -0.863 0.000 1.001 1218 R CB -0.431 28.800 30.300 -1.782 0.000 0.896 1218 R HN 0.390 nan 8.270 nan 0.000 0.464 1219 D N 0.598 120.812 120.400 -0.310 0.000 2.312 1219 D HA -0.089 4.551 4.640 0.001 0.000 0.211 1219 D C 0.415 176.865 176.300 0.251 0.000 0.964 1219 D CA 0.423 54.506 54.000 0.138 0.000 0.877 1219 D CB 0.047 40.967 40.800 0.200 0.000 0.924 1219 D HN 0.062 nan 8.370 nan 0.000 0.515 1220 E N -0.189 120.082 120.200 0.119 0.000 2.481 1220 E HA 0.080 4.430 4.350 0.001 0.000 0.263 1220 E C -0.951 175.794 176.600 0.243 0.000 0.992 1220 E CA 0.385 56.903 56.400 0.197 0.000 0.938 1220 E CB 0.235 30.026 29.700 0.151 0.000 0.933 1220 E HN -0.077 nan 8.360 nan 0.000 0.453 1221 F N 2.637 122.627 119.950 0.067 0.000 2.561 1221 F HA 0.557 5.084 4.527 0.000 0.000 0.321 1221 F C -0.265 175.508 175.800 -0.045 0.000 1.065 1221 F CA -0.672 57.343 58.000 0.024 0.000 0.934 1221 F CB 1.693 40.688 39.000 -0.010 0.000 1.215 1221 F HN 0.289 nan 8.300 nan 0.000 0.471 1222 V N -0.311 119.596 119.914 -0.012 0.000 3.159 1222 V HA 0.782 4.902 4.120 0.001 0.000 0.308 1222 V C -1.476 174.490 176.094 -0.213 0.000 1.190 1222 V CA -1.088 61.109 62.300 -0.171 0.000 1.037 1222 V CB 1.476 33.086 31.823 -0.354 0.000 1.060 1222 V HN 0.426 nan 8.190 nan 0.000 0.437 1223 V N 1.832 121.476 119.914 -0.450 0.000 2.439 1223 V HA 0.648 4.769 4.120 0.001 0.000 0.282 1223 V C -0.050 175.782 176.094 -0.437 0.000 1.039 1223 V CA -0.331 61.651 62.300 -0.530 0.000 0.913 1223 V CB 1.323 32.536 31.823 -1.017 0.000 0.983 1223 V HN 0.765 nan 8.190 nan 0.000 0.460 1224 V N 6.192 126.004 119.914 -0.169 0.000 2.628 1224 V HA 0.813 4.933 4.120 0.001 0.000 0.306 1224 V C -0.094 176.031 176.094 0.052 0.000 1.045 1224 V CA -0.723 61.560 62.300 -0.028 0.000 0.905 1224 V CB 1.933 33.763 31.823 0.011 0.000 0.997 1224 V HN 1.080 nan 8.190 nan 0.000 0.436 1225 R N 2.184 122.753 120.500 0.116 0.000 2.712 1225 R HA 0.532 4.872 4.340 0.001 0.000 0.272 1225 R C -1.333 175.037 176.300 0.117 0.000 1.032 1225 R CA -1.051 55.123 56.100 0.124 0.000 0.874 1225 R CB 1.846 32.249 30.300 0.172 0.000 1.256 1225 R HN 0.537 nan 8.270 nan 0.000 0.468 1226 K N 2.015 122.472 120.400 0.094 0.000 2.270 1226 K HA 0.245 4.565 4.320 0.001 0.000 0.276 1226 K C -0.330 176.324 176.600 0.089 0.000 1.023 1226 K CA -0.337 56.004 56.287 0.091 0.000 0.955 1226 K CB 0.881 33.424 32.500 0.071 0.000 0.975 1226 K HN 0.521 nan 8.250 nan 0.000 0.471 1227 M N 3.396 123.058 119.600 0.103 0.000 2.255 1227 M HA 0.070 4.550 4.480 0.001 0.000 0.336 1227 M C 0.832 177.158 176.300 0.042 0.000 1.135 1227 M CA -0.093 55.244 55.300 0.061 0.000 1.145 1227 M CB 1.440 34.075 32.600 0.059 0.000 1.473 1227 M HN 0.629 nan 8.290 nan 0.000 0.462 1228 