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 3nam_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 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.384 55.300 0.140 0.000 0.988 1 M CB 0.000 32.622 32.600 0.037 0.000 1.302 2 E N -0.180 119.992 120.200 -0.047 0.000 2.338 2 E HA 0.474 4.822 4.350 -0.003 0.000 0.277 2 E C -1.467 175.065 176.600 -0.113 0.000 1.213 2 E CA -0.612 55.684 56.400 -0.175 0.000 0.946 2 E CB 0.555 29.940 29.700 -0.526 0.000 1.223 2 E HN 1.318 nan 8.360 nan 0.000 0.412 3 A N 1.193 123.934 122.820 -0.132 0.000 3.065 3 A HA 0.438 4.756 4.320 -0.003 0.000 0.262 3 A C 1.382 178.774 177.584 -0.318 0.000 1.901 3 A CA 0.653 52.598 52.037 -0.154 0.000 1.475 3 A CB -1.269 17.622 19.000 -0.182 0.000 0.984 3 A HN 0.827 nan 8.150 nan 0.000 0.618 4 A N 1.071 123.796 122.820 -0.158 0.000 2.125 4 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 4 A C 1.838 179.355 177.584 -0.112 0.000 1.156 4 A CA 1.361 53.323 52.037 -0.124 0.000 0.671 4 A CB -0.857 18.131 19.000 -0.019 0.000 0.794 4 A HN 0.996 nan 8.150 nan 0.000 0.459 5 H N -0.603 118.459 119.070 -0.013 0.000 2.543 5 H HA -0.035 4.519 4.556 -0.003 0.000 0.286 5 H C 1.464 176.787 175.328 -0.008 0.000 1.037 5 H CA 1.507 57.550 56.048 -0.008 0.000 1.250 5 H CB -0.272 29.500 29.762 0.017 0.000 1.373 5 H HN 0.571 nan 8.280 nan 0.000 0.580 6 S N -0.582 114.923 115.700 -0.324 0.000 2.549 6 S HA 0.166 4.634 4.470 -0.003 0.000 0.225 6 S C 1.524 176.058 174.600 -0.110 0.000 1.039 6 S CA -0.700 57.401 58.200 -0.165 0.000 0.942 6 S CB 0.671 63.716 63.200 -0.259 0.000 0.881 6 S HN 0.045 nan 8.310 nan 0.000 0.503 7 K N 2.811 123.133 120.400 -0.131 0.000 2.004 7 K HA 0.262 4.580 4.320 -0.003 0.000 0.217 7 K C 1.682 178.255 176.600 -0.044 0.000 1.026 7 K CA 1.502 57.739 56.287 -0.084 0.000 0.979 7 K CB -0.689 31.763 32.500 -0.080 0.000 0.818 7 K HN 0.546 nan 8.250 nan 0.000 0.447 8 S N -2.519 113.165 115.700 -0.026 0.000 4.572 8 S HA 0.088 4.556 4.470 -0.003 0.000 0.234 8 S C 0.929 175.532 174.600 0.003 0.000 1.071 8 S CA 0.175 58.369 58.200 -0.010 0.000 1.087 8 S CB 0.210 63.404 63.200 -0.010 0.000 1.979 8 S HN 0.145 nan 8.310 nan 0.000 0.503 9 T N 1.400 115.960 114.554 0.011 0.000 2.980 9 T HA 0.319 4.667 4.350 -0.003 0.000 0.252 9 T C 1.218 175.937 174.700 0.031 0.000 0.962 9 T CA 0.550 62.661 62.100 0.018 0.000 0.932 9 T CB 0.328 69.203 68.868 0.011 0.000 1.188 9 T HN 0.655 nan 8.240 nan 0.000 0.500 10 E N 1.912 122.130 120.200 0.029 0.000 2.206 10 E HA 0.101 4.449 4.350 -0.003 0.000 0.195 10 E C 1.389 178.021 176.600 0.053 0.000 0.935 10 E CA 0.463 56.886 56.400 0.039 0.000 0.875 10 E CB -0.293 29.422 29.700 0.026 0.000 0.841 10 E HN 0.409 nan 8.360 nan 0.000 0.477 11 E N 0.530 120.753 120.200 0.038 0.000 2.333 11 E HA -0.136 4.212 4.350 -0.003 0.000 0.200 11 E C 1.789 178.437 176.600 0.080 0.000 1.010 11 E CA 1.225 57.652 56.400 0.044 0.000 0.841 11 E CB -0.241 29.467 29.700 0.013 0.000 0.757 11 E HN 0.265 nan 8.360 nan 0.000 0.508 12 C N -0.162 119.192 119.300 0.090 0.000 2.519 12 C HA 0.083 4.541 4.460 -0.003 0.000 0.281 12 C C 2.438 177.588 174.990 0.267 0.000 1.331 12 C CA -0.103 59.011 59.018 0.160 0.000 1.725 12 C CB -0.529 27.289 27.740 0.131 0.000 2.079 12 C HN 0.410 nan 8.230 nan 0.000 0.496 13 L N 1.001 122.331 121.223 0.179 0.000 2.093 13 L HA -0.101 4.237 4.340 -0.003 0.000 0.208 13 L C 2.807 179.781 176.870 0.175 0.000 1.085 13 L CA 1.496 56.441 54.840 0.175 0.000 0.755 13 L CB -0.565 41.553 42.059 0.100 0.000 0.904 13 L HN 0.351 nan 8.230 nan 0.000 0.435 14 A N -0.684 122.215 122.820 0.132 0.000 1.854 14 A HA -0.277 4.041 4.320 -0.003 0.000 0.214 14 A C 2.154 179.786 177.584 0.080 0.000 1.192 14 A CA 1.242 53.333 52.037 0.089 0.000 0.611 14 A CB -0.976 18.059 19.000 0.059 0.000 0.832 14 A HN 0.434 nan 8.150 nan 0.000 0.442 15 Y N -0.485 119.800 120.300 -0.025 0.000 2.132 15 Y HA -0.310 4.238 4.550 -0.003 0.000 0.280 15 Y C 1.728 177.504 175.900 -0.206 0.000 1.193 15 Y CA 2.448 60.450 58.100 -0.163 0.000 1.157 15 Y CB -0.376 37.898 38.460 -0.310 0.000 0.966 15 Y HN 0.277 nan 8.280 nan 0.000 0.511 16 F N -0.293 119.744 119.950 0.145 0.000 2.698 16 F HA 0.289 4.814 4.527 -0.003 0.000 0.295 16 F C 1.677 177.529 175.800 0.086 0.000 1.124 16 F CA 0.694 58.773 58.000 0.132 0.000 1.426 16 F CB -0.203 38.957 39.000 0.267 0.000 1.120 16 F HN 0.082 nan 8.300 nan 0.000 0.583 17 G N 1.928 110.849 108.800 0.202 0.000 2.370 17 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.295 17 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.295 17 G C -0.666 174.320 174.900 0.142 0.000 1.045 17 G CA 0.316 45.492 45.100 0.126 0.000 1.199 17 G HN 0.376 nan 8.290 nan 0.000 0.513 18 V N 0.674 120.671 119.914 0.139 0.000 2.925 18 V HA 0.888 5.006 4.120 -0.003 0.000 0.311 18 V C 0.369 176.499 176.094 0.059 0.000 1.104 18 V CA 0.023 62.374 62.300 0.085 0.000 0.954 18 V CB 2.405 34.269 31.823 0.068 0.000 1.022 18 V HN 1.443 nan 8.190 nan 0.000 0.427 19 S N 3.261 118.980 115.700 0.032 0.000 2.499 19 S HA 0.374 4.842 4.470 -0.003 0.000 0.279 19 S C 0.681 175.288 174.600 0.011 0.000 1.219 19 S CA -0.152 58.059 58.200 0.019 0.000 1.062 19 S CB 1.443 64.646 63.200 0.006 0.000 0.978 19 S HN 0.924 nan 8.310 nan 0.000 0.489 20 E N 1.910 122.115 120.200 0.009 0.000 2.401 20 E HA -0.150 4.197 4.350 -0.003 0.000 0.199 20 E C 1.186 177.767 176.600 -0.033 0.000 1.023 20 E CA 1.498 57.900 56.400 0.002 0.000 0.859 20 E CB -0.080 29.622 29.700 0.004 0.000 0.780 20 E HN 0.940 nan 8.360 nan 0.000 0.523 21 T N -4.468 110.057 114.554 -0.048 0.000 2.990 21 T HA 0.146 4.494 4.350 -0.003 0.000 0.250 21 T C 1.594 176.234 174.700 -0.101 0.000 1.041 21 T CA 0.316 62.358 62.100 -0.097 0.000 1.010 21 T CB 0.632 69.454 68.868 -0.077 0.000 1.003 21 T HN -0.104 nan 8.240 nan 0.000 0.499 22 T N 0.487 115.013 114.554 -0.048 0.000 3.085 22 T HA 0.597 4.945 4.350 -0.003 0.000 0.241 22 T C 1.080 175.784 174.700 0.008 0.000 0.988 22 T CA 0.711 62.795 62.100 -0.027 0.000 1.117 22 T CB 0.062 68.921 68.868 -0.014 0.000 0.978 22 T HN 0.863 nan 8.240 nan 0.000 0.454 23 G N 0.951 109.759 108.800 0.014 0.000 2.500 23 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.209 23 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.209 23 G C -1.149 173.743 174.900 -0.013 0.000 1.283 23 G CA -0.869 44.244 45.100 0.022 0.000 0.960 23 G HN 0.397 nan 8.290 nan 0.000 0.528 24 L N 1.380 122.574 121.223 -0.049 0.000 2.418 24 L HA 0.540 4.878 4.340 -0.003 0.000 0.265 24 L C 1.601 178.443 176.870 -0.047 0.000 1.143 24 L CA -0.074 54.714 54.840 -0.087 0.000 0.809 24 L CB 1.309 43.249 42.059 -0.200 0.000 1.124 24 L HN 1.004 nan 8.230 nan 0.000 0.456 25 T N -1.639 112.895 114.554 -0.033 0.000 2.899 25 T HA 0.250 4.597 4.350 -0.003 0.000 0.284 25 T C -1.585 173.109 174.700 -0.010 0.000 1.004 25 T CA -1.703 60.391 62.100 -0.010 0.000 1.043 25 T CB 1.299 70.170 68.868 0.005 0.000 1.013 25 T HN 0.459 nan 8.240 nan 0.000 0.518 26 P HA -0.196 nan 4.420 nan 0.000 0.216 26 P C 0.947 178.256 177.300 0.014 0.000 1.150 26 P CA 1.631 64.734 63.100 0.006 0.000 0.843 26 P CB 0.077 31.783 31.700 0.010 0.000 0.787 27 D N -0.616 119.796 120.400 0.020 0.000 2.144 27 D HA -0.152 4.485 4.640 -0.003 0.000 0.200 27 D C 2.315 178.649 176.300 0.058 0.000 0.978 27 D CA 1.094 55.115 54.000 0.034 0.000 0.833 27 D CB -0.327 40.493 40.800 0.033 0.000 0.961 27 D HN 0.159 nan 8.370 nan 0.000 0.470 28 Q N -0.282 119.549 119.800 0.051 0.000 2.050 28 Q HA -0.109 4.229 4.340 -0.003 0.000 0.202 28 Q C 2.429 178.476 176.000 0.078 0.000 0.980 28 Q CA 1.313 57.172 55.803 0.093 0.000 0.840 28 Q CB -0.048 28.685 28.738 -0.009 0.000 0.898 28 Q HN 0.227 nan 8.270 nan 0.000 0.424 29 V N 1.633 121.531 119.914 -0.027 0.000 2.380 29 V HA -0.323 3.795 4.120 -0.003 0.000 0.251 29 V C 2.287 178.415 176.094 0.057 0.000 1.063 29 V CA 2.069 64.356 62.300 -0.022 0.000 1.055 29 V CB -0.585 31.222 31.823 -0.027 0.000 0.657 29 V HN 0.344 nan 8.190 nan 0.000 0.455 30 K N -0.108 120.327 120.400 0.060 0.000 2.025 30 K HA -0.164 4.154 4.320 -0.003 0.000 0.207 30 K C 2.449 179.093 176.600 0.074 0.000 1.049 30 K CA 1.386 57.706 56.287 0.054 0.000 0.933 30 K CB -0.088 32.436 32.500 0.040 0.000 0.714 30 K HN 0.373 nan 8.250 nan 0.000 0.438 31 R N -0.527 120.040 120.500 0.112 0.000 2.066 31 R HA -0.092 4.246 4.340 -0.003 0.000 0.232 31 R C 2.414 178.786 176.300 0.121 0.000 1.131 31 R CA 1.543 57.700 56.100 0.096 0.000 0.955 31 R CB -0.506 29.855 30.300 0.101 0.000 0.851 31 R HN 0.439 nan 8.270 nan 0.000 0.432 32 H N 0.185 119.307 119.070 0.086 0.000 2.352 32 H HA -0.152 4.402 4.556 -0.003 0.000 0.299 32 H C 2.164 177.597 175.328 0.176 0.000 1.097 32 H CA 1.421 57.593 56.048 0.207 0.000 1.311 32 H CB 0.038 29.932 29.762 0.219 0.000 1.377 32 H HN 0.068 nan 8.280 nan 0.000 0.504 33 L N 1.343 122.677 121.223 0.185 0.000 2.131 33 L HA -0.137 4.201 4.340 -0.003 0.000 0.210 33 L C 2.347 179.190 176.870 -0.045 0.000 1.092 33 L CA 1.527 56.382 54.840 0.025 0.000 0.759 33 L CB -0.216 41.808 42.059 -0.058 0.000 0.903 33 L HN 0.113 nan 8.230 nan 0.000 0.435 34 E N -0.341 119.846 120.200 -0.022 0.000 2.158 34 E HA -0.208 4.140 4.350 -0.003 0.000 0.191 34 E C 2.177 178.726 176.600 -0.085 0.000 0.982 34 E CA 1.275 57.644 56.400 -0.051 0.000 0.823 34 E CB -0.098 29.582 29.700 -0.035 0.000 0.766 34 E HN 0.427 nan 8.360 nan 0.000 0.468 35 K N -1.409 118.907 120.400 -0.140 0.000 2.211 35 K HA -0.040 4.278 4.320 -0.003 0.000 0.201 35 K C 0.823 177.179 176.600 -0.407 0.000 1.052 35 K CA 0.695 56.784 56.287 -0.330 0.000 0.973 35 K CB 0.106 32.278 32.500 -0.548 0.000 0.766 35 K HN 0.175 nan 8.250 nan 0.000 0.466 36 Y N -0.385 119.922 120.300 0.011 0.000 2.444 36 Y HA 0.269 4.817 4.550 -0.003 0.000 0.252 36 Y C 0.947 176.852 175.900 0.008 0.000 1.091 36 Y CA 0.323 58.441 58.100 0.031 0.000 1.276 36 Y CB 1.029 39.531 38.460 0.069 0.000 1.170 36 Y HN 0.239 nan 8.280 nan 0.000 0.517 37 G N 0.211 109.059 108.800 0.082 0.000 2.741 37 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.222 37 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.222 37 G C -0.836 174.037 174.900 -0.046 0.000 1.364 37 G CA -0.580 44.512 45.100 -0.014 0.000 0.866 37 G HN 0.409 nan 8.290 nan 0.000 0.555 38 H N -0.196 118.921 119.070 0.078 0.000 2.603 38 H HA 0.425 4.979 4.556 -0.003 0.000 0.370 38 H C 1.031 176.393 175.328 0.058 0.000 1.225 38 H CA 0.406 56.490 56.048 0.061 0.000 1.410 38 H CB 0.625 30.412 29.762 0.043 0.000 1.495 38 H HN 0.542 nan 8.280 nan 0.000 0.602 39 N N 2.051 120.860 118.700 0.181 0.000 3.124 39 N HA 0.022 4.760 4.740 -0.003 0.000 0.284 39 N C -1.199 174.366 175.510 0.091 0.000 1.209 39 N CA 0.014 53.127 53.050 0.105 0.000 1.149 39 N CB -0.335 38.193 38.487 0.068 0.000 1.434 39 N HN 0.572 nan 8.380 nan 0.000 0.529 40 E N 0.182 120.439 120.200 0.095 0.000 2.446 40 E HA 0.383 4.731 4.350 -0.003 0.000 0.276 40 E C -0.889 175.748 176.600 0.062 0.000 0.969 40 E CA -0.888 55.552 56.400 0.067 0.000 0.800 40 E CB 1.589 31.322 29.700 0.055 0.000 1.341 40 E HN 0.134 nan 8.360 nan 0.000 0.460 41 L N 2.302 123.553 121.223 0.047 0.000 2.282 41 L HA 0.425 4.763 4.340 -0.003 0.000 0.288 41 L C -2.239 174.652 176.870 0.035 0.000 1.033 41 L CA -1.955 52.911 54.840 0.043 0.000 0.807 41 L CB 0.887 42.970 42.059 0.040 0.000 1.209 41 L HN 0.236 nan 8.230 nan 0.000 0.423 42 P HA -0.132 nan 4.420 nan 0.000 0.272 42 P C -0.157 177.155 177.300 0.020 0.000 1.210 42 P CA 0.144 63.262 63.100 0.031 0.000 0.789 42 P CB 0.452 32.169 31.700 0.029 0.000 0.849 43 A N 1.415 124.245 122.820 0.017 0.000 2.227 43 A HA 0.164 4.482 4.320 -0.003 0.000 0.279 43 A C 0.308 177.897 177.584 0.008 0.000 1.367 43 A CA 0.657 52.700 52.037 0.010 0.000 0.824 43 A CB -0.361 18.645 19.000 0.010 0.000 1.214 43 A HN 0.590 nan 8.150 nan 0.000 0.514 44 E N -1.329 118.874 120.200 0.005 0.000 2.370 44 E HA 0.414 4.762 4.350 -0.003 0.000 0.259 44 E C -0.948 175.654 176.600 0.003 0.000 0.947 44 E CA -0.522 55.879 56.400 0.002 0.000 0.809 44 E CB 0.485 30.183 29.700 -0.002 0.000 1.300 44 E HN 0.652 nan 8.360 nan 0.000 0.419 45 E N 0.074 120.274 120.200 -0.000 0.000 2.161 45 E HA 0.211 4.559 4.350 -0.003 0.000 0.263 45 E C 0.254 176.857 176.600 0.004 0.000 1.185 45 E CA -0.162 56.239 56.400 0.001 0.000 0.938 45 E CB -0.061 29.636 29.700 -0.005 0.000 1.023 45 E HN 0.632 nan 8.360 nan 0.000 0.433 46 G N 4.262 113.068 108.800 0.010 0.000 3.337 46 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.226 46 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.226 46 G C 0.370 175.282 174.900 0.021 0.000 1.295 46 G CA -0.431 44.678 45.100 0.015 0.000 1.427 46 G HN 0.490 nan 8.290 nan 0.000 0.535 47 K N 1.028 121.436 120.400 0.013 0.000 2.430 47 K HA 0.130 4.448 4.320 -0.003 0.000 0.280 47 K C 0.529 177.146 176.600 0.028 0.000 1.063 47 K CA -0.117 56.179 56.287 0.014 0.000 1.071 47 K CB 0.165 32.664 32.500 -0.001 0.000 0.899 47 K HN 0.195 nan 8.250 nan 0.000 0.473 48 S N 3.505 119.234 115.700 0.049 0.000 2.646 48 S HA 0.132 4.600 4.470 -0.003 0.000 0.276 48 S C 1.006 175.662 174.600 0.094 0.000 1.222 48 S CA -0.872 57.377 58.200 0.081 0.000 1.014 48 S CB 0.949 64.224 63.200 0.125 0.000 0.991 48 S HN 0.660 nan 8.310 nan 0.000 0.533 49 L N 3.919 125.213 121.223 0.118 0.000 2.191 49 L HA 0.053 4.391 4.340 -0.003 0.000 0.212 49 L C 1.797 178.785 176.870 0.196 0.000 1.103 49 L CA 1.681 56.598 54.840 0.129 0.000 0.769 49 L CB -0.514 41.623 42.059 0.130 0.000 0.908 49 L HN 0.882 nan 8.230 nan 0.000 0.438 50 W N 0.411 121.727 121.300 0.027 0.000 2.418 50 W HA -0.151 4.506 4.660 -0.003 0.000 0.292 50 W C 1.773 178.315 176.519 0.039 0.000 1.213 50 W CA 1.339 58.703 57.345 0.031 0.000 1.283 50 W CB 0.221 29.693 29.460 0.020 0.000 1.119 50 W HN 0.302 nan 8.180 nan 0.000 0.542 51 E N 0.797 120.949 120.200 -0.080 0.000 2.170 51 E HA -0.180 4.168 4.350 -0.003 0.000 0.191 51 E C 2.211 178.712 176.600 -0.164 0.000 0.981 51 E CA 0.781 57.064 56.400 -0.195 0.000 0.830 51 E CB -0.564 29.107 29.700 -0.048 0.000 0.775 51 E HN 0.258 nan 8.360 nan 0.000 0.470 52 L N 1.564 122.739 121.223 -0.081 0.000 2.046 52 L HA -0.172 4.166 4.340 -0.003 0.000 0.208 52 L C 2.553 179.368 176.870 -0.091 0.000 1.077 52 L CA 1.185 55.987 54.840 -0.063 0.000 0.747 52 L CB -0.153 41.896 42.059 -0.016 0.000 0.896 52 L HN 0.148 nan 8.230 nan 0.000 0.432 53 V N -3.013 116.845 119.914 -0.092 0.000 2.548 53 V HA -0.182 3.936 4.120 -0.003 0.000 0.249 53 V C 2.331 178.379 176.094 -0.077 0.000 1.055 53 V CA 1.092 63.361 62.300 -0.053 0.000 1.065 53 V CB -0.765 31.083 31.823 0.042 0.000 0.681 53 V HN 0.301 nan 8.190 nan 0.000 0.462 54 I N 0.828 121.220 120.570 -0.297 0.000 2.315 54 I HA -0.127 4.041 4.170 -0.003 0.000 0.248 54 I C 2.748 178.792 176.117 -0.121 0.000 1.117 54 I CA 1.452 62.588 61.300 -0.273 0.000 1.404 54 I CB -1.402 36.286 38.000 -0.520 0.000 1.071 54 I HN 0.469 nan 8.210 nan 0.000 0.419 55 E N 0.398 120.512 120.200 -0.143 0.000 2.118 55 E HA -0.239 4.109 4.350 -0.003 0.000 0.195 55 E C 2.098 178.613 176.600 -0.142 0.000 0.992 55 E CA 0.938 57.271 56.400 -0.112 0.000 0.804 55 E CB 0.062 29.703 29.700 -0.098 0.000 0.741 55 E HN 0.496 nan 8.360 nan 0.000 0.458 56 Q N -0.532 119.138 119.800 -0.217 0.000 2.135 56 Q HA -0.134 4.204 4.340 -0.003 0.000 0.204 56 Q C 1.064 176.711 176.000 -0.589 0.000 0.981 56 Q CA 1.140 56.683 55.803 -0.433 0.000 0.856 56 Q CB -0.182 28.181 28.738 -0.624 0.000 0.902 56 Q HN 0.307 nan 8.270 nan 0.000 0.425 57 F N 0.534 120.427 119.950 -0.095 0.000 2.986 57 F HA 0.188 4.713 4.527 -0.003 0.000 0.297 57 F C 1.187 176.946 175.800 -0.069 0.000 1.210 57 F CA -0.053 57.900 58.000 -0.078 0.000 1.346 57 F CB 0.540 39.487 39.000 -0.089 0.000 1.007 57 F HN -0.119 nan 8.300 nan 0.000 0.512 58 E N -0.714 119.489 120.200 0.004 0.000 2.514 58 E HA 0.027 4.375 4.350 -0.003 0.000 0.215 58 E C 0.242 176.837 176.600 -0.009 0.000 0.946 58 E CA 0.136 56.537 56.400 0.001 0.000 1.038 58 E CB 0.199 29.886 29.700 -0.021 0.000 1.069 58 E HN 0.239 nan 8.360 nan 0.000 0.503 59 D N 0.573 120.957 120.400 -0.027 0.000 2.382 59 D HA -0.045 4.593 4.640 -0.003 0.000 0.240 59 D C 1.189 177.490 176.300 0.002 0.000 1.146 59 D CA -0.111 53.878 54.000 -0.018 0.000 0.897 59 D CB 1.138 41.918 40.800 -0.033 0.000 1.197 59 D HN -0.101 nan 8.370 nan 0.000 0.432 60 L N 3.165 124.391 121.223 0.005 0.000 2.044 60 L HA -0.025 4.313 4.340 -0.003 0.000 0.205 60 L C 2.081 178.956 176.870 0.009 0.000 1.075 60 L CA 1.386 56.228 54.840 0.004 0.000 0.747 60 L CB -0.335 41.719 42.059 -0.008 0.000 0.903 60 L HN 0.565 nan 8.230 nan 0.000 0.435 61 L N -1.785 119.448 121.223 0.017 0.000 2.201 61 L HA -0.129 4.209 4.340 -0.003 0.000 0.212 61 L C 2.501 179.386 176.870 0.026 0.000 1.105 61 L CA 0.843 55.699 54.840 0.027 0.000 0.775 61 L CB -0.655 41.439 42.059 0.059 0.000 0.913 61 L HN 0.213 nan 8.230 nan 0.000 0.440 62 V N -0.281 119.642 119.914 0.015 0.000 2.719 62 V HA -0.131 3.986 4.120 -0.003 0.000 0.252 62 V C 2.633 178.771 176.094 0.074 0.000 1.065 62 V CA 1.259 63.571 62.300 0.019 0.000 1.086 62 V CB -0.174 31.620 31.823 -0.048 0.000 0.700 62 V HN 0.372 nan 8.190 nan 0.000 0.467 63 R N -0.317 120.222 120.500 0.066 0.000 2.057 63 R HA 0.016 4.354 4.340 -0.003 0.000 0.229 63 R C 2.249 178.581 176.300 0.053 0.000 1.136 63 R CA 1.905 58.051 56.100 0.077 0.000 0.952 63 R CB -0.413 29.919 30.300 0.053 0.000 0.848 63 R HN 0.478 nan 8.270 nan 0.000 0.430 64 I N 1.200 121.791 120.570 0.035 0.000 2.236 64 I HA -0.345 3.823 4.170 -0.003 0.000 0.249 64 I C 2.299 178.437 176.117 0.036 0.000 1.102 64 I CA 1.371 62.687 61.300 0.027 0.000 1.365 64 I CB -0.244 37.765 38.000 0.015 0.000 1.051 64 I HN 0.236 nan 8.210 nan 0.000 0.420 65 L N -0.352 120.898 121.223 0.044 0.000 2.109 65 L HA -0.185 4.153 4.340 -0.003 0.000 0.207 65 L C 2.515 179.417 176.870 0.053 0.000 1.086 65 L CA 0.855 55.724 54.840 0.048 0.000 0.760 65 L CB -0.367 41.721 42.059 0.048 0.000 0.910 65 L HN 0.298 nan 8.230 nan 0.000 0.437 66 L N -0.023 121.240 121.223 0.066 0.000 2.131 66 L HA -0.208 4.130 4.340 -0.003 0.000 0.210 66 L C 2.247 179.130 176.870 0.021 0.000 1.092 66 L CA 1.502 56.373 54.840 0.052 0.000 0.759 66 L CB -0.471 41.634 42.059 0.076 0.000 0.903 66 L HN 0.158 nan 8.230 nan 0.000 0.435 67 L N -0.100 121.138 121.223 0.024 0.000 2.027 67 L HA 0.011 4.349 4.340 -0.003 0.000 0.206 67 L C 2.491 179.371 176.870 0.017 0.000 1.074 67 L CA 2.109 56.956 54.840 0.013 0.000 0.745 67 L CB -1.313 40.755 42.059 0.016 0.000 0.898 67 L HN 0.208 nan 8.230 nan 0.000 0.433 68 A N -0.133 122.705 122.820 0.030 0.000 1.902 68 A HA -0.094 4.223 4.320 -0.003 0.000 0.217 68 A C 2.434 180.050 177.584 0.054 0.000 1.181 68 A CA 1.828 53.889 52.037 0.040 0.000 0.623 68 A CB -1.259 17.768 19.000 0.046 0.000 0.818 68 A HN 0.622 nan 8.150 nan 0.000 0.443 69 A N -1.508 121.346 122.820 0.056 0.000 2.070 69 A HA -0.102 4.216 4.320 -0.003 0.000 0.220 69 A C 2.192 179.842 177.584 0.111 0.000 1.159 69 A CA 1.587 53.671 52.037 0.078 0.000 0.656 69 A CB -0.962 18.069 19.000 0.051 0.000 0.800 69 A HN 0.595 nan 8.150 nan 0.000 0.453 70 C N -1.011 118.335 119.300 0.075 0.000 2.544 70 C HA 0.094 4.552 4.460 -0.003 0.000 0.280 70 C C 2.519 177.583 174.990 0.123 0.000 1.295 70 C CA 0.659 59.741 59.018 0.107 0.000 1.702 70 C CB -1.105 26.652 27.740 0.029 0.000 2.090 70 C HN 0.649 nan 8.230 nan 0.000 0.493 71 I N 1.212 121.794 120.570 0.020 0.000 2.208 71 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 71 I C 2.651 178.765 176.117 -0.004 0.000 1.097 71 I CA 1.971 63.227 61.300 -0.074 0.000 1.363 71 I CB -0.597 37.326 38.000 -0.127 0.000 1.051 71 I HN 0.357 nan 8.210 nan 0.000 0.413 72 S N 0.638 116.376 115.700 0.064 0.000 2.423 72 S HA -0.180 4.288 4.470 -0.003 0.000 0.231 72 S C 1.963 176.635 174.600 0.120 0.000 1.014 72 S CA 0.824 59.072 58.200 0.081 0.000 0.965 72 S CB -0.408 62.849 63.200 0.096 0.000 0.785 72 S HN 0.489 nan 8.310 nan 0.000 0.495 73 F N 1.557 121.533 119.950 0.045 0.000 2.293 73 F HA 0.199 4.724 4.527 -0.003 0.000 0.297 73 F C 1.818 177.691 175.800 0.122 0.000 1.089 73 F CA 0.765 58.831 58.000 0.109 0.000 1.377 73 F CB -0.235 38.835 39.000 0.116 0.000 1.051 73 F HN 0.083 nan 8.300 nan 0.000 0.511 74 V N 0.707 120.590 119.914 -0.053 0.000 2.488 74 V HA -0.224 3.894 4.120 -0.003 0.000 0.246 74 V C 2.381 178.471 176.094 -0.006 0.000 1.046 74 V CA 1.589 63.841 62.300 -0.081 0.000 1.053 74 V CB -0.541 31.281 31.823 -0.002 0.000 0.679 74 V HN 0.327 nan 8.190 nan 0.000 0.458 75 L N 0.590 121.794 121.223 -0.032 0.000 1.973 75 L HA -0.052 4.286 4.340 -0.003 0.000 0.208 75 L C 2.344 179.142 176.870 -0.120 0.000 1.073 75 L CA 1.643 56.461 54.840 -0.038 0.000 0.746 75 L CB -0.828 41.222 42.059 -0.014 0.000 0.891 75 L HN 0.311 nan 8.230 nan 0.000 0.433 76 A N -2.082 120.623 122.820 -0.192 0.000 2.215 76 A HA -0.129 4.189 4.320 -0.003 0.000 0.208 76 A C 1.033 178.170 177.584 -0.744 0.000 1.296 76 A CA 0.515 52.318 52.037 -0.389 0.000 0.918 76 A CB -0.839 17.951 19.000 -0.349 0.000 0.806 76 A HN 0.641 nan 8.150 nan 0.000 0.490 77 W N -2.147 118.788 121.300 -0.608 0.000 4.478 77 W HA 0.380 5.038 4.660 -0.003 0.000 0.466 77 W C 1.249 177.706 176.519 -0.102 0.000 3.462 77 W CA 0.345 57.419 57.345 -0.450 0.000 1.151 77 W CB -0.504 28.739 29.460 -0.361 0.000 2.118 77 W HN 0.123 nan 8.180 nan 0.000 0.352 78 F N 2.442 122.365 119.950 -0.045 0.000 2.001 78 F HA -0.065 4.460 4.527 -0.003 0.000 0.301 78 F C 0.635 176.320 175.800 -0.191 0.000 1.293 78 F CA 1.768 59.608 58.000 -0.266 0.000 1.196 78 F CB -1.348 37.778 39.000 0.209 0.000 0.944 78 F HN 0.000 nan 8.300 nan 0.000 0.525 79 E N 2.106 121.955 120.200 -0.586 0.000 2.311 79 E HA 0.155 4.503 4.350 -0.003 0.000 0.247 79 E C -0.483 175.921 176.600 -0.326 0.000 1.215 79 E CA 0.816 56.837 56.400 -0.632 0.000 0.957 79 E CB -0.524 28.903 29.700 -0.456 0.000 1.020 79 E HN 0.273 nan 8.360 nan 0.000 0.461 80 E N 1.723 121.732 120.200 -0.319 0.000 7.427 80 E HA -0.003 4.345 4.350 -0.003 0.000 0.205 80 E C -1.465 174.999 176.600 -0.226 0.000 0.897 80 E CA 0.159 56.428 56.400 -0.219 0.000 1.667 80 E CB -0.848 28.741 29.700 -0.185 0.000 0.894 80 E HN 0.517 nan 8.360 nan 0.000 0.287 81 G N 3.245 111.934 108.800 -0.185 0.000 2.666 81 G HA2 0.606 4.564 3.960 -0.003 0.000 0.303 81 G HA3 0.606 4.564 3.960 -0.003 0.000 0.303 81 G C -0.299 174.537 174.900 -0.106 0.000 1.412 81 G CA 0.408 45.414 45.100 -0.155 0.000 0.979 81 G HN 0.688 nan 8.290 nan 0.000 0.507 82 E N 1.645 121.794 120.200 -0.086 0.000 8.052 82 E HA -0.242 4.106 4.350 -0.003 0.000 0.466 82 E C 0.638 177.204 176.600 -0.057 0.000 0.765 82 E CA 1.803 58.167 56.400 -0.060 0.000 1.332 82 E CB -0.261 29.406 29.700 -0.054 0.000 0.986 82 E HN 1.853 nan 8.360 nan 0.000 0.275 83 E N -0.362 119.812 120.200 -0.043 0.000 4.273 83 E HA -0.233 4.115 4.350 -0.003 0.000 0.390 83 E C -0.737 175.840 176.600 -0.039 0.000 0.590 83 E CA 1.516 57.894 56.400 -0.038 0.000 1.435 83 E CB -1.803 27.873 29.700 -0.039 0.000 1.844 83 E HN 1.407 nan 8.360 nan 0.000 0.369 84 T N -1.293 113.234 114.554 -0.045 0.000 3.435 84 T HA 0.579 4.927 4.350 -0.003 0.000 0.344 84 T C 0.568 175.245 174.700 -0.038 0.000 1.211 84 T CA -0.391 61.682 62.100 -0.045 0.000 1.104 84 T CB 1.157 69.989 68.868 -0.059 0.000 1.196 84 T HN 0.662 nan 8.240 nan 0.000 0.471 85 I N -0.561 119.997 120.570 -0.021 0.000 4.082 85 I HA 0.298 4.466 4.170 -0.003 0.000 0.337 85 I C 1.241 177.373 176.117 0.025 0.000 1.352 85 I CA -0.364 60.940 61.300 0.007 0.000 1.097 85 I CB 0.133 38.135 38.000 0.003 0.000 1.048 85 I HN 0.527 nan 8.210 nan 0.000 0.393 86 T N 1.881 116.431 114.554 -0.007 0.000 3.067 86 T HA 0.313 4.661 4.350 -0.003 0.000 0.261 86 T C 1.239 175.939 174.700 0.001 0.000 1.110 86 T CA 0.552 62.646 62.100 -0.009 0.000 1.113 86 T CB -0.210 68.630 68.868 -0.045 0.000 0.917 86 T HN 0.507 nan 8.240 nan 0.000 0.499 87 A N 0.592 123.377 122.820 -0.058 0.000 2.587 87 A HA 0.366 4.684 4.320 -0.003 0.000 0.233 87 A C 0.586 178.096 177.584 -0.123 0.000 1.049 87 A CA 0.249 52.151 52.037 -0.226 0.000 0.754 87 A CB -0.562 18.186 19.000 -0.421 0.000 0.977 87 A HN 0.472 nan 8.150 nan 0.000 0.509 88 F N -1.093 118.913 119.950 0.094 0.000 2.344 88 F HA -0.253 4.272 4.527 -0.003 0.000 0.567 88 F C 1.552 177.458 175.800 0.176 0.000 0.510 88 F CA 0.974 59.076 58.000 0.170 0.000 1.451 88 F CB -1.868 37.224 39.000 0.153 0.000 2.196 88 F HN 0.305 nan 8.300 nan 0.000 0.256 89 V N 0.225 120.282 119.914 0.239 0.000 2.407 89 V HA -0.261 3.857 4.120 -0.003 0.000 0.248 89 V C 2.237 178.454 176.094 0.206 0.000 1.055 89 V CA 2.643 65.057 62.300 0.191 0.000 1.049 89 V CB -0.295 31.556 31.823 0.046 0.000 0.662 89 V HN 0.524 nan 8.190 nan 0.000 0.455 90 E N -0.217 120.070 120.200 0.145 0.000 2.028 90 E HA -0.184 4.164 4.350 -0.003 0.000 0.191 90 E C -0.225 176.481 176.600 0.176 0.000 0.988 90 E CA 1.519 57.994 56.400 0.125 0.000 0.799 90 E CB -0.654 29.093 29.700 0.079 0.000 0.755 90 E HN 0.490 nan 8.360 nan 0.000 0.447 91 P HA -0.114 nan 4.420 nan 0.000 0.217 91 P C 0.951 178.412 177.300 0.269 0.000 1.151 91 P CA 0.873 64.144 63.100 0.285 0.000 0.828 91 P CB -0.090 31.897 31.700 0.479 0.000 0.788 92 F N 0.261 120.315 119.950 0.173 0.000 2.146 92 F HA -0.167 4.358 4.527 -0.003 0.000 0.298 92 F C 1.935 177.783 175.800 0.081 0.000 1.096 92 F CA 1.331 59.401 58.000 0.117 0.000 1.275 92 F CB -0.839 38.236 39.000 0.126 0.000 1.008 92 F HN -0.308 nan 8.300 nan 0.000 0.480 93 V N 0.727 120.685 119.914 0.073 0.000 2.358 93 V HA -0.299 3.819 4.120 -0.003 0.000 0.246 93 V C 2.465 178.534 176.094 -0.042 0.000 1.047 93 V CA 1.949 64.238 62.300 -0.018 0.000 1.035 93 V CB -0.661 31.213 31.823 0.085 0.000 0.658 93 V HN 0.344 nan 8.190 nan 0.000 0.452 94 I N -0.543 120.034 120.570 0.012 0.000 2.315 94 I HA -0.225 3.943 4.170 -0.003 0.000 0.248 94 I C 2.338 178.445 176.117 -0.018 0.000 1.117 94 I CA 1.476 62.785 61.300 0.014 0.000 1.404 94 I CB -0.258 37.770 38.000 0.048 0.000 1.071 94 I HN 0.276 nan 8.210 nan 0.000 0.419 95 L N 0.148 121.337 121.223 -0.058 0.000 2.093 95 L HA -0.203 4.135 4.340 -0.003 0.000 0.208 95 L C 2.539 179.336 176.870 -0.121 0.000 1.085 95 L CA 1.164 55.957 54.840 -0.079 0.000 0.755 95 L CB -0.290 41.706 42.059 -0.105 0.000 0.904 95 L HN 0.274 nan 8.230 nan 0.000 0.435 96 L N -0.552 120.529 121.223 -0.235 0.000 1.994 96 L HA -0.257 4.081 4.340 -0.003 0.000 0.208 96 L C 2.508 179.319 176.870 -0.099 0.000 1.071 96 L CA 1.018 55.729 54.840 -0.215 0.000 0.745 96 L CB -0.376 41.510 42.059 -0.289 0.000 0.892 96 L HN 0.225 nan 8.230 nan 0.000 0.431 97 I N -0.171 120.357 120.570 -0.071 0.000 2.315 97 I HA -0.299 3.869 4.170 -0.003 0.000 0.251 97 I C 2.352 178.454 176.117 -0.025 0.000 1.125 97 I CA 1.610 62.888 61.300 -0.038 0.000 1.392 97 I CB -1.125 36.864 38.000 -0.019 0.000 1.065 97 I HN 0.268 nan 8.210 nan 0.000 0.424 98 L N 0.472 121.697 121.223 0.003 0.000 2.056 98 L HA -0.073 4.265 4.340 -0.003 0.000 0.202 98 L C 2.697 179.601 176.870 0.056 0.000 1.086 98 L CA 1.128 55.997 54.840 0.049 0.000 0.758 98 L CB -0.832 41.336 42.059 0.182 0.000 0.912 98 L HN 0.144 nan 8.230 nan 0.000 0.446 99 I N -0.849 119.792 120.570 0.118 0.000 2.194 99 I HA -0.264 3.904 4.170 -0.003 0.000 0.246 99 I C 2.670 178.808 176.117 0.036 0.000 1.093 99 I CA 1.715 63.092 61.300 0.130 0.000 1.355 99 I CB -0.750 37.296 38.000 0.076 0.000 1.046 99 I HN 0.151 nan 8.210 nan 0.000 0.413 100 A N 1.723 124.536 122.820 -0.011 0.000 1.902 100 A HA -0.270 4.048 4.320 -0.003 0.000 0.217 100 A C 2.156 179.718 177.584 -0.036 0.000 1.181 100 A CA 2.287 54.306 52.037 -0.030 0.000 0.623 100 A CB -1.154 17.816 19.000 -0.049 0.000 0.818 100 A HN 0.664 nan 8.150 nan 0.000 0.443 101 N N 0.446 119.118 118.700 -0.047 0.000 2.149 101 N HA -0.096 4.642 4.740 -0.003 0.000 0.188 101 N C 1.618 177.077 175.510 -0.086 0.000 1.019 101 N CA 1.962 54.972 53.050 -0.066 0.000 0.857 101 N CB -0.366 38.071 38.487 -0.084 0.000 0.997 101 N HN 0.343 nan 8.380 nan 0.000 0.426 102 A N 0.382 123.133 122.820 -0.114 0.000 2.015 102 A HA -0.036 4.282 4.320 -0.003 0.000 0.219 102 A C 1.992 179.554 177.584 -0.037 0.000 1.163 102 A CA 0.916 52.867 52.037 -0.144 0.000 0.646 102 A CB -0.557 18.333 19.000 -0.183 0.000 0.806 102 A HN 0.352 nan 8.150 nan 0.000 0.448 103 I N -0.246 120.323 120.570 -0.002 0.000 2.179 103 I HA -0.176 3.992 4.170 -0.003 0.000 0.242 103 I C 2.505 178.666 176.117 0.074 0.000 1.088 103 I CA 1.034 62.356 61.300 0.037 0.000 1.357 103 I CB -1.608 36.396 38.000 0.007 0.000 1.051 103 I HN 0.135 nan 8.210 nan 0.000 0.409 104 V N 1.703 121.641 119.914 0.040 