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 2c9m_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.181 176.300 -0.199 0.000 1.140 1 M CA 0.000 55.056 55.300 -0.407 0.000 0.988 1 M CB 0.000 32.485 32.600 -0.191 0.000 1.302 2 E N 2.082 122.221 120.200 -0.100 0.000 2.442 2 E HA 0.581 4.881 4.350 -0.084 0.000 0.260 2 E C 0.837 177.421 176.600 -0.025 0.000 1.148 2 E CA 1.522 57.909 56.400 -0.022 0.000 0.976 2 E CB 0.713 30.426 29.700 0.021 0.000 0.967 2 E HN 1.059 nan 8.360 nan 0.000 0.454 3 A N 1.796 124.656 122.820 0.067 0.000 2.704 3 A HA -0.176 4.094 4.320 -0.084 0.000 0.299 3 A C 1.195 178.729 177.584 -0.082 0.000 1.507 3 A CA 1.476 53.560 52.037 0.077 0.000 0.776 3 A CB -2.263 16.742 19.000 0.009 0.000 1.027 3 A HN 1.050 nan 8.150 nan 0.000 0.475 4 A N 0.025 122.834 122.820 -0.018 0.000 2.208 4 A HA 0.166 4.436 4.320 -0.084 0.000 0.209 4 A C 1.613 179.161 177.584 -0.061 0.000 1.161 4 A CA 1.258 53.252 52.037 -0.072 0.000 0.782 4 A CB -0.663 18.305 19.000 -0.053 0.000 0.816 4 A HN 1.402 nan 8.150 nan 0.000 0.477 5 H N -0.617 118.431 119.070 -0.036 0.000 2.529 5 H HA 0.031 4.537 4.556 -0.084 0.000 0.277 5 H C 1.192 176.513 175.328 -0.011 0.000 0.999 5 H CA 1.392 57.420 56.048 -0.034 0.000 1.256 5 H CB -0.275 29.478 29.762 -0.016 0.000 1.402 5 H HN 0.473 nan 8.280 nan 0.000 0.566 6 S N -0.310 114.976 115.700 -0.691 0.000 2.568 6 S HA 0.291 4.711 4.470 -0.084 0.000 0.232 6 S C 0.181 174.658 174.600 -0.204 0.000 0.975 6 S CA -0.775 57.154 58.200 -0.451 0.000 0.949 6 S CB 0.361 63.224 63.200 -0.561 0.000 0.829 6 S HN 0.225 nan 8.310 nan 0.000 0.479 7 K N 2.030 122.340 120.400 -0.150 0.000 2.318 7 K HA 0.532 4.801 4.320 -0.084 0.000 0.249 7 K C -0.068 176.508 176.600 -0.039 0.000 0.942 7 K CA -0.573 55.667 56.287 -0.079 0.000 0.808 7 K CB 1.871 34.326 32.500 -0.076 0.000 1.189 7 K HN 0.292 nan 8.250 nan 0.000 0.428 8 S N -0.157 115.531 115.700 -0.019 0.000 2.572 8 S HA -0.074 4.345 4.470 -0.084 0.000 0.267 8 S C 1.442 176.043 174.600 0.002 0.000 1.361 8 S CA 0.325 58.523 58.200 -0.003 0.000 1.009 8 S CB 0.688 63.889 63.200 0.002 0.000 0.888 8 S HN 0.785 nan 8.310 nan 0.000 0.553 9 T N -1.175 113.382 114.554 0.005 0.000 2.833 9 T HA -0.104 4.196 4.350 -0.084 0.000 0.269 9 T C 1.392 176.104 174.700 0.021 0.000 1.054 9 T CA 1.193 63.297 62.100 0.007 0.000 1.135 9 T CB -0.518 68.350 68.868 -0.000 0.000 0.869 9 T HN 0.656 nan 8.240 nan 0.000 0.466 10 E N 1.609 121.821 120.200 0.020 0.000 2.028 10 E HA -0.101 4.199 4.350 -0.084 0.000 0.191 10 E C 2.316 178.942 176.600 0.042 0.000 0.988 10 E CA 1.226 57.643 56.400 0.028 0.000 0.799 10 E CB -0.341 29.370 29.700 0.019 0.000 0.755 10 E HN 0.719 nan 8.360 nan 0.000 0.447 11 E N 0.007 120.227 120.200 0.034 0.000 2.219 11 E HA -0.197 4.103 4.350 -0.084 0.000 0.198 11 E C 2.132 178.780 176.600 0.080 0.000 0.998 11 E CA 1.241 57.668 56.400 0.045 0.000 0.818 11 E CB -0.110 29.604 29.700 0.023 0.000 0.741 11 E HN 0.244 nan 8.360 nan 0.000 0.477 12 C N -0.036 119.311 119.300 0.079 0.000 2.522 12 C HA 0.043 4.453 4.460 -0.084 0.000 0.280 12 C C 2.493 177.631 174.990 0.246 0.000 1.303 12 C CA -0.082 59.022 59.018 0.144 0.000 1.709 12 C CB -0.728 27.077 27.740 0.108 0.000 2.071 12 C HN 0.399 nan 8.230 nan 0.000 0.492 13 L N 1.279 122.598 121.223 0.160 0.000 2.187 13 L HA -0.178 4.111 4.340 -0.084 0.000 0.213 13 L C 2.780 179.749 176.870 0.165 0.000 1.100 13 L CA 1.489 56.425 54.840 0.160 0.000 0.765 13 L CB -0.663 41.446 42.059 0.084 0.000 0.904 13 L HN 0.397 nan 8.230 nan 0.000 0.437 14 A N -0.612 122.281 122.820 0.122 0.000 1.840 14 A HA -0.268 4.002 4.320 -0.084 0.000 0.214 14 A C 2.100 179.720 177.584 0.061 0.000 1.198 14 A CA 1.038 53.121 52.037 0.078 0.000 0.608 14 A CB -1.060 17.970 19.000 0.049 0.000 0.839 14 A HN 0.390 nan 8.150 nan 0.000 0.443 15 Y N -0.821 119.413 120.300 -0.110 0.000 2.405 15 Y HA -0.241 4.259 4.550 -0.084 0.000 0.282 15 Y C 1.058 176.630 175.900 -0.547 0.000 1.182 15 Y CA 1.705 59.610 58.100 -0.325 0.000 1.312 15 Y CB -0.266 37.933 38.460 -0.435 0.000 0.971 15 Y HN 0.312 nan 8.280 nan 0.000 0.560 16 F N -1.851 118.217 119.950 0.195 0.000 2.746 16 F HA 0.318 4.794 4.527 -0.084 0.000 0.320 16 F C 1.721 177.595 175.800 0.124 0.000 1.097 16 F CA 0.198 58.284 58.000 0.142 0.000 1.195 16 F CB 0.363 39.394 39.000 0.051 0.000 1.056 16 F HN -0.111 nan 8.300 nan 0.000 0.562 17 G N 2.231 111.149 108.800 0.198 0.000 2.361 17 G HA2 -0.265 3.645 3.960 -0.084 0.000 0.294 17 G HA3 -0.265 3.645 3.960 -0.084 0.000 0.294 17 G C -0.091 174.900 174.900 0.152 0.000 1.004 17 G CA 0.664 45.847 45.100 0.138 0.000 0.870 17 G HN 0.350 nan 8.290 nan 0.000 0.510 18 V N 0.357 120.375 119.914 0.174 0.000 2.483 18 V HA 0.805 4.875 4.120 -0.084 0.000 0.295 18 V C 0.617 176.762 176.094 0.086 0.000 1.035 18 V CA 0.016 62.394 62.300 0.131 0.000 0.896 18 V CB 1.863 33.762 31.823 0.126 0.000 0.986 18 V HN 1.077 nan 8.190 nan 0.000 0.447 19 S N 3.765 119.504 115.700 0.064 0.000 2.489 19 S HA 0.278 4.697 4.470 -0.084 0.000 0.277 19 S C 0.728 175.345 174.600 0.028 0.000 1.230 19 S CA 0.084 58.310 58.200 0.043 0.000 1.053 19 S CB 1.110 64.334 63.200 0.040 0.000 0.955 19 S HN 1.021 nan 8.310 nan 0.000 0.488 20 E N 1.888 122.092 120.200 0.007 0.000 2.516 20 E HA -0.130 4.170 4.350 -0.084 0.000 0.199 20 E C 1.271 177.846 176.600 -0.042 0.000 1.069 20 E CA 1.096 57.479 56.400 -0.028 0.000 0.876 20 E CB -0.567 29.105 29.700 -0.047 0.000 0.843 20 E HN 0.843 nan 8.360 nan 0.000 0.530 21 T N -1.926 112.626 114.554 -0.005 0.000 2.978 21 T HA -0.060 4.240 4.350 -0.084 0.000 0.262 21 T C 1.889 176.625 174.700 0.061 0.000 1.063 21 T CA 1.134 63.240 62.100 0.011 0.000 1.140 21 T CB -0.095 68.785 68.868 0.019 0.000 0.886 21 T HN 0.260 nan 8.240 nan 0.000 0.470 22 T N -2.287 112.308 114.554 0.069 0.000 3.144 22 T HA 0.561 4.861 4.350 -0.084 0.000 0.290 22 T C 1.245 176.007 174.700 0.104 0.000 0.966 22 T CA 0.327 62.487 62.100 0.100 0.000 0.907 22 T CB -0.103 68.807 68.868 0.070 0.000 1.152 22 T HN 0.891 nan 8.240 nan 0.000 0.532 23 G N 2.252 111.102 108.800 0.084 0.000 2.622 23 G HA2 -0.128 3.782 3.960 -0.084 0.000 0.272 23 G HA3 -0.128 3.782 3.960 -0.084 0.000 0.272 23 G C -0.237 174.707 174.900 0.073 0.000 1.308 23 G CA -0.193 44.952 45.100 0.074 0.000 0.919 23 G HN 0.536 nan 8.290 nan 0.000 0.565 24 L N 0.703 121.968 121.223 0.070 0.000 2.367 24 L HA 0.548 4.838 4.340 -0.084 0.000 0.215 24 L C 1.679 178.595 176.870 0.077 0.000 1.197 24 L CA 1.297 56.192 54.840 0.092 0.000 0.836 24 L CB -0.020 42.103 42.059 0.106 0.000 1.242 24 L HN 1.362 nan 8.230 nan 0.000 0.553 25 T N -3.749 110.852 114.554 0.078 0.000 2.903 25 T HA 0.462 4.762 4.350 -0.084 0.000 0.299 25 T C -2.147 172.577 174.700 0.040 0.000 1.093 25 T CA -1.546 60.585 62.100 0.051 0.000 1.002 25 T CB 1.866 70.760 68.868 0.043 0.000 1.127 25 T HN 0.391 nan 8.240 nan 0.000 0.488 26 P HA -0.294 nan 4.420 nan 0.000 0.214 26 P C 1.163 178.469 177.300 0.010 0.000 1.164 26 P CA 2.177 65.288 63.100 0.019 0.000 0.942 26 P CB -0.136 31.572 31.700 0.014 0.000 0.791 27 D N -0.327 120.073 120.400 -0.001 0.000 2.218 27 D HA -0.198 4.392 4.640 -0.084 0.000 0.204 27 D C 2.034 178.300 176.300 -0.056 0.000 0.976 27 D CA 1.059 55.046 54.000 -0.022 0.000 0.853 27 D CB -0.894 39.893 40.800 -0.022 0.000 0.939 27 D HN 0.364 nan 8.370 nan 0.000 0.481 28 Q N 0.471 120.245 119.800 -0.044 0.000 2.079 28 Q HA -0.082 4.208 4.340 -0.084 0.000 0.200 28 Q C 2.659 178.611 176.000 -0.080 0.000 0.974 28 Q CA 1.064 56.795 55.803 -0.120 0.000 0.840 28 Q CB 0.073 28.843 28.738 0.053 0.000 0.898 28 Q HN 0.228 nan 8.270 nan 0.000 0.430 29 V N 1.551 121.492 119.914 0.045 0.000 2.220 29 V HA -0.320 3.750 4.120 -0.084 0.000 0.246 29 V C 2.035 178.151 176.094 0.037 0.000 1.049 29 V CA 2.144 64.492 62.300 0.080 0.000 1.003 29 V CB -0.649 31.203 31.823 0.049 0.000 0.634 29 V HN 0.329 nan 8.190 nan 0.000 0.444 30 K N -0.145 120.255 120.400 0.000 0.000 2.103 30 K HA -0.236 4.034 4.320 -0.084 0.000 0.207 30 K C 2.373 178.957 176.600 -0.027 0.000 1.048 30 K CA 1.725 58.006 56.287 -0.010 0.000 0.930 30 K CB -0.295 32.200 32.500 -0.009 0.000 0.716 30 K HN 0.342 nan 8.250 nan 0.000 0.444 31 R N 0.541 120.993 120.500 -0.080 0.000 2.075 31 R HA -0.140 4.150 4.340 -0.084 0.000 0.230 31 R C 2.323 178.582 176.300 -0.068 0.000 1.140 31 R CA 1.566 57.587 56.100 -0.131 0.000 0.928 31 R CB -0.180 29.965 30.300 -0.259 0.000 0.834 31 R HN 0.336 nan 8.270 nan 0.000 0.429 32 H N 0.507 119.653 119.070 0.127 0.000 2.387 32 H HA -0.157 4.349 4.556 -0.084 0.000 0.299 32 H C 2.060 177.540 175.328 0.252 0.000 1.099 32 H CA 1.380 57.600 56.048 0.287 0.000 1.315 32 H CB -0.399 29.579 29.762 0.360 0.000 1.380 32 H HN 0.177 nan 8.280 nan 0.000 0.513 33 L N 1.583 122.929 121.223 0.205 0.000 1.956 33 L HA -0.194 4.096 4.340 -0.084 0.000 0.216 33 L C 2.199 179.091 176.870 0.037 0.000 1.073 33 L CA 1.832 56.705 54.840 0.055 0.000 0.762 33 L CB -0.753 41.261 42.059 -0.074 0.000 0.889 33 L HN 0.176 nan 8.230 nan 0.000 0.433 34 E N -0.747 119.458 120.200 0.009 0.000 2.118 34 E HA -0.304 3.996 4.350 -0.084 0.000 0.195 34 E C 2.161 178.736 176.600 -0.043 0.000 0.992 34 E CA 1.509 57.905 56.400 -0.007 0.000 0.804 34 E CB -0.149 29.541 29.700 -0.017 0.000 0.741 34 E HN 0.461 nan 8.360 nan 0.000 0.458 35 K N -0.260 120.069 120.400 -0.119 0.000 2.288 35 K HA -0.123 4.147 4.320 -0.084 0.000 0.201 35 K C 0.726 177.079 176.600 -0.412 0.000 1.048 35 K CA 1.098 57.181 56.287 -0.341 0.000 0.956 35 K CB 0.216 32.364 32.500 -0.586 0.000 0.746 35 K HN 0.151 nan 8.250 nan 0.000 0.461 36 Y N -1.001 119.348 120.300 0.081 0.000 2.499 36 Y HA 0.320 4.820 4.550 -0.084 0.000 0.253 36 Y C 0.731 176.661 175.900 0.051 0.000 1.105 36 Y CA -0.123 58.020 58.100 0.072 0.000 1.240 36 Y CB 1.153 39.663 38.460 0.084 0.000 1.289 36 Y HN 0.165 nan 8.280 nan 0.000 0.534 37 G N 0.528 109.423 108.800 0.159 0.000 2.782 37 G HA2 -0.251 3.659 3.960 -0.084 0.000 0.228 37 G HA3 -0.251 3.659 3.960 -0.084 0.000 0.228 37 G C -0.959 173.985 174.900 0.074 0.000 1.372 37 G CA -0.662 44.513 45.100 0.126 0.000 0.862 37 G HN 0.390 nan 8.290 nan 0.000 0.547 38 H N -0.356 118.767 119.070 0.088 0.000 2.551 38 H HA 0.422 4.928 4.556 -0.084 0.000 0.358 38 H C 1.058 176.421 175.328 0.059 0.000 1.151 38 H CA 0.371 56.461 56.048 0.071 0.000 1.374 38 H CB 0.734 30.531 29.762 0.058 0.000 1.473 38 H HN 0.656 nan 8.280 nan 0.000 0.574 39 N N 2.263 121.052 118.700 0.149 0.000 2.744 39 N HA -0.010 4.680 4.740 -0.084 0.000 0.290 39 N C -1.136 174.429 175.510 0.091 0.000 1.206 39 N CA 0.237 53.337 53.050 0.084 0.000 1.119 39 N CB -0.161 38.348 38.487 0.037 0.000 1.449 39 N HN 0.564 nan 8.380 nan 0.000 0.514 40 E N 0.320 120.581 120.200 0.101 0.000 2.454 40 E HA 0.362 4.662 4.350 -0.084 0.000 0.279 40 E C -1.353 175.295 176.600 0.080 0.000 1.029 40 E CA -1.043 55.412 56.400 0.091 0.000 0.831 40 E CB 0.917 30.681 29.700 0.106 0.000 1.405 40 E HN 0.250 nan 8.360 nan 0.000 0.463 41 L N -1.275 119.992 121.223 0.072 0.000 2.341 41 L HA 0.695 4.984 4.340 -0.084 0.000 0.278 41 L C -2.376 174.526 176.870 0.053 0.000 1.005 41 L CA -1.555 53.320 54.840 0.058 0.000 0.818 41 L CB 0.390 42.478 42.059 0.048 0.000 1.259 41 L HN 0.330 nan 8.230 nan 0.000 0.418 42 P HA 0.305 nan 4.420 nan 0.000 0.323 42 P C -0.357 176.956 177.300 0.022 0.000 1.319 42 P CA -0.162 62.959 63.100 0.035 0.000 0.741 42 P CB 0.722 32.444 31.700 0.036 0.000 1.545 43 A N -0.950 121.879 122.820 0.014 0.000 2.585 43 A HA 0.114 4.384 4.320 -0.084 0.000 0.281 43 A C 1.332 178.920 177.584 0.005 0.000 0.945 43 A CA -0.259 51.781 52.037 0.004 0.000 1.031 43 A CB -0.443 18.554 19.000 -0.006 0.000 1.221 43 A HN 0.507 nan 8.150 nan 0.000 0.496 44 E N 0.927 121.134 120.200 0.012 0.000 2.219 44 E HA -0.192 4.108 4.350 -0.084 0.000 0.198 44 E C 0.125 176.729 176.600 0.008 0.000 0.998 44 E CA 1.125 57.532 56.400 0.013 0.000 0.818 44 E CB -0.302 29.409 29.700 0.017 0.000 0.741 44 E HN 0.751 nan 8.360 nan 0.000 0.477 45 E N 0.292 120.493 120.200 0.003 0.000 2.342 45 E HA 0.451 4.751 4.350 -0.084 0.000 0.257 45 E C 0.102 176.695 176.600 -0.012 0.000 1.150 45 E CA -0.090 56.307 56.400 -0.004 0.000 0.926 45 E CB 0.711 30.407 29.700 -0.006 0.000 1.074 45 E HN 0.259 nan 8.360 nan 0.000 0.449 46 G N 0.889 109.677 108.800 -0.021 0.000 2.349 46 G HA2 0.180 4.090 3.960 -0.084 0.000 0.281 46 G HA3 0.180 4.090 3.960 -0.084 0.000 0.281 46 G C 0.208 175.082 174.900 -0.044 0.000 1.182 46 G CA -0.182 44.896 45.100 -0.037 0.000 0.899 46 G HN 0.531 nan 8.290 nan 0.000 0.455 47 K N 0.468 120.840 120.400 -0.046 0.000 2.562 47 K HA 0.408 4.677 4.320 -0.084 0.000 0.201 47 K C 0.049 176.616 176.600 -0.055 0.000 1.131 47 K CA -0.427 55.832 56.287 -0.047 0.000 1.059 47 K CB 0.883 33.362 32.500 -0.035 0.000 0.913 47 K HN 0.314 nan 8.250 nan 0.000 0.563 48 S N 0.599 116.258 115.700 -0.068 0.000 2.537 48 S HA 0.703 5.123 4.470 -0.084 0.000 0.270 48 S C -1.783 172.740 174.600 -0.128 0.000 1.142 48 S CA -0.687 57.470 58.200 -0.072 0.000 0.870 48 S CB 1.165 64.343 63.200 -0.037 0.000 1.112 48 S HN 0.286 nan 8.310 nan 0.000 0.466 49 L N 1.846 122.976 121.223 -0.155 0.000 2.479 49 L HA 0.573 4.863 4.340 -0.084 0.000 0.255 49 L C -1.366 175.401 176.870 -0.171 0.000 1.026 49 L CA -1.042 53.602 54.840 -0.327 0.000 0.842 49 L CB 1.752 43.527 42.059 -0.473 0.000 1.444 49 L HN 0.897 nan 8.230 nan 0.000 0.409 50 W N 0.347 121.662 121.300 0.024 0.000 2.351 50 W HA 0.310 4.924 4.660 -0.076 0.000 0.421 50 W C 1.171 177.712 176.519 0.036 0.000 1.000 50 W CA -0.715 56.649 57.345 0.033 0.000 1.610 50 W CB -0.828 28.655 29.460 0.039 0.000 1.700 50 W HN 0.688 nan 8.180 nan 0.000 0.351 51 E N 2.155 122.439 120.200 0.138 0.000 2.197 51 E HA -0.296 4.004 4.350 -0.084 0.000 0.205 51 E C 0.481 177.168 176.600 0.144 0.000 1.029 51 E CA 1.072 57.532 56.400 0.099 0.000 0.828 51 E CB -0.481 29.269 29.700 0.084 0.000 0.737 51 E HN 0.586 nan 8.360 nan 0.000 0.464 52 L N 1.547 122.890 121.223 0.201 0.000 2.426 52 L HA 0.017 4.306 4.340 -0.084 0.000 0.271 52 L C 1.436 178.421 176.870 0.191 0.000 1.169 52 L CA -0.571 54.373 54.840 0.173 0.000 0.836 52 L CB 1.272 43.428 42.059 0.161 0.000 1.112 52 L HN -0.039 nan 8.230 nan 0.000 0.465 53 V N 3.158 123.143 119.914 0.119 0.000 2.591 53 V HA -0.191 3.879 4.120 -0.084 0.000 0.249 53 V C 1.958 178.120 176.094 0.114 0.000 1.053 53 V CA 1.408 63.772 62.300 0.105 0.000 1.068 53 V CB -0.237 31.603 31.823 0.029 0.000 0.689 53 V HN 0.883 nan 8.190 nan 0.000 0.462 54 I N -0.272 120.350 120.570 0.086 0.000 2.614 54 I HA -0.148 3.972 4.170 -0.084 0.000 0.258 54 I C 1.962 178.179 176.117 0.167 0.000 1.189 54 I CA 1.282 62.671 61.300 0.150 0.000 1.462 54 I CB -1.072 36.980 38.000 0.086 0.000 1.092 54 I HN 0.309 nan 8.210 nan 0.000 0.442 55 E N 0.770 121.027 120.200 0.096 0.000 2.204 55 E HA -0.264 4.035 4.350 -0.084 0.000 0.195 55 E C 2.009 178.567 176.600 -0.070 0.000 0.990 55 E CA 1.250 57.633 56.400 -0.028 0.000 0.821 55 E CB -0.242 29.385 29.700 -0.120 0.000 0.750 55 E HN 0.764 nan 8.360 nan 0.000 0.477 56 Q N -0.516 119.317 119.800 0.055 0.000 2.319 56 Q HA -0.018 4.272 4.340 -0.084 0.000 0.202 56 Q C 1.283 177.368 176.000 0.142 0.000 0.896 56 Q CA -0.027 55.826 55.803 0.083 0.000 0.942 56 Q CB 0.205 29.055 28.738 0.186 0.000 1.083 56 Q HN 0.227 nan 8.270 nan 0.000 0.510 57 F N 0.995 120.935 119.950 -0.017 0.000 2.220 57 F HA 0.119 4.602 4.527 -0.074 0.000 0.290 57 F C 1.952 177.729 175.800 -0.040 0.000 1.080 57 F CA 1.467 59.453 58.000 -0.022 0.000 1.318 57 F CB -0.016 38.969 39.000 -0.025 0.000 1.063 57 F HN 0.145 nan 8.300 nan 0.000 0.498 58 E N 0.390 120.528 120.200 -0.104 0.000 2.047 58 E HA -0.246 4.054 4.350 -0.084 0.000 0.191 58 E C 1.854 178.345 176.600 -0.182 0.000 0.987 58 E CA 1.570 57.839 56.400 -0.219 0.000 0.799 58 E CB -0.443 29.197 29.700 -0.101 0.000 0.752 58 E HN 0.533 nan 8.360 nan 0.000 0.449 59 D N 1.164 121.491 120.400 -0.122 0.000 2.221 59 D HA -0.221 4.369 4.640 -0.084 0.000 0.204 59 D C 2.060 178.305 176.300 -0.091 0.000 0.982 59 D CA 1.047 54.984 54.000 -0.105 0.000 0.857 59 D CB -0.418 40.317 40.800 -0.108 0.000 0.934 59 D HN 0.395 nan 8.370 nan 0.000 0.475 60 L N -0.830 120.333 121.223 -0.101 0.000 2.307 60 L HA 0.163 4.453 4.340 -0.084 0.000 0.211 60 L C 2.103 178.895 176.870 -0.130 0.000 1.099 60 L CA 0.826 55.616 54.840 -0.084 0.000 0.816 60 L CB -0.479 41.551 42.059 -0.049 0.000 0.952 60 L HN -0.012 nan 8.230 nan 0.000 0.455 61 L N -0.097 120.989 121.223 -0.227 0.000 2.027 61 L HA -0.101 4.189 4.340 -0.084 0.000 0.206 61 L C 2.598 179.376 176.870 -0.153 0.000 1.074 61 L CA 1.421 56.109 54.840 -0.253 0.000 0.745 61 L CB -0.871 40.949 42.059 -0.399 0.000 0.898 61 L HN 0.369 nan 8.230 nan 0.000 0.433 62 V N -3.003 116.832 119.914 -0.132 0.000 3.078 62 V HA -0.141 3.929 4.120 -0.084 0.000 0.265 62 V C 2.347 178.408 176.094 -0.054 0.000 1.122 62 V CA 1.133 63.383 62.300 -0.084 0.000 1.141 62 V CB -0.776 31.002 31.823 -0.074 0.000 0.735 62 V HN 0.368 nan 8.190 nan 0.000 0.498 63 R N -0.091 120.376 120.500 -0.054 0.000 2.064 63 R HA 0.300 4.590 4.340 -0.084 0.000 0.221 63 R C 2.351 178.642 176.300 -0.015 0.000 1.136 63 R CA 1.493 57.575 56.100 -0.031 0.000 0.980 63 R CB -0.256 30.026 30.300 -0.029 0.000 0.876 63 R HN 0.443 nan 8.270 nan 0.000 0.437 64 I N 1.337 121.900 120.570 -0.012 0.000 2.493 64 I HA -0.252 3.868 4.170 -0.084 0.000 0.254 64 I C 2.288 178.455 176.117 0.083 0.000 1.160 64 I CA 0.616 61.937 61.300 0.034 0.000 1.445 64 I CB -0.017 38.014 38.000 0.051 0.000 1.086 64 I HN 0.139 nan 8.210 nan 0.000 0.433 65 L N 0.703 121.948 121.223 0.037 0.000 2.046 65 L HA -0.208 4.082 4.340 -0.084 0.000 0.208 65 L C 2.253 179.156 176.870 0.056 0.000 1.077 65 L CA 1.705 56.577 54.840 0.053 0.000 0.747 65 L CB -0.530 41.513 42.059 -0.026 0.000 0.896 65 L HN 0.202 nan 8.230 nan 0.000 0.432 66 L N -1.040 120.195 121.223 0.019 0.000 2.046 66 L HA -0.195 4.094 4.340 -0.084 0.000 0.208 66 L C 2.484 179.362 176.870 0.014 0.000 1.077 66 L CA 1.777 56.622 54.840 0.007 0.000 0.747 66 L CB -0.443 41.609 42.059 -0.011 0.000 0.896 66 L HN 0.485 nan 8.230 nan 0.000 0.432 67 L N 0.853 122.084 121.223 0.014 0.000 2.021 67 L HA -0.222 4.067 4.340 -0.084 0.000 0.215 67 L C 2.565 179.434 176.870 -0.002 0.000 1.074 67 L CA 2.345 57.184 54.840 -0.003 0.000 0.760 67 L CB -1.291 40.764 42.059 -0.008 0.000 0.889 67 L HN 0.251 nan 8.230 nan 0.000 0.433 68 A N -0.279 122.563 122.820 0.037 0.000 1.940 68 A HA -0.072 4.197 4.320 -0.084 0.000 0.219 68 A C 2.388 180.010 177.584 0.064 0.000 1.176 68 A CA 1.918 53.981 52.037 0.043 0.000 0.631 68 A CB -1.244 17.860 19.000 0.172 0.000 0.814 68 A HN 0.720 nan 8.150 nan 0.000 0.446 69 A N -2.103 120.761 122.820 0.074 0.000 2.206 69 A HA 0.098 4.368 4.320 -0.084 0.000 0.211 69 A C 1.782 179.450 177.584 0.140 0.000 1.158 69 A CA 1.200 53.300 52.037 0.104 0.000 0.761 69 A CB -0.721 18.317 19.000 0.063 0.000 0.801 69 A HN 0.581 nan 8.150 nan 0.000 0.473 70 C N -1.627 117.701 119.300 0.046 0.000 2.912 70 C HA 0.390 4.800 4.460 -0.084 0.000 0.274 70 C C 2.089 176.965 174.990 -0.190 0.000 1.248 70 C CA -0.062 58.947 59.018 -0.014 0.000 1.694 70 C CB -0.781 26.939 27.740 -0.033 0.000 2.024 70 C HN 0.647 nan 8.230 nan 0.000 0.605 71 I N -0.318 120.182 120.570 -0.116 0.000 2.927 71 I HA -0.050 4.070 4.170 -0.084 0.000 0.268 71 I C 2.534 178.590 176.117 -0.102 0.000 1.153 71 I CA 0.597 61.815 61.300 -0.136 0.000 1.459 71 I CB -0.230 37.717 38.000 -0.088 0.000 1.149 71 I HN 0.216 nan 8.210 nan 0.000 0.443 72 S N 1.867 117.565 115.700 -0.003 0.000 2.444 72 S HA -0.286 4.134 4.470 -0.084 0.000 0.225 72 S C 2.122 176.797 174.600 0.125 0.000 1.042 72 S CA 2.619 60.875 58.200 0.093 0.000 1.132 72 S CB -0.549 62.756 63.200 0.175 0.000 1.099 72 S HN 0.463 nan 8.310 nan 0.000 0.417 73 F N 1.807 121.831 119.950 0.123 0.000 2.126 73 F HA -0.004 4.449 4.527 -0.123 0.000 0.299 73 F C 2.049 178.013 175.800 0.273 0.000 1.096 73 F CA 1.277 59.398 58.000 0.201 0.000 1.255 73 F CB -1.191 37.932 39.000 0.205 0.000 0.997 73 F HN 0.107 nan 8.300 nan 0.000 0.479 74 V N 2.408 121.755 119.914 -0.945 0.000 2.231 74 V HA -0.364 3.706 4.120 -0.084 0.000 0.248 74 V C 2.769 178.872 176.094 0.015 0.000 1.054 74 V CA 2.414 64.313 62.300 -0.669 0.000 1.015 74 V CB -1.134 30.242 31.823 -0.745 0.000 0.638 74 V HN 0.627 nan 8.190 nan 0.000 0.444 75 L N 0.314 121.551 121.223 0.024 0.000 2.103 75 L HA -0.030 4.260 4.340 -0.084 0.000 0.215 75 L C 1.052 178.121 176.870 0.332 0.000 1.080 75 L CA 2.162 57.092 54.840 0.150 0.000 0.764 75 L CB -1.088 41.017 42.059 0.076 0.000 0.890 75 L HN 0.257 nan 8.230 nan 0.000 0.435 76 A N -1.247 121.790 122.820 0.362 0.000 2.741 76 A HA 0.468 4.738 4.320 -0.084 0.000 0.298 76 A C -0.141 177.667 177.584 0.374 0.000 1.153 76 A CA -0.174 52.053 52.037 0.316 0.000 0.816 76 A CB -0.617 18.350 19.000 -0.055 0.000 1.396 76 A HN 0.490 nan 8.150 nan 0.000 0.407 77 W N 1.830 123.334 121.300 0.340 0.000 3.256 77 W HA 0.435 5.050 4.660 -0.075 0.000 0.269 77 W C 0.061 176.777 176.519 0.328 0.000 1.310 77 W CA -0.496 57.082 57.345 0.388 0.000 1.673 77 W CB -0.352 29.403 29.460 0.493 0.000 1.115 77 W HN 0.515 nan 8.180 nan 0.000 0.686 78 F N 1.445 121.230 119.950 -0.275 0.000 2.411 78 F HA 0.687 5.161 4.527 -0.087 0.000 0.352 78 F C 0.004 175.718 175.800 -0.142 0.000 1.123 78 F CA -1.216 56.614 58.000 -0.284 0.000 1.044 78 F CB 0.929 39.620 39.000 -0.514 0.000 1.135 78 F HN -0.118 nan 8.300 nan 0.000 0.461 79 E N 2.784 122.883 120.200 -0.169 0.000 2.355 79 E HA 0.184 4.484 4.350 -0.084 0.000 0.261 79 E C 0.218 176.763 176.600 -0.091 0.000 0.943 79 E CA -0.865 55.415 56.400 -0.200 0.000 0.806 79 E CB 1.811 31.443 29.700 -0.113 0.000 1.286 79 E HN 0.747 nan 8.360 nan 0.000 0.424 80 E N 0.472 120.620 120.200 -0.086 0.000 2.118 80 E HA -0.121 4.179 4.350 -0.084 0.000 0.195 80 E C 0.839 177.423 176.600 -0.026 0.000 0.992 80 E CA 0.978 57.352 56.400 -0.043 0.000 0.804 80 E CB -0.055 29.617 29.700 -0.047 0.000 0.741 80 E HN 0.502 nan 8.360 nan 0.000 0.458 81 G N 1.028 109.811 108.800 -0.030 0.000 4.198 81 G HA2 0.139 4.049 3.960 -0.084 0.000 0.282 81 G HA3 0.139 4.049 3.960 -0.084 0.000 0.282 81 G C -0.215 174.677 174.900 -0.013 0.000 1.262 81 G CA -0.387 44.701 45.100 -0.019 0.000 1.473 81 G HN -0.030 nan 8.290 nan 0.000 0.624 82 E N 0.720 120.916 120.200 -0.006 0.000 3.601 82 E HA -0.336 3.964 4.350 -0.084 0.000 0.482 82 E C 0.835 177.444 176.600 0.015 0.000 1.651 82 E CA 2.271 58.675 56.400 0.007 0.000 1.195 82 E CB -0.591 29.103 29.700 -0.009 0.000 1.154 82 E HN 0.626 nan 8.360 nan 0.000 0.376 83 E N 1.061 121.258 120.200 -0.006 0.000 2.283 83 E HA 0.322 4.622 4.350 -0.084 0.000 0.258 83 E C 0.174 176.783 176.600 0.015 0.000 0.893 83 E CA 0.192 56.601 56.400 0.015 0.000 0.798 83 E CB 1.085 30.741 29.700 -0.073 0.000 1.242 83 E HN 0.392 nan 8.360 nan 0.000 0.414 84 T N 0.369 114.951 114.554 0.048 0.000 2.996 84 T HA -0.072 4.227 4.350 -0.084 0.000 0.271 84 T C 1.500 176.240 174.700 0.068 0.000 1.126 84 T CA 1.042 63.168 62.100 0.043 0.000 1.103 84 T CB -0.780 68.112 68.868 0.040 0.000 0.870 84 T HN 0.706 nan 8.240 nan 0.000 0.528 85 I N 0.152 120.795 120.570 0.123 0.000 5.196 85 I HA -0.277 3.842 4.170 -0.084 0.000 0.164 85 I C 1.181 177.399 176.117 0.168 0.000 1.758 85 I CA 1.322 62.733 61.300 0.185 0.000 1.335 85 I CB -2.302 35.763 38.000 0.107 0.000 3.036 85 I HN 0.639 nan 8.210 nan 0.000 0.230 86 T N -2.658 111.971 114.554 0.126 0.000 3.215 86 T HA 0.749 5.049 4.350 -0.084 0.000 0.271 86 T C 0.581 175.343 174.700 0.104 0.000 1.012 86 T CA 0.396 62.556 62.100 0.100 0.000 0.899 86 T CB 1.059 69.966 68.868 0.066 0.000 1.089 86 T HN 0.573 nan 8.240 nan 0.000 0.552 87 A N -0.295 122.610 122.820 0.143 0.000 2.709 87 A HA 0.472 4.742 4.320 -0.084 0.000 0.212 87 A C 0.686 178.383 177.584 0.189 0.000 1.280 87 A CA -0.291 51.835 52.037 0.148 0.000 1.034 87 A CB -0.408 18.675 19.000 0.138 0.000 1.255 87 A HN 0.406 nan 8.150 nan 0.000 0.547 88 F N 0.806 120.774 119.950 0.030 0.000 2.500 88 F HA 0.144 4.643 4.527 -0.046 0.000 0.285 88 F C 1.630 177.403 175.800 -0.044 0.000 1.088 88 F CA 1.602 59.572 58.000 -0.049 0.000 1.432 88 F CB 0.529 39.526 39.000 -0.004 0.000 1.131 88 F HN 0.091 nan 8.300 nan 0.000 0.582 89 V N -2.191 117.667 119.914 -0.094 0.000 3.623 89 V HA 0.085 4.155 4.120 -0.084 0.000 0.271 89 V C 1.844 177.951 176.094 0.022 0.000 1.248 89 V CA 0.859 63.160 62.300 0.002 0.000 1.156 89 V CB -0.620 31.266 31.823 0.105 0.000 0.870 89 V HN 0.339 nan 8.190 nan 0.000 0.453 90 E N 1.494 121.674 120.200 -0.034 0.000 2.086 90 E HA -0.202 4.098 4.350 -0.084 0.000 0.200 90 E C -0.143 176.415 176.600 -0.070 0.000 1.012 90 E CA 2.389 58.780 56.400 -0.015 0.000 0.812 90 E CB -1.134 28.580 29.700 0.023 0.000 0.743 90 E HN 0.553 nan 8.360 nan 0.000 0.453 91 P HA -0.165 nan 4.420 nan 0.000 0.216 91 P C 0.846 177.960 177.300 -0.309 0.000 1.150 91 P CA 1.286 64.212 63.100 -0.291 0.000 0.843 91 P CB -0.110 31.296 31.700 -0.490 0.000 0.787 92 F N -1.836 118.033 119.950 -0.136 0.000 2.558 92 F HA -0.072 4.467 4.527 0.020 0.000 0.298 92 F C 2.120 177.903 175.800 -0.028 0.000 1.119 92 F CA 0.688 58.633 58.000 -0.092 0.000 1.451 92 F CB -1.144 37.775 39.000 -0.136 0.000 1.091 92 F HN -0.228 nan 8.300 nan 0.000 0.563 93 V N 0.503 120.492 119.914 0.126 0.000 2.326 93 V HA -0.195 3.875 4.120 -0.084 0.000 0.238 93 V C 2.428 178.568 176.094 0.078 0.000 1.038 93 V CA 1.432 63.800 62.300 0.114 0.000 1.032 93 V CB -0.774 31.092 31.823 0.071 0.000 0.675 93 V HN 0.304 nan 8.190 nan 0.000 0.467 94 I N 0.050 120.637 120.570 0.029 0.000 2.145 94 I HA -0.273 3.847 4.170 -0.084 0.000 0.244 94 I C 2.250 178.388 176.117 0.034 0.000 1.075 94 I CA 2.040 63.352 61.300 0.020 0.000 1.332 94 I CB -1.032 36.967 38.000 -0.003 0.000 1.033 94 I HN 0.254 nan 8.210 nan 0.000 0.410 95 L N -0.332 120.907 121.223 0.027 0.000 2.131 95 L HA -0.075 4.214 4.340 -0.084 0.000 0.210 95 L C 2.226 179.137 176.870 0.069 0.000 1.092 95 L CA 1.517 56.378 54.840 0.034 0.000 0.759 95 L CB -0.554 41.516 42.059 0.018 0.000 0.903 95 L HN 0.443 nan 8.230 nan 0.000 0.435 96 L N -1.223 120.061 121.223 0.101 0.000 2.291 96 L HA -0.103 4.187 4.340 -0.084 0.000 0.214 96 L C 1.996 178.945 176.870 0.132 0.000 1.120 96 L CA 1.310 56.225 54.840 0.125 0.000 0.799 96 L CB -0.268 41.885 42.059 0.157 0.000 0.925 96 L HN 0.184 nan 8.230 nan 0.000 0.446 97 I N -1.197 119.447 120.570 0.122 0.000 2.429 97 I HA -0.127 3.993 4.170 -0.084 0.000 0.247 97 I C 2.301 178.462 176.117 0.073 0.000 1.099 97 I CA 0.860 62.234 61.300 0.124 0.000 1.422 97 I CB -1.111 36.964 38.000 0.124 0.000 1.112 97 I HN 0.169 nan 8.210 nan 0.000 0.430 98 L N 0.498 121.749 121.223 0.047 0.000 2.129 98 L HA -0.247 4.042 4.340 -0.084 0.000 0.212 98 L C 2.509 179.398 176.870 0.032 0.000 1.087 98 L CA 1.142 55.996 54.840 0.023 0.000 0.757 98 L CB -0.562 41.503 42.059 0.010 0.000 0.896 98 L HN 0.196 nan 8.230 nan 0.000 0.434 99 I N 0.180 120.781 120.570 0.051 0.000 2.315 99 I HA -0.199 3.921 4.170 -0.084 0.000 0.248 99 I C 2.809 178.965 176.117 0.066 0.000 1.117 99 I CA 1.556 62.891 61.300 0.058 0.000 1.404 99 I CB -1.436 36.605 38.000 0.070 0.000 1.071 99 I HN 0.162 nan 8.210 nan 0.000 0.419 100 A N 1.025 123.890 122.820 0.074 0.000 1.897 100 A HA -0.155 4.114 4.320 -0.084 0.000 0.215 100 A C 2.049 179.659 177.584 0.043 0.000 1.181 100 A CA 1.282 53.361 52.037 0.070 0.000 0.620 100 A CB -0.636 18.414 19.000 0.084 0.000 0.821 100 A HN 0.384 nan 8.150 nan 0.000 0.443 101 N N 0.685 119.402 118.700 0.029 0.000 2.192 101 N HA -0.167 4.523 4.740 -0.084 0.000 0.188 101 N C 1.789 177.310 175.510 0.018 0.000 1.013 101 N CA 1.540 54.595 53.050 0.009 0.000 0.863 101 N CB -0.421 38.063 38.487 -0.005 0.000 0.990 101 N HN 0.527 nan 8.380 nan 0.000 0.430 102 A N 1.650 124.488 122.820 0.029 0.000 1.835 102 A HA 0.032 4.302 4.320 -0.084 0.000 0.213 102 A C 2.227 179.855 177.584 0.074 0.000 1.210 102 A CA 0.597 52.654 52.037 0.034 0.000 0.605 102 A CB -0.825 18.193 19.000 0.029 0.000 0.860 102 A HN 0.266 nan 8.150 nan 0.000 0.447 103 I N 0.128 120.755 120.570 0.095 0.000 2.367 103 I HA -0.255 3.865 4.170 -0.084 0.000 0.256 103 I C 1.843 178.102 176.117 0.236 0.000 1.132 103 I CA 1.804 63.199 61.300 0.157 0.000 1.397 103 I CB 0.061 38.159 38.000 0.163 0.000 1.074 103 I HN 0.169 nan 8.210 nan 0.000 0.435 104 V N 0.944 120.951 119.914 0.154 0.000 2.331 104 V HA -0.025 4.044 4.120 -0.084 0.000 0.242 104 V C 2.646 178.842 176.094 0.169 0.000 1.034 104 V CA 1.616 64.002 62.300 0.145 0.000 1.027 104 V CB -1.323 30.512 31.823 0.019 0.000 0.667 104 V HN 0.563 nan 8.190 nan 0.000 0.457 105 G N 0.647 109.506 108.800 0.099 0.000 2.501 105 G HA2 -0.164 3.746 3.960 -0.084 0.000 0.220 105 G HA3 -0.164 3.746 3.960 -0.084 0.000 0.220 105 G C 1.387 176.345 174.900 0.097 0.000 1.114 105 G CA 1.531 46.676 45.100 0.076 0.000 0.757 105 G HN 0.623 nan 8.290 nan 0.000 0.559 106 V N -4.490 115.500 119.914 0.126 0.000 3.621 106 V HA 0.290 4.359 4.120 -0.084 0.000 0.285 106 V C 1.802 177.983 176.094 0.144 0.000 1.346 106 V CA -0.195 62.169 62.300 0.106 0.000 1.104 106 V CB -0.462 31.402 31.823 0.069 0.000 0.913 106 V HN 0.459 nan 8.190 nan 0.000 0.432 107 W N 2.787 124.104 121.300 0.028 0.000 2.481 107 W HA -0.031 4.577 4.660 -0.088 0.000 0.293 107 W C 2.312 178.860 176.519 0.048 0.000 1.201 107 W CA 2.056 59.423 57.345 0.037 0.000 1.328 107 W CB 0.087 29.565 29.460 0.031 0.000 1.112 107 W HN 0.586 nan 8.180 nan 0.000 0.546 108 Q N -0.442 119.573 119.800 0.358 0.000 2.245 108 Q HA -0.121 4.169 4.340 -0.084 0.000 0.201 108 Q C 1.782 177.869 176.000 0.146 0.000 0.955 108 Q CA 1.226 57.171 55.803 0.237 0.000 0.870 108 Q CB -0.798 28.035 28.738 0.157 0.000 0.945 108 Q HN 0.271 nan 8.270 nan 0.000 0.461 109 E N 0.546 120.819 120.200 0.123 0.000 2.150 109 E HA -0.133 4.167 4.350 -0.084 0.000 0.193 109 E C 2.005 178.645 176.600 0.067 0.000 0.985 109 E CA 0.524 56.977 56.400 0.089 0.000 0.814 109 E CB 0.291 30.043 29.700 0.087 0.000 0.752 109 E HN 0.279 nan 8.360 nan 0.000 0.466 110 R N 0.392 120.922 120.500 0.051 0.000 2.056 110 R HA -0.019 4.271 4.340 -0.084 0.000 0.227 110 R C 1.981 178.306 176.300 0.043 0.000 1.149 110 R CA 1.044 57.152 56.100 0.014 0.000 0.937 110 R CB -1.219 29.043 30.300 -0.064 0.000 0.835 110 R HN 0.319 nan 8.270 nan 0.000 0.430 111 N N 1.058 119.813 118.700 0.092 0.000 2.091 111 N HA -0.219 4.471 4.740 -0.084 0.000 0.193 111 N C 1.784 177.342 175.510 0.080 0.000 1.021 111 N CA 1.350 54.488 53.050 0.146 0.000 0.862 111 N CB -0.163 38.492 38.487 0.279 0.000 1.018 111 N HN 0.239 nan 8.380 nan 0.000 0.429 112 A N 2.011 124.865 122.820 0.056 0.000 1.902 112 A HA -0.201 4.069 4.320 -0.084 0.000 0.217 112 A C 1.975 179.556 177.584 -0.005 0.000 1.181 112 A CA 1.676 53.716 52.037 0.005 0.000 0.623 112 A CB -0.418 18.590 19.000 0.013 0.000 0.818 112 A HN 0.606 nan 8.150 nan 0.000 0.443 113 E N -1.022 119.185 120.200 0.012 0.000 2.479 113 E HA 0.065 4.364 4.350 -0.084 0.000 0.193 113 E C 1.165 177.765 176.600 -0.000 0.000 1.049 113 E CA 0.435 56.836 56.400 0.002 0.000 0.870 113 E CB -0.346 29.361 29.700 0.012 0.000 0.944 113 E HN 0.727 nan 8.360 nan 0.000 0.492 114 N N 0.666 119.372 118.700 0.011 0.000 2.395 114 N HA 0.039 4.729 4.740 -0.084 0.000 0.175 114 N C 1.754 177.267 175.510 0.004 0.000 1.029 114 N CA 0.610 53.670 53.050 0.016 0.000 0.897 114 N CB 0.131 38.645 38.487 0.044 0.000 0.991 114 N HN 0.226 nan 8.380 nan 0.000 0.441 115 A N 1.143 123.954 122.820 -0.016 0.000 1.975 115 A HA 0.018 4.288 4.320 -0.084 0.000 0.215 115 A C 1.957 179.505 177.584 -0.060 0.000 1.170 115 A CA 0.457 52.462 52.037 -0.053 0.000 0.656 115 A CB -0.187 18.746 19.000 -0.112 0.000 0.821 115 A HN 0.108 nan 8.150 nan 0.000 0.449 116 I N 0.508 121.046 120.570 -0.053 0.000 2.163 116 I HA -0.204 3.916 4.170 -0.084 0.000 0.243 116 I C 2.167 178.250 176.117 -0.056 0.000 1.085 116 I CA 1.369 62.633 61.300 -0.060 0.000 1.347 116 I CB -1.212 36.759 38.000 -0.050 0.000 1.044 116 I HN 0.372 nan 8.210 nan 0.000 0.408 117 E N 0.821 120.999 120.200 -0.037 0.000 2.265 117 E HA -0.136 4.164 4.350 -0.084 0.000 0.196 117 E C 2.226 178.805 176.600 -0.035 0.000 0.996 117 E CA 1.122 57.504 56.400 -0.031 0.000 0.832 117 E CB -0.070 29.620 29.700 -0.017 0.000 0.756 117 E HN 0.484 nan 8.360 nan 0.000 0.491 118 A N 0.792 123.591 122.820 -0.035 0.000 2.015 118 A HA -0.064 4.206 4.320 -0.084 0.000 0.219 118 A C 1.800 179.364 177.584 -0.033 0.000 1.163 118 A CA 0.548 52.566 52.037 -0.031 0.000 0.646 118 A CB -0.267 18.713 19.000 -0.033 0.000 0.806 118 A HN 0.160 nan 8.150 nan 0.000 0.448 119 L N -0.661 120.532 121.223 -0.049 0.000 2.998 119 L HA 0.215 4.505 4.340 -0.084 0.000 0.234 119 L C 0.923 177.761 176.870 -0.054 0.000 1.350 119 L CA 0.078 54.884 54.840 -0.057 0.000 1.202 119 L CB -0.127 41.875 42.059 -0.096 0.000 1.583 119 L HN 0.223 nan 8.230 nan 0.000 0.456 120 K N 0.621 121.026 120.400 0.009 0.000 2.414 120 K HA 0.173 4.443 4.320 -0.084 0.000 0.204 120 K C -0.100 176.635 176.600 0.225 0.000 1.026 120 K CA 0.034 56.377 56.287 0.095 0.000 1.108 120 K CB 0.613 33.138 32.500 0.041 0.000 0.855 120 K HN 0.370 nan 8.250 nan 0.000 0.517 121 E N 1.090 121.390 120.200 0.167 0.000 2.561 121 E HA 0.095 4.395 4.350 -0.084 0.000 0.225 121 E C -0.586 176.135 176.600 0.202 0.000 1.035 121 E CA -0.386 56.094 56.400 0.135 0.000 0.904 121 E CB 0.391 30.122 29.700 0.051 0.000 1.291 121 E HN 0.270 nan 8.360 nan 0.000 0.444 122 Y N -0.439 119.850 120.300 -0.018 0.000 3.056 122 Y HA 0.447 4.947 4.550 -0.083 0.000 0.294 122 Y C 0.169 176.062 175.900 -0.011 0.000 1.275 122 Y CA -1.112 56.978 58.100 -0.016 0.000 1.148 122 Y CB 0.318 38.768 38.460 -0.017 0.000 1.085 122 Y HN -0.125 nan 8.280 nan 0.000 0.747 123 E N 3.427 123.508 120.200 -0.197 0.000 2.026 123 E HA 0.304 4.604 4.350 -0.084 0.000 0.253 123 E C -2.451 173.892 176.600 -0.427 0.000 1.056 123 E CA -1.970 54.298 56.400 -0.220 0.000 0.927 123 E CB 0.419 30.083 29.700 -0.060 0.000 1.172 123 E HN 0.364 nan 8.360 nan 0.000 0.445 124 P HA 0.162 nan 4.420 nan 0.000 0.285 124 P C 0.548 177.749 177.300 -0.165 0.000 1.285 124 P CA -0.432 62.480 63.100 -0.314 0.000 0.854 124 P CB 1.665 33.203 31.700 -0.269 0.000 1.180 125 E N 1.161 121.285 120.200 -0.127 0.000 2.169 125 E HA -0.212 4.088 4.350 -0.084 0.000 0.202 125 E C 0.812 177.375 176.600 -0.062 0.000 1.016 125 E CA 1.417 57.771 56.400 -0.077 0.000 0.817 125 E CB -0.658 29.007 29.700 -0.058 0.000 0.736 125 E HN 0.330 nan 8.360 nan 0.000 0.462 126 M N -1.481 118.082 119.600 -0.062 0.000 2.751 126 M HA -0.155 4.274 4.480 -0.084 0.000 0.199 126 M C 0.623 176.903 176.300 -0.033 0.000 0.550 126 M CA 0.966 56.239 55.300 -0.045 0.000 0.640 126 M CB -2.883 29.689 32.600 -0.046 0.000 2.351 126 M HN 0.250 nan 8.290 nan 0.000 0.613 127 G N 1.456 