K N 2.162 122.561 120.400 -0.001 0.000 2.218 1228 K HA 0.180 4.501 4.320 0.001 0.000 0.214 1228 K C -0.178 176.403 176.600 -0.031 0.000 1.033 1228 K CA 1.043 57.327 56.287 -0.005 0.000 0.949 1228 K CB 0.256 32.748 32.500 -0.013 0.000 0.993 1228 K HN 0.669 nan 8.250 nan 0.000 0.464 1229 N N 1.121 119.778 118.700 -0.071 0.000 2.455 1229 N HA 0.218 4.958 4.740 0.001 0.000 0.280 1229 N C -1.057 174.336 175.510 -0.195 0.000 1.055 1229 N CA -0.413 52.574 53.050 -0.104 0.000 0.961 1229 N CB 1.114 39.541 38.487 -0.101 0.000 1.121 1229 N HN 0.112 nan 8.380 nan 0.000 0.476 1230 I N 2.561 122.989 120.570 -0.237 0.000 2.479 1230 I HA 0.226 4.396 4.170 0.001 0.000 0.279 1230 I C -0.587 175.230 176.117 -0.500 0.000 1.102 1230 I CA -0.448 60.566 61.300 -0.476 0.000 1.196 1230 I CB -0.140 37.569 38.000 -0.485 0.000 1.427 1230 I HN 0.388 nan 8.210 nan 0.000 0.503 1231 D N 3.893 124.008 120.400 -0.476 0.000 2.232 1231 D HA 0.157 4.797 4.640 0.001 0.000 0.242 1231 D C 0.510 176.532 176.300 -0.465 0.000 1.093 1231 D CA -0.215 53.585 54.000 -0.333 0.000 0.845 1231 D CB 1.591 42.280 40.800 -0.186 0.000 1.124 1231 D HN 0.372 nan 8.370 nan 0.000 0.467 1232 W N 1.460 122.684 121.300 -0.126 0.000 3.290 1232 W HA 0.188 4.849 4.660 0.002 0.000 0.287 1232 W C 1.002 177.476 176.519 -0.075 0.000 1.288 1232 W CA -0.304 56.974 57.345 -0.111 0.000 1.725 1232 W CB -0.243 29.161 29.460 -0.092 0.000 1.103 1232 W HN 0.297 nan 8.180 nan 0.000 0.670 1233 L N 2.103 123.373 121.223 0.079 0.000 3.781 1233 L HA -0.318 4.023 4.340 0.001 0.000 0.426 1233 L C 0.396 177.306 176.870 0.065 0.000 1.197 1233 L CA 1.072 55.936 54.840 0.040 0.000 0.907 1233 L CB -1.765 40.293 42.059 -0.001 0.000 1.812 1233 L HN 0.210 nan 8.230 nan 0.000 0.956 1234 D N -1.375 119.082 120.400 0.094 0.000 2.469 1234 D HA 0.316 4.956 4.640 0.001 0.000 0.215 1234 D C 1.385 177.706 176.300 0.035 0.000 1.154 1234 D CA 0.505 54.544 54.000 0.065 0.000 0.832 1234 D CB 0.667 41.513 40.800 0.076 0.000 1.008 1234 D HN 0.354 nan 8.370 nan 0.000 0.506 1235 G N 0.145 108.965 108.800 0.033 0.000 2.176 1235 G HA2 -0.308 3.653 3.960 0.001 0.000 0.253 1235 G HA3 -0.308 3.653 3.960 0.001 0.000 0.253 1235 G C 0.148 175.058 174.900 0.015 0.000 0.979 1235 G CA 0.415 45.526 45.100 0.017 0.000 0.641 1235 G HN 0.587 nan 8.290 nan 0.000 0.530 1236 E N 0.430 120.642 120.200 0.021 0.000 2.280 1236 E HA 0.617 4.968 4.350 0.001 0.000 0.264 1236 E C 1.234 177.847 176.600 0.023 0.000 1.064 1236 E CA 0.081 56.486 56.400 0.009 0.000 0.900 1236 E CB 0.841 30.533 29.700 -0.014 0.000 1.123 1236 E HN 0.483 nan 8.360 nan 0.000 0.418 1237 G N 1.975 110.783 108.800 0.015 0.000 3.678 1237 G HA2 0.022 3.983 3.960 0.001 0.000 0.287 1237 G HA3 0.022 3.983 