0.000 2.231 104 V HA -0.286 3.832 4.120 -0.003 0.000 0.248 104 V C 2.769 178.927 176.094 0.107 0.000 1.054 104 V CA 2.439 64.791 62.300 0.086 0.000 1.015 104 V CB -1.556 30.285 31.823 0.030 0.000 0.638 104 V HN 0.532 nan 8.190 nan 0.000 0.444 105 G N -1.019 107.796 108.800 0.026 0.000 2.469 105 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.220 105 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.220 105 G C 1.763 176.676 174.900 0.022 0.000 1.136 105 G CA 1.344 46.445 45.100 0.000 0.000 0.759 105 G HN 0.482 nan 8.290 nan 0.000 0.562 106 V N -1.106 118.839 119.914 0.051 0.000 2.788 106 V HA 0.116 4.234 4.120 -0.003 0.000 0.251 106 V C 2.060 178.222 176.094 0.113 0.000 1.068 106 V CA 1.609 63.947 62.300 0.063 0.000 1.090 106 V CB -0.193 31.671 31.823 0.069 0.000 0.710 106 V HN 0.553 nan 8.190 nan 0.000 0.467 107 W N 0.685 121.974 121.300 -0.019 0.000 2.441 107 W HA -0.030 4.628 4.660 -0.003 0.000 0.302 107 W C 2.503 179.012 176.519 -0.016 0.000 1.191 107 W CA 1.823 59.160 57.345 -0.013 0.000 1.327 107 W CB -0.321 29.131 29.460 -0.012 0.000 1.128 107 W HN 0.317 nan 8.180 nan 0.000 0.522 108 Q N 0.206 120.069 119.800 0.106 0.000 2.096 108 Q HA -0.317 4.021 4.340 -0.003 0.000 0.208 108 Q C 2.254 178.150 176.000 -0.173 0.000 0.993 108 Q CA 2.247 58.012 55.803 -0.062 0.000 0.862 108 Q CB -0.505 28.262 28.738 0.049 0.000 0.915 108 Q HN 0.208 nan 8.270 nan 0.000 0.416 109 E N 0.662 120.801 120.200 -0.102 0.000 2.046 109 E HA -0.199 4.149 4.350 -0.003 0.000 0.190 109 E C 1.975 178.491 176.600 -0.140 0.000 0.982 109 E CA 1.121 57.460 56.400 -0.102 0.000 0.800 109 E CB -0.228 29.438 29.700 -0.056 0.000 0.756 109 E HN 0.324 nan 8.360 nan 0.000 0.449 110 R N 0.288 120.697 120.500 -0.151 0.000 2.159 110 R HA -0.094 4.244 4.340 -0.003 0.000 0.237 110 R C 1.291 177.450 176.300 -0.235 0.000 1.131 110 R CA 1.449 57.455 56.100 -0.156 0.000 0.982 110 R CB -0.032 30.198 30.300 -0.115 0.000 0.868 110 R HN 0.082 nan 8.270 nan 0.000 0.453 111 N N 0.121 118.591 118.700 -0.383 0.000 2.398 111 N HA 0.056 4.794 4.740 -0.003 0.000 0.188 111 N C -0.171 175.184 175.510 -0.258 0.000 1.122 111 N CA 0.577 53.387 53.050 -0.400 0.000 0.866 111 N CB 0.602 38.668 38.487 -0.701 0.000 0.970 111 N HN 0.205 nan 8.380 nan 0.000 0.462 112 A N 1.338 124.037 122.820 -0.200 0.000 2.332 112 A HA 0.337 4.655 4.320 -0.003 0.000 0.258 112 A C 0.280 177.803 177.584 -0.103 0.000 1.087 112 A CA -0.296 51.661 52.037 -0.133 0.000 0.802 112 A CB 0.292 19.229 19.000 -0.106 0.000 1.042 112 A HN 0.345 nan 8.150 nan 0.000 0.489 113 E N 1.194 121.347 120.200 -0.079 0.000 2.272 113 E HA 0.359 4.707 4.350 -0.003 0.000 0.269 113 E C -1.079 175.493 176.600 -0.046 0.000 0.877 113 E CA -1.013 55.349 56.400 -0.062 0.000 0.755 113 E CB 1.283 30.946 29.700 -0.061 0.000 1.192 113 E HN 0.458 nan 8.360 nan 0.000 0.422 114 N N 1.711 120.388 118.700 -0.039 0.000 2.458 114 N HA 0.128 4.866 4.740 -0.003 0.000 0.270 114 N C 0.487 175.984 175.510 -0.021 0.000 1.102 114 N CA 0.332 53.365 53.050 -0.028 0.000 0.967 114 N CB 1.657 40.129 38.487 -0.025 0.000 1.078 114 N HN 0.711 nan 8.380 nan 0.000 0.471 115 A N 5.001 127.812 122.820 -0.015 0.000 1.933 115 A HA -0.082 4.236 4.320 -0.003 0.000 0.218 115 A C 2.052 179.638 177.584 0.004 0.000 1.175 115 A CA 0.975 53.009 52.037 -0.005 0.000 0.628 115 A CB -0.390 18.608 19.000 -0.003 0.000 0.814 115 A HN 0.823 nan 8.150 nan 0.000 0.444 116 I N -0.300 120.270 120.570 0.001 0.000 2.756 116 I HA -0.141 4.027 4.170 -0.003 0.000 0.262 116 I C 1.846 177.967 176.117 0.006 0.000 1.225 116 I CA 0.815 62.119 61.300 0.008 0.000 1.472 116 I CB -0.268 37.734 38.000 0.004 0.000 1.094 116 I HN 0.300 nan 8.210 nan 0.000 0.454 117 E N 0.915 121.111 120.200 -0.006 0.000 2.299 117 E HA 0.021 4.369 4.350 -0.003 0.000 0.193 117 E C 2.248 178.833 176.600 -0.025 0.000 0.998 117 E CA 0.749 57.140 56.400 -0.015 0.000 0.851 117 E CB 0.082 29.767 29.700 -0.025 0.000 0.795 117 E HN 0.411 nan 8.360 nan 0.000 0.492 118 A N 0.895 123.703 122.820 -0.021 0.000 2.067 118 A HA -0.066 4.252 4.320 -0.003 0.000 0.219 118 A C 2.237 179.795 177.584 -0.043 0.000 1.158 118 A CA 0.670 52.683 52.037 -0.041 0.000 0.661 118 A CB -0.432 18.558 19.000 -0.016 0.000 0.801 118 A HN 0.152 nan 8.150 nan 0.000 0.452 119 L N -0.613 120.635 121.223 0.040 0.000 2.044 119 L HA -0.137 4.201 4.340 -0.003 0.000 0.205 119 L C 2.228 179.137 176.870 0.065 0.000 1.075 119 L CA 1.011 55.937 54.840 0.143 0.000 0.747 119 L CB -0.451 41.686 42.059 0.131 0.000 0.903 119 L HN 0.155 nan 8.230 nan 0.000 0.435 120 K N 0.174 120.584 120.400 0.017 0.000 2.259 120 K HA -0.276 4.042 4.320 -0.003 0.000 0.206 120 K C 1.889 178.467 176.600 -0.036 0.000 1.044 120 K CA 1.303 57.590 56.287 0.000 0.000 0.931 120 K CB -0.427 32.065 32.500 -0.015 0.000 0.726 120 K HN 0.349 nan 8.250 nan 0.000 0.467 121 E N 0.492 120.618 120.200 -0.123 0.000 2.152 121 E HA -0.127 4.221 4.350 -0.003 0.000 0.192 121 E C 0.732 177.224 176.600 -0.180 0.000 0.983 121 E CA 0.636 56.919 56.400 -0.195 0.000 0.818 121 E CB -0.051 29.462 29.700 -0.313 0.000 0.758 121 E HN 0.337 nan 8.360 nan 0.000 0.467 122 Y N 1.694 121.995 120.300 0.001 0.000 2.542 122 Y HA 0.065 4.613 4.550 -0.003 0.000 0.349 122 Y C -0.053 175.852 175.900 0.009 0.000 1.215 122 Y CA 0.470 58.573 58.100 0.006 0.000 1.253 122 Y CB -0.265 38.199 38.460 0.008 0.000 1.120 122 Y HN -0.078 nan 8.280 nan 0.000 0.487 123 E N 1.843 122.103 120.200 0.100 0.000 2.182 123 E HA 0.227 4.575 4.350 -0.003 0.000 0.258 123 E C -2.491 174.132 176.600 0.038 0.000 0.879 123 E CA -2.363 54.078 56.400 0.070 0.000 0.754 123 E CB 1.239 30.968 29.700 0.049 0.000 1.162 123 E HN 0.029 nan 8.360 nan 0.000 0.419 124 P HA -0.091 nan 4.420 nan 0.000 0.266 124 P C 0.335 177.640 177.300 0.008 0.000 1.195 124 P CA 0.295 63.407 63.100 0.020 0.000 0.768 124 P CB 1.347 33.058 31.700 0.018 0.000 0.838 125 E N 1.930 122.130 120.200 -0.000 0.000 2.077 125 E HA -0.118 4.230 4.350 -0.003 0.000 0.193 125 E C 0.470 177.066 176.600 -0.006 0.000 0.989 125 E CA 1.074 57.471 56.400 -0.006 0.000 0.800 125 E CB 0.103 29.797 29.700 -0.010 0.000 0.746 125 E HN 0.483 nan 8.360 nan 0.000 0.452 126 M N -1.554 118.041 119.600 -0.009 0.000 2.704 126 M HA 0.518 4.995 4.480 -0.003 0.000 0.284 126 M C -0.258 176.031 176.300 -0.019 0.000 1.275 126 M CA -0.708 54.584 55.300 -0.014 0.000 0.811 126 M CB 2.586 35.175 32.600 -0.018 0.000 1.741 126 M HN 0.001 nan 8.290 nan 0.000 0.458 127 G N 0.518 109.300 108.800 -0.030 0.000 2.694 127 G HA2 0.712 4.670 3.960 -0.003 0.000 0.290 127 G HA3 0.712 4.670 3.960 -0.003 0.000 0.290 127 G C -1.936 172.922 174.900 -0.071 0.000 1.386 127 G CA -0.727 44.346 45.100 -0.045 0.000 0.872 127 G HN 0.541 nan 8.290 nan 0.000 0.475 128 K N 0.151 120.491 120.400 -0.099 0.000 2.307 128 K HA 0.595 4.913 4.320 -0.003 0.000 0.263 128 K C -0.382 176.084 176.600 -0.223 0.000 0.973 128 K CA -0.686 55.505 56.287 -0.159 0.000 0.846 128 K CB 2.170 34.568 32.500 -0.171 0.000 1.100 128 K HN 0.560 nan 8.250 nan 0.000 0.438 129 V N -0.022 119.742 119.914 -0.250 0.000 3.102 129 V HA 0.547 4.665 4.120 -0.003 0.000 0.312 129 V C -1.573 174.321 176.094 -0.332 0.000 1.135 129 V CA -0.856 61.292 62.300 -0.253 0.000 1.022 129 V CB 1.523 33.271 31.823 -0.124 0.000 1.056 129 V HN 0.589 nan 8.190 nan 0.000 0.436 130 Y N 2.736 123.014 120.300 -0.037 0.000 2.587 130 Y HA 0.675 5.223 4.550 -0.003 0.000 0.328 130 Y C 0.622 176.499 175.900 -0.039 0.000 0.980 130 Y CA -0.852 57.229 58.100 -0.032 0.000 1.272 130 Y CB 0.843 39.285 38.460 -0.029 0.000 1.094 130 Y HN 0.559 nan 8.280 nan 0.000 0.503 131 R N 1.217 121.787 120.500 0.117 0.000 2.549 131 R HA 0.574 4.912 4.340 -0.003 0.000 0.267 131 R C 0.309 176.641 176.300 0.053 0.000 1.045 131 R CA -0.616 55.514 56.100 0.049 0.000 1.115 131 R CB 0.944 31.256 30.300 0.020 0.000 1.121 131 R HN 0.641 nan 8.270 nan 0.000 0.543 132 A N 0.810 123.643 122.820 0.022 0.000 2.728 132 A HA 0.031 4.349 4.320 -0.003 0.000 0.258 132 A C 0.472 178.064 177.584 0.014 0.000 1.454 132 A CA 0.444 52.489 52.037 0.014 0.000 1.146 132 A CB -0.620 18.382 19.000 0.004 0.000 0.985 132 A HN 0.747 nan 8.150 nan 0.000 0.603 133 D N -1.207 119.206 120.400 0.022 0.000 2.497 133 D HA 0.151 4.788 4.640 -0.003 0.000 0.256 133 D C 0.172 176.485 176.300 0.023 0.000 1.273 133 D CA 0.118 54.129 54.000 0.018 0.000 0.812 133 D CB 0.328 41.136 40.800 0.015 0.000 1.190 133 D HN 0.317 nan 8.370 nan 0.000 0.524 134 R N 0.327 120.849 120.500 0.036 0.000 2.566 134 R HA 0.280 4.618 4.340 -0.003 0.000 0.271 134 R C 0.065 176.401 176.300 0.060 0.000 1.071 134 R CA -0.644 55.482 56.100 0.044 0.000 0.915 134 R CB 1.570 31.900 30.300 0.051 0.000 1.228 134 R HN -0.172 nan 8.270 nan 0.000 0.449 135 K N 0.707 121.130 120.400 0.038 0.000 2.186 135 K HA 0.131 4.449 4.320 -0.003 0.000 0.202 135 K C 0.221 176.870 176.600 0.081 0.000 1.052 135 K CA 0.725 57.019 56.287 0.011 0.000 0.965 135 K CB 0.287 32.775 32.500 -0.019 0.000 0.746 135 K HN 0.449 nan 8.250 nan 0.000 0.457 136 S N 0.657 116.423 115.700 0.110 0.000 2.579 136 S HA 0.022 4.490 4.470 -0.003 0.000 0.275 136 S C -0.375 174.382 174.600 0.263 0.000 1.345 136 S CA -0.493 57.802 58.200 0.158 0.000 1.031 136 S CB 1.611 64.860 63.200 0.082 0.000 0.892 136 S HN 0.147 nan 8.310 nan 0.000 0.529 137 V N 2.878 122.945 119.914 0.255 0.000 2.583 137 V HA 0.270 4.388 4.120 -0.003 0.000 0.287 137 V C -0.289 175.765 176.094 -0.066 0.000 1.051 137 V CA -0.072 62.198 62.300 -0.051 0.000 1.010 137 V CB 1.010 32.621 31.823 -0.353 0.000 0.988 137 V HN 0.908 nan 8.190 nan 0.000 0.478 138 Q N 5.271 125.011 119.800 -0.101 0.000 2.215 138 Q HA 0.557 4.895 4.340 -0.003 0.000 0.256 138 Q C -0.494 175.452 176.000 -0.091 0.000 0.972 138 Q CA -0.657 55.109 55.803 -0.061 0.000 0.889 138 Q CB 1.596 30.314 28.738 -0.033 0.000 1.281 138 Q HN 0.705 nan 8.270 nan 0.000 0.456 139 R N 2.413 122.878 120.500 -0.059 0.000 2.477 139 R HA 0.305 4.643 4.340 -0.003 0.000 0.285 139 R C -0.580 175.697 176.300 -0.039 0.000 1.415 139 R CA -0.154 55.912 56.100 -0.057 0.000 1.446 139 R CB 0.007 30.279 30.300 -0.047 0.000 1.110 139 R HN 0.760 nan 8.270 nan 0.000 0.590 140 I N -1.501 119.045 120.570 -0.039 0.000 3.244 140 I HA 0.410 4.577 4.170 -0.003 0.000 0.314 140 I C -0.348 175.758 176.117 -0.019 0.000 1.043 140 I CA -1.062 60.224 61.300 -0.023 0.000 1.099 140 I CB 0.768 38.757 38.000 -0.018 0.000 1.449 140 I HN 0.156 nan 8.210 nan 0.000 0.625 141 K N 1.493 121.887 120.400 -0.009 0.000 2.298 141 K HA 0.304 4.622 4.320 -0.003 0.000 0.280 141 K C 0.935 177.535 176.600 0.001 0.000 1.032 141 K CA 0.112 56.396 56.287 -0.006 0.000 0.958 141 K CB 1.513 34.009 32.500 -0.006 0.000 0.978 141 K HN 0.752 nan 8.250 nan 0.000 0.472 142 A N 3.497 126.317 122.820 -0.000 0.000 2.084 142 A HA -0.234 4.084 4.320 -0.003 0.000 0.221 142 A C 2.085 179.684 177.584 0.025 0.000 1.161 142 A CA 1.663 53.704 52.037 0.006 0.000 0.653 142 A CB -0.441 18.564 19.000 0.008 0.000 0.802 142 A HN 0.881 nan 8.150 nan 0.000 0.457 143 R N -0.250 120.267 120.500 0.028 0.000 2.120 143 R HA -0.136 4.202 4.340 -0.003 0.000 0.234 143 R C 0.572 176.951 176.300 0.132 0.000 1.123 143 R CA 1.755 57.887 56.100 0.053 0.000 0.975 143 R CB -0.188 30.108 30.300 -0.006 0.000 0.866 143 R HN 0.500 nan 8.270 nan 0.000 0.446 144 D N 0.133 120.595 120.400 0.104 0.000 2.360 144 D HA 0.063 4.701 4.640 -0.003 0.000 0.210 144 D C 0.489 176.827 176.300 0.063 0.000 1.047 144 D CA 0.116 54.195 54.000 0.132 0.000 0.854 144 D CB 0.349 41.203 40.800 0.091 0.000 0.936 144 D HN 0.269 nan 8.370 nan 0.000 0.514 145 I N 1.465 122.054 120.570 0.032 0.000 2.752 145 I HA -0.035 4.133 4.170 -0.003 0.000 0.287 145 I C 0.326 176.436 176.117 -0.012 0.000 1.188 145 I CA 0.248 61.542 61.300 -0.010 0.000 1.427 145 I CB 0.968 38.953 38.000 -0.025 0.000 1.365 145 I HN -0.313 nan 8.210 nan 0.000 0.585 146 V N 7.367 127.249 119.914 -0.054 0.000 2.914 146 V HA 0.379 4.497 4.120 -0.003 0.000 0.314 146 V C -2.295 173.699 176.094 -0.167 0.000 1.084 146 V CA -1.963 60.304 62.300 -0.056 0.000 0.963 146 V CB 2.388 34.207 31.823 -0.006 0.000 1.025 146 V HN 0.562 nan 8.190 nan 0.000 0.432 147 P HA 0.278 nan 4.420 nan 0.000 0.265 147 P C 0.762 177.634 177.300 -0.714 0.000 1.193 147 P CA 1.584 64.396 63.100 -0.481 0.000 0.765 147 P CB 0.657 31.927 31.700 -0.716 0.000 0.823 148 G N 2.363 110.469 108.800 -1.157 0.000 2.308 148 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.221 148 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.221 148 G C -0.023 174.581 174.900 -0.493 0.000 1.032 148 G CA 0.181 44.548 45.100 -1.222 0.000 0.623 148 G HN 0.700 nan 8.290 nan 0.000 0.506 149 D N 1.676 121.858 120.400 -0.363 0.000 2.339 149 D HA 0.443 5.081 4.640 -0.003 0.000 0.245 149 D C 0.661 176.880 176.300 -0.134 0.000 1.115 149 D CA -0.775 53.099 54.000 -0.210 0.000 0.917 149 D CB 0.500 41.197 40.800 -0.172 0.000 1.192 149 D HN 0.171 nan 8.370 nan 0.000 0.428 150 I N 1.486 122.023 120.570 -0.055 0.000 2.452 150 I HA 0.144 4.312 4.170 -0.003 0.000 0.287 150 I C 0.175 176.288 176.117 -0.006 0.000 1.079 150 I CA -0.520 60.784 61.300 0.007 0.000 1.387 150 I CB 0.447 38.505 38.000 0.097 0.000 1.404 150 I HN 0.260 nan 8.210 nan 0.000 0.522 151 V N 6.818 126.714 119.914 -0.029 0.000 2.715 151 V HA 0.415 4.533 4.120 -0.003 0.000 0.310 151 V C -0.010 176.049 176.094 -0.058 0.000 1.054 151 V CA -0.698 61.558 62.300 -0.074 0.000 0.928 151 V CB 2.611 34.388 31.823 -0.077 0.000 1.007 151 V HN 0.803 nan 8.190 nan 0.000 0.437 152 E N 3.134 123.261 120.200 -0.123 0.000 2.222 152 E HA 0.728 5.076 4.350 -0.003 0.000 0.267 152 E C -1.617 174.935 176.600 -0.080 0.000 0.884 152 E CA -0.559 55.789 56.400 -0.087 0.000 0.764 152 E CB 2.202 31.811 29.700 -0.151 0.000 1.169 152 E HN 0.562 nan 8.360 nan 0.000 0.413 153 V N 0.265 120.153 119.914 -0.044 0.000 2.925 153 V HA 1.010 5.128 4.120 -0.003 0.000 0.311 153 V C -0.688 175.393 176.094 -0.022 0.000 1.104 153 V CA -0.503 61.775 62.300 -0.037 0.000 0.954 153 V CB 1.102 32.906 31.823 -0.033 0.000 1.022 153 V HN 0.843 nan 8.190 nan 0.000 0.427 154 A N 2.096 124.905 122.820 -0.018 0.000 2.524 154 A HA 0.900 5.218 4.320 -0.003 0.000 0.286 154 A C -0.367 177.214 177.584 -0.006 0.000 1.203 154 A CA -0.787 51.244 52.037 -0.009 0.000 0.736 154 A CB 1.551 20.547 19.000 -0.006 0.000 1.322 154 A HN 1.546 nan 8.150 nan 0.000 0.424 155 V N 0.840 120.753 119.914 -0.001 0.000 2.752 155 V HA 0.327 4.445 4.120 -0.003 0.000 0.306 155 V C 1.753 177.849 176.094 0.003 0.000 1.099 155 V CA 2.178 64.479 62.300 0.002 0.000 1.240 155 V CB -0.055 31.771 31.823 0.005 0.000 0.887 155 V HN 2.340 nan 8.190 nan 0.000 0.499 156 G N 3.562 112.366 108.800 0.006 0.000 2.579 156 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.222 156 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.222 156 G C 0.061 174.967 174.900 0.009 0.000 1.201 156 G CA 0.116 45.221 45.100 0.008 0.000 0.710 156 G HN 0.700 nan 8.290 nan 0.000 0.516 157 D N 1.662 122.063 120.400 0.002 0.000 2.571 157 D HA 0.324 4.962 4.640 -0.003 0.000 0.231 157 D C 0.567 176.873 176.300 0.010 0.000 1.133 157 D CA 0.706 54.706 54.000 0.000 0.000 0.862 157 D CB 0.854 41.648 40.800 -0.011 0.000 1.179 157 D HN 0.535 nan 8.370 nan 0.000 0.474 158 K N 1.551 121.961 120.400 0.017 0.000 2.240 158 K HA 0.266 4.583 4.320 -0.003 0.000 0.271 158 K C -0.760 175.855 176.600 0.026 0.000 1.018 158 K CA -0.791 55.516 56.287 0.033 0.000 0.874 158 K CB 0.877 33.408 32.500 0.052 0.000 1.098 158 K HN 0.118 nan 8.250 nan 0.000 0.458 159 V N 7.220 127.149 119.914 0.024 0.000 2.539 159 V HA -0.040 4.078 4.120 -0.003 0.000 0.300 159 V C -1.635 174.473 176.094 0.023 0.000 1.019 159 V CA -0.754 61.554 62.300 0.013 0.000 1.160 159 V CB 0.503 32.334 31.823 0.012 0.000 0.901 159 V HN 0.853 nan 8.190 nan 0.000 0.481 160 P HA 0.177 nan 4.420 nan 0.000 0.224 160 P C 0.269 177.577 177.300 0.014 0.000 1.157 160 P CA 1.217 64.323 63.100 0.009 0.000 0.799 160 P CB 0.476 32.170 31.700 -0.009 0.000 0.809 161 A N -1.181 121.643 122.820 0.006 0.000 2.568 161 A HA 0.521 4.839 4.320 -0.003 0.000 0.291 161 A C -1.597 175.995 177.584 0.014 0.000 1.159 161 A CA -0.548 51.495 52.037 0.009 0.000 0.679 161 A CB 0.121 19.110 19.000 -0.018 0.000 1.285 161 A HN -0.248 nan 8.150 nan 0.000 0.428 162 D N 1.021 121.437 120.400 0.027 0.000 2.336 162 D HA 0.515 5.153 4.640 -0.003 0.000 0.249 162 D C -0.496 175.792 176.300 -0.021 0.000 1.213 162 D CA 0.755 54.777 54.000 0.036 0.000 0.870 162 D CB 0.249 41.110 40.800 0.102 0.000 1.076 162 D HN 0.384 nan 8.370 nan 0.000 0.483 163 I N 2.126 122.658 120.570 -0.063 0.000 2.460 163 I HA 0.360 4.528 4.170 -0.003 0.000 0.298 163 I C 0.268 176.333 176.117 -0.085 0.000 0.989 163 I CA -1.143 60.114 61.300 -0.072 0.000 1.173 163 I CB 1.526 39.482 38.000 -0.073 0.000 1.338 163 I HN 0.035 nan 8.210 nan 0.000 0.456 164 R N 6.853 127.323 120.500 -0.050 0.000 2.229 164 R HA 0.481 4.819 4.340 -0.003 0.000 0.328 164 R C -1.091 175.190 176.300 -0.032 0.000 1.009 164 R CA -0.363 55.716 56.100 -0.035 0.000 0.864 164 R CB 0.278 30.579 30.300 0.002 0.000 1.085 164 R HN 0.534 nan 8.270 nan 0.000 0.453 165 I N 7.132 127.678 120.570 -0.040 0.000 2.452 165 I HA 0.003 4.171 4.170 -0.003 0.000 0.287 165 I C 1.042 177.154 176.117 -0.008 0.000 1.079 165 I CA -0.106 61.176 61.300 -0.029 0.000 1.387 165 I CB 0.724 38.700 38.000 -0.040 0.000 1.404 165 I HN 0.600 nan 8.210 nan 0.000 0.522 166 L N 4.757 125.980 121.223 0.001 0.000 2.102 166 L HA 0.042 4.380 4.340 -0.003 0.000 0.202 166 L C 0.738 177.614 176.870 0.009 0.000 1.076 166 L CA 0.751 55.597 54.840 0.010 0.000 0.761 166 L CB -0.250 41.819 42.059 0.018 0.000 0.921 166 L HN 0.814 nan 8.230 nan 0.000 0.444 167 S N -1.113 114.592 115.700 0.009 0.000 2.548 167 S HA 0.423 4.891 4.470 -0.003 0.000 0.278 167 S C -0.912 173.693 174.600 0.007 0.000 1.150 167 S CA -0.799 57.406 58.200 0.009 0.000 0.907 167 S CB 1.004 64.210 63.200 0.009 0.000 1.108 167 S HN 0.071 nan 8.310 nan 0.000 0.459 168 I N 3.989 124.562 120.570 0.005 0.000 2.322 168 I HA 0.240 4.408 4.170 -0.003 0.000 0.292 168 I C 1.087 177.208 176.117 0.007 0.000 1.060 168 I CA -0.754 60.546 61.300 0.000 0.000 1.309 168 I CB 0.880 38.874 38.000 -0.009 0.000 1.415 168 I HN 0.648 nan 8.210 nan 0.000 0.492 169 K N 3.564 123.970 120.400 0.011 0.000 2.057 169 K HA -0.038 4.279 4.320 -0.003 0.000 0.206 169 K C 1.183 177.789 176.600 0.011 0.000 1.050 169 K CA 0.723 57.018 56.287 0.014 0.000 0.935 169 K CB -0.370 32.144 32.500 0.024 0.000 0.715 169 K HN 0.717 nan 8.250 nan 0.000 0.439 170 S N 0.021 115.727 115.700 0.009 0.000 2.640 170 S HA 0.065 4.533 4.470 -0.003 0.000 0.262 170 S C 1.560 176.166 174.600 0.010 0.000 1.232 170 S CA 0.195 58.400 58.200 0.009 0.000 0.988 170 S CB 0.544 63.748 63.200 0.007 0.000 1.034 170 S HN 0.373 nan 8.310 nan 0.000 0.569 171 T N -2.943 111.619 114.554 0.013 0.000 2.942 171 T HA 0.171 4.519 4.350 -0.003 0.000 0.265 171 T C 0.758 175.470 174.700 0.020 0.000 1.062 171 T CA 1.051 63.162 62.100 0.018 0.000 1.139 171 T CB -0.406 68.476 68.868 0.023 0.000 0.883 171 T HN 0.776 nan 8.240 nan 0.000 0.468 172 T N 0.402 114.964 114.554 0.013 0.000 2.982 172 T HA 0.559 4.907 4.350 -0.003 0.000 0.321 172 T C -2.347 172.346 174.700 -0.012 0.000 1.229 172 T CA -0.844 61.258 62.100 0.004 0.000 1.044 172 T CB 1.618 70.500 68.868 0.023 0.000 1.184 172 T HN 0.225 nan 8.240 nan 0.000 0.477 173 L N 4.886 126.085 121.223 -0.041 0.000 2.319 173 L HA 0.741 5.079 4.340 -0.003 0.000 0.281 173 L C -0.751 176.092 176.870 -0.046 0.000 1.005 173 L CA -0.408 54.406 54.840 -0.043 0.000 0.828 173 L CB 1.056 43.080 42.059 -0.058 0.000 1.227 173 L HN 0.535 nan 8.230 nan 0.000 0.415 174 R N 4.348 124.835 120.500 -0.021 0.000 2.387 174 R HA 0.735 5.073 4.340 -0.003 0.000 0.314 174 R C -1.224 175.073 176.300 -0.005 0.000 0.958 174 R CA -0.674 55.420 56.100 -0.008 0.000 0.846 174 R CB 1.879 32.183 30.300 0.007 0.000 1.147 174 R HN 0.445 nan 8.270 nan 0.000 0.447 175 V N 1.425 121.339 119.914 -0.000 0.000 2.769 175 V HA 0.270 4.388 4.120 -0.003 0.000 0.312 175 V C -0.418 175.691 176.094 0.025 0.000 1.061 175 V CA -0.924 61.380 62.300 0.008 0.000 0.931 175 V CB 2.409 34.231 31.823 -0.002 0.000 1.010 175 V HN 0.600 nan 8.190 nan 0.000 0.433 176 D N 2.720 123.138 120.400 0.030 0.000 2.460 176 D HA 0.344 4.982 4.640 -0.003 0.000 0.232 176 D C 0.302 176.626 176.300 0.040 0.000 1.079 176 D CA -0.405 53.615 54.000 0.033 0.000 0.864 176 D CB 1.071 41.889 40.800 0.029 0.000 1.048 176 D HN 0.652 nan 8.370 nan 0.000 0.523 177 Q N 2.172 122.003 119.800 0.051 0.000 2.211 177 Q HA 0.166 4.504 4.340 -0.003 0.000 0.301 177 Q C 0.609 176.616 176.000 0.011 0.000 0.884 177 Q CA -0.415 55.421 55.803 0.055 0.000 1.115 177 Q CB 0.400 29.230 28.738 0.154 0.000 1.217 177 Q HN 0.335 nan 8.270 nan 0.000 0.451 178 S N 1.399 117.101 115.700 0.003 0.000 2.370 178 S HA -0.249 4.219 4.470 -0.003 0.000 0.226 178 S C 2.025 176.603 174.600 -0.037 0.000 1.033 178 S CA 1.473 59.668 58.200 -0.008 0.000 1.011 178 S CB -0.897 62.305 63.200 0.003 0.000 0.852 178 S HN 0.693 nan 8.310 nan 0.000 0.457 179 I N -0.832 119.698 120.570 -0.066 0.000 2.361 179 I HA 0.044 4.212 4.170 -0.003 0.000 0.251 179 I C 2.170 178.197 176.117 -0.150 0.000 1.133 179 I CA 1.273 62.503 61.300 -0.117 0.000 1.413 179 I CB -0.313 37.550 38.000 -0.229 0.000 1.073 179 I HN 0.289 nan 8.210 nan 0.000 0.424 180 L N 1.083 122.213 121.223 -0.155 0.000 2.607 180 L HA 0.203 4.541 4.340 -0.003 0.000 0.228 180 L C 1.576 178.339 176.870 -0.179 0.000 1.123 180 L CA 1.525 56.248 54.840 -0.194 0.000 0.890 180 L CB -0.228 41.685 42.059 -0.243 0.000 1.103 180 L HN 0.578 nan 8.230 nan 0.000 0.468 181 T N -6.738 107.754 114.554 -0.104 0.000 3.073 181 T HA 0.363 4.711 4.350 -0.003 0.000 0.264 181 T C 1.336 176.015 174.700 -0.035 0.000 0.893 181 T CA 0.415 62.472 62.100 -0.072 0.000 0.863 181 T CB 0.359 69.211 68.868 -0.026 0.000 1.247 181 T HN 0.326 nan 8.240 nan 0.000 0.546 182 G N 1.863 110.644 108.800 -0.030 0.000 2.176 182 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.253 182 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.253 182 G C -0.261 174.638 174.900 -0.001 0.000 0.979 182 G CA 0.080 45.172 45.100 -0.014 0.000 0.641 182 G HN 0.716 nan 8.290 nan 0.000 0.530 183 E N 1.234 121.438 120.200 0.006 0.000 2.366 183 E HA 0.397 4.745 4.350 -0.003 0.000 0.266 183 E C 1.654 178.260 176.600 0.011 0.000 1.015 183 E CA 0.226 56.635 56.400 0.014 0.000 0.906 183 E CB 0.857 30.576 29.700 0.032 0.000 0.979 183 E HN 0.457 nan 8.360 nan 0.000 0.443 184 S N 2.402 118.105 115.700 0.005 0.000 2.345 184 S HA -0.112 4.356 4.470 -0.003 0.000 0.220 184 S C 1.232 175.837 174.600 0.008 0.000 1.031 184 S CA 0.657 58.860 58.200 0.005 0.000 0.996 184 S CB -0.536 62.664 63.200 0.001 0.000 0.882 184 S HN 0.436 nan 8.310 nan 0.000 0.445 185 V N 1.617 121.535 119.914 0.007 0.000 2.904 185 V HA 0.640 4.757 4.120 -0.003 0.000 0.305 185 V C 0.308 176.417 176.094 0.024 0.000 1.067 185 V CA -0.808 61.499 62.300 0.012 0.000 1.044 185 V CB 0.965 32.793 31.823 0.007 0.000 1.050 185 V HN 0.530 nan 8.190 nan 0.000 0.475 186 S N 2.675 118.390 115.700 0.025 0.000 2.516 186 S HA 0.410 4.878 4.470 -0.003 0.000 0.282 186 S C -0.218 174.405 174.600 0.038 0.000 1.286 186 S CA -0.305 57.912 58.200 0.029 0.000 1.066 186 S CB 0.919 64.133 63.200 0.024 0.000 0.884 186 S HN 1.337 nan 8.310 nan 0.000 0.491 187 V N 4.461 124.401 119.914 0.043 0.000 2.997 187 V HA 0.504 4.622 4.120 -0.003 0.000 0.311 187 V C -0.054 176.060 176.094 0.033 0.000 1.066 187 V CA -1.184 61.151 62.300 0.057 0.000 1.039 187 V CB 1.286 33.154 31.823 0.074 0.000 1.081 187 V HN 0.962 nan 8.190 nan 0.000 0.467 188 I N 5.356 125.949 120.570 0.040 0.000 2.353 188 I HA 0.396 4.564 4.170 -0.003 0.000 0.293 188 I C -0.090 175.956 176.117 -0.118 0.000 0.992 188 I CA -0.581 60.700 61.300 -0.032 0.000 1.268 188 I CB 1.127 39.136 38.000 0.015 0.000 1.387 188 I HN 0.520 nan 8.210 nan 0.000 0.478 189 K N 5.619 125.891 120.400 -0.214 0.000 2.123 189 K HA 0.566 4.884 4.320 -0.003 0.000 0.248 189 K C -0.521 175.787 176.600 -0.488 0.000 0.969 189 K CA -0.657 55.494 56.287 -0.227 0.000 0.882 189 K CB 1.438 33.857 32.500 -0.136 0.000 1.080 189 K HN 0.485 nan 8.250 nan 0.000 0.441 190 H N -0.754 118.309 119.070 -0.012 0.000 2.949 190 H HA 0.344 4.898 4.556 -0.003 0.000 0.310 190 H C 0.183 175.492 175.328 -0.031 0.000 1.405 190 H CA -0.482 55.551 56.048 -0.024 0.000 1.253 190 H CB 1.945 31.679 29.762 -0.046 0.000 1.932 190 H HN 0.420 nan 8.280 nan 0.000 0.602 191 T N -0.270 114.355 114.554 0.118 0.000 2.969 191 T HA 0.026 4.374 4.350 -0.003 0.000 0.250 191 T C 0.270 174.985 174.700 0.024 0.000 1.021 191 T CA -0.077 62.050 62.100 0.045 0.000 1.003 191 T CB 0.408 69.294 68.868 0.030 0.000 1.040 191 T HN 0.558 nan 8.240 nan 0.000 0.492 192 E N 3.629 123.836 120.200 0.011 0.000 2.392 192 E HA 0.194 4.542 4.350 -0.003 0.000 0.264 192 E C -2.547 174.046 176.600 -0.011 0.000 1.024 192 E CA -1.735 54.651 56.400 -0.024 0.000 0.903 192 E CB 0.074 29.727 29.700 -0.078 0.000 0.963 192 E HN 0.141 nan 8.360 nan 0.000 0.432 193 P HA -0.039 nan 4.420 nan 0.000 0.270 193 P C -0.563 176.743 177.300 0.009 0.000 1.223 193 P CA -0.367 62.734 63.100 0.002 0.000 0.785 193 P CB 0.704 32.398 31.700 -0.010 0.000 0.923 194 V N 3.966 123.909 119.914 0.049 0.000 2.334 194 V HA 0.133 4.251 4.120 -0.003 0.000 0.281 194 V C -1.311 174.830 176.094 0.077 0.000 1.016 194 V CA -1.456 60.884 62.300 0.067 0.000 0.832 194 V CB 0.976 32.867 31.823 0.114 0.000 0.999 194 V HN 0.480 nan 8.190 nan 0.000 0.439 195 P HA -0.141 nan 4.420 nan 0.000 0.216 195 P C 0.528 177.858 177.300 0.050 0.000 1.153 195 P CA 0.989 64.106 63.100 0.027 0.000 0.858 195 P CB 0.141 31.847 31.700 0.010 0.000 0.789 196 D N -0.762 119.681 120.400 0.072 0.000 2.434 196 D HA -0.020 4.618 4.640 -0.003 0.000 0.252 196 D C -1.654 174.744 176.300 0.164 0.000 1.185 196 D CA -1.257 52.796 54.000 0.087 0.000 0.886 196 D CB 0.718 41.559 40.800 0.069 0.000 1.148 196 D HN 0.086 nan 8.370 nan 0.000 0.483 197 P HA 0.116 nan 4.420 nan 0.000 0.240 197 P C 0.201 177.638 177.300 0.228 0.000 1.190 197 P CA 0.451 63.657 63.100 0.176 0.000 0.781 197 P CB 0.432 32.168 31.700 0.061 0.000 0.931 198 R N -0.384 120.196 120.500 0.134 0.000 2.767 198 R HA 0.495 4.833 4.340 -0.003 0.000 0.377 198 R C 0.117 176.433 176.300 0.027 0.000 1.151 198 R CA -0.406 55.739 56.100 0.075 0.000 1.046 198 R CB 0.552 30.882 30.300 0.051 0.000 1.404 198 R HN 0.038 nan 8.270 nan 0.000 0.580 199 A N 1.073 123.886 122.820 -0.013 0.000 2.407 199 A HA 0.366 4.684 4.320 -0.003 0.000 0.248 199 A C 0.772 178.295 177.584 -0.102 0.000 1.082 199 A CA -0.524 51.472 52.037 -0.068 0.000 0.785 199 A CB 0.429 19.363 19.000 -0.110 0.000 1.020 199 A HN 0.202 nan 8.150 nan 0.000 0.489 200 V N 0.807 120.693 119.914 -0.047 0.000 3.003 200 V HA 0.198 4.316 4.120 -0.003 0.000 0.305 200 V C 0.967 177.038 176.094 -0.037 0.000 1.078 200 V CA -0.549 61.726 62.300 -0.042 0.000 1.083 200 V CB 0.427 32.247 31.823 -0.004 0.000 1.039 200 V HN 0.832 nan 8.190 nan 0.000 0.481 201 N N 1.032 119.698 118.700 -0.057 0.000 2.364 201 N HA -0.183 4.555 4.740 -0.003 0.000 0.183 201 N C 1.595 177.182 175.510 0.129 0.000 1.022 201 N CA 1.709 54.766 53.050 0.012 0.000 0.883 201 N CB -0.307 37.966 38.487 -0.357 0.000 0.965 201 N HN 0.918 nan 8.380 nan 0.000 0.438 202 Q N 0.425 120.260 119.800 0.060 0.000 2.291 202 Q HA -0.097 4.241 4.340 -0.003 0.000 0.205 202 Q C -0.017 176.049 176.000 0.110 0.000 0.970 202 Q CA 1.062 56.921 55.803 0.094 0.000 0.876 202 Q CB 0.256 29.037 28.738 0.071 0.000 0.935 202 Q HN 0.216 nan 8.270 nan 0.000 0.455 203 D N -0.340 120.109 120.400 0.082 0.000 2.398 203 D HA 0.065 4.703 4.640 -0.003 0.000 0.210 203 D C -0.471 175.862 176.300 0.055 0.000 1.094 203 D CA 0.231 54.272 54.000 0.068 0.000 0.839 203 D CB 0.436 41.263 40.800 0.045 0.000 0.963 203 D HN 0.068 nan 8.370 nan 0.000 0.506 204 K N 1.646 122.088 120.400 0.070 0.000 2.142 204 K HA 0.138 4.456 4.320 -0.003 0.000 0.250 204 K C 1.065 177.685 176.600 0.033 0.000 1.148 204 K CA -0.193 56.120 56.287 0.043 0.000 1.040 204 K CB 0.818 33.355 32.500 0.061 0.000 1.569 204 K HN -0.243 nan 8.250 nan 0.000 0.361 205 K N 0.893 121.322 120.400 0.049 0.000 2.365 205 K HA -0.094 4.224 4.320 -0.003 0.000 0.199 205 K C 0.797 177.404 176.600 0.011 0.000 1.045 205 K CA 0.891 57.211 56.287 0.054 0.000 0.962 205 K CB 0.022 32.594 32.500 0.119 0.000 0.759 205 K HN 0.504 nan 8.250 nan 0.000 0.469 206 N N -0.062 