110.237 108.800 -0.031 0.000 2.905 127 G HA2 0.055 3.965 3.960 -0.084 0.000 0.233 127 G HA3 0.055 3.965 3.960 -0.084 0.000 0.233 127 G C 0.336 175.228 174.900 -0.013 0.000 1.243 127 G CA -0.155 44.931 45.100 -0.022 0.000 0.856 127 G HN 0.547 nan 8.290 nan 0.000 0.594 128 K N -0.799 119.602 120.400 0.002 0.000 2.123 128 K HA 0.626 4.896 4.320 -0.084 0.000 0.259 128 K C -0.111 176.521 176.600 0.054 0.000 0.960 128 K CA -0.736 55.562 56.287 0.018 0.000 0.872 128 K CB 2.206 34.729 32.500 0.038 0.000 1.079 128 K HN 0.584 nan 8.250 nan 0.000 0.440 129 V N -1.215 118.736 119.914 0.063 0.000 3.216 129 V HA 0.504 4.574 4.120 -0.084 0.000 0.302 129 V C -1.965 174.221 176.094 0.154 0.000 1.286 129 V CA -1.049 61.330 62.300 0.132 0.000 1.048 129 V CB 1.335 33.188 31.823 0.050 0.000 1.081 129 V HN 0.637 nan 8.190 nan 0.000 0.442 130 Y N 2.249 122.532 120.300 -0.029 0.000 2.335 130 Y HA 0.885 5.385 4.550 -0.084 0.000 0.338 130 Y C 0.523 176.415 175.900 -0.013 0.000 0.977 130 Y CA -0.745 57.344 58.100 -0.018 0.000 1.114 130 Y CB 1.790 40.239 38.460 -0.018 0.000 1.182 130 Y HN 0.618 nan 8.280 nan 0.000 0.463 131 R N 0.659 121.210 120.500 0.084 0.000 2.930 131 R HA 0.710 5.000 4.340 -0.084 0.000 0.257 131 R C 0.691 177.022 176.300 0.053 0.000 1.107 131 R CA -0.454 55.683 56.100 0.061 0.000 0.999 131 R CB 1.154 31.473 30.300 0.031 0.000 1.209 131 R HN 0.717 nan 8.270 nan 0.000 0.486 132 A N 1.359 124.208 122.820 0.047 0.000 1.834 132 A HA -0.235 4.035 4.320 -0.084 0.000 0.216 132 A C 1.447 179.045 177.584 0.024 0.000 1.203 132 A CA 2.252 54.313 52.037 0.040 0.000 0.621 132 A CB -0.967 18.055 19.000 0.037 0.000 0.841 132 A HN 0.908 nan 8.150 nan 0.000 0.446 133 D N -0.178 120.231 120.400 0.016 0.000 2.339 133 D HA -0.265 4.325 4.640 -0.084 0.000 0.189 133 D C 1.190 177.489 176.300 -0.002 0.000 1.022 133 D CA 1.883 55.887 54.000 0.006 0.000 0.884 133 D CB -0.243 40.558 40.800 0.003 0.000 0.916 133 D HN 0.555 nan 8.370 nan 0.000 0.453 134 R N -0.312 120.180 120.500 -0.014 0.000 2.888 134 R HA 0.236 4.526 4.340 -0.084 0.000 0.266 134 R C 0.594 176.874 176.300 -0.033 0.000 1.020 134 R CA -0.799 55.283 56.100 -0.029 0.000 0.963 134 R CB 1.580 31.849 30.300 -0.053 0.000 1.197 134 R HN -0.295 nan 8.270 nan 0.000 0.481 135 K N 0.122 120.502 120.400 -0.033 0.000 2.284 135 K HA 0.085 4.355 4.320 -0.084 0.000 0.198 135 K C 0.661 177.215 176.600 -0.077 0.000 1.048 135 K CA 0.578 56.858 56.287 -0.012 0.000 0.987 135 K CB 0.246 32.753 32.500 0.012 0.000 0.800 135 K HN 0.641 nan 8.250 nan 0.000 0.486 136 S N 0.331 115.951 115.700 -0.133 0.000 2.652 136 S HA 0.349 4.769 4.470 -0.084 0.000 0.270 136 S C 0.809 175.151 174.600 -0.431 0.000 1.243 136 S CA -0.921 57.153 58.200 -0.210 0.000 0.999 136 S CB 1.217 64.344 63.200 -0.121 0.000 0.973 136 S HN -0.105 nan 8.310 nan 0.000 0.544 137 V N 1.517 121.115 119.914 -0.527 0.000 3.524 137 V HA 0.123 4.193 4.120 -0.084 0.000 0.303 137 V C 0.307 176.208 176.094 -0.322 0.000 1.130 137 V CA 0.106 62.038 62.300 -0.613 0.000 1.225 137 V CB -0.115 31.524 31.823 -0.306 0.000 1.056 137 V HN 0.866 nan 8.190 nan 0.000 0.495 138 Q N 1.339 121.000 119.800 -0.232 0.000 2.444 138 Q HA 0.316 4.606 4.340 -0.084 0.000 0.251 138 Q C -0.915 175.041 176.000 -0.074 0.000 0.939 138 Q CA -0.625 55.102 55.803 -0.126 0.000 0.740 138 Q CB 1.775 30.451 28.738 -0.103 0.000 1.308 138 Q HN 0.541 nan 8.270 nan 0.000 0.461 139 R N 2.306 122.770 120.500 -0.060 0.000 2.459 139 R HA 0.197 4.487 4.340 -0.084 0.000 0.301 139 R C 0.185 176.466 176.300 -0.032 0.000 1.286 139 R CA -0.121 55.954 56.100 -0.041 0.000 1.046 139 R CB -0.616 29.659 30.300 -0.040 0.000 1.071 139 R HN 0.443 nan 8.270 nan 0.000 0.512 140 I N 1.194 121.749 120.570 -0.025 0.000 2.863 140 I HA 0.218 4.338 4.170 -0.084 0.000 0.311 140 I C -0.111 175.997 176.117 -0.015 0.000 1.026 140 I CA -1.215 60.076 61.300 -0.015 0.000 1.077 140 I CB 1.279 39.275 38.000 -0.007 0.000 1.262 140 I HN 0.308 nan 8.210 nan 0.000 0.461 141 K N 4.641 125.037 120.400 -0.007 0.000 2.448 141 K HA 0.218 4.488 4.320 -0.084 0.000 0.278 141 K C 1.061 177.656 176.600 -0.008 0.000 1.009 141 K CA 0.539 56.818 56.287 -0.013 0.000 0.995 141 K CB 0.313 32.814 32.500 0.002 0.000 0.917 141 K HN 0.708 nan 8.250 nan 0.000 0.481 142 A N 4.208 127.010 122.820 -0.030 0.000 1.917 142 A HA -0.254 4.016 4.320 -0.084 0.000 0.219 142 A C 2.059 179.649 177.584 0.009 0.000 1.182 142 A CA 1.839 53.861 52.037 -0.024 0.000 0.633 142 A CB -0.527 18.444 19.000 -0.048 0.000 0.819 142 A HN 0.927 nan 8.150 nan 0.000 0.448 143 R N -0.835 119.686 120.500 0.034 0.000 2.148 143 R HA -0.077 4.213 4.340 -0.084 0.000 0.227 143 R C 0.395 176.802 176.300 0.178 0.000 1.103 143 R CA 1.519 57.686 56.100 0.112 0.000 0.983 143 R CB -0.641 29.729 30.300 0.117 0.000 0.874 143 R HN 0.253 nan 8.270 nan 0.000 0.451 144 D N 0.928 121.407 120.400 0.132 0.000 2.363 144 D HA 0.137 4.727 4.640 -0.084 0.000 0.226 144 D C 0.311 176.627 176.300 0.027 0.000 1.020 144 D CA 0.490 54.556 54.000 0.111 0.000 0.892 144 D CB 0.104 40.956 40.800 0.087 0.000 0.900 144 D HN 0.259 nan 8.370 nan 0.000 0.531 145 I N 1.657 122.235 120.570 0.013 0.000 2.352 145 I HA 0.066 4.186 4.170 -0.084 0.000 0.290 145 I C 0.294 176.384 176.117 -0.045 0.000 1.036 145 I CA -0.695 60.592 61.300 -0.022 0.000 1.336 145 I CB 1.091 39.071 38.000 -0.033 0.000 1.407 145 I HN -0.229 nan 8.210 nan 0.000 0.497 146 V N 5.729 125.608 119.914 -0.059 0.000 2.713 146 V HA 0.607 4.677 4.120 -0.084 0.000 0.307 146 V C -2.460 173.499 176.094 -0.226 0.000 1.052 146 V CA -2.470 59.786 62.300 -0.073 0.000 0.967 146 V CB 1.080 32.930 31.823 0.045 0.000 1.019 146 V HN 0.492 nan 8.190 nan 0.000 0.459 147 P HA 0.345 nan 4.420 nan 0.000 0.268 147 P C 0.783 177.521 177.300 -0.938 0.000 1.204 147 P CA 1.443 64.181 63.100 -0.602 0.000 0.768 147 P CB 1.171 32.442 31.700 -0.715 0.000 0.842 148 G N 2.821 110.865 108.800 -1.259 0.000 2.491 148 G HA2 -0.167 3.743 3.960 -0.084 0.000 0.203 148 G HA3 -0.167 3.743 3.960 -0.084 0.000 0.203 148 G C -0.214 174.308 174.900 -0.630 0.000 1.052 148 G CA 0.104 44.258 45.100 -1.578 0.000 0.675 148 G HN 0.668 nan 8.290 nan 0.000 0.504 149 D N 2.018 122.199 120.400 -0.365 0.000 2.357 149 D HA 0.437 5.027 4.640 -0.084 0.000 0.242 149 D C 0.666 176.878 176.300 -0.147 0.000 1.153 149 D CA -0.560 53.342 54.000 -0.164 0.000 0.918 149 D CB 0.605 41.364 40.800 -0.068 0.000 1.181 149 D HN 0.207 nan 8.370 nan 0.000 0.435 150 I N 0.961 121.494 120.570 -0.062 0.000 2.396 150 I HA 0.137 4.257 4.170 -0.084 0.000 0.289 150 I C -0.024 176.088 176.117 -0.009 0.000 1.056 150 I CA -0.624 60.641 61.300 -0.058 0.000 1.365 150 I CB 0.393 38.360 38.000 -0.055 0.000 1.407 150 I HN 0.187 nan 8.210 nan 0.000 0.509 151 V N 6.885 126.768 119.914 -0.052 0.000 2.555 151 V HA 0.442 4.512 4.120 -0.084 0.000 0.302 151 V C 0.065 176.137 176.094 -0.038 0.000 1.038 151 V CA -0.752 61.538 62.300 -0.017 0.000 0.887 151 V CB 2.159 33.953 31.823 -0.049 0.000 0.991 151 V HN 0.843 nan 8.190 nan 0.000 0.434 152 E N 3.878 124.088 120.200 0.017 0.000 2.256 152 E HA 0.810 5.110 4.350 -0.084 0.000 0.267 152 E C -1.388 175.217 176.600 0.009 0.000 0.892 152 E CA -0.839 55.557 56.400 -0.006 0.000 0.775 152 E CB 2.552 32.268 29.700 0.027 0.000 1.207 152 E HN 0.602 nan 8.360 nan 0.000 0.420 153 V N -0.409 119.497 119.914 -0.013 0.000 2.733 153 V HA 0.900 4.970 4.120 -0.084 0.000 0.306 153 V C -0.635 175.452 176.094 -0.012 0.000 1.084 153 V CA -0.129 62.164 62.300 -0.012 0.000 0.905 153 V CB 0.877 32.684 31.823 -0.027 0.000 1.010 153 V HN 1.032 nan 8.190 nan 0.000 0.424 154 A N 4.138 126.955 122.820 -0.005 0.000 2.869 154 A HA 0.954 5.224 4.320 -0.084 0.000 0.244 154 A C 0.185 177.764 177.584 -0.009 0.000 1.374 154 A CA -0.384 51.650 52.037 -0.005 0.000 0.913 154 A CB 0.946 19.947 19.000 0.001 0.000 1.589 154 A HN 1.824 nan 8.150 nan 0.000 0.485 155 V N -0.368 119.542 119.914 -0.007 0.000 2.740 155 V HA 0.429 4.499 4.120 -0.084 0.000 0.303 155 V C 1.676 177.765 176.094 -0.008 0.000 1.054 155 V CA 0.819 63.115 62.300 -0.008 0.000 1.106 155 V CB -0.339 31.481 31.823 -0.006 0.000 0.957 155 V HN 2.126 nan 8.190 nan 0.000 0.486 156 G N 2.465 111.260 108.800 -0.009 0.000 2.377 156 G HA2 -0.250 3.660 3.960 -0.084 0.000 0.250 156 G HA3 -0.250 3.660 3.960 -0.084 0.000 0.250 156 G C 0.118 175.011 174.900 -0.011 0.000 1.039 156 G CA 0.311 45.406 45.100 -0.009 0.000 0.625 156 G HN 0.748 nan 8.290 nan 0.000 0.526 157 D N 0.915 121.308 120.400 -0.012 0.000 2.443 157 D HA 0.342 4.932 4.640 -0.084 0.000 0.234 157 D C 0.630 176.921 176.300 -0.015 0.000 1.172 157 D CA 0.637 54.629 54.000 -0.014 0.000 0.878 157 D CB 0.796 41.587 40.800 -0.014 0.000 1.204 157 D HN 0.357 nan 8.370 nan 0.000 0.453 158 K N 0.745 121.134 120.400 -0.018 0.000 2.213 158 K HA 0.250 4.520 4.320 -0.084 0.000 0.270 158 K C -1.123 175.465 176.600 -0.020 0.000 1.002 158 K CA -0.673 55.604 56.287 -0.016 0.000 0.868 158 K CB 1.187 33.676 32.500 -0.019 0.000 1.093 158 K HN 0.064 nan 8.250 nan 0.000 0.454 159 V N 8.522 128.426 119.914 -0.017 0.000 2.409 159 V HA 0.069 4.138 4.120 -0.084 0.000 0.270 159 V C -1.323 174.759 176.094 -0.019 0.000 1.019 159 V CA -0.894 61.391 62.300 -0.024 0.000 1.066 159 V CB 0.737 32.545 31.823 -0.025 0.000 1.021 159 V HN 0.880 nan 8.190 nan 0.000 0.476 160 P HA 0.071 nan 4.420 nan 0.000 0.226 160 P C 0.293 177.577 177.300 -0.027 0.000 1.153 160 P CA 1.173 64.256 63.100 -0.028 0.000 0.777 160 P CB 0.667 32.346 31.700 -0.034 0.000 0.794 161 A N -0.821 121.979 122.820 -0.033 0.000 2.438 161 A HA 0.423 4.692 4.320 -0.084 0.000 0.301 161 A C -1.767 175.792 177.584 -0.041 0.000 1.101 161 A CA -0.664 51.353 52.037 -0.033 0.000 0.621 161 A CB -0.143 18.820 19.000 -0.061 0.000 1.350 161 A HN -0.193 nan 8.150 nan 0.000 0.496 162 D N 1.352 121.729 120.400 -0.037 0.000 2.325 162 D HA 0.513 5.103 4.640 -0.084 0.000 0.251 162 D C -0.293 175.936 176.300 -0.118 0.000 1.196 162 D CA 0.536 54.503 54.000 -0.055 0.000 0.866 162 D CB 0.453 41.260 40.800 0.012 0.000 1.101 162 D HN 0.358 nan 8.370 nan 0.000 0.476 163 I N 1.982 122.454 120.570 -0.164 0.000 2.474 163 I HA 0.321 4.441 4.170 -0.084 0.000 0.294 163 I C 0.277 176.289 176.117 -0.176 0.000 1.005 163 I CA -0.869 60.334 61.300 -0.162 0.000 1.113 163 I CB 1.588 39.499 38.000 -0.148 0.000 1.289 163 I HN 0.143 nan 8.210 nan 0.000 0.436 164 R N 6.338 126.755 120.500 -0.139 0.000 2.204 164 R HA 0.450 4.739 4.340 -0.084 0.000 0.341 164 R C -0.399 175.835 176.300 -0.111 0.000 1.035 164 R CA -0.737 55.292 56.100 -0.118 0.000 0.887 164 R CB 0.074 30.328 30.300 -0.076 0.000 1.114 164 R HN 0.579 nan 8.270 nan 0.000 0.473 165 I N 5.768 126.263 120.570 -0.126 0.000 2.845 165 I HA -0.229 3.890 4.170 -0.084 0.000 0.296 165 I C 1.423 177.495 176.117 -0.075 0.000 1.216 165 I CA 0.465 61.702 61.300 -0.105 0.000 1.438 165 I CB 0.611 38.544 38.000 -0.111 0.000 1.342 165 I HN 0.522 nan 8.210 nan 0.000 0.577 166 L N 3.819 124.999 121.223 -0.071 0.000 2.453 166 L HA 0.177 4.467 4.340 -0.084 0.000 0.190 166 L C 0.827 177.668 176.870 -0.048 0.000 1.093 166 L CA 0.485 55.292 54.840 -0.055 0.000 0.834 166 L CB 0.034 42.053 42.059 -0.067 0.000 1.090 166 L HN 0.628 nan 8.230 nan 0.000 0.489 167 S N -0.270 115.393 115.700 -0.062 0.000 2.538 167 S HA 0.582 5.001 4.470 -0.084 0.000 0.288 167 S C -0.904 173.665 174.600 -0.052 0.000 1.108 167 S CA -0.575 57.593 58.200 -0.053 0.000 0.971 167 S CB 1.424 64.585 63.200 -0.065 0.000 1.041 167 S HN 0.120 nan 8.310 nan 0.000 0.483 168 I N 5.414 125.963 120.570 -0.035 0.000 2.330 168 I HA 0.337 4.457 4.170 -0.084 0.000 0.286 168 I C 0.817 176.918 176.117 -0.027 0.000 1.025 168 I CA -0.690 60.592 61.300 -0.031 0.000 1.197 168 I CB 1.411 39.401 38.000 -0.018 0.000 1.358 168 I HN 0.599 nan 8.210 nan 0.000 0.467 169 K N 2.983 123.365 120.400 -0.030 0.000 2.365 169 K HA 0.017 4.287 4.320 -0.084 0.000 0.199 169 K C 0.794 177.385 176.600 -0.015 0.000 1.045 169 K CA 0.395 56.667 56.287 -0.024 0.000 0.962 169 K CB -0.086 32.399 32.500 -0.025 0.000 0.759 169 K HN 0.657 nan 8.250 nan 0.000 0.469 170 S N -0.407 115.285 115.700 -0.013 0.000 2.593 170 S HA 0.178 4.598 4.470 -0.084 0.000 0.297 170 S C 1.324 175.920 174.600 -0.007 0.000 1.112 170 S CA -0.249 57.945 58.200 -0.009 0.000 1.043 170 S CB 1.614 64.809 63.200 -0.008 0.000 1.054 170 S HN 0.231 nan 8.310 nan 0.000 0.516 171 T N -0.610 113.942 114.554 -0.005 0.000 2.755 171 T HA -0.098 4.202 4.350 -0.084 0.000 0.266 171 T C 0.850 175.549 174.700 -0.001 0.000 1.041 171 T CA 2.036 64.135 62.100 -0.003 0.000 1.147 171 T CB -0.732 68.135 68.868 -0.002 0.000 0.847 171 T HN 0.869 nan 8.240 nan 0.000 0.478 172 T N -0.648 113.905 114.554 -0.002 0.000 2.762 172 T HA 0.589 4.889 4.350 -0.084 0.000 0.301 172 T C -2.499 172.198 174.700 -0.004 0.000 1.299 172 T CA -0.849 61.251 62.100 0.000 0.000 1.005 172 T CB 1.685 70.554 68.868 0.003 0.000 1.377 172 T HN 0.294 nan 8.240 nan 0.000 0.504 173 L N 2.393 123.614 121.223 -0.004 0.000 2.555 173 L HA 0.627 4.917 4.340 -0.084 0.000 0.264 173 L C -0.747 176.116 176.870 -0.012 0.000 0.972 173 L CA -0.203 54.629 54.840 -0.012 0.000 0.876 173 L CB 1.306 43.353 42.059 -0.021 0.000 1.216 173 L HN 0.603 nan 8.230 nan 0.000 0.415 174 R N 2.727 123.221 120.500 -0.010 0.000 2.598 174 R HA 0.926 5.216 4.340 -0.084 0.000 0.279 174 R C -1.287 175.006 176.300 -0.011 0.000 0.984 174 R CA -0.807 55.289 56.100 -0.007 0.000 0.999 174 R CB 2.297 32.596 30.300 -0.002 0.000 1.114 174 R HN 0.409 nan 8.270 nan 0.000 0.493 175 V N 0.817 120.726 119.914 -0.008 0.000 3.007 175 V HA 0.166 4.236 4.120 -0.084 0.000 0.311 175 V C -1.149 174.949 176.094 0.007 0.000 1.120 175 V CA -0.799 61.497 62.300 -0.006 0.000 0.980 175 V CB 2.305 34.118 31.823 -0.017 0.000 1.033 175 V HN 0.700 nan 8.190 nan 0.000 0.429 176 D N 2.778 123.184 120.400 0.010 0.000 2.485 176 D HA 0.294 4.884 4.640 -0.084 0.000 0.229 176 D C 0.251 176.567 176.300 0.028 0.000 1.101 176 D CA -0.325 53.684 54.000 0.015 0.000 0.906 176 D CB 0.905 41.710 40.800 0.008 0.000 1.019 176 D HN 0.650 nan 8.370 nan 0.000 0.516 177 Q N 1.923 121.748 119.800 0.041 0.000 2.404 177 Q HA 0.186 4.476 4.340 -0.084 0.000 0.368 177 Q C 0.524 176.540 176.000 0.027 0.000 0.939 177 Q CA -0.467 55.373 55.803 0.061 0.000 1.099 177 Q CB 0.356 29.174 28.738 0.133 0.000 1.284 177 Q HN 0.275 nan 8.270 nan 0.000 0.421 178 S N 0.357 116.065 115.700 0.014 0.000 2.368 178 S HA -0.183 4.237 4.470 -0.084 0.000 0.224 178 S C 1.769 176.364 174.600 -0.008 0.000 1.029 178 S CA 0.793 58.993 58.200 0.001 0.000 0.988 178 S CB -0.502 62.698 63.200 0.001 0.000 0.838 178 S HN 0.650 nan 8.310 nan 0.000 0.462 179 I N 0.304 120.870 120.570 -0.005 0.000 2.700 179 I HA -0.044 4.076 4.170 -0.084 0.000 0.261 179 I C 1.818 177.918 176.117 -0.029 0.000 1.219 179 I CA 1.163 62.456 61.300 -0.013 0.000 1.463 179 I CB 0.028 38.025 38.000 -0.005 0.000 1.092 179 I HN 0.396 nan 8.210 nan 0.000 0.452 180 L N -0.069 121.130 121.223 -0.041 0.000 2.749 180 L HA 0.312 4.602 4.340 -0.084 0.000 0.242 180 L C 0.571 177.378 176.870 -0.105 0.000 1.103 180 L CA 0.697 55.483 54.840 -0.088 0.000 0.906 180 L CB 0.278 42.256 42.059 -0.135 0.000 1.228 180 L HN 0.300 nan 8.230 nan 0.000 0.517 181 T N -4.087 110.426 114.554 -0.068 0.000 2.907 181 T HA 0.589 4.889 4.350 -0.084 0.000 0.290 181 T C 0.746 175.424 174.700 -0.036 0.000 1.066 181 T CA -0.238 61.825 62.100 -0.062 0.000 1.012 181 T CB 1.183 70.022 68.868 -0.049 0.000 1.184 181 T HN 0.015 nan 8.240 nan 0.000 0.522 182 G N 0.101 108.881 108.800 -0.033 0.000 3.332 182 G HA2 0.263 4.173 3.960 -0.084 0.000 0.242 182 G HA3 0.263 4.173 3.960 -0.084 0.000 0.242 182 G C -0.042 174.850 174.900 -0.013 0.000 1.276 182 G CA -0.359 44.727 45.100 -0.022 0.000 0.988 182 G HN 0.755 nan 8.290 nan 0.000 0.517 183 E N 0.268 120.463 120.200 -0.009 0.000 2.109 183 E HA 0.247 4.547 4.350 -0.084 0.000 0.278 183 E C 0.803 177.403 176.600 0.000 0.000 0.954 183 E CA -0.316 56.084 56.400 -0.001 0.000 0.779 183 E CB 1.470 31.174 29.700 0.007 0.000 1.093 183 E HN 0.276 nan 8.360 nan 0.000 0.401 184 S N 1.524 117.224 115.700 -0.000 0.000 2.456 184 S HA 0.030 4.450 4.470 -0.084 0.000 0.224 184 S C 0.962 175.563 174.600 0.002 0.000 1.035 184 S CA -0.221 57.979 58.200 -0.000 0.000 0.940 184 S CB 0.098 63.297 63.200 -0.002 0.000 0.799 184 S HN 0.219 nan 8.310 nan 0.000 0.508 185 V N 3.455 123.371 119.914 0.003 0.000 2.904 185 V HA 0.490 4.560 4.120 -0.084 0.000 0.305 185 V C 0.665 176.763 176.094 0.007 0.000 1.067 185 V CA -0.722 61.580 62.300 0.005 0.000 1.044 185 V CB 1.180 33.006 31.823 0.005 0.000 1.050 185 V HN 0.574 nan 8.190 nan 0.000 0.475 186 S N 1.917 117.620 115.700 0.006 0.000 2.565 186 S HA 0.603 5.023 4.470 -0.084 0.000 0.276 186 S C -0.393 174.212 174.600 0.009 0.000 1.326 186 S CA -0.643 57.562 58.200 0.007 0.000 1.045 186 S CB 1.119 64.322 63.200 0.004 0.000 0.918 186 S HN 0.618 nan 8.310 nan 0.000 0.505 187 V N 2.254 122.174 119.914 0.011 0.000 3.096 187 V HA 0.565 4.635 4.120 -0.084 0.000 0.319 187 V C 0.254 176.352 176.094 0.007 0.000 1.103 187 V CA -1.273 61.035 62.300 0.013 0.000 1.016 187 V CB 1.044 32.879 31.823 0.020 0.000 1.090 187 V HN 0.917 nan 8.190 nan 0.000 0.449 188 I N 1.120 121.697 120.570 0.012 0.000 2.664 188 I HA 0.496 4.616 4.170 -0.084 0.000 0.308 188 I C -0.009 176.105 176.117 -0.004 0.000 0.984 188 I CA -0.661 60.645 61.300 0.010 0.000 1.213 188 I CB 1.247 39.263 38.000 0.027 0.000 1.379 188 I HN 0.510 nan 8.210 nan 0.000 0.501 189 K N 2.614 123.000 120.400 -0.023 0.000 2.340 189 K HA 0.577 4.847 4.320 -0.084 0.000 0.244 189 K C -1.111 175.475 176.600 -0.024 0.000 0.973 189 K CA -0.833 55.399 56.287 -0.091 0.000 0.828 189 K CB 2.365 34.792 32.500 -0.121 0.000 1.226 189 K HN 0.736 nan 8.250 nan 0.000 0.437 190 H N -3.173 115.878 119.070 -0.031 0.000 2.908 190 H HA 0.375 4.881 4.556 -0.083 0.000 0.350 190 H C 0.270 175.578 175.328 -0.032 0.000 1.217 190 H CA -0.816 55.216 56.048 -0.026 0.000 1.168 190 H CB 0.804 30.557 29.762 -0.016 0.000 1.891 190 H HN 0.519 nan 8.280 nan 0.000 0.566 191 T N -2.508 112.160 114.554 0.190 0.000 3.122 191 T HA 0.188 4.487 4.350 -0.084 0.000 0.250 191 T C 0.256 175.039 174.700 0.138 0.000 1.067 191 T CA -0.295 61.864 62.100 0.098 0.000 0.966 191 T CB -0.098 68.795 68.868 0.041 0.000 1.002 191 T HN 0.439 nan 8.240 nan 0.000 0.542 192 E N 2.245 122.640 120.200 0.324 0.000 2.284 192 E HA 0.461 4.761 4.350 -0.084 0.000 0.255 192 E C -2.510 174.219 176.600 0.214 0.000 1.052 192 E CA -2.515 54.000 56.400 0.191 0.000 0.904 192 E CB 0.801 30.534 29.700 0.055 0.000 1.217 192 E HN 0.158 nan 8.360 nan 0.000 0.438 193 P HA 0.200 nan 4.420 nan 0.000 0.278 193 P C -0.456 176.932 177.300 0.147 0.000 1.266 193 P CA -0.385 62.769 63.100 0.090 0.000 0.807 193 P CB 0.782 32.495 31.700 0.022 0.000 1.094 194 V N 2.086 122.067 119.914 0.113 0.000 2.383 194 V HA 0.120 4.189 4.120 -0.084 0.000 0.261 194 V C -1.177 174.974 176.094 0.095 0.000 0.987 194 V CA -1.436 60.959 62.300 0.159 0.000 0.853 194 V CB 0.731 32.703 31.823 0.248 0.000 1.095 194 V HN 0.525 nan 8.190 nan 0.000 0.461 195 P HA -0.253 nan 4.420 nan 0.000 0.219 195 P C 0.612 177.918 177.300 0.010 0.000 1.159 195 P CA 1.436 64.534 63.100 -0.003 0.000 0.944 195 P CB 0.150 31.857 31.700 0.012 0.000 0.792 196 D N 1.157 121.601 120.400 0.074 0.000 2.536 196 D HA -0.064 4.525 4.640 -0.084 0.000 0.260 196 D C -0.929 175.504 176.300 0.221 0.000 1.270 196 D CA -1.003 53.062 54.000 0.108 0.000 0.934 196 D CB 0.212 41.074 40.800 0.103 0.000 1.129 196 D HN 0.195 nan 8.370 nan 0.000 0.533 197 P HA -0.161 nan 4.420 nan 0.000 0.222 197 P C 0.083 177.556 177.300 0.288 0.000 1.147 197 P CA 0.904 64.113 63.100 0.182 0.000 0.790 197 P CB 0.046 31.780 31.700 0.057 0.000 0.780 198 R N -0.802 119.796 120.500 0.163 0.000 3.130 198 R HA 0.678 4.968 4.340 -0.084 0.000 0.348 198 R C 0.223 176.547 176.300 0.040 0.000 1.241 198 R CA -0.536 55.614 56.100 0.084 0.000 1.141 198 R CB 0.185 30.516 30.300 0.053 0.000 1.453 198 R HN -0.099 nan 8.270 nan 0.000 0.590 199 A N 0.821 123.658 122.820 0.027 0.000 2.271 199 A HA 0.552 4.822 4.320 -0.084 0.000 0.288 199 A C 0.229 177.760 177.584 -0.087 0.000 1.094 199 A CA -0.620 51.407 52.037 -0.017 0.000 0.828 199 A CB 0.895 19.904 19.000 0.014 0.000 1.091 199 A HN 0.180 nan 8.150 nan 0.000 0.493 200 V N 2.032 121.911 119.914 -0.058 0.000 2.834 200 V HA 0.067 4.137 4.120 -0.084 0.000 0.301 200 V C 1.277 177.329 176.094 -0.070 0.000 1.066 200 V CA -0.622 61.634 62.300 -0.074 0.000 1.052 200 V CB 0.906 32.696 31.823 -0.054 0.000 1.021 200 V HN 0.975 nan 8.190 nan 0.000 0.480 201 N N 1.909 120.546 118.700 -0.106 0.000 2.182 201 N HA -0.258 4.432 4.740 -0.084 0.000 0.192 201 N C 1.655 177.215 175.510 0.083 0.000 1.007 201 N CA 1.673 54.691 53.050 -0.053 0.000 0.873 201 N CB -0.120 38.056 38.487 -0.518 0.000 0.998 201 N HN 0.778 nan 8.380 nan 0.000 0.436 202 Q N 0.535 120.337 119.800 0.004 0.000 2.124 202 Q HA -0.112 4.178 4.340 -0.084 0.000 0.202 202 Q C 0.238 176.266 176.000 0.047 0.000 0.977 202 Q CA 1.175 56.997 55.803 0.032 0.000 0.850 202 Q CB 0.169 28.908 28.738 0.001 0.000 0.901 202 Q HN 0.338 nan 8.270 nan 0.000 0.429 203 D N -0.129 120.290 120.400 0.032 0.000 2.328 203 D HA 0.010 4.600 4.640 -0.084 0.000 0.221 203 D C -0.084 176.238 176.300 0.035 0.000 1.072 203 D CA 0.371 54.393 54.000 0.036 0.000 0.850 203 D CB 0.252 41.070 40.800 0.030 0.000 0.922 203 D HN 0.142 nan 8.370 nan 0.000 0.516 204 K N 1.506 121.931 120.400 0.041 0.000 3.165 204 K HA 0.091 4.361 4.320 -0.084 0.000 0.259 204 K C 0.787 177.337 176.600 -0.084 0.000 1.282 204 K CA -0.162 56.129 56.287 0.007 0.000 1.259 204 K CB 0.353 32.900 32.500 0.078 0.000 1.546 204 K HN -0.157 nan 8.250 nan 0.000 0.384 205 K N 1.497 121.831 120.400 -0.109 0.000 2.732 205 K HA -0.117 4.152 4.320 -0.084 0.000 0.206 205 K C 0.517 176.788 176.600 -0.547 0.000 0.992 205 K CA 0.663 56.807 56.287 -0.238 0.000 1.035 205 K CB -0.307 32.121 32.500 -0.120 0.000 0.843 205 K HN 0.456 nan 8.250 nan 0.000 0.488 206 N N -0.868 117.583 118.700 -0.416 0.000 2.142 206 N HA 0.041 4.731 4.740 -0.084 0.000 0.233 206 N C -0.248 175.101 175.510 -0.268 0.000 1.335 206 N CA -0.239 52.577 53.050 -0.390 0.000 0.837 206 N CB 0.442 38.727 38.487 -0.336 0.000 1.238 206 N HN -0.131 nan 8.380 nan 0.000 0.501 207 M N 0.900 120.295 119.600 -0.342 0.000 2.662 207 M HA 0.515 4.945 4.480 -0.084 0.000 0.310 207 M C -0.902 175.033 176.300 -0.608 0.000 1.204 207 M CA -0.597 54.422 55.300 -0.467 0.000 0.891 207 M CB 2.244 34.477 32.600 -0.611 0.000 1.732 207 M HN -0.056 nan 8.290 nan 0.000 0.467 208 L N 2.378 123.266 121.223 -0.558 0.000 2.388 208 L HA 0.449 4.739 4.340 -0.084 0.000 0.267 208 L C -1.091 175.539 176.870 -0.400 0.000 0.995 208 L CA -0.448 54.139 54.840 -0.422 0.000 0.864 208 L CB 0.778 42.706 42.059 -0.219 0.000 1.216 208 L HN 0.445 nan 8.230 nan 0.000 0.430 209 F N 0.675 120.594 119.950 -0.050 0.000 2.518 209 F HA 0.107 4.584 4.527 -0.084 0.000 0.359 209 F C 1.362 177.137 175.800 -0.041 0.000 1.118 209 F CA 0.155 58.127 58.000 -0.046 0.000 1.287 209 F CB 0.762 39.735 39.000 -0.045 0.000 1.132 209 F HN 0.347 nan 8.300 nan 0.000 0.587 210 S N 1.406 117.193 115.700 0.144 0.000 2.533 210 S HA 0.402 4.822 4.470 -0.084 0.000 0.282 210 S C 0.957 175.592 174.600 0.060 0.000 1.304 210 S CA 0.442 58.680 58.200 0.063 0.000 1.063 210 S CB -0.043 63.182 63.200 0.041 0.000 0.881 210 S HN 1.215 nan 8.310 nan 0.000 0.493 211 G N 3.270 112.089 108.800 0.031 0.000 2.176 211 G HA2 -0.196 3.714 3.960 -0.084 0.000 0.232 211 G HA3 -0.196 3.714 3.960 -0.084 0.000 0.232 211 G C 0.266 175.182 174.900 0.026 0.000 0.986 211 G CA 0.238 45.352 45.100 0.023 0.000 0.643 211 G HN 0.846 nan 8.290 nan 0.000 0.522 212 T N 1.361 115.938 114.554 0.038 0.000 2.897 212 T HA 0.628 4.928 4.350 -0.084 0.000 0.278 212 T C 0.037 174.745 174.700 0.013 0.000 0.981 212 T CA 0.130 62.252 62.100 0.038 0.000 0.973 212 T CB 1.363 70.274 68.868 0.071 0.000 1.092 212 T HN 0.760 nan 8.240 nan 0.000 0.543 213 N N 0.832 119.537 118.700 0.009 0.000 2.277 213 N HA 0.236 4.926 4.740 -0.084 0.000 0.286 213 N C -1.135 174.372 175.510 -0.005 0.000 1.140 213 N CA -0.816 52.233 53.050 -0.003 0.000 0.799 213 N CB 1.400 39.885 38.487 -0.003 0.000 1.596 213 N HN 0.562 nan 8.380 nan 0.000 0.473 214 I N -0.556 120.007 120.570 -0.011 0.000 2.352 214 I HA 0.383 4.502 4.170 -0.084 0.000 0.290 214 I C 1.199 177.310 176.117 -0.009 0.000 1.036 214 I CA -0.415 60.877 61.300 -0.013 0.000 1.336 214 I CB 0.250 38.237 38.000 -0.020 0.000 1.407 214 I HN 0.711 nan 8.210 nan 0.000 0.497 215 A N 5.877 128.693 122.820 -0.007 0.000 1.858 215 A HA 0.335 4.605 4.320 -0.084 0.000 0.216 215 A C 1.229 178.809 177.584 -0.006 0.000 1.190 215 A CA 1.630 53.664 52.037 -0.005 0.000 0.617 215 A CB -0.342 18.656 19.000 -0.002 0.000 0.827 215 A HN 1.177 nan 8.150 nan 0.000 0.443 216 A N -3.254 119.562 122.820 -0.007 0.000 2.572 216 A HA 0.675 4.945 4.320 -0.084 0.000 0.295 216 A C 0.236 177.814 177.584 -0.009 0.000 1.072 216 A CA 0.137 52.169 52.037 -0.007 0.000 0.691 216 A CB 0.590 19.587 19.000 -0.005 0.000 1.291 216 A HN 2.280 nan 8.150 nan 0.000 0.404 217 G N 0.121 108.916 108.800 -0.009 0.000 2.541 217 G HA2 0.329 4.239 3.960 -0.084 0.000 0.686 217 G HA3 0.329 4.239 3.960 -0.084 0.000 0.686 217 G C -0.809 174.083 174.900 -0.014 0.000 1.286 217 G CA -0.135 44.958 45.100 -0.011 0.000 0.894 217 G HN 1.092 nan 8.290 nan 0.000 0.575 218 K N -0.469 119.922 120.400 -0.015 0.000 2.435 218 K HA 0.879 5.149 4.320 -0.084 0.000 0.251 218 K C -0.483 176.100 176.600 -0.028 0.000 0.954 218 K CA -0.217 56.059 56.287 -0.017 0.000 0.820 218 K CB 1.998 34.492 32.500 -0.010 0.000 1.292 218 K HN 2.265 nan 8.250 nan 0.000 0.436 219 A N 2.751 125.549 122.820 -0.037 0.000 2.580 219 A HA 0.419 4.689 4.320 -0.084 0.000 0.301 219 A C -2.046 175.495 177.584 -0.072 0.000 1.054 219 A CA -0.773 51.232 52.037 -0.053 0.000 0.751 219 A CB 0.552 19.520 19.000 -0.053 0.000 1.275 219 A HN 0.436 nan 8.150 nan 0.000 0.403 220 L N 1.150 122.315 121.223 -0.096 0.000 2.431 220 L HA 0.928 5.218 4.340 -0.084 0.000 0.260 220 L C 1.138 177.942 176.870 -0.111 0.000 1.098 220 L CA 1.004 55.767 54.840 -0.129 0.000 0.800 220 L CB 1.363 43.308 42.059 -0.190 0.000 1.210 220 L HN 1.353 nan 8.230 nan 0.000 0.465 221 G N -0.202 108.527 108.800 -0.118 0.000 2.488 221 G HA2 0.525 4.434 3.960 -0.084 0.000 0.301 221 G HA3 0.525 4.434 3.960 -0.084 0.000 0.301 221 G C -2.120 172.709 174.900 -0.118 0.000 1.339 221 G CA -0.479 44.555 45.100 -0.110 0.000 0.803 221 G HN 0.608 nan 8.290 nan 0.000 0.482 222 I N 0.580 121.075 120.570 -0.124 0.000 2.499 222 I HA 0.544 4.663 4.170 -0.084 0.000 0.288 222 I C -0.382 175.612 176.117 -0.204 0.000 1.048 222 I CA -1.030 60.173 61.300 -0.162 0.000 1.062 222 I CB 1.913 39.839 38.000 -0.122 0.000 1.238 222 I HN 0.333 nan 8.210 nan 0.000 0.426 223 V N 8.582 128.333 119.914 -0.272 0.000 2.458 223 V HA 0.076 4.146 4.120 -0.084 0.000 0.287 223 V C 1.195 177.090 176.094 -0.331 0.000 1.009 223 V CA 0.848 62.981 62.300 -0.279 0.000 1.091 223 V CB 0.216 31.862 31.823 -0.294 0.000 0.960 223 V HN 0.978 nan 8.190 nan 0.000 0.476 224 A N 5.032 127.736 122.820 -0.194 0.000 1.832 224 A HA 0.131 4.401 4.320 -0.084 0.000 0.214 224 A C 1.315 178.812 177.584 -0.145 0.000 1.242 224 A CA 1.444 53.409 52.037 -0.119 0.000 0.603 224 A CB -0.231 18.727 19.000 -0.071 0.000 0.902 224 A HN 0.844 nan 8.150 nan 0.000 0.455 225 T N -3.169 111.313 114.554 -0.121 0.000 2.940 225 T HA 0.601 4.901 4.350 -0.084 0.000 0.288 225 T C -0.216 174.418 174.700 -0.111 0.000 1.045 225 T CA 0.311 62.341 62.100 -0.117 0.000 1.018 225 T CB 1.692 70.538 68.868 -0.037 0.000 1.151 225 T HN 1.057 nan 8.240 nan 0.000 0.529 226 T N -2.284 112.218 114.554 -0.087 0.000 2.681 226 T HA 0.723 5.023 4.350 -0.084 0.000 0.296 226 T C 0.989 175.692 174.700 0.006 0.000 1.157 226 T CA 0.331 62.403 62.100 -0.047 0.000 1.025 226 T CB 0.834 69.663 68.868 -0.065 0.000 1.441 226 T HN 2.159 nan 8.240 nan 0.000 0.504 227 G N 0.069 108.886 108.800 0.028 0.000 2.594 227 G HA2 -0.288 3.622 3.960 -0.084 0.000 0.297 227 G HA3 -0.288 3.622 3.960 -0.084 0.000 0.297 227 G C 1.084 176.011 174.900 0.046 0.000 1.273 227 G CA 1.065 46.197 45.100 0.052 0.000 0.974 227 G HN 1.847 nan 8.290 nan 0.000 0.552 228 V N 0.785 120.731 119.914 0.054 0.000 3.305 228 V HA 0.123 4.193 4.120 -0.084 0.000 0.269 228 V C 2.378 178.497 176.094 0.042 0.000 1.157 228 V CA 2.662 64.989 62.300 0.045 0.000 1.157 228 V CB -0.322 31.528 31.823 0.046 0.000 0.772 228 V HN 0.860 nan 8.190 nan 0.000 0.498 229 S N -0.374 115.354 115.700 0.047 0.000 2.603 229 S HA 0.061 4.481 4.470 -0.084 0.000 0.220 229 S C 0.963 175.585 174.600 0.035 0.000 0.967 229 S CA 0.334 58.561 58.200 0.045 0.000 0.920 229 S CB -0.201 63.031 63.200 0.053 0.000 0.773 229 S HN 0.644 nan 8.310 nan 0.000 0.529 230 T N 2.311 116.884 114.554 0.033 0.000 2.913 230 T HA 0.136 4.436 4.350 -0.084 0.000 0.297 230 T C 1.240 175.961 174.700 0.036 0.000 1.029 230 T CA -0.226 61.899 62.100 0.041 0.000 1.104 230 T CB 1.118 70.008 68.868 0.038 0.000 0.964 230 T HN 0.101 nan 8.240 nan 0.000 0.532 231 E N 1.336 121.570 120.200 0.057 0.000 2.130 231 E HA -0.123 4.177 4.350 -0.084 0.000 0.196 231 E C 1.670 178.235 176.600 -0.058 0.000 0.998 231 E CA 1.025 57.411 56.400 -0.024 0.000 0.806 231 E CB -0.165 29.476 29.700 -0.098 0.000 0.738 231 E HN 0.572 nan 8.360 nan 0.000 0.459 232 I N -0.708 119.851 120.570 -0.019 0.000 2.876 232 I HA 0.091 4.211 4.170 -0.084 0.000 0.264 232 I C 1.832 177.945 176.117 -0.007 0.000 1.204 232 I CA 1.040 62.326 61.300 -0.023 0.000 1.485 232 I CB -0.213 37.789 38.000 0.003 0.000 1.103 232 I HN 0.141 nan 8.210 nan 0.000 0.446 233 G N 0.003 108.807 108.800 0.007 0.000 2.430 233 G HA2 -0.163 3.747 3.960 -0.084 0.000 0.216 233 G HA3 -0.163 3.747 3.960 -0.084 0.000 0.216 233 G C 1.643 176.548 174.900 0.008 0.000 1.146 233 G CA 0.174 45.282 45.100 0.014 0.000 0.793 233 G HN 0.342 nan 8.290 nan 0.000 0.537 234 K N -0.067 120.333 120.400 -0.001 0.000 2.432 234 K HA 0.137 4.407 4.320 -0.084 0.000 0.196 234 K C 1.807 178.399 176.600 -0.014 0.000 1.038 234 K CA 0.058 56.342 56.287 -0.004 0.000 0.986 234 K CB 0.110 32.605 32.500 -0.009 0.000 0.782 234 K HN 0.252 nan 8.250 nan 0.000 0.485 235 I N 0.700 121.257 120.570 -0.021 0.000 2.522 235 I HA -0.088 4.032 4.170 -0.084 0.000 0.240 235 I C 2.116 178.224 176.117 -0.015 0.000 1.078 235 I CA 0.967 62.252 61.300 -0.026 0.000 1.422 235 I CB -0.999 36.977 38.000 -0.040 0.000 1.188 235 I HN 0.072 nan 8.210 nan 0.000 0.442 236 R N 0.872 121.366 120.500 -0.009 0.000 2.117 236 R HA -0.235 4.055 4.340 -0.084 0.000 0.243 236 R C 1.975 178.276 176.300 0.001 0.000 1.143 236 R CA 1.815 57.913 56.100 -0.002 0.000 0.968 236 R CB -0.400 29.903 30.300 0.006 0.000 0.863 236 R HN 0.434 nan 8.270 nan 0.000 0.444 237 D N 0.665 121.067 120.400 0.004 0.000 2.117 237 D HA -0.168 4.422 4.640 -0.084 0.000 0.198 237 D C 1.017 177.318 176.300 0.001 0.000 0.982 237 D CA 1.052 55.056 54.000 0.006 0.000 0.828 237 D CB 0.113 40.920 40.800 0.011 0.000 0.967 237 D HN 0.017 nan 8.370 nan 0.000 0.464 238 Q N 0.021 119.819 119.800 -0.003 0.000 2.414 238 Q HA 0.228 4.518 4.340 -0.084 0.000 0.286 238 Q C -0.412 175.583 176.000 -0.009 0.000 0.941 238 Q CA -0.231 55.568 55.803 -0.006 0.000 0.951 238 Q CB -0.396 28.337 28.738 -0.009 0.000 1.188 238 Q HN 0.115 nan 8.270 nan 0.000 0.418 239 M N -0.184 119.412 119.600 -0.008 0.000 2.753 239 M HA 0.714 5.143 4.480 -0.084 0.000 0.299 239 M C -0.889 175.404 176.300 -0.010 0.000 1.219 239 M CA -1.264 54.030 55.300 -0.010 0.000 0.900 239 M CB 1.363 33.958 32.600 -0.009 0.000 1.628 239 M HN 0.143 nan 8.290 nan 0.000 0.502 240 A N 1.563 124.376 122.820 -0.012 0.000 2.477 240 A HA 0.602 4.871 4.320 -0.084 0.000 0.246 240 A C -0.137 177.438 177.584 -0.014 0.000 1.078 240 A CA -0.091 51.938 52.037 -0.013 0.000 0.770 240 A CB -0.828 18.164 19.000 -0.013 0.000 1.011 240 A HN 1.039 nan 8.150 nan 0.000 0.494 241 A N 2.434 125.244 122.820 -0.016 0.000 2.477 241 A HA 0.490 4.760 4.320 -0.084 0.000 0.246 241 A C 0.745 178.317 177.584 -0.021 0.000 1.078 241 A CA 0.684 52.709 52.037 -0.019 0.000 0.770 241 A CB -0.104 18.882 19.000 -0.023 0.000 1.011 241 A HN 1.087 nan 8.150 nan 0.000 0.494 242 T N 1.743 116.283 114.554 -0.022 0.000 2.907 242 T HA 0.456 4.756 4.350 -0.084 0.000 0.284 242 T C -0.084 174.599 174.700 -0.028 0.000 1.004 242 T CA -0.416 61.670 62.100 -0.022 0.000 1.063 242 T CB 0.278 69.134 68.868 -0.020 0.000 0.992 242 T HN 0.713 nan 8.240 nan 0.000 0.483 243 E N 2.344 122.529 120.200 -0.026 0.000 2.249 243 E HA 0.495 4.795 4.350 -0.084 0.000 0.263 243 E C -0.624 175.961 176.600 -0.026 0.000 0.950 243 E CA -0.886 55.496 56.400 -0.029 0.000 0.827 243 E CB 2.025 31.709 29.700 -0.027 0.000 1.220 243 E HN 0.600 nan 8.360 nan 0.000 0.411 244 Q N 0.258 120.042 119.800 -0.027 0.000 2.544 244 Q HA 0.265 4.555 4.340 -0.084 0.000 0.291 244 Q C -1.134 174.854 176.000 -0.019 0.000 1.068 244 Q CA -0.820 54.969 55.803 -0.023 0.000 0.785 244 Q CB 2.305 31.029 28.738 -0.024 0.000 1.481 244 Q HN 0.440 nan 8.270 nan 0.000 0.430 245 D N 0.502 120.893 120.400 -0.015 0.000 2.451 245 D HA 0.297 4.886 4.640 -0.084 0.000 0.259 245 D C -0.893 175.402 176.300 -0.009 0.000 1.201 245 D CA -0.031 53.963 54.000 -0.011 0.000 1.028 245 D CB 1.068 41.863 40.800 -0.009 0.000 1.095 245 D HN 0.214 nan 8.370 nan 0.000 0.539 246 K N -0.160 120.238 120.400 -0.003 0.000 2.316 246 K HA 0.284 4.554 4.320 -0.084 0.000 0.251 246 K C -0.384 176.220 176.600 0.007 0.000 0.934 246 K CA -0.731 55.557 56.287 0.002 0.000 0.802 246 K CB 1.932 34.435 32.500 0.006 0.000 1.171 246 K HN 0.432 nan 8.250 nan 0.000 0.426 247 T N -0.967 113.593 114.554 0.011 0.000 2.910 247 T HA 0.182 4.482 4.350 -0.084 0.000 0.293 247 T C -1.364 173.350 174.700 0.024 0.000 1.015 247 T CA -1.602 60.507 62.100 0.015 0.000 1.094 247 T CB 0.926 69.803 68.868 0.016 0.000 0.968 247 T HN 0.327 nan 8.240 nan 0.000 0.521 248 P HA -0.104 nan 4.420 nan 0.000 0.221 248 P C 1.385 178.711 177.300 0.042 0.000 1.141 248 P CA 0.719 63.836 63.100 0.028 0.000 0.794 248 P CB 0.158 31.870 31.700 0.020 0.000 0.764 249 L N -1.269 119.985 121.223 0.051 0.000 2.354 249 L HA 0.026 4.316 4.340 -0.084 0.000 0.212 249 L C 2.691 179.600 176.870 0.066 0.000 1.091 249 L CA 0.833 55.716 54.840 0.071 0.000 0.828 249 L CB -0.240 41.874 42.059 0.091 0.000 0.973 249 L HN -0.037 nan 8.230 nan 0.000 0.461 250 Q N -0.853 118.980 119.800 0.055 0.000 2.083 250 Q HA -0.184 4.105 4.340 -0.084 0.000 0.198 250 Q C 2.124 178.161 176.000 0.062 0.000 0.969 250 Q CA 1.083 56.920 55.803 0.057 0.000 0.838 250 Q CB 0.157 28.920 28.738 0.041 0.000 0.900 250 Q HN 0.449 nan 8.270 nan 0.000 0.436 251 Q N 0.911 120.742 