3.960 0.001 0.000 0.287 1237 G C -0.106 174.813 174.900 0.032 0.000 1.280 1237 G CA -0.300 44.814 45.100 0.024 0.000 1.118 1237 G HN 0.518 nan 8.290 nan 0.000 0.563 1238 N N 0.905 119.628 118.700 0.039 0.000 2.839 1238 N HA 0.182 4.923 4.740 0.001 0.000 0.314 1238 N C -0.878 174.726 175.510 0.156 0.000 1.449 1238 N CA -0.350 52.725 53.050 0.041 0.000 1.050 1238 N CB 0.619 39.075 38.487 -0.051 0.000 1.364 1238 N HN 0.101 nan 8.380 nan 0.000 0.512 1239 D N 0.406 120.904 120.400 0.164 0.000 2.385 1239 D HA 0.385 5.026 4.640 0.001 0.000 0.254 1239 D C 0.070 176.451 176.300 0.134 0.000 1.053 1239 D CA -0.118 54.004 54.000 0.204 0.000 0.992 1239 D CB 1.257 42.113 40.800 0.094 0.000 1.145 1239 D HN 0.096 nan 8.370 nan 0.000 0.523 1240 Q N -0.757 119.098 119.800 0.092 0.000 2.605 1240 Q HA 0.781 5.122 4.340 0.001 0.000 0.296 1240 Q C -1.297 174.714 176.000 0.018 0.000 1.056 1240 Q CA -0.926 54.922 55.803 0.075 0.000 0.778 1240 Q CB 2.448 31.270 28.738 0.140 0.000 1.497 1240 Q HN 0.125 nan 8.270 nan 0.000 0.443 1241 V N 0.649 120.585 119.914 0.038 0.000 2.733 1241 V HA 0.395 4.516 4.120 0.001 0.000 0.306 1241 V C -1.119 175.005 176.094 0.050 0.000 1.084 1241 V CA -0.872 61.441 62.300 0.022 0.000 0.905 1241 V CB 1.951 33.783 31.823 0.014 0.000 1.010 1241 V HN 0.600 nan 8.190 nan 0.000 0.424 1242 Q N 2.202 122.034 119.800 0.054 0.000 2.241 1242 Q HA 0.427 4.768 4.340 0.001 0.000 0.254 1242 Q C -0.312 175.717 176.000 0.049 0.000 0.917 1242 Q CA -0.543 55.304 55.803 0.073 0.000 0.919 1242 Q CB 2.062 30.861 28.738 0.103 0.000 1.237 1242 Q HN 0.681 nan 8.270 nan 0.000 0.434 1243 E N 1.067 121.295 120.200 0.046 0.000 2.437 1243 E HA -0.003 4.348 4.350 0.001 0.000 0.263 1243 E C -0.127 176.492 176.600 0.032 0.000 1.030 1243 E CA -0.137 56.283 56.400 0.034 0.000 0.934 1243 E CB 0.492 30.211 29.700 0.031 0.000 0.943 1243 E HN 0.597 nan 8.360 nan 0.000 0.444 1244 S N 0.924 116.640 115.700 0.026 0.000 2.554 1244 S HA -0.066 4.404 4.470 0.001 0.000 0.290 1244 S C 1.004 175.620 174.600 0.027 0.000 1.309 1244 S CA -0.726 57.488 58.200 0.025 0.000 1.047 1244 S CB 0.900 64.112 63.200 0.020 0.000 0.828 1244 S HN 0.381 nan 8.310 nan 0.000 0.509 1245 V N 2.557 122.488 119.914 0.029 0.000 3.141 1245 V HA -0.018 4.102 4.120 0.001 0.000 0.265 1245 V C 1.130 177.239 176.094 0.026 0.000 1.126 1245 V CA 0.963 63.281 62.300 0.030 0.000 1.141 1245 V CB -1.551 30.293 31.823 0.035 0.000 0.743 1245 V HN 0.943 nan 8.190 nan 0.000 0.492 1246 K N 0.000 120.414 120.400 0.023 0.000 2.780 1246 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1246 K CA 0.000 56.299 56.287 0.020 0.000 0.838 1246 K CB 0.000 32.511 32.500 0.019 0.000 1.064 1246 K HN 0.000 nan 8.250 nan 0.000 0.543