118.639 118.700 0.001 0.000 2.251 206 N HA 0.034 4.772 4.740 -0.003 0.000 0.217 206 N C -0.093 175.366 175.510 -0.084 0.000 1.124 206 N CA 0.019 53.058 53.050 -0.019 0.000 0.843 206 N CB 0.233 38.731 38.487 0.018 0.000 1.024 206 N HN -0.114 nan 8.380 nan 0.000 0.501 207 M N 0.664 120.150 119.600 -0.191 0.000 2.530 207 M HA 0.441 4.919 4.480 -0.003 0.000 0.307 207 M C -0.940 175.025 176.300 -0.558 0.000 1.161 207 M CA -0.538 54.548 55.300 -0.357 0.000 0.903 207 M CB 2.425 34.752 32.600 -0.455 0.000 1.711 207 M HN -0.055 nan 8.290 nan 0.000 0.451 208 L N 2.335 123.279 121.223 -0.464 0.000 2.317 208 L HA 0.568 4.906 4.340 -0.003 0.000 0.281 208 L C -1.159 175.447 176.870 -0.441 0.000 1.024 208 L CA -0.561 54.050 54.840 -0.383 0.000 0.810 208 L CB 1.331 43.289 42.059 -0.170 0.000 1.240 208 L HN 0.465 nan 8.230 nan 0.000 0.427 209 F N 0.753 120.694 119.950 -0.016 0.000 2.420 209 F HA 0.220 4.745 4.527 -0.003 0.000 0.342 209 F C 0.920 176.706 175.800 -0.023 0.000 1.113 209 F CA -0.521 57.465 58.000 -0.022 0.000 1.059 209 F CB 1.720 40.699 39.000 -0.035 0.000 1.128 209 F HN 0.349 nan 8.300 nan 0.000 0.475 210 S N 2.200 118.002 115.700 0.171 0.000 2.546 210 S HA 0.387 4.855 4.470 -0.003 0.000 0.290 210 S C 0.992 175.644 174.600 0.086 0.000 1.262 210 S CA 0.927 59.185 58.200 0.096 0.000 1.083 210 S CB -0.275 62.972 63.200 0.078 0.000 0.859 210 S HN 1.192 nan 8.310 nan 0.000 0.495 211 G N 3.249 112.094 108.800 0.076 0.000 2.352 211 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.204 211 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.204 211 G C 0.344 175.265 174.900 0.036 0.000 1.004 211 G CA 0.264 45.401 45.100 0.062 0.000 0.648 211 G HN 1.388 nan 8.290 nan 0.000 0.491 212 T N 0.035 114.617 114.554 0.046 0.000 2.824 212 T HA 0.631 4.979 4.350 -0.003 0.000 0.277 212 T C 0.044 174.773 174.700 0.048 0.000 0.975 212 T CA -0.152 61.974 62.100 0.043 0.000 0.966 212 T CB 1.494 70.406 68.868 0.073 0.000 1.054 212 T HN 0.255 nan 8.240 nan 0.000 0.533 213 N N 0.031 118.756 118.700 0.042 0.000 2.430 213 N HA 0.427 5.165 4.740 -0.003 0.000 0.298 213 N C -0.868 174.655 175.510 0.021 0.000 1.130 213 N CA -0.649 52.422 53.050 0.035 0.000 0.894 213 N CB 1.709 40.219 38.487 0.038 0.000 1.209 213 N HN 0.595 nan 8.380 nan 0.000 0.503 214 I N 1.673 122.251 120.570 0.013 0.000 2.301 214 I HA 0.132 4.300 4.170 -0.003 0.000 0.292 214 I C 1.349 177.471 176.117 0.009 0.000 1.046 214 I CA -0.202 61.100 61.300 0.004 0.000 1.282 214 I CB 1.132 39.130 38.000 -0.003 0.000 1.409 214 I HN 0.643 nan 8.210 nan 0.000 0.484 215 A N 5.689 128.515 122.820 0.009 0.000 1.874 215 A HA 0.458 4.776 4.320 -0.003 0.000 0.214 215 A C 1.039 178.629 177.584 0.010 0.000 1.189 215 A CA 1.149 53.194 52.037 0.012 0.000 0.615 215 A CB 0.059 19.068 19.000 0.015 0.000 0.830 215 A HN 0.707 nan 8.150 nan 0.000 0.443 216 A N -2.463 120.360 122.820 0.006 0.000 2.520 216 A HA 0.655 4.973 4.320 -0.003 0.000 0.298 216 A C 0.254 177.838 177.584 0.001 0.000 1.051 216 A CA 0.142 52.182 52.037 0.006 0.000 0.690 216 A CB 0.462 19.468 19.000 0.010 0.000 1.281 216 A HN 2.218 nan 8.150 nan 0.000 0.402 217 G N 0.559 109.361 108.800 0.002 0.000 2.566 217 G HA2 0.328 4.286 3.960 -0.003 0.000 0.599 217 G HA3 0.328 4.286 3.960 -0.003 0.000 0.599 217 G C -0.742 174.157 174.900 -0.001 0.000 1.292 217 G CA -0.138 44.962 45.100 -0.000 0.000 0.922 217 G HN 1.312 nan 8.290 nan 0.000 0.514 218 K N -0.378 120.021 120.400 -0.001 0.000 2.527 218 K HA 0.793 5.111 4.320 -0.003 0.000 0.260 218 K C -0.678 175.923 176.600 0.002 0.000 0.937 218 K CA -0.083 56.205 56.287 0.002 0.000 0.826 218 K CB 1.834 34.340 32.500 0.010 0.000 1.359 218 K HN 2.324 nan 8.250 nan 0.000 0.434 219 A N 2.638 125.459 122.820 0.002 0.000 2.601 219 A HA 0.596 4.914 4.320 -0.003 0.000 0.291 219 A C -2.242 175.350 177.584 0.013 0.000 1.075 219 A CA -0.750 51.289 52.037 0.005 0.000 0.671 219 A CB 1.365 20.358 19.000 -0.012 0.000 1.277 219 A HN 0.567 nan 8.150 nan 0.000 0.417 220 L N 0.363 121.601 121.223 0.025 0.000 2.334 220 L HA 0.936 5.274 4.340 -0.003 0.000 0.272 220 L C 0.334 177.213 176.870 0.016 0.000 1.020 220 L CA 0.692 55.558 54.840 0.042 0.000 0.812 220 L CB 2.044 44.148 42.059 0.076 0.000 1.264 220 L HN 1.432 nan 8.230 nan 0.000 0.439 221 G N 3.499 112.306 108.800 0.011 0.000 2.673 221 G HA2 0.380 4.338 3.960 -0.003 0.000 0.292 221 G HA3 0.380 4.338 3.960 -0.003 0.000 0.292 221 G C -2.062 172.827 174.900 -0.018 0.000 1.450 221 G CA -0.623 44.472 45.100 -0.008 0.000 0.837 221 G HN 0.766 nan 8.290 nan 0.000 0.505 222 I N 1.275 121.833 120.570 -0.021 0.000 2.385 222 I HA 0.504 4.671 4.170 -0.003 0.000 0.294 222 I C -0.013 176.054 176.117 -0.084 0.000 0.988 222 I CA -0.883 60.388 61.300 -0.050 0.000 1.265 222 I CB 1.449 39.445 38.000 -0.007 0.000 1.388 222 I HN 0.214 nan 8.210 nan 0.000 0.480 223 V N 8.978 128.801 119.914 -0.151 0.000 2.446 223 V HA 0.094 4.212 4.120 -0.003 0.000 0.276 223 V C 1.081 177.063 176.094 -0.187 0.000 1.030 223 V CA 0.689 62.895 62.300 -0.157 0.000 1.033 223 V CB 0.424 32.141 31.823 -0.177 0.000 0.993 223 V HN 1.017 nan 8.190 nan 0.000 0.477 224 A N 5.352 128.131 122.820 -0.068 0.000 1.832 224 A HA 0.119 4.437 4.320 -0.003 0.000 0.214 224 A C 1.212 178.797 177.584 0.002 0.000 1.242 224 A CA 1.315 53.365 52.037 0.022 0.000 0.603 224 A CB -0.284 18.739 19.000 0.038 0.000 0.902 224 A HN 0.777 nan 8.150 nan 0.000 0.455 225 T N -3.707 110.843 114.554 -0.007 0.000 2.940 225 T HA 0.584 4.932 4.350 -0.003 0.000 0.288 225 T C -0.336 174.349 174.700 -0.026 0.000 1.033 225 T CA -0.090 62.003 62.100 -0.011 0.000 1.033 225 T CB 1.677 70.569 68.868 0.041 0.000 1.079 225 T HN 0.290 nan 8.240 nan 0.000 0.496 226 T N -0.772 113.772 114.554 -0.017 0.000 2.910 226 T HA 0.633 4.981 4.350 -0.003 0.000 0.287 226 T C 1.337 176.066 174.700 0.049 0.000 1.050 226 T CA 0.643 62.747 62.100 0.007 0.000 1.011 226 T CB 0.693 69.559 68.868 -0.003 0.000 1.195 226 T HN 1.299 nan 8.240 nan 0.000 0.540 227 G N 1.207 110.042 108.800 0.059 0.000 2.679 227 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.373 227 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.373 227 G C 1.294 176.231 174.900 0.062 0.000 1.114 227 G CA 1.259 46.399 45.100 0.068 0.000 0.898 227 G HN 0.943 nan 8.290 nan 0.000 0.648 228 V N 1.231 121.184 119.914 0.065 0.000 3.305 228 V HA 0.007 4.125 4.120 -0.003 0.000 0.269 228 V C 2.494 178.620 176.094 0.053 0.000 1.157 228 V CA 2.327 64.659 62.300 0.054 0.000 1.157 228 V CB 0.384 32.239 31.823 0.053 0.000 0.772 228 V HN 0.549 nan 8.190 nan 0.000 0.498 229 S N -0.541 115.197 115.700 0.063 0.000 2.575 229 S HA 0.041 4.509 4.470 -0.003 0.000 0.215 229 S C 1.043 175.678 174.600 0.059 0.000 0.966 229 S CA 0.377 58.615 58.200 0.063 0.000 0.911 229 S CB -0.093 63.156 63.200 0.081 0.000 0.780 229 S HN 0.792 nan 8.310 nan 0.000 0.514 230 T N 0.124 114.711 114.554 0.056 0.000 2.874 230 T HA 0.305 4.653 4.350 -0.003 0.000 0.281 230 T C 0.906 175.632 174.700 0.044 0.000 0.994 230 T CA -0.611 61.530 62.100 0.068 0.000 1.015 230 T CB 0.773 69.683 68.868 0.069 0.000 1.028 230 T HN -0.148 nan 8.240 nan 0.000 0.523 231 E N 0.266 120.493 120.200 0.046 0.000 2.267 231 E HA -0.069 4.279 4.350 -0.003 0.000 0.197 231 E C 1.604 178.157 176.600 -0.078 0.000 0.998 231 E CA 0.725 57.091 56.400 -0.057 0.000 0.830 231 E CB -0.213 29.354 29.700 -0.222 0.000 0.751 231 E HN 0.729 nan 8.360 nan 0.000 0.491 232 I N -0.392 120.156 120.570 -0.036 0.000 2.867 232 I HA -0.019 4.149 4.170 -0.003 0.000 0.265 232 I C 2.039 178.154 176.117 -0.003 0.000 1.162 232 I CA 0.629 61.908 61.300 -0.034 0.000 1.471 232 I CB 0.089 38.081 38.000 -0.014 0.000 1.123 232 I HN 0.047 nan 8.210 nan 0.000 0.440 233 G N 0.400 109.208 108.800 0.015 0.000 2.448 233 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.218 233 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.218 233 G C 1.632 176.540 174.900 0.013 0.000 1.135 233 G CA 0.275 45.390 45.100 0.024 0.000 0.784 233 G HN 0.267 nan 8.290 nan 0.000 0.543 234 K N -0.259 120.142 120.400 0.002 0.000 2.217 234 K HA 0.168 4.486 4.320 -0.003 0.000 0.202 234 K C 2.205 178.794 176.600 -0.019 0.000 1.051 234 K CA 0.366 56.648 56.287 -0.007 0.000 0.952 234 K CB -0.050 32.442 32.500 -0.014 0.000 0.736 234 K HN 0.332 nan 8.250 nan 0.000 0.453 235 I N 0.589 121.143 120.570 -0.027 0.000 2.406 235 I HA -0.185 3.983 4.170 -0.003 0.000 0.249 235 I C 2.604 178.712 176.117 -0.015 0.000 1.122 235 I CA 0.643 61.925 61.300 -0.031 0.000 1.431 235 I CB -0.136 37.839 38.000 -0.042 0.000 1.087 235 I HN 0.118 nan 8.210 nan 0.000 0.424 236 R N 1.172 121.671 120.500 -0.002 0.000 2.120 236 R HA -0.201 4.137 4.340 -0.003 0.000 0.234 236 R C 1.488 177.790 176.300 0.002 0.000 1.123 236 R CA 1.790 57.894 56.100 0.007 0.000 0.975 236 R CB -0.226 30.085 30.300 0.018 0.000 0.866 236 R HN 0.337 nan 8.270 nan 0.000 0.446 237 D N 0.432 120.833 120.400 0.001 0.000 2.183 237 D HA -0.128 4.510 4.640 -0.003 0.000 0.203 237 D C 1.883 178.178 176.300 -0.009 0.000 0.969 237 D CA 1.050 55.050 54.000 -0.000 0.000 0.842 237 D CB -0.033 40.769 40.800 0.002 0.000 0.957 237 D HN 0.457 nan 8.370 nan 0.000 0.484 238 Q N -0.262 119.529 119.800 -0.015 0.000 2.137 238 Q HA 0.068 4.406 4.340 -0.003 0.000 0.198 238 Q C 2.192 178.180 176.000 -0.021 0.000 0.960 238 Q CA 0.664 56.454 55.803 -0.022 0.000 0.847 238 Q CB 0.032 28.751 28.738 -0.031 0.000 0.915 238 Q HN 0.273 nan 8.270 nan 0.000 0.448 239 M N -0.247 119.343 119.600 -0.016 0.000 2.394 239 M HA -0.045 4.433 4.480 -0.003 0.000 0.264 239 M C 2.014 178.307 176.300 -0.011 0.000 1.073 239 M CA 1.038 56.329 55.300 -0.014 0.000 1.111 239 M CB 0.051 32.645 32.600 -0.009 0.000 1.401 239 M HN 0.203 nan 8.290 nan 0.000 0.448 240 A N -0.134 122.681 122.820 -0.008 0.000 1.997 240 A HA 0.295 4.613 4.320 -0.003 0.000 0.212 240 A C 2.221 179.800 177.584 -0.009 0.000 1.178 240 A CA 1.024 53.057 52.037 -0.006 0.000 0.698 240 A CB -0.450 18.549 19.000 -0.001 0.000 0.842 240 A HN 0.409 nan 8.150 nan 0.000 0.458 241 A N -0.866 121.948 122.820 -0.011 0.000 2.167 241 A HA 0.181 4.499 4.320 -0.003 0.000 0.214 241 A C 1.431 179.005 177.584 -0.017 0.000 1.151 241 A CA 1.244 53.273 52.037 -0.013 0.000 0.735 241 A CB -0.692 18.300 19.000 -0.014 0.000 0.802 241 A HN 0.355 nan 8.150 nan 0.000 0.467 242 T N 1.181 115.724 114.554 -0.019 0.000 2.913 242 T HA 0.383 4.731 4.350 -0.003 0.000 0.297 242 T C -0.358 174.331 174.700 -0.018 0.000 1.029 242 T CA -0.349 61.738 62.100 -0.021 0.000 1.104 242 T CB 0.304 69.158 68.868 -0.023 0.000 0.964 242 T HN 0.568 nan 8.240 nan 0.000 0.532 243 E N 3.791 123.980 120.200 -0.019 0.000 2.224 243 E HA 0.380 4.728 4.350 -0.003 0.000 0.265 243 E C -0.985 175.605 176.600 -0.017 0.000 0.878 243 E CA -1.159 55.231 56.400 -0.017 0.000 0.759 243 E CB 1.148 30.839 29.700 -0.015 0.000 1.164 243 E HN 0.360 nan 8.360 nan 0.000 0.414 244 Q N 3.260 123.051 119.800 -0.016 0.000 2.294 244 Q HA 0.132 4.470 4.340 -0.003 0.000 0.257 244 Q C -0.266 175.726 176.000 -0.014 0.000 0.955 244 Q CA -0.141 55.653 55.803 -0.015 0.000 0.936 244 Q CB 1.145 29.874 28.738 -0.016 0.000 1.188 244 Q HN 0.601 nan 8.270 nan 0.000 0.420 245 D N 2.691 123.083 120.400 -0.013 0.000 1.681 245 D HA 0.029 4.667 4.640 -0.003 0.000 0.287 245 D C 0.120 176.414 176.300 -0.009 0.000 1.072 245 D CA 0.674 54.668 54.000 -0.010 0.000 0.940 245 D CB 0.363 41.158 40.800 -0.009 0.000 1.361 245 D HN 0.515 nan 8.370 nan 0.000 0.455 246 K N -1.283 119.112 120.400 -0.008 0.000 2.584 246 K HA 0.253 4.571 4.320 -0.003 0.000 0.260 246 K C -0.843 175.752 176.600 -0.007 0.000 0.949 246 K CA -0.761 55.522 56.287 -0.007 0.000 0.888 246 K CB 1.021 33.519 32.500 -0.004 0.000 1.330 246 K HN 0.164 nan 8.250 nan 0.000 0.432 247 T N 3.097 117.646 114.554 -0.009 0.000 2.723 247 T HA -0.028 4.320 4.350 -0.003 0.000 0.260 247 T C -0.752 173.942 174.700 -0.010 0.000 1.019 247 T CA -0.044 62.047 62.100 -0.014 0.000 1.155 247 T CB 0.168 69.031 68.868 -0.009 0.000 1.024 247 T HN 0.613 nan 8.240 nan 0.000 0.491 248 P HA -0.202 nan 4.420 nan 0.000 0.218 248 P C 1.673 178.979 177.300 0.010 0.000 1.152 248 P CA 1.138 64.230 63.100 -0.014 0.000 0.857 248 P CB 0.014 31.688 31.700 -0.044 0.000 0.787 249 L N -0.241 120.993 121.223 0.018 0.000 2.083 249 L HA -0.172 4.166 4.340 -0.003 0.000 0.209 249 L C 2.710 179.603 176.870 0.038 0.000 1.083 249 L CA 1.785 56.656 54.840 0.051 0.000 0.752 249 L CB -0.979 41.129 42.059 0.082 0.000 0.899 249 L HN -0.098 nan 8.230 nan 0.000 0.433 250 Q N -1.170 118.646 119.800 0.027 0.000 2.291 250 Q HA -0.206 4.132 4.340 -0.003 0.000 0.205 250 Q C 2.096 178.113 176.000 0.028 0.000 0.970 250 Q CA 1.273 57.090 55.803 0.024 0.000 0.876 250 Q CB -0.062 28.684 28.738 0.013 0.000 0.935 250 Q HN 0.682 nan 8.270 nan 0.000 0.455 251 Q N 0.562 120.379 119.800 0.028 0.000 2.123 251 Q HA -0.046 4.292 4.340 -0.003 0.000 0.196 251 Q C 1.603 177.633 176.000 0.050 0.000 0.958 251 Q CA 0.724 56.546 55.803 0.032 0.000 0.841 251 Q CB 0.172 28.924 28.738 0.023 0.000 0.915 251 Q HN 0.190 nan 8.270 nan 0.000 0.455 252 K N 0.630 121.063 120.400 0.055 0.000 2.442 252 K HA -0.068 4.250 4.320 -0.003 0.000 0.198 252 K C 1.831 178.494 176.600 0.104 0.000 1.042 252 K CA 0.472 56.805 56.287 0.077 0.000 0.958 252 K CB 0.100 32.641 32.500 0.068 0.000 0.766 252 K HN 0.177 nan 8.250 nan 0.000 0.474 253 L N 0.405 121.680 121.223 0.086 0.000 2.249 253 L HA -0.068 4.270 4.340 -0.003 0.000 0.207 253 L C 1.117 178.069 176.870 0.137 0.000 1.090 253 L CA 1.036 55.942 54.840 0.110 0.000 0.802 253 L CB 0.173 42.268 42.059 0.060 0.000 0.947 253 L HN 0.084 nan 8.230 nan 0.000 0.453 254 D N -0.223 120.230 120.400 0.088 0.000 2.194 254 D HA -0.201 4.437 4.640 -0.003 0.000 0.204 254 D C 1.756 178.099 176.300 0.071 0.000 0.964 254 D CA 0.958 54.997 54.000 0.066 0.000 0.846 254 D CB 0.194 41.017 40.800 0.038 0.000 0.962 254 D HN 0.505 nan 8.370 nan 0.000 0.490 255 E N 0.081 120.336 120.200 0.091 0.000 2.047 255 E HA -0.172 4.176 4.350 -0.003 0.000 0.191 255 E C 1.955 178.621 176.600 0.111 0.000 0.987 255 E CA 0.466 56.918 56.400 0.086 0.000 0.799 255 E CB -0.186 29.569 29.700 0.093 0.000 0.752 255 E HN 0.168 nan 8.360 nan 0.000 0.449 256 F N 1.043 121.002 119.950 0.016 0.000 2.216 256 F HA -0.007 4.518 4.527 -0.003 0.000 0.300 256 F C 1.866 177.671 175.800 0.007 0.000 1.085 256 F CA 1.839 59.847 58.000 0.014 0.000 1.326 256 F CB -0.509 38.496 39.000 0.009 0.000 1.027 256 F HN 0.076 nan 8.300 nan 0.000 0.497 257 G N 0.012 108.817 108.800 0.008 0.000 2.404 257 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.215 257 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.215 257 G C 1.473 176.288 174.900 -0.143 0.000 1.174 257 G CA 0.721 45.765 45.100 -0.094 0.000 0.780 257 G HN 0.310 nan 8.290 nan 0.000 0.537 258 E N 0.663 120.817 120.200 -0.076 0.000 2.085 258 E HA -0.124 4.224 4.350 -0.003 0.000 0.194 258 E C 2.692 179.231 176.600 -0.102 0.000 0.994 258 E CA 0.883 57.244 56.400 -0.066 0.000 0.801 258 E CB -0.278 29.404 29.700 -0.029 0.000 0.743 258 E HN 0.387 nan 8.360 nan 0.000 0.453 259 Q N 0.171 119.887 119.800 -0.141 0.000 2.020 259 Q HA -0.054 4.284 4.340 -0.003 0.000 0.198 259 Q C 2.242 178.099 176.000 -0.239 0.000 0.974 259 Q CA 0.482 56.191 55.803 -0.156 0.000 0.829 259 Q CB -0.679 27.982 28.738 -0.128 0.000 0.894 259 Q HN 0.226 nan 8.270 nan 0.000 0.433 260 L N 1.014 121.963 121.223 -0.455 0.000 2.642 260 L HA -0.054 4.284 4.340 -0.003 0.000 0.236 260 L C 1.813 178.539 176.870 -0.240 0.000 1.169 260 L CA 1.211 55.775 54.840 -0.460 0.000 0.851 260 L CB -0.424 41.144 42.059 -0.818 0.000 0.968 260 L HN 0.051 nan 8.230 nan 0.000 0.453 261 S N -1.479 114.115 115.700 -0.177 0.000 2.506 261 S HA 0.025 4.493 4.470 -0.003 0.000 0.230 261 S C 1.884 176.438 174.600 -0.075 0.000 1.066 261 S CA 0.261 58.400 58.200 -0.102 0.000 0.940 261 S CB 0.079 63.231 63.200 -0.079 0.000 0.818 261 S HN 0.505 nan 8.310 nan 0.000 0.518 262 K N 0.845 121.199 120.400 -0.076 0.000 2.057 262 K HA 0.018 4.336 4.320 -0.003 0.000 0.206 262 K C 1.977 178.545 176.600 -0.053 0.000 1.050 262 K CA 1.359 57.614 56.287 -0.053 0.000 0.935 262 K CB -0.418 32.054 32.500 -0.047 0.000 0.715 262 K HN 0.171 nan 8.250 nan 0.000 0.439 263 V N 1.952 121.824 119.914 -0.070 0.000 2.287 263 V HA -0.265 3.853 4.120 -0.003 0.000 0.248 263 V C 2.195 178.254 176.094 -0.060 0.000 1.053 263 V CA 1.644 63.904 62.300 -0.066 0.000 1.027 263 V CB -0.333 31.442 31.823 -0.080 0.000 0.646 263 V HN 0.284 nan 8.190 nan 0.000 0.447 264 I N 0.713 121.247 120.570 -0.060 0.000 2.118 264 I HA -0.297 3.871 4.170 -0.003 0.000 0.241 264 I C 2.624 178.732 176.117 -0.015 0.000 1.070 264 I CA 2.142 63.421 61.300 -0.035 0.000 1.327 264 I CB -0.435 37.546 38.000 -0.033 0.000 1.034 264 I HN 0.482 nan 8.210 nan 0.000 0.405 265 S N 0.784 116.472 115.700 -0.019 0.000 2.419 265 S HA -0.112 4.356 4.470 -0.003 0.000 0.233 265 S C 1.924 176.521 174.600 -0.005 0.000 1.016 265 S CA 0.864 59.058 58.200 -0.010 0.000 0.974 265 S CB -0.735 62.455 63.200 -0.016 0.000 0.786 265 S HN 0.380 nan 8.310 nan 0.000 0.492 266 L N 0.859 122.075 121.223 -0.012 0.000 2.027 266 L HA 0.042 4.380 4.340 -0.003 0.000 0.206 266 L C 2.588 179.466 176.870 0.015 0.000 1.074 266 L CA 1.199 56.036 54.840 -0.004 0.000 0.745 266 L CB -0.570 41.476 42.059 -0.021 0.000 0.898 266 L HN 0.260 nan 8.230 nan 0.000 0.433 267 I N -0.609 119.959 120.570 -0.005 0.000 2.300 267 I HA -0.408 3.760 4.170 -0.003 0.000 0.252 267 I C 2.440 178.632 176.117 0.126 0.000 1.119 267 I CA 1.222 62.540 61.300 0.030 0.000 1.384 267 I CB -0.192 37.811 38.000 0.004 0.000 1.062 267 I HN 0.475 nan 8.210 nan 0.000 0.426 268 C N -0.757 118.588 119.300 0.075 0.000 2.486 268 C HA -0.049 4.409 4.460 -0.003 0.000 0.279 268 C C 2.769 177.822 174.990 0.105 0.000 1.302 268 C CA 0.079 59.137 59.018 0.067 0.000 1.720 268 C CB -0.436 27.320 27.740 0.027 0.000 2.030 268 C HN 0.323 nan 8.230 nan 0.000 0.490 269 V N 1.610 121.577 119.914 0.089 0.000 2.295 269 V HA -0.225 3.893 4.120 -0.003 0.000 0.246 269 V C 2.723 178.954 176.094 0.228 0.000 1.049 269 V CA 2.315 64.699 62.300 0.139 0.000 1.024 269 V CB -1.242 30.627 31.823 0.077 0.000 0.648 269 V HN 0.589 nan 8.190 nan 0.000 0.447 270 A N -0.319 122.606 122.820 0.176 0.000 1.851 270 A HA -0.197 4.121 4.320 -0.003 0.000 0.216 270 A C 2.408 180.119 177.584 0.213 0.000 1.195 270 A CA 2.224 54.382 52.037 0.202 0.000 0.622 270 A CB -0.935 18.194 19.000 0.216 0.000 0.831 270 A HN 0.300 nan 8.150 nan 0.000 0.444 271 V N -1.954 118.100 119.914 0.233 0.000 2.380 271 V HA -0.289 3.829 4.120 -0.003 0.000 0.251 271 V C 2.181 178.263 176.094 -0.020 0.000 1.063 271 V CA 2.211 64.545 62.300 0.056 0.000 1.055 271 V CB -0.844 30.977 31.823 -0.004 0.000 0.657 271 V HN 0.852 nan 8.190 nan 0.000 0.455 272 W N 0.236 121.464 121.300 -0.119 0.000 2.358 272 W HA -0.141 4.517 4.660 -0.003 0.000 0.303 272 W C 2.119 178.601 176.519 -0.062 0.000 1.208 272 W CA 1.603 58.874 57.345 -0.122 0.000 1.274 272 W CB -0.221 29.191 29.460 -0.079 0.000 1.138 272 W HN 0.180 nan 8.180 nan 0.000 0.515 273 L N 0.256 121.425 121.223 -0.090 0.000 2.109 273 L HA -0.225 4.113 4.340 -0.003 0.000 0.207 273 L C 2.322 179.062 176.870 -0.217 0.000 1.086 273 L CA 0.690 55.374 54.840 -0.261 0.000 0.760 273 L CB -0.949 41.095 42.059 -0.025 0.000 0.910 273 L HN -0.047 nan 8.230 nan 0.000 0.437 274 I N -0.070 120.434 120.570 -0.110 0.000 2.454 274 I HA -0.224 3.944 4.170 -0.003 0.000 0.254 274 I C 0.859 176.908 176.117 -0.112 0.000 1.156 274 I CA 1.361 62.610 61.300 -0.085 0.000 1.433 274 I CB -0.879 37.072 38.000 -0.080 0.000 1.082 274 I HN 0.378 nan 8.210 nan 0.000 0.432 275 N N 0.694 119.283 118.700 -0.185 0.000 2.635 275 N HA 0.131 4.869 4.740 -0.003 0.000 0.307 275 N C 1.138 176.528 175.510 -0.201 0.000 1.433 275 N CA -0.015 52.942 53.050 -0.154 0.000 0.973 275 N CB 1.157 39.504 38.487 -0.233 0.000 1.304 275 N HN 0.173 nan 8.380 nan 0.000 0.507 276 I N 0.328 120.756 120.570 -0.236 0.000 3.226 276 I HA 0.090 4.258 4.170 -0.003 0.000 0.277 276 I C 2.077 178.206 176.117 0.020 0.000 1.243 276 I CA 0.511 61.631 61.300 -0.299 0.000 1.459 276 I CB -0.044 37.674 38.000 -0.470 0.000 1.093 276 I HN 0.186 nan 8.210 nan 0.000 0.453 277 G N -0.849 107.999 108.800 0.080 0.000 2.470 277 G HA2 -0.290 3.667 3.960 -0.003 0.000 0.220 277 G HA3 -0.290 3.667 3.960 -0.003 0.000 0.220 277 G C 1.346 176.348 174.900 0.170 0.000 1.121 277 G CA 0.768 45.931 45.100 0.105 0.000 0.766 277 G HN 0.444 nan 8.290 nan 0.000 0.553 278 H N -0.567 118.549 119.070 0.076 0.000 2.492 278 H HA -0.032 4.522 4.556 -0.003 0.000 0.296 278 H C 1.541 176.881 175.328 0.019 0.000 1.095 278 H CA 0.768 56.842 56.048 0.043 0.000 1.281 278 H CB -0.269 29.511 29.762 0.030 0.000 1.374 278 H HN 0.429 nan 8.280 nan 0.000 0.545 279 F N -0.160 119.827 119.950 0.062 0.000 2.802 279 F HA 0.046 4.571 4.527 -0.003 0.000 0.300 279 F C 0.859 176.668 175.800 0.014 0.000 1.168 279 F CA 0.422 58.445 58.000 0.038 0.000 1.433 279 F CB 0.154 39.167 39.000 0.022 0.000 1.115 279 F HN 0.106 nan 8.300 nan 0.000 0.582 280 N N 0.435 119.214 118.700 0.131 0.000 2.541 280 N HA 0.090 4.828 4.740 -0.003 0.000 0.297 280 N C -0.844 174.671 175.510 0.007 0.000 1.503 280 N CA 0.124 53.212 53.050 0.062 0.000 0.919 280 N CB 0.415 38.935 38.487 0.055 0.000 1.305 280 N HN 0.079 nan 8.380 nan 0.000 0.501 281 D N 0.335 120.723 120.400 -0.020 0.000 2.493 281 D HA 0.446 5.084 4.640 -0.003 0.000 0.239 281 D C -2.246 174.029 176.300 -0.043 0.000 1.049 281 D CA -1.273 52.696 54.000 -0.052 0.000 1.008 281 D CB 1.122 41.859 40.800 -0.105 0.000 1.398 281 D HN -0.098 nan 8.370 nan 0.000 0.513 282 P HA 0.009 nan 4.420 nan 0.000 0.264 282 P C 1.251 178.526 177.300 -0.043 0.000 1.193 282 P CA -0.230 62.862 63.100 -0.012 0.000 0.763 282 P CB 0.668 32.375 31.700 0.010 0.000 0.810 283 V N 0.681 120.551 119.914 -0.073 0.000 2.515 283 V HA -0.231 3.887 4.120 -0.003 0.000 0.250 283 V C 1.181 177.104 176.094 -0.284 0.000 1.058 283 V CA 1.531 63.712 62.300 -0.198 0.000 1.064 283 V CB -1.511 30.147 31.823 -0.275 0.000 0.675 283 V HN 0.550 nan 8.190 nan 0.000 0.461 284 H N 0.924 119.959 119.070 -0.059 0.000 2.553 284 H HA 0.401 4.955 4.556 -0.003 0.000 0.265 284 H C 2.264 177.577 175.328 -0.026 0.000 0.964 284 H CA 0.489 56.502 56.048 -0.058 0.000 1.156 284 H CB -0.097 29.637 29.762 -0.047 0.000 1.411 284 H HN 0.482 nan 8.280 nan 0.000 0.558 285 G N 1.013 109.856 108.800 0.071 0.000 2.843 285 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.232 285 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.232 285 G C 0.893 175.846 174.900 0.089 0.000 1.186 285 G CA 1.203 46.336 45.100 0.056 0.000 0.766 285 G HN 0.834 nan 8.290 nan 0.000 0.647 286 G N -3.049 105.836 108.800 0.143 0.000 2.497 286 G HA2 0.367 4.325 3.960 -0.003 0.000 0.686 286 G HA3 0.367 4.325 3.960 -0.003 0.000 0.686 286 G C 0.795 175.805 174.900 0.183 0.000 1.288 286 G CA 1.105 46.367 45.100 0.271 0.000 0.899 286 G HN 2.223 nan 8.290 nan 0.000 0.608 287 S N -2.585 113.174 115.700 0.099 0.000 2.765 287 S HA -0.261 4.207 4.470 -0.003 0.000 0.266 287 S C 1.766 176.265 174.600 -0.169 0.000 1.302 287 S CA 1.855 59.981 58.200 -0.124 0.000 1.274 287 S CB -2.625 60.502 63.200 -0.122 0.000 1.559 287 S HN 2.507 nan 8.310 nan 0.000 0.658 288 W N 1.271 122.518 121.300 -0.088 0.000 2.304 288 W HA -0.136 4.522 4.660 -0.004 0.000 0.315 288 W C 1.819 178.286 176.519 -0.086 0.000 1.233 288 W CA 1.199 58.492 57.345 -0.087 0.000 1.261 288 W CB -1.606 27.814 29.460 -0.066 0.000 1.150 288 W HN 0.531 nan 8.180 nan 0.000 0.494 289 I N 1.838 121.884 120.570 -0.874 0.000 2.546 289 I HA -0.150 4.018 4.170 -0.003 0.000 0.255 289 I C 2.651 178.516 176.117 -0.421 0.000 1.163 289 I CA 1.157 62.011 61.300 -0.745 0.000 1.457 289 I CB -0.384 36.900 38.000 -1.193 0.000 1.092 289 I HN -0.238 nan 8.210 nan 0.000 0.434 290 R N 0.417 120.679 120.500 -0.397 0.000 2.090 290 R HA 0.082 4.419 4.340 -0.003 0.000 0.228 290 R C 2.252 178.412 176.300 -0.233 0.000 1.110 290 R CA 1.107 57.046 56.100 -0.268 0.000 0.973 290 R CB -1.502 28.645 30.300 -0.254 0.000 0.869 290 R HN 0.481 nan 8.270 nan 0.000 0.440 291 G N 0.991 109.625 108.800 -0.277 0.000 2.418 291 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.217 291 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.217 291 G C 1.581 176.242 174.900 -0.398 0.000 1.158 291 G CA 0.956 45.828 45.100 -0.379 0.000 0.771 291 G HN 0.415 nan 8.290 nan 0.000 0.545 292 A N 0.440 123.107 122.820 -0.254 0.000 1.969 292 A HA 0.135 4.453 4.320 -0.003 0.000 0.218 292 A C 2.338 179.853 177.584 -0.115 0.000 1.169 292 A CA 0.987 52.881 52.037 -0.239 0.000 0.635 292 A CB -0.268 18.638 19.000 -0.157 0.000 0.810 292 A HN 0.392 nan 8.150 nan 0.000 0.445 293 I N -2.089 118.468 120.570 -0.022 0.000 2.546 293 I HA -0.178 3.990 4.170 -0.003 0.000 0.255 293 I C 2.329 178.525 176.117 0.132 0.000 1.163 293 I CA 1.049 62.406 61.300 0.094 0.000 1.457 293 I CB -0.217 37.793 38.000 0.017 0.000 1.092 293 I HN 0.550 nan 8.210 nan 0.000 0.434 294 Y N 0.922 121.168 120.300 -0.090 0.000 2.133 294 Y HA -0.294 4.254 4.550 -0.003 0.000 0.287 294 Y C 2.353 178.327 175.900 0.124 0.000 1.134 294 Y CA 1.706 59.786 58.100 -0.033 0.000 1.133 294 Y CB -0.358 37.989 38.460 -0.187 0.000 0.987 294 Y HN 0.047 nan 8.280 nan 0.000 0.502 295 Y N -1.238 119.102 120.300 0.067 0.000 2.242 295 Y HA -0.182 4.366 4.550 -0.003 0.000 0.291 295 Y C 2.300 178.212 175.900 0.021 0.000 1.137 295 Y CA 0.664 58.737 58.100 -0.044 0.000 1.181 295 Y CB -1.356 37.071 38.460 -0.055 0.000 0.989 295 Y HN 0.160 nan 8.280 nan 0.000 0.527 296 F N 0.466 120.516 119.950 0.168 0.000 2.186 296 F HA -0.118 4.407 4.527 -0.003 0.000 0.299 296 F C 2.338 178.169 175.800 0.051 0.000 1.090 296 F CA 1.152 59.210 58.000 0.097 0.000 1.307 296 F CB -0.637 38.410 39.000 0.078 0.000 1.019 296 F HN -0.003 nan 8.300 nan 0.000 0.489 297 K N 0.197 120.731 120.400 0.223 0.000 2.296 297 K HA -0.061 4.257 4.320 -0.003 0.000 0.200 297 K C 2.076 178.695 176.600 0.032 0.000 1.048 297 K CA 0.584 56.930 56.287 0.099 0.000 0.966 297 K CB -0.126 32.413 32.500 0.065 0.000 0.754 297 K HN 0.305 nan 8.250 nan 0.000 0.466 298 I N -0.062 120.503 120.570 -0.009 0.000 3.226 298 I HA -0.041 4.127 4.170 -0.003 0.000 0.277 298 I C 1.798 177.928 176.117 0.021 0.000 1.243 298 I CA 0.387 61.653 61.300 -0.058 0.000 1.459 298 I CB 0.083 37.977 38.000 -0.177 0.000 1.093 298 I HN 0.116 nan 8.210 nan 0.000 0.453 299 A N 0.484 123.355 122.820 0.084 0.000 1.930 299 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 299 A C 2.268 179.898 177.584 0.076 0.000 1.175 299 A CA 1.873 53.970 52.037 0.100 0.000 0.627 299 A CB -0.974 18.133 19.000 0.178 0.000 0.815 299 A HN 0.426 nan 8.150 nan 0.000 0.443 300 V N -2.567 117.392 119.914 0.074 0.000 2.548 300 V HA 0.011 4.129 4.120 -0.003 0.000 0.249 300 V C 2.454 178.576 176.094 0.047 0.000 1.055 300 V CA 1.722 64.058 62.300 0.058 0.000 1.065 300 V CB -1.320 30.538 31.823 0.059 0.000 0.681 300 V HN 0.468 nan 8.190 nan 0.000 0.462 301 A N 0.703 123.545 122.820 0.037 0.000 1.898 301 A HA -0.060 4.258 4.320 -0.003 0.000 0.216 301 A C 2.147 179.749 177.584 0.031 0.000 1.181 301 A CA 1.954 54.009 52.037 0.029 0.000 0.620 301 A CB -0.683 18.324 19.000 0.012 0.000 0.819 301 A HN 0.575 nan 8.150 nan 0.000 0.442 302 L N -0.064 121.179 121.223 0.033 0.000 2.012 302 L HA -0.094 4.244 4.340 -0.003 0.000 0.210 302 L C 2.633 179.521 176.870 0.031 0.000 1.073 302 L CA 2.323 57.185 54.840 0.036 0.000 0.748 302 L CB -0.872 41.213 42.059 0.044 0.000 0.891 302 L HN 0.337 nan 8.230 nan 0.000 0.431 303 A N -0.903 121.937 122.820 0.034 0.000 1.930 303 A HA -0.120 4.198 4.320 -0.003 0.000 0.217 303 A C 2.197 179.800 177.584 0.031 0.000 1.175 303 A CA 1.847 53.902 52.037 0.030 0.000 0.627 303 A CB -1.182 17.839 19.000 0.035 0.000 0.815 303 A HN 0.533 nan 8.150 nan 0.000 0.443 304 V N -3.584 116.351 119.914 0.035 0.000 3.461 304 V HA 0.385 4.503 4.120 -0.003 0.000 0.267 304 V C 1.869 177.980 176.094 0.028 0.000 1.186 304 V CA 1.428 63.750 62.300 0.036 0.000 1.154 304 V CB -0.384 31.466 31.823 0.046 0.000 0.802 304 V HN 0.462 nan 8.190 nan 0.000 0.474 305 A N 0.170 123.004 122.820 0.025 0.000 2.014 305 A HA 0.608 4.926 4.320 -0.003 0.000 0.210 305 A C 2.310 179.901 177.584 0.012 0.000 1.188 305 A CA 1.096 53.142 52.037 0.015 0.000 0.731 305 A CB -0.409 18.602 19.000 0.017 0.000 0.858 305 A HN 0.832 nan 8.150 nan 0.000 0.464 306 A N -0.054 122.778 122.820 0.020 0.000 1.930 306 A HA 0.286 4.603 4.320 -0.003 0.000 0.215 306 A C 0.941 178.565 177.584 0.067 0.000 1.176 306 A CA 0.400 52.453 52.037 0.027 0.000 0.632 306 A CB -0.351 18.652 19.000 0.005 0.000 0.819 306 A HN 0.423 nan 8.150 nan 0.000 0.445 307 I N 1.643 122.248 120.570 0.059 0.000 2.474 307 I HA 0.198 4.366 4.170 -0.003 0.000 0.287 307 I C -2.226 173.920 176.117 0.047 0.000 1.048 307 I CA -2.101 59.252 61.300 0.088 0.000 1.383 307 I CB 1.414 39.452 38.000 0.063 0.000 1.412 307 I HN 0.094 nan 8.210 nan 0.000 0.531 308 P HA 0.206 nan 4.420 nan 0.000 0.262 308 P C -0.394 176.883 177.300 -0.037 0.000 1.620 308 P CA -0.309 62.770 63.100 -0.036 0.000 1.089 308 P CB 0.815 32.462 31.700 -0.088 0.000 1.601 309 E N 2.048 122.227 120.200 -0.035 0.000 2.204 309 E HA -0.069 4.279 4.350 -0.003 0.000 0.194 309 E C 2.232 178.796 176.600 -0.060 0.000 0.989 309 E CA 1.496 57.875 56.400 -0.035 0.000 0.824 309 E CB -0.510 29.178 29.700 -0.020 0.000 0.756 309 E HN 0.520 nan 8.360 nan 0.000 0.477 310 G N 0.272 109.020 108.800 -0.087 0.000 2.551 310 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.216 310 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.216 310 G C 1.381 176.211 174.900 -0.118 0.000 1.137 310 G CA -0.030 45.003 45.100 -0.111 0.000 0.798 310 G HN 0.111 nan 8.290 nan 0.000 0.536 311 L N 1.742 122.904 121.223 -0.103 0.000 1.978 311 L HA -0.050 4.288 4.340 -0.003 0.000 0.218 311 L C 0.143 176.973 176.870 -0.066 0.000 1.075 311 L CA 2.227 57.016 54.840 -0.085 0.000 0.767 311 L CB -1.122 40.901 42.059 -0.060 0.000 0.890 311 L HN 0.082 nan 8.230 nan 0.000 0.434 312 P HA -0.213 nan 4.420 nan 0.000 0.217 312 P C 1.465 178.735 177.300 -0.050 0.000 1.151 312 P CA 2.124 65.202 63.100 -0.035 0.000 0.849 312 P CB -0.178 31.500 31.700 -0.036 0.000 0.787 313 A N -0.896 121.877 122.820 -0.079 0.000 1.873 313 A HA -0.134 4.184 4.320 -0.003 0.000 0.215 313 A C 2.295 179.796 177.584 -0.138 0.000 1.186 313 A CA 1.720 53.700 52.037 -0.095 0.000 0.616 313 A CB -1.589 17.347 19.000 -0.105 0.000 0.823 313 A HN 0.026 nan 8.150 nan 0.000 0.442 314 V N 0.444 120.232 119.914 -0.211 0.000 2.407 314 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 314 V C 2.382 178.246 176.094 -0.382 0.000 1.055 314 V CA 1.928 63.995 62.300 -0.390 0.000 1.049 314 V CB -0.733 30.743 31.823 -0.578 0.000 0.662 314 V HN 0.548 nan 8.190 nan 0.000 0.455 315 I N 0.920 121.405 120.570 -0.141 0.000 2.233 315 I HA -0.182 3.986 4.170 -0.003 0.000 0.243 315 I C 2.753 178.902 176.117 0.053 0.000 1.093 315 I CA 1.960 63.317 61.300 0.095 0.000 1.380 315 I CB -0.801 37.289 38.000 0.151 0.000 1.067 315 I HN 0.481 nan 8.210 nan 0.000 0.413 316 T N -1.968 112.590 114.554 0.007 0.000 2.995 316 T HA -0.112 4.236 4.350 -0.003 0.000 0.269 316 T C 1.762 176.465 174.700 0.004 0.000 1.091 316 T CA 1.509 63.618 62.100 0.015 0.000 1.128 316 T CB -0.697 68.178 68.868 0.012 0.000 0.891 316 T HN 0.480 nan 8.240 nan 0.000 0.492 317 T N -2.042 112.493 114.554 -0.032 0.000 3.054 317 T HA 0.044 4.392 4.350 -0.003 0.000 0.259 317 T C 2.206 176.904 174.700 -0.004 0.000 1.092 317 T CA 0.602 62.684 62.100 -0.030 0.000 1.121 317 T CB -0.844 67.983 68.868 -0.068 0.000 0.912 317 T HN 0.502 nan 8.240 nan 0.000 0.489 318 C N 0.637 119.938 119.300 0.001 0.000 2.486 318 C HA 0.330 4.788 4.460 -0.003 0.000 0.279 318 C C 2.535 177.584 174.990 0.099 0.000 1.302 318 C CA -0.028 59.037 59.018 0.079 0.000 1.720 318 C CB -1.534 26.304 27.740 0.164 0.000 2.030 318 C HN 0.632 nan 8.230 nan 0.000 0.490 319 L N 1.413 122.686 121.223 0.085 0.000 2.005 319 L HA -0.015 4.323 4.340 -0.003 0.000 0.207 319 L C 3.112 180.009 176.870 0.045 0.000 1.072 319 L CA 1.663 56.544 54.840 0.069 0.000 0.744 319 L CB -1.027 41.071 42.059 0.065 0.000 0.895 319 L HN 0.381 nan 8.230 nan 0.000 0.433 320 A N 0.114 122.956 122.820 0.037 0.000 1.986 320 A HA -0.199 4.119 4.320 -0.003 0.000 0.220 320 A C 2.276 179.870 177.584 0.017 0.000 1.171 320 A CA 1.577 53.630 52.037 0.027 0.000 0.640 320 A CB -0.691 18.325 19.000 0.027 0.000 0.811 320 A HN 0.366 nan 8.150 nan 0.000 0.451 321 L N -1.204 120.031 121.223 0.020 0.000 2.005 321 L HA -0.102 4.236 4.340 -0.003 0.000 0.207 321 L C 2.922 179.786 176.870 -0.009 0.000 1.072 321 L CA 1.291 56.130 54.840 -0.002 0.000 0.744 321 L CB -1.118 40.950 42.059 0.014 0.000 0.895 321 L HN 0.494 nan 8.230 nan 0.000 0.433 322 G N -0.833 107.977 108.800 0.016 0.000 2.442 322 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.219 322 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.219 322 G C 1.538 176.440 174.900 0.004 0.000 1.141 322 G CA 1.365 46.472 45.100 0.011 0.000 0.763 322 G HN 0.266 nan 8.290 nan 0.000 0.554 323 T N 0.822 115.382 114.554 0.010 0.000 2.570 323 T HA -0.184 4.164 4.350 -0.003 0.000 0.266 323 T C 2.499 177.197 174.700 -0.003 0.000 1.071 323 T CA 1.635 63.739 62.100 0.005 0.000 1.172 323 T CB -0.217 68.657 68.868 0.011 0.000 0.864 323 T HN 0.350 nan 8.240 nan 0.000 0.421 324 R N 0.465 120.961 120.500 -0.007 0.000 2.127 324 R HA -0.029 4.309 4.340 -0.003 0.000 0.238 324 R C 2.643 178.930 176.300 -0.021 0.000 1.134 324 R CA 1.133 57.225 56.100 -0.014 0.000 0.975 324 R CB -0.253 30.036 30.300 -0.018 0.000 0.865 324 R HN 0.302 nan 8.270 nan 0.000 0.447 325 R N 0.676 121.160 120.500 -0.027 0.000 2.115 325 R HA -0.019 4.319 4.340 -0.003 0.000 0.230 325 R C 2.086 178.373 176.300 -0.022 0.000 1.111 325 R CA 1.182 57.263 56.100 -0.032 0.000 0.976 325 R CB 0.059 30.335 30.300 -0.039 0.000 0.870 325 R HN 0.204 nan 8.270 nan 0.000 0.445 326 M N -0.568 119.022 119.600 -0.016 0.000 2.236 326 M HA 0.019 4.497 4.480 -0.003 0.000 0.266 326 M C 2.315 178.605 176.300 -0.016 0.000 1.070 326 M CA 1.229 56.520 55.300 -0.015 0.000 1.137 326 M CB -0.046 32.546 32.600 -0.013 0.000 1.378 326 M HN 0.202 nan 8.290 nan 0.000 0.426 327 A N 0.476 123.288 122.820 -0.013 0.000 2.131 327 A HA -0.148 4.170 4.320 -0.003 0.000 0.220 327 A C 2.007 179.585 177.584 -0.011 0.000 1.158 327 A CA 1.447 53.477 52.037 -0.011 0.000 0.665 327 A CB -0.548 18.447 19.000 -0.008 0.000 0.795 327 A HN 0.429 nan 8.150 nan 0.000 0.460 328 K N -0.708 119.684 120.400 -0.014 0.000 2.400 328 K HA 0.049 4.367 4.320 -0.003 0.000 0.194 328 K C 0.343 176.935 176.600 -0.012 0.000 1.033 328 K CA 0.579 56.858 56.287 -0.013 0.000 1.021 328 K CB 0.135 32.626 32.500 -0.015 0.000 0.808 328 K HN 0.353 nan 8.250 nan 0.000 0.505 329 K N 1.200 121.591 120.400 -0.015 0.000 2.861 329 K HA 0.152 4.470 4.320 -0.003 0.000 0.210 329 K C -0.616 175.973 176.600 -0.017 0.000 1.112 329 K CA -0.174 56.103 56.287 -0.016 0.000 1.076 329 K CB 0.528 33.016 32.500 -0.019 0.000 0.853 329 K HN 0.043 nan 8.250 nan 0.000 0.463 330 N N 0.670 119.362 118.700 -0.013 0.000 2.708 330 N HA -0.208 4.529 4.740 -0.003 0.000 0.249 330 N C -0.808 174.692 175.510 -0.017 0.000 1.097 330 N CA 1.148 54.191 53.050 -0.012 0.000 0.710 330 N CB -1.077 37.404 38.487 -0.009 0.000 1.032 330 N HN 0.412 nan 8.380 nan 0.000 0.551 331 A N 0.598 123.406 122.820 -0.019 0.000 2.431 331 A HA 0.600 4.918 4.320 -0.003 0.000 0.318 331 A C 0.406 177.980 177.584 -0.017 0.000 1.330 331 A CA -0.546 51.477 52.037 -0.023 0.000 0.804 331 A CB 0.530 19.512 19.000 -0.030 0.000 1.135 331 A HN 0.267 nan 8.150 nan 0.000 0.483 332 I N 3.639 124.200 120.570 -0.014 0.000 2.294 332 I HA 0.125 4.293 4.170 -0.003 0.000 0.295 332 I C -0.335 175.774 176.117 -0.012 0.000 1.098 332 I CA -0.328 60.965 61.300 -0.011 0.000 1.277 332 I CB 0.997 38.992 38.000 -0.009 0.000 1.434 332 I HN 0.289 nan 8.210 nan 0.000 0.498 333 V N 7.849 127.756 119.914 -0.010 0.000 2.432 333 V HA 0.230 4.348 4.120 -0.003 0.000 0.271 333 V C 1.237 177.326 176.094 -0.009 0.000 1.046 333 V CA -0.364 61.930 62.300 -0.010 0.000 0.945 333 V CB 0.770 32.590 31.823 -0.006 0.000 0.992 333 V HN 0.745 nan 8.190 nan 0.000 0.471 334 R N 2.611 123.104 120.500 -0.013 0.000 2.043 334 R HA 0.058 4.396 4.340 -0.003 0.000 0.221 334 R C 1.257 177.547 176.300 -0.016 0.000 1.196 334 R CA 0.806 56.896 56.100 -0.017 0.000 0.949 334 R CB -0.344 29.944 30.300 -0.021 0.000 0.838 334 R HN 0.605 nan 8.270 nan 0.000 0.446 335 S N 1.802 117.492 115.700 -0.016 0.000 2.465 335 S HA 0.093 4.561 4.470 -0.003 0.000 0.280 335 S C 1.471 176.068 174.600 -0.004 0.000 1.232 335 S CA -0.491 57.701 58.200 -0.013 0.000 1.066 335 S CB 0.308 63.499 63.200 -0.015 0.000 0.929 335 S HN 0.249 nan 8.310 nan 0.000 0.494 336 L N 5.798 127.023 121.223 0.003 0.000 2.005 336 L HA 0.021 4.359 4.340 -0.003 0.000 0.207 336 L C -0.623 176.258 176.870 0.019 0.000 1.072 336 L CA 0.957 55.806 54.840 0.015 0.000 0.744 336 L CB -2.019 40.054 42.059 0.023 0.000 0.895 336 L HN 0.465 nan 8.230 nan 0.000 0.433 337 P HA -0.169 nan 4.420 nan 0.000 0.221 337 P C 1.631 178.938 177.300 0.010 0.000 1.141 337 P CA 1.318 64.428 63.100 0.018 0.000 0.794 337 P CB 0.043 31.748 31.700 0.009 0.000 0.764 338 S N -1.655 114.047 115.700 0.003 0.000 2.558 338 S HA 0.003 4.471 4.470 -0.003 0.000 0.217 338 S C 1.561 176.157 174.600 -0.006 0.000 0.975 338 S CA 0.103 58.299 58.200 -0.006 0.000 0.912 338 S CB -0.640 62.554 63.200 -0.010 0.000 0.776 338 S HN -0.112 nan 8.310 nan 0.000 0.526 339 V N 1.516 121.435 119.914 0.008 0.000 2.759 339 V HA -0.099 4.019 4.120 -0.003 0.000 0.256 339 V C 2.319 178.420 176.094 0.012 0.000 1.080 339 V CA 1.814 64.122 62.300 0.013 0.000 1.101 339 V CB -0.477 31.365 31.823 0.032 0.000 0.698 339 V HN 0.589 nan 8.190 nan 0.000 0.477 340 E N 1.237 121.442 120.200 0.010 0.000 2.028 340 E HA -0.174 4.174 4.350 -0.003 0.000 0.190 340 E C 1.573 178.112 176.600 -0.102 0.000 0.984 340 E CA 1.570 57.953 56.400 -0.029 0.000 0.800 340 E CB -0.184 29.509 29.700 -0.011 0.000 0.758 340 E HN 0.645 nan 8.360 nan 0.000 0.448 341 T N 0.538 115.047 114.554 -0.075 0.000 3.928 341 T HA 0.067 4.415 4.350 -0.003 0.000 0.247 341 T C 0.830 175.495 174.700 -0.058 0.000 0.955 341 T CA 0.073 62.127 62.100 -0.076 0.000 0.935 341 T CB 0.189 69.027 68.868 -0.050 0.000 1.180 341 T HN 0.134 nan 8.240 nan 0.000 0.660 342 L N -0.081 121.105 121.223 -0.062 0.000 2.688 342 L HA 0.528 4.866 4.340 -0.003 0.000 0.216 342 L C 2.220 179.058 176.870 -0.053 0.000 1.036 342 L CA 1.152 55.964 54.840 -0.047 0.000 0.906 342 L CB -0.744 41.294 42.059 -0.034 0.000 1.501 342 L HN 0.309 nan 8.230 nan 0.000 0.489 343 G N -0.500 108.264 108.800 -0.060 0.000 2.479 343 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.220 343 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.220 343 G C 1.184 176.040 174.900 -0.074 0.000 1.115 343 G CA 1.224 46.292 45.100 -0.054 0.000 0.757 343 G HN 0.507 nan 8.290 nan 0.000 0.560 344 C N 1.321 120.560 119.300 -0.102 0.000 2.626 344 C HA 0.227 4.685 4.460 -0.003 0.000 0.266 344 C C 1.782 176.742 174.990 -0.051 0.000 1.317 344 C CA -0.202 58.761 59.018 -0.091 0.000 1.716 344 C CB -1.299 26.367 27.740 -0.123 0.000 1.819 344 C HN 0.534 nan 8.230 nan 0.000 0.578 345 T N 0.330 114.860 114.554 -0.041 0.000 2.908 345 T HA 0.114 4.462 4.350 -0.003 0.000 0.301 345 T C 0.920 175.614 174.700 -0.009 0.000 1.019 345 T CA 0.748 62.835 62.100 -0.021 0.000 1.152 345 T CB 0.783 69.639 68.868 -0.021 0.000 0.966 345 T HN 0.521 nan 8.240 nan 0.000 0.540 346 S N 1.862 117.565 115.700 0.005 0.000 2.524 346 S HA 0.349 4.817 4.470 -0.003 0.000 0.222 346 S C 0.319 174.935 174.600 0.027 0.000 1.040 346 S CA -0.409 57.799 58.200 0.014 0.000 0.915 346 S CB 0.204 63.414 63.200 0.017 0.000 0.831 346 S HN 0.674 nan 8.310 nan 0.000 0.492 347 V N 2.180 122.115 119.914 0.035 0.000 2.709 347 V HA 0.554 4.672 4.120 -0.003 0.000 0.308 347 V C -1.063 175.064 176.094 0.054 0.000 1.062 347 V CA -0.797 61.533 62.300 0.050 0.000 0.901 347 V CB 1.790 33.651 31.823 0.063 0.000 1.003 347 V HN 0.363 nan 8.190 nan 0.000 0.425 348 I N 3.107 123.723 120.570 0.077 0.000 2.448 348 I HA 0.347 4.515 4.170 -0.003 0.000 0.281 348 I C -0.637 175.553 176.117 0.123 0.000 1.027 348 I CA -0.165 61.197 61.300 0.103 0.000 1.111 348 I CB 1.559 39.653 38.000 0.156 0.000 1.236 348 I HN 0.527 nan 8.210 nan 0.000 0.452 349 C N 4.304 123.657 119.300 0.088 0.000 2.281 349 C HA 0.451 4.909 4.460 -0.003 0.000 0.336 349 C C 0.938 175.979 174.990 0.086 0.000 1.217 349 C CA -0.170 58.891 59.018 0.072 0.000 1.730 349 C CB -0.128 27.632 27.740 0.033 0.000 2.338 349 C HN 0.776 nan 8.230 nan 0.000 0.521 350 S N 2.065 117.820 115.700 0.091 0.000 2.578 350 S HA 0.412 4.879 4.470 -0.003 0.000 0.301 350 S C -0.599 174.027 174.600 0.044 0.000 1.091 350 S CA -0.511 57.753 58.200 0.105 0.000 1.032 350 S CB 0.746 64.060 63.200 0.190 0.000 1.064 350 S HN 0.744 nan 8.310 nan 0.000 0.508 351 D N 2.059 122.486 120.400 0.046 0.000 2.313 351 D HA 0.199 4.837 4.640 -0.003 0.000 0.247 351 D C 0.698 177.005 176.300 0.011 0.000 1.094 351 D CA -0.157 53.858 54.000 0.026 0.000 0.925 351 D CB 1.344 42.161 40.800 0.028 0.000 1.188 351 D HN 0.551 nan 8.370 nan 0.000 0.430 352 K N 0.400 120.801 120.400 0.001 0.000 2.035 352 K HA -0.122 4.196 4.320 -0.003 0.000 0.213 352 K C 1.900 178.497 176.600 -0.005 0.000 1.027 352 K CA 1.350 57.627 56.287 -0.018 0.000 0.950 352 K CB -0.529 31.962 32.500 -0.016 0.000 0.790 352 K HN 0.571 nan 8.250 nan 0.000 0.448 353 T N -1.082 113.475 114.554 0.004 0.000 2.515 353 T HA -0.285 4.063 4.350 -0.003 0.000 0.246 353 T C 1.962 176.672 174.700 0.016 0.000 1.268 353 T CA 2.157 64.263 62.100 0.010 0.000 1.136 353 T CB -1.797 67.080 68.868 0.015 0.000 0.847 353 T HN 0.492 nan 8.240 nan 0.000 0.442 354 G N 0.530 109.343 108.800 0.022 0.000 2.403 354 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.216 354 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.216 354 G C 1.904 176.826 174.900 0.036 0.000 1.154 354 G CA 1.682 46.799 45.100 0.028 0.000 0.784 354 G HN 0.860 nan 8.290 nan 0.000 0.538 355 T N -1.168 113.413 114.554 0.044 0.000 2.983 355 T HA 0.187 4.535 4.350 -0.003 0.000 0.250 355 T C 2.406 177.151 174.700 0.074 0.000 1.037 355 T CA 0.477 62.623 62.100 0.077 0.000 1.142 355 T CB -0.207 68.727 68.868 0.110 0.000 0.876 355 T HN 0.120 nan 8.240 nan 0.000 0.455 356 L N 1.656 122.884 121.223 0.008 0.000 2.162 356 L HA 0.216 4.554 4.340 -0.003 0.000 0.205 356 L C 1.831 178.678 176.870 -0.038 0.000 1.086 356 L CA 0.998 55.799 54.840 -0.065 0.000 0.778 356 L CB -0.328 41.641 42.059 -0.150 0.000 0.928 356 L HN 0.535 nan 8.230 nan 0.000 0.446 357 T N -5.876 108.666 114.554 -0.019 0.000 2.870 357 T HA 0.202 4.550 4.350 -0.003 0.000 0.277 357 T C 0.806 175.506 174.700 0.001 0.000 1.000 357 T CA -0.365 61.727 62.100 -0.013 0.000 0.982 357 T CB 1.658 70.518 68.868 -0.013 0.000 1.249 357 T HN -0.174 nan 8.240 nan 0.000 0.589 358 T N 0.838 115.389 114.554 -0.004 0.000 3.035 358 T HA 0.109 4.457 4.350 -0.003 0.000 0.259 358 T C 0.999 175.704 174.700 0.009 0.000 1.078 358 T CA 0.908 63.006 62.100 -0.003 0.000 1.132 358 T CB -0.684 68.171 68.868 -0.022 0.000 0.900 358 T HN 0.880 nan 8.240 nan 0.000 0.480 359 N N 1.287 119.995 118.700 0.014 0.000 2.776 359 N HA -0.191 4.547 4.740 -0.003 0.000 0.250 359 N C -0.091 175.455 175.510 0.060 0.000 1.112 359 N CA 0.557 53.629 53.050 0.037 0.000 0.733 359 N CB -1.487 37.025 38.487 0.041 0.000 1.097 359 N HN 0.570 nan 8.380 nan 0.000 0.558 360 Q N 0.589 120.395 119.800 0.009 0.000 2.788 360 Q HA 0.241 4.579 4.340 -0.003 0.000 0.261 360 Q C -0.101 175.833 176.000 -0.110 0.000 1.029 360 Q CA -0.754 55.007 55.803 -0.070 0.000 0.848 360 Q CB 0.227 28.858 28.738 -0.178 0.000 1.185 360 Q HN 0.201 nan 8.270 nan 0.000 0.482 361 M N 1.277 120.919 119.600 0.071 0.000 2.243 361 M HA 0.104 4.582 4.480 -0.003 0.000 0.309 361 M C 0.150 176.491 176.300 0.068 0.000 1.050 361 M CA 0.805 56.160 55.300 0.092 0.000 1.139 361 M CB 0.359 33.057 32.600 0.164 0.000 1.457 361 M HN 0.641 nan 8.290 nan 0.000 0.440 362 S N -0.230 115.496 115.700 0.045 0.000 2.583 362 S HA 0.444 4.912 4.470 -0.003 0.000 0.294 362 S C -1.140 173.466 174.600 0.010 0.000 1.121 362 S CA -1.210 57.007 58.200 0.028 0.000 0.910 362 S CB 0.478 63.654 63.200 -0.040 0.000 1.102 362 S HN 0.374 nan 8.310 nan 0.000 0.451 363 V N 2.687 122.609 119.914 0.013 0.000 2.508 363 V HA 0.187 4.305 4.120 -0.003 0.000 0.281 363 V C 0.968 177.043 176.094 -0.031 0.000 1.041 363 V CA -0.236 62.063 62.300 -0.002 0.000 1.016 363 V CB 0.380 32.204 31.823 0.002 0.000 0.984 363 V HN 1.185 nan 8.190 nan 0.000 0.478 364 C N 3.618 122.879 119.300 -0.065 0.000 2.689 364 C HA 0.282 4.740 4.460 -0.003 0.000 0.336 364 C C 1.030 175.933 174.990 -0.145 0.000 1.304 364 C CA -0.078 58.875 59.018 -0.107 0.000 1.860 364 C CB -0.305 27.346 27.740 -0.147 0.000 2.405 364 C HN 0.815 nan 8.230 nan 0.000 0.557 365 K N 0.035 120.316 120.400 -0.199 0.000 2.435 365 K HA 0.737 5.055 4.320 -0.003 0.000 0.251 365 K C -1.046 175.643 176.600 0.148 0.000 0.954 365 K CA -0.148 56.003 56.287 -0.227 0.000 0.820 365 K CB 2.118 33.968 32.500 -1.083 0.000 1.292 365 K HN 0.124 nan 8.250 nan 0.000 0.436 366 M N 1.668 121.507 119.600 0.397 0.000 2.667 366 M HA 0.597 5.075 4.480 -0.003 0.000 0.286 366 M C -1.646 175.067 176.300 0.687 0.000 1.270 366 M CA -1.013 54.529 55.300 0.404 0.000 0.826 366 M CB 2.278 34.917 32.600 0.065 0.000 1.743 366 M HN 0.680 nan 8.290 nan 0.000 0.460 367 F N 1.697 121.809 119.950 0.271 0.000 2.660 367 F HA 0.708 5.233 4.527 -0.003 0.000 0.320 367 F C -2.295 173.576 175.800 0.117 0.000 1.099 367 F CA -1.333 56.811 58.000 0.240 0.000 1.061 367 F CB 0.617 39.720 39.000 0.171 0.000 1.300 367 F HN 0.524 nan 8.300 nan 0.000 0.479 368 I N 2.334 123.140 120.570 0.393 0.000 2.934 368 I HA 0.680 4.848 4.170 -0.003 0.000 0.306 368 I C -0.904 175.435 176.117 0.370 0.000 1.110 368 I CA -1.372 60.050 61.300 0.204 0.000 1.019 368 I CB 2.189 40.203 38.000 0.023 0.000 1.227 368 I HN 0.502 nan 8.210 nan 0.000 0.434 369 I N 2.512 123.274 120.570 0.320 0.000 2.529 369 I HA 0.130 4.298 4.170 -0.003 0.000 0.284 369 I C 0.489 176.737 176.117 0.218 0.000 1.082 369 I CA 0.380 61.856 61.300 0.292 0.000 1.406 369 I CB 0.573 38.745 38.000 0.286 0.000 1.405 369 I HN 0.858 nan 8.210 nan 0.000 0.548 370 D N 3.825 124.341 120.400 0.194 0.000 2.463 370 D HA 0.080 4.718 4.640 -0.003 0.000 0.237 370 D C 0.423 176.802 176.300 0.132 0.000 1.013 370 D CA 0.550 54.654 54.000 0.174 0.000 0.910 370 D CB 0.849 41.754 40.800 0.175 0.000 1.080 370 D HN 0.569 nan 8.370 nan 0.000 0.498 371 K N -0.209 120.263 120.400 0.120 0.000 2.542 371 K HA 0.484 4.802 4.320 -0.003 0.000 0.259 371 K C -2.021 174.646 176.600 0.112 0.000 0.932 371 K CA -0.801 55.548 56.287 0.103 0.000 0.820 371 K CB 2.321 34.870 32.500 0.082 0.000 1.345 371 K HN -0.174 nan 8.250 nan 0.000 0.432 372 V N 3.211 123.191 119.914 0.110 0.000 2.465 372 V HA 0.190 4.308 4.120 -0.003 0.000 0.263 372 V C -1.206 174.956 176.094 0.112 0.000 0.981 372 V CA -0.725 61.642 62.300 0.111 0.000 0.838 372 V CB 1.004 32.888 31.823 0.103 0.000 1.068 372 V HN 0.741 nan 8.190 nan 0.000 0.458 373 D N 2.939 123.430 120.400 0.151 0.000 2.485 373 D HA 0.547 5.185 4.640 -0.003 0.000 0.229 373 D C 1.028 177.413 176.300 0.141 0.000 1.101 373 D CA 1.445 55.543 54.000 0.162 0.000 0.906 373 D CB 1.239 42.168 40.800 0.214 0.000 1.019 373 D HN 0.635 nan 8.370 nan 0.000 0.516 374 G N 4.780 113.616 108.800 0.059 0.000 2.574 374 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.301 374 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.301 374 G C 0.743 175.601 174.900 -0.071 0.000 1.166 374 G CA 0.436 45.526 45.100 -0.017 0.000 0.971 374 G HN 0.527 nan 8.290 nan 0.000 0.542 375 D N 0.836 121.103 120.400 -0.221 0.000 2.339 375 D HA 0.276 4.914 4.640 -0.003 0.000 0.217 375 D C 0.588 176.747 176.300 -0.234 0.000 1.050 375 D CA 0.244 54.090 54.000 -0.256 0.000 0.856 375 D CB 0.047 40.640 40.800 -0.346 0.000 0.922 375 D HN 0.140 nan 8.370 nan 0.000 0.518 376 F N 0.734 120.687 119.950 0.005 0.000 2.375 376 F HA 0.323 4.848 4.527 -0.003 0.000 0.333 376 F C 0.668 176.473 175.800 0.010 0.000 1.104 376 F CA -1.195 56.808 58.000 0.005 0.000 1.149 376 F CB 1.199 40.204 39.000 0.008 0.000 1.190 376 F HN -0.187 nan 8.300 nan 0.000 0.533 377 C N 2.467 121.896 119.300 0.216 0.000 3.006 377 C HA 0.748 5.206 4.460 -0.003 0.000 0.359 377 C C -1.091 173.951 174.990 0.087 0.000 1.103 377 C CA -0.501 58.590 59.018 0.122 0.000 1.286 377 C CB 0.614 28.396 27.740 0.071 0.000 1.694 377 C HN 0.984 nan 8.230 nan 0.000 0.511 378 S N 5.841 121.588 115.700 0.079 0.000 2.594 378 S HA 0.821 5.289 4.470 -0.003 0.000 0.296 378 S C -1.064 173.581 174.600 0.074 0.000 1.124 378 S CA -0.585 57.648 58.200 0.056 0.000 1.011 378 S CB 1.148 64.380 63.200 0.053 0.000 1.016 378 S HN 0.740 nan 8.310 nan 0.000 0.485 379 L N 2.514 123.758 121.223 0.035 0.000 2.472 379 L HA 0.613 4.951 4.340 -0.003 0.000 0.256 379 L C 0.383 177.326 176.870 0.122 0.000 1.111 379 L CA -0.336 54.547 54.840 0.073 0.000 0.800 379 L CB 0.386 42.361 42.059 -0.140 0.000 1.286 379 L HN 0.747 nan 8.230 nan 0.000 0.479 380 N N 0.580 119.422 118.700 0.236 0.000 2.716 380 N HA 0.204 4.942 4.740 -0.003 0.000 0.253 380 N C -1.265 174.464 175.510 0.365 0.000 1.170 380 N CA -0.341 52.851 53.050 0.236 0.000 0.807 380 N CB 0.836 39.546 38.487 0.373 0.000 1.183 380 N HN 0.556 nan 8.380 nan 0.000 0.524 381 E N 1.153 121.456 120.200 0.172 0.000 2.289 381 E HA 0.299 4.646 4.350 -0.003 0.000 0.278 381 E C -0.433 176.215 176.600 0.081 0.000 1.032 381 E CA -0.004 56.593 56.400 0.329 0.000 0.854 381 E CB 1.039 30.902 29.700 0.272 0.000 1.046 381 E HN 0.223 nan 8.360 nan 0.000 0.409 382 F N 0.394 120.422 119.950 0.132 0.000 2.613 382 F HA 0.461 4.986 4.527 -0.003 0.000 0.342 382 F C 0.442 176.244 175.800 0.002 0.000 1.066 382 F CA -0.974 57.035 58.000 0.015 0.000 1.002 382 F CB 1.827 40.795 39.000 -0.053 0.000 1.319 382 F HN 0.269 nan 8.300 nan 0.000 0.495 383 S N 0.651 116.437 115.700 0.143 0.000 2.536 383 S HA 0.857 5.325 4.470 -0.003 0.000 0.287 383 S C -1.358 173.269 174.600 0.045 0.000 1.101 383 S CA -0.340 57.877 58.200 0.030 0.000 0.950 383 S CB 0.857 64.044 63.200 -0.022 0.000 1.056 383 S HN 0.366 nan 8.310 nan 0.000 0.481 384 I N 2.484 123.055 120.570 0.002 0.000 2.846 384 I HA 0.614 4.782 4.170 -0.003 0.000 0.307 384 I C 0.265 176.370 176.117 -0.019 0.000 1.053 384 I CA -0.321 60.979 61.300 0.000 0.000 1.050 384 I CB 2.410 40.404 38.000 -0.009 0.000 1.239 384 I HN 0.824 nan 8.210 nan 0.000 0.439 385 T N -0.139 114.406 114.554 -0.016 0.000 2.907 385 T HA 0.913 5.261 4.350 -0.003 0.000 0.292 385 T C -0.256 174.431 174.700 -0.021 0.000 1.043 385 T CA -0.570 61.518 62.100 -0.021 0.000 1.003 385 T CB 1.683 70.542 68.868 -0.015 0.000 1.084 385 T HN 1.511 nan 8.240 nan 0.000 0.483 386 G N 0.491 109.276 108.800 -0.025 0.000 3.014 386 G HA2 0.260 4.218 3.960 -0.003 0.000 0.683 386 G HA3 0.260 4.218 3.960 -0.003 0.000 0.683 386 G C 0.149 175.024 174.900 -0.040 0.000 1.271 386 G CA 0.088 45.173 45.100 -0.025 0.000 0.843 386 G HN 1.647 nan 8.290 nan 0.000 0.612 387 S N -0.078 115.590 115.700 -0.052 0.000 2.506 387 S HA 0.333 4.801 4.470 -0.003 0.000 0.219 387 S C 1.242 175.753 174.600 -0.148 0.000 1.031 387 S CA 1.370 59.519 58.200 -0.085 0.000 0.911 387 S CB 0.370 63.526 63.200 -0.075 0.000 0.812 387 S HN 0.994 nan 8.310 nan 0.000 0.497 388 T N 1.514 116.002 114.554 -0.110 0.000 2.729 388 T HA 0.297 4.645 4.350 -0.003 0.000 0.298 388 T C 0.099 174.717 174.700 -0.137 0.000 1.013 388 T CA -0.064 61.948 62.100 -0.147 0.000 0.957 388 T CB 0.054 68.923 68.868 0.002 0.000 1.130 388 T HN 0.196 nan 8.240 nan 0.000 0.526 389 Y N 0.105 120.435 120.300 0.050 0.000 2.466 389 Y HA 0.447 4.995 4.550 -0.003 0.000 0.272 389 Y C 1.513 177.388 175.900 -0.041 0.000 1.169 389 Y CA -1.021 57.089 58.100 0.017 0.000 1.285 389 Y CB -0.848 37.642 38.460 0.049 0.000 1.078 389 Y HN 0.590 nan 8.280 nan 0.000 0.523 390 A N 2.827 125.722 122.820 0.125 0.000 2.524 390 A HA 0.125 4.443 4.320 -0.003 0.000 0.250 390 A C -1.748 175.716 177.584 -0.201 0.000 1.078 390 A CA -0.971 51.043 52.037 -0.039 0.000 0.761 390 A CB -0.245 18.905 19.000 0.251 0.000 1.012 390 A HN 0.099 nan 8.150 nan 0.000 0.500 391 P HA 0.099 nan 4.420 nan 0.000 0.238 391 P C -0.760 176.456 177.300 -0.140 0.000 1.714 391 P CA 0.541 63.482 63.100 -0.265 0.000 0.908 391 P CB -0.405 31.093 31.700 -0.337 0.000 1.893 392 E N 0.448 120.604 120.200 -0.073 0.000 2.255 392 E HA 0.659 5.007 4.350 -0.003 0.000 0.256 392 E C 0.074 176.665 176.600 -0.016 0.000 0.887 392 E CA -0.700 55.686 56.400 -0.024 0.000 0.782 392 E CB 1.890 31.602 29.700 0.020 0.000 1.214 392 E HN 0.260 nan 8.360 nan 0.000 0.417 393 G N 2.080 110.870 108.800 -0.017 0.000 2.325 393 G HA2 0.241 4.199 3.960 -0.003 0.000 0.297 393 G HA3 0.241 4.199 3.960 -0.003 0.000 0.297 393 G C -1.735 173.160 174.900 -0.009 0.000 1.448 393 G CA -0.798 44.294 45.100 -0.012 0.000 0.838 393 G HN 0.404 nan 8.290 nan 0.000 0.579 394 E N -0.983 119.217 120.200 -0.001 0.000 2.336 394 E HA 0.679 5.027 4.350 -0.003 0.000 0.267 394 E C -1.011 175.600 176.600 0.019 0.000 0.906 394 E CA -0.832 55.573 56.400 0.009 0.000 0.781 394 E CB 2.529 32.237 29.700 0.014 0.000 1.261 394 E HN 0.377 nan 8.360 nan 0.000 0.436 395 V N 4.118 124.055 119.914 0.039 0.000 2.370 395 V HA 0.331 4.449 4.120 -0.003 0.000 0.279 395 V C -0.373 175.782 176.094 0.102 0.000 1.029 395 V CA -0.558 61.789 62.300 0.078 0.000 0.870 395 V CB 0.752 32.626 31.823 0.085 0.000 0.984 395 V HN 0.504 nan 8.190 nan 0.000 0.451 396 L N 4.851 126.122 121.223 0.080 0.000 2.325 396 L HA 0.530 4.868 4.340 -0.003 0.000 0.281 396 L C 0.987 177.836 176.870 -0.035 0.000 1.004 396 L CA -0.462 54.395 54.840 0.030 0.000 0.823 396 L CB 1.532 43.593 42.059 0.003 0.000 1.236 396 L HN 0.578 nan 8.230 nan 0.000 0.415 397 K N 2.166 122.483 120.400 -0.139 0.000 1.975 397 K HA -0.025 4.292 4.320 -0.003 0.000 0.217 397 K C 0.827 177.275 176.600 -0.253 0.000 1.037 397 K CA 0.968 56.993 56.287 -0.436 0.000 0.971 397 K CB 0.137 32.325 32.500 -0.518 0.000 0.749 397 K HN 0.514 nan 8.250 nan 0.000 0.444 398 N N 1.266 119.869 118.700 -0.163 0.000 3.271 398 N HA 0.040 4.778 4.740 -0.003 0.000 0.303 398 N C -1.067 174.407 175.510 -0.060 0.000 1.415 398 N CA 0.354 53.344 53.050 -0.100 0.000 1.159 398 N CB 0.239 38.679 38.487 -0.078 0.000 1.432 398 N HN 0.315 nan 8.380 nan 0.000 0.521 399 D N -0.665 119.702 120.400 -0.055 0.000 2.229 399 D HA -0.203 4.435 4.640 -0.003 0.000 0.162 399 D C -0.416 175.870 176.300 -0.023 0.000 1.436 399 D CA 1.356 55.335 54.000 -0.034 0.000 1.324 399 D CB -0.415 40.368 40.800 -0.028 0.000 1.258 399 D HN 0.496 nan 8.370 nan 0.000 0.477 400 K N 1.247 121.633 120.400 -0.024 0.000 2.234 400 K HA 0.427 4.745 4.320 -0.003 0.000 0.282 400 K C -2.516 174.089 176.600 0.008 0.000 1.039 400 K CA -1.486 54.797 56.287 -0.007 0.000 0.928 400 K CB 1.133 33.630 32.500 -0.004 0.000 1.039 400 K HN -0.011 nan 8.250 nan 0.000 0.470 401 P HA -0.012 nan 4.420 nan 0.000 0.269 401 P C -0.485 176.856 177.300 0.069 0.000 1.205 401 P CA 0.512 63.636 63.100 0.039 0.000 0.780 401 P CB 0.517 32.236 31.700 0.032 0.000 0.858 402 I N 0.957 121.586 120.570 0.099 0.000 3.006 402 I HA 0.329 4.497 4.170 -0.003 0.000 0.306 402 I C -0.040 176.170 176.117 0.153 0.000 1.250 402 I CA -0.999 60.400 61.300 0.165 0.000 0.996 402 I CB 2.689 40.845 38.000 0.259 0.000 1.261 402 I HN 0.129 nan 8.210 nan 0.000 0.442 403 R N 2.197 122.805 120.500 0.180 0.000 2.239 403 R HA 0.328 4.666 4.340 -0.003 0.000 0.332 403 R C 0.684 177.097 176.300 0.190 0.000 0.988 403 R CA -0.360 55.818 56.100 0.130 0.000 0.859 403 R CB 1.452 31.805 30.300 0.089 0.000 1.148 403 R HN 0.597 nan 8.270 nan 0.000 0.482 404 S N 1.658 117.434 115.700 0.126 0.000 2.420 404 S HA -0.185 4.283 4.470 -0.003 0.000 0.237 404 S C 1.983 176.650 174.600 0.111 0.000 1.023 404 S CA 1.550 59.809 58.200 0.098 0.000 0.991 404 S CB -0.050 63.115 63.200 -0.059 0.000 0.792 404 S HN 0.909 nan 8.310 nan 0.000 0.488 405 G N 1.456 110.291 108.800 0.059 0.000 2.440 405 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 405 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 405 G C 1.169 176.100 174.900 0.052 0.000 1.154 405 G CA 0.631 45.747 45.100 0.027 0.000 0.767 405 G HN 0.536 nan 8.290 nan 0.000 0.552 406 Q N -0.652 119.178 119.800 0.051 0.000 2.522 406 Q HA -0.013 4.325 4.340 -0.003 0.000 0.216 406 Q C -0.387 175.419 176.000 -0.324 0.000 0.986 406 Q CA 0.350 56.075 55.803 -0.129 0.000 0.901 406 Q CB -0.131 28.480 28.738 -0.212 0.000 0.954 406 Q HN 0.529 nan 8.270 nan 0.000 0.502 407 F N -0.601 119.357 119.950 0.014 0.000 2.467 407 F HA 0.198 4.723 4.527 -0.003 0.000 0.336 407 F C 0.659 176.438 175.800 -0.035 0.000 1.123 407 F CA -1.004 57.005 58.000 