119.800 0.050 0.000 2.002 251 Q HA -0.201 4.089 4.340 -0.084 0.000 0.204 251 Q C 1.925 177.965 176.000 0.065 0.000 0.988 251 Q CA 1.328 57.160 55.803 0.049 0.000 0.843 251 Q CB -0.346 28.413 28.738 0.036 0.000 0.908 251 Q HN 0.242 nan 8.270 nan 0.000 0.420 252 K N 0.194 120.633 120.400 0.065 0.000 2.211 252 K HA -0.145 4.125 4.320 -0.084 0.000 0.204 252 K C 1.939 178.604 176.600 0.107 0.000 1.047 252 K CA 0.560 56.891 56.287 0.073 0.000 0.935 252 K CB 0.056 32.590 32.500 0.057 0.000 0.728 252 K HN 0.000 nan 8.250 nan 0.000 0.452 253 L N 0.969 122.260 121.223 0.114 0.000 2.209 253 L HA -0.048 4.242 4.340 -0.084 0.000 0.207 253 L C 1.422 178.422 176.870 0.216 0.000 1.094 253 L CA 1.530 56.475 54.840 0.175 0.000 0.790 253 L CB -0.119 42.022 42.059 0.137 0.000 0.932 253 L HN 0.105 nan 8.230 nan 0.000 0.447 254 D N -0.634 119.850 120.400 0.139 0.000 2.178 254 D HA -0.204 4.386 4.640 -0.084 0.000 0.202 254 D C 1.940 178.301 176.300 0.101 0.000 0.974 254 D CA 0.842 54.907 54.000 0.108 0.000 0.841 254 D CB 0.168 41.011 40.800 0.072 0.000 0.953 254 D HN 0.459 nan 8.370 nan 0.000 0.478 255 E N -0.678 119.592 120.200 0.117 0.000 2.268 255 E HA -0.162 4.138 4.350 -0.084 0.000 0.195 255 E C 1.700 178.395 176.600 0.159 0.000 0.995 255 E CA 0.368 56.830 56.400 0.104 0.000 0.836 255 E CB -0.029 29.730 29.700 0.097 0.000 0.763 255 E HN 0.149 nan 8.360 nan 0.000 0.491 256 F N 0.533 120.499 119.950 0.026 0.000 2.187 256 F HA 0.200 4.677 4.527 -0.082 0.000 0.295 256 F C 1.957 177.769 175.800 0.020 0.000 1.091 256 F CA 1.477 59.495 58.000 0.030 0.000 1.308 256 F CB -0.406 38.622 39.000 0.047 0.000 1.030 256 F HN -0.000 nan 8.300 nan 0.000 0.487 257 G N -0.508 108.304 108.800 0.020 0.000 3.094 257 G HA2 -0.073 3.837 3.960 -0.084 0.000 0.208 257 G HA3 -0.073 3.837 3.960 -0.084 0.000 0.208 257 G C 1.189 176.023 174.900 -0.110 0.000 1.189 257 G CA 0.538 45.583 45.100 -0.091 0.000 0.856 257 G HN 0.504 nan 8.290 nan 0.000 0.510 258 E N -1.033 119.105 120.200 -0.104 0.000 2.399 258 E HA 0.054 4.354 4.350 -0.084 0.000 0.206 258 E C 2.179 178.702 176.600 -0.129 0.000 0.812 258 E CA -0.097 56.241 56.400 -0.103 0.000 1.138 258 E CB 0.223 29.897 29.700 -0.043 0.000 1.140 258 E HN 0.399 nan 8.360 nan 0.000 0.536 259 Q N 0.685 120.411 119.800 -0.123 0.000 2.016 259 Q HA -0.094 4.196 4.340 -0.084 0.000 0.200 259 Q C 2.300 178.192 176.000 -0.180 0.000 0.978 259 Q CA 1.448 57.183 55.803 -0.113 0.000 0.833 259 Q CB 0.036 28.745 28.738 -0.049 0.000 0.895 259 Q HN 0.292 nan 8.270 nan 0.000 0.427 260 L N 0.674 121.710 121.223 -0.312 0.000 1.970 260 L HA -0.265 4.025 4.340 -0.084 0.000 0.212 260 L C 2.798 179.548 176.870 -0.200 0.000 1.071 260 L CA 1.571 56.241 54.840 -0.284 0.000 0.751 260 L CB -0.967 40.844 42.059 -0.414 0.000 0.889 260 L HN 0.359 nan 8.230 nan 0.000 0.432 261 S N -0.064 115.493 115.700 -0.239 0.000 2.378 261 S HA -0.273 4.147 4.470 -0.084 0.000 0.229 261 S C 2.024 176.450 174.600 -0.290 0.000 1.052 261 S CA 1.431 59.430 58.200 -0.336 0.000 1.084 261 S CB -0.366 62.508 63.200 -0.542 0.000 0.950 261 S HN 0.283 nan 8.310 nan 0.000 0.440 262 K N 1.126 121.391 120.400 -0.226 0.000 1.969 262 K HA 0.008 4.278 4.320 -0.084 0.000 0.216 262 K C 2.388 178.937 176.600 -0.085 0.000 1.048 262 K CA 1.402 57.601 56.287 -0.146 0.000 0.948 262 K CB -1.503 30.932 32.500 -0.108 0.000 0.726 262 K HN 0.397 nan 8.250 nan 0.000 0.442 263 V N 2.873 122.742 119.914 -0.075 0.000 2.220 263 V HA -0.312 3.758 4.120 -0.084 0.000 0.250 263 V C 2.555 178.629 176.094 -0.035 0.000 1.056 263 V CA 1.875 64.147 62.300 -0.047 0.000 1.016 263 V CB -0.534 31.261 31.823 -0.048 0.000 0.639 263 V HN 0.213 nan 8.190 nan 0.000 0.446 264 I N 0.443 120.989 120.570 -0.041 0.000 2.074 264 I HA -0.318 3.802 4.170 -0.084 0.000 0.238 264 I C 2.626 178.773 176.117 0.051 0.000 1.037 264 I CA 2.510 63.811 61.300 0.002 0.000 1.301 264 I CB -1.666 36.360 38.000 0.043 0.000 1.016 264 I HN 0.501 nan 8.210 nan 0.000 0.400 265 S N -0.214 115.532 115.700 0.077 0.000 2.547 265 S HA -0.118 4.302 4.470 -0.084 0.000 0.255 265 S C 1.551 176.194 174.600 0.071 0.000 0.977 265 S CA 1.007 59.278 58.200 0.120 0.000 0.960 265 S CB -0.278 62.961 63.200 0.065 0.000 0.746 265 S HN 0.453 nan 8.310 nan 0.000 0.532 266 L N -0.800 120.455 121.223 0.052 0.000 2.902 266 L HA 0.363 4.653 4.340 -0.084 0.000 0.254 266 L C 1.645 178.572 176.870 0.095 0.000 1.115 266 L CA 0.092 54.972 54.840 0.065 0.000 0.947 266 L CB -0.074 42.010 42.059 0.042 0.000 1.369 266 L HN 0.228 nan 8.230 nan 0.000 0.538 267 I N -0.582 120.021 120.570 0.056 0.000 2.546 267 I HA -0.190 3.930 4.170 -0.084 0.000 0.255 267 I C 2.131 178.369 176.117 0.201 0.000 1.163 267 I CA 0.804 62.126 61.300 0.036 0.000 1.457 267 I CB -0.310 37.611 38.000 -0.131 0.000 1.092 267 I HN 0.315 nan 8.210 nan 0.000 0.434 268 C N -0.193 119.194 119.300 0.144 0.000 2.524 268 C HA 0.061 4.471 4.460 -0.084 0.000 0.284 268 C C 2.640 177.731 174.990 0.168 0.000 1.346 268 C CA -0.102 59.010 59.018 0.157 0.000 1.739 268 C CB -0.189 27.588 27.740 0.062 0.000 2.119 268 C HN 0.283 nan 8.230 nan 0.000 0.501 269 V N 1.655 121.648 119.914 0.130 0.000 3.383 269 V HA -0.052 4.017 4.120 -0.084 0.000 0.272 269 V C 2.112 178.330 176.094 0.206 0.000 1.181 269 V CA 1.707 64.091 62.300 0.140 0.000 1.171 269 V CB -1.128 30.748 31.823 0.088 0.000 0.800 269 V HN 0.606 nan 8.190 nan 0.000 0.515 270 A N -1.011 121.943 122.820 0.223 0.000 2.308 270 A HA 0.210 4.479 4.320 -0.084 0.000 0.217 270 A C 1.996 179.680 177.584 0.165 0.000 1.216 270 A CA 0.485 52.653 52.037 0.219 0.000 0.864 270 A CB 0.200 19.378 19.000 0.295 0.000 0.902 270 A HN 0.314 nan 8.150 nan 0.000 0.499 271 V N -2.691 117.348 119.914 0.209 0.000 2.575 271 V HA -0.093 3.977 4.120 -0.084 0.000 0.242 271 V C 1.732 177.931 176.094 0.175 0.000 1.045 271 V CA 0.816 63.190 62.300 0.123 0.000 1.065 271 V CB -0.607 31.338 31.823 0.204 0.000 0.717 271 V HN 0.834 nan 8.190 nan 0.000 0.467 272 W N 0.292 121.666 121.300 0.123 0.000 3.316 272 W HA 0.156 4.765 4.660 -0.085 0.000 0.258 272 W C 1.195 177.845 176.519 0.219 0.000 1.330 272 W CA 0.955 58.446 57.345 0.243 0.000 1.595 272 W CB 0.046 29.651 29.460 0.240 0.000 1.088 272 W HN 0.184 nan 8.180 nan 0.000 0.734 273 L N -0.490 120.826 121.223 0.156 0.000 2.966 273 L HA 0.081 4.371 4.340 -0.084 0.000 0.262 273 L C 2.063 178.859 176.870 -0.124 0.000 1.068 273 L CA 0.195 55.068 54.840 0.054 0.000 1.004 273 L CB -0.304 41.833 42.059 0.131 0.000 1.629 273 L HN -0.055 nan 8.230 nan 0.000 0.542 274 I N -3.017 117.450 120.570 -0.172 0.000 3.111 274 I HA 0.025 4.144 4.170 -0.084 0.000 0.272 274 I C 0.777 176.647 176.117 -0.411 0.000 1.268 274 I CA 0.962 62.104 61.300 -0.263 0.000 1.467 274 I CB -0.190 37.624 38.000 -0.310 0.000 1.087 274 I HN 0.200 nan 8.210 nan 0.000 0.467 275 N N 1.147 119.506 118.700 -0.568 0.000 2.389 275 N HA 0.357 5.046 4.740 -0.084 0.000 0.260 275 N C 1.308 175.926 175.510 -1.487 0.000 1.191 275 N CA 0.003 52.438 53.050 -1.025 0.000 0.885 275 N CB 0.890 38.578 38.487 -1.332 0.000 1.162 275 N HN 0.403 nan 8.380 nan 0.000 0.512 276 I N 0.055 120.049 120.570 -0.960 0.000 2.315 276 I HA -0.132 3.988 4.170 -0.084 0.000 0.248 276 I C 2.114 177.779 176.117 -0.754 0.000 1.117 276 I CA 0.908 61.732 61.300 -0.793 0.000 1.404 276 I CB -0.103 37.770 38.000 -0.211 0.000 1.071 276 I HN 0.179 nan 8.210 nan 0.000 0.419 277 G N -0.314 108.044 108.800 -0.737 0.000 2.615 277 G HA2 -0.201 3.709 3.960 -0.084 0.000 0.213 277 G HA3 -0.201 3.709 3.960 -0.084 0.000 0.213 277 G C 0.858 175.460 174.900 -0.497 0.000 1.135 277 G CA 0.589 45.331 45.100 -0.598 0.000 0.772 277 G HN 0.489 nan 8.290 nan 0.000 0.542 278 H N -1.702 117.089 119.070 -0.464 0.000 3.052 278 H HA 0.248 4.754 4.556 -0.085 0.000 0.257 278 H C 0.875 176.213 175.328 0.016 0.000 1.193 278 H CA -1.164 54.764 56.048 -0.200 0.000 1.072 278 H CB -0.068 29.638 29.762 -0.094 0.000 1.685 278 H HN 0.286 nan 8.280 nan 0.000 0.630 279 F N 2.035 122.062 119.950 0.129 0.000 2.293 279 F HA -0.076 4.400 4.527 -0.085 0.000 0.297 279 F C 2.065 178.000 175.800 0.225 0.000 1.089 279 F CA 1.159 59.264 58.000 0.175 0.000 1.377 279 F CB -0.198 38.811 39.000 0.016 0.000 1.051 279 F HN 0.275 nan 8.300 nan 0.000 0.511 280 N N -0.860 118.053 118.700 0.355 0.000 2.251 280 N HA -0.096 4.594 4.740 -0.084 0.000 0.181 280 N C 0.103 175.714 175.510 0.169 0.000 1.019 280 N CA 0.475 53.684 53.050 0.265 0.000 0.862 280 N CB -0.970 37.665 38.487 0.246 0.000 0.992 280 N HN -0.041 nan 8.380 nan 0.000 0.429 281 D N 2.151 122.643 120.400 0.153 0.000 2.631 281 D HA -0.088 4.502 4.640 -0.084 0.000 0.225 281 D C -1.092 175.208 176.300 -0.001 0.000 1.189 281 D CA -0.206 53.830 54.000 0.061 0.000 0.871 281 D CB 0.328 41.152 40.800 0.041 0.000 1.224 281 D HN 0.178 nan 8.370 nan 0.000 0.510 282 P HA -0.222 nan 4.420 nan 0.000 0.208 282 P C 1.524 178.734 177.300 -0.149 0.000 1.180 282 P CA 1.238 64.286 63.100 -0.087 0.000 0.935 282 P CB -0.093 31.558 31.700 -0.081 0.000 0.785 283 V N 0.272 120.044 119.914 -0.237 0.000 2.402 283 V HA -0.219 3.851 4.120 -0.084 0.000 0.264 283 V C 1.592 177.443 176.094 -0.404 0.000 1.112 283 V CA 2.141 64.224 62.300 -0.362 0.000 1.110 283 V CB -2.021 29.492 31.823 -0.517 0.000 0.689 283 V HN 0.332 nan 8.190 nan 0.000 0.459 284 H N -0.092 118.935 119.070 -0.072 0.000 2.423 284 H HA 0.462 4.968 4.556 -0.083 0.000 0.227 284 H C 1.592 176.893 175.328 -0.046 0.000 1.596 284 H CA 0.126 56.136 56.048 -0.063 0.000 1.207 284 H CB -0.003 29.768 29.762 0.015 0.000 1.595 284 H HN 0.424 nan 8.280 nan 0.000 0.534 285 G N 0.971 109.763 108.800 -0.014 0.000 2.200 285 G HA2 -0.341 3.569 3.960 -0.084 0.000 0.268 285 G HA3 -0.341 3.569 3.960 -0.084 0.000 0.268 285 G C 1.153 175.996 174.900 -0.095 0.000 0.986 285 G CA 0.698 45.749 45.100 -0.081 0.000 0.677 285 G HN 1.029 nan 8.290 nan 0.000 0.532 286 G N -1.407 107.362 108.800 -0.052 0.000 2.372 286 G HA2 0.171 4.081 3.960 -0.084 0.000 0.290 286 G HA3 0.171 4.081 3.960 -0.084 0.000 0.290 286 G C 0.182 175.009 174.900 -0.122 0.000 0.965 286 G CA 1.600 46.663 45.100 -0.062 0.000 1.263 286 G HN 2.106 nan 8.290 nan 0.000 0.498 287 S N -1.265 114.372 115.700 -0.105 0.000 2.588 287 S HA 0.681 5.101 4.470 -0.084 0.000 0.269 287 S C 0.948 175.496 174.600 -0.085 0.000 1.157 287 S CA 0.086 58.103 58.200 -0.304 0.000 0.824 287 S CB 0.547 63.535 63.200 -0.354 0.000 1.126 287 S HN 0.953 nan 8.310 nan 0.000 0.464 288 W N 1.980 123.327 121.300 0.079 0.000 2.476 288 W HA 0.310 4.919 4.660 -0.085 0.000 0.319 288 W C 1.687 178.237 176.519 0.052 0.000 1.132 288 W CA 0.940 58.333 57.345 0.080 0.000 1.325 288 W CB -1.244 28.240 29.460 0.040 0.000 1.215 288 W HN 0.564 nan 8.180 nan 0.000 0.460 289 I N 1.622 122.446 120.570 0.424 0.000 2.576 289 I HA -0.347 3.773 4.170 -0.084 0.000 0.263 289 I C 2.477 178.678 176.117 0.140 0.000 1.183 289 I CA 1.628 63.065 61.300 0.229 0.000 1.432 289 I CB -0.637 37.509 38.000 0.243 0.000 1.100 289 I HN 0.204 nan 8.210 nan 0.000 0.452 290 R N 0.262 120.836 120.500 0.122 0.000 2.119 290 R HA -0.021 4.269 4.340 -0.084 0.000 0.222 290 R C 2.398 178.812 176.300 0.189 0.000 1.088 290 R CA 1.201 57.374 56.100 0.121 0.000 0.984 290 R CB -0.424 29.920 30.300 0.073 0.000 0.884 290 R HN 0.421 nan 8.270 nan 0.000 0.447 291 G N 0.445 109.406 108.800 0.268 0.000 2.551 291 G HA2 -0.080 3.830 3.960 -0.084 0.000 0.216 291 G HA3 -0.080 3.830 3.960 -0.084 0.000 0.216 291 G C 1.318 176.555 174.900 0.562 0.000 1.137 291 G CA 0.412 45.751 45.100 0.399 0.000 0.798 291 G HN 0.332 nan 8.290 nan 0.000 0.536 292 A N 0.788 123.700 122.820 0.153 0.000 2.239 292 A HA 0.277 4.547 4.320 -0.084 0.000 0.209 292 A C 1.939 179.783 177.584 0.434 0.000 1.171 292 A CA 0.991 52.933 52.037 -0.159 0.000 0.768 292 A CB -0.497 18.352 19.000 -0.253 0.000 0.790 292 A HN 0.773 nan 8.150 nan 0.000 0.478 293 I N -6.209 114.570 120.570 0.349 0.000 4.240 293 I HA 0.344 4.464 4.170 -0.084 0.000 0.331 293 I C 1.476 177.805 176.117 0.352 0.000 1.381 293 I CA -0.101 61.370 61.300 0.285 0.000 1.136 293 I CB 0.126 38.185 38.000 0.099 0.000 1.137 293 I HN 0.113 nan 8.210 nan 0.000 0.411 294 Y N 1.116 121.546 120.300 0.217 0.000 2.396 294 Y HA 0.167 4.665 4.550 -0.088 0.000 0.292 294 Y C 1.510 177.434 175.900 0.040 0.000 1.128 294 Y CA 1.071 59.180 58.100 0.014 0.000 1.194 294 Y CB -0.088 38.162 38.460 -0.350 0.000 1.124 294 Y HN 0.057 nan 8.280 nan 0.000 0.543 295 Y N -0.741 119.678 120.300 0.199 0.000 2.583 295 Y HA -0.052 4.450 4.550 -0.080 0.000 0.293 295 Y C 1.894 178.075 175.900 0.468 0.000 1.157 295 Y CA 0.924 59.128 58.100 0.174 0.000 1.315 295 Y CB -0.451 38.188 38.460 0.299 0.000 1.021 295 Y HN 0.309 nan 8.280 nan 0.000 0.536 296 F N 0.778 121.057 119.950 0.548 0.000 2.118 296 F HA -0.084 4.385 4.527 -0.096 0.000 0.293 296 F C 2.044 177.903 175.800 0.099 0.000 1.102 296 F CA 1.465 59.681 58.000 0.360 0.000 1.247 296 F CB -0.219 38.905 39.000 0.206 0.000 1.017 296 F HN -0.242 nan 8.300 nan 0.000 0.475 297 K N 0.568 121.106 120.400 0.229 0.000 2.044 297 K HA -0.215 4.055 4.320 -0.084 0.000 0.210 297 K C 2.112 178.635 176.600 -0.129 0.000 1.049 297 K CA 2.224 58.524 56.287 0.021 0.000 0.927 297 K CB -0.505 32.000 32.500 0.008 0.000 0.713 297 K HN 0.370 nan 8.250 nan 0.000 0.443 298 I N 0.906 121.351 120.570 -0.208 0.000 2.127 298 I HA -0.319 3.801 4.170 -0.084 0.000 0.241 298 I C 2.591 178.663 176.117 -0.075 0.000 1.075 298 I CA 1.253 62.448 61.300 -0.175 0.000 1.334 298 I CB -0.514 37.355 38.000 -0.219 0.000 1.040 298 I HN 0.206 nan 8.210 nan 0.000 0.405 299 A N 0.593 123.395 122.820 -0.029 0.000 1.841 299 A HA -0.182 4.088 4.320 -0.084 0.000 0.216 299 A C 2.334 179.821 177.584 -0.161 0.000 1.199 299 A CA 1.895 53.910 52.037 -0.036 0.000 0.621 299 A CB -1.205 17.798 19.000 0.006 0.000 0.835 299 A HN 0.224 nan 8.150 nan 0.000 0.445 300 V N -0.169 119.541 119.914 -0.341 0.000 2.794 300 V HA -0.253 3.817 4.120 -0.084 0.000 0.260 300 V C 2.710 178.671 176.094 -0.222 0.000 1.103 300 V CA 1.854 63.930 62.300 -0.372 0.000 1.125 300 V CB -1.198 30.293 31.823 -0.553 0.000 0.702 300 V HN 0.671 nan 8.190 nan 0.000 0.494 301 A N -0.324 122.401 122.820 -0.158 0.000 1.862 301 A HA -0.006 4.264 4.320 -0.084 0.000 0.211 301 A C 2.009 179.545 177.584 -0.080 0.000 1.220 301 A CA 1.084 53.058 52.037 -0.106 0.000 0.616 301 A CB -0.609 18.340 19.000 -0.086 0.000 0.878 301 A HN 0.383 nan 8.150 nan 0.000 0.453 302 L N 0.419 121.609 121.223 -0.055 0.000 2.103 302 L HA -0.229 4.061 4.340 -0.084 0.000 0.215 302 L C 2.473 179.320 176.870 -0.039 0.000 1.080 302 L CA 2.204 57.029 54.840 -0.024 0.000 0.764 302 L CB -0.969 41.104 42.059 0.024 0.000 0.890 302 L HN 0.430 nan 8.230 nan 0.000 0.435 303 A N -0.998 121.785 122.820 -0.062 0.000 1.827 303 A HA -0.212 4.058 4.320 -0.084 0.000 0.215 303 A C 2.211 179.751 177.584 -0.073 0.000 1.212 303 A CA 2.641 54.639 52.037 -0.063 0.000 0.624 303 A CB -1.405 17.519 19.000 -0.126 0.000 0.853 303 A HN 0.266 nan 8.150 nan 0.000 0.450 304 V N 0.082 119.929 119.914 -0.110 0.000 2.280 304 V HA -0.406 3.663 4.120 -0.084 0.000 0.258 304 V C 3.003 179.057 176.094 -0.067 0.000 1.081 304 V CA 2.644 64.887 62.300 -0.095 0.000 1.070 304 V CB -1.458 30.307 31.823 -0.097 0.000 0.666 304 V HN 0.715 nan 8.190 nan 0.000 0.450 305 A N -0.734 122.049 122.820 -0.061 0.000 1.972 305 A HA -0.050 4.220 4.320 -0.084 0.000 0.219 305 A C 2.338 179.881 177.584 -0.069 0.000 1.169 305 A CA 2.184 54.187 52.037 -0.057 0.000 0.635 305 A CB -0.580 18.394 19.000 -0.044 0.000 0.810 305 A HN 0.657 nan 8.150 nan 0.000 0.446 306 A N -0.181 122.600 122.820 -0.064 0.000 1.935 306 A HA 0.240 4.510 4.320 -0.084 0.000 0.214 306 A C 1.096 178.637 177.584 -0.072 0.000 1.178 306 A CA 0.251 52.242 52.037 -0.076 0.000 0.640 306 A CB -0.453 18.508 19.000 -0.065 0.000 0.825 306 A HN 0.432 nan 8.150 nan 0.000 0.447 307 I N 3.233 123.778 120.570 -0.041 0.000 3.115 307 I HA -0.014 4.106 4.170 -0.084 0.000 0.298 307 I C -1.911 174.187 176.117 -0.031 0.000 1.162 307 I CA -0.860 60.429 61.300 -0.018 0.000 1.648 307 I CB -0.205 37.807 38.000 0.021 0.000 1.551 307 I HN 0.222 nan 8.210 nan 0.000 0.764 308 P HA -0.033 nan 4.420 nan 0.000 0.254 308 P C -0.408 176.913 177.300 0.035 0.000 1.186 308 P CA 0.336 63.402 63.100 -0.056 0.000 0.868 308 P CB 0.337 31.972 31.700 -0.108 0.000 0.856 309 E N 2.003 122.241 120.200 0.064 0.000 2.280 309 E HA 0.514 4.814 4.350 -0.084 0.000 0.264 309 E C 1.534 178.277 176.600 0.237 0.000 1.064 309 E CA 0.147 56.612 56.400 0.108 0.000 0.900 309 E CB 0.120 29.854 29.700 0.057 0.000 1.123 309 E HN 0.550 nan 8.360 nan 0.000 0.418 310 G N -0.026 108.896 108.800 0.204 0.000 2.268 310 G HA2 -0.321 3.589 3.960 -0.084 0.000 0.240 310 G HA3 -0.321 3.589 3.960 -0.084 0.000 0.240 310 G C 0.843 175.838 174.900 0.159 0.000 1.010 310 G CA 0.368 45.591 45.100 0.205 0.000 0.618 310 G HN 0.443 nan 8.290 nan 0.000 0.516 311 L N 2.255 123.718 121.223 0.400 0.000 1.976 311 L HA 0.000 4.290 4.340 -0.084 0.000 0.223 311 L C 0.591 177.527 176.870 0.111 0.000 1.081 311 L CA 3.697 58.787 54.840 0.417 0.000 0.784 311 L CB -1.480 40.862 42.059 0.473 0.000 0.896 311 L HN 0.278 nan 8.230 nan 0.000 0.438 312 P HA -0.223 nan 4.420 nan 0.000 0.215 312 P C 1.570 178.890 177.300 0.033 0.000 1.163 312 P CA 2.477 65.636 63.100 0.097 0.000 0.894 312 P CB -0.248 31.546 31.700 0.157 0.000 0.791 313 A N -0.974 121.863 122.820 0.029 0.000 1.902 313 A HA -0.159 4.110 4.320 -0.084 0.000 0.217 313 A C 2.327 179.853 177.584 -0.097 0.000 1.181 313 A CA 1.876 53.910 52.037 -0.005 0.000 0.623 313 A CB -1.698 17.319 19.000 0.029 0.000 0.818 313 A HN 0.021 nan 8.150 nan 0.000 0.443 314 V N 0.314 120.095 119.914 -0.222 0.000 2.261 314 V HA -0.296 3.774 4.120 -0.084 0.000 0.246 314 V C 2.404 178.316 176.094 -0.305 0.000 1.047 314 V CA 2.034 64.092 62.300 -0.404 0.000 1.015 314 V CB -0.789 30.414 31.823 -1.034 0.000 0.642 314 V HN 0.571 nan 8.190 nan 0.000 0.446 315 I N 0.303 120.737 120.570 -0.228 0.000 2.053 315 I HA -0.349 3.771 4.170 -0.084 0.000 0.236 315 I C 2.576 178.620 176.117 -0.122 0.000 1.038 315 I CA 2.349 63.570 61.300 -0.131 0.000 1.304 315 I CB -0.864 37.108 38.000 -0.046 0.000 1.023 315 I HN 0.327 nan 8.210 nan 0.000 0.395 316 T N 0.124 114.626 114.554 -0.088 0.000 2.836 316 T HA -0.221 4.079 4.350 -0.084 0.000 0.268 316 T C 1.619 176.250 174.700 -0.115 0.000 1.080 316 T CA 1.911 63.964 62.100 -0.078 0.000 1.128 316 T CB -0.462 68.378 68.868 -0.046 0.000 0.839 316 T HN 0.483 nan 8.240 nan 0.000 0.507 317 T N 0.826 115.284 114.554 -0.160 0.000 2.755 317 T HA -0.043 4.257 4.350 -0.084 0.000 0.251 317 T C 2.354 176.890 174.700 -0.273 0.000 1.044 317 T CA 0.969 62.930 62.100 -0.231 0.000 1.154 317 T CB -0.752 67.952 68.868 -0.272 0.000 0.866 317 T HN 0.455 nan 8.240 nan 0.000 0.416 318 C N 1.539 120.680 119.300 -0.264 0.000 2.363 318 C HA -0.116 4.294 4.460 -0.084 0.000 0.274 318 C C 2.627 177.516 174.990 -0.169 0.000 1.183 318 C CA 0.443 59.326 59.018 -0.225 0.000 1.771 318 C CB -1.520 26.123 27.740 -0.163 0.000 2.059 318 C HN 0.409 nan 8.230 nan 0.000 0.455 319 L N 1.470 122.613 121.223 -0.132 0.000 1.971 319 L HA -0.142 4.148 4.340 -0.084 0.000 0.215 319 L C 2.681 179.485 176.870 -0.111 0.000 1.072 319 L CA 2.510 57.292 54.840 -0.097 0.000 0.758 319 L CB -1.271 40.742 42.059 -0.077 0.000 0.889 319 L HN 0.343 nan 8.230 nan 0.000 0.433 320 A N -0.834 121.909 122.820 -0.129 0.000 1.851 320 A HA -0.214 4.056 4.320 -0.084 0.000 0.216 320 A C 2.284 179.781 177.584 -0.145 0.000 1.195 320 A CA 2.098 54.059 52.037 -0.127 0.000 0.622 320 A CB -1.091 17.832 19.000 -0.129 0.000 0.831 320 A HN 0.467 nan 8.150 nan 0.000 0.444 321 L N -0.542 120.557 121.223 -0.206 0.000 2.129 321 L HA -0.183 4.107 4.340 -0.084 0.000 0.212 321 L C 2.753 179.529 176.870 -0.157 0.000 1.087 321 L CA 1.069 55.776 54.840 -0.223 0.000 0.757 321 L CB -0.694 41.142 42.059 -0.371 0.000 0.896 321 L HN 0.546 nan 8.230 nan 0.000 0.434 322 G N -1.158 107.558 108.800 -0.139 0.000 2.414 322 G HA2 -0.211 3.699 3.960 -0.084 0.000 0.215 322 G HA3 -0.211 3.699 3.960 -0.084 0.000 0.215 322 G C 1.556 176.411 174.900 -0.076 0.000 1.188 322 G CA 1.075 46.116 45.100 -0.097 0.000 0.783 322 G HN 0.253 nan 8.290 nan 0.000 0.537 323 T N 0.643 115.151 114.554 -0.076 0.000 2.759 323 T HA -0.149 4.150 4.350 -0.084 0.000 0.269 323 T C 2.405 177.072 174.700 -0.055 0.000 1.042 323 T CA 1.588 63.651 62.100 -0.062 0.000 1.140 323 T CB -0.123 68.703 68.868 -0.069 0.000 0.864 323 T HN 0.277 nan 8.240 nan 0.000 0.455 324 R N 1.268 121.729 120.500 -0.065 0.000 2.083 324 R HA 0.029 4.319 4.340 -0.084 0.000 0.237 324 R C 2.405 178.680 176.300 -0.042 0.000 1.137 324 R CA 1.593 57.661 56.100 -0.052 0.000 0.951 324 R CB -0.394 29.867 30.300 -0.066 0.000 0.851 324 R HN 0.272 nan 8.270 nan 0.000 0.434 325 R N -0.616 119.853 120.500 -0.053 0.000 2.081 325 R HA -0.067 4.223 4.340 -0.084 0.000 0.235 325 R C 2.298 178.578 176.300 -0.033 0.000 1.131 325 R CA 2.084 58.158 56.100 -0.042 0.000 0.960 325 R CB -0.173 30.096 30.300 -0.052 0.000 0.856 325 R HN 0.301 nan 8.270 nan 0.000 0.436 326 M N -0.614 118.964 119.600 -0.037 0.000 2.086 326 M HA -0.129 4.301 4.480 -0.084 0.000 0.261 326 M C 2.474 178.760 176.300 -0.023 0.000 1.067 326 M CA 1.742 57.022 55.300 -0.032 0.000 1.116 326 M CB -0.306 32.273 32.600 -0.035 0.000 1.348 326 M HN 0.239 nan 8.290 nan 0.000 0.407 327 A N 0.554 123.362 122.820 -0.019 0.000 1.917 327 A HA -0.212 4.058 4.320 -0.084 0.000 0.219 327 A C 2.112 179.693 177.584 -0.005 0.000 1.182 327 A CA 1.886 53.918 52.037 -0.008 0.000 0.633 327 A CB -0.681 18.319 19.000 -0.001 0.000 0.819 327 A HN 0.434 nan 8.150 nan 0.000 0.448 328 K N -0.396 119.999 120.400 -0.008 0.000 2.152 328 K HA -0.126 4.143 4.320 -0.084 0.000 0.206 328 K C 1.182 177.779 176.600 -0.005 0.000 1.048 328 K CA 1.524 57.809 56.287 -0.004 0.000 0.933 328 K CB -0.114 32.383 32.500 -0.004 0.000 0.721 328 K HN 0.431 nan 8.250 nan 0.000 0.447 329 K N 0.457 120.851 120.400 -0.011 0.000 2.469 329 K HA 0.088 4.358 4.320 -0.084 0.000 0.201 329 K C -0.232 176.360 176.600 -0.015 0.000 1.028 329 K CA -0.014 56.265 56.287 -0.014 0.000 1.170 329 K CB 0.315 32.802 32.500 -0.022 0.000 0.874 329 K HN 0.155 nan 8.250 nan 0.000 0.507 330 N N -0.359 118.335 118.700 -0.009 0.000 2.901 330 N HA -0.153 4.537 4.740 -0.084 0.000 0.248 330 N C -0.727 174.776 175.510 -0.011 0.000 1.044 330 N CA 0.984 54.029 53.050 -0.007 0.000 0.847 330 N CB -1.172 37.311 38.487 -0.007 0.000 1.127 330 N HN 0.289 nan 8.380 nan 0.000 0.562 331 A N 1.057 123.867 122.820 -0.015 0.000 2.412 331 A HA 0.541 4.811 4.320 -0.084 0.000 0.334 331 A C 0.424 178.003 177.584 -0.010 0.000 1.419 331 A CA -0.474 51.552 52.037 -0.019 0.000 0.930 331 A CB 0.238 19.219 19.000 -0.032 0.000 1.149 331 A HN 0.182 nan 8.150 nan 0.000 0.515 332 I N 3.944 124.515 120.570 0.002 0.000 2.294 332 I HA 0.122 4.242 4.170 -0.084 0.000 0.295 332 I C 0.188 176.311 176.117 0.011 0.000 1.098 332 I CA -0.309 61.001 61.300 0.017 0.000 1.277 332 I CB 0.269 38.293 38.000 0.040 0.000 1.434 332 I HN 0.215 nan 8.210 nan 0.000 0.498 333 V N 8.403 128.313 119.914 -0.006 0.000 2.521 333 V HA 0.146 4.216 4.120 -0.084 0.000 0.286 333 V C 1.575 177.657 176.094 -0.020 0.000 1.034 333 V CA -0.101 62.189 62.300 -0.018 0.000 1.045 333 V CB 0.643 32.445 31.823 -0.034 0.000 0.974 333 V HN 0.674 nan 8.190 nan 0.000 0.480 334 R N 2.103 122.596 120.500 -0.011 0.000 2.265 334 R HA 0.158 4.448 4.340 -0.084 0.000 0.194 334 R C 0.646 176.924 176.300 -0.037 0.000 0.931 334 R CA 0.278 56.372 56.100 -0.009 0.000 1.032 334 R CB 0.527 30.840 30.300 0.022 0.000 0.980 334 R HN 0.578 nan 8.270 nan 0.000 0.497 335 S N 0.648 116.326 115.700 -0.036 0.000 2.745 335 S HA 0.271 4.690 4.470 -0.084 0.000 0.283 335 S C 0.947 175.521 174.600 -0.043 0.000 1.170 335 S CA -0.568 57.608 58.200 -0.040 0.000 1.119 335 S CB 0.557 63.742 63.200 -0.025 0.000 1.035 335 S HN 0.140 nan 8.310 nan 0.000 0.483 336 L N 5.309 126.498 121.223 -0.056 0.000 1.978 336 L HA -0.075 4.215 4.340 -0.084 0.000 0.218 336 L C -0.292 176.558 176.870 -0.034 0.000 1.075 336 L CA 1.774 56.583 54.840 -0.051 0.000 0.767 336 L CB -1.465 40.558 42.059 -0.060 0.000 0.890 336 L HN 0.534 nan 8.230 nan 0.000 0.434 337 P HA -0.205 nan 4.420 nan 0.000 0.219 337 P C 1.566 178.859 177.300 -0.011 0.000 1.144 337 P CA 2.097 65.188 63.100 -0.016 0.000 0.806 337 P CB -0.062 31.628 31.700 -0.016 0.000 0.771 338 S N 0.005 115.695 115.700 -0.016 0.000 2.406 338 S HA -0.090 4.330 4.470 -0.084 0.000 0.224 338 S C 2.101 176.693 174.600 -0.013 0.000 1.030 338 S CA 1.055 59.246 58.200 -0.014 0.000 0.958 338 S CB -1.797 61.393 63.200 -0.016 0.000 0.811 338 S HN 0.120 nan 8.310 nan 0.000 0.489 339 V N 0.722 120.626 119.914 -0.017 0.000 2.636 339 V HA -0.209 3.861 4.120 -0.084 0.000 0.258 339 V C 2.343 178.435 176.094 -0.002 0.000 1.092 339 V CA 2.313 64.604 62.300 -0.015 0.000 1.110 339 V CB -1.244 30.566 31.823 -0.022 0.000 0.685 339 V HN 0.659 nan 8.190 nan 0.000 0.481 340 E N 1.590 121.794 120.200 0.006 0.000 2.031 340 E HA -0.255 4.044 4.350 -0.084 0.000 0.193 340 E C 2.351 178.956 176.600 0.008 0.000 0.994 340 E CA 2.431 58.846 56.400 0.025 0.000 0.800 340 E CB -0.367 29.350 29.700 0.029 0.000 0.752 340 E HN 0.899 nan 8.360 nan 0.000 0.447 341 T N 0.210 114.762 114.554 -0.003 0.000 2.708 341 T HA -0.220 4.080 4.350 -0.084 0.000 0.266 341 T C 2.059 176.746 174.700 -0.023 0.000 1.037 341 T CA 1.251 63.343 62.100 -0.014 0.000 1.146 341 T CB -0.715 68.146 68.868 -0.011 0.000 0.865 341 T HN 0.186 nan 8.240 nan 0.000 0.435 342 L N 2.307 123.518 121.223 -0.020 0.000 2.198 342 L HA -0.086 4.204 4.340 -0.084 0.000 0.218 342 L C 2.384 179.233 176.870 -0.036 0.000 1.084 342 L CA 2.131 56.955 54.840 -0.027 0.000 0.779 342 L CB -0.957 41.086 42.059 -0.026 0.000 0.890 342 L HN 0.553 nan 8.230 nan 0.000 0.439 343 G N -3.408 105.368 108.800 -0.040 0.000 3.141 343 G HA2 -0.001 3.909 3.960 -0.084 0.000 0.218 343 G HA3 -0.001 3.909 3.960 -0.084 0.000 0.218 343 G C 0.910 175.760 174.900 -0.083 0.000 1.170 343 G CA 0.474 45.538 45.100 -0.060 0.000 0.769 343 G HN 0.503 nan 8.290 nan 0.000 0.546 344 C N 0.934 120.194 119.300 -0.066 0.000 3.104 344 C HA 0.253 4.663 4.460 -0.084 0.000 0.284 344 C C 1.142 176.108 174.990 -0.040 0.000 1.326 344 C CA -0.725 58.254 59.018 -0.065 0.000 1.725 344 C CB -0.969 26.736 27.740 -0.059 0.000 2.156 344 C HN 0.252 nan 8.230 nan 0.000 0.638 345 T N 2.045 116.578 114.554 -0.035 0.000 2.867 345 T HA 0.137 4.437 4.350 -0.084 0.000 0.297 345 T C 1.111 175.802 174.700 -0.015 0.000 0.989 345 T CA 0.684 62.771 62.100 -0.021 0.000 1.159 345 T CB 0.535 69.388 68.868 -0.026 0.000 0.928 345 T HN 0.655 nan 8.240 nan 0.000 0.538 346 S N 1.086 116.786 115.700 0.000 0.000 2.632 346 S HA 0.410 4.830 4.470 -0.084 0.000 0.237 346 S C 0.103 174.715 174.600 0.021 0.000 1.037 346 S CA -0.483 57.721 58.200 0.006 0.000 1.009 346 S CB 0.440 63.645 63.200 0.009 0.000 0.974 346 S HN 0.434 nan 8.310 nan 0.000 0.544 347 V N 2.273 122.206 119.914 0.031 0.000 2.737 347 V HA 0.440 4.510 4.120 -0.084 0.000 0.298 347 V C -1.290 174.839 176.094 0.058 0.000 1.163 347 V CA -0.698 61.631 62.300 0.049 0.000 0.925 347 V CB 1.763 33.623 31.823 0.062 0.000 1.037 347 V HN 0.397 nan 8.190 nan 0.000 0.433 348 I N 3.400 124.019 120.570 0.081 0.000 2.377 348 I HA 0.472 4.592 4.170 -0.084 0.000 0.293 348 I C -0.383 175.810 176.117 0.126 0.000 0.987 348 I CA -0.300 61.065 61.300 0.109 0.000 1.185 348 I CB 1.662 39.758 38.000 0.160 0.000 1.341 348 I HN 0.511 nan 8.210 nan 0.000 0.455 349 C N 4.722 124.085 119.300 0.106 0.000 2.264 349 C HA 0.519 4.928 4.460 -0.084 0.000 0.322 349 C C 0.542 175.588 174.990 0.095 0.000 1.210 349 C CA -0.287 58.787 59.018 0.093 0.000 1.539 349 C CB 0.250 28.031 27.740 0.067 0.000 2.167 349 C HN 0.803 nan 8.230 nan 0.000 0.463 350 S N 2.347 118.100 115.700 0.088 0.000 2.568 350 S HA 0.510 4.930 4.470 -0.084 0.000 0.302 350 S C -0.826 173.784 174.600 0.017 0.000 1.082 350 S CA -0.504 57.743 58.200 0.078 0.000 1.009 350 S CB 0.833 64.112 63.200 0.131 0.000 1.069 350 S HN 0.730 nan 8.310 nan 0.000 0.500 351 D N 2.205 122.618 120.400 0.021 0.000 2.283 351 D HA 0.217 4.807 4.640 -0.084 0.000 0.248 351 D C 0.691 176.976 176.300 -0.025 0.000 1.072 351 D CA -0.337 53.665 54.000 0.003 0.000 0.929 351 D CB 1.484 42.291 40.800 0.011 0.000 1.182 351 D HN 0.565 nan 8.370 nan 0.000 0.433 352 K N 0.638 121.018 120.400 -0.033 0.000 1.992 352 K HA -0.049 4.221 4.320 -0.084 0.000 0.210 352 K C 0.578 177.155 176.600 -0.037 0.000 1.036 352 K CA 0.480 56.733 56.287 -0.056 0.000 0.946 352 K CB -0.239 32.232 32.500 -0.048 0.000 0.742 352 K HN 0.260 nan 8.250 nan 0.000 0.442 353 T N 0.160 114.701 114.554 -0.021 0.000 2.750 353 T HA 0.098 4.398 4.350 -0.084 0.000 0.277 353 T C 0.730 175.425 174.700 -0.008 0.000 0.996 353 T CA 1.218 63.309 62.100 -0.014 0.000 1.195 353 T CB -0.134 68.731 68.868 -0.005 0.000 0.963 353 T HN 0.689 nan 8.240 nan 0.000 0.516 354 G N 4.043 112.836 108.800 -0.011 0.000 2.363 354 G HA2 -0.325 3.585 3.960 -0.084 0.000 0.238 354 G HA3 -0.325 3.585 3.960 -0.084 0.000 0.238 354 G C 1.163 176.068 174.900 0.008 0.000 1.062 354 G CA 0.775 45.873 45.100 -0.004 0.000 0.629 354 G HN 0.700 nan 8.290 nan 0.000 0.514 355 T N 0.333 114.896 114.554 0.015 0.000 2.980 355 T HA 0.341 4.641 4.350 -0.084 0.000 0.239 355 T C 2.350 177.084 174.700 0.057 0.000 1.011 355 T CA 1.190 63.320 62.100 0.051 0.000 1.171 355 T CB 0.001 68.910 68.868 0.068 0.000 0.873 355 T HN 0.183 nan 8.240 nan 0.000 0.431 356 L N 0.290 121.497 121.223 -0.026 0.000 2.307 356 L HA 0.223 4.513 4.340 -0.084 0.000 0.211 356 L C 0.896 177.723 176.870 -0.072 0.000 1.099 356 L CA 0.730 55.502 54.840 -0.113 0.000 0.816 356 L CB 0.285 42.189 42.059 -0.257 0.000 0.952 356 L HN 0.169 nan 8.230 nan 0.000 0.455 357 T N -2.107 112.416 114.554 -0.052 0.000 2.908 357 T HA 0.175 4.475 4.350 -0.084 0.000 0.290 357 T C 1.035 175.711 174.700 -0.040 0.000 1.034 357 T CA -0.021 62.050 62.100 -0.049 0.000 1.010 357 T CB 1.966 70.802 68.868 -0.053 0.000 1.068 357 T HN 0.185 nan 8.240 nan 0.000 0.481 358 T N 0.304 114.825 114.554 -0.054 0.000 2.942 358 T HA -0.002 4.298 4.350 -0.084 0.000 0.265 358 T C 0.996 175.649 174.700 -0.079 0.000 1.062 358 T CA 1.350 63.408 62.100 -0.070 0.000 1.139 358 T CB -0.409 68.395 68.868 -0.107 0.000 0.883 358 T HN 0.845 nan 8.240 nan 0.000 0.468 359 N N 0.883 119.540 118.700 -0.072 0.000 2.776 359 N HA -0.169 4.521 4.740 -0.084 0.000 0.249 359 N C -1.201 174.262 175.510 -0.078 0.000 1.111 359 N CA 0.349 53.369 53.050 -0.049 0.000 0.711 359 N CB -0.887 37.589 38.487 -0.019 0.000 1.065 359 N HN 0.737 nan 8.380 nan 0.000 0.556 360 Q N 0.744 120.425 119.800 -0.198 0.000 2.275 360 Q HA 0.329 4.619 4.340 -0.084 0.000 0.266 360 Q C -0.308 175.484 176.000 -0.347 0.000 1.002 360 Q CA -0.747 54.752 55.803 -0.508 0.000 0.761 360 Q CB 1.538 29.699 28.738 -0.962 0.000 1.255 360 Q HN 0.169 nan 8.270 nan 0.000 0.446 361 M N 1.688 121.271 119.600 -0.028 0.000 2.249 361 M HA 0.175 4.605 4.480 -0.084 0.000 0.340 361 M C -0.330 176.001 176.300 0.051 0.000 1.166 361 M CA 0.851 56.190 55.300 0.065 0.000 1.115 361 M CB 0.418 33.113 32.600 0.160 0.000 1.606 361 M HN 0.525 nan 8.290 nan 0.000 0.448 362 S N 2.084 117.790 115.700 0.010 0.000 2.575 362 S HA 0.516 4.936 4.470 -0.084 0.000 0.278 362 S C -0.708 173.894 174.600 0.003 0.000 1.139 362 S CA -0.906 57.296 58.200 0.003 0.000 0.954 362 S CB 1.911 65.080 63.200 -0.051 0.000 1.054 362 S HN 0.437 nan 8.310 nan 0.000 0.483 363 V N 2.560 122.482 119.914 0.014 0.000 2.488 363 V HA 0.165 4.235 4.120 -0.084 0.000 0.277 363 V C 1.148 177.228 176.094 -0.025 0.000 1.046 363 V CA -0.287 62.015 62.300 0.004 0.000 0.986 363 V CB 0.525 32.359 31.823 0.019 0.000 0.989 363 V HN 1.223 nan 8.190 nan 0.000 0.475 364 C N 2.577 121.841 119.300 -0.060 0.000 3.559 364 C HA 0.512 4.922 4.460 -0.084 0.000 0.314 364 C C 0.425 175.332 174.990 -0.139 0.000 1.419 364 C CA -0.570 58.395 59.018 -0.088 0.000 1.775 364 C CB -0.868 26.810 27.740 -0.103 0.000 2.430 364 C HN 0.760 nan 8.230 nan 0.000 0.686 365 K N 1.695 121.985 120.400 -0.184 0.000 2.498 365 K HA 0.711 4.981 4.320 -0.084 0.000 0.254 365 K C -1.067 175.526 176.600 -0.013 0.000 0.933 365 K CA -0.245 55.850 56.287 -0.320 0.000 0.806 365 K CB 2.227 34.110 32.500 -1.029 0.000 1.301 365 K HN 0.602 nan 8.250 nan 0.000 0.432 366 M N 1.282 121.075 119.600 0.323 0.000 2.490 366 M HA 0.592 5.021 4.480 -0.084 0.000 0.286 366 M C -1.829 174.912 176.300 0.734 0.000 1.185 366 M CA -0.879 54.765 55.300 0.575 0.000 0.912 366 M CB 1.656 34.416 32.600 0.267 0.000 1.744 366 M HN 0.549 nan 8.290 nan 0.000 0.494 367 F N 2.082 122.286 119.950 0.424 0.000 2.726 367 F HA 0.986 5.463 4.527 -0.084 0.000 0.324 367 F C -1.511 174.402 175.800 0.189 0.000 1.140 367 F CA -1.012 57.136 58.000 0.248 0.000 0.964 367 F CB 1.308 40.355 39.000 0.080 0.000 1.399 367 F HN 0.876 nan 8.300 nan 0.000 0.491 368 I N -1.289 119.409 120.570 0.213 0.000 3.099 368 I HA 0.520 4.640 4.170 -0.084 0.000 0.308 368 I C -1.652 174.657 176.117 0.320 0.000 1.405 368 I CA -1.269 60.100 61.300 0.115 0.000 0.953 368 I CB 1.768 39.804 38.000 0.060 0.000 1.324 368 I HN 0.557 nan 8.210 nan 0.000 0.495 369 I N 2.386 123.134 120.570 0.298 0.000 2.696 369 I HA 0.175 4.295 4.170 -0.084 0.000 0.284 369 I C 0.748 176.984 176.117 0.199 0.000 1.129 369 I CA 0.672 62.127 61.300 0.260 0.000 1.410 369 I CB 0.325 38.472 38.000 0.245 0.000 1.399 369 I HN 0.703 nan 8.210 nan 0.000 0.579 370 D N 3.515 124.014 120.400 0.165 0.000 2.943 370 D HA 0.187 4.777 4.640 -0.084 0.000 0.282 370 D C 0.063 176.436 176.300 0.122 0.000 1.148 370 D CA 0.964 55.054 54.000 0.150 0.000 1.006 370 D CB 0.599 41.475 40.800 0.127 0.000 1.168 370 D HN 0.441 nan 8.370 nan 0.000 0.450 371 K N -0.850 119.613 120.400 0.104 0.000 2.443 371 K HA 0.547 4.817 4.320 -0.084 0.000 0.251 371 K C -0.480 176.171 176.600 0.086 0.000 0.972 371 K CA -0.661 55.678 56.287 0.087 0.000 0.833 371 K CB 3.366 35.911 32.500 0.076 0.000 1.317 371 K HN -0.181 nan 8.250 nan 0.000 0.441 372 V N -1.680 118.276 119.914 0.071 0.000 3.523 372 V HA -0.041 4.029 4.120 -0.084 0.000 0.273 372 V C 0.565 176.678 176.094 0.031 0.000 1.675 372 V CA -0.181 62.155 62.300 0.060 0.000 1.079 372 V CB 0.435 32.297 31.823 0.064 0.000 0.901 372 V HN 0.664 nan 8.190 nan 0.000 0.406 373 D N 3.115 123.533 120.400 0.029 0.000 2.172 373 D HA -0.138 4.451 4.640 -0.084 0.000 0.196 373 D C 1.892 178.177 176.300 -0.024 0.000 0.999 373 D CA 2.116 56.121 54.000 0.007 0.000 0.856 373 D CB -0.086 40.723 40.800 0.015 0.000 0.934 373 D HN 0.603 nan 8.370 nan 0.000 0.453 374 G N 0.168 108.953 108.800 -0.025 0.000 3.591 374 G HA2 0.051 3.961 3.960 -0.084 0.000 0.282 374 G HA3 0.051 3.961 3.960 -0.084 