0.016 0.000 0.964 407 F CB 1.567 40.593 39.000 0.043 0.000 1.136 407 F HN -0.189 nan 8.300 nan 0.000 0.447 408 D N 2.172 122.643 120.400 0.118 0.000 2.194 408 D HA -0.039 4.599 4.640 -0.003 0.000 0.204 408 D C 2.242 178.553 176.300 0.018 0.000 0.964 408 D CA 1.035 55.062 54.000 0.045 0.000 0.846 408 D CB -0.134 40.683 40.800 0.029 0.000 0.962 408 D HN 0.821 nan 8.370 nan 0.000 0.490 409 G N 1.173 110.007 108.800 0.056 0.000 2.440 409 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.218 409 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.218 409 G C 1.643 176.480 174.900 -0.104 0.000 1.154 409 G CA 0.194 45.286 45.100 -0.014 0.000 0.767 409 G HN 0.255 nan 8.290 nan 0.000 0.552 410 L N 0.712 121.876 121.223 -0.098 0.000 2.551 410 L HA 0.014 4.352 4.340 -0.003 0.000 0.228 410 L C 2.609 179.349 176.870 -0.217 0.000 1.153 410 L CA -0.038 54.667 54.840 -0.226 0.000 0.851 410 L CB -0.043 41.831 42.059 -0.308 0.000 0.959 410 L HN 0.118 nan 8.230 nan 0.000 0.451 411 V N -0.640 119.172 119.914 -0.170 0.000 2.535 411 V HA -0.149 3.969 4.120 -0.003 0.000 0.246 411 V C 2.188 178.133 176.094 -0.248 0.000 1.045 411 V CA 1.271 63.430 62.300 -0.234 0.000 1.058 411 V CB -0.242 31.488 31.823 -0.154 0.000 0.689 411 V HN 0.426 nan 8.190 nan 0.000 0.461 412 E N 0.330 120.405 120.200 -0.209 0.000 2.028 412 E HA -0.149 4.199 4.350 -0.003 0.000 0.190 412 E C 2.219 178.633 176.600 -0.310 0.000 0.984 412 E CA 1.121 57.368 56.400 -0.255 0.000 0.800 412 E CB -0.224 29.352 29.700 -0.206 0.000 0.758 412 E HN 0.448 nan 8.360 nan 0.000 0.448 413 L N 0.924 121.979 121.223 -0.280 0.000 2.137 413 L HA -0.243 4.095 4.340 -0.003 0.000 0.213 413 L C 2.241 178.948 176.870 -0.271 0.000 1.085 413 L CA 1.445 56.114 54.840 -0.286 0.000 0.760 413 L CB -0.144 41.742 42.059 -0.288 0.000 0.893 413 L HN 0.098 nan 8.230 nan 0.000 0.434 414 A N -1.338 121.316 122.820 -0.277 0.000 2.067 414 A HA -0.117 4.201 4.320 -0.003 0.000 0.217 414 A C 2.283 179.716 177.584 -0.252 0.000 1.156 414 A CA 1.442 53.325 52.037 -0.257 0.000 0.683 414 A CB -0.689 18.141 19.000 -0.284 0.000 0.808 414 A HN 0.617 nan 8.150 nan 0.000 0.455 415 T N -2.025 112.343 114.554 -0.310 0.000 2.901 415 T HA 0.048 4.396 4.350 -0.003 0.000 0.252 415 T C 1.824 176.286 174.700 -0.397 0.000 1.035 415 T CA 1.013 62.916 62.100 -0.328 0.000 1.142 415 T CB -0.594 68.029 68.868 -0.408 0.000 0.869 415 T HN 0.268 nan 8.240 nan 0.000 0.442 416 I N 1.266 121.523 120.570 -0.521 0.000 2.315 416 I HA -0.208 3.960 4.170 -0.003 0.000 0.251 416 I C 2.626 178.631 176.117 -0.187 0.000 1.125 416 I CA 0.949 62.008 61.300 -0.401 0.000 1.392 416 I CB -0.588 37.218 38.000 -0.324 0.000 1.065 416 I HN 0.415 nan 8.210 nan 0.000 0.424 417 C N 0.364 119.554 119.300 -0.182 0.000 2.475 417 C HA 0.066 4.524 4.460 -0.003 0.000 0.279 417 C C 2.973 177.911 174.990 -0.086 0.000 1.322 417 C CA 0.850 59.798 59.018 -0.117 0.000 1.734 417 C CB -0.891 26.775 27.740 -0.124 0.000 2.005 417 C HN 0.598 nan 8.230 nan 0.000 0.495 418 A N -0.428 122.333 122.820 -0.098 0.000 2.147 418 A HA 0.248 4.566 4.320 -0.003 0.000 0.211 418 A C 1.951 179.520 177.584 -0.026 0.000 1.160 418 A CA 0.738 52.740 52.037 -0.058 0.000 0.781 418 A CB -0.214 18.751 19.000 -0.057 0.000 0.842 418 A HN 0.564 nan 8.150 nan 0.000 0.475 419 L N -1.598 119.611 121.223 -0.023 0.000 2.200 419 L HA 0.066 4.404 4.340 -0.003 0.000 0.200 419 L C 1.273 178.183 176.870 0.066 0.000 1.072 419 L CA 0.270 55.140 54.840 0.050 0.000 0.787 419 L CB -0.309 41.838 42.059 0.145 0.000 0.957 419 L HN 0.366 nan 8.230 nan 0.000 0.459 420 C N 3.051 122.388 119.300 0.061 0.000 2.400 420 C HA 0.364 4.822 4.460 -0.003 0.000 0.457 420 C C 0.092 175.102 174.990 0.033 0.000 1.020 420 C CA -0.273 58.784 59.018 0.065 0.000 1.258 420 C CB -2.221 25.568 27.740 0.081 0.000 1.532 420 C HN 0.454 nan 8.230 nan 0.000 0.537 421 N N 2.874 121.592 118.700 0.029 0.000 3.343 421 N HA 0.055 4.793 4.740 -0.003 0.000 0.225 421 N C -0.507 175.011 175.510 0.013 0.000 1.096 421 N CA -0.146 52.911 53.050 0.012 0.000 1.040 421 N CB 0.979 39.461 38.487 -0.009 0.000 1.611 421 N HN 0.480 nan 8.380 nan 0.000 0.689 422 D N 0.264 120.673 120.400 0.015 0.000 2.340 422 D HA 0.027 4.665 4.640 -0.003 0.000 0.220 422 D C 0.529 176.829 176.300 -0.000 0.000 1.039 422 D CA 0.587 54.596 54.000 0.016 0.000 0.866 422 D CB 0.535 41.351 40.800 0.028 0.000 0.913 422 D HN 0.356 nan 8.370 nan 0.000 0.523 423 S N -0.236 115.453 115.700 -0.018 0.000 2.638 423 S HA 0.591 5.059 4.470 -0.003 0.000 0.298 423 S C -0.000 174.573 174.600 -0.044 0.000 1.111 423 S CA -0.441 57.736 58.200 -0.037 0.000 1.027 423 S CB 1.303 64.465 63.200 -0.064 0.000 1.064 423 S HN 0.174 nan 8.310 nan 0.000 0.525 424 S N 2.733 118.402 115.700 -0.051 0.000 2.840 424 S HA 0.715 5.183 4.470 -0.003 0.000 0.307 424 S C -1.110 173.456 174.600 -0.056 0.000 1.180 424 S CA -0.931 57.242 58.200 -0.045 0.000 0.846 424 S CB 0.340 63.531 63.200 -0.015 0.000 1.233 424 S HN 0.638 nan 8.310 nan 0.000 0.548 425 L N 0.437 121.646 121.223 -0.024 0.000 2.335 425 L HA 0.803 5.140 4.340 -0.003 0.000 0.268 425 L C -1.156 175.760 176.870 0.077 0.000 1.016 425 L CA -0.622 54.225 54.840 0.012 0.000 0.805 425 L CB 1.600 43.668 42.059 0.015 0.000 1.311 425 L HN 0.948 nan 8.230 nan 0.000 0.456 426 D N -0.200 120.293 120.400 0.155 0.000 2.795 426 D HA 0.254 4.892 4.640 -0.003 0.000 0.206 426 D C -1.729 174.739 176.300 0.279 0.000 1.278 426 D CA -0.389 53.720 54.000 0.182 0.000 0.839 426 D CB 1.269 42.124 40.800 0.091 0.000 1.700 426 D HN 0.214 nan 8.370 nan 0.000 0.549 427 F N 4.041 124.078 119.950 0.145 0.000 2.415 427 F HA 0.525 5.050 4.527 -0.003 0.000 0.348 427 F C -0.298 175.493 175.800 -0.015 0.000 1.119 427 F CA -0.545 57.482 58.000 0.044 0.000 1.069 427 F CB 0.732 39.743 39.000 0.019 0.000 1.124 427 F HN 0.446 nan 8.300 nan 0.000 0.472 428 N N 2.676 120.896 118.700 -0.801 0.000 2.432 428 N HA 0.383 5.121 4.740 -0.003 0.000 0.292 428 N C -0.311 174.685 175.510 -0.858 0.000 1.193 428 N CA -0.697 51.998 53.050 -0.590 0.000 0.878 428 N CB 1.817 40.119 38.487 -0.308 0.000 1.252 428 N HN 0.504 nan 8.380 nan 0.000 0.520 429 E N -0.314 119.630 120.200 -0.426 0.000 2.216 429 E HA 0.007 4.355 4.350 -0.003 0.000 0.192 429 E C 1.275 177.751 176.600 -0.206 0.000 0.973 429 E CA 0.766 56.993 56.400 -0.288 0.000 0.851 429 E CB -0.127 29.507 29.700 -0.111 0.000 0.804 429 E HN 0.679 nan 8.360 nan 0.000 0.477 430 T N 1.196 115.645 114.554 -0.175 0.000 2.597 430 T HA -0.205 4.143 4.350 -0.003 0.000 0.267 430 T C 1.373 176.003 174.700 -0.117 0.000 1.053 430 T CA 1.787 63.816 62.100 -0.118 0.000 1.165 430 T CB -0.123 68.686 68.868 -0.098 0.000 0.863 430 T HN 0.078 nan 8.240 nan 0.000 0.427 431 K N -0.215 120.092 120.400 -0.155 0.000 2.374 431 K HA 0.356 4.674 4.320 -0.003 0.000 0.202 431 K C 1.070 177.579 176.600 -0.152 0.000 1.040 431 K CA 0.237 56.451 56.287 -0.122 0.000 1.085 431 K CB 0.929 33.375 32.500 -0.090 0.000 0.873 431 K HN 0.360 nan 8.250 nan 0.000 0.539 432 G N 2.042 110.678 108.800 -0.273 0.000 2.356 432 G HA2 -0.241 3.716 3.960 -0.003 0.000 0.296 432 G HA3 -0.241 3.716 3.960 -0.003 0.000 0.296 432 G C -0.080 174.712 174.900 -0.179 0.000 1.022 432 G CA 0.375 45.303 45.100 -0.287 0.000 0.961 432 G HN 0.131 nan 8.290 nan 0.000 0.510 433 V N -0.790 118.954 119.914 -0.283 0.000 3.001 433 V HA 0.605 4.723 4.120 -0.003 0.000 0.314 433 V C -0.275 175.779 176.094 -0.068 0.000 1.099 433 V CA -1.486 60.759 62.300 -0.092 0.000 0.989 433 V CB 1.866 33.682 31.823 -0.011 0.000 1.040 433 V HN 0.179 nan 8.190 nan 0.000 0.434 434 Y N 1.587 122.028 120.300 0.234 0.000 2.404 434 Y HA 0.364 4.912 4.550 -0.003 0.000 0.344 434 Y C 0.706 176.716 175.900 0.182 0.000 0.995 434 Y CA -0.278 57.974 58.100 0.253 0.000 1.201 434 Y CB 0.459 39.066 38.460 0.246 0.000 1.151 434 Y HN 0.546 nan 8.280 nan 0.000 0.517 435 E N 3.588 123.948 120.200 0.268 0.000 2.113 435 E HA 0.144 4.492 4.350 -0.003 0.000 0.273 435 E C -0.503 176.154 176.600 0.095 0.000 0.924 435 E CA -1.010 55.493 56.400 0.173 0.000 0.764 435 E CB 1.221 30.968 29.700 0.079 0.000 1.104 435 E HN 0.430 nan 8.360 nan 0.000 0.406 436 K N 2.996 123.418 120.400 0.037 0.000 2.473 436 K HA -0.057 4.261 4.320 -0.003 0.000 0.277 436 K C 0.207 176.746 176.600 -0.102 0.000 1.052 436 K CA -0.057 56.090 56.287 -0.234 0.000 1.114 436 K CB 0.503 32.745 32.500 -0.430 0.000 0.869 436 K HN 0.307 nan 8.250 nan 0.000 0.481 437 V N 4.605 124.457 119.914 -0.103 0.000 2.423 437 V HA 0.014 4.132 4.120 -0.003 0.000 0.233 437 V C 1.819 177.879 176.094 -0.056 0.000 1.067 437 V CA 1.484 63.754 62.300 -0.050 0.000 1.073 437 V CB -0.837 30.970 31.823 -0.027 0.000 0.715 437 V HN 1.037 nan 8.190 nan 0.000 0.485 438 G N -0.610 108.149 108.800 -0.069 0.000 2.820 438 G HA2 0.031 3.989 3.960 -0.003 0.000 0.158 438 G HA3 0.031 3.989 3.960 -0.003 0.000 0.158 438 G C 0.147 175.005 174.900 -0.069 0.000 1.715 438 G CA -0.070 44.997 45.100 -0.055 0.000 1.057 438 G HN 0.447 nan 8.290 nan 0.000 0.525 439 E N -0.665 119.496 120.200 -0.065 0.000 2.371 439 E HA 0.425 4.773 4.350 -0.003 0.000 0.257 439 E C 1.500 178.048 176.600 -0.087 0.000 1.134 439 E CA -0.004 56.359 56.400 -0.061 0.000 0.919 439 E CB 1.299 30.966 29.700 -0.054 0.000 1.025 439 E HN 0.304 nan 8.360 nan 0.000 0.438 440 A N 1.744 124.539 122.820 -0.042 0.000 1.898 440 A HA -0.150 4.168 4.320 -0.003 0.000 0.216 440 A C 2.047 179.648 177.584 0.029 0.000 1.181 440 A CA 2.038 54.081 52.037 0.010 0.000 0.620 440 A CB -0.772 18.280 19.000 0.087 0.000 0.819 440 A HN 0.745 nan 8.150 nan 0.000 0.442 441 T N -3.228 111.328 114.554 0.004 0.000 3.100 441 T HA 0.154 4.502 4.350 -0.003 0.000 0.253 441 T C 1.316 176.008 174.700 -0.013 0.000 1.118 441 T CA 1.019 63.126 62.100 0.012 0.000 1.058 441 T CB 0.043 68.909 68.868 -0.002 0.000 0.953 441 T HN 0.556 nan 8.240 nan 0.000 0.515 442 E N 0.542 120.716 120.200 -0.044 0.000 2.099 442 E HA 0.005 4.353 4.350 -0.003 0.000 0.191 442 E C 2.166 178.720 176.600 -0.077 0.000 0.962 442 E CA 0.776 57.146 56.400 -0.050 0.000 0.826 442 E CB -0.174 29.497 29.700 -0.049 0.000 0.788 442 E HN 0.400 nan 8.360 nan 0.000 0.461 443 T N 0.471 114.941 114.554 -0.140 0.000 2.881 443 T HA -0.111 4.237 4.350 -0.003 0.000 0.270 443 T C 1.780 176.373 174.700 -0.179 0.000 1.068 443 T CA 1.211 63.171 62.100 -0.233 0.000 1.131 443 T CB -0.111 68.484 68.868 -0.455 0.000 0.871 443 T HN 0.194 nan 8.240 nan 0.000 0.479 444 A N 0.348 123.133 122.820 -0.058 0.000 2.066 444 A HA 0.201 4.519 4.320 -0.003 0.000 0.218 444 A C 2.234 179.837 177.584 0.031 0.000 1.157 444 A CA 0.808 52.903 52.037 0.097 0.000 0.670 444 A CB -0.442 18.654 19.000 0.161 0.000 0.804 444 A HN 0.583 nan 8.150 nan 0.000 0.453 445 L N -0.496 120.719 121.223 -0.013 0.000 2.162 445 L HA -0.089 4.249 4.340 -0.003 0.000 0.205 445 L C 3.016 179.858 176.870 -0.047 0.000 1.086 445 L CA 1.632 56.454 54.840 -0.030 0.000 0.778 445 L CB -0.695 41.344 42.059 -0.035 0.000 0.928 445 L HN 0.628 nan 8.230 nan 0.000 0.446 446 T N -4.207 110.315 114.554 -0.053 0.000 2.821 446 T HA -0.163 4.185 4.350 -0.003 0.000 0.267 446 T C 1.790 176.456 174.700 -0.058 0.000 1.046 446 T CA 1.730 63.795 62.100 -0.058 0.000 1.139 446 T CB -0.517 68.315 68.868 -0.060 0.000 0.871 446 T HN 0.125 nan 8.240 nan 0.000 0.454 447 T N 2.030 116.558 114.554 -0.043 0.000 2.867 447 T HA 0.060 4.408 4.350 -0.003 0.000 0.268 447 T C 1.728 176.405 174.700 -0.039 0.000 1.057 447 T CA 1.141 63.222 62.100 -0.031 0.000 1.136 447 T CB -0.487 68.412 68.868 0.051 0.000 0.874 447 T HN 0.266 nan 8.240 nan 0.000 0.466 448 L N 1.322 122.524 121.223 -0.035 0.000 2.046 448 L HA -0.009 4.329 4.340 -0.003 0.000 0.208 448 L C 2.405 179.229 176.870 -0.076 0.000 1.077 448 L CA 1.487 56.297 54.840 -0.050 0.000 0.747 448 L CB -0.897 41.131 42.059 -0.052 0.000 0.896 448 L HN 0.054 nan 8.230 nan 0.000 0.432 449 V N 0.134 119.998 119.914 -0.084 0.000 2.252 449 V HA -0.289 3.829 4.120 -0.003 0.000 0.249 449 V C 2.662 178.702 176.094 -0.090 0.000 1.056 449 V CA 2.032 64.272 62.300 -0.101 0.000 1.022 449 V CB -0.703 31.064 31.823 -0.093 0.000 0.641 449 V HN 0.492 nan 8.190 nan 0.000 0.445 450 E N 0.109 120.262 120.200 -0.079 0.000 2.209 450 E HA -0.207 4.141 4.350 -0.003 0.000 0.196 450 E C 2.063 178.620 176.600 -0.073 0.000 0.993 450 E CA 1.006 57.359 56.400 -0.078 0.000 0.819 450 E CB -0.240 29.401 29.700 -0.099 0.000 0.745 450 E HN 0.609 nan 8.360 nan 0.000 0.477 451 K N 0.165 120.523 120.400 -0.071 0.000 2.487 451 K HA 0.094 4.412 4.320 -0.003 0.000 0.192 451 K C 1.523 178.091 176.600 -0.054 0.000 1.027 451 K CA 0.341 56.594 56.287 -0.057 0.000 1.054 451 K CB 0.109 32.580 32.500 -0.048 0.000 0.824 451 K HN 0.191 nan 8.250 nan 0.000 0.510 452 M N 0.128 119.683 119.600 -0.074 0.000 3.181 452 M HA 0.210 4.688 4.480 -0.003 0.000 0.422 452 M C -0.759 175.478 176.300 -0.105 0.000 1.481 452 M CA -0.838 54.412 55.300 -0.084 0.000 0.783 452 M CB 0.085 32.614 32.600 -0.119 0.000 1.437 452 M HN -0.187 nan 8.290 nan 0.000 0.505 453 N N 0.974 119.625 118.700 -0.081 0.000 2.206 453 N HA -0.072 4.666 4.740 -0.003 0.000 0.283 453 N C 0.650 176.088 175.510 -0.120 0.000 1.385 453 N CA 0.303 53.302 53.050 -0.086 0.000 1.002 453 N CB -0.130 38.344 38.487 -0.021 0.000 1.423 453 N HN 0.415 nan 8.380 nan 0.000 0.488 454 V N 0.732 120.484 119.914 -0.270 0.000 2.568 454 V HA -0.241 3.877 4.120 -0.003 0.000 0.253 454 V C 1.260 177.198 176.094 -0.259 0.000 1.072 454 V CA 1.432 63.530 62.300 -0.336 0.000 1.084 454 V CB -0.967 30.517 31.823 -0.565 0.000 0.676 454 V HN 0.480 nan 8.190 nan 0.000 0.469 455 F N 0.145 120.084 119.950 -0.019 0.000 2.797 455 F HA 0.280 4.805 4.527 -0.003 0.000 0.302 455 F C 1.426 177.220 175.800 -0.010 0.000 1.130 455 F CA -0.624 57.367 58.000 -0.016 0.000 1.387 455 F CB -0.903 38.084 39.000 -0.021 0.000 1.107 455 F HN 0.233 nan 8.300 nan 0.000 0.577 456 N N -0.043 118.730 118.700 0.121 0.000 2.708 456 N HA -0.185 4.553 4.740 -0.003 0.000 0.251 456 N C 0.193 175.749 175.510 0.077 0.000 1.123 456 N CA 1.163 54.258 53.050 0.075 0.000 0.739 456 N CB -2.102 36.424 38.487 0.065 0.000 1.113 456 N HN 0.433 nan 8.380 nan 0.000 0.561 457 T N -0.793 113.825 114.554 0.107 0.000 2.905 457 T HA 0.041 4.389 4.350 -0.003 0.000 0.299 457 T C 0.523 175.248 174.700 0.042 0.000 1.024 457 T CA -0.203 61.942 62.100 0.075 0.000 1.151 457 T CB 1.215 70.138 68.868 0.092 0.000 0.987 457 T HN -0.014 nan 8.240 nan 0.000 0.535 458 E N 1.635 121.851 120.200 0.028 0.000 2.452 458 E HA 0.117 4.465 4.350 -0.003 0.000 0.261 458 E C 0.463 177.070 176.600 0.013 0.000 0.987 458 E CA -0.018 56.392 56.400 0.017 0.000 0.926 458 E CB 1.384 31.091 29.700 0.012 0.000 0.934 458 E HN 0.608 nan 8.360 nan 0.000 0.452 459 V N 4.183 124.102 119.914 0.007 0.000 3.213 459 V HA -0.063 4.054 4.120 -0.003 0.000 0.260 459 V C 1.776 177.868 176.094 -0.003 0.000 1.663 459 V CA 0.521 62.822 62.300 0.002 0.000 1.026 459 V CB 0.074 31.896 31.823 -0.002 0.000 0.874 459 V HN 0.696 nan 8.190 nan 0.000 0.410 460 R N 0.869 121.368 120.500 -0.002 0.000 2.293 460 R HA -0.010 4.328 4.340 -0.003 0.000 0.219 460 R C 0.539 176.836 176.300 -0.005 0.000 1.091 460 R CA 1.560 57.657 56.100 -0.004 0.000 1.004 460 R CB -0.663 29.636 30.300 -0.001 0.000 0.865 460 R HN 0.483 nan 8.270 nan 0.000 0.469 461 N N 1.122 119.821 118.700 -0.002 0.000 2.389 461 N HA 0.190 4.928 4.740 -0.003 0.000 0.237 461 N C -0.496 175.013 175.510 -0.003 0.000 1.148 461 N CA 0.315 53.364 53.050 -0.001 0.000 0.854 461 N CB 0.416 38.903 38.487 0.001 0.000 1.115 461 N HN 0.228 nan 8.380 nan 0.000 0.492 462 L N -0.568 120.651 121.223 -0.007 0.000 2.359 462 L HA 0.381 4.719 4.340 -0.003 0.000 0.256 462 L C 0.732 177.590 176.870 -0.020 0.000 1.026 462 L CA -0.935 53.900 54.840 -0.008 0.000 0.828 462 L CB 1.790 43.846 42.059 -0.005 0.000 1.406 462 L HN -0.015 nan 8.230 nan 0.000 0.413 463 S N -0.272 115.416 115.700 -0.020 0.000 2.632 463 S HA 0.209 4.677 4.470 -0.003 0.000 0.254 463 S C 0.592 175.132 174.600 -0.101 0.000 1.291 463 S CA -0.305 57.870 58.200 -0.042 0.000 0.974 463 S CB 0.786 63.980 63.200 -0.010 0.000 1.016 463 S HN 0.663 nan 8.310 nan 0.000 0.579 464 K N -0.245 120.018 120.400 -0.228 0.000 2.242 464 K HA 0.075 4.393 4.320 -0.003 0.000 0.200 464 K C 2.102 178.425 176.600 -0.460 0.000 1.050 464 K CA 0.935 56.901 56.287 -0.535 0.000 0.981 464 K CB -0.423 31.358 32.500 -1.199 0.000 0.795 464 K HN 0.576 nan 8.250 nan 0.000 0.477 465 V N 0.201 120.064 119.914 -0.086 0.000 2.343 465 V HA -0.199 3.918 4.120 -0.003 0.000 0.247 465 V C 2.250 178.443 176.094 0.163 0.000 1.051 465 V CA 1.800 64.266 62.300 0.278 0.000 1.036 465 V CB -0.455 31.539 31.823 0.285 0.000 0.654 465 V HN 0.216 nan 8.190 nan 0.000 0.451 466 E N 1.492 121.738 120.200 0.077 0.000 2.046 466 E HA -0.254 4.094 4.350 -0.003 0.000 0.190 466 E C 2.368 178.993 176.600 0.043 0.000 0.982 466 E CA 1.649 58.084 56.400 0.058 0.000 0.800 466 E CB -0.434 29.286 29.700 0.034 0.000 0.756 466 E HN 0.531 nan 8.360 nan 0.000 0.449 467 R N 1.255 121.765 120.500 0.017 0.000 2.228 467 R HA -0.195 4.143 4.340 -0.003 0.000 0.259 467 R C 2.025 178.315 176.300 -0.017 0.000 1.183 467 R CA 1.795 57.892 56.100 -0.004 0.000 1.002 467 R CB -1.074 29.218 30.300 -0.014 0.000 0.879 467 R HN 0.234 nan 8.270 nan 0.000 0.467 468 A N 0.433 123.282 122.820 0.049 0.000 1.859 468 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 468 A C 1.110 178.683 177.584 -0.019 0.000 1.209 468 A CA 1.940 53.990 52.037 0.022 0.000 0.639 468 A CB -0.421 18.688 19.000 0.182 0.000 0.835 468 A HN 0.572 nan 8.150 nan 0.000 0.450 469 N N -0.615 118.094 118.700 0.014 0.000 2.635 469 N HA 0.438 5.176 4.740 -0.003 0.000 0.307 469 N C 0.759 176.272 175.510 0.005 0.000 1.433 469 N CA 0.616 53.668 53.050 0.003 0.000 0.973 469 N CB 0.937 39.434 38.487 0.017 0.000 1.304 469 N HN 0.471 nan 8.380 nan 0.000 0.507 470 A N 0.126 122.944 122.820 -0.004 0.000 1.831 470 A HA -0.053 4.265 4.320 -0.003 0.000 0.213 470 A C 2.159 179.751 177.584 0.014 0.000 1.223 470 A CA 0.947 52.987 52.037 0.005 0.000 0.604 470 A CB -0.645 18.354 19.000 -0.001 0.000 0.878 470 A HN 0.490 nan 8.150 nan 0.000 0.450 471 C N 0.412 119.715 119.300 0.005 0.000 2.437 471 C HA -0.021 4.436 4.460 -0.003 0.000 0.283 471 C C 2.559 177.563 174.990 0.024 0.000 1.424 471 C CA 0.743 59.775 59.018 0.022 0.000 1.782 471 C CB -1.560 26.173 27.740 -0.011 0.000 1.833 471 C HN 0.571 nan 8.230 nan 0.000 0.532 472 N N 1.435 120.137 118.700 0.003 0.000 2.173 472 N HA -0.085 4.653 4.740 -0.003 0.000 0.184 472 N C 1.955 177.478 175.510 0.021 0.000 1.025 472 N CA 1.806 54.856 53.050 0.000 0.000 0.852 472 N CB -0.412 38.066 38.487 -0.015 0.000 0.998 472 N HN 0.627 nan 8.380 nan 0.000 0.427 473 S N 0.765 116.478 115.700 0.023 0.000 2.515 473 S HA -0.052 4.416 4.470 -0.003 0.000 0.231 473 S C 2.175 176.796 174.600 0.035 0.000 0.987 473 S CA 0.807 59.022 58.200 0.026 0.000 0.936 473 S CB -0.653 62.560 63.200 0.021 0.000 0.766 473 S HN 0.231 nan 8.310 nan 0.000 0.528 474 V N -0.327 119.621 119.914 0.056 0.000 2.591 474 V HA 0.179 4.297 4.120 -0.003 0.000 0.249 474 V C 2.004 178.156 176.094 0.096 0.000 1.053 474 V CA 0.933 63.273 62.300 0.066 0.000 1.068 474 V CB -0.838 31.052 31.823 0.112 0.000 0.689 474 V HN 0.515 nan 8.190 nan 0.000 0.462 475 I N -0.011 120.640 120.570 0.135 0.000 2.876 475 I HA 0.007 4.175 4.170 -0.003 0.000 0.264 475 I C 2.833 178.995 176.117 0.076 0.000 1.204 475 I CA 0.831 62.220 61.300 0.148 0.000 1.485 475 I CB -0.267 37.790 38.000 0.095 0.000 1.103 475 I HN 0.233 nan 8.210 nan 0.000 0.446 476 R N 0.554 121.086 120.500 0.052 0.000 2.236 476 R HA -0.066 4.272 4.340 -0.003 0.000 0.208 476 R C 1.629 177.948 176.300 0.033 0.000 1.036 476 R CA 0.749 56.873 56.100 0.039 0.000 1.001 476 R CB -0.039 30.279 30.300 0.029 0.000 0.896 476 R HN 0.489 nan 8.270 nan 0.000 0.464 477 Q N 0.065 119.880 119.800 0.026 0.000 2.319 477 Q HA 0.095 4.433 4.340 -0.003 0.000 0.202 477 Q C 1.732 177.732 176.000 -0.001 0.000 0.896 477 Q CA 0.133 55.941 55.803 0.008 0.000 0.942 477 Q CB 0.516 29.252 28.738 -0.004 0.000 1.083 477 Q HN 0.284 nan 8.270 nan 0.000 0.510 478 L N -0.542 120.688 121.223 0.012 0.000 2.298 478 L HA 0.194 4.532 4.340 -0.003 0.000 0.209 478 L C 0.092 176.981 176.870 0.032 0.000 1.084 478 L CA 0.460 55.303 54.840 0.005 0.000 0.816 478 L CB 0.614 42.683 42.059 0.017 0.000 0.967 478 L HN 0.081 nan 8.230 nan 0.000 0.460 479 M N 0.697 120.330 119.600 0.054 0.000 2.465 479 M HA 0.316 4.793 4.480 -0.003 0.000 0.316 479 M C -0.887 175.437 176.300 0.041 0.000 1.121 479 M CA -0.322 55.016 55.300 0.064 0.000 0.934 479 M CB 1.723 34.410 32.600 0.144 0.000 1.692 479 M HN -0.108 nan 8.290 nan 0.000 0.444 480 K N 2.280 122.691 120.400 0.019 0.000 2.263 480 K HA 0.240 4.558 4.320 -0.003 0.000 0.272 480 K C -0.320 176.281 176.600 0.002 0.000 1.033 480 K CA -0.364 55.932 56.287 0.015 0.000 0.884 480 K CB 0.964 33.473 32.500 0.015 0.000 1.107 480 K HN 0.576 nan 8.250 nan 0.000 0.460 481 K N 4.826 125.232 120.400 0.010 0.000 2.294 481 K HA -0.021 4.297 4.320 -0.003 0.000 0.288 481 K C 0.327 176.925 176.600 -0.003 0.000 1.072 481 K CA -0.220 56.061 56.287 -0.010 0.000 0.960 481 K CB 0.606 33.113 32.500 0.012 0.000 1.043 481 K HN 0.594 nan 8.250 nan 0.000 0.455 482 E N 3.547 123.729 120.200 -0.031 0.000 1.997 482 E HA -0.081 4.267 4.350 -0.003 0.000 0.196 482 E C 0.672 177.319 176.600 0.078 0.000 0.990 482 E CA 1.330 57.749 56.400 0.031 0.000 0.845 482 E CB -0.218 29.517 29.700 0.057 0.000 0.795 482 E HN 0.589 nan 8.360 nan 0.000 0.479 483 F N -1.684 118.307 119.950 0.068 0.000 2.814 483 F HA 0.700 5.225 4.527 -0.003 0.000 0.353 483 F C -0.298 175.525 175.800 0.038 0.000 1.177 483 F CA -1.071 56.950 58.000 0.034 0.000 1.036 483 F CB 1.317 40.315 39.000 -0.004 0.000 1.455 483 F HN -0.136 nan 8.300 nan 0.000 0.520 484 T N 0.738 115.488 114.554 0.328 0.000 3.041 484 T HA 0.508 4.856 4.350 -0.003 0.000 0.321 484 T C -1.707 173.058 174.700 0.108 0.000 1.184 484 T CA -0.711 61.474 62.100 0.142 0.000 1.050 484 T CB 0.978 69.896 68.868 0.083 0.000 1.159 484 T HN 0.816 nan 8.240 nan 0.000 0.469 485 L N 5.550 126.732 121.223 -0.069 0.000 2.282 485 L HA 0.388 4.726 4.340 -0.003 0.000 0.287 485 L C 1.261 178.040 176.870 -0.151 0.000 1.075 485 L CA -0.969 53.591 54.840 -0.468 0.000 0.839 485 L CB 0.455 42.093 42.059 -0.701 0.000 1.219 485 L HN 0.734 nan 8.230 nan 0.000 0.434 486 E N 3.487 123.713 120.200 0.043 0.000 2.438 486 E HA -0.086 4.262 4.350 -0.003 0.000 0.261 486 E C -0.615 176.119 176.600 0.224 0.000 1.103 486 E CA -0.339 56.174 56.400 0.189 0.000 0.959 486 E CB 0.880 30.736 29.700 0.261 0.000 0.958 486 E HN 0.326 nan 8.360 nan 0.000 0.447 487 F N 1.632 121.652 119.950 0.116 0.000 2.518 487 F HA 0.147 4.672 4.527 -0.003 0.000 0.359 487 F C -0.092 175.787 175.800 0.133 0.000 1.118 487 F CA 0.557 58.622 58.000 0.108 0.000 1.287 487 F CB 0.598 39.647 39.000 0.081 0.000 1.132 487 F HN 0.515 nan 8.300 nan 0.000 0.587 488 S N 4.876 120.298 115.700 -0.463 0.000 2.543 488 S HA 0.415 4.883 4.470 -0.003 0.000 0.271 488 S C 0.028 174.363 174.600 -0.441 0.000 1.148 488 S CA -1.168 56.932 58.200 -0.165 0.000 0.914 488 S CB 1.962 65.143 63.200 -0.031 0.000 1.096 488 S HN 0.777 nan 8.310 nan 0.000 0.471 489 R N 1.058 121.518 120.500 -0.067 0.000 2.285 489 R HA -0.072 4.266 4.340 -0.003 0.000 0.213 489 R C 1.411 177.679 176.300 -0.053 0.000 1.068 489 R CA 1.515 57.619 56.100 0.006 0.000 1.004 489 R CB -0.394 29.998 30.300 0.153 0.000 0.873 489 R HN 0.838 nan 8.270 nan 0.000 0.467 490 D N 1.449 121.804 120.400 -0.075 0.000 2.077 490 D HA -0.248 4.390 4.640 -0.003 0.000 0.193 490 D C 1.679 177.933 176.300 -0.076 0.000 0.989 490 D CA 1.508 55.476 54.000 -0.054 0.000 0.831 490 D CB -0.417 40.353 40.800 -0.050 0.000 0.979 490 D HN 0.366 nan 8.370 nan 0.000 0.449 491 R N -0.379 120.045 120.500 -0.128 0.000 2.280 491 R HA 0.110 4.448 4.340 -0.003 0.000 0.195 491 R C 0.254 176.457 176.300 -0.162 0.000 0.935 491 R CA -0.229 55.803 56.100 -0.114 0.000 1.033 491 R CB -0.101 30.148 30.300 -0.086 0.000 0.964 491 R HN -0.182 nan 8.270 nan 0.000 0.489 492 K N 1.451 121.654 120.400 -0.327 0.000 3.150 492 K HA -0.169 4.149 4.320 -0.003 0.000 0.267 492 K C -0.864 175.602 176.600 -0.223 0.000 1.028 492 K CA 1.295 57.381 56.287 -0.335 0.000 0.753 492 K CB -1.844 30.666 32.500 0.017 0.000 1.288 492 K HN 0.743 nan 8.250 nan 0.000 0.473 493 S N -1.780 113.643 115.700 -0.462 0.000 2.636 493 S HA 0.772 5.240 4.470 -0.003 0.000 0.266 493 S C -0.555 174.025 174.600 -0.034 0.000 1.147 493 S CA -0.753 57.419 58.200 -0.046 0.000 0.815 493 S CB 2.561 65.768 63.200 0.012 0.000 1.119 493 S HN 0.440 nan 8.310 nan 0.000 0.470 494 M N 0.070 119.740 119.600 0.116 0.000 2.683 494 M HA 0.911 5.389 4.480 -0.003 0.000 0.274 494 M C -0.915 175.427 176.300 0.070 0.000 1.272 494 M CA -0.579 54.782 55.300 0.102 0.000 0.833 494 M CB 1.840 34.559 32.600 0.198 0.000 1.708 494 M HN 1.318 nan 8.290 nan 0.000 0.463 495 S N 0.134 115.854 115.700 0.033 0.000 2.752 495 S HA 0.930 5.397 4.470 -0.003 0.000 0.284 495 S C -1.032 173.565 174.600 -0.005 0.000 1.189 495 S CA -0.117 58.098 58.200 0.025 0.000 0.835 495 S CB 1.653 64.861 63.200 0.013 0.000 1.192 495 S HN 1.918 nan 8.310 nan 0.000 0.506 496 V N -1.550 118.331 119.914 -0.054 0.000 2.969 496 V HA 0.716 4.833 4.120 -0.003 0.000 0.304 496 V C -1.697 174.205 176.094 -0.320 0.000 1.192 496 V CA -0.927 61.291 62.300 -0.137 0.000 0.962 496 V CB 1.170 32.962 31.823 -0.051 0.000 1.045 496 V HN 1.104 nan 8.190 nan 0.000 0.428 497 Y N 3.061 122.933 120.300 -0.712 0.000 2.326 497 Y HA 0.746 5.294 4.550 -0.003 0.000 0.337 497 Y C -0.151 175.399 175.900 -0.584 0.000 1.023 497 Y CA -0.185 57.420 58.100 -0.825 0.000 1.143 497 Y CB 1.199 38.683 38.460 -1.627 0.000 1.183 497 Y HN 1.011 nan 8.280 nan 0.000 0.485 498 C N 4.933 123.814 119.300 -0.699 0.000 2.431 498 C HA 0.597 5.055 4.460 -0.003 0.000 0.321 498 C C -0.286 174.478 174.990 -0.376 0.000 1.202 498 C CA -1.009 57.770 59.018 -0.399 0.000 1.398 498 C CB 0.204 27.754 27.740 -0.317 0.000 2.047 498 C HN 0.908 nan 8.230 nan 0.000 0.465 499 S N 3.152 118.762 115.700 -0.149 0.000 2.690 499 S HA 0.798 5.266 4.470 -0.003 0.000 0.291 499 S C -2.852 171.719 174.600 -0.049 0.000 1.138 499 S CA -1.098 57.050 58.200 -0.087 0.000 1.013 499 S CB 1.085 64.296 63.200 0.018 0.000 1.053 499 S HN 0.477 nan 8.310 nan 0.000 0.539 500 P HA 0.435 nan 4.420 nan 0.000 0.288 500 P C -1.239 176.060 177.300 -0.001 0.000 1.291 500 P CA -0.536 62.558 63.100 -0.010 0.000 0.766 500 P CB 0.261 31.955 31.700 -0.011 0.000 1.242 501 A N -0.336 122.483 122.820 -0.001 0.000 2.466 501 A HA 0.572 4.890 4.320 -0.003 0.000 0.291 501 A C -0.609 176.969 177.584 -0.008 0.000 1.234 501 A CA -0.393 51.642 52.037 -0.002 0.000 0.752 501 A CB -0.176 18.823 19.000 -0.003 0.000 1.153 501 A HN 0.505 nan 8.150 nan 0.000 0.458 502 K N -0.188 120.209 120.400 -0.006 0.000 1.889 502 K HA -0.169 4.149 4.320 -0.003 0.000 0.830 502 K C 0.939 177.534 176.600 -0.009 0.000 2.106 502 K CA 0.695 56.977 56.287 -0.008 0.000 1.379 502 K CB -1.227 31.265 32.500 -0.013 0.000 2.598 502 K HN 1.211 nan 8.250 nan 0.000 0.232 503 S N -0.702 114.992 115.700 -0.010 0.000 2.558 503 S HA 0.042 4.510 4.470 -0.003 0.000 0.217 503 S C 1.211 175.802 174.600 -0.014 0.000 0.975 503 S CA 0.871 59.065 58.200 -0.010 0.000 0.912 503 S CB 0.345 63.540 63.200 -0.009 0.000 0.776 503 S HN 0.434 nan 8.310 nan 0.000 0.526 504 S N 1.694 117.383 115.700 -0.018 0.000 2.555 504 S HA 0.206 4.674 4.470 -0.003 0.000 0.230 504 S C 1.165 175.752 174.600 -0.023 0.000 0.978 504 S CA 0.275 58.460 58.200 -0.025 0.000 0.934 504 S CB -0.055 63.124 63.200 -0.035 0.000 0.766 504 S HN 0.397 nan 8.310 nan 0.000 0.533 505 R N -0.497 119.993 120.500 -0.016 0.000 2.563 505 R HA 0.402 4.740 4.340 -0.003 0.000 0.443 505 R C 1.227 177.522 176.300 -0.008 0.000 0.956 505 R CA 0.375 56.469 56.100 -0.010 0.000 1.141 505 R CB -0.394 29.903 30.300 -0.006 0.000 1.553 505 R HN 0.269 nan 8.270 nan 0.000 0.577 506 A N 1.789 124.603 122.820 -0.009 0.000 1.859 506 A HA 0.008 4.326 4.320 -0.003 0.000 0.217 506 A C 1.269 178.847 177.584 -0.011 0.000 1.198 506 A CA 1.470 53.501 52.037 -0.009 0.000 0.629 506 A CB -0.550 18.446 19.000 -0.008 0.000 0.830 506 A HN 0.357 nan 8.150 nan 0.000 0.446 507 A N -0.256 122.559 122.820 -0.010 0.000 2.615 507 A HA 0.254 4.572 4.320 -0.003 0.000 0.240 507 A C 1.182 178.757 177.584 -0.015 0.000 1.003 507 A CA 0.685 52.715 52.037 -0.011 0.000 0.778 507 A CB -1.136 17.859 19.000 -0.008 