0.000 0.282 374 G C -0.225 174.517 174.900 -0.262 0.000 1.238 374 G CA -0.292 44.754 45.100 -0.090 0.000 0.993 374 G HN -0.086 nan 8.290 nan 0.000 0.542 375 D N -0.940 119.328 120.400 -0.220 0.000 3.018 375 D HA -0.173 4.417 4.640 -0.084 0.000 0.224 375 D C -0.475 175.620 176.300 -0.342 0.000 1.185 375 D CA 1.204 55.015 54.000 -0.316 0.000 0.858 375 D CB -1.125 39.408 40.800 -0.446 0.000 1.112 375 D HN 0.378 nan 8.370 nan 0.000 0.415 376 F N 0.573 120.521 119.950 -0.002 0.000 2.659 376 F HA 0.300 4.777 4.527 -0.084 0.000 0.342 376 F C 0.639 176.437 175.800 -0.003 0.000 1.168 376 F CA -1.770 56.225 58.000 -0.008 0.000 1.003 376 F CB 1.068 40.062 39.000 -0.010 0.000 1.267 376 F HN 0.039 nan 8.300 nan 0.000 0.463 377 C N 1.638 121.045 119.300 0.178 0.000 2.341 377 C HA 0.923 5.332 4.460 -0.084 0.000 0.338 377 C C 0.480 175.512 174.990 0.069 0.000 1.257 377 C CA -0.488 58.594 59.018 0.108 0.000 1.883 377 C CB 0.332 28.125 27.740 0.088 0.000 2.334 377 C HN 0.866 nan 8.230 nan 0.000 0.524 378 S N 3.848 119.587 115.700 0.065 0.000 2.758 378 S HA 0.882 5.302 4.470 -0.084 0.000 0.292 378 S C -0.594 174.039 174.600 0.055 0.000 1.131 378 S CA -0.731 57.489 58.200 0.033 0.000 0.997 378 S CB 0.767 63.988 63.200 0.034 0.000 1.111 378 S HN 0.902 nan 8.310 nan 0.000 0.552 379 L N -0.217 121.026 121.223 0.033 0.000 2.322 379 L HA 0.557 4.847 4.340 -0.084 0.000 0.252 379 L C -0.783 176.112 176.870 0.042 0.000 1.055 379 L CA -1.065 53.834 54.840 0.098 0.000 0.849 379 L CB 1.590 43.715 42.059 0.109 0.000 1.446 379 L HN 0.574 nan 8.230 nan 0.000 0.416 380 N N 1.419 120.156 118.700 0.063 0.000 2.558 380 N HA 0.260 4.950 4.740 -0.084 0.000 0.242 380 N C -1.305 174.006 175.510 -0.331 0.000 0.979 380 N CA -0.281 52.646 53.050 -0.204 0.000 0.931 380 N CB 1.459 39.875 38.487 -0.118 0.000 1.122 380 N HN 0.560 nan 8.380 nan 0.000 0.508 381 E N 1.904 121.885 120.200 -0.365 0.000 2.174 381 E HA 0.349 4.648 4.350 -0.084 0.000 0.282 381 E C -0.714 175.610 176.600 -0.460 0.000 0.992 381 E CA -0.261 56.067 56.400 -0.119 0.000 0.803 381 E CB 1.155 30.914 29.700 0.098 0.000 1.090 381 E HN 0.296 nan 8.360 nan 0.000 0.396 382 F N 0.680 120.704 119.950 0.123 0.000 2.561 382 F HA 0.355 4.832 4.527 -0.084 0.000 0.321 382 F C 0.341 176.142 175.800 0.001 0.000 1.065 382 F CA -0.846 57.159 58.000 0.008 0.000 0.934 382 F CB 1.890 40.854 39.000 -0.059 0.000 1.215 382 F HN 0.256 nan 8.300 nan 0.000 0.471 383 S N 1.553 117.342 115.700 0.149 0.000 2.532 383 S HA 0.882 5.302 4.470 -0.084 0.000 0.301 383 S C -1.097 173.525 174.600 0.037 0.000 1.083 383 S CA -0.683 57.536 58.200 0.031 0.000 1.025 383 S CB 1.904 65.096 63.200 -0.014 0.000 1.056 383 S HN 0.347 nan 8.310 nan 0.000 0.494 384 I N 1.995 122.561 120.570 -0.006 0.000 2.465 384 I HA 0.458 4.578 4.170 -0.084 0.000 0.291 384 I C 0.660 176.765 176.117 -0.021 0.000 1.014 384 I CA -0.328 60.968 61.300 -0.008 0.000 1.093 384 I CB 2.186 40.178 38.000 -0.012 0.000 1.267 384 I HN 0.915 nan 8.210 nan 0.000 0.431 385 T N 1.700 116.246 114.554 -0.014 0.000 2.881 385 T HA 0.819 5.119 4.350 -0.084 0.000 0.278 385 T C 0.290 174.979 174.700 -0.017 0.000 0.982 385 T CA -0.207 61.884 62.100 -0.015 0.000 0.989 385 T CB 1.386 70.250 68.868 -0.007 0.000 1.058 385 T HN 1.493 nan 8.240 nan 0.000 0.529 386 G N 0.287 109.077 108.800 -0.017 0.000 3.172 386 G HA2 0.016 3.926 3.960 -0.084 0.000 0.686 386 G HA3 0.016 3.926 3.960 -0.084 0.000 0.686 386 G C -0.115 174.766 174.900 -0.031 0.000 1.009 386 G CA -0.340 44.750 45.100 -0.017 0.000 0.787 386 G HN 1.024 nan 8.290 nan 0.000 0.559 387 S N 1.056 116.732 115.700 -0.040 0.000 2.525 387 S HA 0.645 5.064 4.470 -0.084 0.000 0.242 387 S C 0.552 175.084 174.600 -0.114 0.000 1.164 387 S CA 0.526 58.686 58.200 -0.067 0.000 1.154 387 S CB 0.885 64.050 63.200 -0.059 0.000 0.875 387 S HN 1.442 nan 8.310 nan 0.000 0.482 388 T N -1.181 113.300 114.554 -0.122 0.000 2.671 388 T HA 0.425 4.725 4.350 -0.084 0.000 0.300 388 T C -0.792 173.811 174.700 -0.162 0.000 1.238 388 T CA -0.402 61.563 62.100 -0.223 0.000 1.020 388 T CB 0.313 69.116 68.868 -0.109 0.000 1.503 388 T HN 0.008 nan 8.240 nan 0.000 0.497 389 Y N 0.938 121.257 120.300 0.031 0.000 2.553 389 Y HA 0.518 5.018 4.550 -0.084 0.000 0.303 389 Y C 1.450 177.322 175.900 -0.047 0.000 1.194 389 Y CA -0.162 57.943 58.100 0.009 0.000 1.305 389 Y CB -0.957 37.529 38.460 0.043 0.000 1.045 389 Y HN 0.634 nan 8.280 nan 0.000 0.514 390 A N 0.703 123.576 122.820 0.090 0.000 2.366 390 A HA 0.313 4.583 4.320 -0.084 0.000 0.272 390 A C -1.411 176.074 177.584 -0.166 0.000 1.135 390 A CA -1.331 50.661 52.037 -0.075 0.000 0.804 390 A CB 0.365 19.493 19.000 0.214 0.000 1.064 390 A HN 0.083 nan 8.150 nan 0.000 0.499 391 P HA -0.148 nan 4.420 nan 0.000 0.223 391 P C -0.075 177.168 177.300 -0.094 0.000 1.140 391 P CA 1.158 64.132 63.100 -0.212 0.000 0.783 391 P CB 0.091 31.628 31.700 -0.270 0.000 0.759 392 E N -0.213 119.956 120.200 -0.052 0.000 2.384 392 E HA 0.455 4.755 4.350 -0.084 0.000 0.266 392 E C 0.898 177.491 176.600 -0.012 0.000 1.012 392 E CA 0.645 57.039 56.400 -0.010 0.000 0.901 392 E CB 0.059 29.776 29.700 0.028 0.000 0.967 392 E HN 0.115 nan 8.360 nan 0.000 0.435 393 G N 1.765 110.560 108.800 -0.009 0.000 2.339 393 G HA2 0.238 4.148 3.960 -0.084 0.000 0.381 393 G HA3 0.238 4.148 3.960 -0.084 0.000 0.381 393 G C -1.640 173.253 174.900 -0.011 0.000 1.400 393 G CA -0.783 44.311 45.100 -0.010 0.000 1.002 393 G HN 0.545 nan 8.290 nan 0.000 0.633 394 E N -1.170 119.025 120.200 -0.007 0.000 2.366 394 E HA 0.617 4.917 4.350 -0.084 0.000 0.278 394 E C -0.980 175.620 176.600 -0.001 0.000 0.923 394 E CA -1.113 55.283 56.400 -0.005 0.000 0.761 394 E CB 2.367 32.069 29.700 0.004 0.000 1.231 394 E HN 0.530 nan 8.360 nan 0.000 0.443 395 V N 2.517 122.425 119.914 -0.010 0.000 2.555 395 V HA 0.198 4.268 4.120 -0.084 0.000 0.286 395 V C -0.366 175.760 176.094 0.054 0.000 1.044 395 V CA -0.193 62.105 62.300 -0.005 0.000 1.026 395 V CB 0.441 32.207 31.823 -0.094 0.000 0.981 395 V HN 0.493 nan 8.190 nan 0.000 0.480 396 L N 4.806 126.095 121.223 0.110 0.000 2.354 396 L HA 0.665 4.955 4.340 -0.084 0.000 0.264 396 L C -0.338 176.659 176.870 0.212 0.000 1.008 396 L CA -0.507 54.415 54.840 0.136 0.000 0.819 396 L CB 1.929 44.031 42.059 0.072 0.000 1.339 396 L HN 0.640 nan 8.230 nan 0.000 0.420 397 K N 1.986 122.479 120.400 0.154 0.000 2.541 397 K HA 0.405 4.675 4.320 -0.084 0.000 0.250 397 K C -0.770 175.846 176.600 0.026 0.000 0.950 397 K CA -0.433 55.880 56.287 0.044 0.000 0.805 397 K CB 0.802 33.330 32.500 0.047 0.000 1.166 397 K HN 0.599 nan 8.250 nan 0.000 0.430 398 N N 4.441 123.133 118.700 -0.012 0.000 2.714 398 N HA -0.183 4.507 4.740 -0.084 0.000 0.253 398 N C -0.985 174.535 175.510 0.017 0.000 1.024 398 N CA 1.566 54.617 53.050 0.001 0.000 0.726 398 N CB -0.864 37.627 38.487 0.006 0.000 0.908 398 N HN 1.002 nan 8.380 nan 0.000 0.542 399 D N -2.309 118.101 120.400 0.017 0.000 3.059 399 D HA -0.217 4.373 4.640 -0.084 0.000 0.222 399 D C 0.027 176.346 176.300 0.032 0.000 1.185 399 D CA 1.345 55.357 54.000 0.020 0.000 0.904 399 D CB -0.449 40.359 40.800 0.012 0.000 1.122 399 D HN 0.601 nan 8.370 nan 0.000 0.410 400 K N 0.209 120.638 120.400 0.048 0.000 2.270 400 K HA 0.453 4.723 4.320 -0.084 0.000 0.255 400 K C -2.659 173.990 176.600 0.082 0.000 0.936 400 K CA -1.721 54.602 56.287 0.059 0.000 0.809 400 K CB 2.313 34.850 32.500 0.062 0.000 1.131 400 K HN -0.207 nan 8.250 nan 0.000 0.427 401 P HA 0.135 nan 4.420 nan 0.000 0.271 401 P C -1.009 176.354 177.300 0.104 0.000 1.216 401 P CA -0.241 62.905 63.100 0.076 0.000 0.776 401 P CB 0.419 32.149 31.700 0.051 0.000 0.881 402 I N -1.556 119.085 120.570 0.118 0.000 3.004 402 I HA 0.543 4.663 4.170 -0.084 0.000 0.305 402 I C -0.724 175.455 176.117 0.104 0.000 1.312 402 I CA -1.387 60.010 61.300 0.161 0.000 0.992 402 I CB 1.832 40.033 38.000 0.335 0.000 1.282 402 I HN 0.030 nan 8.210 nan 0.000 0.449 403 R N 1.718 122.275 120.500 0.094 0.000 2.340 403 R HA 0.444 4.734 4.340 -0.084 0.000 0.300 403 R C 0.664 176.988 176.300 0.040 0.000 1.069 403 R CA -0.261 55.860 56.100 0.034 0.000 0.984 403 R CB 1.233 31.536 30.300 0.004 0.000 1.003 403 R HN 0.838 nan 8.270 nan 0.000 0.459 404 S N 1.810 117.482 115.700 -0.047 0.000 2.399 404 S HA -0.129 4.291 4.470 -0.084 0.000 0.231 404 S C 1.881 176.435 174.600 -0.077 0.000 1.022 404 S CA 1.388 59.518 58.200 -0.117 0.000 0.983 404 S CB -0.016 63.087 63.200 -0.162 0.000 0.803 404 S HN 0.926 nan 8.310 nan 0.000 0.480 405 G N 1.064 109.802 108.800 -0.103 0.000 2.471 405 G HA2 -0.159 3.750 3.960 -0.084 0.000 0.219 405 G HA3 -0.159 3.750 3.960 -0.084 0.000 0.219 405 G C 1.234 176.056 174.900 -0.131 0.000 1.125 405 G CA 0.198 45.194 45.100 -0.174 0.000 0.775 405 G HN 0.509 nan 8.290 nan 0.000 0.548 406 Q N -0.891 118.861 119.800 -0.080 0.000 2.369 406 Q HA 0.075 4.365 4.340 -0.084 0.000 0.206 406 Q C -0.198 175.621 176.000 -0.301 0.000 0.963 406 Q CA 0.272 55.965 55.803 -0.183 0.000 0.894 406 Q CB 0.098 28.707 28.738 -0.215 0.000 0.965 406 Q HN 0.494 nan 8.270 nan 0.000 0.475 407 F N 0.576 120.480 119.950 -0.077 0.000 2.334 407 F HA 0.141 4.618 4.527 -0.084 0.000 0.367 407 F C 0.392 176.146 175.800 -0.077 0.000 1.115 407 F CA -0.817 57.162 58.000 -0.035 0.000 1.116 407 F CB 1.288 40.283 39.000 -0.009 0.000 1.230 407 F HN -0.095 nan 8.300 nan 0.000 0.484 408 D N 2.004 122.435 120.400 0.052 0.000 2.182 408 D HA -0.146 4.444 4.640 -0.084 0.000 0.201 408 D C 2.364 178.679 176.300 0.026 0.000 0.986 408 D CA 1.501 55.502 54.000 0.002 0.000 0.847 408 D CB 0.026 40.822 40.800 -0.007 0.000 0.942 408 D HN 0.747 nan 8.370 nan 0.000 0.467 409 G N 0.574 109.428 108.800 0.090 0.000 2.440 409 G HA2 -0.246 3.664 3.960 -0.084 0.000 0.218 409 G HA3 -0.246 3.664 3.960 -0.084 0.000 0.218 409 G C 1.541 176.440 174.900 -0.002 0.000 1.154 409 G CA 0.395 45.530 45.100 0.059 0.000 0.767 409 G HN 0.240 nan 8.290 nan 0.000 0.552 410 L N 0.323 121.543 121.223 -0.005 0.000 2.046 410 L HA -0.107 4.183 4.340 -0.084 0.000 0.208 410 L C 3.007 179.813 176.870 -0.106 0.000 1.077 410 L CA 0.510 55.292 54.840 -0.097 0.000 0.747 410 L CB -0.539 41.407 42.059 -0.188 0.000 0.896 410 L HN 0.097 nan 8.230 nan 0.000 0.432 411 V N 0.019 119.869 119.914 -0.107 0.000 2.453 411 V HA -0.335 3.735 4.120 -0.084 0.000 0.252 411 V C 2.415 178.471 176.094 -0.062 0.000 1.068 411 V CA 2.237 64.461 62.300 -0.125 0.000 1.070 411 V CB -0.547 31.172 31.823 -0.173 0.000 0.664 411 V HN 0.550 nan 8.190 nan 0.000 0.461 412 E N -0.185 119.980 120.200 -0.058 0.000 2.140 412 E HA -0.116 4.184 4.350 -0.084 0.000 0.191 412 E C 2.230 178.759 176.600 -0.118 0.000 0.973 412 E CA 0.579 56.941 56.400 -0.064 0.000 0.829 412 E CB -0.020 29.673 29.700 -0.011 0.000 0.781 412 E HN 0.573 nan 8.360 nan 0.000 0.466 413 L N 0.698 121.853 121.223 -0.113 0.000 2.043 413 L HA -0.211 4.079 4.340 -0.084 0.000 0.212 413 L C 2.422 179.211 176.870 -0.134 0.000 1.075 413 L CA 1.851 56.611 54.840 -0.133 0.000 0.752 413 L CB -0.341 41.642 42.059 -0.127 0.000 0.891 413 L HN 0.231 nan 8.230 nan 0.000 0.432 414 A N -0.797 121.951 122.820 -0.120 0.000 1.858 414 A HA -0.220 4.050 4.320 -0.084 0.000 0.216 414 A C 2.223 179.715 177.584 -0.154 0.000 1.190 414 A CA 2.337 54.309 52.037 -0.108 0.000 0.617 414 A CB -1.271 17.686 19.000 -0.070 0.000 0.827 414 A HN 0.520 nan 8.150 nan 0.000 0.443 415 T N 0.610 115.053 114.554 -0.186 0.000 2.685 415 T HA -0.205 4.095 4.350 -0.084 0.000 0.268 415 T C 1.759 176.129 174.700 -0.549 0.000 1.034 415 T CA 1.823 63.716 62.100 -0.345 0.000 1.149 415 T CB -0.548 68.080 68.868 -0.401 0.000 0.860 415 T HN 0.448 nan 8.240 nan 0.000 0.449 416 I N 0.462 120.758 120.570 -0.458 0.000 2.163 416 I HA -0.145 3.975 4.170 -0.084 0.000 0.240 416 I C 2.746 178.738 176.117 -0.209 0.000 1.081 416 I CA 0.808 61.884 61.300 -0.373 0.000 1.353 416 I CB -0.559 37.346 38.000 -0.158 0.000 1.054 416 I HN 0.284 nan 8.210 nan 0.000 0.407 417 C N 0.930 120.139 119.300 -0.151 0.000 2.403 417 C HA -0.211 4.199 4.460 -0.084 0.000 0.277 417 C C 3.151 178.080 174.990 -0.101 0.000 1.248 417 C CA 1.154 60.114 59.018 -0.097 0.000 1.762 417 C CB -1.301 26.392 27.740 -0.079 0.000 2.014 417 C HN 0.618 nan 8.230 nan 0.000 0.486 418 A N -0.518 122.220 122.820 -0.138 0.000 1.898 418 A HA 0.055 4.325 4.320 -0.084 0.000 0.214 418 A C 2.066 179.573 177.584 -0.127 0.000 1.183 418 A CA 1.188 53.151 52.037 -0.123 0.000 0.622 418 A CB -0.343 18.579 19.000 -0.129 0.000 0.824 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.662 119.450 121.223 -0.185 0.000 2.253 419 L HA 0.043 4.332 4.340 -0.084 0.000 0.205 419 L C 1.517 178.352 176.870 -0.058 0.000 1.078 419 L CA 0.196 54.955 54.840 -0.135 0.000 0.805 419 L CB -0.065 41.872 42.059 -0.203 0.000 0.963 419 L HN 0.424 nan 8.230 nan 0.000 0.459 420 C N 2.414 121.684 119.300 -0.050 0.000 3.305 420 C HA 0.260 4.670 4.460 -0.084 0.000 0.566 420 C C 0.303 175.295 174.990 0.003 0.000 1.178 420 C CA -0.376 58.650 59.018 0.013 0.000 1.317 420 C CB -2.420 25.349 27.740 0.048 0.000 1.634 420 C HN 0.350 nan 8.230 nan 0.000 0.643 421 N N 0.759 119.453 118.700 -0.010 0.000 2.331 421 N HA 0.308 4.998 4.740 -0.084 0.000 0.280 421 N C -0.824 174.678 175.510 -0.014 0.000 1.155 421 N CA -0.232 52.808 53.050 -0.017 0.000 0.822 421 N CB 1.853 40.318 38.487 -0.036 0.000 1.619 421 N HN 0.273 nan 8.380 nan 0.000 0.476 422 D N 0.001 120.393 120.400 -0.014 0.000 2.535 422 D HA 0.132 4.722 4.640 -0.084 0.000 0.229 422 D C 0.104 176.389 176.300 -0.025 0.000 1.238 422 D CA 0.222 54.215 54.000 -0.011 0.000 0.824 422 D CB 0.484 41.286 40.800 0.003 0.000 1.045 422 D HN 0.549 nan 8.370 nan 0.000 0.500 423 S N -0.498 115.177 115.700 -0.041 0.000 2.798 423 S HA 0.859 5.279 4.470 -0.084 0.000 0.312 423 S C 0.124 174.686 174.600 -0.063 0.000 1.122 423 S CA -0.372 57.792 58.200 -0.061 0.000 0.949 423 S CB 2.450 65.597 63.200 -0.089 0.000 1.235 423 S HN 0.020 nan 8.310 nan 0.000 0.552 424 S N -0.693 114.960 115.700 -0.079 0.000 2.703 424 S HA 0.653 5.073 4.470 -0.084 0.000 0.273 424 S C -1.573 172.981 174.600 -0.078 0.000 1.178 424 S CA -1.040 57.122 58.200 -0.063 0.000 0.838 424 S CB 0.270 63.451 63.200 -0.032 0.000 1.178 424 S HN 0.757 nan 8.310 nan 0.000 0.494 425 L N 1.004 122.209 121.223 -0.029 0.000 2.354 425 L HA 0.738 5.028 4.340 -0.084 0.000 0.269 425 L C -1.294 175.636 176.870 0.099 0.000 1.005 425 L CA -0.513 54.340 54.840 0.021 0.000 0.819 425 L CB 1.862 43.938 42.059 0.027 0.000 1.311 425 L HN 0.775 nan 8.230 nan 0.000 0.423 426 D N 1.362 121.860 120.400 0.164 0.000 2.934 426 D HA 0.235 4.825 4.640 -0.084 0.000 0.230 426 D C -1.717 174.731 176.300 0.247 0.000 1.204 426 D CA -0.358 53.745 54.000 0.172 0.000 0.873 426 D CB 2.435 43.280 40.800 0.075 0.000 1.645 426 D HN 0.178 nan 8.370 nan 0.000 0.502 427 F N 3.749 123.743 119.950 0.074 0.000 2.371 427 F HA 0.300 4.777 4.527 -0.084 0.000 0.363 427 F C 0.468 176.213 175.800 -0.091 0.000 1.122 427 F CA -0.782 57.157 58.000 -0.101 0.000 1.129 427 F CB 0.616 39.500 39.000 -0.193 0.000 1.173 427 F HN 0.188 nan 8.300 nan 0.000 0.489 428 N N 5.458 123.816 118.700 -0.569 0.000 2.739 428 N HA -0.007 4.683 4.740 -0.084 0.000 0.266 428 N C 0.853 176.046 175.510 -0.530 0.000 1.168 428 N CA 0.295 53.111 53.050 -0.389 0.000 1.055 428 N CB 0.125 38.434 38.487 -0.296 0.000 1.393 428 N HN 0.777 nan 8.380 nan 0.000 0.514 429 E N 0.279 120.326 120.200 -0.254 0.000 2.284 429 E HA -0.180 4.120 4.350 -0.084 0.000 0.200 429 E C 0.967 177.504 176.600 -0.106 0.000 1.008 429 E CA 1.374 57.738 56.400 -0.060 0.000 0.829 429 E CB 0.296 30.066 29.700 0.116 0.000 0.744 429 E HN 0.559 nan 8.360 nan 0.000 0.491 430 T N 0.787 115.260 114.554 -0.135 0.000 2.701 430 T HA -0.099 4.201 4.350 -0.084 0.000 0.263 430 T C 1.572 176.196 174.700 -0.127 0.000 1.040 430 T CA 1.075 63.112 62.100 -0.105 0.000 1.147 430 T CB -0.028 68.787 68.868 -0.088 0.000 0.865 430 T HN 0.107 nan 8.240 nan 0.000 0.426 431 K N 0.490 120.779 120.400 -0.186 0.000 2.393 431 K HA 0.303 4.573 4.320 -0.084 0.000 0.193 431 K C 1.227 177.693 176.600 -0.223 0.000 1.026 431 K CA 0.254 56.437 56.287 -0.174 0.000 1.064 431 K CB 0.326 32.730 32.500 -0.161 0.000 0.833 431 K HN 0.370 nan 8.250 nan 0.000 0.521 432 G N 2.180 110.771 108.800 -0.348 0.000 2.323 432 G HA2 -0.243 3.667 3.960 -0.084 0.000 0.292 432 G HA3 -0.243 3.667 3.960 -0.084 0.000 0.292 432 G C -0.296 174.360 174.900 -0.406 0.000 1.040 432 G CA 0.610 45.503 45.100 -0.346 0.000 0.942 432 G HN 0.258 nan 8.290 nan 0.000 0.506 433 V N -1.033 118.465 119.914 -0.692 0.000 3.087 433 V HA 0.724 4.794 4.120 -0.084 0.000 0.306 433 V C -0.622 175.177 176.094 -0.493 0.000 1.187 433 V CA -1.742 60.326 62.300 -0.386 0.000 0.999 433 V CB 1.657 33.385 31.823 -0.159 0.000 1.049 433 V HN 0.323 nan 8.190 nan 0.000 0.431 434 Y N 3.676 123.970 120.300 -0.009 0.000 2.402 434 Y HA 0.439 4.939 4.550 -0.084 0.000 0.333 434 Y C 0.906 176.862 175.900 0.094 0.000 1.076 434 Y CA 0.254 58.413 58.100 0.099 0.000 1.299 434 Y CB 0.849 39.444 38.460 0.225 0.000 1.197 434 Y HN 0.604 nan 8.280 nan 0.000 0.517 435 E N 3.251 123.578 120.200 0.213 0.000 2.232 435 E HA 0.346 4.646 4.350 -0.084 0.000 0.264 435 E C -0.941 175.702 176.600 0.071 0.000 0.973 435 E CA -1.304 55.181 56.400 0.142 0.000 0.849 435 E CB 1.837 31.560 29.700 0.038 0.000 1.198 435 E HN 0.494 nan 8.360 nan 0.000 0.407 436 K N -1.006 119.360 120.400 -0.057 0.000 2.139 436 K HA 0.604 4.873 4.320 -0.084 0.000 0.243 436 K C -0.928 175.591 176.600 -0.134 0.000 0.983 436 K CA -0.788 55.334 56.287 -0.275 0.000 0.890 436 K CB 1.373 33.486 32.500 -0.645 0.000 1.090 436 K HN 0.156 nan 8.250 nan 0.000 0.445 437 V N 1.564 121.398 119.914 -0.133 0.000 2.385 437 V HA 0.589 4.659 4.120 -0.084 0.000 0.277 437 V C 0.260 176.307 176.094 -0.079 0.000 1.012 437 V CA 0.211 62.467 62.300 -0.074 0.000 0.832 437 V CB -0.059 31.737 31.823 -0.045 0.000 1.028 437 V HN 1.181 nan 8.190 nan 0.000 0.436 438 G N 4.016 112.775 108.800 -0.067 0.000 2.378 438 G HA2 -0.075 3.834 3.960 -0.084 0.000 0.198 438 G HA3 -0.075 3.834 3.960 -0.084 0.000 0.198 438 G C -0.704 174.156 174.900 -0.068 0.000 1.223 438 G CA -0.803 44.263 45.100 -0.057 0.000 1.088 438 G HN 0.491 nan 8.290 nan 0.000 0.530 439 E N 0.567 120.730 120.200 -0.062 0.000 2.392 439 E HA 0.456 4.756 4.350 -0.084 0.000 0.264 439 E C 1.491 178.047 176.600 -0.072 0.000 1.024 439 E CA 0.453 56.820 56.400 -0.055 0.000 0.903 439 E CB 1.250 30.916 29.700 -0.057 0.000 0.963 439 E HN 0.997 nan 8.360 nan 0.000 0.432 440 A N 2.980 125.785 122.820 -0.026 0.000 1.873 440 A HA -0.165 4.104 4.320 -0.084 0.000 0.215 440 A C 2.063 179.672 177.584 0.042 0.000 1.186 440 A CA 2.076 54.129 52.037 0.026 0.000 0.616 440 A CB -0.838 18.261 19.000 0.164 0.000 0.823 440 A HN 0.694 nan 8.150 nan 0.000 0.442 441 T N -0.502 114.068 114.554 0.028 0.000 2.737 441 T HA -0.211 4.088 4.350 -0.084 0.000 0.269 441 T C 1.629 176.330 174.700 0.003 0.000 1.040 441 T CA 1.694 63.807 62.100 0.023 0.000 1.142 441 T CB -0.362 68.504 68.868 -0.003 0.000 0.861 441 T HN 0.642 nan 8.240 nan 0.000 0.456 442 E N 0.828 121.010 120.200 -0.030 0.000 2.021 442 E HA -0.065 4.235 4.350 -0.084 0.000 0.189 442 E C 2.628 179.195 176.600 -0.054 0.000 0.980 442 E CA 1.303 57.679 56.400 -0.040 0.000 0.803 442 E CB -0.376 29.293 29.700 -0.052 0.000 0.766 442 E HN 0.386 nan 8.360 nan 0.000 0.449 443 T N 1.370 115.858 114.554 -0.109 0.000 2.721 443 T HA -0.257 4.043 4.350 -0.084 0.000 0.268 443 T C 1.912 176.558 174.700 -0.091 0.000 1.038 443 T CA 1.327 63.314 62.100 -0.188 0.000 1.145 443 T CB -0.316 68.277 68.868 -0.457 0.000 0.858 443 T HN 0.269 nan 8.240 nan 0.000 0.459 444 A N 0.842 123.678 122.820 0.025 0.000 1.948 444 A HA -0.075 4.195 4.320 -0.084 0.000 0.220 444 A C 2.158 179.775 177.584 0.055 0.000 1.177 444 A CA 1.283 53.399 52.037 0.133 0.000 0.636 444 A CB -0.669 18.412 19.000 0.136 0.000 0.815 444 A HN 0.363 nan 8.150 nan 0.000 0.449 445 L N -0.538 120.693 121.223 0.013 0.000 2.005 445 L HA -0.105 4.185 4.340 -0.084 0.000 0.207 445 L C 2.752 179.608 176.870 -0.024 0.000 1.072 445 L CA 2.459 57.294 54.840 -0.008 0.000 0.744 445 L CB -1.441 40.606 42.059 -0.020 0.000 0.895 445 L HN 0.383 nan 8.230 nan 0.000 0.433 446 T N -0.948 113.583 114.554 -0.038 0.000 2.620 446 T HA -0.268 4.031 4.350 -0.084 0.000 0.267 446 T C 1.715 176.391 174.700 -0.041 0.000 1.044 446 T CA 2.277 64.348 62.100 -0.049 0.000 1.161 446 T CB -0.562 68.265 68.868 -0.068 0.000 0.862 446 T HN 0.394 nan 8.240 nan 0.000 0.438 447 T N 2.058 116.600 114.554 -0.020 0.000 2.881 447 T HA -0.030 4.270 4.350 -0.084 0.000 0.270 447 T C 1.827 176.514 174.700 -0.021 0.000 1.068 447 T CA 0.698 62.790 62.100 -0.013 0.000 1.131 447 T CB -0.380 68.525 68.868 0.060 0.000 0.871 447 T HN 0.126 nan 8.240 nan 0.000 0.479 448 L N 2.471 123.685 121.223 -0.015 0.000 2.027 448 L HA -0.010 4.280 4.340 -0.084 0.000 0.206 448 L C 2.637 179.482 176.870 -0.042 0.000 1.074 448 L CA 1.504 56.329 54.840 -0.025 0.000 0.745 448 L CB -1.016 41.031 42.059 -0.020 0.000 0.898 448 L HN 0.258 nan 8.230 nan 0.000 0.433 449 V N -2.247 117.640 119.914 -0.044 0.000 2.332 449 V HA -0.209 3.861 4.120 -0.084 0.000 0.248 449 V C 2.364 178.434 176.094 -0.040 0.000 1.055 449 V CA 1.887 64.159 62.300 -0.045 0.000 1.038 449 V CB -0.950 30.846 31.823 -0.045 0.000 0.651 449 V HN 0.496 nan 8.190 nan 0.000 0.450 450 E N 1.138 121.311 120.200 -0.046 0.000 2.051 450 E HA -0.189 4.110 4.350 -0.084 0.000 0.192 450 E C 2.252 178.823 176.600 -0.049 0.000 0.991 450 E CA 1.874 58.243 56.400 -0.052 0.000 0.799 450 E CB -0.390 29.263 29.700 -0.079 0.000 0.748 450 E HN 0.719 nan 8.360 nan 0.000 0.449 451 K N -0.058 120.312 120.400 -0.049 0.000 2.283 451 K HA -0.000 4.269 4.320 -0.084 0.000 0.202 451 K C 2.225 178.796 176.600 -0.047 0.000 1.048 451 K CA 0.804 57.065 56.287 -0.044 0.000 0.948 451 K CB -0.024 32.453 32.500 -0.038 0.000 0.742 451 K HN 0.113 nan 8.250 nan 0.000 0.458 452 M N 0.296 119.863 119.600 -0.055 0.000 2.095 452 M HA -0.073 4.357 4.480 -0.084 0.000 0.257 452 M C 0.491 176.759 176.300 -0.053 0.000 1.089 452 M CA 0.506 55.762 55.300 -0.072 0.000 1.138 452 M CB -0.280 32.268 32.600 -0.086 0.000 1.303 452 M HN 0.116 nan 8.290 nan 0.000 0.422 453 N N 1.013 119.696 118.700 -0.028 0.000 2.610 453 N HA -0.118 4.572 4.740 -0.084 0.000 0.271 453 N C 0.193 175.696 175.510 -0.012 0.000 1.146 453 N CA 0.596 53.649 53.050 0.004 0.000 0.711 453 N CB -0.614 37.871 38.487 -0.003 0.000 0.883 453 N HN 0.357 nan 8.380 nan 0.000 0.548 454 V N -0.804 119.097 119.914 -0.023 0.000 2.809 454 V HA 0.114 4.184 4.120 -0.084 0.000 0.256 454 V C 1.381 177.292 176.094 -0.305 0.000 1.080 454 V CA 1.413 63.609 62.300 -0.174 0.000 1.102 454 V CB -0.700 30.978 31.823 -0.242 0.000 0.705 454 V HN 0.289 nan 8.190 nan 0.000 0.475 455 F N 1.765 121.690 119.950 -0.041 0.000 2.819 455 F HA 0.485 4.962 4.527 -0.084 0.000 0.294 455 F C 0.929 176.712 175.800 -0.029 0.000 1.166 455 F CA -0.789 57.190 58.000 -0.034 0.000 1.374 455 F CB -0.756 38.222 39.000 -0.036 0.000 0.956 455 F HN 0.170 nan 8.300 nan 0.000 0.509 456 N N 0.670 119.410 118.700 0.066 0.000 2.701 456 N HA -0.190 4.499 4.740 -0.084 0.000 0.257 456 N C 0.045 175.587 175.510 0.053 0.000 0.969 456 N CA 1.227 54.301 53.050 0.040 0.000 0.786 456 N CB -1.706 36.792 38.487 0.019 0.000 0.917 456 N HN 0.256 nan 8.380 nan 0.000 0.541 457 T N -0.345 114.247 114.554 0.062 0.000 2.802 457 T HA 0.126 4.426 4.350 -0.084 0.000 0.305 457 T C 0.692 175.403 174.700 0.018 0.000 1.053 457 T CA -0.413 61.710 62.100 0.038 0.000 1.058 457 T CB 1.375 70.259 68.868 0.028 0.000 0.988 457 T HN 0.016 nan 8.240 nan 0.000 0.539 458 E N 1.427 121.633 120.200 0.009 0.000 2.167 458 E HA 0.300 4.600 4.350 -0.084 0.000 0.284 458 E C 0.807 177.405 176.600 -0.003 0.000 1.016 458 E CA -0.243 56.158 56.400 0.003 0.000 0.817 458 E CB 1.470 31.171 29.700 0.001 0.000 1.080 458 E HN 0.537 nan 8.360 nan 0.000 0.397 459 V N 2.185 122.096 119.914 -0.005 0.000 2.950 459 V HA -0.020 4.050 4.120 -0.084 0.000 0.231 459 V C 2.157 178.244 176.094 -0.011 0.000 1.205 459 V CA 0.590 62.884 62.300 -0.010 0.000 1.239 459 V CB -0.563 31.253 31.823 -0.012 0.000 1.050 459 V HN 0.645 nan 8.190 nan 0.000 0.498 460 R N 2.252 122.747 120.500 -0.008 0.000 2.265 460 R HA -0.375 3.915 4.340 -0.084 0.000 0.256 460 R C 2.114 178.407 176.300 -0.012 0.000 1.120 460 R CA 2.674 58.770 56.100 -0.007 0.000 0.956 460 R CB -1.798 28.499 30.300 -0.004 0.000 0.925 460 R HN 0.644 nan 8.270 nan 0.000 0.448 461 N N 1.494 120.188 118.700 -0.011 0.000 2.223 461 N HA -0.087 4.603 4.740 -0.084 0.000 0.185 461 N C 0.581 176.078 175.510 -0.020 0.000 1.016 461 N CA 0.763 53.805 53.050 -0.014 0.000 0.863 461 N CB -0.102 38.379 38.487 -0.010 0.000 0.983 461 N HN 0.244 nan 8.380 nan 0.000 0.429 462 L N 1.323 122.533 121.223 -0.022 0.000 2.483 462 L HA -0.035 4.255 4.340 -0.084 0.000 0.277 462 L C 1.095 177.937 176.870 -0.047 0.000 1.248 462 L CA -0.276 54.547 54.840 -0.029 0.000 0.825 462 L CB 0.311 42.356 42.059 -0.024 0.000 1.096 462 L HN 0.141 nan 8.230 nan 0.000 0.512 463 S N 0.270 115.934 115.700 -0.059 0.000 2.617 463 S HA 0.213 4.633 4.470 -0.084 0.000 0.269 463 S C 0.748 175.254 174.600 -0.158 0.000 1.292 463 S CA -0.786 57.352 58.200 -0.103 0.000 1.010 463 S CB 1.567 64.714 63.200 -0.087 0.000 0.944 463 S HN 0.488 nan 8.310 nan 0.000 0.536 464 K N 1.048 121.246 120.400 -0.337 0.000 2.074 464 K HA -0.039 4.231 4.320 -0.084 0.000 0.209 464 K C 1.847 178.229 176.600 -0.363 0.000 1.048 464 K CA 1.625 57.560 56.287 -0.586 0.000 0.926 464 K CB -1.123 30.312 32.500 -1.776 0.000 0.713 464 K HN 0.552 nan 8.250 nan 0.000 0.444 465 V N 0.809 120.556 119.914 -0.279 0.000 2.720 465 V HA -0.207 3.863 4.120 -0.084 0.000 0.256 465 V C 1.826 177.940 176.094 0.033 0.000 1.082 465 V CA 1.682 63.983 62.300 0.002 0.000 1.101 465 V CB -0.466 31.381 31.823 0.040 0.000 0.693 465 V HN 0.342 nan 8.190 nan 0.000 0.479 466 E N 0.058 120.248 120.200 -0.018 0.000 2.060 466 E HA -0.121 4.178 4.350 -0.084 0.000 0.189 466 E C 2.360 178.966 176.600 0.010 0.000 0.974 466 E CA 0.410 56.809 56.400 -0.003 0.000 0.808 466 E CB -0.138 29.549 29.700 -0.022 0.000 0.768 466 E HN 0.217 nan 8.360 nan 0.000 0.453 467 R N 1.505 122.010 120.500 0.009 0.000 2.241 467 R HA -0.020 4.270 4.340 -0.084 0.000 0.224 467 R C 1.644 177.941 176.300 -0.006 0.000 1.101 467 R CA 1.097 57.198 56.100 0.001 0.000 0.995 467 R CB -0.820 29.480 30.300 0.000 0.000 0.870 467 R HN 0.173 nan 8.270 nan 0.000 0.463 468 A N 0.772 123.647 122.820 0.091 0.000 1.852 468 A HA -0.170 4.100 4.320 -0.084 0.000 0.217 468 A C 0.716 178.300 177.584 0.000 0.000 1.215 468 A CA 1.919 54.017 52.037 0.102 0.000 0.641 468 A CB -0.366 18.772 19.000 0.229 0.000 0.838 468 A HN 0.482 nan 8.150 nan 0.000 0.450 469 N N -1.021 117.687 118.700 0.014 0.000 2.886 469 N HA 0.507 5.197 4.740 -0.084 0.000 0.285 469 N C 0.274 175.774 175.510 -0.017 0.000 1.706 469 N CA 0.594 53.637 53.050 -0.011 0.000 0.904 469 N CB 1.365 39.850 38.487 -0.003 0.000 1.224 469 N HN 0.468 nan 8.380 nan 0.000 0.488 470 A N 0.211 123.016 122.820 -0.024 0.000 2.250 470 A HA 0.047 4.317 4.320 -0.084 0.000 0.222 470 A C 2.054 179.620 177.584 -0.029 0.000 1.768 470 A CA 0.558 52.580 52.037 -0.024 0.000 0.660 470 A CB -0.838 18.148 19.000 -0.022 0.000 1.318 470 A HN 0.527 nan 8.150 nan 0.000 0.527 471 C N 0.694 119.981 119.300 -0.023 0.000 2.397 471 C HA -0.177 4.233 4.460 -0.084 0.000 0.279 471 C C 2.650 177.624 174.990 -0.027 0.000 1.206 471 C CA 1.391 60.403 59.018 -0.011 0.000 1.818 471 C CB -1.704 26.035 27.740 -0.001 0.000 2.087 471 C HN 0.651 nan 8.230 nan 0.000 0.488 472 N N 0.251 118.929 118.700 -0.037 0.000 2.188 472 N HA -0.092 4.598 4.740 -0.084 0.000 0.184 472 N C 1.956 177.432 175.510 -0.057 0.000 1.018 472 N CA 1.267 54.288 53.050 -0.048 0.000 0.858 472 N CB -0.167 38.292 38.487 -0.046 0.000 0.989 472 N HN 0.470 nan 8.380 nan 0.000 0.426 473 S N 0.161 115.830 115.700 -0.052 0.000 2.371 473 S HA -0.025 4.395 4.470 -0.084 0.000 0.224 473 S C 2.173 176.724 174.600 -0.082 0.000 1.029 473 S CA 0.406 58.572 58.200 -0.057 0.000 0.978 473 S CB -0.083 63.092 63.200 -0.043 0.000 0.833 473 S HN 0.066 nan 8.310 nan 0.000 0.466 474 V N 2.576 122.434 119.914 -0.093 0.000 2.250 474 V HA -0.257 3.813 4.120 -0.084 0.000 0.250 474 V C 2.055 178.026 176.094 -0.206 0.000 1.060 474 V CA 1.931 64.140 62.300 -0.151 0.000 1.030 474 V CB -0.676 31.052 31.823 -0.158 0.000 0.643 474 V HN 0.503 nan 8.190 nan 0.000 0.445 475 I N -0.551 119.916 120.570 -0.173 0.000 2.264 475 I HA -0.261 3.859 4.170 -0.084 0.000 0.248 475 I C 2.622 178.655 176.117 -0.140 0.000 1.111 475 I CA 1.600 62.795 61.300 -0.174 0.000 1.382 475 I CB -0.525 37.407 38.000 -0.114 0.000 1.060 475 I HN 0.276 nan 8.210 nan 0.000 0.418 476 R N 0.557 120.993 120.500 -0.107 0.000 2.237 476 R HA -0.117 4.173 4.340 -0.084 0.000 0.219 476 R C 1.993 178.246 176.300 -0.077 0.000 1.080 476 R CA 0.760 56.812 56.100 -0.080 0.000 0.995 476 R CB -0.171 30.092 30.300 -0.061 0.000 0.875 476 R HN 0.548 nan 8.270 nan 0.000 0.462 477 Q N 0.003 119.743 119.800 -0.099 0.000 2.389 477 Q HA 0.050 4.340 4.340 -0.084 0.000 0.204 477 Q C 1.478 177.417 176.000 -0.102 0.000 0.944 477 Q CA 0.651 56.398 55.803 -0.093 0.000 0.908 477 Q CB 0.406 29.081 28.738 -0.104 0.000 1.002 477 Q HN 0.344 nan 8.270 nan 0.000 0.493 478 L N -0.743 120.403 121.223 -0.129 0.000 2.664 478 L HA 0.281 4.571 4.340 -0.084 0.000 0.233 478 L C 0.092 176.920 176.870 -0.069 0.000 1.113 478 L CA 0.005 54.772 54.840 -0.121 0.000 0.896 478 L CB 0.664 42.602 42.059 -0.203 0.000 1.163 478 L HN 0.167 nan 8.230 nan 0.000 0.497 479 M N 0.843 120.409 119.600 -0.057 0.000 2.206 479 M HA 0.265 4.695 4.480 -0.084 0.000 0.272 479 M C -1.161 175.134 176.300 -0.008 0.000 1.012 479 M CA -0.572 54.721 55.300 -0.013 0.000 0.986 479 M CB 2.230 34.833 32.600 0.004 0.000 1.740 479 M HN -0.241 nan 8.290 nan 0.000 0.472 480 K N 3.548 123.950 120.400 0.003 0.000 2.284 480 K HA 0.199 4.469 4.320 -0.084 0.000 0.287 480 K C -0.251 176.357 176.600 0.013 0.000 1.081 480 K CA -0.006 56.284 56.287 0.005 0.000 0.910 480 K CB 0.593 33.098 32.500 0.009 0.000 1.088 480 K HN 0.513 nan 8.250 nan 0.000 0.478 481 K N 5.238 125.643 120.400 0.008 0.000 2.315 481 K HA 0.019 4.289 4.320 -0.084 0.000 0.291 481 K C -0.144 176.457 176.600 0.003 0.000 1.074 481 K CA 0.114 56.402 56.287 0.001 0.000 0.936 481 K CB 0.475 32.975 32.500 0.001 0.000 1.049 481 K HN 0.673 nan 8.250 nan 0.000 0.471 482 E N 3.635 123.828 120.200 -0.012 0.000 2.004 482 E HA -0.046 4.254 4.350 -0.084 0.000 0.194 482 E C 0.334 176.978 176.600 0.072 0.000 0.981 482 E CA 1.046 57.474 56.400 0.046 0.000 0.842 482 E CB -0.133 29.634 29.700 0.112 0.000 0.796 482 E HN 0.589 nan 8.360 nan 0.000 0.477 483 F N 0.089 120.062 119.950 0.038 0.000 2.598 483 F HA 0.596 5.073 4.527 -0.084 0.000 0.327 483 F C -0.243 175.555 175.800 -0.004 0.000 1.057 483 F CA -1.174 56.817 58.000 -0.015 0.000 0.957 483 F CB 1.372 40.317 39.000 -0.091 0.000 1.278 483 F HN -0.148 nan 8.300 nan 0.000 0.484 484 T N 0.346 115.010 114.554 0.184 0.000 2.887 484 T HA 0.676 4.976 4.350 -0.084 0.000 0.288 484 T C -1.155 173.585 174.700 0.067 0.000 1.021 484 T CA -0.824 61.320 62.100 0.074 0.000 1.000 484 T CB 1.377 70.279 68.868 0.056 0.000 1.034 484 T HN 0.807 nan 8.240 nan 0.000 0.467 485 L N 4.035 125.225 121.223 -0.055 0.000 2.287 485 L HA 0.363 4.652 4.340 -0.084 0.000 0.280 485 L C 0.887 177.745 176.870 -0.019 0.000 1.055 485 L CA -0.957 53.687 54.840 -0.328 0.000 0.863 485 L CB 0.462 42.223 42.059 -0.497 0.000 1.245 485 L HN 0.787 nan 8.230 nan 0.000 0.432 486 E N 1.621 121.906 120.200 0.141 0.000 2.521 486 E HA -0.094 4.206 4.350 -0.084 0.000 0.270 486 E C -0.117 176.680 176.600 0.329 0.000 1.082 486 E CA -0.285 56.271 56.400 0.260 0.000 0.997 486 E CB 0.494 30.364 29.700 0.282 0.000 0.990 486 E HN 0.275 nan 8.360 nan 0.000 0.458 487 F N 1.362 121.402 119.950 0.150 0.000 2.532 487 F HA 0.115 4.592 4.527 -0.084 0.000 0.323 487 F C 0.324 176.212 175.800 0.147 0.000 1.234 487 F CA 0.860 58.941 58.000 0.135 0.000 1.323 487 F CB 0.707 39.764 39.000 0.095 0.000 1.183 487 F HN 0.585 nan 8.300 nan 0.000 0.589 488 S N 1.727 116.969 115.700 -0.764 0.000 2.579 488 S HA 0.292 4.711 4.470 -0.084 0.000 0.290 488 S C -0.366 173.820 174.600 -0.690 0.000 1.123 488 S CA -0.792 57.152 58.200 -0.427 0.000 0.894 488 S CB 1.261 64.353 63.200 -0.180 0.000 1.095 488 S HN 0.824 nan 8.310 nan 0.000 0.450 489 R N 1.113 121.447 120.500 -0.276 0.000 2.339 489 R HA 0.091 4.381 4.340 -0.084 0.000 0.199 489 R C 0.923 177.152 176.300 -0.119 0.000 1.018 489 R CA 1.337 57.349 56.100 -0.147 0.000 1.036 489 R CB -0.833 29.489 30.300 0.036 0.000 0.899 489 R HN 0.755 nan 8.270 nan 0.000 0.473 490 D N 1.766 122.083 120.400 -0.138 0.000 2.137 490 D HA -0.202 4.387 4.640 -0.084 0.000 0.202 490 D C 1.876 178.125 176.300 -0.084 0.000 0.970 490 D CA 0.770 54.719 54.000 -0.085 0.000 0.837 490 D CB -0.063 40.692 40.800 -0.074 0.000 0.981 490 D HN 0.444 nan 8.370 nan 0.000 0.475 491 R N -0.025 120.400 120.500 -0.125 0.000 2.334 491 R HA 0.226 4.516 4.340 -0.084 0.000 0.212 491 R C -0.016 176.220 176.300 -0.106 0.000 0.897 491 R CA -0.391 55.660 56.100 -0.082 0.000 1.056 491 R CB -0.217 30.058 30.300 -0.042 0.000 1.046 491 R HN -0.154 nan 8.270 nan 0.000 0.513 492 K N 2.011 122.256 120.400 -0.259 0.000 3.730 492 K HA -0.216 4.054 4.320 -0.084 0.000 0.276 492 K C -0.989 175.615 176.600 0.007 0.000 0.904 492 K CA 0.965 57.127 56.287 -0.207 0.000 0.741 492 K CB -1.417 31.130 32.500 0.078 0.000 1.542 492 K HN 0.724 nan 8.250 nan 0.000 0.446 493 S N -0.935 114.685 115.700 -0.135 0.000 2.643 493 S HA 0.737 5.157 4.470 -0.084 0.000 0.266 493 S C -0.923 173.800 174.600 0.205 0.000 1.130 493 S CA -0.861 57.450 58.200 0.186 0.000 0.817 493 S CB 1.943 65.217 63.200 0.123 0.000 1.107 493 S HN 0.506 nan 8.310 nan 0.000 0.471 494 M N -0.101 119.651 119.600 0.253 0.000 2.721 494 M HA 0.909 5.338 4.480 -0.084 0.000 0.271 494 M C -1.148 175.239 176.300 0.145 0.000 1.259 494 M CA -0.552 54.879 55.300 0.218 0.000 0.835 494 M CB 1.814 34.587 32.600 0.289 0.000 1.689 494 M HN 1.467 nan 8.290 nan 0.000 0.470 495 S N -0.134 115.626 115.700 0.100 0.000 2.615 495 S HA 0.861 5.281 4.470 -0.084 0.000 0.268 495 S C -1.057 173.557 174.600 0.024 0.000 1.146 495 S CA -0.311 57.932 58.200 0.072 0.000 0.818 495 S CB 1.382 64.621 63.200 0.064 0.000 1.111 495 S HN 1.715 nan 8.310 nan 0.000 0.465 496 V N -1.467 118.452 119.914 0.009 0.000 3.074 496 V HA 0.801 4.870 4.120 -0.084 0.000 0.314 496 V C -1.447 174.525 176.094 -0.203 0.000 1.117 496 V CA -1.032 61.222 62.300 -0.076 0.000 1.014 496 V CB 1.497 33.316 31.823 -0.006 0.000 1.057 496 V HN 1.051 nan 8.190 nan 0.000 0.438 497 Y N 1.307 121.233 120.300 -0.623 0.000 2.342 497 Y HA 0.750 5.249 4.550 -0.084 0.000 0.338 497 Y C -0.155 175.465 175.900 -0.467 0.000 0.965 497 Y CA -0.409 57.241 58.100 -0.751 0.000 1.159 497 Y CB 1.027 38.469 38.460 -1.697 0.000 1.157 497 Y HN 1.013 nan 8.280 nan 0.000 0.486 498 C N 2.741 121.785 119.300 -0.428 0.000 2.971 498 C HA 0.913 5.323 4.460 -0.084 0.000 0.310 498 C C -0.809 174.054 174.990 -0.212 0.000 1.285 498 C CA -0.871 58.045 59.018 -0.169 0.000 1.593 498 C CB 1.384 29.175 27.740 0.086 0.000 2.076 498 C HN 0.884 nan 8.230 nan 0.000 0.472 499 S N -0.531 115.129 115.700 -0.066 0.000 2.543 499 S HA 0.596 5.016 4.470 -0.084 0.000 0.274 499 S C -3.493 171.100 174.600 -0.010 0.000 1.149 499 S CA -1.019 57.148 58.200 -0.054 0.000 0.866 499 S CB 0.925 64.112 63.200 -0.021 0.000 1.111 499 S HN 0.474 nan 8.310 nan 0.000 0.457 500 P HA 0.152 nan 4.420 nan 0.000 0.263 500 P C -0.314 176.982 177.300 -0.006 0.000 1.162 500 P CA 0.616 63.712 63.100 -0.007 0.000 0.758 500 P CB 0.085 31.780 31.700 -0.009 0.000 0.773 501 A N 3.953 126.766 122.820 -0.013 0.000 2.351 501 A HA 0.292 4.562 4.320 -0.084 0.000 0.257 501 A C 1.063 178.640 177.584 -0.013 0.000 1.087 501 A CA -0.079 51.950 52.037 -0.013 0.000 0.798 501 A CB 0.029 19.015 19.000 -0.025 0.000 1.033 501 A HN 0.614 nan 8.150 nan 0.000 0.488 502 K N -0.860 119.535 120.400 -0.008 0.000 3.564 502 K HA -0.178 4.092 4.320 -0.084 0.000 0.278 502 K C 0.715 177.312 176.600 -0.004 0.000 1.048 502 K CA 1.744 58.026 56.287 -0.007 0.000 1.109 502 K CB -2.538 29.954 32.500 -0.013 0.000 1.405 502 K HN 1.381 nan 8.250 nan 0.000 0.452 503 S N 1.621 117.319 115.700 -0.003 0.000 2.555 503 S HA 0.194 4.613 4.470 -0.084 0.000 0.293 503 S C 0.611 175.214 174.600 0.004 0.000 1.248 503 S CA 0.274 58.474 58.200 -0.001 0.000 1.096 503 S CB 0.648 63.847 63.200 -0.001 0.000 0.881 503 S HN 0.253 nan 8.310 nan 0.000 0.498 504 S N 3.990 119.692 115.700 0.003 0.000 3.324 504 S HA 0.411 4.831 4.470 -0.084 0.000 0.229 504 S C 0.214 174.819 174.600 0.008 0.000 1.417 504 S CA -0.829 57.374 58.200 0.006 0.000 1.211 504 S CB -0.485 62.718 63.200 0.003 0.000 1.157 504 S HN 0.807 nan 8.310 nan 0.000 0.491 505 R N -0.161 120.345 120.500 0.011 0.000 3.132 505 R HA 0.906 5.196 4.340 -0.084 0.000 0.257 505 R C -1.340 174.972 176.300 0.020 0.000 1.203 505 R CA -0.805 55.302 56.100 0.012 0.000 1.008 505 R CB 1.085 31.390 30.300 0.008 0.000 1.378 505 R HN 0.357 nan 8.270 nan 0.000 0.448 506 A N -0.457 122.376 122.820 0.022 0.000 2.612 506 A HA 0.631 4.900 4.320 -0.084 0.000 0.293 506 A C -0.753 176.849 177.584 0.030 0.000 1.075 506 A CA 0.001 52.058 52.037 0.034 0.000 0.680 506 A CB 1.489 20.511 19.000 0.036 0.000 1.279 506 A HN 1.329 nan 8.150 nan 0.000 0.411 507 A N -1.101 121.745 122.820 0.043 0.000 2.899 507 A HA 0.008 4.277 4.320 -0.084 0.000 0.257 507 A C 0.192 177.781 177.584 0.009 0.000 1.335 507 A CA 1.324 53.381 52.037 0.033 0.000 0.924 507 A CB -2.486 16.532 19.000 0.028 0.000 1.105 507 A HN 2.046 nan 8.150 nan 0.000 0.765 508 V N -2.141 117.774 119.914 0.001 0.000 2.709 508 V HA 0.710 4.780 4.120 -0.084 0.000 0.308 508 V C 1.606 177.681 176.094 -0.032 0.000 1.062 508 V CA 0.048 62.339 62.300 -0.015 0.000 0.901 508 V CB 1.228 33.047 31.823 -0.008 0.000 1.003 508 V HN 2.125 nan 8.190 nan 0.000 0.425 509 G N 3.391 112.161 108.800 -0.049 0.000 2.302 509 G HA2 -0.279 3.631 3.960 -0.084 0.000 0.263 509 G HA3 -0.279 3.631 3.960 -0.084 0.000 0.263 509 G C 0.367 175.194 174.900 -0.122 0.000 0.995 509 G CA 0.438 45.500 45.100 -0.064 0.000 0.622 509 G HN 0.692 nan 8.290 nan 0.000 0.538 510 N N 1.416 120.027 118.700 -0.148 0.000 2.292 510 N HA 0.226 4.916 4.740 -0.084 0.000 0.258 510 N C 0.106 175.364 175.510 -0.420 0.000 1.261 510 N CA 0.922 53.794 53.050 -0.296 0.000 0.845 510 N CB 0.445 38.781 38.487 -0.252 0.000 1.064 510 N HN 0.367 nan 8.380 nan 0.000 0.471 511 K N 1.872 121.892 120.400 -0.633 0.000 2.536 511 K HA 0.444 4.714 4.320 -0.084 0.000 0.269 511 K C -0.544 175.478 176.600 -0.963 0.000 0.965 511 K CA -0.481 55.353 56.287 -0.756 0.000 0.860 511 K CB 1.970 33.946 32.500 -0.873 0.000 1.423 511 K HN 0.444 nan 8.250 nan 0.000 0.438 512 M N 1.991 121.101 119.600 -0.816 0.000 2.134 512 M HA 0.394 4.824 4.480 -0.084 0.000 0.310 512 M C -1.297 174.688 176.300 -0.526 0.000 0.966 512 M CA -0.695 54.257 55.300 -0.581 0.000 0.922 512 M CB 0.824 33.259 32.600 -0.276 0.000 1.537 512 M HN 0.354 nan 8.290 nan 0.000 0.424 513 F N 3.346 123.228 119.950 -0.114 0.000 2.411 513 F HA 0.500 4.977 4.527 -0.084 0.000 0.355 513 F C 0.006 175.783 175.800 -0.039 0.000 1.117 513 F CA -0.726 57.229 58.000 -0.075 0.000 1.139 513 F CB 0.767 39.718 39.000 -0.081 0.000 1.120 513 F HN 0.124 nan 8.300 nan 0.000 0.493 514 V N 3.764 123.766 119.914 0.148 0.000 2.513 514 V HA 0.503 4.573 4.120 -0.084 0.000 0.299 514 V C -0.369 175.792 176.094 0.111 0.000 1.035 514 V CA -1.200 61.168 62.300 0.112 0.000 0.889 514 V CB 1.897 33.776 31.823 0.092 0.000 0.988 514 V HN 0.670 nan 8.190 nan 0.000 0.440 515 K N 2.430 122.900 120.400 0.116 0.000 2.443 515 K HA 0.796 5.066 4.320 -0.084 0.000 0.252 515 K C -0.407 176.281 176.600 0.147 0.000 0.933 515 K CA -0.185 56.167 56.287 0.109 0.000 0.792 515 K CB 2.132 34.686 32.500 0.089 0.000 1.185 515 K HN 1.010 nan 8.250 nan 0.000 0.425 516 G N 1.246 110.133 108.800 0.145 0.000 2.495 516 G HA2 0.527 4.437 3.960 -0.084 0.000 0.294 516 G HA3 0.527 4.437 3.960 -0.084 0.000 0.294 516 G C -1.609 173.389 174.900 0.164 0.000 1.397 516 G CA -0.586 44.622 45.100 0.181 0.000 0.790 516 G HN 0.661 nan 8.290 nan 0.000 0.486 517 A N 0.752 123.678 122.820 0.177 0.000 2.488 517 A HA 0.608 4.878 4.320 -0.084 0.000 0.249 517 A C -0.670 176.992 177.584 0.130 0.000 1.083 517 A CA -0.160 51.967 52.037 0.151 0.000 0.768 517 A CB -0.120 18.971 19.000 0.152 0.000 1.017 517 A HN 0.409 nan 8.150 nan 0.000 0.496 518 P HA -0.319 nan 4.420 nan 0.000 0.216 518 P C 1.466 178.819 177.300 0.088 0.000 0.860 518 P CA 1.784 64.956 63.100 0.118 0.000 1.042 518 P CB -0.029 31.736 31.700 0.108 0.000 0.716 519 E N -0.964 119.274 120.200 0.063 0.000 2.124 519 E HA -0.338 3.962 4.350 -0.084 0.000 0.244 519 E C 2.109 178.736 176.600 0.044 0.000 1.019 519 E CA 2.224 58.649 56.400 0.041 0.000 0.941 519 E CB -1.343 28.379 29.700 0.036 0.000 0.851 519 E HN 0.252 nan 8.360 nan 0.000 0.537 520 G N 0.230 109.059 108.800 0.048 0.000 2.649 520 G HA2 -0.357 3.552 3.960 -0.084 0.000 0.220 520 G HA3 -0.357 3.552 3.960 -0.084 0.000 0.220 520 G C 1.693 176.629 174.900 0.059 0.000 1.189 520 G CA 1.818 46.946 45.100 0.046 0.000 0.777 520 G HN 0.331 nan 8.290 nan 0.000 0.602 521 V N 1.570 121.534 119.914 0.084 0.000 2.332 521 V HA -0.185 3.885 4.120 -0.084 0.000 0.248 521 V C 2.823 178.984 176.094 0.112 0.000 1.055 521 V CA 1.607 63.971 62.300 0.107 0.000 1.038 521 V CB -0.329 31.577 31.823 0.138 0.000 0.651 521 V HN 0.396 nan 8.190 nan 0.000 0.450 522 I N -0.046 120.578 120.570 0.090 0.000 2.394 522 I HA -0.147 3.973 4.170 -0.084 0.000 0.251 522 I C 1.961 178.091 176.117 0.022 0.000 1.136 522 I CA 1.409 62.738 61.300 0.049 0.000 1.425 522 I CB -1.087 36.900 38.000 -0.022 0.000 1.079 522 I HN 0.338 nan 8.210 nan 0.000 0.425 523 D N 1.078 121.491 120.400 0.021 0.000 2.348 523 D HA -0.051 4.539 4.640 -0.084 0.000 0.216 523 D C 1.767 178.076 176.300 0.015 0.000 0.970 523 D CA 0.561 54.565 54.000 0.008 0.000 0.889 523 D CB 0.032 40.836 40.800 0.006 0.000 0.912 523 D HN 0.387 nan 8.370 nan 0.000 0.524 524 R N -0.436 120.086 120.500 0.037 0.000 2.427 524 R HA 0.215 4.505 4.340 -0.084 0.000 0.262 524 R C -0.171 176.162 176.300 0.055 0.000 0.943 524 R CA -0.114 56.012 56.100 0.042 0.000 1.081 524 R CB 0.348 30.682 30.300 0.056 0.000 1.166 524 R HN 0.019 nan 8.270 nan 0.000 0.534 525 C N 1.638 120.971 119.300 0.055 0.000 2.264 525 C HA 0.329 4.739 4.460 -0.084 0.000 0.324 525 C C 1.148 176.140 174.990 0.002 0.000 1.267 525 C CA -0.838 58.226 59.018 0.078 0.000 1.618 525 C CB 0.531 28.357 27.740 0.143 0.000 2.278 525 C HN 0.461 nan 8.230 nan 0.000 0.499 526 N N 0.831 119.495 118.700 -0.060 0.000 2.322 526 N HA 0.099 4.789 4.740 -0.084 0.000 0.181 526 N C -0.602 174.638 175.510 -0.451 0.000 1.088 526 N CA 0.592 53.473 53.050 -0.281 0.000 0.885 526 N CB 0.426 38.667 38.487 -0.411 0.000 1.013 526 N HN 0.658 nan 8.380 nan 0.000 0.472 527 Y N -0.519 119.815 120.300 0.057 0.000 2.536 527 Y HA 0.544 5.044 4.550 -0.084 0.000 0.347 527 Y C -0.144 175.817 175.900 0.102 0.000 1.000 527 Y CA -0.935 57.202 58.100 0.062 0.000 1.051 527 Y CB 2.005 40.494 38.460 0.049 0.000 1.259 527 Y HN -0.416 nan 8.280 nan 0.000 0.468 528 V N 2.845 122.924 119.914 0.276 0.000 2.447 528 V HA 0.389 4.459 4.120 -0.084 0.000 0.292 528 V C -0.445 175.783 176.094 0.223 0.000 1.021 528 V CA -1.032 61.430 62.300 0.270 0.000 0.850 528 V CB 1.524 33.477 31.823 0.216 0.000 1.005 528 V HN 0.674 nan 8.190 nan 0.000 0.426 529 R N 4.003 124.617 120.500 0.191 0.000 2.421 529 R HA 0.464 4.754 4.340 -0.084 0.000 0.305 529 R C -0.391 175.984 176.300 0.124 0.000 1.039 529 R CA 0.143 56.312 56.100 0.115 0.000 1.003 529 R CB 0.726 31.057 30.300 0.051 0.000 0.959 529 R HN 0.554 nan 8.270 nan 0.000 0.427 530 V N 4.057 124.036 119.914 0.107 0.000 4.263 530 V HA 0.385 4.455 4.120 -0.084 0.000 0.280 530 V C 1.930 178.078 176.094 0.090 0.000 1.327 530 V CA 0.055 62.422 62.300 0.111 0.000 0.863 530 V CB 0.492 32.375 31.823 0.101 0.000 1.289 530 V HN 1.031 nan 8.190 nan 0.000 0.450 531 G N 1.245 110.098 108.800 0.089 0.000 3.289 531 G HA2 -0.356 3.553 3.960 -0.084 0.000 0.242 531 G HA3 -0.356 3.553 3.960 -0.084 0.000 0.242 531 G C 1.028 175.960 174.900 0.054 0.000 1.044 531 G CA 2.563 47.707 45.100 0.074 0.000 0.747 531 G HN 1.071 nan 8.290 nan 0.000 1.087 532 T N -2.408 112.168 114.554 0.036 0.000 3.058 532 T HA 0.345 4.645 4.350 -0.084 0.000 0.278 532 T C 1.260 175.971 174.700 0.019 0.000 0.974 532 T CA 0.968 63.083 62.100 0.024 0.000 0.893 532 T CB 0.013 68.889 68.868 0.013 0.000 1.138 532 T HN 0.817 nan 8.240 nan 0.000 0.529 533 T N 0.393 114.964 114.554 0.028 0.000 3.449 533 T HA 0.437 4.737 4.350 -0.084 0.000 0.387 533 T C 0.205 174.921 174.700 0.027 0.000 1.222 533 T CA -0.560 61.555 62.100 0.024 0.000 1.008 533 T CB 0.564 69.453 68.868 0.035 0.000 1.688 533 T HN 0.361 nan 8.240 nan 0.000 0.542 534 R N -0.107 120.415 120.500 0.037 0.000 3.233 534 R HA 0.333 4.623 4.340 -0.084 0.000 0.301 534 R C -2.378 173.981 176.300 0.098 0.000 1.018 534 R CA -0.251 55.882 56.100 0.055 0.000 0.989 534 R CB 0.651 30.936 30.300 -0.025 0.000 1.393 534 R HN 0.558 nan 8.270 nan 0.000 0.370 535 V N 5.257 125.256 119.914 0.141 0.000 2.483 535 V HA 0.457 4.526 4.120 -0.084 0.000 0.295 535 V C -1.951 174.267 176.094 0.207 0.000 1.035 535 V CA -2.147 60.246 62.300 0.155 0.000 0.896 535 V CB 1.885 33.767 31.823 0.100 0.000 0.986 535 V HN 0.581 nan 8.190 nan 0.000 0.447 536 P HA -0.036 nan 4.420 nan 0.000 0.266 536 P C -0.179 177.130 177.300 0.016 0.000 1.186 536 P CA -0.099 63.047 63.100 0.076 0.000 0.767 536 P CB 0.233 31.938 31.700 0.008 0.000 0.820 537 M N 4.064 123.632 119.600 -0.053 0.000 2.869 537 M HA 0.060 4.489 4.480 -0.084 0.000 0.299 537 M C 0.196 176.467 176.300 -0.049 0.000 1.508 537 M CA 0.152 55.430 55.300 -0.037 0.000 1.551 537 M CB -1.545 31.022 32.600 -0.056 0.000 1.384 537 M HN 0.346 nan 8.290 nan 0.000 0.491 538 T N 0.544 115.081 114.554 -0.029 0.000 2.652 538 T HA 0.447 4.746 4.350 -0.084 0.000 0.319 538 T C 1.270 175.949 174.700 -0.034 0.000 1.029 538 T CA -0.226 61.854 62.100 -0.032 0.000 0.990 538 T CB 0.400 69.253 68.868 -0.025 0.000 1.098 538 T HN 0.633 nan 8.240 nan 0.000 0.520 539 G N 0.512 109.294 108.800 -0.030 0.000 2.408 539 G HA2 0.067 3.976 3.960 -0.084 0.000 0.215 539 G HA3 0.067 3.976 3.960 -0.084 0.000 0.215 539 G C -0.393 174.497 174.900 -0.016 0.000 1.156 539 G CA 0.290 45.375 45.100 -0.025 0.000 0.793 539 G HN 0.696 nan 8.290 nan 0.000 0.535 540 P HA -0.013 nan 4.420 nan 0.000 0.215 540 P C 2.112 179.421 177.300 0.014 0.000 1.157 540 P CA 0.792 63.908 63.100 0.028 0.000 0.859 540 P CB -0.171 31.561 31.700 0.053 0.000 0.786 541 V N 1.860 121.775 119.914 0.002 0.000 2.219 541 V HA -0.258 3.811 4.120 -0.084 0.000 0.248 541 V C 2.823 178.877 176.094 -0.067 0.000 1.053 541 V CA 2.389 64.679 62.300 -0.016 0.000 1.009 541 V CB -1.431 30.385 31.823 -0.011 0.000 0.636 541 V HN 0.149 nan 8.190 nan 0.000 0.445 542 K N -0.576 119.775 120.400 -0.081 0.000 2.366 542 K HA -0.249 4.021 4.320 -0.084 0.000 0.202 542 K C 2.006 178.548 176.600 -0.096 0.000 1.045 542 K CA 1.504 57.723 56.287 -0.114 0.000 0.934 542 K CB -0.015 32.434 32.500 -0.086 0.000 0.746 542 K HN 0.533 nan 8.250 nan 0.000 0.470 543 E N 0.294 120.454 120.200 -0.066 0.000 2.086 543 E HA -0.134 4.166 4.350 -0.084 0.000 0.190 543 E C 1.824 178.374 176.600 -0.083 0.000 0.975 543 E CA 0.751 57.115 56.400 -0.060 0.000 0.813 543 E CB -0.055 29.627 29.700 -0.031 0.000 0.768 543 E HN 0.115 nan 8.360 nan 0.000 0.457 544 K N 1.624 121.976 120.400 -0.081 0.000 2.032 544 K HA -0.083 4.187 4.320 -0.084 0.000 0.209 544 K C 2.070 178.563 176.600 -0.178 0.000 1.048 544 K CA 0.934 57.153 56.287 -0.114 0.000 0.927 544 K CB -0.565 31.890 32.500 -0.075 0.000 0.712 544 K HN 0.037 nan 8.250 nan 0.000 0.441 545 I N 0.408 120.883 120.570 -0.158 0.000 2.069 545 I HA -0.347 3.773 4.170 -0.084 0.000 0.237 545 I C 2.110 178.133 176.117 -0.158 0.000 1.053 545 I CA 1.577 62.789 61.300 -0.146 0.000 1.311 545 I CB -0.364 37.480 38.000 -0.260 0.000 1.030 545 I HN 0.119 nan 8.210 nan 0.000 0.398 546 L N 0.053 121.200 121.223 -0.128 0.000 2.189 546 L HA -0.233 4.057 4.340 -0.084 0.000 0.214 546 L C 2.572 179.371 176.870 -0.119 0.000 1.097 546 L CA 1.027 55.811 54.840 -0.095 0.000 0.764 546 L CB -0.647 41.370 42.059 -0.070 0.000 0.900 546 L HN 0.229 nan 8.230 nan 0.000 0.436 547 S N -0.677 114.929 115.700 -0.156 0.000 2.355 547 S HA -0.115 4.305 4.470 -0.084 0.000 0.222 547 S C 2.007 176.470 174.600 -0.229 0.000 1.031 547 S CA 1.224 59.327 58.200 -0.162 0.000 0.993 547 S CB -0.145 62.960 63.200 -0.158 0.000 0.859 547 S HN 0.195 nan 8.310 nan 0.000 0.453 548 V N 2.151 121.826 119.914 -0.398 0.000 2.488 548 V HA -0.010 4.059 4.120 -0.084 0.000 0.246 548 V C 1.940 177.694 176.094 -0.566 0.000 1.046 548 V CA 1.052 62.970 62.300 -0.638 0.000 1.053 548 V CB -0.652 30.457 31.823 -1.191 0.000 0.679 548 V HN 0.456 nan 8.190 nan 0.000 0.458 549 I N -0.204 120.146 120.570 -0.368 0.000 2.800 549 I HA -0.259 3.861 4.170 -0.084 0.000 0.266 549 I C 2.413 178.531 176.117 0.002 0.000 1.249 549 I CA 1.524 62.763 61.300 -0.103 0.000 1.458 549 I CB -0.332 37.669 38.000 0.001 0.000 1.093 549 I HN 0.323 nan 8.210 nan 0.000 0.466 550 K N 0.664 121.035 120.400 -0.048 0.000 2.172 550 K HA -0.078 4.192 4.320 -0.084 0.000 0.203 550 K C 2.032 178.661 176.600 0.049 0.000 1.040 550 K CA 0.330 56.621 56.287 0.007 0.000 0.974 550 K CB 0.087 32.572 32.500 -0.025 0.000 0.857 550 K HN 0.114 nan 8.250 nan 0.000 0.464 551 E N -0.396 119.812 120.200 0.013 0.000 2.273 551 E HA -0.212 4.088 4.350 -0.084 0.000 0.198 551 E C 1.078 177.853 176.600 0.292 0.000 1.002 551 E CA 1.158 57.614 56.400 0.094 0.000 0.828 551 E CB 0.126 29.849 29.700 0.038 0.000 0.747 551 E HN 0.327 nan 8.360 nan 0.000 0.491 552 W N -0.338 120.953 121.300 -0.015 0.000 2.601 552 W HA 0.276 4.886 4.660 -0.083 0.000 0.292 552 W C 2.393 178.924 176.519 0.020 0.000 1.153 552 W CA 0.798 58.148 57.345 0.009 0.000 1.448 552 W CB -1.096 28.387 29.460 0.038 0.000 1.113 552 W HN 0.093 nan 8.180 nan 0.000 0.548 553 G N -0.561 108.402 108.800 0.271 0.000 2.776 553 G HA2 -0.110 3.800 3.960 -0.084 0.000 0.209 553 G HA3 -0.110 3.800 3.960 -0.084 0.000 0.209 553 G C 1.279 176.241 174.900 0.103 0.000 1.145 553 G CA 1.830 47.027 45.100 0.163 0.000 0.791 553 G HN 0.312 nan 8.290 nan 0.000 0.530 554 T N -2.865 111.747 114.554 0.096 0.000 3.019 554 T HA 0.354 4.654 4.350 -0.084 0.000 0.247 554 T C 1.647 176.377 174.700 0.050 0.000 0.992 554 T CA 0.732 62.867 62.100 0.059 0.000 1.036 554 T CB -0.110 68.784 68.868 0.043 0.000 1.063 554 T HN 0.275 nan 8.240 nan 0.000 0.476 555 G N 2.280 111.119 108.800 0.065 0.000 2.902 555 G HA2 0.111 4.021 3.960 -0.084 0.000 0.240 555 G HA3 0.111 4.021 3.960 -0.084 0.000 0.240 555 G C 1.059 175.974 174.900 0.024 0.000 1.244 555 G CA 0.120 45.247 45.100 0.045 0.000 0.862 555 G HN 0.786 nan 8.290 nan 0.000 0.603 556 R N -0.475 120.032 120.500 0.011 0.000 2.154 556 R HA -0.143 4.147 4.340 -0.084 0.000 0.248 556 R C 1.223 177.521 176.300 -0.003 0.000 1.155 556 R CA 2.033 58.136 56.100 0.004 0.000 0.979 556 R CB -0.367 29.932 30.300 -0.001 0.000 0.869 556 R HN 0.522 nan 8.270 nan 0.000 0.452 557 D N 1.001 121.391 120.400 -0.016 0.000 2.194 557 D HA -0.085 4.505 4.640 -0.084 0.000 0.204 557 D C 0.318 176.610 176.300 -0.013 0.000 0.964 557 D CA 1.970 55.950 54.000 -0.033 0.000 0.846 557 D CB -0.055 40.698 40.800 -0.077 0.000 0.962 557 D HN 0.513 nan 8.370 nan 0.000 0.490 558 T N -0.781 113.780 114.554 0.011 0.000 3.803 558 T HA -0.248 4.052 4.350 -0.084 0.000 0.376 558 T C 0.245 174.967 174.700 0.036 0.000 0.761 558 T CA 0.021 62.141 62.100 0.033 0.000 1.962 558 T CB -2.625 66.259 68.868 0.027 0.000 1.780 558 T HN 0.161 nan 8.240 nan 0.000 0.771 559 L N 0.407 121.654 121.223 0.040 0.000 2.426 559 L HA 0.369 4.659 4.340 -0.084 0.000 0.271 559 L C 1.276 178.204 176.870 0.097 0.000 1.169 559 L CA -0.650 54.216 54.840 0.043 0.000 0.836 559 L CB 0.582 42.641 42.059 -0.000 0.000 1.112 559 L HN 0.471 nan 8.230 nan 0.000 0.465 560 R N 2.293 122.843 120.500 0.083 0.000 2.298 560 R HA 0.314 4.604 4.340 -0.084 0.000 0.310 560 R C -1.205 175.180 176.300 0.141 0.000 1.068 560 R CA -0.414 55.746 56.100 0.099 0.000 0.957 560 R CB 0.581 30.924 30.300 0.072 0.000 1.003 560 R HN 0.629 nan 8.270 nan 0.000 0.454 561 C N 4.971 124.372 119.300 0.170 0.000 2.391 561 C HA 0.576 4.986 4.460 -0.084 0.000 0.339 561 C C -0.861 174.232 174.990 0.173 0.000 1.205 561 C CA -0.788 58.359 59.018 0.216 0.000 1.937 561 C CB 0.957 28.861 27.740 0.273 0.000 2.341 561 C HN 0.681 nan 8.230 nan 0.000 0.516 562 L N 2.499 123.827 121.223 0.175 0.000 2.385 562 L HA 0.693 4.982 4.340 -0.084 0.000 0.273 562 L C 0.148 177.099 176.870 0.135 0.000 0.990 562 L CA -0.032 54.891 54.840 0.138 0.000 0.821 562 L CB 1.521 43.643 42.059 0.104 0.000 1.279 562 L HN 0.846 nan 8.230 nan 0.000 0.412 563 A N 5.326 128.229 122.820 0.138 0.000 2.274 563 A HA 0.766 5.036 4.320 -0.084 0.000 0.309 563 A C -0.941 176.689 177.584 0.077 0.000 1.226 563 A CA -0.363 51.764 52.037 0.150 0.000 0.853 563 A CB 0.183 19.308 19.000 0.209 0.000 1.146 563 A HN 0.643 nan 8.150 nan 0.000 0.518 564 L N 2.374 123.576 121.223 -0.036 0.000 2.305 564 L HA 0.738 5.028 4.340 -0.084 0.000 0.284 564 L C 0.286 177.053 176.870 -0.172 0.000 1.013 564 L CA -0.183 54.600 54.840 -0.095 0.000 0.819 564 L CB 1.560 43.532 42.059 -0.144 0.000 1.227 564 L HN 0.835 nan 8.230 nan 0.000 0.417 565 A N 2.100 124.902 122.820 -0.029 0.000 2.594 565 A HA 0.949 5.219 4.320 -0.084 0.000 0.291 565 A C -0.841 176.782 177.584 0.065 0.000 1.105 565 A CA -0.543 51.491 52.037 -0.006 0.000 0.694 565 A CB 2.103 21.150 19.000 0.078 0.000 1.291 565 A HN 0.509 nan 8.150 nan 0.000 0.410 566 T N 0.542 115.125 114.554 0.050 0.000 2.893 566 T HA 0.535 4.835 4.350 -0.084 0.000 0.293 566 T C -0.395 174.279 174.700 -0.043 0.000 1.027 566 T CA -0.637 61.460 62.100 -0.006 0.000 0.988 566 T CB 1.587 70.446 68.868 -0.015 0.000 1.043 566 T HN 0.603 nan 8.240 nan 0.000 0.461 567 R N 1.928 122.361 120.500 -0.112 0.000 2.235 567 R HA 0.138 4.428 4.340 -0.084 0.000 0.338 567 R C -0.019 176.193 176.300 -0.147 0.000 1.087 567 R CA -0.350 55.707 56.100 -0.072 0.000 0.948 567 R CB 0.213 30.482 30.300 -0.052 0.000 1.099 567 R HN 0.629 nan 8.270 nan 0.000 0.483 568 D N 1.441 121.782 120.400 -0.097 0.000 2.104 568 D HA -0.098 4.491 4.640 -0.084 0.000 0.194 568 D C -0.019 176.204 176.300 -0.128 0.000 0.994 568 D CA 1.670 55.593 54.000 -0.128 0.000 0.830 568 D CB 0.392 41.119 40.800 -0.120 0.000 0.959 568 D HN 0.420 nan 8.370 nan 0.000 0.452 569 T N 3.110 117.618 114.554 -0.076 0.000 3.253 569 T HA 0.280 4.580 4.350 -0.084 0.000 0.391 569 T C -2.387 172.305 174.700 -0.013 0.000 1.527 569 T CA -1.285 60.785 62.100 -0.050 0.000 1.268 569 T CB 2.042 70.898 68.868 -0.021 0.000 1.126 569 T HN 0.039 nan 8.240 nan 0.000 0.620 570 P HA 0.303 nan 4.420 nan 0.000 0.274 570 P C -2.353 175.027 177.300 0.134 0.000 1.231 570 P CA -1.339 61.783 63.100 0.038 0.000 0.790 570 P CB 0.202 31.859 31.700 -0.072 0.000 0.951 571 P HA 0.082 nan 4.420 nan 0.000 0.272 571 P C -0.216 177.195 177.300 0.184 0.000 1.248 571 P CA -0.053 63.147 63.100 0.168 0.000 0.799 571 P CB 0.717 32.533 31.700 0.193 0.000 0.997 572 K N 0.459 120.925 120.400 0.110 0.000 2.144 572 K HA 0.091 4.361 4.320 -0.084 0.000 0.270 572 K C 1.603 178.177 176.600 -0.043 0.000 1.005 572 K CA -0.661 55.677 56.287 0.086 0.000 0.932 572 K CB 0.664 33.197 32.500 0.055 0.000 1.021 572 K HN 0.184 nan 8.250 nan 0.000 0.462 573 R N 2.628 123.040 120.500 -0.148 0.000 2.133 573 R HA -0.215 4.075 4.340 -0.084 0.000 0.247 573 R C 0.951 177.114 176.300 -0.229 0.000 1.151 573 R CA 2.073 57.985 56.100 -0.313 0.000 0.971 573 R CB -0.258 29.865 30.300 -0.295 0.000 0.866 573 R HN 0.804 nan 8.270 nan 0.000 0.447 574 E N 0.460 120.589 120.200 -0.120 0.000 2.013 574 E HA -0.210 4.090 4.350 -0.084 0.000 0.202 574 E C 1.189 177.747 176.600 -0.071 0.000 1.018 574 E CA 1.531 57.882 56.400 -0.083 0.000 0.834 574 E CB -0.348 29.329 29.700 -0.037 0.000 0.770 574 E HN 0.504 nan 8.360 nan 0.000 0.459 575 E N 0.609 120.790 120.200 -0.031 0.000 2.413 575 E HA -0.020 4.280 4.350 -0.084 0.000 0.204 575 E C -0.248 176.372 176.600 0.034 0.000 1.275 575 E CA 0.235 56.646 56.400 0.019 0.000 1.090 575 E CB -0.406 29.328 29.700 0.056 0.000 1.145 575 E HN 0.262 nan 8.360 nan 0.000 0.472 576 M N 1.124 120.673 119.600 -0.085 0.000 2.263 576 M HA 0.230 4.660 4.480 -0.084 0.000 0.295 576 M C -0.732 175.497 176.300 -0.119 0.000 1.028 576 M CA -1.028 54.157 55.300 -0.192 0.000 0.921 576 M CB 2.630 34.891 32.600 -0.566 0.000 1.601 576 M HN -0.153 nan 8.290 nan 0.000 0.440 577 V N 2.687 122.658 119.914 0.096 0.000 2.328 577 V HA 0.531 4.601 4.120 -0.084 0.000 0.278 577 V C -0.472 175.730 176.094 0.180 0.000 1.021 577 V CA -0.606 61.748 62.300 0.091 0.000 0.838 577 V CB 0.639 32.535 31.823 0.121 0.000 0.999 577 V HN 0.822 nan 8.190 nan 0.000 0.447 578 L N 5.828 127.088 121.223 0.062 0.000 2.589 578 L HA 0.598 4.888 4.340 -0.084 0.000 0.244 578 L C 0.031 177.018 176.870 0.196 0.000 1.159 578 L CA -0.093 54.861 54.840 0.190 0.000 1.074 578 L CB -0.008 41.977 42.059 -0.123 0.000 1.391 578 L HN 0.892 nan 8.230 nan 0.000 0.423 579 D N -0.067 120.437 120.400 0.173 0.000 2.682 579 D HA 0.038 4.627 4.640 -0.084 0.000 0.291 579 D C -0.590 175.683 176.300 -0.044 0.000 1.585 579 D CA -0.138 53.902 54.000 0.066 0.000 0.845 579 D CB 0.680 41.498 40.800 0.028 0.000 1.323 579 D HN 0.463 nan 8.370 nan 0.000 0.438 580 D N 0.231 120.497 120.400 -0.223 0.000 2.795 580 D HA -0.025 4.564 4.640 -0.084 0.000 0.206 580 D C 0.820 176.576 176.300 -0.906 0.000 1.278 580 D CA -0.296 53.481 54.000 -0.372 0.000 0.839 580 D CB 1.494 42.155 40.800 -0.232 0.000 1.700 580 D HN -0.139 nan 8.370 nan 0.000 0.549 581 S N 1.757 117.028 115.700 -0.715 0.000 2.440 581 S HA -0.233 4.187 4.470 -0.084 0.000 0.238 581 S C 1.887 176.172 174.600 -0.526 0.000 1.010 581 S CA 1.483 59.232 58.200 -0.752 0.000 0.972 581 S CB -0.185 62.876 63.200 -0.231 0.000 0.774 581 S HN 0.493 nan 8.310 nan 0.000 0.501 582 S N 1.957 117.432 115.700 -0.376 0.000 2.372 582 S HA -0.172 4.248 4.470 -0.084 0.000 0.227 582 S C 2.065 176.542 174.600 -0.205 0.000 1.044 582 S CA 1.214 59.277 58.200 -0.228 0.000 1.050 582 S CB -0.373 62.722 63.200 -0.175 0.000 0.901 582 S HN 0.527 nan 8.310 nan 0.000 0.447 583 R N -0.111 120.239 120.500 -0.251 0.000 2.200 583 R HA 0.196 4.486 4.340 -0.084 0.000 0.208 583 R C 2.047 178.296 176.300 -0.085 0.000 1.033 583 R CA 0.525 56.500 56.100 -0.207 0.000 1.000 583 R CB -0.994 29.213 30.300 -0.155 0.000 0.906 583 R HN 0.609 nan 8.270 nan 0.000 0.462 584 F N 0.974 120.945 119.950 0.034 0.000 2.120 584 F HA -0.270 4.207 4.527 -0.084 0.000 0.300 584 F C 2.582 178.427 175.800 0.075 0.000 1.095 584 F CA 0.771 58.884 58.000 0.189 0.000 1.249 584 F CB -0.389 38.711 39.000 0.167 0.000 0.995 584 F HN 0.025 nan 8.300 nan 0.000 0.480 585 M N 0.690 120.393 119.600 0.172 0.000 2.195 585 M HA -0.258 4.172 4.480 -0.084 0.000 0.260 585 M C 2.048 178.375 176.300 0.046 0.000 1.066 585 M CA 1.848 57.197 55.300 0.082 0.000 1.089 585 M CB -0.288 32.320 32.600 0.013 0.000 1.377 585 M HN 0.181 nan 8.290 nan 0.000 0.411 586 E N -0.596 119.579 120.200 -0.041 0.000 2.028 586 E HA -0.193 4.107 4.350 -0.084 0.000 0.190 586 E C 1.727 178.315 176.600 -0.018 0.000 0.984 586 E CA 1.516 57.854 56.400 -0.103 0.000 0.800 586 E CB -0.278 29.264 29.700 -0.262 0.000 0.758 586 E HN 0.684 nan 8.360 nan 0.000 0.448 587 Y N 1.312 121.688 120.300 0.127 0.000 2.241 587 Y HA -0.133 4.367 4.550 -0.084 0.000 0.286 587 Y C 1.329 177.289 175.900 0.100 0.000 1.166 587 Y CA 1.088 59.262 58.100 0.123 0.000 1.203 587 Y CB -0.246 38.307 38.460 0.154 0.000 0.977 587 Y HN 0.114 nan 8.280 nan 0.000 0.529 588 E N 0.901 121.246 120.200 0.242 0.000 2.424 588 E HA 0.050 4.350 4.350 -0.084 0.000 0.237 588 E C 0.238 176.906 176.600 0.113 0.000 1.381 588 E CA 0.154 56.650 56.400 0.159 0.000 1.587 588 E CB -0.420 29.367 29.700 0.146 0.000 1.398 588 E HN 0.357 nan 8.360 nan 0.000 0.439 589 T N -2.912 111.708 114.554 0.110 0.000 2.940 589 T HA 0.288 4.588 4.350 -0.084 0.000 0.288 589 T C 0.082 174.837 174.700 0.091 0.000 1.045 589 T CA -0.910 61.240 62.100 0.083 0.000 1.018 589 T CB 1.589 70.494 68.868 0.061 0.000 1.151 589 T HN -0.015 nan 8.240 nan 0.000 0.529 590 D N -0.144 120.304 120.400 0.080 0.000 2.718 590 D HA -0.128 4.462 4.640 -0.084 0.000 0.242 590 D C -0.638 175.751 176.300 0.148 0.000 1.123 590 D CA 0.402 54.467 54.000 0.108 0.000 0.690 590 D CB -1.582 39.293 40.800 0.125 0.000 1.059 590 D HN 0.646 nan 8.370 nan 0.000 0.429 591 L N -0.377 120.923 121.223 0.128 0.000 2.375 591 L HA 0.573 4.863 4.340 -0.084 0.000 0.268 591 L C 1.002 177.986 176.870 0.191 0.000 1.058 591 L CA -0.681 54.241 54.840 0.136 0.000 0.803 591 L CB 1.566 43.694 42.059 0.116 0.000 1.212 591 L HN -0.037 nan 8.230 nan 0.000 0.451 592 T N 1.622 116.278 114.554 0.170 0.000 2.893 592 T HA 0.258 4.558 4.350 -0.084 0.000 0.324 592 T C -0.410 174.390 174.700 0.167 0.000 1.082 592 T CA -0.321 61.899 62.100 0.200 0.000 0.983 592 T CB 0.123 69.072 68.868 0.134 0.000 1.005 592 T HN 0.296 nan 8.240 nan 0.000 0.475 593 F N 4.725 124.719 119.950 0.073 0.000 2.602 593 F HA 0.148 4.625 4.527 -0.084 0.000 0.385 593 F C 0.808 176.627 175.800 0.033 0.000 1.063 593 F CA 0.166 58.193 58.000 0.044 0.000 1.233 593 F CB 0.525 39.546 39.000 0.035 0.000 1.067 593 F HN 0.323 nan 8.300 nan 0.000 0.564 594 V N 5.183 124.615 119.914 -0.804 0.000 2.521 594 V HA 0.447 4.517 4.120 -0.084 0.000 0.239 594 V C 1.248 176.739 176.094 -1.004 0.000 1.053 594 V CA 0.896 62.823 62.300 -0.622 0.000 1.073 594 V CB -0.470 31.166 31.823 -0.313 0.000 0.746 594 V HN 1.090 nan 8.190 nan 0.000 0.476 595 G N -1.022 106.981 108.800 -1.329 0.000 2.428 595 G HA2 0.526 4.436 3.960 -0.084 0.000 0.304 595 G HA3 0.526 4.436 3.960 -0.084 0.000 0.304 595 G C -2.192 172.326 174.900 -0.637 0.000 1.303 595 G CA -0.165 44.325 45.100 -1.017 0.000 0.825 595 G HN 0.025 nan 8.290 nan 0.000 0.484 596 V N -0.090 119.487 119.914 -0.562 0.000 2.841 596 V HA 0.736 4.806 4.120 -0.084 0.000 0.310 596 V C -0.069 176.052 176.094 0.046 0.000 1.090 596 V CA -0.654 61.528 62.300 -0.197 0.000 0.930 596 V CB 1.694 33.479 31.823 -0.064 0.000 1.014 596 V HN 1.307 nan 8.190 nan 0.000 0.425 597 V N 0.636 120.654 119.914 0.173 0.000 2.715 597 V HA 1.040 5.110 4.120 -0.084 0.000 0.310 597 V C 0.242 176.525 176.094 0.315 0.000 1.054 597 V CA -0.564 61.887 62.300 0.252 0.000 0.928 597 V CB 1.769 33.661 31.823 0.115 0.000 1.007 597 V HN 1.038 nan 8.190 nan 0.000 0.437 598 G N 4.547 113.515 108.800 0.280 0.000 2.605 598 G HA2 0.653 4.562 3.960 -0.084 0.000 0.304 598 G HA3 0.653 4.562 3.960 -0.084 0.000 0.304 598 G C -0.642 174.284 174.900 0.042 0.000 1.333 598 G CA -0.830 44.387 45.100 0.194 0.000 0.973 598 G HN 1.026 nan 8.290 nan 0.000 0.507 599 M N 2.050 121.684 119.600 0.058 0.000 2.753 599 M HA 0.928 5.358 4.480 -0.084 0.000 0.299 599 M C -0.451 175.857 176.300 0.013 0.000 1.219 599 M CA -1.003 54.311 55.300 0.024 0.000 0.900 599 M CB 2.240 34.866 32.600 0.042 0.000 1.628 599 M HN 0.559 nan 8.290 nan 0.000 0.502 600 L N -1.824 119.400 121.223 0.000 0.000 3.075 600 L HA 0.528 4.818 4.340 -0.084 0.000 0.274 600 L C -2.033 174.826 176.870 -0.017 0.000 1.006 600 L CA -1.027 53.809 54.840 -0.006 0.000 0.972 600 L CB 1.782 43.828 42.059 -0.023 0.000 1.515 600 L HN 0.751 nan 8.230 nan 0.000 0.402 601 D N 3.265 123.653 120.400 -0.020 0.000 2.339 601 D HA 0.441 5.031 4.640 -0.084 0.000 0.241 601 D C -2.431 173.841 176.300 -0.047 0.000 1.183 601 D CA -1.430 52.549 54.000 -0.036 0.000 0.859 601 D CB 1.241 42.026 40.800 -0.027 0.000 1.067 601 D HN 0.472 nan 8.370 nan 0.000 0.484 602 P HA 0.302 nan 4.420 nan 0.000 0.276 602 P C -2.767 174.500 177.300 -0.055 0.000 1.244 602 P CA -1.627 61.439 63.100 -0.057 0.000 0.801 602 P CB 0.641 32.303 31.700 -0.062 0.000 1.006 603 P HA 0.193 nan 4.420 nan 0.000 0.281 603 P C 0.260 177.543 177.300 -0.029 0.000 1.252 603 P CA -0.110 62.963 63.100 -0.045 0.000 0.778 603 P CB 0.739 32.411 31.700 -0.046 0.000 0.895 604 R N 1.372 121.861 120.500 -0.018 0.000 2.919 604 R HA -0.026 4.263 4.340 -0.084 0.000 0.271 604 R C 0.643 176.950 176.300 0.012 0.000 0.995 604 R CA 0.084 56.183 56.100 -0.002 0.000 1.158 604 R CB -0.113 30.198 30.300 0.019 0.000 1.071 604 R HN 0.363 nan 8.270 nan 0.000 0.476 605 K N 2.357 122.765 120.400 0.012 0.000 2.466 605 K HA -0.136 4.134 4.320 -0.084 0.000 0.278 605 K C 0.261 176.879 176.600 0.029 0.000 1.048 605 K CA 0.925 57.221 56.287 0.015 0.000 1.088 605 K CB 0.117 32.625 32.500 0.013 0.000 0.884 605 K HN 0.591 nan 8.250 nan 0.000 0.478 606 E N 0.672 120.888 120.200 0.027 0.000 4.562 606 E HA -0.282 4.017 4.350 -0.084 0.000 0.293 606 E C 1.310 177.950 176.600 0.068 0.000 0.724 606 E CA 1.297 57.719 56.400 0.035 0.000 1.636 606 E CB -1.890 27.826 29.700 0.027 0.000 1.797 606 E HN 0.429 nan 8.360 nan 0.000 0.420 607 V N 1.840 121.814 119.914 0.100 0.000 2.313 607 V HA -0.340 3.730 4.120 -0.084 0.000 0.253 607 V C 2.648 178.811 176.094 0.114 0.000 1.070 607 V CA 2.764 65.172 62.300 0.180 0.000 1.057 607 V CB -0.565 31.332 31.823 0.122 0.000 0.653 607 V HN 0.328 nan 8.190 nan 0.000 0.450 608 M N -0.145 119.481 119.600 0.043 0.000 2.108 608 M HA -0.135 4.295 4.480 -0.084 0.000 0.261 608 M C 2.218 178.538 176.300 0.033 0.000 1.066 608 M CA 2.273 57.583 55.300 0.016 0.000 1.107 608 M CB -1.147 31.453 32.600 -0.001 0.000 1.356 608 M HN 0.528 nan 8.290 nan 0.000 0.406 609 G N -1.336 107.488 108.800 0.040 0.000 2.551 609 G HA2 -0.046 3.864 3.960 -0.084 0.000 0.216 609 G HA3 -0.046 3.864 3.960 -0.084 0.000 0.216 609 G C 1.599 176.528 174.900 0.049 0.000 1.137 609 G CA 0.437 45.557 45.100 0.034 0.000 0.798 609 G HN 0.416 nan 8.290 nan 0.000 0.536 610 S N 0.583 116.333 115.700 0.084 0.000 2.368 610 S HA 0.008 4.428 4.470 -0.084 0.000 0.224 610 S C 2.217 176.903 174.600 0.145 0.000 1.029 610 S CA 0.450 58.700 58.200 0.084 0.000 0.988 610 S CB -0.169 63.083 63.200 0.087 0.000 0.838 610 S HN 0.343 nan 8.310 nan 0.000 0.462 611 I N 1.571 122.278 120.570 0.229 0.000 2.264 611 I HA -0.228 3.892 4.170 -0.084 0.000 0.248 611 I C 2.753 178.918 176.117 0.080 0.000 1.111 611 I CA 1.230 62.641 61.300 0.185 0.000 1.382 611 I CB -0.285 37.752 38.000 0.062 0.000 1.060 611 I HN 0.276 nan 8.210 nan 0.000 0.418 612 Q N 1.211 121.042 119.800 0.051 0.000 2.170 612 Q HA -0.175 4.115 4.340 -0.084 0.000 0.203 612 Q C 2.055 178.068 176.000 0.021 0.000 0.976 612 Q CA 1.671 57.490 55.803 0.026 0.000 0.858 612 Q CB -0.396 28.352 28.738 0.016 0.000 0.907 612 Q HN 0.500 nan 8.270 nan 0.000 0.433 613 L N -0.949 120.288 121.223 0.025 0.000 2.056 613 L HA -0.225 4.065 4.340 -0.084 0.000 0.207 613 L C 2.345 179.218 176.870 0.005 0.000 1.078 613 L CA 1.126 55.970 54.840 0.007 0.000 0.749 613 L CB -0.318 41.738 42.059 -0.004 0.000 0.901 613 L HN 0.363 nan 8.230 nan 0.000 0.433 614 C N -0.934 118.379 119.300 0.021 0.000 2.413 614 C HA -0.184 4.226 4.460 -0.084 0.000 0.276 614 C C 2.881 177.880 174.990 0.014 0.000 1.248 614 C CA 0.702 59.732 59.018 0.020 0.000 1.742 614 C CB -1.009 26.769 27.740 0.064 0.000 2.017 614 C HN 0.442 nan 8.230 nan 0.000 0.481 615 R N 0.810 121.321 120.500 0.018 0.000 2.091 615 R HA -0.138 4.152 4.340 -0.084 0.000 0.238 615 R C 1.669 177.969 176.300 -0.000 0.000 1.136 615 R CA 1.750 57.855 56.100 0.009 0.000 0.959 615 R CB -0.306 29.999 30.300 0.009 0.000 0.856 615 R HN 0.601 nan 8.270 nan 0.000 0.437 616 D N -0.492 119.906 120.400 -0.003 0.000 2.269 616 D HA -0.087 4.503 4.640 -0.084 0.000 0.208 616 D C 0.797 177.087 176.300 -0.016 0.000 0.963 616 D CA 1.000 54.994 54.000 -0.011 0.000 0.864 616 D CB 0.180 40.973 40.800 -0.012 0.000 0.936 616 D HN 0.269 nan 8.370 nan 0.000 0.505 617 A N 0.184 122.996 122.820 -0.014 0.000 2.507 617 A HA 0.473 4.743 4.320 -0.084 0.000 0.270 617 A C 1.466 179.039 177.584 -0.018 0.000 1.318 617 A CA 0.388 52.413 52.037 -0.020 0.000 0.924 617 A CB -0.272 18.713 19.000 -0.024 0.000 1.061 617 A HN 0.128 nan 8.150 nan 0.000 0.516 618 G N 0.208 109.000 108.800 -0.013 0.000 2.341 618 G HA2 -0.250 3.660 3.960 -0.084 0.000 0.292 618 G HA3 -0.250 3.660 3.960 -0.084 0.000 0.292 618 G C 0.019 174.916 174.900 -0.005 0.000 1.021 618 G CA 0.751 45.844 45.100 -0.011 0.000 0.905 618 G HN 0.581 nan 8.290 nan 0.000 0.508 619 I N -0.003 120.568 120.570 0.002 0.000 2.359 619 I HA 0.355 4.474 4.170 -0.084 0.000 0.294 619 I C 0.873 177.005 176.117 0.024 0.000 0.987 619 I CA -0.868 60.438 61.300 0.011 0.000 1.225 619 I CB 1.255 39.261 38.000 0.009 0.000 1.366 619 I HN -0.013 nan 8.210 nan 0.000 0.466 620 R N 4.935 125.452 120.500 0.029 0.000 2.298 620 R HA 0.420 4.709 4.340 -0.084 0.000 0.310 620 R C -0.935 175.394 176.300 0.048 0.000 1.068 620 R CA -0.522 55.596 56.100 0.030 0.000 0.957 620 R CB 1.425 31.743 30.300 0.032 0.000 1.003 620 R HN 0.370 nan 8.270 nan 0.000 0.454 621 V N 6.096 126.027 119.914 0.028 0.000 2.350 621 V HA 0.372 4.442 4.120 -0.084 0.000 0.276 621 V C 0.325 176.393 176.094 -0.044 0.000 1.028 621 V CA -0.483 61.837 62.300 0.033 0.000 0.860 621 V CB 1.193 33.033 31.823 0.029 0.000 0.990 621 V HN 0.620 nan 8.190 nan 