0.000 0.907 507 A HN 2.113 nan 8.150 nan 0.000 0.507 508 V N 0.987 120.889 119.914 -0.020 0.000 5.176 508 V HA -0.322 3.796 4.120 -0.003 0.000 0.252 508 V C 1.441 177.507 176.094 -0.046 0.000 0.665 508 V CA 1.706 63.987 62.300 -0.031 0.000 0.654 508 V CB -2.619 29.185 31.823 -0.031 0.000 0.440 508 V HN 2.193 nan 8.190 nan 0.000 0.806 509 G N 1.407 110.181 108.800 -0.042 0.000 2.900 509 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.212 509 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.212 509 G C 0.565 175.392 174.900 -0.122 0.000 1.359 509 G CA 0.999 46.064 45.100 -0.058 0.000 0.800 509 G HN 0.830 nan 8.290 nan 0.000 0.680 510 N N 1.755 120.371 118.700 -0.139 0.000 2.315 510 N HA 0.075 4.813 4.740 -0.003 0.000 0.270 510 N C -0.061 175.198 175.510 -0.419 0.000 1.329 510 N CA 0.893 53.762 53.050 -0.302 0.000 0.860 510 N CB 0.648 39.031 38.487 -0.174 0.000 1.095 510 N HN 0.257 nan 8.380 nan 0.000 0.487 511 K N 1.750 121.769 120.400 -0.636 0.000 2.443 511 K HA 0.451 4.769 4.320 -0.003 0.000 0.251 511 K C -0.407 175.606 176.600 -0.978 0.000 0.972 511 K CA -0.618 55.265 56.287 -0.672 0.000 0.833 511 K CB 2.402 34.537 32.500 -0.608 0.000 1.317 511 K HN 0.443 nan 8.250 nan 0.000 0.441 512 M N 2.398 121.548 119.600 -0.750 0.000 2.093 512 M HA 0.383 4.861 4.480 -0.003 0.000 0.297 512 M C -1.573 174.484 176.300 -0.404 0.000 0.938 512 M CA -0.703 54.240 55.300 -0.594 0.000 0.920 512 M CB 0.610 33.046 32.600 -0.273 0.000 1.517 512 M HN 0.313 nan 8.290 nan 0.000 0.427 513 F N 4.818 124.696 119.950 -0.120 0.000 2.371 513 F HA 0.508 5.033 4.527 -0.003 0.000 0.363 513 F C -0.039 175.731 175.800 -0.051 0.000 1.122 513 F CA -1.022 56.928 58.000 -0.083 0.000 1.129 513 F CB 0.873 39.820 39.000 -0.089 0.000 1.173 513 F HN 0.257 nan 8.300 nan 0.000 0.489 514 V N 5.443 125.448 119.914 0.153 0.000 2.513 514 V HA 0.726 4.844 4.120 -0.003 0.000 0.299 514 V C -0.873 175.268 176.094 0.080 0.000 1.035 514 V CA -0.644 61.714 62.300 0.097 0.000 0.889 514 V CB 1.680 33.550 31.823 0.077 0.000 0.988 514 V HN 0.813 nan 8.190 nan 0.000 0.440 515 K N 5.142 125.592 120.400 0.084 0.000 2.471 515 K HA 0.927 5.245 4.320 -0.003 0.000 0.252 515 K C -0.477 176.197 176.600 0.124 0.000 0.938 515 K CA -0.239 56.095 56.287 0.078 0.000 0.796 515 K CB 2.111 34.644 32.500 0.056 0.000 1.161 515 K HN 1.088 nan 8.250 nan 0.000 0.425 516 G N 1.087 109.962 108.800 0.124 0.000 2.634 516 G HA2 0.578 4.536 3.960 -0.003 0.000 0.309 516 G HA3 0.578 4.536 3.960 -0.003 0.000 0.309 516 G C -1.419 173.571 174.900 0.149 0.000 1.299 516 G CA -0.668 44.534 45.100 0.171 0.000 0.798 516 G HN 0.757 nan 8.290 nan 0.000 0.490 517 A N 0.184 123.100 122.820 0.161 0.000 2.483 517 A HA 0.570 4.888 4.320 -0.003 0.000 0.238 517 A C -1.039 176.604 177.584 0.098 0.000 1.070 517 A CA -0.184 51.930 52.037 0.128 0.000 0.770 517 A CB 0.248 19.324 19.000 0.127 0.000 1.008 517 A HN 0.321 nan 8.150 nan 0.000 0.497 518 P HA -0.185 nan 4.420 nan 0.000 0.214 518 P C 1.456 178.780 177.300 0.039 0.000 1.163 518 P CA 1.588 64.728 63.100 0.066 0.000 0.883 518 P CB 0.143 31.876 31.700 0.056 0.000 0.788 519 E N -0.297 119.922 120.200 0.033 0.000 2.049 519 E HA -0.191 4.157 4.350 -0.003 0.000 0.198 519 E C 2.092 178.705 176.600 0.022 0.000 1.007 519 E CA 1.716 58.127 56.400 0.017 0.000 0.809 519 E CB -1.082 28.630 29.700 0.021 0.000 0.749 519 E HN 0.093 nan 8.360 nan 0.000 0.450 520 G N 1.147 109.969 108.800 0.036 0.000 2.739 520 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.216 520 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.216 520 G C 1.664 176.586 174.900 0.036 0.000 1.298 520 G CA 2.177 47.296 45.100 0.032 0.000 0.804 520 G HN 0.455 nan 8.290 nan 0.000 0.623 521 V N 0.057 120.005 119.914 0.056 0.000 2.469 521 V HA -0.100 4.018 4.120 -0.003 0.000 0.251 521 V C 2.650 178.788 176.094 0.073 0.000 1.064 521 V CA 2.033 64.376 62.300 0.072 0.000 1.066 521 V CB -0.457 31.425 31.823 0.100 0.000 0.667 521 V HN 0.453 nan 8.190 nan 0.000 0.461 522 I N 0.528 121.130 120.570 0.053 0.000 2.614 522 I HA -0.132 4.036 4.170 -0.003 0.000 0.258 522 I C 2.179 178.294 176.117 -0.004 0.000 1.189 522 I CA 1.595 62.903 61.300 0.013 0.000 1.462 522 I CB -0.534 37.427 38.000 -0.065 0.000 1.092 522 I HN 0.345 nan 8.210 nan 0.000 0.442 523 D N 1.051 121.452 120.400 0.002 0.000 2.224 523 D HA -0.077 4.561 4.640 -0.003 0.000 0.205 523 D C 1.690 177.988 176.300 -0.004 0.000 0.965 523 D CA 0.916 54.911 54.000 -0.008 0.000 0.852 523 D CB -0.036 40.761 40.800 -0.005 0.000 0.947 523 D HN 0.350 nan 8.370 nan 0.000 0.494 524 R N -0.315 120.194 120.500 0.015 0.000 2.449 524 R HA 0.203 4.541 4.340 -0.003 0.000 0.262 524 R C -0.193 176.125 176.300 0.030 0.000 1.006 524 R CA -0.169 55.944 56.100 0.022 0.000 1.104 524 R CB 0.076 30.399 30.300 0.038 0.000 1.206 524 R HN -0.011 nan 8.270 nan 0.000 0.538 525 C N 0.567 119.879 119.300 0.021 0.000 2.264 525 C HA 0.242 4.699 4.460 -0.003 0.000 0.324 525 C C 1.089 176.044 174.990 -0.059 0.000 1.267 525 C CA -0.725 58.316 59.018 0.037 0.000 1.618 525 C CB 0.384 28.187 27.740 0.105 0.000 2.278 525 C HN 0.579 nan 8.230 nan 0.000 0.499 526 N N 0.773 119.366 118.700 -0.178 0.000 2.325 526 N HA 0.150 4.888 4.740 -0.003 0.000 0.182 526 N C -0.880 174.218 175.510 -0.688 0.000 1.088 526 N CA 0.557 53.302 53.050 -0.508 0.000 0.879 526 N CB 0.372 38.370 38.487 -0.815 0.000 0.983 526 N HN 0.709 nan 8.380 nan 0.000 0.471 527 Y N -0.873 119.467 120.300 0.067 0.000 2.615 527 Y HA 0.513 5.060 4.550 -0.003 0.000 0.341 527 Y C -0.320 175.648 175.900 0.114 0.000 1.089 527 Y CA -1.624 56.521 58.100 0.074 0.000 1.049 527 Y CB 0.946 39.443 38.460 0.062 0.000 1.296 527 Y HN -0.340 nan 8.280 nan 0.000 0.470 528 V N -0.797 119.295 119.914 0.298 0.000 2.864 528 V HA 0.725 4.843 4.120 -0.003 0.000 0.314 528 V C -0.904 175.307 176.094 0.196 0.000 1.073 528 V CA -1.220 61.244 62.300 0.275 0.000 0.956 528 V CB 2.082 34.062 31.823 0.261 0.000 1.023 528 V HN 0.862 nan 8.190 nan 0.000 0.435 529 R N 2.415 123.004 120.500 0.147 0.000 2.288 529 R HA 0.660 4.998 4.340 -0.003 0.000 0.326 529 R C -0.757 175.592 176.300 0.082 0.000 0.959 529 R CA -0.452 55.694 56.100 0.077 0.000 0.834 529 R CB 1.748 32.057 30.300 0.016 0.000 1.157 529 R HN 1.077 nan 8.270 nan 0.000 0.470 530 V N 3.231 123.196 119.914 0.086 0.000 2.218 530 V HA 0.628 4.746 4.120 -0.003 0.000 0.261 530 V C 0.684 176.822 176.094 0.073 0.000 1.142 530 V CA 0.483 62.840 62.300 0.095 0.000 0.965 530 V CB 0.060 31.944 31.823 0.102 0.000 1.190 530 V HN 1.069 nan 8.190 nan 0.000 0.478 531 G N 4.689 113.529 108.800 0.066 0.000 4.257 531 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.270 531 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.270 531 G C 0.886 175.803 174.900 0.027 0.000 1.717 531 G CA 0.824 45.957 45.100 0.056 0.000 1.170 531 G HN 1.860 nan 8.290 nan 0.000 0.642 532 T N -1.750 112.817 114.554 0.022 0.000 3.009 532 T HA 0.478 4.826 4.350 -0.003 0.000 0.267 532 T C 1.241 175.945 174.700 0.006 0.000 0.942 532 T CA 1.755 63.861 62.100 0.010 0.000 0.883 532 T CB 0.224 69.098 68.868 0.010 0.000 1.192 532 T HN 1.789 nan 8.240 nan 0.000 0.524 533 T N 0.387 114.950 114.554 0.015 0.000 2.902 533 T HA 0.723 5.071 4.350 -0.003 0.000 0.287 533 T C -0.255 174.453 174.700 0.012 0.000 1.048 533 T CA -0.770 61.337 62.100 0.011 0.000 0.941 533 T CB 1.869 70.749 68.868 0.021 0.000 1.432 533 T HN 0.596 nan 8.240 nan 0.000 0.586 534 R N -0.716 119.791 120.500 0.012 0.000 2.663 534 R HA 0.658 4.996 4.340 -0.003 0.000 0.267 534 R C -2.154 174.178 176.300 0.054 0.000 1.038 534 R CA -0.710 55.402 56.100 0.020 0.000 0.886 534 R CB 1.849 32.113 30.300 -0.060 0.000 1.249 534 R HN 0.647 nan 8.270 nan 0.000 0.463 535 V N 2.116 122.101 119.914 0.118 0.000 3.181 535 V HA 0.627 4.745 4.120 -0.003 0.000 0.308 535 V C -2.601 173.645 176.094 0.253 0.000 1.214 535 V CA -2.098 60.292 62.300 0.150 0.000 1.053 535 V CB 2.400 34.296 31.823 0.121 0.000 1.069 535 V HN 0.751 nan 8.190 nan 0.000 0.441 536 P HA 0.412 nan 4.420 nan 0.000 0.290 536 P C -0.634 176.717 177.300 0.085 0.000 1.276 536 P CA -0.570 62.642 63.100 0.186 0.000 0.808 536 P CB 0.654 32.426 31.700 0.119 0.000 0.966 537 M N 3.768 123.386 119.600 0.031 0.000 2.284 537 M HA 0.145 4.622 4.480 -0.003 0.000 0.351 537 M C -0.272 176.020 176.300 -0.012 0.000 1.443 537 M CA 1.112 56.417 55.300 0.010 0.000 1.031 537 M CB -0.661 31.922 32.600 -0.029 0.000 1.893 537 M HN 0.443 nan 8.290 nan 0.000 0.456 538 T N 1.894 116.444 114.554 -0.006 0.000 2.907 538 T HA 0.694 5.042 4.350 -0.003 0.000 0.292 538 T C 1.047 175.729 174.700 -0.029 0.000 1.043 538 T CA -0.612 61.479 62.100 -0.016 0.000 1.003 538 T CB 1.380 70.245 68.868 -0.005 0.000 1.084 538 T HN 0.721 nan 8.240 nan 0.000 0.483 539 G N 2.107 110.886 108.800 -0.034 0.000 2.681 539 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.220 539 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.220 539 G C -0.352 174.522 174.900 -0.044 0.000 1.210 539 G CA 1.419 46.494 45.100 -0.040 0.000 0.783 539 G HN 0.734 nan 8.290 nan 0.000 0.609 540 P HA -0.098 nan 4.420 nan 0.000 0.215 540 P C 2.079 179.356 177.300 -0.038 0.000 1.157 540 P CA 1.874 64.948 63.100 -0.044 0.000 0.874 540 P CB -0.393 31.276 31.700 -0.051 0.000 0.790 541 V N 0.744 120.643 119.914 -0.026 0.000 2.407 541 V HA -0.206 3.912 4.120 -0.003 0.000 0.248 541 V C 2.860 178.916 176.094 -0.062 0.000 1.055 541 V CA 2.053 64.341 62.300 -0.020 0.000 1.049 541 V CB -1.305 30.525 31.823 0.011 0.000 0.662 541 V HN 0.152 nan 8.190 nan 0.000 0.455 542 K N -0.103 120.254 120.400 -0.072 0.000 2.062 542 K HA -0.157 4.161 4.320 -0.003 0.000 0.205 542 K C 2.155 178.693 176.600 -0.103 0.000 1.051 542 K CA 1.195 57.418 56.287 -0.105 0.000 0.941 542 K CB -0.006 32.442 32.500 -0.086 0.000 0.719 542 K HN 0.346 nan 8.250 nan 0.000 0.440 543 E N 0.750 120.902 120.200 -0.080 0.000 2.204 543 E HA -0.161 4.187 4.350 -0.003 0.000 0.194 543 E C 1.697 178.242 176.600 -0.091 0.000 0.989 543 E CA 0.955 57.309 56.400 -0.076 0.000 0.824 543 E CB -0.024 29.640 29.700 -0.060 0.000 0.756 543 E HN 0.127 nan 8.360 nan 0.000 0.477 544 K N 0.808 121.152 120.400 -0.093 0.000 2.288 544 K HA 0.056 4.374 4.320 -0.003 0.000 0.201 544 K C 1.828 178.323 176.600 -0.175 0.000 1.048 544 K CA 0.552 56.770 56.287 -0.115 0.000 0.956 544 K CB -0.106 32.343 32.500 -0.084 0.000 0.746 544 K HN 0.098 nan 8.250 nan 0.000 0.461 545 I N -0.230 120.246 120.570 -0.156 0.000 2.400 545 I HA -0.150 4.018 4.170 -0.003 0.000 0.248 545 I C 1.757 177.792 176.117 -0.136 0.000 1.109 545 I CA 0.609 61.820 61.300 -0.148 0.000 1.425 545 I CB -0.093 37.764 38.000 -0.239 0.000 1.094 545 I HN 0.035 nan 8.210 nan 0.000 0.425 546 L N 0.629 121.774 121.223 -0.130 0.000 2.141 546 L HA -0.162 4.176 4.340 -0.003 0.000 0.209 546 L C 2.825 179.637 176.870 -0.097 0.000 1.094 546 L CA 1.446 56.228 54.840 -0.097 0.000 0.763 546 L CB -0.654 41.357 42.059 -0.080 0.000 0.908 546 L HN 0.372 nan 8.230 nan 0.000 0.437 547 S N -0.310 115.319 115.700 -0.118 0.000 2.345 547 S HA -0.134 4.334 4.470 -0.003 0.000 0.220 547 S C 1.916 176.427 174.600 -0.149 0.000 1.031 547 S CA 1.139 59.274 58.200 -0.108 0.000 0.996 547 S CB -0.844 62.293 63.200 -0.105 0.000 0.882 547 S HN 0.148 nan 8.310 nan 0.000 0.445 548 V N 2.683 122.435 119.914 -0.269 0.000 2.469 548 V HA -0.122 3.996 4.120 -0.003 0.000 0.251 548 V C 2.487 178.294 176.094 -0.479 0.000 1.064 548 V CA 1.405 63.427 62.300 -0.464 0.000 1.066 548 V CB -0.912 30.414 31.823 -0.828 0.000 0.667 548 V HN 0.514 nan 8.190 nan 0.000 0.461 549 I N 0.205 120.623 120.570 -0.253 0.000 2.439 549 I HA -0.170 3.998 4.170 -0.003 0.000 0.251 549 I C 2.394 178.519 176.117 0.013 0.000 1.139 549 I CA 1.600 62.845 61.300 -0.092 0.000 1.438 549 I CB -0.896 37.091 38.000 -0.021 0.000 1.085 549 I HN 0.374 nan 8.210 nan 0.000 0.427 550 K N 1.613 122.007 120.400 -0.011 0.000 2.031 550 K HA -0.130 4.188 4.320 -0.003 0.000 0.205 550 K C 1.962 178.610 176.600 0.080 0.000 1.049 550 K CA 1.139 57.444 56.287 0.031 0.000 0.939 550 K CB 0.076 32.578 32.500 0.002 0.000 0.717 550 K HN 0.253 nan 8.250 nan 0.000 0.438 551 E N -0.406 119.845 120.200 0.085 0.000 2.058 551 E HA -0.219 4.129 4.350 -0.003 0.000 0.194 551 E C 1.821 178.600 176.600 0.299 0.000 0.997 551 E CA 1.490 57.987 56.400 0.162 0.000 0.801 551 E CB -0.269 29.535 29.700 0.174 0.000 0.746 551 E HN 0.400 nan 8.360 nan 0.000 0.450 552 W N 0.416 121.734 121.300 0.030 0.000 2.338 552 W HA -0.039 4.619 4.660 -0.003 0.000 0.304 552 W C 2.429 178.972 176.519 0.040 0.000 1.212 552 W CA 1.381 58.753 57.345 0.045 0.000 1.264 552 W CB -0.983 28.526 29.460 0.082 0.000 1.142 552 W HN 0.129 nan 8.180 nan 0.000 0.512 553 G N -2.593 106.376 108.800 0.281 0.000 2.939 553 G HA2 0.022 3.980 3.960 -0.003 0.000 0.210 553 G HA3 0.022 3.980 3.960 -0.003 0.000 0.210 553 G C 1.229 176.192 174.900 0.106 0.000 1.160 553 G CA 1.091 46.292 45.100 0.168 0.000 0.770 553 G HN 0.196 nan 8.290 nan 0.000 0.543 554 T N -0.286 114.327 114.554 0.099 0.000 2.955 554 T HA 0.297 4.645 4.350 -0.003 0.000 0.251 554 T C 1.470 176.202 174.700 0.054 0.000 1.002 554 T CA 0.298 62.434 62.100 0.060 0.000 0.970 554 T CB 0.666 69.560 68.868 0.043 0.000 1.091 554 T HN 0.290 nan 8.240 nan 0.000 0.495 555 G N 0.628 109.473 108.800 0.075 0.000 2.651 555 G HA2 0.232 4.190 3.960 -0.003 0.000 0.260 555 G HA3 0.232 4.190 3.960 -0.003 0.000 0.260 555 G C 0.637 175.558 174.900 0.034 0.000 1.216 555 G CA -0.614 44.520 45.100 0.056 0.000 0.913 555 G HN 0.234 nan 8.290 nan 0.000 0.535 556 R N -0.421 120.089 120.500 0.018 0.000 2.332 556 R HA -0.108 4.230 4.340 -0.003 0.000 0.239 556 R C 1.290 177.584 176.300 -0.010 0.000 1.160 556 R CA 1.269 57.370 56.100 0.003 0.000 1.020 556 R CB 0.014 30.311 30.300 -0.005 0.000 0.859 556 R HN 0.535 nan 8.270 nan 0.000 0.478 557 D N 0.082 120.474 120.400 -0.013 0.000 2.137 557 D HA -0.082 4.556 4.640 -0.003 0.000 0.202 557 D C 0.637 176.928 176.300 -0.015 0.000 0.970 557 D CA 1.702 55.677 54.000 -0.042 0.000 0.837 557 D CB -0.110 40.635 40.800 -0.092 0.000 0.981 557 D HN 0.279 nan 8.370 nan 0.000 0.475 558 T N -0.665 113.901 114.554 0.020 0.000 3.626 558 T HA -0.235 4.113 4.350 -0.003 0.000 0.393 558 T C 0.152 174.872 174.700 0.033 0.000 0.765 558 T CA 0.147 62.266 62.100 0.032 0.000 2.006 558 T CB -2.567 66.312 68.868 0.018 0.000 1.739 558 T HN 0.142 nan 8.240 nan 0.000 0.720 559 L N 0.268 121.526 121.223 0.057 0.000 2.325 559 L HA 0.539 4.877 4.340 -0.003 0.000 0.279 559 L C 1.067 178.005 176.870 0.113 0.000 1.054 559 L CA -1.099 53.780 54.840 0.065 0.000 0.804 559 L CB 1.347 43.438 42.059 0.054 0.000 1.200 559 L HN 0.360 nan 8.230 nan 0.000 0.436 560 R N 2.038 122.595 120.500 0.095 0.000 2.216 560 R HA 0.334 4.672 4.340 -0.003 0.000 0.332 560 R C -1.193 175.189 176.300 0.137 0.000 1.056 560 R CA -0.471 55.689 56.100 0.101 0.000 0.901 560 R CB 0.671 31.012 30.300 0.070 0.000 1.039 560 R HN 0.630 nan 8.270 nan 0.000 0.456 561 C N 5.720 125.115 119.300 0.158 0.000 2.369 561 C HA 0.431 4.889 4.460 -0.003 0.000 0.358 561 C C 0.027 175.095 174.990 0.129 0.000 1.274 561 C CA -0.588 58.538 59.018 0.180 0.000 1.935 561 C CB 0.295 28.157 27.740 0.204 0.000 2.431 561 C HN 0.716 nan 8.230 nan 0.000 0.545 562 L N 3.217 124.510 121.223 0.116 0.000 2.341 562 L HA 0.664 5.002 4.340 -0.003 0.000 0.278 562 L C 0.109 177.018 176.870 0.066 0.000 1.005 562 L CA -0.146 54.745 54.840 0.086 0.000 0.818 562 L CB 1.488 43.584 42.059 0.061 0.000 1.259 562 L HN 0.798 nan 8.230 nan 0.000 0.418 563 A N 5.831 128.699 122.820 0.080 0.000 2.288 563 A HA 0.748 5.066 4.320 -0.003 0.000 0.320 563 A C -0.855 176.750 177.584 0.036 0.000 1.217 563 A CA -0.521 51.574 52.037 0.097 0.000 0.840 563 A CB 0.726 19.838 19.000 0.186 0.000 1.179 563 A HN 0.656 nan 8.150 nan 0.000 0.504 564 L N 1.819 122.992 121.223 -0.083 0.000 2.317 564 L HA 0.853 5.191 4.340 -0.003 0.000 0.281 564 L C 0.344 177.105 176.870 -0.182 0.000 1.024 564 L CA -0.440 54.328 54.840 -0.120 0.000 0.810 564 L CB 1.669 43.620 42.059 -0.180 0.000 1.240 564 L HN 0.822 nan 8.230 nan 0.000 0.427 565 A N 1.424 124.204 122.820 -0.066 0.000 2.567 565 A HA 0.927 5.245 4.320 -0.003 0.000 0.289 565 A C -0.681 176.938 177.584 0.059 0.000 1.177 565 A CA -0.391 51.628 52.037 -0.029 0.000 0.694 565 A CB 2.211 21.250 19.000 0.065 0.000 1.292 565 A HN 0.683 nan 8.150 nan 0.000 0.425 566 T N -1.476 113.132 114.554 0.090 0.000 2.916 566 T HA 0.669 5.017 4.350 -0.003 0.000 0.305 566 T C -0.830 173.926 174.700 0.092 0.000 1.119 566 T CA -0.635 61.560 62.100 0.158 0.000 1.008 566 T CB 1.652 70.670 68.868 0.250 0.000 1.129 566 T HN 0.755 nan 8.240 nan 0.000 0.480 567 R N 1.983 122.503 120.500 0.033 0.000 2.280 567 R HA 0.232 4.570 4.340 -0.003 0.000 0.326 567 R C 0.223 176.505 176.300 -0.030 0.000 1.080 567 R CA -0.509 55.606 56.100 0.025 0.000 1.002 567 R CB 0.249 30.561 30.300 0.020 0.000 1.136 567 R HN 0.719 nan 8.270 nan 0.000 0.509 568 D N 1.118 121.517 120.400 -0.002 0.000 2.137 568 D HA -0.163 4.475 4.640 -0.003 0.000 0.189 568 D C 0.601 176.864 176.300 -0.061 0.000 0.998 568 D CA 1.959 55.936 54.000 -0.038 0.000 0.839 568 D CB 0.179 40.946 40.800 -0.055 0.000 0.962 568 D HN 0.555 nan 8.370 nan 0.000 0.446 569 T N 0.044 114.581 114.554 -0.030 0.000 2.947 569 T HA 0.435 4.783 4.350 -0.003 0.000 0.337 569 T C -2.471 172.229 174.700 0.000 0.000 1.139 569 T CA -1.726 60.359 62.100 -0.024 0.000 0.992 569 T CB 2.142 71.006 68.868 -0.006 0.000 1.043 569 T HN -0.111 nan 8.240 nan 0.000 0.498 570 P HA 0.424 nan 4.420 nan 0.000 0.275 570 P C -2.614 174.733 177.300 0.078 0.000 1.266 570 P CA -1.413 61.703 63.100 0.026 0.000 0.793 570 P CB -0.265 31.412 31.700 -0.040 0.000 1.074 571 P HA 0.191 nan 4.420 nan 0.000 0.274 571 P C -0.266 177.074 177.300 0.067 0.000 1.246 571 P CA -0.198 62.931 63.100 0.048 0.000 0.795 571 P CB 0.291 31.975 31.700 -0.027 0.000 1.006 572 K N 1.303 121.717 120.400 0.023 0.000 2.448 572 K HA -0.001 4.317 4.320 -0.003 0.000 0.278 572 K C 1.452 178.024 176.600 -0.046 0.000 1.009 572 K CA 0.174 56.472 56.287 0.018 0.000 0.995 572 K CB 0.433 32.933 32.500 -0.001 0.000 0.917 572 K HN 0.386 nan 8.250 nan 0.000 0.481 573 R N 2.802 123.262 120.500 -0.067 0.000 2.096 573 R HA -0.218 4.120 4.340 -0.003 0.000 0.240 573 R C 1.927 178.111 176.300 -0.193 0.000 1.139 573 R CA 2.228 58.193 56.100 -0.226 0.000 0.952 573 R CB -0.012 30.146 30.300 -0.237 0.000 0.854 573 R HN 0.773 nan 8.270 nan 0.000 0.436 574 E N 0.242 120.371 120.200 -0.117 0.000 2.265 574 E HA -0.197 4.151 4.350 -0.003 0.000 0.196 574 E C 0.537 177.076 176.600 -0.101 0.000 0.996 574 E CA 1.092 57.432 56.400 -0.100 0.000 0.832 574 E CB -0.106 29.559 29.700 -0.059 0.000 0.756 574 E HN 0.431 nan 8.360 nan 0.000 0.491 575 E N 0.396 120.533 120.200 -0.106 0.000 2.463 575 E HA 0.188 4.536 4.350 -0.003 0.000 0.191 575 E C 0.237 176.742 176.600 -0.158 0.000 1.083 575 E CA 0.182 56.527 56.400 -0.091 0.000 0.872 575 E CB -0.099 29.566 29.700 -0.059 0.000 0.966 575 E HN 0.406 nan 8.360 nan 0.000 0.491 576 M N 0.621 120.074 119.600 -0.245 0.000 2.311 576 M HA 0.246 4.724 4.480 -0.003 0.000 0.325 576 M C -0.507 175.710 176.300 -0.139 0.000 1.061 576 M CA -0.752 54.323 55.300 -0.374 0.000 0.957 576 M CB 2.674 34.886 32.600 -0.646 0.000 1.646 576 M HN -0.337 nan 8.290 nan 0.000 0.434 577 V N 5.530 125.517 119.914 0.121 0.000 2.284 577 V HA 0.141 4.258 4.120 -0.003 0.000 0.260 577 V C 0.761 176.958 176.094 0.172 0.000 1.084 577 V CA -0.246 62.114 62.300 0.100 0.000 0.894 577 V CB -0.341 31.538 31.823 0.094 0.000 1.119 577 V HN 0.801 nan 8.190 nan 0.000 0.484 578 L N 3.390 124.632 121.223 0.033 0.000 2.798 578 L HA 0.156 4.494 4.340 -0.003 0.000 0.254 578 L C 0.533 177.518 176.870 0.192 0.000 1.176 578 L CA 0.312 55.204 54.840 0.086 0.000 0.991 578 L CB -0.713 41.173 42.059 -0.288 0.000 1.225 578 L HN 0.802 nan 8.230 nan 0.000 0.420 579 D N -1.285 119.163 120.400 0.079 0.000 3.007 579 D HA 0.080 4.718 4.640 -0.003 0.000 0.363 579 D C -0.473 175.683 176.300 -0.239 0.000 1.474 579 D CA -0.393 53.632 54.000 0.042 0.000 0.767 579 D CB 0.109 40.965 40.800 0.094 0.000 1.227 579 D HN 0.243 nan 8.370 nan 0.000 0.471 580 D N -0.409 119.615 120.400 -0.626 0.000 2.634 580 D HA 0.006 4.644 4.640 -0.003 0.000 0.236 580 D C 0.743 176.348 176.300 -1.159 0.000 1.323 580 D CA -0.331 53.229 54.000 -0.733 0.000 0.884 580 D CB 0.313 40.890 40.800 -0.373 0.000 1.496 580 D HN -0.060 nan 8.370 nan 0.000 0.525 581 S N 0.516 115.317 115.700 -1.499 0.000 2.461 581 S HA -0.322 4.146 4.470 -0.003 0.000 0.249 581 S C 1.797 175.994 174.600 -0.671 0.000 1.012 581 S CA 1.437 58.802 58.200 -1.392 0.000 0.982 581 S CB -0.636 62.260 63.200 -0.506 0.000 0.764 581 S HN 0.567 nan 8.310 nan 0.000 0.506 582 S N 2.644 118.034 115.700 -0.516 0.000 2.356 582 S HA -0.097 4.371 4.470 -0.003 0.000 0.223 582 S C 1.859 176.281 174.600 -0.297 0.000 1.032 582 S CA 0.850 58.870 58.200 -0.300 0.000 1.005 582 S CB -0.499 62.563 63.200 -0.230 0.000 0.867 582 S HN 0.568 nan 8.310 nan 0.000 0.449 583 R N -0.348 119.911 120.500 -0.402 0.000 2.276 583 R HA 0.206 4.544 4.340 -0.003 0.000 0.203 583 R C 1.431 177.391 176.300 -0.566 0.000 1.017 583 R CA 0.473 56.310 56.100 -0.439 0.000 1.010 583 R CB -0.334 29.711 30.300 -0.426 0.000 0.900 583 R HN 0.354 nan 8.270 nan 0.000 0.469 584 F N 0.501 120.165 119.950 -0.475 0.000 2.250 584 F HA -0.184 4.341 4.527 -0.003 0.000 0.301 584 F C 2.081 177.737 175.800 -0.240 0.000 1.077 584 F CA 0.943 58.730 58.000 -0.355 0.000 1.348 584 F CB -0.425 38.492 39.000 -0.138 0.000 1.040 584 F HN 0.052 nan 8.300 nan 0.000 0.509 585 M N -0.529 119.053 119.600 -0.031 0.000 2.506 585 M HA -0.109 4.369 4.480 -0.003 0.000 0.260 585 M C 1.926 178.212 176.300 -0.023 0.000 1.104 585 M CA 0.974 56.263 55.300 -0.017 0.000 1.112 585 M CB 0.034 32.615 32.600 -0.031 0.000 1.401 585 M HN -0.010 nan 8.290 nan 0.000 0.473 586 E N 0.061 120.199 120.200 -0.102 0.000 2.112 586 E HA -0.140 4.208 4.350 -0.003 0.000 0.190 586 E C 1.291 177.981 176.600 0.151 0.000 0.979 586 E CA 1.681 58.068 56.400 -0.022 0.000 0.814 586 E CB -0.291 29.362 29.700 -0.079 0.000 0.762 586 E HN 0.516 nan 8.360 nan 0.000 0.460 587 Y N 0.942 121.309 120.300 0.111 0.000 2.439 587 Y HA 0.138 4.686 4.550 -0.003 0.000 0.292 587 Y C 0.770 176.723 175.900 0.089 0.000 1.130 587 Y CA 0.621 58.790 58.100 0.114 0.000 1.254 587 Y CB -0.374 38.178 38.460 0.154 0.000 1.000 587 Y HN 0.107 nan 8.280 nan 0.000 0.554 588 E N 1.036 121.359 120.200 0.204 0.000 2.364 588 E HA 0.158 4.506 4.350 -0.003 0.000 0.270 588 E C 0.108 176.769 176.600 0.102 0.000 1.398 588 E CA -0.135 56.343 56.400 0.130 0.000 1.721 588 E CB -0.095 29.658 29.700 0.088 0.000 1.525 588 E HN 0.285 nan 8.360 nan 0.000 0.446 589 T N -2.855 111.767 114.554 0.113 0.000 2.864 589 T HA 0.320 4.668 4.350 -0.003 0.000 0.289 589 T C -0.049 174.707 174.700 0.094 0.000 1.082 589 T CA -0.860 61.292 62.100 0.086 0.000 1.009 589 T CB 1.574 70.485 68.868 0.072 0.000 1.234 589 T HN 0.111 nan 8.240 nan 0.000 0.526 590 D N -0.276 120.168 120.400 0.072 0.000 2.746 590 D HA -0.136 4.502 4.640 -0.003 0.000 0.241 590 D C -0.755 175.642 176.300 0.161 0.000 1.140 590 D CA 0.485 54.538 54.000 0.089 0.000 0.707 590 D CB -1.645 39.227 40.800 0.120 0.000 1.034 590 D HN 0.655 nan 8.370 nan 0.000 0.423 591 L N -0.041 121.263 121.223 0.135 0.000 2.400 591 L HA 0.689 5.027 4.340 -0.003 0.000 0.264 591 L C 1.037 178.056 176.870 0.247 0.000 1.061 591 L CA -0.346 54.596 54.840 0.170 0.000 0.799 591 L CB 1.631 43.768 42.059 0.129 0.000 1.240 591 L HN 0.344 nan 8.230 nan 0.000 0.461 592 T N -1.589 113.101 114.554 0.228 0.000 2.815 592 T HA 0.370 4.718 4.350 -0.003 0.000 0.289 592 T C -0.565 174.242 174.700 0.178 0.000 1.000 592 T CA -0.520 61.731 62.100 0.252 0.000 0.958 592 T CB 0.651 69.635 68.868 0.193 0.000 0.944 592 T HN 0.275 nan 8.240 nan 0.000 0.442 593 F N 4.131 124.127 119.950 0.077 0.000 2.607 593 F HA 0.343 4.868 4.527 -0.003 0.000 0.374 593 F C 0.640 176.447 175.800 0.012 0.000 1.104 593 F CA 0.002 58.021 58.000 0.031 0.000 1.296 593 F CB 0.653 39.670 39.000 0.027 0.000 1.085 593 F HN 0.432 nan 8.300 nan 0.000 0.584 594 V N 4.134 123.465 119.914 -0.971 0.000 3.307 594 V HA 0.483 4.601 4.120 -0.003 0.000 0.244 594 V C 0.887 176.406 176.094 -0.958 0.000 1.196 594 V CA 0.658 62.534 62.300 -0.707 0.000 1.132 594 V CB -0.037 31.548 31.823 -0.396 0.000 0.875 594 V HN 1.165 nan 8.190 nan 0.000 0.468 595 G N -0.225 107.676 108.800 -1.499 0.000 2.328 595 G HA2 0.449 4.407 3.960 -0.003 0.000 0.299 595 G HA3 0.449 4.407 3.960 -0.003 0.000 0.299 595 G C -1.718 172.768 174.900 -0.690 0.000 1.435 595 G CA 0.115 44.614 45.100 -1.000 0.000 0.865 595 G HN 0.712 nan 8.290 nan 0.000 0.601 596 V N -2.214 117.317 119.914 -0.638 0.000 2.864 596 V HA 0.930 5.048 4.120 -0.003 0.000 0.314 596 V C -0.810 175.190 176.094 -0.157 0.000 1.073 596 V CA -1.094 61.010 62.300 -0.327 0.000 0.956 596 V CB 1.833 33.485 31.823 -0.285 0.000 1.023 596 V HN 1.146 nan 8.190 nan 0.000 0.435 597 V N 3.247 123.169 119.914 0.012 0.000 2.444 597 V HA 0.802 4.920 4.120 -0.003 0.000 0.294 597 V C 0.650 176.869 176.094 0.209 0.000 1.022 597 V CA 0.350 62.712 62.300 0.104 0.000 0.850 597 V CB 1.554 33.385 31.823 0.014 0.000 0.992 597 V HN 1.324 nan 8.190 nan 0.000 0.426 598 G N 6.595 115.590 108.800 0.324 0.000 2.384 598 G HA2 0.659 4.617 3.960 -0.003 0.000 0.316 598 G HA3 0.659 4.617 3.960 -0.003 0.000 0.316 598 G C -0.481 174.470 174.900 0.086 0.000 1.160 598 G CA -0.588 44.682 45.100 0.284 0.000 0.936 598 G HN 0.681 nan 8.290 nan 0.000 0.455 599 M N 1.747 121.391 119.600 0.073 0.000 2.777 599 M HA 0.873 5.351 4.480 -0.003 0.000 0.307 599 M C -1.548 174.761 176.300 0.016 0.000 1.228 599 M CA -1.228 54.090 55.300 0.030 0.000 0.871 599 M CB 2.343 34.969 32.600 0.042 0.000 1.721 599 M HN 0.336 nan 8.290 nan 0.000 0.487 600 L N 1.141 122.363 121.223 -0.002 0.000 2.408 600 L HA 0.585 4.923 4.340 -0.003 0.000 0.268 600 L C -1.720 175.144 176.870 -0.009 0.000 0.986 600 L CA 0.015 54.849 54.840 -0.011 0.000 0.820 600 L CB 2.051 44.089 42.059 -0.036 0.000 1.303 600 L HN 0.795 nan 8.230 nan 0.000 0.411 601 D N 6.130 126.527 120.400 -0.005 0.000 2.473 601 D HA 0.377 5.015 4.640 -0.003 0.000 0.226 601 D C -2.497 173.792 176.300 -0.019 0.000 1.089 601 D CA -1.759 52.237 54.000 -0.007 0.000 0.883 601 D CB 1.144 41.948 40.800 0.006 0.000 1.029 601 D HN 0.357 nan 8.370 nan 0.000 0.517 602 P HA 0.151 nan 4.420 nan 0.000 0.267 602 P C -2.648 174.636 177.300 -0.026 0.000 1.205 602 P CA -1.160 61.920 63.100 -0.033 0.000 0.765 602 P CB 0.399 32.073 31.700 -0.043 0.000 0.828 603 P HA 0.214 nan 4.420 nan 0.000 0.281 603 P C 0.013 177.304 177.300 -0.016 0.000 1.252 603 P CA -0.330 62.755 63.100 -0.025 0.000 0.778 603 P CB 0.768 32.447 31.700 -0.035 0.000 0.895 604 R N 2.538 123.035 120.500 -0.005 0.000 2.500 604 R HA -0.118 4.220 4.340 -0.003 0.000 0.281 604 R C 2.019 178.325 176.300 0.010 0.000 0.953 604 R CA 0.474 56.580 56.100 0.009 0.000 1.108 604 R CB 0.130 30.448 30.300 0.031 0.000 0.901 604 R HN 0.541 nan 8.270 nan 0.000 0.410 605 K N 2.594 122.998 120.400 0.008 0.000 1.991 605 K HA -0.233 4.085 4.320 -0.003 0.000 0.212 605 K C 0.862 177.474 176.600 0.020 0.000 1.049 605 K CA 1.873 58.164 56.287 0.008 0.000 0.932 605 K CB -0.115 32.388 32.500 0.003 0.000 0.717 605 K HN 0.467 nan 8.250 nan 0.000 0.441 606 E N 1.423 121.641 120.200 0.030 0.000 2.463 606 E HA -0.086 4.262 4.350 -0.003 0.000 0.201 606 E C 1.845 178.490 176.600 0.076 0.000 1.045 606 E CA 0.702 57.128 56.400 0.043 0.000 0.872 606 E CB -0.501 29.222 29.700 0.039 0.000 0.797 606 E HN 0.181 nan 8.360 nan 0.000 0.538 607 V N 0.565 120.527 119.914 0.080 0.000 2.453 607 V HA -0.197 3.921 4.120 -0.003 0.000 0.247 607 V C 2.065 178.199 176.094 0.067 0.000 1.048 607 V CA 1.683 64.054 62.300 0.118 0.000 1.049 607 V CB -0.413 31.434 31.823 0.040 0.000 0.672 607 V HN 0.334 nan 8.190 nan 0.000 0.457 608 M N 0.099 119.715 119.600 0.025 0.000 2.279 608 M HA -0.068 4.410 4.480 -0.003 0.000 0.264 608 M C 2.077 178.393 176.300 0.026 0.000 1.062 608 M CA 1.813 57.118 55.300 0.007 0.000 1.099 608 M CB -0.556 32.043 32.600 -0.002 0.000 1.394 608 M HN 0.485 nan 8.290 nan 0.000 0.426 609 G N -1.084 107.742 108.800 0.044 0.000 2.459 609 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.213 609 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.213 609 G C 1.538 176.479 174.900 0.069 0.000 1.155 609 G CA 0.402 45.528 45.100 0.044 0.000 0.811 609 G HN 0.383 nan 