0.000 0.453 622 I N 5.466 126.038 120.570 0.004 0.000 2.389 622 I HA 0.441 4.560 4.170 -0.084 0.000 0.288 622 I C -0.059 176.061 176.117 0.005 0.000 0.999 622 I CA -0.343 60.964 61.300 0.012 0.000 1.129 622 I CB 1.772 39.859 38.000 0.144 0.000 1.288 622 I HN 0.586 nan 8.210 nan 0.000 0.444 623 M N 7.499 127.062 119.600 -0.061 0.000 2.146 623 M HA 0.508 4.938 4.480 -0.084 0.000 0.357 623 M C -1.200 175.138 176.300 0.064 0.000 1.261 623 M CA -0.093 55.173 55.300 -0.057 0.000 1.106 623 M CB 0.827 33.343 32.600 -0.140 0.000 1.612 623 M HN 0.481 nan 8.290 nan 0.000 0.470 624 I N 3.663 124.276 120.570 0.071 0.000 2.441 624 I HA 0.518 4.638 4.170 -0.084 0.000 0.295 624 I C -0.124 176.031 176.117 0.062 0.000 0.994 624 I CA -0.361 61.009 61.300 0.118 0.000 1.144 624 I CB 2.234 40.277 38.000 0.070 0.000 1.314 624 I HN 0.709 nan 8.210 nan 0.000 0.445 625 T N 2.336 116.937 114.554 0.078 0.000 2.749 625 T HA 0.396 4.696 4.350 -0.084 0.000 0.310 625 T C 0.450 175.182 174.700 0.052 0.000 1.496 625 T CA -0.037 62.091 62.100 0.046 0.000 1.006 625 T CB 1.525 70.410 68.868 0.028 0.000 1.457 625 T HN 0.716 nan 8.240 nan 0.000 0.497 626 G N 0.592 109.413 108.800 0.035 0.000 2.838 626 G HA2 0.218 4.128 3.960 -0.084 0.000 0.210 626 G HA3 0.218 4.128 3.960 -0.084 0.000 0.210 626 G C 0.238 175.161 174.900 0.039 0.000 1.153 626 G CA 0.014 45.135 45.100 0.036 0.000 0.778 626 G HN 0.684 nan 8.290 nan 0.000 0.539 627 D N 0.586 121.008 120.400 0.037 0.000 2.278 627 D HA 0.202 4.792 4.640 -0.084 0.000 0.240 627 D C 0.748 177.075 176.300 0.046 0.000 1.347 627 D CA 0.324 54.346 54.000 0.035 0.000 0.945 627 D CB 0.358 41.175 40.800 0.028 0.000 1.175 627 D HN 0.452 nan 8.370 nan 0.000 0.519 628 N N -1.072 117.652 118.700 0.041 0.000 2.492 628 N HA 0.161 4.851 4.740 -0.084 0.000 0.289 628 N C 0.368 175.903 175.510 0.042 0.000 1.133 628 N CA -0.819 52.258 53.050 0.044 0.000 0.961 628 N CB 1.331 39.840 38.487 0.037 0.000 1.186 628 N HN 0.240 nan 8.380 nan 0.000 0.493 629 K N 0.851 121.277 120.400 0.044 0.000 2.015 629 K HA -0.233 4.037 4.320 -0.084 0.000 0.220 629 K C 1.835 178.447 176.600 0.019 0.000 1.055 629 K CA 2.252 58.557 56.287 0.031 0.000 0.951 629 K CB -1.013 31.497 32.500 0.018 0.000 0.725 629 K HN 0.776 nan 8.250 nan 0.000 0.449 630 G N 0.065 108.872 108.800 0.012 0.000 2.553 630 G HA2 -0.378 3.531 3.960 -0.084 0.000 0.218 630 G HA3 -0.378 3.531 3.960 -0.084 0.000 0.218 630 G C 1.565 176.475 174.900 0.017 0.000 1.195 630 G CA 2.212 47.316 45.100 0.007 0.000 0.779 630 G HN 0.595 nan 8.290 nan 0.000 0.577 631 T N -0.428 114.139 114.554 0.022 0.000 2.777 631 T HA 0.186 4.486 4.350 -0.084 0.000 0.266 631 T C 2.590 177.304 174.700 0.024 0.000 1.040 631 T CA 1.892 64.006 62.100 0.023 0.000 1.141 631 T CB -0.471 68.411 68.868 0.024 0.000 0.868 631 T HN 0.440 nan 8.240 nan 0.000 0.444 632 A N 2.138 124.975 122.820 0.028 0.000 1.877 632 A HA 0.059 4.329 4.320 -0.084 0.000 0.216 632 A C 2.446 180.057 177.584 0.046 0.000 1.186 632 A CA 1.588 53.642 52.037 0.029 0.000 0.620 632 A CB -0.941 18.081 19.000 0.037 0.000 0.822 632 A HN 0.598 nan 8.150 nan 0.000 0.443 633 I N -0.150 120.460 120.570 0.067 0.000 2.194 633 I HA -0.343 3.777 4.170 -0.084 0.000 0.246 633 I C 2.977 179.171 176.117 0.128 0.000 1.093 633 I CA 1.172 62.552 61.300 0.132 0.000 1.355 633 I CB -0.751 37.280 38.000 0.051 0.000 1.046 633 I HN 0.399 nan 8.210 nan 0.000 0.413 634 A N 1.934 124.790 122.820 0.061 0.000 1.842 634 A HA -0.232 4.038 4.320 -0.084 0.000 0.217 634 A C 2.268 179.874 177.584 0.037 0.000 1.206 634 A CA 2.015 54.078 52.037 0.045 0.000 0.630 634 A CB -1.143 17.872 19.000 0.026 0.000 0.839 634 A HN 0.402 nan 8.150 nan 0.000 0.447 635 I N -0.284 120.294 120.570 0.014 0.000 2.367 635 I HA -0.417 3.703 4.170 -0.084 0.000 0.256 635 I C 2.398 178.492 176.117 -0.038 0.000 1.132 635 I CA 1.385 62.676 61.300 -0.016 0.000 1.397 635 I CB -0.698 37.285 38.000 -0.028 0.000 1.074 635 I HN 0.423 nan 8.210 nan 0.000 0.435 636 C N 0.177 119.466 119.300 -0.019 0.000 2.457 636 C HA -0.045 4.365 4.460 -0.084 0.000 0.278 636 C C 2.821 177.805 174.990 -0.010 0.000 1.309 636 C CA 0.441 59.404 59.018 -0.092 0.000 1.735 636 C CB -1.069 26.562 27.740 -0.181 0.000 1.992 636 C HN 0.431 nan 8.230 nan 0.000 0.493 637 R N 0.326 120.886 120.500 0.100 0.000 2.193 637 R HA -0.017 4.272 4.340 -0.084 0.000 0.213 637 R C 2.412 178.729 176.300 0.028 0.000 1.055 637 R CA 0.453 56.612 56.100 0.098 0.000 0.995 637 R CB -0.252 30.105 30.300 0.094 0.000 0.893 637 R HN 0.532 nan 8.270 nan 0.000 0.459 638 R N 1.586 122.088 120.500 0.004 0.000 2.073 638 R HA -0.057 4.233 4.340 -0.084 0.000 0.229 638 R C 2.196 178.475 176.300 -0.034 0.000 1.120 638 R CA 1.361 57.451 56.100 -0.017 0.000 0.967 638 R CB -0.053 30.233 30.300 -0.023 0.000 0.862 638 R HN 0.286 nan 8.270 nan 0.000 0.436 639 I N -4.140 116.396 120.570 -0.056 0.000 3.030 639 I HA 0.312 4.432 4.170 -0.084 0.000 0.270 639 I C 1.170 177.245 176.117 -0.070 0.000 1.211 639 I CA 1.121 62.375 61.300 -0.076 0.000 1.479 639 I CB 0.590 38.514 38.000 -0.127 0.000 1.105 639 I HN 0.356 nan 8.210 nan 0.000 0.447 640 G N 1.751 110.513 108.800 -0.063 0.000 2.336 640 G HA2 -0.212 3.698 3.960 -0.084 0.000 0.194 640 G HA3 -0.212 3.698 3.960 -0.084 0.000 0.194 640 G C 0.798 175.652 174.900 -0.077 0.000 0.999 640 G CA 0.177 45.251 45.100 -0.045 0.000 0.669 640 G HN 0.367 nan 8.290 nan 0.000 0.482 641 I N 0.204 120.660 120.570 -0.189 0.000 2.399 641 I HA 0.032 4.152 4.170 -0.084 0.000 0.254 641 I C 0.809 176.723 176.117 -0.338 0.000 1.146 641 I CA 1.371 62.458 61.300 -0.355 0.000 1.412 641 I CB -0.161 37.476 38.000 -0.604 0.000 1.076 641 I HN 0.201 nan 8.210 nan 0.000 0.432 642 F N -0.532 119.388 119.950 -0.050 0.000 2.556 642 F HA 0.486 4.962 4.527 -0.083 0.000 0.314 642 F C 0.829 176.606 175.800 -0.040 0.000 1.106 642 F CA -1.226 56.746 58.000 -0.047 0.000 0.911 642 F CB 1.471 40.437 39.000 -0.056 0.000 1.190 642 F HN -0.226 nan 8.300 nan 0.000 0.448 643 G N 1.199 110.104 108.800 0.176 0.000 2.544 643 G HA2 0.111 4.021 3.960 -0.084 0.000 0.242 643 G HA3 0.111 4.021 3.960 -0.084 0.000 0.242 643 G C 0.801 175.734 174.900 0.055 0.000 1.247 643 G CA -0.341 44.805 45.100 0.076 0.000 0.840 643 G HN 0.918 nan 8.290 nan 0.000 0.578 644 E N 0.111 120.329 120.200 0.029 0.000 2.171 644 E HA -0.212 4.088 4.350 -0.084 0.000 0.197 644 E C 0.779 177.378 176.600 -0.003 0.000 0.997 644 E CA 1.473 57.882 56.400 0.016 0.000 0.810 644 E CB -0.194 29.510 29.700 0.007 0.000 0.738 644 E HN 0.641 nan 8.360 nan 0.000 0.467 645 N N 0.659 119.351 118.700 -0.013 0.000 2.571 645 N HA 0.077 4.766 4.740 -0.084 0.000 0.298 645 N C -1.012 174.468 175.510 -0.050 0.000 1.671 645 N CA -0.238 52.792 53.050 -0.034 0.000 0.900 645 N CB 0.735 39.206 38.487 -0.027 0.000 1.365 645 N HN 0.147 nan 8.380 nan 0.000 0.493 646 E N 2.001 122.163 120.200 -0.064 0.000 2.216 646 E HA 0.038 4.338 4.350 -0.084 0.000 0.279 646 E C -0.318 176.176 176.600 -0.177 0.000 0.997 646 E CA -0.535 55.811 56.400 -0.089 0.000 0.817 646 E CB 1.016 30.687 29.700 -0.047 0.000 1.096 646 E HN 0.219 nan 8.360 nan 0.000 0.393 647 E N 3.827 123.928 120.200 -0.165 0.000 2.257 647 E HA 0.079 4.379 4.350 -0.084 0.000 0.278 647 E C 0.244 176.662 176.600 -0.304 0.000 1.049 647 E CA -0.392 55.886 56.400 -0.202 0.000 0.876 647 E CB 1.267 30.885 29.700 -0.136 0.000 1.035 647 E HN 0.316 nan 8.360 nan 0.000 0.419 648 V N -0.622 119.038 119.914 -0.423 0.000 2.872 648 V HA 0.488 4.558 4.120 -0.084 0.000 0.367 648 V C 1.076 176.920 176.094 -0.416 0.000 1.343 648 V CA 0.019 61.968 62.300 -0.585 0.000 1.219 648 V CB 0.240 31.239 31.823 -1.373 0.000 1.308 648 V HN 0.608 nan 8.190 nan 0.000 0.610 649 A N 1.427 124.077 122.820 -0.283 0.000 2.248 649 A HA 0.026 4.296 4.320 -0.084 0.000 0.210 649 A C 1.408 178.840 177.584 -0.254 0.000 1.174 649 A CA 1.529 53.426 52.037 -0.233 0.000 0.750 649 A CB -0.306 18.597 19.000 -0.161 0.000 0.780 649 A HN 0.891 nan 8.150 nan 0.000 0.478 650 D N -2.590 117.658 120.400 -0.254 0.000 2.538 650 D HA 0.094 4.683 4.640 -0.084 0.000 0.241 650 D C 0.586 176.775 176.300 -0.185 0.000 1.297 650 D CA -0.188 53.676 54.000 -0.226 0.000 0.804 650 D CB -0.285 40.481 40.800 -0.057 0.000 1.122 650 D HN 0.345 nan 8.370 nan 0.000 0.519 651 R N 0.570 120.941 120.500 -0.215 0.000 2.700 651 R HA 0.629 4.919 4.340 -0.084 0.000 0.399 651 R C -0.411 175.881 176.300 -0.014 0.000 1.115 651 R CA -0.082 56.016 56.100 -0.004 0.000 1.058 651 R CB 1.642 32.018 30.300 0.127 0.000 1.389 651 R HN 0.146 nan 8.270 nan 0.000 0.582 652 A N 0.212 122.808 122.820 -0.372 0.000 2.517 652 A HA 0.716 4.985 4.320 -0.084 0.000 0.297 652 A C -1.675 175.563 177.584 -0.576 0.000 1.050 652 A CA -0.564 51.310 52.037 -0.271 0.000 0.694 652 A CB 1.095 20.027 19.000 -0.112 0.000 1.277 652 A HN 0.199 nan 8.150 nan 0.000 0.400 653 Y N -0.400 119.839 120.300 -0.102 0.000 2.625 653 Y HA 0.687 5.187 4.550 -0.084 0.000 0.338 653 Y C 0.587 176.588 175.900 0.168 0.000 1.123 653 Y CA -0.116 58.029 58.100 0.074 0.000 1.046 653 Y CB 2.477 41.068 38.460 0.218 0.000 1.299 653 Y HN 0.874 nan 8.280 nan 0.000 0.464 654 T N -2.451 112.322 114.554 0.366 0.000 2.932 654 T HA 0.508 4.808 4.350 -0.084 0.000 0.289 654 T C 1.073 175.978 174.700 0.342 0.000 1.039 654 T CA -0.183 62.094 62.100 0.294 0.000 1.024 654 T CB 1.554 70.536 68.868 0.190 0.000 1.090 654 T HN 0.856 nan 8.240 nan 0.000 0.496 655 G N 1.198 110.189 108.800 0.319 0.000 2.681 655 G HA2 -0.340 3.570 3.960 -0.084 0.000 0.220 655 G HA3 -0.340 3.570 3.960 -0.084 0.000 0.220 655 G C 1.440 176.538 174.900 0.330 0.000 1.210 655 G CA 1.303 46.645 45.100 0.402 0.000 0.783 655 G HN 0.913 nan 8.290 nan 0.000 0.609 656 R N 0.616 121.271 120.500 0.260 0.000 2.103 656 R HA -0.123 4.166 4.340 -0.084 0.000 0.242 656 R C 2.645 179.052 176.300 0.179 0.000 1.142 656 R CA 1.972 58.189 56.100 0.194 0.000 0.960 656 R CB -0.318 30.067 30.300 0.142 0.000 0.858 656 R HN 0.602 nan 8.270 nan 0.000 0.439 657 E N -0.621 119.705 120.200 0.211 0.000 2.085 657 E HA -0.244 4.056 4.350 -0.084 0.000 0.194 657 E C 1.808 178.527 176.600 0.197 0.000 0.994 657 E CA 1.494 58.019 56.400 0.208 0.000 0.801 657 E CB -0.265 29.604 29.700 0.282 0.000 0.743 657 E HN 0.335 nan 8.360 nan 0.000 0.453 658 F N 2.229 122.236 119.950 0.096 0.000 2.075 658 F HA -0.209 4.268 4.527 -0.084 0.000 0.297 658 F C 1.823 177.581 175.800 -0.070 0.000 1.113 658 F CA 1.721 59.703 58.000 -0.030 0.000 1.218 658 F CB 0.021 38.958 39.000 -0.105 0.000 0.984 658 F HN -0.107 nan 8.300 nan 0.000 0.472 659 D N -0.136 120.318 120.400 0.089 0.000 2.221 659 D HA -0.196 4.394 4.640 -0.084 0.000 0.204 659 D C 1.668 177.955 176.300 -0.023 0.000 0.982 659 D CA 1.438 55.459 54.000 0.036 0.000 0.857 659 D CB -0.577 40.304 40.800 0.134 0.000 0.934 659 D HN 0.373 nan 8.370 nan 0.000 0.475 660 D N -0.793 119.602 120.400 -0.008 0.000 2.269 660 D HA -0.020 4.570 4.640 -0.084 0.000 0.208 660 D C 0.339 176.598 176.300 -0.068 0.000 0.963 660 D CA 0.227 54.218 54.000 -0.014 0.000 0.864 660 D CB 0.215 41.031 40.800 0.026 0.000 0.936 660 D HN 0.079 nan 8.370 nan 0.000 0.505 661 L N 1.089 122.218 121.223 -0.156 0.000 2.466 661 L HA 0.333 4.623 4.340 -0.084 0.000 0.257 661 L C -1.895 174.854 176.870 -0.202 0.000 1.189 661 L CA -1.606 53.114 54.840 -0.199 0.000 0.813 661 L CB 0.326 42.183 42.059 -0.335 0.000 1.118 661 L HN -0.038 nan 8.230 nan 0.000 0.471 662 P HA 0.141 nan 4.420 nan 0.000 0.286 662 P C 0.484 177.693 177.300 -0.153 0.000 1.261 662 P CA -0.634 62.394 63.100 -0.119 0.000 0.821 662 P CB 1.528 33.181 31.700 -0.077 0.000 1.013 663 L N 3.076 124.245 121.223 -0.089 0.000 2.119 663 L HA -0.311 3.979 4.340 -0.084 0.000 0.226 663 L C 2.650 179.452 176.870 -0.112 0.000 1.093 663 L CA 2.982 57.799 54.840 -0.038 0.000 0.806 663 L CB -2.117 39.974 42.059 0.054 0.000 0.902 663 L HN 0.531 nan 8.230 nan 0.000 0.444 664 A N -1.763 121.004 122.820 -0.087 0.000 2.015 664 A HA -0.171 4.099 4.320 -0.084 0.000 0.219 664 A C 2.185 179.682 177.584 -0.145 0.000 1.163 664 A CA 1.522 53.507 52.037 -0.087 0.000 0.646 664 A CB -0.393 18.580 19.000 -0.045 0.000 0.806 664 A HN 0.578 nan 8.150 nan 0.000 0.448 665 E N -0.776 119.312 120.200 -0.186 0.000 2.299 665 E HA -0.105 4.195 4.350 -0.084 0.000 0.193 665 E C 2.098 178.477 176.600 -0.369 0.000 0.998 665 E CA 0.539 56.813 56.400 -0.209 0.000 0.851 665 E CB -0.036 29.563 29.700 -0.169 0.000 0.795 665 E HN 0.726 nan 8.360 nan 0.000 0.492 666 Q N 0.495 119.962 119.800 -0.554 0.000 2.049 666 Q HA -0.085 4.205 4.340 -0.084 0.000 0.198 666 Q C 2.263 177.721 176.000 -0.904 0.000 0.971 666 Q CA 0.817 56.075 55.803 -0.909 0.000 0.833 666 Q CB -0.035 28.114 28.738 -0.980 0.000 0.896 666 Q HN 0.074 nan 8.270 nan 0.000 0.434 667 R N 0.811 120.662 120.500 -1.081 0.000 2.091 667 R HA -0.221 4.069 4.340 -0.084 0.000 0.238 667 R C 2.004 178.245 176.300 -0.098 0.000 1.136 667 R CA 1.718 57.365 56.100 -0.755 0.000 0.959 667 R CB 0.003 30.160 30.300 -0.238 0.000 0.856 667 R HN 0.108 nan 8.270 nan 0.000 0.437 668 E N 0.537 120.683 120.200 -0.091 0.000 2.072 668 E HA -0.111 4.189 4.350 -0.084 0.000 0.191 668 E C 1.715 178.305 176.600 -0.017 0.000 0.985 668 E CA 1.687 58.094 56.400 0.011 0.000 0.801 668 E CB -0.312 29.377 29.700 -0.018 0.000 0.750 668 E HN 0.404 nan 8.360 nan 0.000 0.452 669 A N 0.190 122.950 122.820 -0.100 0.000 1.884 669 A HA -0.295 3.975 4.320 -0.084 0.000 0.219 669 A C 2.618 180.246 177.584 0.073 0.000 1.197 669 A CA 1.952 53.919 52.037 -0.118 0.000 0.637 669 A CB -1.286 17.469 19.000 -0.407 0.000 0.827 669 A HN 0.532 nan 8.150 nan 0.000 0.450 670 C N -0.384 119.013 119.300 0.162 0.000 2.422 670 C HA -0.069 4.341 4.460 -0.084 0.000 0.279 670 C C 2.685 177.770 174.990 0.158 0.000 1.305 670 C CA 1.024 60.199 59.018 0.261 0.000 1.757 670 C CB -1.453 26.488 27.740 0.335 0.000 1.962 670 C HN 0.795 nan 8.230 nan 0.000 0.499 671 R N 1.889 122.410 120.500 0.034 0.000 2.316 671 R HA -0.048 4.242 4.340 -0.084 0.000 0.202 671 R C 1.874 178.105 176.300 -0.116 0.000 1.029 671 R CA 1.341 57.307 56.100 -0.222 0.000 1.018 671 R CB -0.415 29.355 30.300 -0.884 0.000 0.888 671 R HN 0.732 nan 8.270 nan 0.000 0.471 672 R N -0.172 120.322 120.500 -0.010 0.000 2.412 672 R HA 0.369 4.659 4.340 -0.084 0.000 0.212 672 R C 0.500 176.848 176.300 0.080 0.000 0.878 672 R CA 0.208 56.323 56.100 0.025 0.000 1.022 672 R CB 0.032 30.350 30.300 0.029 0.000 1.265 672 R HN 0.071 nan 8.270 nan 0.000 0.620 673 A N 0.761 123.650 122.820 0.114 0.000 2.614 673 A HA 0.077 4.347 4.320 -0.084 0.000 0.231 673 A C 0.594 178.174 177.584 -0.007 0.000 1.076 673 A CA 0.684 52.753 52.037 0.053 0.000 0.767 673 A CB 0.102 19.028 19.000 -0.122 0.000 1.012 673 A HN 0.603 nan 8.150 nan 0.000 0.512 674 C N -1.131 118.116 119.300 -0.089 0.000 4.260 674 C HA 0.388 4.798 4.460 -0.084 0.000 0.363 674 C C 0.120 174.956 174.990 -0.257 0.000 1.765 674 C CA 0.231 59.157 59.018 -0.154 0.000 1.877 674 C CB -0.919 26.681 27.740 -0.232 0.000 3.089 674 C HN 1.095 nan 8.230 nan 0.000 0.652 675 C N 1.186 120.323 119.300 -0.272 0.000 2.931 675 C HA 0.740 5.150 4.460 -0.084 0.000 0.370 675 C C -1.988 172.808 174.990 -0.324 0.000 1.071 675 C CA -0.501 58.396 59.018 -0.201 0.000 1.266 675 C CB -0.142 27.555 27.740 -0.070 0.000 1.691 675 C HN 0.384 nan 8.230 nan 0.000 0.511 676 F N 4.145 124.130 119.950 0.058 0.000 2.547 676 F HA 0.747 5.224 4.527 -0.084 0.000 0.316 676 F C 0.456 176.288 175.800 0.053 0.000 1.121 676 F CA -0.122 57.920 58.000 0.070 0.000 0.911 676 F CB 2.144 41.148 39.000 0.005 0.000 1.179 676 F HN 0.936 nan 8.300 nan 0.000 0.443 677 A N 2.899 125.871 122.820 0.254 0.000 2.374 677 A HA 0.800 5.070 4.320 -0.084 0.000 0.317 677 A C -0.327 177.358 177.584 0.168 0.000 1.094 677 A CA -0.936 51.198 52.037 0.162 0.000 0.765 677 A CB 1.076 20.143 19.000 0.112 0.000 1.268 677 A HN 0.809 nan 8.150 nan 0.000 0.438 678 R N -0.125 120.447 120.500 0.119 0.000 3.059 678 R HA -0.127 4.163 4.340 -0.084 0.000 0.251 678 R C -0.906 175.476 176.300 0.136 0.000 0.886 678 R CA 0.439 56.601 56.100 0.103 0.000 0.634 678 R CB -2.320 28.040 30.300 0.101 0.000 1.282 678 R HN 0.518 nan 8.270 nan 0.000 0.487 679 V N 2.361 122.336 119.914 0.103 0.000 2.472 679 V HA 0.179 4.248 4.120 -0.084 0.000 0.290 679 V C 0.883 176.878 176.094 -0.164 0.000 1.037 679 V CA -0.647 61.715 62.300 0.104 0.000 0.908 679 V CB 2.043 33.922 31.823 0.092 0.000 0.985 679 V HN 0.198 nan 8.190 nan 0.000 0.454 680 E N 6.762 126.579 120.200 -0.638 0.000 2.373 680 E HA 0.149 4.449 4.350 -0.084 0.000 0.267 680 E C -1.435 174.880 176.600 -0.476 0.000 1.032 680 E CA -1.969 54.067 56.400 -0.606 0.000 0.889 680 E CB 0.812 30.046 29.700 -0.777 0.000 0.984 680 E HN 0.401 nan 8.360 nan 0.000 0.425 681 P HA -0.241 nan 4.420 nan 0.000 0.218 681 P C 1.012 178.233 177.300 -0.130 0.000 1.150 681 P CA 1.643 64.656 63.100 -0.144 0.000 0.841 681 P CB 0.236 31.879 31.700 -0.095 0.000 0.784 682 S N -2.104 113.506 115.700 -0.150 0.000 2.561 682 S HA -0.082 4.338 4.470 -0.084 0.000 0.225 682 S C 1.717 176.335 174.600 0.029 0.000 0.977 682 S CA 0.104 58.271 58.200 -0.055 0.000 0.926 682 S CB -1.516 61.676 63.200 -0.014 0.000 0.769 682 S HN 0.367 nan 8.310 nan 0.000 0.533 683 H N 0.934 119.946 119.070 -0.097 0.000 2.436 683 H HA 0.158 4.664 4.556 -0.084 0.000 0.294 683 H C 2.177 177.354 175.328 -0.252 0.000 1.048 683 H CA 0.830 56.767 56.048 -0.185 0.000 1.353 683 H CB 0.090 29.686 29.762 -0.277 0.000 1.414 683 H HN 0.358 nan 8.280 nan 0.000 0.536 684 K N 0.473 120.823 120.400 -0.082 0.000 2.001 684 K HA -0.177 4.093 4.320 -0.084 0.000 0.214 684 K C 2.560 179.103 176.600 -0.096 0.000 1.050 684 K CA 1.495 57.710 56.287 -0.119 0.000 0.934 684 K CB -0.249 32.205 32.500 -0.078 0.000 0.718 684 K HN 0.036 nan 8.250 nan 0.000 0.443 685 S N 0.728 116.390 115.700 -0.063 0.000 2.374 685 S HA -0.187 4.233 4.470 -0.084 0.000 0.227 685 S C 1.871 176.425 174.600 -0.077 0.000 1.037 685 S CA 1.548 59.713 58.200 -0.058 0.000 1.024 685 S CB -0.056 63.117 63.200 -0.046 0.000 0.861 685 S HN 0.206 nan 8.310 nan 0.000 0.456 686 K N 0.295 120.657 120.400 -0.063 0.000 2.032 686 K HA -0.027 4.243 4.320 -0.084 0.000 0.209 686 K C 2.007 178.574 176.600 -0.055 0.000 1.048 686 K CA 1.678 57.920 56.287 -0.075 0.000 0.927 686 K CB -0.284 32.252 32.500 0.060 0.000 0.712 686 K HN 0.419 nan 8.250 nan 0.000 0.441 687 I N 0.415 120.936 120.570 -0.082 0.000 2.163 687 I HA -0.298 3.822 4.170 -0.084 0.000 0.243 687 I C 2.125 178.262 176.117 0.033 0.000 1.085 687 I CA 1.115 62.369 61.300 -0.077 0.000 1.347 687 I CB -0.259 37.524 38.000 -0.361 0.000 1.044 687 I HN -0.006 nan 8.210 nan 0.000 0.408 688 V N 0.749 120.648 119.914 -0.024 0.000 2.407 688 V HA -0.272 3.798 4.120 -0.084 0.000 0.248 688 V C 2.505 178.596 176.094 -0.005 0.000 1.055 688 V CA 2.104 64.405 62.300 0.001 0.000 1.049 688 V CB -0.633 31.178 31.823 -0.021 0.000 0.662 688 V HN 0.439 nan 8.190 nan 0.000 0.455 689 E N 0.114 120.265 120.200 -0.082 0.000 2.058 689 E HA -0.248 4.052 4.350 -0.084 0.000 0.194 689 E C 1.999 178.526 176.600 -0.121 0.000 0.997 689 E CA 1.950 58.254 56.400 -0.161 0.000 0.801 689 E CB -0.450 29.059 29.700 -0.319 0.000 0.746 689 E HN 0.658 nan 8.360 nan 0.000 0.450 690 Y N 0.135 120.456 120.300 0.034 0.000 2.352 690 Y HA -0.014 4.486 4.550 -0.084 0.000 0.292 690 Y C 2.111 178.080 175.900 0.114 0.000 1.136 690 Y CA 0.843 58.980 58.100 0.061 0.000 1.227 690 Y CB -0.216 38.328 38.460 0.139 0.000 0.991 690 Y HN 0.091 nan 8.280 nan 0.000 0.545 691 L N -0.709 120.667 121.223 0.255 0.000 2.072 691 L HA -0.229 4.061 4.340 -0.084 0.000 0.205 691 L C 2.263 179.235 176.870 0.169 0.000 1.079 691 L CA 1.271 56.253 54.840 0.236 0.000 0.752 691 L CB -0.426 41.728 42.059 0.159 0.000 0.906 691 L HN 0.218 nan 8.230 nan 0.000 0.436 692 Q N -0.510 119.340 119.800 0.082 0.000 2.170 692 Q HA -0.183 4.106 4.340 -0.084 0.000 0.203 692 Q C 2.336 178.343 176.000 0.011 0.000 0.976 692 Q CA 1.738 57.564 55.803 0.037 0.000 0.858 692 Q CB -0.136 28.601 28.738 -0.002 0.000 0.907 692 Q HN 0.585 nan 8.270 nan 0.000 0.433 693 S N -0.318 115.363 115.700 -0.033 0.000 2.440 693 S HA -0.172 4.247 4.470 -0.084 0.000 0.238 693 S C 0.993 175.446 174.600 -0.246 0.000 1.010 693 S CA 0.893 58.996 58.200 -0.162 0.000 0.972 693 S CB -0.252 62.803 63.200 -0.242 0.000 0.774 693 S HN 0.388 nan 8.310 nan 0.000 0.501 694 Y N 2.065 122.401 120.300 0.060 0.000 2.683 694 Y HA 0.308 4.808 4.550 -0.084 0.000 0.297 694 Y C 0.009 175.928 175.900 0.032 0.000 1.147 694 Y CA -1.229 56.899 58.100 0.046 0.000 1.274 694 Y CB -0.505 37.986 38.460 0.052 0.000 1.143 694 Y HN 0.122 nan 8.280 nan 0.000 0.527 695 D N 1.375 121.841 120.400 0.109 0.000 2.697 695 D HA -0.254 4.336 4.640 -0.084 0.000 0.235 695 D C -0.176 176.172 176.300 0.080 0.000 1.167 695 D CA 0.915 54.957 54.000 0.071 0.000 0.656 695 D CB -0.638 40.195 40.800 0.055 0.000 1.025 695 D HN 0.513 nan 8.370 nan 0.000 0.419 696 E N 0.137 120.393 120.200 0.093 0.000 2.158 696 E HA 0.315 4.614 4.350 -0.084 0.000 0.271 696 E C 0.244 176.875 176.600 0.052 0.000 0.911 696 E CA -0.808 55.639 56.400 0.078 0.000 0.767 696 E CB 0.914 30.679 29.700 0.109 0.000 1.120 696 E HN 0.047 nan 8.360 nan 0.000 0.405 697 I N 4.035 124.624 120.570 0.031 0.000 2.471 697 I HA 0.131 4.251 4.170 -0.084 0.000 0.286 697 I C -0.045 176.086 176.117 0.023 0.000 1.079 697 I CA 0.210 61.521 61.300 0.018 0.000 1.398 697 I CB 0.407 38.408 38.000 0.002 0.000 1.403 697 I HN 0.494 nan 8.210 nan 0.000 0.530 698 T N 5.029 119.597 114.554 0.023 0.000 2.848 698 T HA 0.656 4.956 4.350 -0.084 0.000 0.285 698 T C -0.064 174.648 174.700 0.020 0.000 0.995 698 T CA -0.676 61.441 62.100 0.029 0.000 0.970 698 T CB 2.044 70.937 68.868 0.041 0.000 0.976 698 T HN 0.670 nan 8.240 nan 0.000 0.441 699 A N 3.425 126.258 122.820 0.023 0.000 2.249 699 A HA 0.750 5.019 4.320 -0.084 0.000 0.314 699 A C -0.353 177.250 177.584 0.031 0.000 1.290 699 A CA -0.698 51.350 52.037 0.017 0.000 0.893 699 A CB 0.305 19.309 19.000 0.007 0.000 1.165 699 A HN 0.799 nan 8.150 nan 0.000 0.530 700 M N 3.630 123.243 119.600 0.023 0.000 2.227 700 M HA 0.454 4.884 4.480 -0.084 0.000 0.335 700 M C 0.299 176.614 176.300 0.024 0.000 1.053 700 M CA -0.044 55.272 55.300 0.026 0.000 0.973 700 M CB 1.581 34.187 32.600 0.010 0.000 1.623 700 M HN 0.695 nan 8.290 nan 0.000 0.434 701 T N 1.871 116.447 114.554 0.037 0.000 2.909 701 T HA 0.888 5.187 4.350 -0.084 0.000 0.289 701 T C 0.197 174.908 174.700 0.018 0.000 1.005 701 T CA -0.332 61.788 62.100 0.034 0.000 1.084 701 T CB 1.152 70.054 68.868 0.056 0.000 0.975 701 T HN 0.864 nan 8.240 nan 0.000 0.509 702 G N 0.553 109.360 108.800 0.012 0.000 2.788 702 G HA2 0.604 4.514 3.960 -0.084 0.000 0.293 702 G HA3 0.604 4.514 3.960 -0.084 0.000 0.293 702 G C -0.850 174.053 174.900 0.004 0.000 1.392 702 G CA -0.402 44.700 45.100 0.003 0.000 0.810 702 G HN 0.926 nan 8.290 nan 0.000 0.508 703 D N -2.910 117.489 120.400 -0.001 0.000 2.656 703 D HA 0.329 4.919 4.640 -0.084 0.000 0.384 703 D C 0.394 176.692 176.300 -0.004 0.000 1.347 703 D CA 0.688 54.688 54.000 -0.001 0.000 0.970 703 D CB -0.004 40.797 40.800 0.002 0.000 1.549 703 D HN 0.964 nan 8.370 nan 0.000 0.401 704 G N -0.495 108.300 108.800 -0.007 0.000 2.690 704 G HA2 0.392 4.302 3.960 -0.084 0.000 0.291 704 G HA3 0.392 4.302 3.960 -0.084 0.000 0.291 704 G C 0.478 175.372 174.900 -0.011 0.000 1.403 704 G CA -0.286 44.809 45.100 -0.009 0.000 0.864 704 G HN 0.333 nan 8.290 nan 0.000 0.480 705 V N 0.615 120.522 119.914 -0.011 0.000 2.453 705 V HA -0.239 3.831 4.120 -0.084 0.000 0.252 705 V C 2.101 178.186 176.094 -0.016 0.000 1.068 705 V CA 2.953 65.245 62.300 -0.012 0.000 1.070 705 V CB -0.896 30.920 31.823 -0.012 0.000 0.664 705 V HN 0.817 nan 8.190 nan 0.000 0.461 706 N N -0.311 118.378 118.700 -0.018 0.000 2.184 706 N HA -0.197 4.493 4.740 -0.084 0.000 0.190 706 N C 1.031 176.525 175.510 -0.027 0.000 1.011 706 N CA 1.692 54.727 53.050 -0.025 0.000 0.867 706 N CB -0.047 38.424 38.487 -0.026 0.000 0.993 706 N HN 0.670 nan 8.380 nan 0.000 0.433 707 D N -0.416 119.971 120.400 -0.022 0.000 2.379 707 D HA 0.106 4.695 4.640 -0.084 0.000 0.208 707 D C 1.684 177.973 176.300 -0.019 0.000 1.065 707 D CA 0.096 54.083 54.000 -0.022 0.000 0.848 707 D CB -0.131 40.659 40.800 -0.017 0.000 0.949 707 D HN 0.213 nan 8.370 nan 0.000 0.509 708 A N 2.353 125.164 122.820 -0.016 0.000 1.909 708 A HA -0.217 4.053 4.320 -0.084 0.000 0.221 708 A C -0.204 177.370 177.584 -0.016 0.000 1.223 708 A CA 1.879 53.908 52.037 -0.014 0.000 0.658 708 A CB -1.651 17.341 19.000 -0.013 0.000 0.831 708 A HN 0.212 nan 8.150 nan 0.000 0.462 709 P HA -0.078 nan 4.420 nan 0.000 0.213 709 P C 1.888 179.174 177.300 -0.024 0.000 1.170 709 P CA 1.966 65.053 63.100 -0.022 0.000 0.893 709 P CB -0.244 31.442 31.700 -0.025 0.000 0.784 710 A N -0.571 122.233 122.820 -0.027 0.000 1.917 710 A HA -0.217 4.053 4.320 -0.084 0.000 0.219 710 A C 2.288 179.860 177.584 -0.020 0.000 1.182 710 A CA 1.700 53.720 52.037 -0.028 0.000 0.633 710 A CB -1.810 17.170 19.000 -0.033 0.000 0.819 710 A HN 0.097 nan 8.150 nan 0.000 0.448 711 L N -1.014 120.199 121.223 -0.016 0.000 2.012 711 L HA -0.236 4.054 4.340 -0.084 0.000 0.210 711 L C 2.701 179.565 176.870 -0.010 0.000 1.073 711 L CA 1.965 56.799 54.840 -0.010 0.000 0.748 711 L CB -0.389 41.666 42.059 -0.008 0.000 0.891 711 L HN 0.387 nan 8.230 nan 0.000 0.431 712 K N -0.041 120.352 120.400 -0.012 0.000 2.002 712 K HA -0.251 4.018 4.320 -0.084 0.000 0.209 712 K C 2.169 178.761 176.600 -0.014 0.000 1.048 712 K CA 1.568 57.848 56.287 -0.013 0.000 0.930 712 K CB -0.129 32.363 32.500 -0.014 0.000 0.714 712 K HN 0.109 nan 8.250 nan 0.000 0.438 713 K N 0.981 121.370 120.400 -0.019 0.000 2.103 713 K HA -0.088 4.182 4.320 -0.084 0.000 0.207 713 K C 0.466 177.057 176.600 -0.016 0.000 1.048 713 K CA 0.823 57.097 56.287 -0.021 0.000 0.930 713 K CB -0.101 32.382 32.500 -0.030 0.000 0.716 713 K HN 0.155 nan 8.250 nan 0.000 0.444 714 A N 1.201 124.013 122.820 -0.012 0.000 2.492 714 A HA -0.023 4.247 4.320 -0.084 0.000 0.236 714 A C 0.707 178.289 177.584 -0.004 0.000 1.078 714 A CA -0.088 51.946 52.037 -0.005 0.000 0.773 714 A CB 0.261 19.260 19.000 -0.001 0.000 1.023 714 A HN 0.375 nan 8.150 nan 0.000 0.504 715 E N 0.120 120.320 120.200 0.001 0.000 2.051 715 E HA -0.068 4.232 4.350 -0.084 0.000 0.192 715 E C 0.057 176.654 176.600 -0.004 0.000 0.991 715 E CA 1.515 57.914 56.400 -0.001 0.000 0.799 715 E CB -0.137 29.564 29.700 0.001 0.000 0.748 715 E HN 0.617 nan 8.360 nan 0.000 0.449 716 I N 0.208 120.777 120.570 -0.003 0.000 2.439 716 I HA 0.373 4.493 4.170 -0.084 0.000 0.285 716 I C 0.238 176.354 176.117 -0.002 0.000 1.021 716 I CA -0.994 60.303 61.300 -0.005 0.000 1.091 716 I CB 2.026 40.021 38.000 -0.008 0.000 1.242 716 I HN -0.070 nan 8.210 nan 0.000 0.439 717 G N 7.019 115.817 108.800 -0.003 0.000 2.372 717 G HA2 0.719 4.628 3.960 -0.084 0.000 0.283 717 G HA3 0.719 4.628 3.960 -0.084 0.000 0.283 717 G C -0.590 174.310 174.900 -0.000 0.000 1.177 717 G CA -0.366 44.733 45.100 -0.001 0.000 0.842 717 G HN 0.547 nan 8.290 nan 0.000 0.503 718 I N 1.777 122.349 120.570 0.004 0.000 2.439 718 I HA 0.423 4.543 4.170 -0.084 0.000 0.283 718 I C 0.340 176.461 176.117 0.008 0.000 1.023 718 I CA -0.737 60.566 61.300 0.004 0.000 1.100 718 I CB 1.907 39.909 38.000 0.005 0.000 1.238 718 I HN 0.556 nan 8.210 nan 0.000 0.445 719 A N 7.560 130.384 122.820 0.006 0.000 2.306 719 A HA 0.780 5.050 4.320 -0.084 0.000 0.314 719 A C -0.052 177.536 177.584 0.008 0.000 1.164 719 A CA -0.633 51.408 52.037 0.007 0.000 0.822 719 A CB 0.845 19.848 19.000 0.005 0.000 1.130 719 A HN 0.599 nan 8.150 nan 0.000 0.496 720 M N 2.287 121.892 119.600 0.008 0.000 2.219 720 M HA 0.145 4.575 4.480 -0.084 0.000 0.353 720 M C 1.579 177.881 176.300 0.003 0.000 1.304 720 M CA -0.109 55.196 55.300 0.008 0.000 1.115 720 M CB 0.350 32.955 32.600 0.008 0.000 1.664 720 M HN 0.904 nan 8.290 nan 0.000 0.459 721 G N 1.607 110.409 108.800 0.002 0.000 2.470 721 G HA2 -0.155 3.755 3.960 -0.084 0.000 0.220 721 G HA3 -0.155 3.755 3.960 -0.084 0.000 0.220 721 G C 1.201 176.098 174.900 -0.005 0.000 1.121 721 G CA 1.071 46.170 45.100 -0.002 0.000 0.766 721 G HN 0.762 nan 8.290 nan 0.000 0.553 722 S N -0.088 115.610 115.700 -0.004 0.000 2.575 722 S HA 0.389 4.809 4.470 -0.084 0.000 0.215 722 S C 1.430 176.027 174.600 -0.005 0.000 0.966 722 S CA 0.157 58.353 58.200 -0.006 0.000 0.911 722 S CB 0.323 63.520 63.200 -0.005 0.000 0.780 722 S HN 0.452 nan 8.310 nan 0.000 0.514 723 G N 1.935 110.733 108.800 -0.003 0.000 2.525 723 G HA2 0.424 4.334 3.960 -0.084 0.000 0.276 723 G HA3 0.424 4.334 3.960 -0.084 0.000 0.276 723 G C 0.024 174.921 174.900 -0.005 0.000 1.388 723 G CA -0.111 44.987 45.100 -0.003 0.000 1.050 723 G HN 0.440 nan 8.290 nan 0.000 0.520 724 T N -2.263 112.288 114.554 -0.005 0.000 2.913 724 T HA 0.487 4.787 4.350 -0.084 0.000 0.287 724 T C 1.534 176.230 174.700 -0.006 0.000 1.008 724 T CA 0.126 62.222 62.100 -0.006 0.000 1.067 724 T CB 1.615 70.479 68.868 -0.006 0.000 0.996 724 T HN 0.768 nan 8.240 nan 0.000 0.513 725 A N 1.479 124.295 122.820 -0.007 0.000 1.940 725 A HA -0.042 4.228 4.320 -0.084 0.000 0.219 725 A C 2.356 179.938 177.584 -0.004 0.000 1.176 725 A CA 1.630 53.664 52.037 -0.006 0.000 0.631 725 A CB -1.160 17.836 19.000 -0.008 0.000 0.814 725 A HN 0.828 nan 8.150 nan 0.000 0.446 726 V N -0.069 119.842 119.914 -0.004 0.000 2.255 726 V HA -0.216 3.854 4.120 -0.084 0.000 0.247 726 V C 2.732 178.824 176.094 -0.003 0.000 1.051 726 V CA 2.644 64.942 62.300 -0.004 0.000 1.018 726 V CB -0.939 30.880 31.823 -0.006 0.000 0.641 726 V HN 0.612 nan 8.190 nan 0.000 0.445 727 A N -0.632 122.186 122.820 -0.004 0.000 1.978 727 A HA -0.232 4.038 4.320 -0.084 0.000 0.220 727 A C 2.232 179.817 177.584 0.000 0.000 1.170 727 A CA 2.063 54.099 52.037 -0.003 0.000 0.636 727 A CB -0.551 18.447 19.000 -0.003 0.000 0.810 727 A HN 0.667 nan 8.150 nan 0.000 0.448 728 K N -0.690 119.711 120.400 0.002 0.000 2.097 728 K HA -0.095 4.175 4.320 -0.084 0.000 0.205 728 K C 2.081 178.687 176.600 0.010 0.000 1.050 728 K CA 1.668 57.959 56.287 0.006 0.000 0.938 728 K CB -0.324 32.179 32.500 0.006 0.000 0.718 728 K HN 0.704 nan 8.250 nan 0.000 0.442 729 T N -1.788 112.771 114.554 0.008 0.000 3.118 729 T HA 0.127 4.427 4.350 -0.084 0.000 0.260 729 T C 1.768 176.471 174.700 0.006 0.000 1.139 729 T CA 0.651 62.757 62.100 0.010 0.000 1.085 729 T CB 0.196 69.069 68.868 0.008 0.000 0.934 729 T HN 0.113 nan 8.240 nan 0.000 0.518 730 A N 1.575 124.396 122.820 0.002 0.000 2.095 730 A HA 0.411 4.681 4.320 -0.084 0.000 0.212 730 A C 1.642 179.226 177.584 -0.001 0.000 1.162 730 A CA 0.349 52.385 52.037 -0.001 0.000 0.753 730 A CB -0.243 18.755 19.000 -0.004 0.000 0.840 730 A HN 0.666 nan 8.150 nan 0.000 0.468 731 S N -0.683 115.018 115.700 0.002 0.000 2.672 731 S HA 0.486 4.906 4.470 -0.084 0.000 0.276 731 S C 0.073 174.674 174.600 0.002 0.000 1.207 731 S CA -0.294 57.907 58.200 0.001 0.000 1.002 731 S CB 1.236 64.438 63.200 0.003 0.000 0.998 731 S HN 0.146 nan 8.310 nan 0.000 0.542 732 E N -0.059 120.140 120.200 -0.002 0.000 2.481 732 E HA 0.386 4.686 4.350 -0.084 0.000 0.198 732 E C -0.020 176.578 176.600 -0.004 0.000 1.027 732 E CA 0.061 56.459 56.400 -0.004 0.000 0.900 732 E CB 0.366 30.060 29.700 -0.009 0.000 0.993 732 E HN 0.682 nan 8.360 nan 0.000 0.482 733 M N -0.333 119.266 119.600 -0.001 0.000 2.490 733 M HA 0.385 4.815 4.480 -0.084 0.000 0.286 733 M C -1.940 174.361 176.300 0.002 0.000 1.185 733 M CA -0.730 54.568 55.300 -0.002 0.000 0.912 733 M CB 1.607 34.199 32.600 -0.012 0.000 1.744 733 M HN -0.251 nan 8.290 nan 0.000 0.494 734 V N 3.964 123.880 119.914 0.005 0.000 2.735 734 V HA 0.532 4.602 4.120 -0.084 0.000 0.310 734 V C -0.664 175.431 176.094 0.001 0.000 1.061 734 V CA -0.767 61.537 62.300 0.006 0.000 0.913 734 V CB 2.025 33.856 31.823 0.014 0.000 1.005 734 V HN 0.788 nan 8.190 nan 0.000 0.428 735 L N 3.361 124.585 121.223 0.001 0.000 2.257 735 L HA 0.442 4.732 4.340 -0.084 0.000 0.290 735 L C 1.433 178.304 176.870 0.001 0.000 1.044 735 L CA -0.329 54.510 54.840 -0.002 0.000 0.810 735 L CB 1.407 43.468 42.059 0.003 0.000 1.193 735 L HN 0.869 nan 8.230 nan 0.000 0.425 736 A N 2.563 125.383 122.820 -0.001 0.000 1.930 736 A HA -0.167 4.103 4.320 -0.084 0.000 0.217 736 A C 1.423 179.007 177.584 -0.002 0.000 1.175 736 A CA 1.766 53.803 52.037 -0.001 0.000 0.627 736 A CB -0.261 18.738 19.000 -0.001 0.000 0.815 736 A HN 0.867 nan 8.150 nan 0.000 0.443 737 D N -2.166 118.234 120.400 0.001 0.000 2.392 737 D HA 0.115 4.704 4.640 -0.084 0.000 0.206 737 D C -0.220 176.085 176.300 0.008 0.000 1.046 737 D CA 0.565 54.566 54.000 0.003 0.000 0.865 737 D CB -0.017 40.785 40.800 0.004 0.000 0.969 737 D HN 0.318 nan 8.370 nan 0.000 0.509 738 D N -0.462 119.945 120.400 0.012 0.000 3.099 738 D HA -0.167 4.423 4.640 -0.084 0.000 0.213 738 D C -0.441 175.884 176.300 0.040 0.000 1.121 738 D CA 0.457 54.471 54.000 0.022 0.000 0.951 738 D CB -1.802 39.009 40.800 0.017 0.000 1.102 738 D HN 0.325 nan 8.370 nan 0.000 0.423 739 N N 0.142 118.865 118.700 0.038 0.000 2.472 739 N HA 0.158 4.848 4.740 -0.084 0.000 0.277 739 N C 0.683 176.247 175.510 0.090 0.000 1.081 739 N CA -0.316 52.773 53.050 0.065 0.000 0.973 739 N CB 0.651 39.162 38.487 0.040 0.000 1.105 739 N HN -0.016 nan 8.380 nan 0.000 0.470 740 F N 3.480 123.420 119.950 -0.017 0.000 2.134 740 F HA -0.113 4.364 4.527 -0.083 0.000 0.299 740 F C 2.029 177.818 175.800 -0.018 0.000 1.097 740 F CA 1.308 59.297 58.000 -0.018 0.000 1.264 740 F CB -0.209 38.778 39.000 -0.022 0.000 1.001 740 F HN 0.495 nan 8.300 nan 0.000 0.479 741 S N -0.070 115.627 115.700 -0.005 0.000 2.440 741 S HA -0.210 4.210 4.470 -0.084 0.000 0.240 741 S C 1.823 176.312 174.600 -0.185 0.000 1.014 741 S CA 1.531 59.661 58.200 -0.116 0.000 0.980 741 S CB -0.713 62.495 63.200 0.014 0.000 0.775 741 S HN 0.534 nan 8.310 nan 0.000 0.499 742 T N 2.685 117.151 114.554 -0.148 0.000 2.590 742 T HA 0.014 4.314 4.350 -0.084 0.000 0.257 742 T C 1.757 176.349 174.700 -0.180 0.000 1.080 742 T CA 1.294 63.321 62.100 -0.121 0.000 1.180 742 T CB -0.563 68.263 68.868 -0.070 0.000 0.865 742 T HN 0.299 nan 8.240 nan 0.000 0.403 743 I N 1.424 121.865 120.570 -0.216 0.000 2.178 743 I HA -0.296 3.823 4.170 -0.084 0.000 0.243 743 I C 2.464 178.431 176.117 -0.250 0.000 1.019 743 I CA 1.412 62.577 61.300 -0.225 0.000 1.294 743 I CB -0.986 36.844 38.000 -0.283 0.000 0.996 743 I HN 0.108 nan 8.210 nan 0.000 0.415 744 V N 0.686 120.374 119.914 -0.377 0.000 2.392 744 V HA -0.321 3.749 4.120 -0.084 0.000 0.249 744 V C 2.622 178.620 176.094 -0.161 0.000 1.059 744 V CA 2.092 64.222 62.300 -0.283 0.000 1.051 744 V CB -1.365 30.261 31.823 -0.328 0.000 0.658 744 V HN 0.577 nan 8.190 nan 0.000 0.455 745 A N 0.101 122.837 122.820 -0.141 0.000 1.872 745 A HA 0.060 4.330 4.320 -0.084 0.000 0.214 745 A C 2.474 180.012 177.584 -0.076 0.000 1.187 745 A CA 1.757 53.741 52.037 -0.088 0.000 0.614 745 A CB -0.892 18.065 19.000 -0.071 0.000 0.826 745 A HN 0.556 nan 8.150 nan 0.000 0.442 746 A N -0.257 122.513 122.820 -0.083 0.000 1.884 746 A HA -0.130 4.140 4.320 -0.084 0.000 0.219 746 A C 2.241 179.788 177.584 -0.061 0.000 1.197 746 A CA 2.143 54.141 52.037 -0.065 0.000 0.637 746 A CB -1.262 17.698 19.000 -0.066 0.000 0.827 746 A HN 0.452 nan 8.150 nan 0.000 0.450 747 V N 0.000 119.868 119.914 -0.076 0.000 2.250 747 V HA -0.354 3.716 4.120 -0.084 0.000 0.250 747 V C 2.595 178.658 176.094 -0.052 0.000 1.060 747 V CA 2.645 64.906 62.300 -0.065 0.000 1.030 747 V CB -0.779 30.995 31.823 -0.080 0.000 0.643 747 V HN 0.804 nan 8.190 nan 0.000 0.445 748 E N -0.366 119.801 120.200 -0.055 0.000 2.058 748 E HA -0.269 4.031 4.350 -0.084 0.000 0.194 748 E C 2.233 178.818 176.600 -0.026 0.000 0.997 748 E CA 1.478 57.855 56.400 -0.039 0.000 0.801 748 E CB -0.087 29.589 29.700 -0.041 0.000 0.746 748 E HN 0.561 nan 8.360 nan 0.000 0.450 749 E N -0.174 120.008 120.200 -0.030 0.000 2.160 749 E HA -0.166 4.134 4.350 -0.084 0.000 0.195 749 E C 1.986 178.580 176.600 -0.011 0.000 0.991 749 E CA 1.020 57.405 56.400 -0.024 0.000 0.810 749 E CB -0.608 29.072 29.700 -0.033 0.000 0.742 749 E HN 0.473 nan 8.360 nan 0.000 0.466 750 G N 1.376 110.167 108.800 -0.014 0.000 2.446 750 G HA2 -0.322 3.588 3.960 -0.084 0.000 0.217 750 G HA3 -0.322 3.588 3.960 -0.084 0.000 0.217 750 G C 1.683 176.603 174.900 0.033 0.000 1.168 750 G CA 0.928 46.029 45.100 0.002 0.000 0.771 750 G HN 0.241 nan 8.290 nan 0.000 0.551 751 R N 0.491 121.000 120.500 0.016 0.000 2.139 751 R HA -0.020 4.270 4.340 -0.084 0.000 0.243 751 R C 2.912 179.269 176.300 0.096 0.000 1.145 751 R CA 1.270 57.393 56.100 0.038 0.000 0.976 751 R CB -0.278 30.023 30.300 0.003 0.000 0.866 751 R HN 0.393 nan 8.270 nan 0.000 0.449 752 A N 0.797 123.650 122.820 0.055 0.000 1.898 752 A HA -0.015 4.255 4.320 -0.084 0.000 0.214 752 A C 2.063 179.673 177.584 0.042 0.000 1.183 752 A CA 0.725 52.789 52.037 0.044 0.000 0.622 752 A CB -0.253 18.752 19.000 0.008 0.000 0.824 752 A HN 0.158 nan 8.150 nan 0.000 0.444 753 I N -1.433 119.156 120.570 0.032 0.000 2.657 753 I HA -0.249 3.870 4.170 -0.084 0.000 0.261 753 I C 2.280 178.429 176.117 0.054 0.000 1.212 753 I CA 1.410 62.717 61.300 0.012 0.000 1.453 753 I CB -0.219 37.781 38.000 0.001 0.000 1.092 753 I HN 0.604 nan 8.210 nan 0.000 0.452 754 Y N 1.690 121.981 120.300 -0.014 0.000 2.205 754 Y HA -0.105 4.395 4.550 -0.083 0.000 0.292 754 Y C 2.201 178.110 175.900 0.016 0.000 1.119 754 Y CA 1.379 59.479 58.100 0.000 0.000 1.117 754 Y CB -0.312 38.148 38.460 -0.001 0.000 1.037 754 Y HN 0.023 nan 8.280 nan 0.000 0.510 755 N N 0.908 119.715 118.700 0.178 0.000 2.247 755 N HA -0.233 4.456 4.740 -0.084 0.000 0.189 755 N C 1.423 176.928 175.510 -0.008 0.000 1.009 755 N CA 1.631 54.732 53.050 0.085 0.000 0.872 755 N CB -0.473 38.085 38.487 0.118 0.000 0.980 755 N HN 0.543 nan 8.380 nan 0.000 0.436 756 N N -0.148 118.540 118.700 -0.019 0.000 2.062 756 N HA -0.118 4.572 4.740 -0.084 0.000 0.191 756 N C 1.791 177.290 175.510 -0.018 0.000 1.042 756 N CA 1.110 54.146 53.050 -0.024 0.000 0.845 756 N CB -0.068 38.389 38.487 -0.051 0.000 1.024 756 N HN 0.166 nan 8.380 nan 0.000 0.424 757 M N 0.862 120.419 119.600 -0.073 0.000 2.089 757 M HA -0.256 4.174 4.480 -0.084 0.000 0.257 757 M C 1.343 177.624 176.300 -0.032 0.000 1.071 757 M CA 1.661 56.937 55.300 -0.040 0.000 1.096 757 M CB -0.061 32.443 32.600 -0.160 0.000 1.330 757 M HN 0.067 nan 8.290 nan 0.000 0.403 758 K N 0.317 120.607 120.400 -0.184 0.000 2.280 758 K HA -0.167 4.103 4.320 -0.084 0.000 0.202 758 K C 1.833 178.438 176.600 0.008 0.000 1.047 758 K CA 1.537 57.756 56.287 -0.112 0.000 0.942 758 K CB -0.311 32.113 32.500 -0.126 0.000 0.739 758 K HN 0.681 nan 8.250 nan 0.000 0.457 759 Q N -0.714 119.108 119.800 0.037 0.000 2.137 759 Q HA -0.047 4.242 4.340 -0.084 0.000 0.198 759 Q C 1.937 177.997 176.000 0.100 0.000 0.960 759 Q CA 0.934 56.775 55.803 0.063 0.000 0.847 759 Q CB -0.188 28.584 28.738 0.057 0.000 0.915 759 Q HN 0.276 nan 8.270 nan 0.000 0.448 760 F N 1.407 121.352 119.950 -0.008 0.000 2.113 760 F HA -0.175 4.301 4.527 -0.085 0.000 0.297 760 F C 1.933 177.761 175.800 0.046 0.000 1.103 760 F CA 1.133 59.151 58.000 0.030 0.000 1.248 760 F CB 0.057 39.061 39.000 0.006 0.000 0.999 760 F HN -0.061 nan 8.300 nan 0.000 0.475 761 I N 0.432 120.878 120.570 -0.206 0.000 2.179 761 I HA -0.304 3.816 4.170 -0.084 0.000 0.242 761 I C 2.681 178.603 176.117 -0.325 0.000 1.088 761 I CA 1.453 62.583 61.300 -0.283 0.000 1.357 761 I CB -0.746 37.208 38.000 -0.076 0.000 1.051 761 I HN 0.200 nan 8.210 nan 0.000 0.409 762 R N 0.442 120.783 120.500 -0.265 0.000 2.105 762 R HA -0.257 4.033 4.340 -0.084 0.000 0.239 762 R C 2.486 178.508 176.300 -0.462 0.000 1.135 762 R CA 1.948 57.728 56.100 -0.534 0.000 0.967 762 R CB -0.571 29.609 30.300 -0.201 0.000 0.861 762 R HN 0.384 nan 8.270 nan 0.000 0.442 763 Y N 1.236 121.331 120.300 -0.342 0.000 2.200 763 Y HA -0.172 4.327 4.550 -0.084 0.000 0.290 763 Y C 1.905 177.625 175.900 -0.300 0.000 1.137 763 Y CA 1.536 59.472 58.100 -0.272 0.000 1.163 763 Y CB -0.349 38.012 38.460 -0.167 0.000 0.988 763 Y HN -0.033 nan 8.280 nan 0.000 0.518 764 L N -0.528 120.329 121.223 -0.610 0.000 1.938 764 L HA -0.206 4.084 4.340 -0.084 0.000 0.212 764 L C 2.356 178.926 176.870 -0.500 0.000 1.085 764 L CA 0.964 55.436 54.840 -0.614 0.000 0.760 764 L CB -1.057 40.733 42.059 -0.448 0.000 0.888 764 L HN 0.168 nan 8.230 nan 0.000 0.433 765 I N 1.038 121.363 120.570 -0.409 0.000 2.132 765 I HA -0.409 3.711 4.170 -0.084 0.000 0.238 765 I C 2.972 178.843 176.117 -0.409 0.000 1.012 765 I CA 2.331 63.424 61.300 -0.345 0.000 1.288 765 I CB -1.620 36.204 38.000 -0.294 0.000 0.997 765 I HN 0.484 nan 8.210 nan 0.000 0.402 766 S N -0.037 115.308 115.700 -0.591 0.000 2.383 766 S HA -0.165 4.255 4.470 -0.084 0.000 0.229 766 S C 2.066 176.472 174.600 -0.323 0.000 1.030 766 S CA 1.690 59.627 58.200 -0.437 0.000 1.002 766 S CB -0.732 62.208 63.200 -0.433 0.000 0.829 766 S HN 0.469 nan 8.310 nan 0.000 0.467 767 S N 2.797 118.259 115.700 -0.396 0.000 2.345 767 S HA 0.006 4.426 4.470 -0.084 0.000 0.219 767 S C 1.941 176.380 174.600 -0.268 0.000 1.031 767 S CA 0.947 58.939 58.200 -0.346 0.000 0.984 767 S CB -0.606 62.264 63.200 -0.550 0.000 0.874 767 S HN 0.607 nan 8.310 nan 0.000 0.451 768 N N 1.366 119.891 118.700 -0.290 0.000 2.120 768 N HA -0.081 4.608 4.740 -0.084 0.000 0.188 768 N C 1.849 177.261 175.510 -0.163 0.000 1.024 768 N CA 1.056 53.984 53.050 -0.204 0.000 0.852 768 N CB -0.578 37.791 38.487 -0.197 0.000 1.003 768 N HN 0.200 nan 8.380 nan 0.000 0.424 769 V N 1.729 121.538 119.914 -0.175 0.000 2.546 769 V HA -0.156 3.914 4.120 -0.084 0.000 0.254 769 V C 2.085 178.099 176.094 -0.133 0.000 1.076 769 V CA 2.215 64.426 62.300 -0.149 0.000 1.087 769 V CB -0.890 30.842 31.823 -0.151 0.000 0.674 769 V HN 0.356 nan 8.190 nan 0.000 0.470 770 G N -1.246 107.476 108.800 -0.131 0.000 2.448 770 G HA2 -0.151 3.759 3.960 -0.084 0.000 0.218 770 G HA3 -0.151 3.759 3.960 -0.084 0.000 0.218 770 G C 1.330 176.190 174.900 -0.065 0.000 1.135 770 G CA 0.737 45.782 45.100 -0.091 0.000 0.784 770 G HN 0.617 nan 8.290 nan 0.000 0.543 771 E N 0.061 120.216 120.200 -0.074 0.000 2.014 771 E HA -0.048 4.252 4.350 -0.084 0.000 0.190 771 E C 2.682 179.268 176.600 -0.024 0.000 0.980 771 E CA 0.854 57.228 56.400 -0.043 0.000 0.807 771 E CB -0.201 29.467 29.700 -0.053 0.000 0.770 771 E HN 0.183 nan 8.360 nan 0.000 0.451 772 V N 2.046 121.926 119.914 -0.056 0.000 2.527 772 V HA -0.255 3.815 4.120 -0.084 0.000 0.255 772 V C 2.554 178.616 176.094 -0.053 0.000 1.081 772 V CA 1.848 64.108 62.300 -0.066 0.000 1.092 772 V CB -0.956 30.773 31.823 -0.158 0.000 0.673 772 V HN 0.300 nan 8.190 nan 0.000 0.470 773 V N -1.226 118.657 119.914 -0.052 0.000 2.719 773 V HA -0.164 3.906 4.120 -0.084 0.000 0.252 773 V C 2.415 178.554 176.094 0.075 0.000 1.065 773 V CA 1.575 63.873 62.300 -0.004 0.000 1.086 773 V CB -1.046 30.756 31.823 -0.035 0.000 0.700 773 V HN 0.684 nan 8.190 nan 0.000 0.467 774 C N 0.497 119.828 119.300 0.052 0.000 2.508 774 C HA -0.010 4.400 4.460 -0.084 0.000 0.280 774 C C 2.533 177.589 174.990 0.110 0.000 1.262 774 C CA 0.881 59.936 59.018 0.061 0.000 1.706 774 C CB -1.133 26.626 27.740 0.032 0.000 2.078 774 C HN 0.486 nan 8.230 nan 0.000 0.480 775 I N 0.557 121.205 120.570 0.131 0.000 2.236 775 I HA -0.165 3.955 4.170 -0.084 0.000 0.249 775 I C 2.502 178.754 176.117 0.225 0.000 1.102 775 I CA 1.996 63.396 61.300 0.167 0.000 1.365 775 I CB -1.421 36.695 38.000 0.193 0.000 1.051 775 I HN 0.317 nan 8.210 nan 0.000 0.420 776 F N 0.200 120.166 119.950 0.027 0.000 2.149 776 F HA -0.138 4.338 4.527 -0.086 0.000 0.294 776 F C 2.236 178.051 175.800 0.025 0.000 1.095 776 F CA 0.842 58.858 58.000 0.028 0.000 1.276 776 F CB -0.726 38.286 39.000 0.020 0.000 1.023 776 F HN -0.042 nan 8.300 nan 0.000 0.480 777 L N 0.075 121.419 121.223 0.201 0.000 2.353 777 L HA -0.132 4.158 4.340 -0.084 0.000 0.220 777 L C 2.318 179.223 176.870 0.059 0.000 1.133 777 L CA 2.187 57.091 54.840 0.107 0.000 0.798 777 L CB -1.254 40.851 42.059 0.076 0.000 0.922 777 L HN 0.343 nan 8.230 nan 0.000 0.445 778 T N -3.827 110.762 114.554 0.059 0.000 2.781 778 T HA 0.039 4.339 4.350 -0.084 0.000 0.252 778 T C 1.903 176.621 174.700 0.031 0.000 1.039 778 T CA 0.592 62.715 62.100 0.039 0.000 1.147 778 T CB -0.926 67.972 68.868 0.050 0.000 0.865 778 T HN 0.228 nan 8.240 nan 0.000 0.423 779 A N 1.630 124.461 122.820 0.019 0.000 2.186 779 A HA 0.367 4.637 4.320 -0.084 0.000 0.219 779 A C 2.344 179.880 177.584 -0.079 0.000 1.159 779 A CA 1.601 53.622 52.037 -0.027 0.000 0.680 779 A CB -1.164 17.770 19.000 -0.110 0.000 0.787 779 A HN 0.792 nan 8.150 nan 0.000 0.467 780 A N 0.406 123.194 122.820 -0.053 0.000 2.109 780 A HA 0.306 4.576 4.320 -0.084 0.000 0.220 780 A C 1.487 179.063 177.584 -0.014 0.000 1.613 780 A CA 0.760 52.773 52.037 -0.040 0.000 0.620 780 A CB -0.988 18.020 19.000 0.014 0.000 1.212 780 A HN 0.930 nan 8.150 nan 0.000 0.508 781 L N -0.316 120.911 121.223 0.008 0.000 2.834 781 L HA 0.385 4.675 4.340 -0.084 0.000 0.252 781 L C 0.934 177.796 176.870 -0.013 0.000 1.152 781 L CA 0.019 54.865 54.840 0.010 0.000 0.898 781 L CB -2.187 39.894 42.059 0.037 0.000 1.078 781 L HN 0.971 nan 8.230 nan 0.000 0.439 782 G N -0.070 108.726 108.800 -0.007 0.000 3.106 782 G HA2 -0.136 3.774 3.960 -0.084 0.000 0.352 782 G HA3 -0.136 3.774 3.960 -0.084 0.000 0.352 782 G C -0.793 174.116 174.900 0.014 0.000 0.563 782 G CA 0.232 45.339 45.100 0.012 0.000 0.945 782 G HN 0.458 nan 8.290 nan 0.000 0.470 783 L N 4.093 125.371 121.223 0.091 0.000 2.775 783 L HA 0.491 4.781 4.340 -0.084 0.000 0.263 783 L C -2.149 174.646 176.870 -0.126 0.000 1.017 783 L CA -2.073 52.749 54.840 -0.031 0.000 0.891 783 L CB 2.902 44.901 42.059 -0.101 0.000 1.482 783 L HN 0.470 nan 8.230 nan 0.000 0.410 784 P HA 0.045 nan 4.420 nan 0.000 0.267 784 P C -0.786 176.390 177.300 -0.208 0.000 1.205 784 P CA 0.020 62.568 63.100 -0.920 0.000 0.765 784 P CB 0.392 31.471 31.700 -1.035 0.000 0.828 785 E N 1.831 122.016 120.200 -0.024 0.000 2.565 785 E HA -0.007 4.292 4.350 -0.084 0.000 0.268 785 E C 0.974 177.607 176.600 0.055 0.000 1.000 785 E CA 0.343 56.790 56.400 0.079 0.000 0.964 785 E CB 0.276 30.070 29.700 0.156 0.000 0.955 785 E HN 0.536 nan 8.360 nan 0.000 0.459 786 A N 3.514 126.375 122.820 0.067 0.000 2.167 786 A HA 0.235 4.505 4.320 -0.084 0.000 0.208 786 A C 0.471 178.085 177.584 0.049 0.000 1.198 786 A CA 0.210 52.279 52.037 0.054 0.000 0.863 786 A CB 0.505 19.537 19.000 0.053 0.000 0.904 786 A HN 0.427 nan 8.150 nan 0.000 0.484 787 L N 0.121 121.382 121.223 0.063 0.000 2.465 787 L HA 0.591 4.881 4.340 -0.084 0.000 0.257 787 L C -0.908 175.997 176.870 0.059 0.000 0.988 787 L CA -0.899 53.973 54.840 0.054 0.000 0.827 787 L CB 2.326 44.415 42.059 0.050 0.000 1.397 787 L HN 0.413 nan 8.230 nan 0.000 0.410 788 I N -1.989 118.608 120.570 0.045 0.000 3.067 788 I HA 0.597 4.717 4.170 -0.084 0.000 0.312 788 I C -2.236 173.874 176.117 -0.012 0.000 1.073 788 I CA -2.203 59.127 61.300 0.050 0.000 1.016 788 I CB 2.078 40.148 38.000 0.117 0.000 1.227 788 I HN 0.287 nan 8.210 nan 0.000 0.456 789 P HA -0.297 nan 4.420 nan 0.000 0.214 789 P C 1.831 179.099 177.300 -0.054 0.000 1.099 789 P CA 2.737 65.804 63.100 -0.056 0.000 0.976 789 P CB -0.204 31.473 31.700 -0.038 0.000 0.774 790 V N -2.211 117.654 119.914 -0.083 0.000 2.688 790 V HA -0.278 3.792 4.120 -0.084 0.000 0.256 790 V C 1.975 177.954 176.094 -0.191 0.000 1.084 790 V CA 1.828 64.032 62.300 -0.161 0.000 1.103 790 V CB -1.524 30.128 31.823 -0.284 0.000 0.688 790 V HN 0.152 nan 8.190 nan 0.000 0.480 791 Q N -0.137 119.586 119.800 -0.127 0.000 2.137 791 Q HA 0.099 4.388 4.340 -0.084 0.000 0.198 791 Q C 2.296 178.352 176.000 0.093 0.000 0.960 791 Q CA 1.708 57.501 55.803 -0.017 0.000 0.847 791 Q CB -0.176 28.568 28.738 0.009 0.000 0.915 791 Q HN 0.627 nan 8.270 nan 0.000 0.448 792 L N 0.320 121.562 121.223 0.032 0.000 2.027 792 L HA -0.189 4.101 4.340 -0.084 0.000 0.206 792 L C 2.247 179.137 176.870 0.033 0.000 1.074 792 L CA 1.048 55.904 54.840 0.027 0.000 0.745 792 L CB -0.498 41.556 42.059 -0.008 0.000 0.898 792 L HN 0.320 nan 8.230 nan 0.000 0.433 793 L N -1.284 119.955 121.223 0.026 0.000 2.042 793 L HA -0.298 3.991 4.340 -0.084 0.000 0.210 793 L C 2.512 179.441 176.870 0.098 0.000 1.076 793 L CA 1.686 56.547 54.840 0.035 0.000 0.749 793 L CB -0.862 41.213 42.059 0.027 0.000 0.893 793 L HN 0.570 nan 8.230 nan 0.000 0.432 794 W N 1.282 122.563 121.300 -0.031 0.000 2.329 794 W HA -0.239 4.365 4.660 -0.094 0.000 0.324 794 W C 2.317 178.879 176.519 0.072 0.000 1.222 794 W CA 2.121 59.507 57.345 0.067 0.000 1.270 794 W CB -0.368 29.172 29.460 0.133 0.000 1.167 794 W HN -0.080 nan 8.180 nan 0.000 0.467 795 V N 1.636 121.598 119.914 0.080 0.000 2.278 795 V HA -0.423 3.647 4.120 -0.084 0.000 0.251 795 V C 2.187 178.199 176.094 -0.137 0.000 1.062 795 V CA 2.527 64.793 62.300 -0.056 0.000 1.038 795 V CB -1.612 30.234 31.823 0.038 0.000 0.646 795 V HN 0.315 nan 8.190 nan 0.000 0.447 796 N N 0.333 118.981 118.700 -0.087 0.000 2.002 796 N HA -0.246 4.443 4.740 -0.084 0.000 0.199 796 N C 1.857 177.289 175.510 -0.131 0.000 1.060 796 N CA 2.450 55.447 53.050 -0.089 0.000 0.867 796 N CB -0.529 37.923 38.487 -0.059 0.000 1.069 796 N HN 0.427 nan 8.380 nan 0.000 0.430 797 L N -0.078 121.051 121.223 -0.157 0.000 2.064 797 L HA -0.207 4.083 4.340 -0.084 0.000 0.216 797 L C 1.799 178.497 176.870 -0.286 0.000 1.077 797 L CA 1.483 56.203 54.840 -0.199 0.000 0.766 797 L CB -0.249 41.687 42.059 -0.205 0.000 0.890 797 L HN 0.186 nan 8.230 nan 0.000 0.435 798 V N -0.900 118.748 119.914 -0.443 0.000 2.871 798 V HA -0.140 3.930 4.120 -0.084 0.000 0.256 798 V C 2.095 178.062 176.094 -0.211 0.000 1.082 798 V CA 1.805 63.851 62.300 -0.424 0.000 1.105 798 V CB -0.493 30.941 31.823 -0.649 0.000 0.713 798 V HN 0.737 nan 8.190 nan 0.000 0.473 799 T N -4.823 109.648 114.554 -0.139 0.000 3.043 799 T HA 0.235 4.535 4.350 -0.084 0.000 0.272 799 T C 0.287 175.027 174.700 0.067 0.000 0.990 799 T CA -0.289 61.805 62.100 -0.010 0.000 0.897 799 T CB 0.562 69.418 68.868 -0.020 0.000 1.111 799 T HN 0.316 nan 8.240 nan 0.000 0.529 800 D N 0.439 120.842 120.400 0.004 0.000 2.658 800 D HA 0.587 5.177 4.640 -0.084 0.000 0.243 800 D C 1.705 178.035 176.300 0.049 0.000 1.159 800 D CA 0.351 54.380 54.000 0.050 0.000 1.084 800 D CB 0.117 40.908 40.800 -0.015 0.000 1.227 800 D HN 0.154 nan 8.370 nan 0.000 0.636 801 G N -0.036 108.800 108.800 0.060 0.000 3.713 801 G HA2 -0.367 3.543 3.960 -0.084 0.000 0.224 801 G HA3 -0.367 3.543 3.960 -0.084 0.000 0.224 801 G C 1.009 175.911 174.900 0.004 0.000 1.745 801 G CA 1.808 46.926 45.100 0.031 0.000 1.826 801 G HN 0.393 nan 8.290 nan 0.000 0.779 802 L N 1.065 122.262 121.223 -0.044 0.000 2.488 802 L HA 0.381 4.671 4.340 -0.084 0.000 0.186 802 L C -0.895 175.936 176.870 -0.066 0.000 1.124 802 L CA 1.192 55.971 54.840 -0.102 0.000 0.838 802 L CB -0.158 41.782 42.059 -0.198 0.000 1.107 802 L HN 0.151 nan 8.230 nan 0.000 0.494 803 P HA -0.032 nan 4.420 nan 0.000 0.231 803 P C 0.984 178.219 177.300 -0.108 0.000 1.158 803 P CA 1.275 64.316 63.100 -0.099 0.000 0.763 803 P CB -0.038 31.594 31.700 -0.113 0.000 0.805 804 A N -0.854 121.996 122.820 0.049 0.000 1.854 804 A HA -0.116 4.154 4.320 -0.084 0.000 0.214 804 A C 2.193 179.904 177.584 0.211 0.000 1.192 804 A CA 1.990 54.169 52.037 0.236 0.000 0.611 804 A CB -1.689 17.546 19.000 0.393 0.000 0.832 804 A HN 0.104 nan 8.150 nan 0.000 0.442 805 T N 0.601 115.225 114.554 0.116 0.000 2.788 805 T HA -0.035 4.264 4.350 -0.084 0.000 0.268 805 T C 2.172 176.934 174.700 0.103 0.000 1.044 805 T CA 1.469 63.611 62.100 0.070 0.000 1.139 805 T CB -0.540 68.379 68.868 0.085 0.000 0.867 805 T HN 0.606 nan 8.240 nan 0.000 0.454 806 A N 2.118 124.978 122.820 0.067 0.000 1.863 806 A HA -0.175 4.095 4.320 -0.084 0.000 0.218 806 A C 2.211 179.875 177.584 0.133 0.000 1.233 806 A CA 1.937 54.023 52.037 0.081 0.000 0.655 806 A CB -1.263 17.749 19.000 0.020 0.000 0.839 806 A HN 0.528 nan 8.150 nan 0.000 0.454 807 L N -0.493 120.761 121.223 0.053 0.000 2.230 807 L HA -0.257 4.033 4.340 -0.084 0.000 0.217 807 L C 2.509 179.395 176.870 0.025 0.000 1.090 807 L CA 1.009 55.874 54.840 0.042 0.000 0.771 807 L CB -1.003 41.093 42.059 0.062 0.000 0.892 807 L HN 0.552 nan 8.230 nan 0.000 0.438 808 G N -1.057 107.750 108.800 0.010 0.000 2.625 808 G HA2 -0.179 3.730 3.960 -0.084 0.000 0.214 808 G HA3 -0.179 3.730 3.960 -0.084 0.000 0.214 808 G C 1.042 175.751 174.900 -0.319 0.000 1.132 808 G CA 0.114 45.121 45.100 -0.156 0.000 0.782 808 G HN 0.380 nan 8.290 nan 0.000 0.538 809 F N 0.420 120.246 119.950 -0.207 0.000 2.639 809 F HA 0.312 4.789 4.527 -0.084 0.000 0.302 809 F C 1.016 176.721 175.800 -0.159 0.000 1.097 809 F CA -0.929 56.910 58.000 -0.267 0.000 1.294 809 F CB 0.217 38.928 39.000 -0.483 0.000 1.027 809 F HN -0.112 nan 8.300 nan 0.000 0.550 810 N N 2.032 120.726 118.700 -0.011 0.000 2.453 810 N HA 0.126 4.816 4.740 -0.084 0.000 0.253 810 N C -2.422 173.065 175.510 -0.038 0.000 1.252 810 N CA -0.645 52.401 53.050 -0.007 0.000 0.917 810 N CB 0.509 38.989 38.487 -0.013 0.000 1.117 810 N HN -0.049 nan 8.380 nan 0.000 0.442 811 P HA 0.401 nan 4.420 nan 0.000 0.285 811 P C -2.614 174.673 177.300 -0.022 0.000 1.280 811 P CA -1.565 61.522 63.100 -0.022 0.000 0.862 811 P CB 0.018 31.718 31.700 0.001 0.000 1.153 812 P HA 0.010 nan 4.420 nan 0.000 0.258 812 P C -0.082 177.214 177.300 -0.007 0.000 1.187 812 P CA 0.712 63.803 63.100 -0.015 0.000 0.767 812 P CB -0.086 31.605 31.700 -0.016 0.000 0.770 813 D N 2.081 122.481 120.400 0.000 0.000 2.364 813 D HA 0.111 4.701 4.640 -0.084 0.000 0.236 813 D C 0.140 176.442 176.300 0.004 0.000 1.221 813 D CA 0.354 54.358 54.000 0.006 0.000 0.891 813 D CB 0.502 41.315 40.800 0.021 0.000 1.190 813 D HN 0.144 nan 8.370 nan 0.000 0.449 814 L N 0.651 121.876 121.223 0.003 0.000 2.313 814 L HA 0.292 4.582 4.340 -0.084 0.000 0.268 814 L C 0.360 177.229 176.870 -0.001 0.000 1.010 814 L CA -0.930 53.910 54.840 -0.001 0.000 0.814 814 L CB 1.065 43.122 42.059 -0.004 0.000 1.304 814 L HN 0.277 nan 8.230 nan 0.000 0.441 815 D N 0.400 120.796 120.400 -0.006 0.000 2.882 815 D HA -0.245 4.345 4.640 -0.084 0.000 0.229 815 D C 0.719 177.014 176.300 -0.009 0.000 1.167 815 D CA 0.974 54.967 54.000 -0.012 0.000 0.759 815 D CB -0.832 39.957 40.800 -0.017 0.000 1.088 815 D HN 0.618 nan 8.370 nan 0.000 0.425 816 I N -1.193 119.375 120.570 -0.003 0.000 3.251 816 I HA -0.106 4.013 4.170 -0.084 0.000 0.277 816 I C 1.055 177.167 176.117 -0.009 0.000 1.268 816 I CA 0.599 61.901 61.300 0.003 0.000 1.449 816 I CB 0.076 38.082 38.000 0.010 0.000 1.083 816 I HN -0.026 nan 8.210 nan 0.000 0.464 817 M N -0.342 119.249 119.600 -0.015 0.000 2.419 817 M HA 0.147 4.577 4.480 -0.084 0.000 0.252 817 M C 0.248 176.534 176.300 -0.023 0.000 1.143 817 M CA 0.558 55.845 55.300 -0.021 0.000 0.985 817 M CB -0.601 31.986 32.600 -0.021 0.000 1.489 817 M HN 0.069 nan 8.290 nan 0.000 0.484 818 D N 0.960 121.345 120.400 -0.025 0.000 2.363 818 D HA 0.078 4.667 4.640 -0.084 0.000 0.214 818 D C 0.638 176.918 176.300 -0.034 0.000 1.093 818 D CA 0.055 54.037 54.000 -0.029 0.000 0.837 818 D CB 0.696 41.476 40.800 -0.034 0.000 0.948 818 D HN 0.331 nan 8.370 nan 0.000 0.507 819 R N 0.168 120.648 120.500 -0.033 0.000 2.828 819 R HA 0.615 4.905 4.340 -0.084 0.000 0.264 819 R C -2.756 173.520 176.300 -0.039 0.000 1.022 819 R CA -1.726 54.352 56.100 -0.037 0.000 1.021 819 R CB 0.457 30.736 30.300 -0.035 0.000 1.163 819 R HN -0.207 nan 8.270 nan 0.000 0.494 820 P HA 0.199 nan 4.420 nan 0.000 0.276 820 P C -2.437 174.832 177.300 -0.051 0.000 1.244 820 P CA -1.547 61.529 63.100 -0.039 0.000 0.801 820 P CB 0.375 32.054 31.700 -0.036 0.000 1.006 821 P HA 0.082 nan 4.420 nan 0.000 0.268 821 P C 0.188 177.437 177.300 -0.085 0.000 1.205 821 P CA 0.053 63.113 63.100 -0.067 0.000 0.771 821 P CB 0.580 32.251 31.700 -0.049 0.000 0.858 822 R N 2.326 122.746 120.500 -0.134 0.000 2.585 822 R HA 0.152 4.442 4.340 -0.084 0.000 0.275 822 R C -0.168 176.064 176.300 -0.114 0.000 1.018 822 R CA 0.113 56.111 56.100 -0.171 0.000 1.072 822 R CB 0.092 30.195 30.300 -0.328 0.000 0.953 822 R HN 0.573 nan 8.270 nan 0.000 0.419 823 S N 4.462 120.110 115.700 -0.086 0.000 2.437 823 S HA 0.307 4.727 4.470 -0.084 0.000 0.305 823 S C -2.112 172.462 174.600 -0.044 0.000 1.109 823 S CA -1.576 56.593 58.200 -0.050 0.000 1.099 823 S CB 2.066 65.248 63.200 -0.030 0.000 1.004 823 S HN 0.541 nan 8.310 nan 0.000 0.475 824 P HA -0.138 nan 4.420 nan 0.000 0.234 824 P C 1.010 178.307 177.300 -0.005 0.000 1.162 824 P CA 0.821 63.912 63.100 -0.015 0.000 0.759 824 P CB -0.022 31.674 31.700 -0.007 0.000 0.813 825 K N 0.628 121.024 120.400 -0.008 0.000 1.991 825 K HA -0.050 4.220 4.320 -0.084 0.000 0.208 825 K C 0.667 177.268 176.600 0.000 0.000 1.038 825 K CA 0.319 56.606 56.287 -0.001 0.000 0.943 825 K CB -1.151 31.349 32.500 -0.001 0.000 0.736 825 K HN 0.142 nan 8.250 nan 0.000 0.440 826 E N 3.929 124.126 120.200 -0.005 0.000 2.696 826 E HA -0.030 4.269 4.350 -0.084 0.000 0.270 826 E C -2.014 174.592 176.600 0.010 0.000 0.958 826 E CA -1.353 55.047 56.400 -0.000 0.000 0.964 826 E CB -0.584 29.111 29.700 -0.008 0.000 0.948 826 E HN 0.230 nan 8.360 nan 0.000 0.472 827 P HA -0.096 nan 4.420 nan 0.000 0.272 827 P C 0.543 177.859 177.300 0.027 0.000 1.240 827 P CA -0.406 62.705 63.100 0.018 0.000 0.791 827 P CB 0.759 32.466 31.700 0.011 0.000 0.978 828 L N 1.674 122.898 121.223 0.000 0.000 2.012 828 L HA -0.011 4.279 4.340 -0.084 0.000 0.210 828 L C 1.018 177.863 176.870 -0.041 0.000 1.073 828 L CA 1.871 56.688 54.840 -0.037 0.000 0.748 828 L CB -0.417 41.519 42.059 -0.204 0.000 0.891 828 L HN 0.293 nan 8.230 nan 0.000 0.431 829 I N -0.178 120.355 120.570 -0.062 0.000 2.436 829 I HA 0.225 4.345 4.170 -0.084 0.000 0.289 829 I C -0.008 176.105 176.117 -0.008 0.000 1.010 829 I CA -0.682 60.587 61.300 -0.051 0.000 1.098 829 I CB 1.577 39.514 38.000 -0.104 0.000 1.266 829 I HN 0.068 nan 8.210 nan 0.000 0.434 830 S N 3.709 119.430 115.700 0.036 0.000 2.565 830 S HA 0.245 4.664 4.470 -0.084 0.000 0.276 830 S C 1.374 176.036 174.600 0.104 0.000 1.326 830 S CA -0.134 58.116 58.200 0.084 0.000 1.045 830 S CB 1.588 64.876 63.200 0.147 0.000 0.918 830 S HN 0.882 nan 8.310 nan 0.000 0.505 831 G N 2.854 111.712 108.800 0.096 0.000 2.606 831 G HA2 -0.306 3.604 3.960 -0.084 0.000 0.221 831 G HA3 -0.306 3.604 3.960 -0.084 0.000 0.221 831 G C 1.194 176.252 174.900 0.264 0.000 1.152 831 G CA 1.165 46.337 45.100 0.118 0.000 0.765 831 G HN 0.975 nan 8.290 nan 0.000 0.595 832 W N 0.653 122.004 121.300 0.085 0.000 2.374 832 W HA -0.019 4.592 4.660 -0.083 0.000 0.288 832 W C 1.841 178.462 176.519 0.170 0.000 1.218 832 W CA 0.926 58.354 57.345 0.138 0.000 1.245 832 W CB -0.547 28.960 29.460 0.078 0.000 1.126 832 W HN 0.195 nan 8.180 nan 0.000 0.545 833 L N 1.094 122.346 121.223 0.047 0.000 2.017 833 L HA -0.152 4.138 4.340 -0.084 0.000 0.208 833 L C 2.714 179.213 176.870 -0.618 0.000 1.073 833 L CA 2.381 57.046 54.840 -0.292 0.000 0.745 833 L CB -1.826 40.134 42.059 -0.165 0.000 0.894 833 L HN 0.073 nan 8.230 nan 0.000 0.432 834 F N -0.757 118.845 119.950 -0.580 0.000 2.120 834 F HA -0.348 4.129 4.527 -0.084 0.000 0.300 834 F C 2.340 178.006 175.800 -0.223 0.000 1.095 834 F CA 1.854 59.571 58.000 -0.473 0.000 1.249 834 F CB -0.607 38.282 39.000 -0.186 0.000 0.995 834 F HN 0.181 nan 8.300 nan 0.000 0.480 835 F N 1.845 121.704 119.950 -0.152 0.000 2.026 835 F HA -0.211 4.267 4.527 -0.083 0.000 0.296 835 F C 2.703 178.263 175.800 -0.399 0.000 1.133 835 F CA 2.279 60.131 58.000 -0.248 0.000 1.188 835 F CB -0.992 37.935 39.000 -0.120 0.000 0.968 835 F HN -0.002 nan 8.300 nan 0.000 0.476 836 R N -0.104 120.024 120.500 -0.619 0.000 2.174 836 R HA -0.264 4.026 4.340 -0.084 0.000 0.253 836 R C 1.975 178.092 176.300 -0.305 0.000 1.165 836 R CA 2.214 57.944 56.100 -0.615 0.000 0.984 836 R CB -1.456 28.482 30.300 -0.602 0.000 0.873 836 R HN 0.472 nan 8.270 nan 0.000 0.456 837 Y N -0.178 119.841 120.300 -0.469 0.000 2.114 837 Y HA -0.083 4.417 4.550 -0.083 0.000 0.284 837 Y C 2.242 177.864 175.900 -0.463 0.000 1.119 837 Y CA 1.309 59.173 58.100 -0.394 0.000 1.108 837 Y CB -0.764 37.500 38.460 -0.327 0.000 0.995 837 Y HN -0.004 nan 8.280 nan 0.000 0.491 838 M N -0.100 119.227 119.600 -0.455 0.000 2.202 838 M HA -0.114 4.315 4.480 -0.084 0.000 0.262 838 M C 2.327 178.380 176.300 -0.411 0.000 1.063 838 M CA 1.433 56.458 55.300 -0.458 0.000 1.097 838 M CB -2.000 30.235 32.600 -0.609 0.000 1.382 838 M HN 0.250 nan 8.290 nan 0.000 0.413 839 A N 1.165 123.619 122.820 -0.611 0.000 1.865 839 A HA -0.148 4.122 4.320 -0.084 0.000 0.217 839 A C 2.275 179.686 177.584 -0.288 0.000 1.191 839 A CA 1.477 53.164 52.037 -0.583 0.000 0.623 839 A CB -0.550 17.893 19.000 -0.928 0.000 0.826 839 A HN 0.337 nan 8.150 nan 0.000 0.444 840 I N -0.394 120.015 120.570 -0.268 0.000 2.130 840 I HA -0.137 3.983 4.170 -0.084 0.000 0.234 840 I C 2.848 178.914 176.117 -0.085 0.000 1.067 840 I CA 1.634 62.837 61.300 -0.162 0.000 1.339 840 I CB -2.035 35.858 38.000 -0.178 0.000 1.073 840 I HN 0.355 nan 8.210 nan 0.000 0.405 841 G N 0.553 109.268 108.800 -0.141 0.000 2.507 841 G HA2 -0.264 3.646 3.960 -0.084 0.000 0.221 841 G HA3 -0.264 3.646 3.960 -0.084 0.000 0.221 841 G C 1.664 176.517 174.900 -0.078 0.000 1.119 841 G CA 1.109 46.137 45.100 -0.120 0.000 0.751 841 G HN 0.541 nan 8.290 nan 0.000 0.574 842 G N -0.673 108.073 108.800 -0.091 0.000 2.448 842 G HA2 -0.128 3.782 3.960 -0.084 0.000 0.218 842 G HA3 -0.128 3.782 3.960 -0.084 0.000 0.218 842 G C 1.508 176.401 174.900 -0.011 0.000 1.135 842 G CA 1.003 46.065 45.100 -0.063 0.000 0.784 842 G HN 0.515 nan 8.290 nan 0.000 0.543 843 Y N 1.693 121.930 120.300 -0.104 0.000 2.153 843 Y HA -0.114 4.386 4.550 -0.084 0.000 0.289 843 Y C 2.878 178.743 175.900 -0.058 0.000 1.119 843 Y CA 2.080 60.137 58.100 -0.073 0.000 1.116 843 Y CB -0.400 38.013 38.460 -0.079 0.000 1.004 843 Y HN 0.077 nan 8.280 nan 0.000 0.501 844 V N -0.193 119.899 119.914 0.296 0.000 2.233 844 V HA -0.318 3.751 4.120 -0.084 0.000 0.252 844 V C 2.431 178.498 176.094 -0.044 0.000 1.063 844 V CA 2.230 64.619 62.300 0.148 0.000 1.032 844 V CB -2.081 29.788 31.823 0.078 0.000 0.645 844 V HN 0.531 nan 8.190 nan 0.000 0.446 845 G N -0.316 108.456 108.800 -0.047 0.000 2.485 845 G HA2 -0.114 3.796 3.960 -0.084 0.000 0.221 845 G HA3 -0.114 3.796 3.960 -0.084 0.000 0.221 845 G C 1.615 176.465 174.900 -0.084 0.000 1.115 845 G CA 1.522 46.591 45.100 -0.051 0.000 0.751 845 G HN 0.982 nan 8.290 nan 0.000 0.567 846 A N 1.235 123.955 122.820 -0.167 0.000 1.843 846 A HA 0.418 4.688 4.320 -0.084 0.000 0.213 846 A C 2.861 180.304 177.584 -0.236 0.000 1.202 846 A CA 1.964 53.880 52.037 -0.201 0.000 0.607 846 A CB -1.048 17.780 19.000 -0.286 0.000 0.847 846 A HN 0.861 nan 8.150 nan 0.000 0.445 847 A N -0.875 121.698 122.820 -0.412 0.000 2.009 847 A HA -0.195 4.075 4.320 -0.084 0.000 0.222 847 A C 2.261 179.772 177.584 -0.122 0.000 1.175 847 A CA 2.658 54.517 52.037 -0.297 0.000 0.651 847 A CB -1.328 17.504 19.000 -0.280 0.000 0.815 847 A HN 0.464 nan 8.150 nan 0.000 0.459 848 T N -0.800 113.704 114.554 -0.084 0.000 2.770 848 T HA -0.019 4.280 4.350 -0.084 0.000 0.263 848 T C 1.260 175.957 174.700 -0.005 0.000 1.039 848 T CA 1.403 63.485 62.100 -0.031 0.000 1.142 848 T CB -0.213 68.646 68.868 -0.014 0.000 0.868 848 T HN 0.143 nan 8.240 nan 0.000 0.435 849 V N 1.292 121.200 119.914 -0.009 0.000 3.292 849 V HA 0.430 4.500 4.120 -0.084 0.000 0.372 849 V C 1.481 177.586 176.094 0.019 0.000 1.249 849 V CA 0.572 62.883 62.300 0.017 0.000 1.378 849 V CB -0.386 31.446 31.823 0.015 0.000 1.245 849 V HN 0.570 nan 8.190 nan 0.000 0.467 850 G N -1.009 107.801 108.800 0.016 0.000 4.250 850 G HA2 0.424 4.333 3.960 -0.084 0.000 0.242 850 G HA3 0.424 4.333 3.960 -0.084 0.000 0.242 850 G C 0.756 175.689 174.900 0.056 0.000 1.075 850 G CA 0.737 45.855 45.100 0.030 0.000 0.846 850 G HN 0.477 nan 8.290 nan 0.000 0.445 851 A N 0.480 123.336 122.820 0.060 0.000 1.970 851 A HA 0.718 4.988 4.320 -0.084 0.000 0.204 851 A C 2.434 180.141 177.584 0.206 0.000 1.325 851 A CA 1.673 53.748 52.037 0.063 0.000 0.767 851 A CB -0.372 18.623 19.000 -0.008 0.000 0.949 851 A HN 0.776 nan 8.150 nan 0.000 0.481 852 A N 0.136 123.056 122.820 0.167 0.000 1.968 852 A HA 0.305 4.575 4.320 -0.084 0.000 0.217 852 A C 2.333 180.120 177.584 0.338 0.000 1.169 852 A CA 1.672 53.834 52.037 0.208 0.000 0.638 852 A CB -0.792 18.290 19.000 0.136 0.000 0.812 852 A HN 1.012 nan 8.150 nan 0.000 0.446 853 A N -1.077 121.913 122.820 0.283 0.000 2.019 853 A HA -0.163 4.106 4.320 -0.084 0.000 0.219 853 A C 1.990 179.761 177.584 0.312 0.000 1.164 853 A CA 1.326 53.522 52.037 0.266 0.000 0.644 853 A CB -0.723 18.370 19.000 0.156 0.000 0.805 853 A HN 0.937 nan 8.150 nan 0.000 0.449 854 W N -1.310 120.056 121.300 0.109 0.000 2.576 854 W HA -0.068 4.542 4.660 -0.085 0.000 0.270 854 W C 1.666 178.200 176.519 0.026 0.000 1.255 854 W CA 0.885 58.269 57.345 0.064 0.000 1.314 854 W CB -0.483 29.000 29.460 0.039 0.000 1.101 854 W HN 0.504 nan 8.180 nan 0.000 0.595 855 W N 0.831 122.191 121.300 0.101 0.000 2.408 855 W HA -0.109 4.503 4.660 -0.080 0.000 0.311 855 W C 2.196 178.602 176.519 -0.189 0.000 1.190 855 W CA 2.177 59.440 57.345 -0.136 0.000 1.321 855 W CB -1.187 28.156 29.460 -0.196 0.000 1.143 855 W HN -0.235 nan 8.180 nan 0.000 0.501 856 F N 0.350 120.452 119.950 0.254 0.000 2.031 856 F HA -0.118 4.358 4.527 -0.085 0.000 0.295 856 F C 2.055 177.805 175.800 -0.084 0.000 1.133 856 F CA 1.423 59.500 58.000 0.129 0.000 1.188 856 F CB -1.376 37.782 39.000 0.264 0.000 0.974 856 F HN -0.314 nan 8.300 nan 0.000 0.473 857 M N -1.188 118.531 119.600 0.198 0.000 1.878 857 M HA -0.015 4.415 4.480 -0.084 0.000 0.236 857 M C -0.021 176.257 176.300 -0.037 0.000 1.315 857 M CA -0.519 54.849 55.300 0.113 0.000 0.986 857 M CB -0.248 32.430 32.600 0.130 0.000 1.324 857 M HN -0.006 nan 8.290 nan 0.000 0.474 858 Y N 0.746 120.982 120.300 -0.106 0.000 2.960 858 Y HA 0.130 4.630 4.550 -0.083 0.000 0.345 858 Y C -0.301 175.263 175.900 -0.561 0.000 1.277 858 Y CA 0.426 58.382 58.100 -0.240 0.000 1.508 858 Y CB 0.225 38.617 38.460 -0.113 0.000 1.317 858 Y HN 0.600 nan 8.280 nan 0.000 0.639 859 A N 5.365 127.329 122.820 -1.426 0.000 2.500 859 A HA 0.306 4.575 4.320 -0.084 0.000 0.291 859 A C 0.770 177.521 177.584 -1.388 0.000 1.048 859 A CA -0.078 50.885 52.037 -1.790 0.000 0.791 859 A CB 0.681 18.691 19.000 -1.651 0.000 1.309 859 A HN 0.930 nan 8.150 nan 0.000 0.397 860 E N 1.650 121.243 120.200 -1.011 0.000 2.430 860 E HA -0.334 3.965 4.350 -0.084 0.000 0.243 860 E C 0.437 176.791 176.600 -0.409 0.000 1.111 860 E CA 2.559 58.673 56.400 -0.477 0.000 1.097 860 E CB 0.007 29.656 29.700 -0.085 0.000 0.941 860 E HN 0.780 nan 8.360 nan 0.000 0.473 861 D N -1.858 118.320 120.400 -0.370 0.000 3.007 861 D HA 0.160 4.750 4.640 -0.084 0.000 0.363 861 D C -0.008 176.118 176.300 -0.290 0.000 1.474 861 D CA 0.151 53.997 54.000 -0.258 0.000 0.767 861 D CB -0.253 40.472 40.800 -0.126 0.000 1.227 861 D HN 0.201 nan 8.370 nan 0.000 0.471 862 G N 1.601 110.123 108.800 -0.464 0.000 2.398 862 G HA2 0.304 4.214 3.960 -0.084 0.000 0.246 862 G HA3 0.304 4.214 3.960 -0.084 0.000 0.246 862 G C -1.333 173.305 174.900 -0.438 0.000 1.289 862 G CA -0.782 44.006 45.100 -0.520 0.000 0.869 862 G HN -0.036 nan 8.290 nan 0.000 0.543 863 P HA 0.086 nan 4.420 nan 0.000 0.226 863 P C 0.838 177.959 177.300 -0.298 0.000 1.146 863 P CA 1.338 64.308 63.100 -0.215 0.000 0.773 863 P CB 0.384 32.081 31.700 -0.005 0.000 0.772 864 G N -1.960 106.455 108.800 -0.642 0.000 2.718 864 G HA2 0.573 4.483 3.960 -0.084 0.000 0.295 864 G HA3 0.573 4.483 3.960 -0.084 0.000 0.295 864 G C -1.892 172.677 174.900 -0.553 0.000 1.421 864 G CA -0.304 44.450 45.100 -0.576 0.000 0.902 864 G HN -0.149 nan 8.290 nan 0.000 0.501 865 V N -0.063 119.698 119.914 -0.257 0.000 3.120 865 V HA 0.913 4.983 4.120 -0.084 0.000 0.303 865 V C 0.182 176.294 176.094 0.029 0.000 1.238 865 V CA 0.006 62.232 62.300 -0.122 0.000 1.008 865 V CB 1.983 33.761 31.823 -0.074 0.000 1.064 865 V HN 1.556 nan 8.190 nan 0.000 0.434 866 T N -0.249 114.388 114.554 0.138 0.000 2.663 866 T HA 0.642 4.941 4.350 -0.084 0.000 0.302 866 T C -1.680 173.250 174.700 0.384 0.000 1.523 866 T CA -0.559 61.690 62.100 0.248 0.000 1.011 866 T CB 1.448 70.536 68.868 0.367 0.000 1.841 866 T HN 0.832 nan 8.240 nan 0.000 0.462 867 Y N -0.669 119.854 120.300 0.372 0.000 2.634 867 Y HA 0.519 5.019 4.550 -0.083 0.000 0.340 867 Y C 1.109 177.115 175.900 0.177 0.000 1.058 867 Y CA -1.269 56.985 58.100 0.256 0.000 1.081 867 Y CB 1.453 40.063 38.460 0.250 0.000 1.295 867 Y HN 0.934 nan 8.280 nan 0.000 0.487 868 H N 1.811 120.187 119.070 -1.157 0.000 2.559 868 H HA -0.056 4.450 4.556 -0.083 0.000 0.290 868 H C 0.265 175.374 175.328 -0.364 0.000 1.073 868 H CA 1.190 56.821 56.048 -0.695 0.000 1.205 868 H CB 0.310 29.581 29.762 -0.818 0.000 1.338 868 H HN 0.484 nan 8.280 nan 0.000 0.619 869 Q N 0.565 120.275 119.800 -0.151 0.000 2.247 869 Q HA -0.009 4.281 4.340 -0.084 0.000 0.205 869 Q C 1.831 177.775 176.000 -0.093 0.000 0.896 869 Q CA -0.109 55.628 55.803 -0.109 0.000 0.950 869 Q CB 0.081 28.530 28.738 -0.482 0.000 1.054 869 Q HN 0.412 nan 8.270 nan 0.000 0.482 870 L N 0.236 121.356 121.223 -0.171 0.000 2.395 870 L HA -0.020 4.270 4.340 -0.084 0.000 0.218 870 L C 1.707 178.414 176.870 -0.271 0.000 1.130 870 L CA 1.661 56.344 54.840 -0.261 0.000 0.826 870 L CB -0.502 41.365 42.059 -0.321 0.000 0.941 870 L HN 0.093 nan 8.230 nan 0.000 0.451 871 T N -4.315 110.038 114.554 -0.336 0.000 3.072 871 T HA -0.067 4.233 4.350 -0.084 0.000 0.266 871 T C 1.347 175.803 174.700 -0.405 0.000 1.127 871 T CA 1.162 63.052 62.100 -0.349 0.000 1.107 871 T CB -0.616 67.989 68.868 -0.438 0.000 0.910 871 T HN 0.503 nan 8.240 nan 0.000 0.513 872 H N -0.005 119.007 119.070 -0.097 0.000 2.755 872 H HA 0.258 4.764 4.556 -0.083 0.000 0.273 872 H C 1.634 176.768 175.328 -0.323 0.000 1.055 872 H CA -0.196 55.741 56.048 -0.185 0.000 1.191 872 H CB -0.342 29.354 29.762 -0.111 0.000 1.536 872 H HN 0.578 nan 8.280 nan 0.000 0.529 873 F N 0.905 120.626 119.950 -0.383 0.000 2.101 873 F HA -0.389 4.088 4.527 -0.085 0.000 0.298 873 F C 2.302 177.890 175.800 -0.354 0.000 1.076 873 F CA 1.670 59.245 58.000 -0.709 0.000 1.248 873 F CB -0.853 37.242 39.000 -1.509 0.000 0.999 873 F HN 0.037 nan 8.300 nan 0.000 0.488 874 M N 1.064 119.776 119.600 -1.479 0.000 2.267 874 M HA -0.246 4.184 4.480 -0.084 0.000 0.263 874 M C 2.187 178.270 176.300 -0.362 0.000 1.063 874 M CA 2.198 56.947 55.300 -0.918 0.000 1.090 874 M CB -0.368 31.637 32.600 -0.991 0.000 1.392 874 M HN 0.681 nan 8.290 nan 0.000 0.422 875 Q N -0.925 118.720 119.800 -0.259 0.000 2.403 875 Q HA 0.052 4.342 4.340 -0.084 0.000 0.203 875 Q C 0.731 176.709 176.000 -0.037 0.000 0.932 875 Q CA 0.053 55.787 55.803 -0.115 0.000 0.945 875 Q CB -0.522 28.166 28.738 -0.083 0.000 1.045 875 Q HN 0.513 nan 8.270 nan 0.000 0.511 876 c N 2.625 121.228 118.600 0.005 0.000 2.633 876 c HA 0.219 4.739 4.570 -0.084 0.000 0.415 876 c C 1.196 175.326 174.090 0.066 0.000 1.393 876 c CA 1.008 57.405 56.329 0.112 0.000 1.700 876 c CB -0.233 42.459 42.510 0.303 0.000 2.541 876 c HN 0.662 nan 8.230 nan 0.000 0.603 877 T N 0.515 115.086 114.554 0.028 0.000 3.732 877 T HA 0.230 4.530 4.350 -0.084 0.000 0.317 877 T C -0.014 174.639 174.700 -0.079 0.000 0.896 877 T CA 0.504 62.594 62.100 -0.018 0.000 0.976 877 T CB -0.518 68.331 68.868 -0.032 0.000 1.195 877 T HN 1.060 nan 8.240 nan 0.000 0.594 878 E N 1.207 121.355 120.200 -0.087 0.000 2.833 878 E HA -0.162 4.138 4.350 -0.084 0.000 0.289 878 E C 0.254 176.605 176.600 -0.416 0.000 0.980 878 E CA 0.828 57.081 56.400 -0.245 0.000 0.897 878 E CB -2.160 27.367 29.700 -0.289 0.000 1.440 878 E HN 0.528 nan 8.360 nan 0.000 0.410 879 D N 0.154 120.448 120.400 -0.177 0.000 2.389 879 D HA -0.163 4.427 4.640 -0.084 0.000 0.221 879 D C 0.448 176.735 176.300 -0.022 0.000 0.974 879 D CA 1.450 55.388 54.000 -0.104 0.000 0.923 879 D CB -0.101 40.706 40.800 0.011 0.000 0.892 879 D HN 0.565 nan 8.370 nan 0.000 0.518 880 H N -3.007 116.071 119.070 0.014 0.000 3.433 880 H HA -0.112 4.394 4.556 -0.083 0.000 0.197 880 H C -1.425 174.202 175.328 0.498 0.000 1.059 880 H CA 1.129 57.229 56.048 0.086 0.000 1.185 880 H CB -1.701 28.040 29.762 -0.035 0.000 1.106 880 H HN 0.405 nan 8.280 nan 0.000 0.329 881 P HA 0.022 nan 4.420 nan 0.000 0.206 881 P C 0.811 178.300 177.300 0.314 0.000 1.136 881 P CA 1.083 64.382 63.100 0.331 0.000 0.905 881 P CB 0.293 32.119 31.700 0.211 0.000 0.754 882 H N 0.432 119.624 119.070 0.204 0.000 2.498 882 H HA 0.366 4.872 4.556 -0.084 0.000 0.239 882 H C -0.647 174.805 175.328 0.207 0.000 1.586 882 H CA -1.209 54.929 56.048 0.149 0.000 1.164 882 H CB -1.664 28.198 29.762 0.166 0.000 1.597 882 H HN -0.056 nan 8.280 nan 0.000 0.516 883 F N -0.409 119.543 119.950 0.003 0.000 2.458 883 F HA 0.753 5.230 4.527 -0.084 0.000 0.330 883 F C -0.421 175.343 175.800 -0.059 0.000 1.082 883 F CA -0.748 57.231 58.000 -0.036 0.000 0.995 883 F CB 1.441 40.453 39.000 0.021 0.000 1.170 883 F HN 0.050 nan 8.300 nan 0.000 0.478 884 E N 1.353 121.582 120.200 0.049 0.000 2.049 884 E HA 0.239 4.539 4.350 -0.084 0.000 0.196 884 E C -0.259 176.382 176.600 0.068 0.000 1.255 884 E CA -0.460 55.917 56.400 -0.039 0.000 0.906 884 E CB 0.425 30.053 29.700 -0.121 0.000 1.970 884 E HN 0.810 nan 8.360 nan 0.000 0.509 885 G N 1.469 110.275 108.800 0.011 0.000 3.392 885 G HA2 0.383 4.293 3.960 -0.084 0.000 0.247 885 G HA3 0.383 4.293 3.960 -0.084 0.000 0.247 885 G C -0.090 174.806 174.900 -0.007 0.000 1.161 885 G CA 0.402 45.511 45.100 0.014 0.000 1.739 885 G HN 0.056 nan 8.290 nan 0.000 0.619 886 L N -1.755 119.471 121.223 0.005 0.000 2.388 886 L HA 0.898 5.187 4.340 -0.084 0.000 0.264 886 L C -1.130 175.722 176.870 -0.030 0.000 0.998 886 L CA -1.645 53.172 54.840 -0.038 0.000 0.817 886 L CB 2.334 44.355 42.059 -0.064 0.000 1.338 886 L HN 0.091 nan 8.230 nan 0.000 0.414 887 D N -0.371 119.979 120.400 -0.083 0.000 2.457 887 D HA 0.384 4.974 4.640 -0.084 0.000 0.240 887 D C 0.358 176.594 176.300 -0.107 0.000 1.041 887 D CA -0.706 53.258 54.000 -0.060 0.000 0.861 887 D CB 1.695 42.469 40.800 -0.043 0.000 1.394 887 D HN 0.647 nan 8.370 nan 0.000 0.473 888 c N 0.738 119.340 118.600 0.002 0.000 2.413 888 c HA -0.087 4.433 4.570 -0.084 0.000 0.292 888 c C 1.806 175.946 174.090 0.084 0.000 1.435 888 c CA 0.665 57.066 56.329 0.120 0.000 1.791 888 c CB -1.416 41.194 42.510 0.165 0.000 1.784 888 c HN 0.808 nan 8.230 nan 0.000 0.548 889 E N 0.102 120.297 120.200 -0.008 0.000 2.476 889 E HA 0.113 4.413 4.350 -0.084 0.000 0.191 889 E C 1.691 178.271 176.600 -0.033 0.000 1.064 889 E CA -0.072 56.331 56.400 0.005 0.000 0.866 889 E CB -0.065 29.632 29.700 -0.004 0.000 0.952 889 E HN 0.717 nan 8.360 nan 0.000 0.492 890 I N 0.198 120.667 120.570 -0.167 0.000 3.419 890 I HA -0.045 4.074 4.170 -0.084 0.000 0.286 890 I C 0.134 176.243 176.117 -0.014 0.000 1.268 890 I CA 0.257 61.473 61.300 -0.140 0.000 1.414 890 I CB 0.199 38.047 38.000 -0.254 0.000 1.074 890 I HN 0.097 nan 8.210 nan 0.000 0.457 891 F N 0.809 120.892 119.950 0.220 0.000 2.664 891 F HA 0.205 4.681 4.527 -0.085 0.000 0.301 891 F C 1.683 177.543 175.800 0.100 0.000 1.126 891 F CA 0.107 58.188 58.000 0.134 0.000 1.373 891 F CB -0.184 38.806 39.000 -0.017 0.000 1.042 891 F HN 0.103 nan 8.300 nan 0.000 0.535 892 E N -0.073 120.244 120.200 0.194 0.000 2.485 892 E HA 0.296 4.596 4.350 -0.084 0.000 0.213 892 E C 1.030 177.632 176.600 0.002 0.000 0.923 892 E CA -0.086 56.365 56.400 0.086 0.000 1.054 892 E CB 0.358 30.086 29.700 0.047 0.000 1.077 892 E HN 0.140 nan 8.360 nan 0.000 0.509 893 A N 2.961 125.766 122.820 -0.025 0.000 2.615 893 A HA -0.091 4.179 4.320 -0.084 0.000 0.240 893 A C -1.730 175.652 177.584 -0.336 0.000 1.003 893 A CA -0.329 51.578 52.037 -0.217 0.000 0.778 893 A CB 0.010 18.776 19.000 -0.389 0.000 0.907 893 A HN -0.046 nan 8.150 nan 0.000 0.507 894 P HA -0.103 nan 4.420 nan 0.000 0.219 894 P C 1.363 178.411 177.300 -0.420 0.000 1.154 894 P CA 1.195 64.126 63.100 -0.282 0.000 0.826 894 P CB 0.117 31.707 31.700 -0.184 0.000 0.795 895 E N 0.427 120.261 120.200 -0.611 0.000 2.118 895 E HA -0.153 4.147 4.350 -0.084 0.000 0.195 895 E C -0.807 175.227 176.600 -0.942 0.000 0.992 895 E CA 1.690 57.652 56.400 -0.730 0.000 0.804 895 E CB -2.792 26.463 29.700 -0.741 0.000 0.741 895 E HN 0.345 nan 8.360 nan 0.000 0.458 896 P HA -0.136 nan 4.420 nan 0.000 0.213 896 P C 1.940 179.009 177.300 -0.384 0.000 1.170 896 P CA 1.487 64.051 63.100 -0.893 0.000 0.898 896 P CB -0.284 30.764 31.700 -1.087 0.000 0.787 897 M N -0.913 118.509 119.600 -0.297 0.000 2.267 897 M HA -0.098 4.332 4.480 -0.084 0.000 0.263 897 M C 1.801 178.036 176.300 -0.107 0.000 1.063 897 M CA 1.947 57.169 55.300 -0.131 0.000 1.090 897 M CB -1.170 31.377 32.600 -0.089 0.000 1.392 897 M HN -0.021 nan 8.290 nan 0.000 0.422 898 T N -0.476 113.970 114.554 -0.180 0.000 3.035 898 T HA 0.082 4.382 4.350 -0.084 0.000 0.259 898 T C 1.702 176.326 174.700 -0.126 0.000 1.078 898 T CA 0.611 62.639 62.100 -0.119 0.000 1.132 898 T CB 0.106 68.882 68.868 -0.153 0.000 0.900 898 T HN 0.220 nan 8.240 nan 0.000 0.480 899 M N 1.030 120.525 119.600 -0.174 0.000 2.492 899 M HA 0.305 4.735 4.480 -0.084 0.000 0.262 899 M C 2.151 178.403 176.300 -0.080 0.000 1.090 899 M CA 0.247 55.470 55.300 -0.127 0.000 1.110 899 M CB -0.951 31.629 32.600 -0.033 0.000 1.407 899 M HN 0.283 nan 8.290 nan 0.000 0.470 900 A N 0.070 122.857 122.820 -0.055 0.000 1.865 900 A HA -0.055 4.214 4.320 -0.084 0.000 0.216 900 A C 1.897 179.488 177.584 0.011 0.000 1.315 900 A CA 0.739 52.768 52.037 -0.014 0.000 0.605 900 A CB -1.243 17.757 19.000 0.001 0.000 0.984 900 A HN 0.346 nan 8.150 nan 0.000 0.470 901 L N 0.563 121.817 121.223 0.051 0.000 2.123 901 L HA -0.221 4.069 4.340 -0.084 0.000 0.217 901 L C 2.412 179.368 176.870 0.143 0.000 1.081 901 L CA 2.890 57.806 54.840 0.127 0.000 0.772 901 L CB -0.817 41.364 42.059 0.203 0.000 0.890 901 L HN 0.407 nan 8.230 nan 0.000 0.437 902 S N -2.101 113.678 115.700 0.132 0.000 2.428 902 S HA -0.072 4.348 4.470 -0.084 0.000 0.230 902 S C 1.869 176.445 174.600 -0.041 0.000 1.014 902 S CA 1.042 59.318 58.200 0.126 0.000 0.957 902 S CB -0.250 62.907 63.200 -0.072 0.000 0.784 902 S HN 0.331 nan 8.310 nan 0.000 0.499 903 V N 2.243 122.125 119.914 -0.053 0.000 2.323 903 V HA -0.052 4.018 4.120 -0.084 0.000 0.244 903 V C 2.359 178.455 176.094 0.003 0.000 1.041 903 V CA 1.350 63.628 62.300 -0.037 0.000 1.025 903 V CB -0.613 31.183 31.823 -0.044 0.000 0.656 903 V HN 0.423 nan 8.190 nan 0.000 0.451 904 L N 0.392 121.618 121.223 0.005 0.000 1.934 904 L HA -0.194 4.096 4.340 -0.084 0.000 0.227 904 L C 2.484 179.352 176.870 -0.004 0.000 1.084 904 L CA 2.261 57.105 54.840 0.007 0.000 0.790 904 L CB -1.310 40.761 42.059 0.019 0.000 0.896 904 L HN 0.171 nan 8.230 nan 0.000 0.437 905 V N -0.508 119.386 119.914 -0.032 0.000 2.236 905 V HA -0.436 3.633 4.120 -0.084 0.000 0.255 905 V C 2.603 178.691 176.094 -0.010 0.000 1.068 905 V CA 2.638 64.895 62.300 -0.073 0.000 1.044 905 V CB -1.239 30.436 31.823 -0.247 0.000 0.653 905 V HN 0.641 nan 8.190 nan 0.000 0.448 906 T N -0.980 113.601 114.554 0.045 0.000 2.788 906 T HA -0.151 4.149 4.350 -0.084 0.000 0.268 906 T C 1.779 176.525 174.700 0.077 0.000 1.044 906 T CA 1.795 63.961 62.100 0.110 0.000 1.139 906 T CB -0.314 68.691 68.868 0.227 0.000 0.867 906 T HN 0.435 nan 8.240 nan 0.000 0.454 907 I N 0.572 121.179 120.570 0.062 0.000 2.226 907 I HA -0.123 3.997 4.170 -0.084 0.000 0.245 907 I C 2.410 178.557 176.117 0.051 0.000 1.100 907 I CA 1.539 62.878 61.300 0.064 0.000 1.374 907 I CB -0.088 37.961 38.000 0.081 0.000 1.057 907 I HN 0.281 nan 8.210 nan 0.000 0.413 908 E N 0.095 120.319 120.200 0.040 0.000 2.051 908 E HA -0.239 4.061 4.350 -0.084 0.000 0.192 908 E C 2.159 178.841 176.600 0.136 0.000 0.991 908 E CA 1.382 57.818 56.400 0.061 0.000 0.799 908 E CB -0.198 29.515 29.700 0.021 0.000 0.748 908 E HN 0.437 nan 8.360 nan 0.000 0.449 909 M N 0.323 119.971 119.600 0.080 0.000 2.159 909 M HA -0.140 4.290 4.480 -0.084 0.000 0.263 909 M C 2.478 178.801 176.300 0.038 0.000 1.063 909 M CA 0.962 56.291 55.300 0.049 0.000 1.110 909 M CB -1.392 31.215 32.600 0.012 0.000 1.374 909 M HN 0.227 nan 8.290 nan 0.000 0.411 910 C N 0.604 119.929 119.300 0.043 0.000 2.422 910 C HA -0.127 4.283 4.460 -0.084 0.000 0.279 910 C C 2.629 177.633 174.990 0.022 0.000 1.305 910 C CA 1.105 60.138 59.018 0.026 0.000 1.757 910 C CB -1.429 26.327 27.740 0.026 0.000 1.962 910 C HN 0.614 nan 8.230 nan 0.000 0.499 911 N N 1.078 119.811 118.700 0.055 0.000 2.207 911 N HA -0.010 4.680 4.740 -0.084 0.000 0.182 911 N C 1.779 177.371 175.510 0.138 0.000 1.020 911 N CA 1.568 54.663 53.050 0.076 0.000 0.858 911 N CB -0.359 38.170 38.487 0.070 0.000 0.991 911 N HN 0.381 nan 8.380 nan 0.000 0.427 912 A N 0.686 123.607 122.820 0.168 0.000 1.986 912 A HA -0.102 4.168 4.320 -0.084 0.000 0.220 912 A C 2.167 179.671 177.584 -0.132 0.000 1.171 912 A CA 0.952 52.881 52.037 -0.180 0.000 0.640 912 A CB -0.844 17.897 19.000 -0.432 0.000 0.811 912 A HN 0.396 nan 8.150 nan 0.000 0.451 913 L N -0.290 120.900 121.223 -0.054 0.000 2.456 913 L HA -0.114 4.176 4.340 -0.084 0.000 0.224 913 L C 1.569 178.416 176.870 -0.038 0.000 1.148 913 L CA 0.529 55.339 54.840 -0.050 0.000 0.825 913 L CB -0.368 41.671 42.059 -0.032 0.000 0.937 913 L HN 0.404 nan 8.230 nan 0.000 0.450 914 N N -1.158 117.533 118.700 -0.015 0.000 2.422 914 N HA -0.012 4.678 4.740 -0.084 0.000 0.181 914 N C 1.038 176.551 175.510 0.005 0.000 1.080 914 N CA 0.410 53.458 53.050 -0.003 0.000 0.893 914 N CB 0.445 38.935 38.487 0.004 0.000 0.973 914 N HN 0.076 nan 8.380 nan 0.000 0.456 915 S N 0.704 116.400 115.700 -0.007 0.000 2.602 915 S HA 0.286 4.706 4.470 -0.084 0.000 0.246 915 S C 1.564 176.153 174.600 -0.018 0.000 1.009 915 S CA -0.209 57.991 58.200 -0.000 0.000 1.052 915 S CB 0.040 63.239 63.200 -0.002 0.000 0.778 915 S HN 0.233 nan 8.310 nan 0.000 0.455 916 L N 1.194 122.402 121.223 -0.024 0.000 2.307 916 L HA 0.182 4.471 4.340 -0.084 0.000 0.211 916 L C 0.799 177.661 176.870 -0.013 0.000 1.099 916 L CA 0.309 55.132 54.840 -0.029 0.000 0.816 916 L CB 0.162 42.189 42.059 -0.053 0.000 0.952 916 L HN 0.401 nan 8.230 nan 0.000 0.455 917 S N -2.636 113.065 115.700 0.001 0.000 2.560 917 S HA 0.199 4.619 4.470 -0.084 0.000 0.283 917 S C 0.250 174.875 174.600 0.042 0.000 1.141 917 S CA -0.873 57.337 58.200 0.017 0.000 0.902 917 S CB 1.399 64.602 63.200 0.005 0.000 1.104 917 S HN -0.063 nan 8.310 nan 0.000 0.454 918 E N 2.934 123.172 120.200 0.062 0.000 2.035 918 E HA -0.180 4.120 4.350 -0.084 0.000 0.204 918 E C 0.496 177.162 176.600 0.111 0.000 1.025 918 E CA 1.695 58.154 56.400 0.097 0.000 0.835 918 E CB -0.298 29.474 29.700 0.120 0.000 0.764 918 E HN 0.842 nan 8.360 nan 0.000 0.457 919 N N 0.469 119.225 118.700 0.094 0.000 2.467 919 N HA 0.063 4.753 4.740 -0.084 0.000 0.278 919 N C -0.192 175.356 175.510 0.063 0.000 1.306 919 N CA -0.217 52.891 53.050 0.097 0.000 0.905 919 N CB 0.786 39.328 38.487 0.092 0.000 1.236 919 N HN 0.031 nan 8.380 nan 0.000 0.509 920 Q N 0.205 120.034 119.800 0.049 0.000 2.333 920 Q HA 0.357 4.647 4.340 -0.084 0.000 0.266 920 Q C -0.242 175.776 176.000 0.030 0.000 1.053 920 Q CA -0.344 55.477 55.803 0.029 0.000 0.890 920 Q CB 1.871 30.613 28.738 0.007 0.000 1.337 920 Q HN 0.058 nan 8.270 nan 0.000 0.474 921 S N -0.424 115.288 115.700 0.019 0.000 2.672 921 S HA 0.346 4.766 4.470 -0.084 0.000 0.276 921 S C 1.034 175.613 174.600 -0.034 0.000 1.207 921 S CA -0.467 57.741 58.200 0.013 0.000 1.002 921 S CB 0.381 63.597 63.200 0.027 0.000 0.998 921 S HN 0.559 nan 8.310 nan 0.000 0.542 922 L N 2.490 123.686 121.223 -0.046 0.000 2.478 922 L HA 0.051 4.341 4.340 -0.084 0.000 0.223 922 L C 2.143 178.935 176.870 -0.128 0.000 1.140 922 L CA 0.413 55.193 54.840 -0.101 0.000 0.842 922 L CB -0.280 41.731 42.059 -0.080 0.000 0.953 922 L HN 0.728 nan 8.230 nan 0.000 0.452 923 M N -0.288 119.271 119.600 -0.068 0.000 2.134 923 M HA -0.120 4.310 4.480 -0.084 0.000 0.262 923 M C 2.197 178.459 176.300 -0.063 0.000 1.076 923 M CA 1.645 56.915 55.300 -0.051 0.000 1.143 923 M CB -0.015 32.581 32.600 -0.006 0.000 1.346 923 M HN -0.114 nan 8.290 nan 0.000 0.421 924 R N -0.506 119.967 120.500 -0.046 0.000 2.307 924 R HA 0.206 4.495 4.340 -0.084 0.000 0.199 924 R C -0.500 175.755 176.300 -0.075 0.000 1.000 924 R CA 0.783 56.859 56.100 -0.039 0.000 1.023 924 R CB 0.024 30.315 30.300 -0.014 0.000 0.908 924 R HN 0.340 nan 8.270 nan 0.000 0.473 925 M N 0.661 120.182 119.600 -0.133 0.000 2.302 925 M HA 0.270 4.699 4.480 -0.084 0.000 0.207 925 M C -2.491 173.612 176.300 -0.329 0.000 1.016 925 M CA -1.866 53.321 55.300 -0.188 0.000 0.941 925 M CB 2.401 34.932 32.600 -0.114 0.000 2.701 925 M HN -0.228 nan 8.290 nan 0.000 0.377 926 P HA -0.004 nan 4.420 nan 0.000 0.269 926 P C -1.831 175.014 177.300 -0.759 0.000 1.211 926 P CA -0.527 61.965 63.100 -1.012 0.000 0.781 926 P CB 0.033 30.247 31.700 -2.477 0.000 0.877 927 P HA -0.160 nan 4.420 nan 0.000 0.219 927 P C 0.856 178.121 177.300 -0.058 0.000 1.146 927 P CA 1.642 64.634 63.100 -0.179 0.000 0.808 927 P CB -0.418 31.258 31.700 -0.039 0.000 0.779 928 W N -0.396 120.913 121.300 0.015 0.000 2.825 928 W HA 0.124 4.734 4.660 -0.084 0.000 0.243 928 W C 1.397 177.938 176.519 0.037 0.000 1.293 928 W CA -0.162 57.195 57.345 0.021 0.000 1.403 928 W CB -1.923 27.545 29.460 0.014 0.000 1.134 928 W HN -0.321 nan 8.180 nan 0.000 0.666 929 V N 1.943 121.800 119.914 -0.094 0.000 2.282 929 V HA -0.320 3.749 4.120 -0.084 0.000 0.249 929 V C 1.306 177.459 176.094 0.098 0.000 1.057 929 V CA 2.284 64.578 62.300 -0.010 0.000 1.032 929 V CB -0.980 30.775 31.823 -0.114 0.000 0.645 929 V HN 0.411 nan 8.190 nan 0.000 0.447 930 N N 0.126 118.879 118.700 0.089 0.000 2.444 930 N HA 0.185 4.875 4.740 -0.084 0.000 0.262 930 N C 0.479 176.104 175.510 0.191 0.000 0.974 930 N CA -0.317 52.822 53.050 0.147 0.000 0.933 930 N CB 1.455 40.006 38.487 0.106 0.000 1.137 930 N HN 0.001 nan 8.380 nan 0.000 0.498 931 I N 2.455 123.186 120.570 0.268 0.000 2.193 931 I HA -0.126 3.994 4.170 -0.084 0.000 0.240 931 I C 1.322 177.551 176.117 0.186 0.000 1.084 931 I CA 0.827 62.252 61.300 0.208 0.000 1.365 931 I CB -0.912 37.188 38.000 0.167 0.000 1.064 931 I HN 0.585 nan 8.210 nan 0.000 0.410 932 W N 0.908 122.181 121.300 -0.045 0.000 2.303 932 W HA -0.250 4.358 4.660 -0.085 0.000 0.287 932 W C 2.403 178.857 176.519 -0.108 0.000 1.213 932 W CA 0.841 58.113 57.345 -0.121 0.000 1.203 932 W CB -1.309 28.000 29.460 -0.251 0.000 1.136 932 W HN 0.136 nan 8.180 nan 0.000 0.547 933 L N 0.184 121.499 121.223 0.155 0.000 1.973 933 L HA -0.146 4.144 4.340 -0.084 0.000 0.208 933 L C 2.307 179.178 176.870 0.000 0.000 1.073 933 L CA 1.883 56.748 54.840 0.041 0.000 0.746 933 L CB -1.323 40.746 42.059 0.018 0.000 0.891 933 L HN -0.035 nan 8.230 nan 0.000 0.433 934 L N -0.379 120.856 121.223 0.020 0.000 2.034 934 L HA -0.255 4.034 4.340 -0.084 0.000 0.217 934 L C 2.510 179.355 176.870 -0.042 0.000 1.077 934 L CA 1.641 56.481 54.840 0.000 0.000 0.769 934 L CB -2.002 40.079 42.059 0.035 0.000 0.890 934 L HN 0.539 nan 8.230 nan 0.000 0.435 935 G N 0.456 109.224 108.800 -0.054 0.000 2.639 935 G HA2 -0.358 3.552 3.960 -0.084 0.000 0.216 935 G HA3 -0.358 3.552 3.960 -0.084 0.000 0.216 935 G C 1.749 176.579 174.900 -0.118 0.000 1.267 935 G CA 1.677 46.711 45.100 -0.110 0.000 0.801 935 G HN 0.520 nan 8.290 nan 0.000 0.592 936 S N 0.775 116.410 115.700 -0.108 0.000 2.392 936 S HA -0.191 4.228 4.470 -0.084 0.000 0.232 936 S C 2.327 176.853 174.600 -0.124 0.000 1.041 936 S CA 1.604 59.725 58.200 -0.133 0.000 1.026 936 S CB -0.514 62.622 63.200 -0.107 0.000 0.845 936 S HN 0.408 nan 8.310 nan 0.000 0.465 937 I N 1.357 121.868 120.570 -0.099 0.000 2.076 937 I HA -0.237 3.883 4.170 -0.084 0.000 0.237 937 I C 2.830 178.879 176.117 -0.114 0.000 1.059 937 I CA 1.528 62.772 61.300 -0.094 0.000 1.317 937 I CB -1.046 36.911 38.000 -0.072 0.000 1.037 937 I HN 0.429 nan 8.210 nan 0.000 0.398 938 C N 0.583 119.812 119.300 -0.119 0.000 2.393 938 C HA -0.208 4.201 4.460 -0.084 0.000 0.276 938 C C 2.750 177.651 174.990 -0.149 0.000 1.215 938 C CA 0.615 59.544 59.018 -0.147 0.000 1.743 938 C CB -1.234 26.425 27.740 -0.135 0.000 2.044 938 C HN 0.536 nan 8.230 nan 0.000 0.464 939 L N 0.931 122.068 121.223 -0.143 0.000 2.263 939 L HA -0.138 4.152 4.340 -0.084 0.000 0.216 939 L C 2.239 179.031 176.870 -0.129 0.000 1.111 939 L CA 1.911 56.664 54.840 -0.144 0.000 0.773 939 L CB -0.489 41.461 42.059 -0.182 0.000 0.906 939 L HN 0.306 nan 8.230 nan 0.000 0.439 940 S N -1.930 113.693 115.700 -0.129 0.000 2.460 940 S HA 0.009 4.429 4.470 -0.084 0.000 0.226 940 S C 1.717 176.288 174.600 -0.048 0.000 1.057 940 S CA 0.718 58.852 58.200 -0.110 0.000 0.948 940 S CB 0.073 63.188 63.200 -0.141 0.000 0.822 940 S HN 0.394 nan 8.310 nan 0.000 0.512 941 M N 2.296 121.835 119.600 -0.101 0.000 2.144 941 M HA -0.093 4.337 4.480 -0.084 0.000 0.260 941 M C 1.944 178.124 176.300 -0.200 0.000 1.067 941 M CA 1.376 56.586 55.300 -0.150 0.000 1.095 941 M CB -0.678 31.753 32.600 -0.281 0.000 1.365 941 M HN 0.154 nan 8.290 nan 0.000 0.406 942 S N -0.006 115.582 115.700 -0.186 0.000 2.343 942 S HA -0.112 4.308 4.470 -0.084 0.000 0.219 942 S C 1.626 176.255 174.600 0.048 0.000 1.033 942 S CA 1.318 59.434 58.200 -0.140 0.000 1.014 942 S CB -0.597 62.536 63.200 -0.112 0.000 0.915 942 S HN 0.398 nan 8.310 nan 0.000 0.435 943 L N 1.154 122.446 121.223 0.114 0.000 2.357 943 L HA -0.148 4.142 4.340 -0.084 0.000 0.220 943 L C 1.991 179.208 176.870 0.578 0.000 1.123 943 L CA 1.568 56.588 54.840 0.300 0.000 0.782 943 L CB -0.844 41.375 42.059 0.266 0.000 0.910 943 L HN 0.377 nan 8.230 nan 0.000 0.442 944 H N -2.088 117.228 119.070 0.409 0.000 2.306 944 H HA -0.060 4.445 4.556 -0.085 0.000 0.307 944 H C 2.014 177.585 175.328 0.405 0.000 1.061 944 H CA 1.279 57.654 56.048 0.544 0.000 1.359 944 H CB -0.127 29.946 29.762 0.519 0.000 1.407 944 H HN 0.102 nan 8.280 nan 0.000 0.517 945 F N 0.862 120.842 119.950 0.052 0.000 2.120 945 F HA -0.213 4.263 4.527 -0.085 0.000 0.300 945 F C 2.681 178.377 175.800 -0.173 0.000 1.095 945 F CA 1.294 59.179 58.000 -0.192 0.000 1.249 945 F CB -1.195 37.582 39.000 -0.372 0.000 0.995 945 F HN 0.269 nan 8.300 nan 0.000 0.480 946 L N -0.761 120.524 121.223 0.103 0.000 2.127 946 L HA -0.209 4.081 4.340 -0.084 0.000 0.211 946 L C 2.247 179.063 176.870 -0.089 0.000 1.089 946 L CA 1.243 56.093 54.840 0.017 0.000 0.757 946 L CB -0.358 41.724 42.059 0.037 0.000 0.899 946 L HN 0.076 nan 8.230 nan 0.000 0.434 947 I N -0.451 119.995 120.570 -0.206 0.000 2.500 947 I HA -0.201 3.919 4.170 -0.084 0.000 0.252 947 I C 2.045 177.945 176.117 -0.362 0.000 1.142 947 I CA 1.278 62.263 61.300 -0.525 0.000 1.451 947 I CB -0.048 37.329 38.000 -1.039 0.000 1.093 947 I HN 0.200 nan 8.210 nan 0.000 0.430 948 L N -1.486 119.647 121.223 -0.150 0.000 2.095 948 L HA -0.147 4.143 4.340 -0.084 0.000 0.204 948 L C 1.928 178.897 176.870 0.166 0.000 1.080 948 L CA 1.037 55.900 54.840 0.039 0.000 0.759 948 L CB -0.587 41.627 42.059 0.257 0.000 0.914 948 L HN 0.198 nan 8.230 nan 0.000 0.439 949 Y N -1.046 119.180 120.300 -0.123 0.000 2.509 949 Y HA 0.123 4.622 4.550 -0.085 0.000 0.270 949 Y C 1.148 176.991 175.900 -0.095 0.000 1.103 949 Y CA -0.701 57.338 58.100 -0.103 0.000 1.278 949 Y CB -0.231 38.168 38.460 -0.101 0.000 1.087 949 Y HN -0.247 nan 8.280 nan 0.000 0.542 950 V N 2.243 122.188 119.914 0.052 0.000 2.287 950 V HA -0.035 4.035 4.120 -0.084 0.000 0.246 950 V C 0.895 176.956 176.094 -0.054 0.000 1.165 950 V CA -0.140 62.154 62.300 -0.010 0.000 1.088 950 V CB -0.184 31.620 31.823 -0.032 0.000 1.242 950 V HN 0.247 nan 8.190 nan 0.000 0.497 951 D N 5.743 126.115 120.400 -0.047 0.000 2.565 951 D HA -0.225 4.364 4.640 -0.084 0.000 0.189 951 D C -0.278 175.986 176.300 -0.060 0.000 1.052 951 D CA 2.585 56.550 54.000 -0.058 0.000 0.889 951 D CB -0.288 40.484 40.800 -0.047 0.000 0.911 951 D HN 0.509 nan 8.370 nan 0.000 0.464 952 P HA -0.072 nan 4.420 nan 0.000 0.234 952 P C 1.134 178.395 177.300 -0.065 0.000 1.167 952 P CA 0.933 64.004 63.100 -0.049 0.000 0.763 952 P CB 0.114 31.790 31.700 -0.040 0.000 0.835 953 L N 0.227 121.382 121.223 -0.114 0.000 2.541 953 L HA 0.202 4.492 4.340 -0.084 0.000 0.187 953 L C -0.529 176.213 176.870 -0.214 0.000 1.098 953 L CA 0.285 55.009 54.840 -0.193 0.000 0.846 953 L CB -1.893 39.965 42.059 -0.336 0.000 1.151 953 L HN -0.177 nan 8.230 nan 0.000 0.492 954 P HA -0.237 nan 4.420 nan 0.000 0.223 954 P C 1.536 178.799 177.300 -0.061 0.000 1.140 954 P CA 1.552 64.552 63.100 -0.166 0.000 0.783 954 P CB 0.022 31.638 31.700 -0.140 0.000 0.759 955 M N -0.759 118.817 119.600 -0.040 0.000 2.248 955 M HA 0.022 4.452 4.480 -0.084 0.000 0.265 955 M C 2.170 178.504 176.300 0.057 0.000 1.079 955 M CA 0.984 56.283 55.300 -0.001 0.000 1.150 955 M CB -0.803 31.792 32.600 -0.008 0.000 1.366 955 M HN -0.096 nan 8.290 nan 0.000 0.433 956 I N -0.781 119.849 120.570 0.101 0.000 2.315 956 I HA -0.262 3.858 4.170 -0.084 0.000 0.248 956 I C 1.144 177.429 176.117 0.279 0.000 1.117 956 I CA 0.931 62.346 61.300 0.192 0.000 1.404 956 I CB -0.425 37.727 38.000 0.252 0.000 1.071 956 I HN 0.052 nan 8.210 nan 0.000 0.419 957 F N 1.618 121.517 119.950 -0.085 0.000 2.731 957 F HA 0.143 4.620 4.527 -0.083 0.000 0.304 957 F C 1.087 176.838 175.800 -0.081 0.000 1.133 957 F CA -0.432 57.505 58.000 -0.105 0.000 1.380 957 F CB -1.032 37.840 39.000 -0.213 0.000 1.079 957 F HN -0.029 nan 8.300 nan 0.000 0.550 958 K N 0.367 120.823 120.400 0.093 0.000 2.975 958 K HA -0.224 4.046 4.320 -0.084 0.000 0.257 958 K C -0.178 176.414 176.600 -0.014 0.000 1.005 958 K CA 0.351 56.651 56.287 0.021 0.000 0.738 958 K CB -1.634 30.870 32.500 0.008 0.000 1.236 958 K HN 0.324 nan 8.250 nan 0.000 0.483 959 L N -0.402 120.819 121.223 -0.004 0.000 2.331 959 L HA 0.554 4.844 4.340 -0.084 0.000 0.268 959 L C -0.107 176.706 176.870 -0.095 0.000 1.015 959 L CA -1.145 53.663 54.840 -0.054 0.000 0.807 959 L CB 1.413 43.452 42.059 -0.033 0.000 1.293 959 L HN -0.147 nan 8.230 nan 0.000 0.451 960 K N 1.217 121.541 120.400 -0.125 0.000 2.716 960 K HA 0.510 4.780 4.320 -0.084 0.000 0.249 960 K C -0.799 175.716 176.600 -0.141 0.000 1.004 960 K CA -0.252 55.952 56.287 -0.138 0.000 0.968 960 K CB 1.485 33.891 32.500 -0.156 0.000 1.214 960 K HN 0.617 nan 8.250 nan 0.000 0.476 961 A N 4.164 126.884 122.820 -0.167 0.000 2.616 961 A HA 0.023 4.293 4.320 -0.084 0.000 0.242 961 A C -0.415 177.078 177.584 -0.152 0.000 0.987 961 A CA 0.663 52.563 52.037 -0.228 0.000 0.800 961 A CB -0.340 18.288 19.000 -0.621 0.000 0.883 961 A HN 0.654 nan 8.150 nan 0.000 0.496 962 L N 2.276 123.502 121.223 0.005 0.000 2.344 962 L HA 0.487 4.777 4.340 -0.084 0.000 0.272 962 L C 0.467 177.449 176.870 0.186 0.000 1.035 962 L CA -0.689 54.175 54.840 0.040 0.000 0.807 962 L CB 1.510 43.500 42.059 -0.114 0.000 1.237 962 L HN 0.899 nan 8.230 nan 0.000 0.442 963 D N 0.308 120.795 120.400 0.145 0.000 2.466 963 D HA 0.154 4.744 4.640 -0.084 0.000 0.262 963 D C 0.844 177.297 176.300 0.256 0.000 1.177 963 D CA -0.675 53.424 54.000 0.165 0.000 1.035 963 D CB 0.576 41.426 40.800 0.083 0.000 1.105 963 D HN 0.270 nan 8.370 nan 0.000 0.551 964 L N -0.216 121.123 121.223 0.193 0.000 2.189 964 L HA -0.138 4.152 4.340 -0.084 0.000 0.214 964 L C 1.790 178.779 176.870 0.197 0.000 1.097 964 L CA 2.308 57.263 54.840 0.191 0.000 0.764 964 L CB -1.092 41.036 42.059 0.114 0.000 0.900 964 L HN 0.711 nan 8.230 nan 0.000 0.436 965 T N -3.132 111.518 114.554 0.161 0.000 2.976 965 T HA -0.086 4.214 4.350 -0.084 0.000 0.257 965 T C 1.704 176.503 174.700 0.166 0.000 1.051 965 T CA 0.654 62.843 62.100 0.148 0.000 1.141 965 T CB -0.225 68.716 68.868 0.122 0.000 0.881 965 T HN 0.395 nan 8.240 nan 0.000 0.461 966 Q N -0.709 119.189 119.800 0.164 0.000 2.436 966 Q HA 0.013 4.303 4.340 -0.084 0.000 0.209 966 Q C 1.275 177.284 176.000 0.016 0.000 0.965 966 Q CA 0.798 56.669 55.803 0.113 0.000 0.910 966 Q CB -0.064 28.725 28.738 0.085 0.000 0.980 966 Q HN 0.663 nan 8.270 nan 0.000 0.491 967 W N -0.640 120.715 121.300 0.092 0.000 2.915 967 W HA 0.190 4.798 4.660 -0.086 0.000 0.276 967 W C 1.560 178.129 176.519 0.082 0.000 1.215 967 W CA -0.272 57.134 57.345 0.101 0.000 1.514 967 W CB 0.414 29.935 29.460 0.101 0.000 1.017 967 W HN 0.028 nan 8.180 nan 0.000 0.598 968 L N 0.631 122.023 121.223 0.281 0.000 2.395 968 L HA -0.112 4.178 4.340 -0.084 0.000 0.218 968 L C 2.053 178.971 176.870 0.080 0.000 1.130 968 L CA 0.722 55.669 54.840 0.179 0.000 0.826 968 L CB -0.016 42.125 42.059 0.136 0.000 0.941 968 L HN 0.050 nan 8.230 nan 0.000 0.451 969 M N -0.967 118.649 119.600 0.027 0.000 2.102 969 M HA -0.096 4.334 4.480 -0.084 0.000 0.259 969 M C 2.023 178.250 176.300 -0.122 0.000 1.083 969 M CA 1.837 57.053 55.300 -0.140 0.000 1.141 969 M CB -0.440 32.026 32.600 -0.224 0.000 1.318 969 M HN -0.045 nan 8.290 nan 0.000 0.421 970 V N 0.825 120.678 119.914 -0.102 0.000 2.357 970 V HA -0.332 3.738 4.120 -0.084 0.000 0.257 970 V C 2.437 178.548 176.094 0.028 0.000 1.082 970 V CA 2.025 64.268 62.300 -0.095 0.000 1.078 970 V CB -1.101 30.574 31.823 -0.246 0.000 0.663 970 V HN 0.512 nan 8.190 nan 0.000 0.455 971 L N -0.301 120.990 121.223 0.113 0.000 1.973 971 L HA -0.145 4.145 4.340 -0.084 0.000 0.208 971 L C 2.448 179.350 176.870 0.054 0.000 1.073 971 L CA 2.191 57.106 54.840 0.126 0.000 0.746 971 L CB -0.662 41.492 42.059 0.157 0.000 0.891 971 L HN 0.192 nan 8.230 nan 0.000 0.433 972 K N -0.808 119.600 120.400 0.012 0.000 2.442 972 K HA -0.151 4.119 4.320 -0.084 0.000 0.198 972 K C 1.857 178.440 176.600 -0.028 0.000 1.044 972 K CA 0.658 56.935 56.287 -0.016 0.000 0.948 972 K CB 0.044 32.512 32.500 -0.053 0.000 0.762 972 K HN 0.232 nan 8.250 nan 0.000 0.472 973 I N -0.125 120.418 120.570 -0.045 0.000 2.867 973 I HA -0.080 4.040 4.170 -0.084 0.000 0.265 973 I C 1.196 177.359 176.117 0.075 0.000 1.162 973 I CA 1.116 62.395 61.300 -0.035 0.000 1.471 973 I CB 0.094 38.025 38.000 -0.115 0.000 1.123 973 I HN 0.040 nan 8.210 nan 0.000 0.440 974 S N 0.287 116.032 115.700 0.075 0.000 2.499 974 S HA 0.044 4.464 4.470 -0.084 0.000 0.225 974 S C 1.655 176.302 174.600 0.079 0.000 1.050 974 S CA -0.110 58.157 58.200 0.112 0.000 0.928 974 S CB 0.139 63.392 63.200 0.087 0.000 0.803 974 S HN 0.221 nan 8.310 nan 0.000 0.506 975 L N 3.232 124.489 121.223 0.058 0.000 2.191 975 L HA 0.042 4.332 4.340 -0.084 0.000 0.212 975 L C -1.237 175.629 176.870 -0.006 0.000 1.103 975 L CA 1.343 56.201 54.840 0.030 0.000 0.769 975 L CB -1.081 41.001 42.059 0.038 0.000 0.908 975 L HN 0.172 nan 8.230 nan 0.000 0.438 976 P HA -0.084 nan 4.420 nan 0.000 0.242 976 P C 1.773 178.939 177.300 -0.223 0.000 1.197 976 P CA 0.630 63.697 63.100 -0.056 0.000 0.765 976 P CB 0.061 31.776 31.700 0.026 0.000 0.936 977 V N 0.065 119.823 119.914 -0.260 0.000 2.379 977 V HA -0.170 3.900 4.120 -0.084 0.000 0.245 977 V C 2.256 178.222 176.094 -0.214 0.000 1.044 977 V CA 1.177 63.239 62.300 -0.396 0.000 1.036 977 V CB -0.780 30.886 31.823 -0.261 0.000 0.664 977 V HN -0.124 nan 8.190 nan 0.000 0.453 978 I N 1.381 121.881 120.570 -0.117 0.000 2.068 978 I HA -0.227 3.893 4.170 -0.084 0.000 0.238 978 I C 2.802 178.877 176.117 -0.070 0.000 1.046 978 I CA 2.196 63.455 61.300 -0.067 0.000 1.306 978 I CB -2.169 35.810 38.000 -0.036 0.000 1.023 978 I HN 0.417 nan 8.210 nan 0.000 0.399 979 G N 1.190 109.948 108.800 -0.070 0.000 2.556 979 G HA2 -0.317 3.593 3.960 -0.084 0.000 0.220 979 G HA3 -0.317 3.593 3.960 -0.084 0.000 0.220 979 G C 1.728 176.592 174.900 -0.060 0.000 1.156 979 G CA 1.441 46.508 45.100 -0.055 0.000 0.766 979 G HN 0.346 nan 8.290 nan 0.000 0.583 980 L N 0.792 121.944 121.223 -0.119 0.000 1.937 980 L HA -0.031 4.259 4.340 -0.084 0.000 0.213 980 L C 2.406 179.245 176.870 -0.051 0.000 1.077 980 L CA 2.815 57.590 54.840 -0.109 0.000 0.758 980 L CB -0.952 40.969 42.059 -0.230 0.000 0.888 980 L HN 0.329 nan 8.230 nan 0.000 0.433 981 D N -0.794 119.557 120.400 -0.083 0.000 2.191 981 D HA -0.316 4.274 4.640 -0.084 0.000 0.195 981 D C 1.864 178.191 176.300 0.045 0.000 1.003 981 D CA 1.639 55.621 54.000 -0.030 0.000 0.867 981 D CB 0.081 40.849 40.800 -0.052 0.000 0.926 981 D HN 0.538 nan 8.370 nan 0.000 0.450 982 E N -0.155 120.065 120.200 0.033 0.000 2.333 982 E HA -0.101 4.199 4.350 -0.084 0.000 0.198 982 E C 2.042 178.726 176.600 0.140 0.000 1.007 982 E CA 0.564 57.006 56.400 0.070 0.000 0.845 982 E CB -0.100 29.618 29.700 0.031 0.000 0.766 982 E HN 0.508 nan 8.360 nan 0.000 0.507 983 I N -0.748 119.905 120.570 0.138 0.000 2.385 983 I HA -0.146 3.974 4.170 -0.084 0.000 0.244 983 I C 2.036 178.360 176.117 0.345 0.000 1.089 983 I CA 0.336 61.767 61.300 0.218 0.000 1.410 983 I CB -0.231 37.853 38.000 0.141 0.000 1.117 983 I HN 0.062 nan 8.210 nan 0.000 0.429 984 L N 0.853 122.241 121.223 0.275 0.000 2.051 984 L HA -0.279 4.010 4.340 -0.084 0.000 0.214 984 L C 2.571 179.726 176.870 0.475 0.000 1.076 984 L CA 1.749 56.820 54.840 0.385 0.000 0.758 984 L CB -0.868 41.283 42.059 0.152 0.000 0.890 984 L HN 0.245 nan 8.230 nan 0.000 0.433 985 K N -0.419 120.172 120.400 0.319 0.000 2.032 985 K HA -0.224 4.046 4.320 -0.084 0.000 0.209 985 K C 2.084 178.833 176.600 0.248 0.000 1.048 985 K CA 1.805 58.253 56.287 0.268 0.000 0.927 985 K CB -0.385 32.223 32.500 0.180 0.000 0.712 985 K HN 0.097 nan 8.250 nan 0.000 0.441 986 F N 2.174 122.213 119.950 0.148 0.000 2.065 986 F HA -0.262 4.215 4.527 -0.084 0.000 0.298 986 F C 1.846 177.734 175.800 0.147 0.000 1.112 986 F CA 1.423 59.492 58.000 0.116 0.000 1.212 986 F CB -0.337 38.732 39.000 0.115 0.000 0.975 986 F HN -0.079 nan 8.300 nan 0.000 0.476 987 I N 0.696 121.457 120.570 0.317 0.000 2.043 987 I HA -0.428 3.692 4.170 -0.084 0.000 0.231 987 I C 2.812 178.919 176.117 -0.017 0.000 1.024 987 I CA 1.706 63.182 61.300 0.293 0.000 1.309 987 I CB -1.367 36.918 38.000 0.476 0.000 1.030 987 I HN 0.293 nan 8.210 nan 0.000 0.389 988 A N 0.591 123.395 122.820 -0.027 0.000 1.929 988 A HA -0.353 3.917 4.320 -0.084 0.000 0.221 988 A C 2.397 179.859 177.584 -0.203 0.000 1.211 988 A CA 2.629 54.512 52.037 -0.257 0.000 0.657 988 A CB -1.063 17.911 19.000 -0.043 0.000 0.827 988 A HN 0.498 nan 8.150 nan 0.000 0.462 989 R N -0.956 119.451 120.500 -0.154 0.000 2.211 989 R HA -0.169 4.121 4.340 -0.084 0.000 0.240 989 R C 0.967 177.077 176.300 -0.316 0.000 1.144 989 R CA 1.840 57.821 56.100 -0.197 0.000 0.992 989 R CB -0.130 30.070 30.300 -0.167 0.000 0.869 989 R HN 0.714 nan 8.270 nan 0.000 0.462 990 N N -2.187 116.233 118.700 -0.467 0.000 2.324 990 N HA -0.011 4.679 4.740 -0.084 0.000 0.235 990 N C 0.829 176.023 175.510 -0.526 0.000 1.162 990 N CA 0.352 53.060 53.050 -0.570 0.000 0.834 990 N CB -0.010 37.942 38.487 -0.890 0.000 1.354 990 N HN 0.114 nan 8.380 nan 0.000 0.471 991 Y N 1.883 122.026 120.300 -0.261 0.000 2.343 991 Y HA 0.272 4.771 4.550 -0.084 0.000 0.294 991 Y C 2.323 178.093 175.900 -0.218 0.000 1.122 991 Y CA 0.365 58.348 58.100 -0.196 0.000 1.173 991 Y CB -0.337 38.033 38.460 -0.150 0.000 1.077 991 Y HN -0.138 nan 8.280 nan 0.000 0.542 992 L N -0.363 120.763 121.223 -0.162 0.000 1.938 992 L HA -0.138 4.152 4.340 -0.084 0.000 0.212 992 L C 2.402 179.149 176.870 -0.206 0.000 1.085 992 L CA 1.304 55.979 54.840 -0.275 0.000 0.760 992 L CB -0.592 41.123 42.059 -0.574 0.000 0.888 992 L HN 0.071 nan 8.230 nan 0.000 0.433 993 E N 0.304 120.376 120.200 -0.213 0.000 2.106 993 E HA 0.030 4.330 4.350 -0.084 0.000 0.192 993 E C 1.086 177.614 176.600 -0.119 0.000 0.984 993 E CA 0.883 57.193 56.400 -0.149 0.000 0.806 993 E CB -0.328 29.293 29.700 -0.132 0.000 0.750 993 E HN 0.531 nan 8.360 nan 0.000 0.458 994 G N 0.000 108.719 108.800 -0.135 0.000 5.446 994 G HA2 0.000 3.910 3.960 -0.084 0.000 0.244 994 G HA3 0.000 3.910 3.960 -0.084 0.000 0.244 994 G CA 0.000 45.029 45.100 -0.119 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925