8.290 nan 0.000 0.534 610 S N 0.923 116.693 115.700 0.117 0.000 2.368 610 S HA -0.081 4.387 4.470 -0.003 0.000 0.225 610 S C 2.277 177.018 174.600 0.234 0.000 1.030 610 S CA 0.727 59.032 58.200 0.174 0.000 0.999 610 S CB -0.140 63.231 63.200 0.285 0.000 0.844 610 S HN 0.218 nan 8.310 nan 0.000 0.459 611 I N 1.684 122.386 120.570 0.219 0.000 2.226 611 I HA -0.147 4.021 4.170 -0.003 0.000 0.245 611 I C 2.625 178.787 176.117 0.074 0.000 1.100 611 I CA 1.358 62.737 61.300 0.132 0.000 1.374 611 I CB -1.403 36.590 38.000 -0.011 0.000 1.057 611 I HN 0.295 nan 8.210 nan 0.000 0.413 612 Q N 1.303 121.135 119.800 0.052 0.000 2.084 612 Q HA -0.134 4.204 4.340 -0.003 0.000 0.202 612 Q C 2.250 178.270 176.000 0.033 0.000 0.978 612 Q CA 1.594 57.416 55.803 0.031 0.000 0.844 612 Q CB -0.484 28.268 28.738 0.023 0.000 0.898 612 Q HN 0.510 nan 8.270 nan 0.000 0.426 613 L N -0.849 120.398 121.223 0.041 0.000 2.079 613 L HA -0.242 4.096 4.340 -0.003 0.000 0.210 613 L C 2.467 179.354 176.870 0.028 0.000 1.081 613 L CA 1.039 55.896 54.840 0.028 0.000 0.752 613 L CB -0.553 41.519 42.059 0.022 0.000 0.896 613 L HN 0.331 nan 8.230 nan 0.000 0.433 614 C N -0.810 118.518 119.300 0.047 0.000 2.435 614 C HA -0.112 4.346 4.460 -0.003 0.000 0.279 614 C C 2.979 177.988 174.990 0.031 0.000 1.321 614 C CA 0.436 59.482 59.018 0.046 0.000 1.752 614 C CB -0.926 26.867 27.740 0.089 0.000 1.959 614 C HN 0.469 nan 8.230 nan 0.000 0.500 615 R N 1.267 121.783 120.500 0.027 0.000 2.073 615 R HA -0.130 4.208 4.340 -0.003 0.000 0.234 615 R C 1.651 177.959 176.300 0.013 0.000 1.134 615 R CA 1.938 58.047 56.100 0.015 0.000 0.952 615 R CB -0.313 29.993 30.300 0.011 0.000 0.850 615 R HN 0.524 nan 8.270 nan 0.000 0.433 616 D N 0.307 120.715 120.400 0.014 0.000 2.117 616 D HA -0.121 4.517 4.640 -0.003 0.000 0.198 616 D C 1.546 177.852 176.300 0.009 0.000 0.982 616 D CA 1.394 55.401 54.000 0.011 0.000 0.828 616 D CB -0.192 40.614 40.800 0.010 0.000 0.967 616 D HN 0.379 nan 8.370 nan 0.000 0.464 617 A N 0.225 123.051 122.820 0.010 0.000 2.235 617 A HA 0.324 4.642 4.320 -0.003 0.000 0.208 617 A C 1.795 179.384 177.584 0.007 0.000 1.172 617 A CA 1.126 53.168 52.037 0.007 0.000 0.786 617 A CB -0.469 18.534 19.000 0.005 0.000 0.804 617 A HN 0.285 nan 8.150 nan 0.000 0.479 618 G N -0.906 107.900 108.800 0.009 0.000 2.160 618 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.251 618 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.251 618 G C 0.030 174.936 174.900 0.010 0.000 1.008 618 G CA 0.417 45.522 45.100 0.008 0.000 0.724 618 G HN 0.511 nan 8.290 nan 0.000 0.514 619 I N 0.031 120.610 120.570 0.015 0.000 2.353 619 I HA 0.395 4.563 4.170 -0.003 0.000 0.293 619 I C 0.838 176.972 176.117 0.029 0.000 0.992 619 I CA -0.963 60.349 61.300 0.021 0.000 1.268 619 I CB 1.413 39.427 38.000 0.023 0.000 1.387 619 I HN 0.158 nan 8.210 nan 0.000 0.478 620 R N 5.325 125.843 120.500 0.029 0.000 2.308 620 R HA 0.518 4.856 4.340 -0.003 0.000 0.305 620 R C -1.416 174.909 176.300 0.042 0.000 1.053 620 R CA -0.340 55.776 56.100 0.027 0.000 0.957 620 R CB 1.073 31.389 30.300 0.027 0.000 1.022 620 R HN 0.467 nan 8.270 nan 0.000 0.461 621 V N 7.144 127.071 119.914 0.021 0.000 2.384 621 V HA 0.363 4.480 4.120 -0.003 0.000 0.287 621 V C -0.007 176.072 176.094 -0.025 0.000 1.020 621 V CA -0.620 61.699 62.300 0.031 0.000 0.850 621 V CB 1.508 33.351 31.823 0.033 0.000 0.987 621 V HN 0.705 nan 8.190 nan 0.000 0.436 622 I N 5.629 126.213 120.570 0.023 0.000 2.354 622 I HA 0.453 4.621 4.170 -0.003 0.000 0.292 622 I C 0.029 176.158 176.117 0.019 0.000 0.989 622 I CA -0.298 61.025 61.300 0.039 0.000 1.188 622 I CB 1.594 39.675 38.000 0.136 0.000 1.342 622 I HN 0.567 nan 8.210 nan 0.000 0.457 623 M N 7.798 127.387 119.600 -0.018 0.000 2.144 623 M HA 0.512 4.990 4.480 -0.003 0.000 0.356 623 M C -1.404 174.934 176.300 0.063 0.000 1.217 623 M CA -0.173 55.111 55.300 -0.026 0.000 1.087 623 M CB 0.871 33.418 32.600 -0.088 0.000 1.609 623 M HN 0.509 nan 8.290 nan 0.000 0.467 624 I N 4.891 125.494 120.570 0.055 0.000 2.390 624 I HA 0.310 4.478 4.170 -0.003 0.000 0.283 624 I C -0.044 176.104 176.117 0.050 0.000 1.016 624 I CA -0.216 61.132 61.300 0.080 0.000 1.151 624 I CB 1.865 39.891 38.000 0.044 0.000 1.293 624 I HN 0.740 nan 8.210 nan 0.000 0.458 625 T N 2.683 117.273 114.554 0.061 0.000 2.678 625 T HA 0.632 4.980 4.350 -0.003 0.000 0.260 625 T C 0.825 175.556 174.700 0.052 0.000 0.932 625 T CA 0.048 62.175 62.100 0.044 0.000 1.043 625 T CB 1.670 70.557 68.868 0.033 0.000 1.413 625 T HN 0.610 nan 8.240 nan 0.000 0.568 626 G N -0.114 108.713 108.800 0.046 0.000 2.695 626 G HA2 0.228 4.186 3.960 -0.003 0.000 0.205 626 G HA3 0.228 4.186 3.960 -0.003 0.000 0.205 626 G C -0.219 174.714 174.900 0.055 0.000 1.068 626 G CA -0.172 44.959 45.100 0.053 0.000 0.842 626 G HN 0.631 nan 8.290 nan 0.000 0.628 627 D N 2.197 122.626 120.400 0.048 0.000 2.474 627 D HA 0.045 4.683 4.640 -0.003 0.000 0.232 627 D C 0.813 177.145 176.300 0.053 0.000 1.177 627 D CA 0.138 54.168 54.000 0.049 0.000 0.876 627 D CB 0.613 41.438 40.800 0.042 0.000 1.208 627 D HN 0.430 nan 8.370 nan 0.000 0.464 628 N N 0.461 119.194 118.700 0.055 0.000 2.267 628 N HA -0.121 4.617 4.740 -0.003 0.000 0.226 628 N C 0.654 176.188 175.510 0.040 0.000 1.314 628 N CA -0.169 52.912 53.050 0.051 0.000 0.887 628 N CB 0.584 39.102 38.487 0.051 0.000 1.120 628 N HN 0.380 nan 8.380 nan 0.000 0.440 629 K N -0.717 119.702 120.400 0.030 0.000 2.283 629 K HA -0.043 4.275 4.320 -0.003 0.000 0.202 629 K C 1.788 178.390 176.600 0.004 0.000 1.048 629 K CA 1.124 57.418 56.287 0.012 0.000 0.948 629 K CB -0.636 31.862 32.500 -0.004 0.000 0.742 629 K HN 0.730 nan 8.250 nan 0.000 0.458 630 G N -0.061 108.745 108.800 0.011 0.000 2.402 630 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.216 630 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.216 630 G C 1.496 176.408 174.900 0.020 0.000 1.162 630 G CA 1.462 46.567 45.100 0.008 0.000 0.777 630 G HN 0.508 nan 8.290 nan 0.000 0.539 631 T N -2.069 112.506 114.554 0.034 0.000 3.037 631 T HA 0.479 4.827 4.350 -0.003 0.000 0.252 631 T C 2.492 177.215 174.700 0.039 0.000 1.073 631 T CA 1.271 63.395 62.100 0.041 0.000 1.091 631 T CB 0.057 68.956 68.868 0.051 0.000 0.935 631 T HN 0.268 nan 8.240 nan 0.000 0.488 632 A N 2.095 124.938 122.820 0.038 0.000 1.883 632 A HA 0.091 4.409 4.320 -0.003 0.000 0.217 632 A C 2.312 179.932 177.584 0.059 0.000 1.186 632 A CA 1.574 53.635 52.037 0.040 0.000 0.624 632 A CB -0.934 18.090 19.000 0.039 0.000 0.822 632 A HN 0.584 nan 8.150 nan 0.000 0.444 633 I N -0.269 120.339 120.570 0.064 0.000 2.163 633 I HA -0.320 3.848 4.170 -0.003 0.000 0.243 633 I C 3.014 179.202 176.117 0.118 0.000 1.085 633 I CA 1.150 62.517 61.300 0.111 0.000 1.347 633 I CB -0.466 37.534 38.000 -0.001 0.000 1.044 633 I HN 0.382 nan 8.210 nan 0.000 0.408 634 A N 1.048 123.903 122.820 0.059 0.000 1.948 634 A HA -0.215 4.103 4.320 -0.003 0.000 0.220 634 A C 2.284 179.896 177.584 0.046 0.000 1.177 634 A CA 1.685 53.751 52.037 0.048 0.000 0.636 634 A CB -0.889 18.133 19.000 0.037 0.000 0.815 634 A HN 0.441 nan 8.150 nan 0.000 0.449 635 I N -0.894 119.698 120.570 0.037 0.000 2.394 635 I HA -0.282 3.886 4.170 -0.003 0.000 0.251 635 I C 2.410 178.523 176.117 -0.006 0.000 1.136 635 I CA 0.854 62.160 61.300 0.009 0.000 1.425 635 I CB -0.482 37.517 38.000 -0.001 0.000 1.079 635 I HN 0.389 nan 8.210 nan 0.000 0.425 636 C N 0.751 120.065 119.300 0.024 0.000 2.429 636 C HA -0.115 4.343 4.460 -0.003 0.000 0.277 636 C C 2.894 177.894 174.990 0.016 0.000 1.262 636 C CA 0.758 59.757 59.018 -0.031 0.000 1.733 636 C CB -1.129 26.618 27.740 0.010 0.000 2.010 636 C HN 0.433 nan 8.230 nan 0.000 0.483 637 R N 0.321 120.886 120.500 0.109 0.000 2.115 637 R HA -0.104 4.234 4.340 -0.003 0.000 0.230 637 R C 2.381 178.700 176.300 0.031 0.000 1.111 637 R CA 1.036 57.192 56.100 0.092 0.000 0.976 637 R CB -0.356 29.997 30.300 0.089 0.000 0.870 637 R HN 0.549 nan 8.270 nan 0.000 0.445 638 R N 1.605 122.112 120.500 0.013 0.000 2.115 638 R HA -0.056 4.282 4.340 -0.003 0.000 0.226 638 R C 2.201 178.487 176.300 -0.023 0.000 1.100 638 R CA 1.292 57.389 56.100 -0.005 0.000 0.980 638 R CB -0.048 30.247 30.300 -0.009 0.000 0.875 638 R HN 0.345 nan 8.270 nan 0.000 0.445 639 I N -4.765 115.778 120.570 -0.044 0.000 3.035 639 I HA 0.389 4.557 4.170 -0.003 0.000 0.271 639 I C 1.135 177.212 176.117 -0.067 0.000 1.190 639 I CA 0.890 62.150 61.300 -0.067 0.000 1.472 639 I CB 0.753 38.686 38.000 -0.111 0.000 1.116 639 I HN 0.291 nan 8.210 nan 0.000 0.443 640 G N 1.662 110.423 108.800 -0.066 0.000 2.318 640 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.172 640 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.172 640 G C 0.776 175.611 174.900 -0.107 0.000 1.002 640 G CA 0.169 45.234 45.100 -0.058 0.000 0.697 640 G HN 0.350 nan 8.290 nan 0.000 0.483 641 I N -0.008 120.439 120.570 -0.204 0.000 2.361 641 I HA 0.090 4.258 4.170 -0.003 0.000 0.251 641 I C 0.765 176.588 176.117 -0.491 0.000 1.133 641 I CA 1.225 62.295 61.300 -0.383 0.000 1.413 641 I CB -0.183 37.502 38.000 -0.525 0.000 1.073 641 I HN 0.102 nan 8.210 nan 0.000 0.424 642 F N -0.315 119.608 119.950 -0.044 0.000 2.593 642 F HA 0.575 5.100 4.527 -0.003 0.000 0.320 642 F C 0.762 176.541 175.800 -0.035 0.000 1.060 642 F CA -1.485 56.489 58.000 -0.043 0.000 0.940 642 F CB 0.988 39.956 39.000 -0.053 0.000 1.268 642 F HN -0.298 nan 8.300 nan 0.000 0.475 643 G N 0.702 109.626 108.800 0.206 0.000 2.444 643 G HA2 0.256 4.214 3.960 -0.003 0.000 0.268 643 G HA3 0.256 4.214 3.960 -0.003 0.000 0.268 643 G C 0.564 175.503 174.900 0.065 0.000 1.203 643 G CA -0.334 44.822 45.100 0.092 0.000 0.835 643 G HN 0.767 nan 8.290 nan 0.000 0.543 644 E N 1.284 121.507 120.200 0.039 0.000 2.086 644 E HA -0.195 4.153 4.350 -0.003 0.000 0.200 644 E C 1.463 178.065 176.600 0.004 0.000 1.012 644 E CA 1.329 57.743 56.400 0.022 0.000 0.812 644 E CB 0.118 29.826 29.700 0.012 0.000 0.743 644 E HN 0.473 nan 8.360 nan 0.000 0.453 645 N N 0.759 119.458 118.700 -0.001 0.000 2.299 645 N HA -0.028 4.710 4.740 -0.003 0.000 0.187 645 N C 0.235 175.726 175.510 -0.031 0.000 1.099 645 N CA 0.089 53.129 53.050 -0.017 0.000 0.867 645 N CB 0.289 38.767 38.487 -0.014 0.000 0.974 645 N HN 0.258 nan 8.380 nan 0.000 0.477 646 E N 1.689 121.877 120.200 -0.020 0.000 2.452 646 E HA -0.101 4.247 4.350 -0.003 0.000 0.261 646 E C -0.177 176.352 176.600 -0.119 0.000 0.987 646 E CA -0.106 56.272 56.400 -0.037 0.000 0.926 646 E CB 0.632 30.348 29.700 0.027 0.000 0.934 646 E HN -0.024 nan 8.360 nan 0.000 0.452 647 E N 2.592 122.716 120.200 -0.126 0.000 2.383 647 E HA 0.097 4.445 4.350 -0.003 0.000 0.264 647 E C -0.553 175.859 176.600 -0.314 0.000 1.050 647 E CA -0.084 56.208 56.400 -0.181 0.000 0.896 647 E CB 1.363 30.987 29.700 -0.126 0.000 0.982 647 E HN 0.296 nan 8.360 nan 0.000 0.424 648 V N 3.869 123.543 119.914 -0.400 0.000 3.261 648 V HA 0.225 4.343 4.120 -0.003 0.000 0.330 648 V C 1.210 177.040 176.094 -0.440 0.000 1.461 648 V CA 0.357 62.284 62.300 -0.623 0.000 1.127 648 V CB 0.098 31.302 31.823 -1.031 0.000 1.044 648 V HN 0.747 nan 8.190 nan 0.000 0.499 649 A N 0.506 123.146 122.820 -0.300 0.000 1.873 649 A HA -0.226 4.092 4.320 -0.003 0.000 0.218 649 A C 1.639 179.031 177.584 -0.321 0.000 1.193 649 A CA 2.449 54.332 52.037 -0.256 0.000 0.629 649 A CB -0.276 18.627 19.000 -0.163 0.000 0.826 649 A HN 0.499 nan 8.150 nan 0.000 0.447 650 D N -1.535 118.715 120.400 -0.250 0.000 2.342 650 D HA 0.170 4.808 4.640 -0.003 0.000 0.221 650 D C 1.075 177.238 176.300 -0.229 0.000 1.101 650 D CA 0.201 54.067 54.000 -0.223 0.000 0.837 650 D CB 0.173 40.955 40.800 -0.029 0.000 0.938 650 D HN 0.451 nan 8.370 nan 0.000 0.508 651 R N -0.118 120.209 120.500 -0.289 0.000 2.508 651 R HA 0.419 4.757 4.340 -0.003 0.000 0.300 651 R C 0.022 176.250 176.300 -0.121 0.000 0.970 651 R CA -0.068 55.974 56.100 -0.098 0.000 1.102 651 R CB 1.491 31.843 30.300 0.086 0.000 1.246 651 R HN -0.093 nan 8.270 nan 0.000 0.539 652 A N 0.620 123.165 122.820 -0.458 0.000 2.530 652 A HA 0.562 4.880 4.320 -0.003 0.000 0.279 652 A C -1.514 175.713 177.584 -0.595 0.000 1.109 652 A CA -0.548 51.257 52.037 -0.387 0.000 0.763 652 A CB 0.497 19.380 19.000 -0.197 0.000 1.257 652 A HN 0.113 nan 8.150 nan 0.000 0.424 653 Y N 0.068 120.151 120.300 -0.361 0.000 2.621 653 Y HA 0.784 5.332 4.550 -0.003 0.000 0.334 653 Y C 1.038 176.863 175.900 -0.126 0.000 1.074 653 Y CA -0.435 57.544 58.100 -0.202 0.000 1.149 653 Y CB 2.069 40.458 38.460 -0.118 0.000 1.302 653 Y HN 0.552 nan 8.280 nan 0.000 0.501 654 T N -0.641 114.032 114.554 0.199 0.000 2.950 654 T HA 0.380 4.728 4.350 -0.003 0.000 0.288 654 T C 1.212 176.002 174.700 0.150 0.000 1.035 654 T CA -0.007 62.173 62.100 0.134 0.000 1.028 654 T CB 1.079 70.007 68.868 0.101 0.000 1.109 654 T HN 0.867 nan 8.240 nan 0.000 0.514 655 G N 1.671 110.493 108.800 0.036 0.000 2.442 655 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.219 655 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.219 655 G C 1.550 176.481 174.900 0.051 0.000 1.141 655 G CA 1.020 46.009 45.100 -0.185 0.000 0.763 655 G HN 0.580 nan 8.290 nan 0.000 0.554 656 R N 0.934 121.510 120.500 0.127 0.000 2.062 656 R HA 0.050 4.388 4.340 -0.003 0.000 0.229 656 R C 2.463 178.858 176.300 0.159 0.000 1.128 656 R CA 1.697 57.888 56.100 0.152 0.000 0.960 656 R CB -0.688 29.682 30.300 0.117 0.000 0.855 656 R HN 0.492 nan 8.270 nan 0.000 0.432 657 E N -0.742 119.562 120.200 0.173 0.000 2.160 657 E HA -0.204 4.144 4.350 -0.003 0.000 0.195 657 E C 1.699 178.398 176.600 0.165 0.000 0.991 657 E CA 1.293 57.802 56.400 0.181 0.000 0.810 657 E CB -0.317 29.539 29.700 0.260 0.000 0.742 657 E HN 0.302 nan 8.360 nan 0.000 0.466 658 F N 2.220 122.195 119.950 0.042 0.000 2.146 658 F HA -0.150 4.375 4.527 -0.003 0.000 0.298 658 F C 1.740 177.565 175.800 0.041 0.000 1.096 658 F CA 1.383 59.373 58.000 -0.016 0.000 1.275 658 F CB 0.075 39.113 39.000 0.064 0.000 1.008 658 F HN -0.126 nan 8.300 nan 0.000 0.480 659 D N 0.170 120.666 120.400 0.161 0.000 2.144 659 D HA -0.161 4.477 4.640 -0.003 0.000 0.200 659 D C 1.507 177.798 176.300 -0.016 0.000 0.978 659 D CA 1.372 55.426 54.000 0.089 0.000 0.833 659 D CB -0.405 40.524 40.800 0.215 0.000 0.961 659 D HN 0.334 nan 8.370 nan 0.000 0.470 660 D N 0.347 120.754 120.400 0.010 0.000 2.378 660 D HA -0.010 4.628 4.640 -0.003 0.000 0.222 660 D C 0.702 176.969 176.300 -0.055 0.000 0.980 660 D CA 0.248 54.245 54.000 -0.006 0.000 0.907 660 D CB 0.145 40.959 40.800 0.025 0.000 0.899 660 D HN 0.252 nan 8.370 nan 0.000 0.527 661 L N 1.771 122.914 121.223 -0.134 0.000 2.375 661 L HA 0.290 4.628 4.340 -0.003 0.000 0.271 661 L C -2.010 174.758 176.870 -0.170 0.000 1.107 661 L CA -1.824 52.911 54.840 -0.174 0.000 0.806 661 L CB 1.066 42.947 42.059 -0.296 0.000 1.146 661 L HN -0.212 nan 8.230 nan 0.000 0.447 662 P HA 0.134 nan 4.420 nan 0.000 0.279 662 P C 0.893 178.126 177.300 -0.110 0.000 1.239 662 P CA -0.492 62.553 63.100 -0.091 0.000 0.789 662 P CB 1.086 32.751 31.700 -0.058 0.000 0.933 663 L N 1.512 122.693 121.223 -0.069 0.000 2.256 663 L HA -0.337 4.001 4.340 -0.003 0.000 0.218 663 L C 2.269 179.099 176.870 -0.068 0.000 1.089 663 L CA 2.120 56.942 54.840 -0.030 0.000 0.777 663 L CB -1.224 40.853 42.059 0.030 0.000 0.890 663 L HN 0.438 nan 8.230 nan 0.000 0.439 664 A N 0.396 123.173 122.820 -0.072 0.000 1.826 664 A HA -0.170 4.148 4.320 -0.003 0.000 0.214 664 A C 2.100 179.618 177.584 -0.111 0.000 1.212 664 A CA 1.420 53.415 52.037 -0.069 0.000 0.605 664 A CB -0.546 18.431 19.000 -0.039 0.000 0.861 664 A HN 0.335 nan 8.150 nan 0.000 0.447 665 E N -0.283 119.852 120.200 -0.108 0.000 2.267 665 E HA -0.214 4.134 4.350 -0.003 0.000 0.197 665 E C 2.094 178.570 176.600 -0.206 0.000 0.998 665 E CA 1.302 57.633 56.400 -0.115 0.000 0.830 665 E CB -0.174 29.470 29.700 -0.093 0.000 0.751 665 E HN 0.735 nan 8.360 nan 0.000 0.491 666 Q N 0.329 119.941 119.800 -0.312 0.000 2.020 666 Q HA -0.177 4.161 4.340 -0.003 0.000 0.202 666 Q C 2.267 177.940 176.000 -0.545 0.000 0.982 666 Q CA 1.470 56.972 55.803 -0.502 0.000 0.838 666 Q CB -0.005 28.399 28.738 -0.557 0.000 0.899 666 Q HN 0.135 nan 8.270 nan 0.000 0.423 667 R N 0.046 120.114 120.500 -0.719 0.000 2.148 667 R HA -0.170 4.168 4.340 -0.003 0.000 0.227 667 R C 1.836 178.044 176.300 -0.152 0.000 1.103 667 R CA 1.561 57.166 56.100 -0.825 0.000 0.983 667 R CB 0.029 30.026 30.300 -0.505 0.000 0.874 667 R HN 0.121 nan 8.270 nan 0.000 0.451 668 E N 0.376 120.539 120.200 -0.063 0.000 2.158 668 E HA 0.003 4.351 4.350 -0.003 0.000 0.191 668 E C 1.567 178.216 176.600 0.081 0.000 0.982 668 E CA 1.267 57.708 56.400 0.069 0.000 0.823 668 E CB -0.018 29.704 29.700 0.036 0.000 0.766 668 E HN 0.402 nan 8.360 nan 0.000 0.468 669 A N -0.160 122.689 122.820 0.048 0.000 1.969 669 A HA -0.140 4.178 4.320 -0.003 0.000 0.218 669 A C 2.382 180.120 177.584 0.257 0.000 1.169 669 A CA 1.267 53.394 52.037 0.149 0.000 0.635 669 A CB -0.899 18.049 19.000 -0.087 0.000 0.810 669 A HN 0.466 nan 8.150 nan 0.000 0.445 670 C N -0.272 119.179 119.300 0.252 0.000 2.437 670 C HA -0.014 4.444 4.460 -0.003 0.000 0.283 670 C C 2.541 177.677 174.990 0.243 0.000 1.424 670 C CA 0.972 60.183 59.018 0.321 0.000 1.782 670 C CB -1.383 26.560 27.740 0.339 0.000 1.833 670 C HN 0.768 nan 8.230 nan 0.000 0.532 671 R N 1.159 121.742 120.500 0.138 0.000 2.317 671 R HA 0.083 4.421 4.340 -0.003 0.000 0.208 671 R C 1.669 177.956 176.300 -0.021 0.000 0.914 671 R CA 0.581 56.636 56.100 -0.075 0.000 1.060 671 R CB -0.276 29.731 30.300 -0.488 0.000 1.015 671 R HN 0.658 nan 8.270 nan 0.000 0.498 672 R N -0.771 119.773 120.500 0.074 0.000 2.576 672 R HA 0.395 4.733 4.340 -0.003 0.000 0.237 672 R C 0.274 176.646 176.300 0.120 0.000 0.917 672 R CA 0.155 56.302 56.100 0.079 0.000 1.002 672 R CB 0.166 30.510 30.300 0.073 0.000 1.428 672 R HN 0.059 nan 8.270 nan 0.000 0.603 673 A N 0.766 123.689 122.820 0.172 0.000 2.507 673 A HA 0.273 4.591 4.320 -0.003 0.000 0.235 673 A C 0.383 178.030 177.584 0.106 0.000 1.070 673 A CA 0.211 52.327 52.037 0.130 0.000 0.768 673 A CB 0.252 19.329 19.000 0.129 0.000 1.011 673 A HN 0.570 nan 8.150 nan 0.000 0.502 674 C N -0.103 119.223 119.300 0.043 0.000 3.692 674 C HA 0.449 4.907 4.460 -0.003 0.000 0.277 674 C C -0.138 174.779 174.990 -0.121 0.000 2.095 674 C CA 0.036 59.019 59.018 -0.059 0.000 1.666 674 C CB -1.295 26.300 27.740 -0.241 0.000 3.354 674 C HN 1.062 nan 8.230 nan 0.000 0.474 675 C N 0.944 120.199 119.300 -0.075 0.000 3.135 675 C HA 0.581 5.039 4.460 -0.003 0.000 0.428 675 C C -2.016 172.853 174.990 -0.202 0.000 0.972 675 C CA -0.411 58.579 59.018 -0.046 0.000 1.218 675 C CB -0.602 27.162 27.740 0.040 0.000 1.595 675 C HN 0.389 nan 8.230 nan 0.000 0.576 676 F N 5.413 125.369 119.950 0.009 0.000 2.382 676 F HA 0.608 5.133 4.527 -0.003 0.000 0.361 676 F C 1.127 176.918 175.800 -0.015 0.000 1.109 676 F CA 0.378 58.369 58.000 -0.015 0.000 1.031 676 F CB 1.610 40.556 39.000 -0.090 0.000 1.234 676 F HN 0.955 nan 8.300 nan 0.000 0.445 677 A N 4.931 127.812 122.820 0.102 0.000 2.240 677 A HA -0.088 4.230 4.320 -0.003 0.000 0.199 677 A C 0.935 178.570 177.584 0.085 0.000 1.172 677 A CA 1.113 53.196 52.037 0.077 0.000 0.807 677 A CB -0.217 18.816 19.000 0.056 0.000 0.830 677 A HN 0.674 nan 8.150 nan 0.000 0.527 678 R N -0.560 119.987 120.500 0.078 0.000 2.272 678 R HA 0.463 4.801 4.340 -0.003 0.000 0.323 678 R C -0.984 175.353 176.300 0.062 0.000 1.002 678 R CA -0.155 55.990 56.100 0.075 0.000 0.900 678 R CB 1.385 31.734 30.300 0.081 0.000 1.151 678 R HN 0.519 nan 8.270 nan 0.000 0.507 679 V N -0.537 119.419 119.914 0.070 0.000 3.046 679 V HA 0.619 4.737 4.120 -0.003 0.000 0.316 679 V C 0.111 176.336 176.094 0.219 0.000 1.104 679 V CA -0.902 61.472 62.300 0.122 0.000 1.006 679 V CB 2.006 33.820 31.823 -0.014 0.000 1.058 679 V HN 0.778 nan 8.190 nan 0.000 0.440 680 E N 2.263 122.686 120.200 0.371 0.000 2.678 680 E HA 0.586 4.934 4.350 -0.003 0.000 0.204 680 E C -2.033 174.586 176.600 0.032 0.000 0.743 680 E CA -1.163 55.310 56.400 0.121 0.000 1.082 680 E CB 0.459 30.193 29.700 0.057 0.000 1.721 680 E HN 0.425 nan 8.360 nan 0.000 0.390 681 P HA -0.139 nan 4.420 nan 0.000 0.219 681 P C 1.688 178.928 177.300 -0.100 0.000 1.154 681 P CA 1.372 64.433 63.100 -0.064 0.000 0.826 681 P CB 0.142 31.796 31.700 -0.078 0.000 0.795 682 S N 0.430 116.028 115.700 -0.170 0.000 2.389 682 S HA -0.287 4.181 4.470 -0.003 0.000 0.229 682 S C 1.955 176.438 174.600 -0.195 0.000 1.048 682 S CA 2.134 60.199 58.200 -0.226 0.000 1.117 682 S CB -1.422 61.557 63.200 -0.368 0.000 1.020 682 S HN 0.284 nan 8.310 nan 0.000 0.430 683 H N 0.801 119.852 119.070 -0.032 0.000 2.289 683 H HA -0.020 4.534 4.556 -0.003 0.000 0.296 683 H C 2.451 177.667 175.328 -0.187 0.000 1.091 683 H CA 1.909 57.896 56.048 -0.103 0.000 1.274 683 H CB -0.183 29.481 29.762 -0.163 0.000 1.364 683 H HN 0.382 nan 8.280 nan 0.000 0.490 684 K N 0.230 120.601 120.400 -0.048 0.000 2.113 684 K HA -0.144 4.174 4.320 -0.003 0.000 0.208 684 K C 2.365 178.912 176.600 -0.088 0.000 1.047 684 K CA 1.571 57.801 56.287 -0.095 0.000 0.928 684 K CB -0.038 32.423 32.500 -0.064 0.000 0.716 684 K HN 0.153 nan 8.250 nan 0.000 0.446 685 S N 0.447 116.102 115.700 -0.076 0.000 2.414 685 S HA -0.032 4.436 4.470 -0.003 0.000 0.227 685 S C 1.572 176.115 174.600 -0.096 0.000 1.022 685 S CA 0.925 59.078 58.200 -0.078 0.000 0.958 685 S CB 0.110 63.264 63.200 -0.077 0.000 0.797 685 S HN 0.259 nan 8.310 nan 0.000 0.493 686 K N 1.054 121.405 120.400 -0.082 0.000 2.031 686 K HA 0.112 4.430 4.320 -0.003 0.000 0.205 686 K C 1.842 178.382 176.600 -0.100 0.000 1.049 686 K CA 1.037 57.251 56.287 -0.122 0.000 0.939 686 K CB -0.265 32.279 32.500 0.074 0.000 0.717 686 K HN 0.269 nan 8.250 nan 0.000 0.438 687 I N 0.867 121.428 120.570 -0.015 0.000 2.335 687 I HA -0.277 3.891 4.170 -0.003 0.000 0.251 687 I C 2.095 178.236 176.117 0.040 0.000 1.129 687 I CA 0.909 62.228 61.300 0.032 0.000 1.402 687 I CB -0.170 37.675 38.000 -0.257 0.000 1.069 687 I HN -0.041 nan 8.210 nan 0.000 0.424 688 V N 0.507 120.404 119.914 -0.030 0.000 2.307 688 V HA -0.270 3.848 4.120 -0.003 0.000 0.245 688 V C 2.332 178.417 176.094 -0.015 0.000 1.045 688 V CA 1.886 64.178 62.300 -0.014 0.000 1.024 688 V CB -0.534 31.267 31.823 -0.036 0.000 0.651 688 V HN 0.426 nan 8.190 nan 0.000 0.449 689 E N -1.009 119.135 120.200 -0.094 0.000 2.110 689 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 689 E C 2.161 178.708 176.600 -0.088 0.000 0.988 689 E CA 1.571 57.885 56.400 -0.145 0.000 0.804 689 E CB -0.162 29.372 29.700 -0.277 0.000 0.745 689 E HN 0.681 nan 8.360 nan 0.000 0.458 690 Y N 0.365 120.678 120.300 0.020 0.000 2.220 690 Y HA -0.081 4.467 4.550 -0.003 0.000 0.291 690 Y C 2.073 178.014 175.900 0.068 0.000 1.129 690 Y CA 0.639 58.750 58.100 0.018 0.000 1.161 690 Y CB -0.345 38.185 38.460 0.118 0.000 0.997 690 Y HN 0.016 nan 8.280 nan 0.000 0.522 691 L N -0.325 121.071 121.223 0.289 0.000 2.275 691 L HA -0.230 4.108 4.340 -0.003 0.000 0.215 691 L C 2.063 179.045 176.870 0.188 0.000 1.119 691 L CA 1.279 56.278 54.840 0.266 0.000 0.790 691 L CB -0.420 41.743 42.059 0.174 0.000 0.919 691 L HN 0.344 nan 8.230 nan 0.000 0.443 692 Q N -0.758 119.104 119.800 0.103 0.000 2.269 692 Q HA -0.095 4.243 4.340 -0.003 0.000 0.201 692 Q C 2.341 178.357 176.000 0.027 0.000 0.946 692 Q CA 1.368 57.203 55.803 0.053 0.000 0.877 692 Q CB 0.106 28.851 28.738 0.011 0.000 0.963 692 Q HN 0.545 nan 8.270 nan 0.000 0.472 693 S N -0.484 115.199 115.700 -0.028 0.000 2.507 693 S HA -0.105 4.363 4.470 -0.003 0.000 0.235 693 S C 0.940 175.433 174.600 -0.179 0.000 0.988 693 S CA 0.582 58.701 58.200 -0.134 0.000 0.944 693 S CB -0.138 62.932 63.200 -0.215 0.000 0.762 693 S HN 0.333 nan 8.310 nan 0.000 0.526 694 Y N 1.975 122.319 120.300 0.073 0.000 2.625 694 Y HA 0.311 4.859 4.550 -0.003 0.000 0.285 694 Y C 0.104 176.029 175.900 0.042 0.000 1.168 694 Y CA -1.421 56.713 58.100 0.057 0.000 1.250 694 Y CB -0.466 38.032 38.460 0.063 0.000 1.130 694 Y HN 0.153 nan 8.280 nan 0.000 0.526 695 D N 1.241 121.728 120.400 0.144 0.000 2.686 695 D HA -0.237 4.401 4.640 -0.003 0.000 0.235 695 D C -0.222 176.131 176.300 0.089 0.000 1.160 695 D CA 0.894 54.948 54.000 0.090 0.000 0.645 695 D CB -0.670 40.172 40.800 0.070 0.000 1.039 695 D HN 0.526 nan 8.370 nan 0.000 0.423 696 E N -0.235 120.029 120.200 0.105 0.000 2.214 696 E HA 0.390 4.738 4.350 -0.003 0.000 0.274 696 E C 0.479 177.110 176.600 0.052 0.000 0.977 696 E CA -0.906 55.544 56.400 0.083 0.000 0.827 696 E CB 1.355 31.124 29.700 0.115 0.000 1.130 696 E HN 0.025 nan 8.360 nan 0.000 0.394 697 I N 2.789 123.377 120.570 0.030 0.000 2.291 697 I HA 0.103 4.271 4.170 -0.003 0.000 0.290 697 I C 0.453 176.580 176.117 0.017 0.000 1.050 697 I CA 0.040 61.347 61.300 0.012 0.000 1.245 697 I CB 0.274 38.268 38.000 -0.010 0.000 1.405 697 I HN 0.376 nan 8.210 nan 0.000 0.478 698 T N 5.205 119.771 114.554 0.020 0.000 2.855 698 T HA 0.813 5.161 4.350 -0.003 0.000 0.281 698 T C -0.357 174.351 174.700 0.012 0.000 1.007 698 T CA -0.500 61.615 62.100 0.024 0.000 1.009 698 T CB 1.516 70.406 68.868 0.036 0.000 0.983 698 T HN 0.658 nan 8.240 nan 0.000 0.455 699 A N 4.313 127.142 122.820 0.016 0.000 2.324 699 A HA 0.850 5.168 4.320 -0.003 0.000 0.330 699 A C -0.489 177.107 177.584 0.020 0.000 1.165 699 A CA -0.862 51.181 52.037 0.010 0.000 0.813 699 A CB 1.089 20.092 19.000 0.005 0.000 1.197 699 A HN 0.876 nan 8.150 nan 0.000 0.484 700 M N 1.966 121.573 119.600 0.013 0.000 2.386 700 M HA 0.525 5.003 4.480 -0.003 0.000 0.293 700 M C -0.225 176.084 176.300 0.015 0.000 1.120 700 M CA -0.068 55.239 55.300 0.013 0.000 0.909 700 M CB 2.230 34.829 32.600 -0.003 0.000 1.661 700 M HN 0.817 nan 8.290 nan 0.000 0.452 701 T N 1.117 115.685 114.554 0.024 0.000 2.925 701 T HA 1.017 5.365 4.350 -0.003 0.000 0.285 701 T C -0.004 174.704 174.700 0.014 0.000 1.021 701 T CA -0.268 61.847 62.100 0.026 0.000 1.042 701 T CB 1.629 70.526 68.868 0.048 0.000 1.037 701 T HN 1.045 nan 8.240 nan 0.000 0.481 702 G N 0.570 109.377 108.800 0.011 0.000 2.559 702 G HA2 0.551 4.509 3.960 -0.003 0.000 0.291 702 G HA3 0.551 4.509 3.960 -0.003 0.000 0.291 702 G C -1.071 173.833 174.900 0.007 0.000 1.424 702 G CA -0.318 44.784 45.100 0.005 0.000 0.786 702 G HN 0.715 nan 8.290 nan 0.000 0.485 703 D N -1.863 118.539 120.400 0.003 0.000 2.042 703 D HA 0.189 4.827 4.640 -0.003 0.000 0.351 703 D C 1.255 177.557 176.300 0.003 0.000 1.053 703 D CA 0.802 54.806 54.000 0.008 0.000 0.903 703 D CB -0.379 40.428 40.800 0.011 0.000 1.749 703 D HN 0.869 nan 8.370 nan 0.000 0.537 704 G N 0.705 109.498 108.800 -0.012 0.000 2.599 704 G HA2 0.344 4.302 3.960 -0.003 0.000 0.264 704 G HA3 0.344 4.302 3.960 -0.003 0.000 0.264 704 G C 0.853 175.733 174.900 -0.034 0.000 1.200 704 G CA 0.017 45.099 45.100 -0.030 0.000 0.896 704 G HN 0.152 nan 8.290 nan 0.000 0.536 705 V N 0.580 120.456 119.914 -0.064 0.000 2.970 705 V HA -0.100 4.018 4.120 -0.003 0.000 0.260 705 V C 2.201 178.254 176.094 -0.069 0.000 1.100 705 V CA 2.063 64.328 62.300 -0.058 0.000 1.122 705 V CB -0.766 30.982 31.823 -0.125 0.000 0.721 705 V HN 0.785 nan 8.190 nan 0.000 0.483 706 N N -0.472 118.175 118.700 -0.087 0.000 2.457 706 N HA -0.077 4.661 4.740 -0.003 0.000 0.180 706 N C 1.104 176.576 175.510 -0.062 0.000 1.050 706 N CA 1.263 54.260 53.050 -0.088 0.000 0.906 706 N CB -0.445 37.977 38.487 -0.108 0.000 0.968 706 N HN 0.456 nan 8.380 nan 0.000 0.445 707 D N 0.200 120.573 120.400 -0.046 0.000 2.348 707 D HA 0.177 4.815 4.640 -0.003 0.000 0.211 707 D C 1.716 178.000 176.300 -0.027 0.000 0.998 707 D CA 0.419 54.399 54.000 -0.033 0.000 0.873 707 D CB 0.046 40.833 40.800 -0.022 0.000 0.925 707 D HN 0.348 nan 8.370 nan 0.000 0.524 708 A N 2.615 125.420 122.820 -0.025 0.000 1.859 708 A HA -0.150 4.168 4.320 -0.003 0.000 0.217 708 A C -0.064 177.507 177.584 -0.022 0.000 1.198 708 A CA 1.552 53.579 52.037 -0.016 0.000 0.629 708 A CB -1.640 17.355 19.000 -0.008 0.000 0.830 708 A HN 0.197 nan 8.150 nan 0.000 0.446 709 P HA -0.154 nan 4.420 nan 0.000 0.218 709 P C 1.454 178.734 177.300 -0.035 0.000 1.148 709 P CA 2.022 65.102 63.100 -0.032 0.000 0.822 709 P CB -0.143 31.533 31.700 -0.039 0.000 0.784 710 A N -0.095 122.703 122.820 -0.037 0.000 1.930 710 A HA -0.028 4.290 4.320 -0.003 0.000 0.215 710 A C 2.424 179.991 177.584 -0.028 0.000 1.176 710 A CA 0.838 52.853 52.037 -0.038 0.000 0.632 710 A CB -1.383 17.592 19.000 -0.042 0.000 0.819 710 A HN 0.111 nan 8.150 nan 0.000 0.445 711 L N -0.968 120.242 121.223 -0.022 0.000 2.141 711 L HA -0.117 4.221 4.340 -0.003 0.000 0.209 711 L C 2.546 179.406 176.870 -0.017 0.000 1.094 711 L CA 1.521 56.351 54.840 -0.016 0.000 0.763 711 L CB -0.340 41.712 42.059 -0.012 0.000 0.908 711 L HN 0.374 nan 8.230 nan 0.000 0.437 712 K N 0.406 120.794 120.400 -0.019 0.000 2.103 712 K HA -0.178 4.140 4.320 -0.003 0.000 0.204 712 K C 2.217 178.804 176.600 -0.021 0.000 1.052 712 K CA 1.007 57.282 56.287 -0.019 0.000 0.945 712 K CB 0.141 32.630 32.500 -0.019 0.000 0.722 712 K HN 0.066 nan 8.250 nan 0.000 0.443 713 K N 0.368 120.753 120.400 -0.025 0.000 2.155 713 K HA 0.024 4.342 4.320 -0.003 0.000 0.203 713 K C 0.215 176.801 176.600 -0.023 0.000 1.052 713 K CA 0.516 56.786 56.287 -0.028 0.000 0.948 713 K CB 0.035 32.512 32.500 -0.038 0.000 0.728 713 K HN 0.125 nan 8.250 nan 0.000 0.448 714 A N 1.337 124.145 122.820 -0.020 0.000 2.425 714 A HA 0.034 4.352 4.320 -0.003 0.000 0.242 714 A C 0.561 178.138 177.584 -0.012 0.000 1.077 714 A CA -0.222 51.807 52.037 -0.013 0.000 0.781 714 A CB 0.420 19.414 19.000 -0.010 0.000 1.020 714 A HN 0.323 nan 8.150 nan 0.000 0.494 715 E N 0.174 120.369 120.200 -0.008 0.000 2.085 715 E HA -0.129 4.219 4.350 -0.003 0.000 0.194 715 E C -0.265 176.327 176.600 -0.014 0.000 0.994 715 E CA 1.707 58.100 56.400 -0.011 0.000 0.801 715 E CB -0.244 29.450 29.700 -0.010 0.000 0.743 715 E HN 0.617 nan 8.360 nan 0.000 0.453 716 I N -0.361 120.202 120.570 -0.013 0.000 2.476 716 I HA 0.345 4.513 4.170 -0.003 0.000 0.281 716 I C 0.112 176.222 176.117 -0.011 0.000 1.040 716 I CA -0.611 60.680 61.300 -0.014 0.000 1.094 716 I CB 2.042 40.031 38.000 -0.018 0.000 1.219 716 I HN -0.134 nan 8.210 nan 0.000 0.450 717 G N 6.514 115.307 108.800 -0.011 0.000 2.339 717 G HA2 0.676 4.634 3.960 -0.003 0.000 0.287 717 G HA3 0.676 4.634 3.960 -0.003 0.000 0.287 717 G C -0.358 174.537 174.900 -0.008 0.000 1.163 717 G CA -0.347 44.748 45.100 -0.009 0.000 0.872 717 G HN 0.546 nan 8.290 nan 0.000 0.464 718 I N 2.638 123.206 120.570 -0.004 0.000 2.337 718 I HA 0.368 4.536 4.170 -0.003 0.000 0.285 718 I C 0.782 176.900 176.117 0.003 0.000 1.041 718 I CA -0.477 60.821 61.300 -0.004 0.000 1.199 718 I CB 1.423 39.420 38.000 -0.005 0.000 1.370 718 I HN 0.517 nan 8.210 nan 0.000 0.470 719 A N 7.589 130.410 122.820 0.001 0.000 2.322 719 A HA 0.723 5.041 4.320 -0.003 0.000 0.269 719 A C 0.089 177.679 177.584 0.008 0.000 1.094 719 A CA -0.563 51.477 52.037 0.006 0.000 0.807 719 A CB 0.570 19.573 19.000 0.004 0.000 1.047 719 A HN 0.573 nan 8.150 nan 0.000 0.487 720 M N 1.917 121.525 119.600 0.013 0.000 2.211 720 M HA 0.189 4.667 4.480 -0.003 0.000 0.356 720 M C 1.511 177.818 176.300 0.013 0.000 1.216 720 M CA -0.145 55.164 55.300 0.016 0.000 1.134 720 M CB 0.475 33.087 32.600 0.020 0.000 1.564 720 M HN 0.877 nan 8.290 nan 0.000 0.463 721 G N 1.311 110.117 108.800 0.011 0.000 2.559 721 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.216 721 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.216 721 G C 1.133 176.040 174.900 0.012 0.000 1.126 721 G CA 0.978 46.083 45.100 0.009 0.000 0.778 721 G HN 0.759 nan 8.290 nan 0.000 0.543 722 S N -0.812 114.897 115.700 0.016 0.000 2.523 722 S HA 0.429 4.897 4.470 -0.003 0.000 0.217 722 S C 1.296 175.909 174.600 0.021 0.000 0.996 722 S CA 0.217 58.428 58.200 0.018 0.000 0.921 722 S CB 0.590 63.802 63.200 0.020 0.000 0.829 722 S HN 0.404 nan 8.310 nan 0.000 0.495 723 G N 2.081 110.893 108.800 0.021 0.000 2.563 723 G HA2 0.432 4.390 3.960 -0.003 0.000 0.283 723 G HA3 0.432 4.390 3.960 -0.003 0.000 0.283 723 G C 0.249 175.168 174.900 0.032 0.000 1.309 723 G CA -0.008 45.106 45.100 0.024 0.000 1.022 723 G HN 0.483 nan 8.290 nan 0.000 0.501 724 T N -2.956 111.623 114.554 0.042 0.000 2.724 724 T HA 0.317 4.664 4.350 -0.003 0.000 0.324 724 T C 1.522 176.259 174.700 0.061 0.000 1.071 724 T CA 0.637 62.781 62.100 0.073 0.000 1.061 724 T CB 0.943 69.874 68.868 0.106 0.000 0.990 724 T HN 1.018 nan 8.240 nan 0.000 0.543 725 A N 0.916 123.779 122.820 0.071 0.000 2.132 725 A HA 0.286 4.604 4.320 -0.003 0.000 0.213 725 A C 2.274 179.881 177.584 0.039 0.000 1.154 725 A CA 0.472 52.529 52.037 0.034 0.000 0.753 725 A CB -0.498 18.505 19.000 0.005 0.000 0.826 725 A HN 0.703 nan 8.150 nan 0.000 0.469 726 V N -0.236 119.730 119.914 0.087 0.000 2.379 726 V HA -0.170 3.948 4.120 -0.003 0.000 0.245 726 V C 3.015 179.137 176.094 0.048 0.000 1.044 726 V CA 1.716 64.066 62.300 0.085 0.000 1.036 726 V CB -0.886 31.041 31.823 0.173 0.000 0.664 726 V HN 0.568 nan 8.190 nan 0.000 0.453 727 A N 0.042 122.888 122.820 0.043 0.000 1.877 727 A HA -0.259 4.059 4.320 -0.003 0.000 0.216 727 A C 2.261 179.852 177.584 0.012 0.000 1.186 727 A CA 2.075 54.124 52.037 0.021 0.000 0.620 727 A CB -0.459 18.551 19.000 0.017 0.000 0.822 727 A HN 0.535 nan 8.150 nan 0.000 0.443 728 K N -0.593 119.814 120.400 0.013 0.000 2.063 728 K HA -0.139 4.179 4.320 -0.003 0.000 0.208 728 K C 2.096 178.694 176.600 -0.003 0.000 1.048 728 K CA 1.850 58.139 56.287 0.003 0.000 0.928 728 K CB -0.451 32.050 32.500 0.003 0.000 0.713 728 K HN 0.735 nan 8.250 nan 0.000 0.442 729 T N -1.848 112.705 114.554 -0.003 0.000 3.085 729 T HA 0.102 4.450 4.350 -0.003 0.000 0.263 729 T C 1.626 176.320 174.700 -0.010 0.000 1.127 729 T CA 0.717 62.810 62.100 -0.011 0.000 1.103 729 T CB 0.161 69.020 68.868 -0.014 0.000 0.921 729 T HN 0.139 nan 8.240 nan 0.000 0.510 730 A N 1.214 124.031 122.820 -0.005 0.000 2.348 730 A HA 0.520 4.838 4.320 -0.003 0.000 0.224 730 A C 1.299 178.877 177.584 -0.010 0.000 1.227 730 A CA 0.029 52.062 52.037 -0.008 0.000 0.885 730 A CB -0.053 18.944 19.000 -0.004 0.000 0.933 730 A HN 0.628 nan 8.150 nan 0.000 0.506 731 S N -1.019 114.675 115.700 -0.010 0.000 2.549 731 S HA 0.515 4.983 4.470 -0.003 0.000 0.297 731 S C 0.252 174.844 174.600 -0.013 0.000 1.115 731 S CA -0.380 57.813 58.200 -0.011 0.000 1.059 731 S CB 1.587 64.782 63.200 -0.007 0.000 1.046 731 S HN 0.121 nan 8.310 nan 0.000 0.506 732 E N 0.983 121.175 120.200 -0.014 0.000 2.107 732 E HA 0.173 4.521 4.350 -0.003 0.000 0.191 732 E C 0.566 177.157 176.600 -0.015 0.000 0.982 732 E CA 0.987 57.378 56.400 -0.016 0.000 0.809 732 E CB 0.031 29.721 29.700 -0.016 0.000 0.756 732 E HN 0.763 nan 8.360 nan 0.000 0.459 733 M N -0.368 119.223 119.600 -0.015 0.000 2.593 733 M HA 0.474 4.952 4.480 -0.003 0.000 0.290 733 M C -1.725 174.568 176.300 -0.013 0.000 1.244 733 M CA -0.889 54.401 55.300 -0.015 0.000 0.857 733 M CB 2.126 34.714 32.600 -0.020 0.000 1.738 733 M HN -0.260 nan 8.290 nan 0.000 0.461 734 V N 4.015 123.922 119.914 -0.012 0.000 2.525 734 V HA 0.382 4.500 4.120 -0.003 0.000 0.299 734 V C -0.472 175.617 176.094 -0.009 0.000 1.034 734 V CA -0.703 61.592 62.300 -0.008 0.000 0.863 734 V CB 1.704 33.524 31.823 -0.006 0.000 0.999 734 V HN 0.797 nan 8.190 nan 0.000 0.423 735 L N 4.235 125.455 121.223 -0.006 0.000 2.433 735 L HA 0.275 4.613 4.340 -0.003 0.000 0.284 735 L C 1.760 178.630 176.870 0.000 0.000 1.120 735 L CA -0.054 54.782 54.840 -0.006 0.000 0.879 735 L CB 0.804 42.863 42.059 -0.001 0.000 1.232 735 L HN 0.870 nan 8.230 nan 0.000 0.454 736 A N 3.231 126.050 122.820 -0.003 0.000 1.948 736 A HA -0.196 4.122 4.320 -0.003 0.000 0.220 736 A C 1.495 179.082 177.584 0.005 0.000 1.177 736 A CA 1.920 53.957 52.037 0.001 0.000 0.636 736 A CB -0.273 18.726 19.000 -0.002 0.000 0.815 736 A HN 0.873 nan 8.150 nan 0.000 0.449 737 D N -2.030 118.374 120.400 0.006 0.000 2.463 737 D HA 0.092 4.730 4.640 -0.003 0.000 0.224 737 D C -0.526 175.786 176.300 0.020 0.000 1.174 737 D CA 0.362 54.369 54.000 0.011 0.000 0.829 737 D CB -0.435 40.371 40.800 0.009 0.000 0.993 737 D HN 0.270 nan 8.370 nan 0.000 0.497 738 D N 0.253 120.666 120.400 0.021 0.000 3.027 738 D HA -0.224 4.414 4.640 -0.003 0.000 0.224 738 D C -0.134 176.196 176.300 0.050 0.000 1.193 738 D CA 0.754 54.774 54.000 0.033 0.000 0.858 738 D CB -1.373 39.446 40.800 0.033 0.000 1.104 738 D HN 0.399 nan 8.370 nan 0.000 0.406 739 N N -0.193 118.534 118.700 0.044 0.000 2.422 739 N HA 0.088 4.826 4.740 -0.003 0.000 0.264 739 N C 0.755 176.321 175.510 0.093 0.000 1.063 739 N CA -0.273 52.819 53.050 0.070 0.000 0.959 739 N CB 0.365 38.880 38.487 0.046 0.000 1.087 739 N HN -0.008 nan 8.380 nan 0.000 0.483 740 F N 3.637 123.583 119.950 -0.006 0.000 2.202 740 F HA -0.231 4.293 4.527 -0.003 0.000 0.301 740 F C 2.281 178.076 175.800 -0.008 0.000 1.082 740 F CA 1.795 59.791 58.000 -0.008 0.000 1.313 740 F CB -0.066 38.928 39.000 -0.010 0.000 1.024 740 F HN 0.595 nan 8.300 nan 0.000 0.495 741 S N -1.669 114.075 115.700 0.072 0.000 2.474 741 S HA -0.154 4.314 4.470 -0.003 0.000 0.235 741 S C 1.797 176.315 174.600 -0.136 0.000 0.997 741 S CA 1.392 59.567 58.200 -0.041 0.000 0.949 741 S CB -1.045 62.191 63.200 0.059 0.000 0.766 741 S HN 0.434 nan 8.310 nan 0.000 0.517 742 T N 2.481 116.967 114.554 -0.114 0.000 2.942 742 T HA 0.223 4.571 4.350 -0.003 0.000 0.265 742 T C 1.600 176.207 174.700 -0.155 0.000 1.062 742 T CA 1.070 63.110 62.100 -0.100 0.000 1.139 742 T CB -0.360 68.476 68.868 -0.054 0.000 0.883 742 T HN 0.440 nan 8.240 nan 0.000 0.468 743 I N 0.920 121.336 120.570 -0.256 0.000 2.113 743 I HA -0.150 4.018 4.170 -0.003 0.000 0.238 743 I C 2.408 178.362 176.117 -0.272 0.000 1.070 743 I CA 1.049 62.186 61.300 -0.272 0.000 1.332 743 I CB -0.622 37.148 38.000 -0.383 0.000 1.044 743 I HN 0.056 nan 8.210 nan 0.000 0.402 744 V N 1.338 121.017 119.914 -0.392 0.000 2.568 744 V HA -0.295 3.823 4.120 -0.003 0.000 0.253 744 V C 2.605 178.615 176.094 -0.140 0.000 1.072 744 V CA 1.900 64.046 62.300 -0.257 0.000 1.084 744 V CB -1.177 30.489 31.823 -0.261 0.000 0.676 744 V HN 0.528 nan 8.190 nan 0.000 0.469 745 A N -0.462 122.283 122.820 -0.125 0.000 2.066 745 A HA 0.205 4.523 4.320 -0.003 0.000 0.218 745 A C 2.257 179.804 177.584 -0.062 0.000 1.157 745 A CA 1.462 53.455 52.037 -0.073 0.000 0.670 745 A CB -0.320 18.645 19.000 -0.059 0.000 0.804 745 A HN 0.557 nan 8.150 nan 0.000 0.453 746 A N -0.969 121.804 122.820 -0.079 0.000 2.095 746 A HA 0.293 4.611 4.320 -0.003 0.000 0.212 746 A C 1.825 179.377 177.584 -0.053 0.000 1.162 746 A CA 0.978 52.979 52.037 -0.059 0.000 0.753 746 A CB -0.193 18.769 19.000 -0.064 0.000 0.840 746 A HN 0.275 nan 8.150 nan 0.000 0.468 747 V N -0.003 119.869 119.914 -0.070 0.000 3.041 747 V HA -0.126 3.992 4.120 -0.003 0.000 0.260 747 V C 2.211 178.285 176.094 -0.034 0.000 1.105 747 V CA 1.899 64.166 62.300 -0.055 0.000 1.125 747 V CB -0.232 31.551 31.823 -0.068 0.000 0.730 747 V HN 0.742 nan 8.190 nan 0.000 0.479 748 E N -0.051 120.129 120.200 -0.034 0.000 2.086 748 E HA -0.142 4.206 4.350 -0.003 0.000 0.190 748 E C 2.191 178.790 176.600 -0.001 0.000 0.975 748 E CA 0.551 56.942 56.400 -0.016 0.000 0.813 748 E CB 0.132 29.821 29.700 -0.018 0.000 0.768 748 E HN 0.454 nan 8.360 nan 0.000 0.457 749 E N 0.032 120.229 120.200 -0.005 0.000 2.110 749 E HA -0.127 4.221 4.350 -0.003 0.000 0.193 749 E C 1.995 178.608 176.600 0.022 0.000 0.988 749 E CA 1.054 57.459 56.400 0.007 0.000 0.804 749 E CB -0.375 29.325 29.700 -0.000 0.000 0.745 749 E HN 0.410 nan 8.360 nan 0.000 0.458 750 G N 1.027 109.835 108.800 0.013 0.000 2.432 750 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.219 750 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.219 750 G C 1.710 176.643 174.900 0.055 0.000 1.135 750 G CA 0.386 45.502 45.100 0.026 0.000 0.767 750 G HN 0.182 nan 8.290 nan 0.000 0.550 751 R N 0.155 120.681 120.500 0.043 0.000 2.119 751 R HA 0.175 4.513 4.340 -0.003 0.000 0.222 751 R C 2.983 179.334 176.300 0.086 0.000 1.088 751 R CA 0.844 56.985 56.100 0.068 0.000 0.984 751 R CB -0.191 30.131 30.300 0.037 0.000 0.884 751 R HN 0.348 nan 8.270 nan 0.000 0.447 752 A N 1.568 124.422 122.820 0.057 0.000 1.872 752 A HA -0.103 4.215 4.320 -0.003 0.000 0.214 752 A C 2.060 179.675 177.584 0.051 0.000 1.187 752 A CA 0.922 52.987 52.037 0.047 0.000 0.614 752 A CB -0.293 18.728 19.000 0.036 0.000 0.826 752 A HN 0.042 nan 8.150 nan 0.000 0.442 753 I N -1.402 119.206 120.570 0.065 0.000 2.127 753 I HA -0.253 3.915 4.170 -0.003 0.000 0.241 753 I C 2.457 178.602 176.117 0.047 0.000 1.075 753 I CA 1.862 63.204 61.300 0.070 0.000 1.334 753 I CB -1.499 36.550 38.000 0.083 0.000 1.040 753 I HN 0.554 nan 8.210 nan 0.000 0.405 754 Y N 2.211 122.488 120.300 -0.037 0.000 2.274 754 Y HA -0.238 4.310 4.550 -0.003 0.000 0.290 754 Y C 2.360 178.203 175.900 -0.096 0.000 1.145 754 Y CA 1.658 59.715 58.100 -0.071 0.000 1.203 754 Y CB -0.320 38.109 38.460 -0.051 0.000 0.984 754 Y HN 0.222 nan 8.280 nan 0.000 0.533 755 N N 0.288 118.938 118.700 -0.082 0.000 2.106 755 N HA -0.171 4.567 4.740 -0.003 0.000 0.188 755 N C 1.425 176.796 175.510 -0.233 0.000 1.029 755 N CA 1.508 54.468 53.050 -0.150 0.000 0.848 755 N CB -0.457 38.016 38.487 -0.023 0.000 1.007 755 N HN 0.337 nan 8.380 nan 0.000 0.423 756 N N 0.531 119.133 118.700 -0.164 0.000 2.080 756 N HA -0.106 4.632 4.740 -0.003 0.000 0.189 756 N C 1.659 176.937 175.510 -0.386 0.000 1.036 756 N CA 0.710 53.672 53.050 -0.146 0.000 0.846 756 N CB -0.394 38.093 38.487 0.000 0.000 1.015 756 N HN 0.315 nan 8.380 nan 0.000 0.423 757 M N 0.580 119.866 119.600 -0.524 0.000 2.346 757 M HA -0.139 4.339 4.480 -0.003 0.000 0.263 757 M C 1.770 177.335 176.300 -1.225 0.000 1.064 757 M CA 1.487 56.087 55.300 -1.166 0.000 1.083 757 M CB 0.124 32.418 32.600 -0.510 0.000 1.399 757 M HN 0.001 nan 8.290 nan 0.000 0.435 758 K N -0.540 119.351 120.400 -0.847 0.000 2.116 758 K HA -0.124 4.194 4.320 -0.003 0.000 0.203 758 K C 2.021 178.345 176.600 -0.459 0.000 1.052 758 K CA 0.945 56.812 56.287 -0.700 0.000 0.952 758 K CB 0.157 32.249 32.500 -0.680 0.000 0.729 758 K HN 0.359 nan 8.250 nan 0.000 0.446 759 Q N 0.197 119.768 119.800 -0.382 0.000 1.994 759 Q HA -0.139 4.199 4.340 -0.003 0.000 0.198 759 Q C 2.045 177.990 176.000 -0.093 0.000 0.976 759 Q CA 1.543 57.240 55.803 -0.177 0.000 0.828 759 Q CB -0.565 28.110 28.738 -0.104 0.000 0.894 759 Q HN 0.476 nan 8.270 nan 0.000 0.432 760 F N -0.335 119.579 119.950 -0.060 0.000 2.373 760 F HA -0.051 4.474 4.527 -0.003 0.000 0.300 760 F C 1.804 177.602 175.800 -0.003 0.000 1.080 760 F CA 0.508 58.513 58.000 0.007 0.000 1.417 760 F CB -0.871 38.106 39.000 -0.039 0.000 1.070 760 F HN -0.037 nan 8.300 nan 0.000 0.546 761 I N 0.454 120.976 120.570 -0.081 0.000 2.333 761 I HA -0.137 4.031 4.170 -0.003 0.000 0.246 761 I C 2.558 178.600 176.117 -0.125 0.000 1.106 761 I CA 0.827 62.094 61.300 -0.056 0.000 1.411 761 I CB -0.356 37.500 38.000 -0.240 0.000 1.082 761 I HN 0.038 nan 8.210 nan 0.000 0.420 762 R N -0.198 120.214 120.500 -0.146 0.000 2.096 762 R HA -0.215 4.123 4.340 -0.003 0.000 0.235 762 R C 2.320 178.453 176.300 -0.279 0.000 1.127 762 R CA 1.621 57.583 56.100 -0.230 0.000 0.968 762 R CB -0.653 29.602 30.300 -0.075 0.000 0.861 762 R HN 0.323 nan 8.270 nan 0.000 0.440 763 Y N 1.964 122.149 120.300 -0.191 0.000 2.034 763 Y HA -0.234 4.314 4.550 -0.003 0.000 0.269 763 Y C 1.945 177.742 175.900 -0.173 0.000 1.125 763 Y CA 1.489 59.503 58.100 -0.144 0.000 1.097 763 Y CB -0.768 37.670 38.460 -0.037 0.000 0.978 763 Y HN -0.103 nan 8.280 nan 0.000 0.480 764 L N -0.091 120.908 121.223 -0.375 0.000 2.043 764 L HA -0.300 4.038 4.340 -0.003 0.000 0.212 764 L C 2.546 179.200 176.870 -0.361 0.000 1.075 764 L CA 1.262 55.808 54.840 -0.490 0.000 0.752 764 L CB -0.726 41.179 42.059 -0.255 0.000 0.891 764 L HN 0.374 nan 8.230 nan 0.000 0.432 765 I N -0.025 120.355 120.570 -0.316 0.000 2.226 765 I HA -0.261 3.907 4.170 -0.003 0.000 0.245 765 I C 2.869 178.792 176.117 -0.323 0.000 1.100 765 I CA 1.983 63.097 61.300 -0.309 0.000 1.374 765 I CB -1.113 36.676 38.000 -0.352 0.000 1.057 765 I HN 0.404 nan 8.210 nan 0.000 0.413 766 S N 0.462 115.886 115.700 -0.460 0.000 2.402 766 S HA -0.159 4.309 4.470 -0.003 0.000 0.229 766 S C 2.168 176.631 174.600 -0.228 0.000 1.021 766 S CA 1.416 59.364 58.200 -0.421 0.000 0.974 766 S CB -0.718 62.126 63.200 -0.593 0.000 0.800 766 S HN 0.538 nan 8.310 nan 0.000 0.484 767 S N 1.846 117.388 115.700 -0.263 0.000 2.453 767 S HA -0.019 4.449 4.470 -0.003 0.000 0.231 767 S C 1.576 176.088 174.600 -0.147 0.000 1.005 767 S CA 0.994 59.076 58.200 -0.197 0.000 0.949 767 S CB -0.906 62.116 63.200 -0.296 0.000 0.774 767 S HN 0.676 nan 8.310 nan 0.000 0.510 768 N N 0.665 119.272 118.700 -0.154 0.000 2.216 768 N HA 0.036 4.774 4.740 -0.003 0.000 0.183 768 N C 1.577 177.051 175.510 -0.061 0.000 1.017 768 N CA 1.104 54.101 53.050 -0.087 0.000 0.861 768 N CB -0.212 38.240 38.487 -0.059 0.000 0.986 768 N HN 0.206 nan 8.380 nan 0.000 0.428 769 V N 0.455 120.319 119.914 -0.082 0.000 2.332 769 V HA -0.183 3.935 4.120 -0.003 0.000 0.248 769 V C 2.297 178.360 176.094 -0.052 0.000 1.055 769 V CA 2.105 64.362 62.300 -0.071 0.000 1.038 769 V CB -1.097 30.662 31.823 -0.107 0.000 0.651 769 V HN 0.445 nan 8.190 nan 0.000 0.450 770 G N -0.441 108.330 108.800 -0.049 0.000 2.418 770 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.217 770 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.217 770 G C 1.406 176.297 174.900 -0.016 0.000 1.158 770 G CA 0.786 45.872 45.100 -0.024 0.000 0.771 770 G HN 0.594 nan 8.290 nan 0.000 0.545 771 E N -0.016 120.170 120.200 -0.023 0.000 2.204 771 E HA -0.053 4.295 4.350 -0.003 0.000 0.195 771 E C 2.560 179.166 176.600 0.009 0.000 0.990 771 E CA 0.613 57.007 56.400 -0.010 0.000 0.821 771 E CB -0.015 29.675 29.700 -0.016 0.000 0.750 771 E HN 0.336 nan 8.360 nan 0.000 0.477 772 V N 0.593 120.511 119.914 0.007 0.000 2.488 772 V HA -0.176 3.942 4.120 -0.003 0.000 0.246 772 V C 2.246 178.380 176.094 0.066 0.000 1.046 772 V CA 0.939 63.255 62.300 0.026 0.000 1.053 772 V CB -0.028 31.793 31.823 -0.003 0.000 0.679 772 V HN 0.127 nan 8.190 nan 0.000 0.458 773 V N -0.428 119.513 119.914 0.045 0.000 2.287 773 V HA -0.345 3.773 4.120 -0.003 0.000 0.248 773 V C 2.612 178.787 176.094 0.134 0.000 1.053 773 V CA 2.337 64.692 62.300 0.092 0.000 1.027 773 V CB -0.712 31.136 31.823 0.041 0.000 0.646 773 V HN 0.812 nan 8.190 nan 0.000 0.447 774 C N 0.570 119.909 119.300 0.065 0.000 2.396 774 C HA -0.215 4.243 4.460 -0.003 0.000 0.281 774 C C 2.586 177.612 174.990 0.060 0.000 1.208 774 C CA 1.417 60.461 59.018 0.043 0.000 1.754 774 C CB -1.139 26.606 27.740 0.008 0.000 2.044 774 C HN 0.545 nan 8.230 nan 0.000 0.449 775 I N 0.495 121.102 120.570 0.062 0.000 2.399 775 I HA -0.164 4.004 4.170 -0.003 0.000 0.254 775 I C 2.304 178.474 176.117 0.088 0.000 1.146 775 I CA 1.971 63.304 61.300 0.056 0.000 1.412 775 I CB -1.456 36.576 38.000 0.052 0.000 1.076 775 I HN 0.511 nan 8.210 nan 0.000 0.432 776 F N 1.051 120.997 119.950 -0.006 0.000 2.512 776 F HA 0.011 4.536 4.527 -0.003 0.000 0.296 776 F C 2.129 177.937 175.800 0.013 0.000 1.110 776 F CA 0.911 58.910 58.000 -0.001 0.000 1.446 776 F CB 0.008 39.006 39.000 -0.003 0.000 1.092 776 F HN -0.133 nan 8.300 nan 0.000 0.554 777 L N -1.076 120.124 121.223 -0.038 0.000 2.102 777 L HA -0.106 4.231 4.340 -0.003 0.000 0.202 777 L C 2.509 179.322 176.870 -0.096 0.000 1.076 777 L CA 1.398 56.172 54.840 -0.110 0.000 0.761 777 L CB -1.178 40.887 42.059 0.011 0.000 0.921 777 L HN 0.075 nan 8.230 nan 0.000 0.444 778 T N -0.176 114.363 114.554 -0.025 0.000 2.685 778 T HA -0.274 4.074 4.350 -0.003 0.000 0.268 778 T C 1.733 176.472 174.700 0.065 0.000 1.034 778 T CA 1.922 64.039 62.100 0.029 0.000 1.149 778 T CB 0.016 68.902 68.868 0.030 0.000 0.860 778 T HN 0.447 nan 8.240 nan 0.000 0.449 779 A N 0.264 123.073 122.820 -0.018 0.000 1.935 779 A HA 0.514 4.832 4.320 -0.003 0.000 0.214 779 A C 2.645 180.193 177.584 -0.061 0.000 1.178 779 A CA 1.400 53.455 52.037 0.031 0.000 0.640 779 A CB -1.012 17.953 19.000 -0.059 0.000 0.825 779 A HN 0.594 nan 8.150 nan 0.000 0.447 780 A N 0.065 122.702 122.820 -0.304 0.000 1.940 780 A HA -0.049 4.269 4.320 -0.003 0.000 0.219 780 A C 2.106 179.606 177.584 -0.140 0.000 1.176 780 A CA 1.572 53.403 52.037 -0.344 0.000 0.631 780 A CB -0.516 18.093 19.000 -0.651 0.000 0.814 780 A HN 0.477 nan 8.150 nan 0.000 0.446 781 L N -2.583 118.593 121.223 -0.078 0.000 2.127 781 L HA 0.211 4.549 4.340 -0.003 0.000 0.203 781 L C 2.028 178.915 176.870 0.027 0.000 1.080 781 L CA 0.938 55.772 54.840 -0.010 0.000 0.768 781 L CB -0.467 41.602 42.059 0.016 0.000 0.924 781 L HN 0.578 nan 8.230 nan 0.000 0.444 782 G N -0.501 108.363 108.800 0.108 0.000 2.211 782 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.201 782 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.201 782 G C 0.050 175.131 174.900 0.302 0.000 0.997 782 G CA -0.409 44.766 45.100 0.126 0.000 0.652 782 G HN 0.043 nan 8.290 nan 0.000 0.500 783 L N 1.941 123.330 121.223 0.277 0.000 2.498 783 L HA 0.341 4.679 4.340 -0.003 0.000 0.293 783 L C -1.593 175.491 176.870 0.356 0.000 1.271 783 L CA -0.294 54.725 54.840 0.298 0.000 0.831 783 L CB 0.027 42.190 42.059 0.172 0.000 1.091 783 L HN 0.032 nan 8.230 nan 0.000 0.535 784 P HA 0.135 nan 4.420 nan 0.000 0.279 784 P C -1.236 176.056 177.300 -0.015 0.000 1.239 784 P CA -0.604 62.339 63.100 -0.263 0.000 0.789 784 P CB 0.384 31.815 31.700 -0.448 0.000 0.933 785 E N 1.692 121.914 120.200 0.037 0.000 2.905 785 E HA -0.104 4.244 4.350 -0.003 0.000 0.240 785 E C 0.905 177.477 176.600 -0.047 0.000 0.990 785 E CA 0.035 56.441 56.400 0.010 0.000 0.954 785 E CB 0.093 29.800 29.700 0.012 0.000 0.908 785 E HN 0.441 nan 8.360 nan 0.000 0.532 786 A N 4.928 127.718 122.820 -0.051 0.000 1.874 786 A HA 0.007 4.325 4.320 -0.003 0.000 0.214 786 A C 0.838 178.375 177.584 -0.078 0.000 1.189 786 A CA 0.672 52.653 52.037 -0.093 0.000 0.615 786 A CB 0.228 19.181 19.000 -0.078 0.000 0.830 786 A HN 0.507 nan 8.150 nan 0.000 0.443 787 L N 0.805 122.002 121.223 -0.043 0.000 2.341 787 L HA 0.447 4.785 4.340 -0.003 0.000 0.278 787 L C -0.830 176.039 176.870 -0.003 0.000 1.005 787 L CA -0.694 54.132 54.840 -0.023 0.000 0.818 787 L CB 1.875 43.926 42.059 -0.013 0.000 1.259 787 L HN 0.152 nan 8.230 nan 0.000 0.418 788 I N 3.746 124.325 120.570 0.015 0.000 2.498 788 I HA 0.294 4.462 4.170 -0.003 0.000 0.301 788 I C -1.427 174.724 176.117 0.057 0.000 0.984 788 I CA -2.370 58.948 61.300 0.030 0.000 1.204 788 I CB 1.730 39.748 38.000 0.029 0.000 1.362 788 I HN 0.322 nan 8.210 nan 0.000 0.471 789 P HA -0.161 nan 4.420 nan 0.000 0.216 789 P C 1.746 179.108 177.300 0.104 0.000 1.157 789 P CA 1.286 64.427 63.100 0.069 0.000 0.880 789 P CB 0.192 31.928 31.700 0.059 0.000 0.791 790 V N -0.276 119.701 119.914 0.105 0.000 2.332 790 V HA -0.318 3.800 4.120 -0.003 0.000 0.248 790 V C 2.433 178.705 176.094 0.298 0.000 1.055 790 V CA 1.992 64.379 62.300 0.145 0.000 1.038 790 V CB -1.705 30.140 31.823 0.036 0.000 0.651 790 V HN 0.199 nan 8.190 nan 0.000 0.450 791 Q N 0.045 120.011 119.800 0.277 0.000 2.050 791 Q HA -0.123 4.215 4.340 -0.003 0.000 0.202 791 Q C 2.366 178.513 176.000 0.246 0.000 0.980 791 Q CA 1.614 57.595 55.803 0.297 0.000 0.840 791 Q CB -0.387 28.448 28.738 0.162 0.000 0.898 791 Q HN 0.534 nan 8.270 nan 0.000 0.424 792 L N 0.612 121.928 121.223 0.154 0.000 2.043 792 L HA -0.241 4.097 4.340 -0.003 0.000 0.212 792 L C 2.385 179.325 176.870 0.117 0.000 1.075 792 L CA 1.057 55.959 54.840 0.104 0.000 0.752 792 L CB -0.576 41.521 42.059 0.063 0.000 0.891 792 L HN 0.265 nan 8.230 nan 0.000 0.432 793 L N -1.330 119.988 121.223 0.158 0.000 1.976 793 L HA -0.290 4.048 4.340 -0.003 0.000 0.209 793 L C 2.530 179.507 176.870 0.178 0.000 1.071 793 L CA 1.723 56.650 54.840 0.144 0.000 0.746 793 L CB -0.904 41.254 42.059 0.165 0.000 0.890 793 L HN 0.541 nan 8.230 nan 0.000 0.432 794 W N 0.941 122.312 121.300 0.119 0.000 2.290 794 W HA -0.283 4.375 4.660 -0.003 0.000 0.318 794 W C 2.189 178.722 176.519 0.022 0.000 1.248 794 W CA 2.277 59.683 57.345 0.102 0.000 1.263 794 W CB -0.325 29.201 29.460 0.110 0.000 1.147 794 W HN -0.027 nan 8.180 nan 0.000 0.494 795 V N 1.767 121.740 119.914 0.098 0.000 2.237 795 V HA -0.369 3.749 4.120 -0.003 0.000 0.245 795 V C 2.243 178.259 176.094 -0.130 0.000 1.046 795 V CA 2.437 64.709 62.300 -0.047 0.000 1.007 795 V CB -1.162 30.674 31.823 0.023 0.000 0.638 795 V HN 0.151 nan 8.190 nan 0.000 0.445 796 N N -0.138 118.512 118.700 -0.083 0.000 2.289 796 N HA -0.077 4.661 4.740 -0.003 0.000 0.184 796 N C 1.656 177.083 175.510 -0.139 0.000 1.016 796 N CA 1.215 54.197 53.050 -0.113 0.000 0.872 796 N CB -0.208 38.236 38.487 -0.072 0.000 0.973 796 N HN 0.411 nan 8.380 nan 0.000 0.433 797 L N -0.610 120.523 121.223 -0.149 0.000 2.185 797 L HA 0.045 4.383 4.340 -0.003 0.000 0.198 797 L C 1.970 178.678 176.870 -0.270 0.000 1.079 797 L CA 0.639 55.374 54.840 -0.176 0.000 0.780 797 L CB -0.309 41.672 42.059 -0.130 0.000 0.955 797 L HN -0.068 nan 8.230 nan 0.000 0.462 798 V N -0.586 119.056 119.914 -0.454 0.000 2.398 798 V HA -0.159 3.959 4.120 -0.003 0.000 0.236 798 V C 2.610 178.438 176.094 -0.443 0.000 1.054 798 V CA 1.837 63.795 62.300 -0.571 0.000 1.060 798 V CB -0.723 30.447 31.823 -1.088 0.000 0.707 798 V HN 0.579 nan 8.190 nan 0.000 0.480 799 T N -1.949 112.302 114.554 -0.505 0.000 2.897 799 T HA -0.216 4.132 4.350 -0.003 0.000 0.271 799 T C 1.227 175.861 174.700 -0.109 0.000 1.084 799 T CA 2.062 64.030 62.100 -0.220 0.000 1.123 799 T CB -0.336 68.467 68.868 -0.107 0.000 0.865 799 T HN 0.404 nan 8.240 nan 0.000 0.496 800 D N 0.549 120.868 120.400 -0.134 0.000 2.380 800 D HA 0.263 4.901 4.640 -0.003 0.000 0.212 800 D C 2.324 178.597 176.300 -0.045 0.000 1.021 800 D CA 0.755 54.716 54.000 -0.064 0.000 0.884 800 D CB -0.571 40.122 40.800 -0.179 0.000 1.001 800 D HN 0.482 nan 8.370 nan 0.000 0.506 801 G N 0.807 109.525 108.800 -0.135 0.000 2.422 801 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.218 801 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.218 801 G C 1.615 176.428 174.900 -0.145 0.000 1.146 801 G CA 0.419 45.425 45.100 -0.157 0.000 0.769 801 G HN 0.223 nan 8.290 nan 0.000 0.547 802 L N 0.721 121.873 121.223 -0.118 0.000 1.994 802 L HA -0.038 4.300 4.340 -0.003 0.000 0.208 802 L C -0.026 176.792 176.870 -0.088 0.000 1.071 802 L CA 1.177 55.957 54.840 -0.100 0.000 0.745 802 L CB -1.131 40.891 42.059 -0.063 0.000 0.892 802 L HN 0.169 nan 8.230 nan 0.000 0.431 803 P HA -0.080 nan 4.420 nan 0.000 0.223 803 P C 1.206 178.440 177.300 -0.110 0.000 1.151 803 P CA 1.257 64.319 63.100 -0.064 0.000 0.787 803 P CB 0.067 31.756 31.700 -0.017 0.000 0.788 804 A N -0.205 122.622 122.820 0.012 0.000 1.872 804 A HA -0.136 4.182 4.320 -0.003 0.000 0.214 804 A C 2.299 179.692 177.584 -0.317 0.000 1.187 804 A CA 2.255 54.285 52.037 -0.012 0.000 0.614 804 A CB -1.892 17.105 19.000 -0.006 0.000 0.826 804 A HN 0.301 nan 8.150 nan 0.000 0.442 805 T N -2.408 111.905 114.554 -0.402 0.000 2.995 805 T HA 0.180 4.528 4.350 -0.003 0.000 0.269 805 T C 1.744 176.002 174.700 -0.736 0.000 1.091 805 T CA 1.509 63.272 62.100 -0.562 0.000 1.128 805 T CB -0.301 68.296 68.868 -0.451 0.000 0.891 805 T HN 0.471 nan 8.240 nan 0.000 0.492 806 A N 1.186 123.669 122.820 -0.562 0.000 1.970 806 A HA 0.348 4.666 4.320 -0.003 0.000 0.216 806 A C 2.346 179.690 177.584 -0.401 0.000 1.170 806 A CA 0.631 52.300 52.037 -0.614 0.000 0.645 806 A CB -0.715 18.167 19.000 -0.195 0.000 0.816 806 A HN 0.546 nan 8.150 nan 0.000 0.447 807 L N -0.498 120.586 121.223 -0.231 0.000 2.265 807 L HA -0.131 4.207 4.340 -0.003 0.000 0.215 807 L C 2.551 179.425 176.870 0.006 0.000 1.117 807 L CA 0.816 55.610 54.840 -0.076 0.000 0.782 807 L CB -0.456 41.590 42.059 -0.022 0.000 0.914 807 L HN 0.515 nan 8.230 nan 0.000 0.441 808 G N -0.697 108.071 108.800 -0.053 0.000 2.509 808 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.218 808 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.218 808 G C 0.835 175.866 174.900 0.219 0.000 1.124 808 G CA -0.007 45.162 45.100 0.114 0.000 0.776 808 G HN 0.251 nan 8.290 nan 0.000 0.547 809 F N 1.298 121.240 119.950 -0.012 0.000 2.713 809 F HA 0.354 4.879 4.527 -0.003 0.000 0.294 809 F C 0.592 176.422 175.800 0.049 0.000 1.152 809 F CA -1.856 56.123 58.000 -0.035 0.000 1.385 809 F CB -1.129 37.772 39.000 -0.164 0.000 0.981 809 F HN -0.100 nan 8.300 nan 0.000 0.514 810 N N 1.795 120.609 118.700 0.190 0.000 2.415 810 N HA 0.128 4.866 4.740 -0.003 0.000 0.248 810 N C -2.455 173.123 175.510 0.114 0.000 1.271 810 N CA -1.411 51.714 53.050 0.125 0.000 0.913 810 N CB 0.215 38.736 38.487 0.058 0.000 1.129 810 N HN -0.064 nan 8.380 nan 0.000 0.444 811 P HA 0.223 nan 4.420 nan 0.000 0.271 811 P C -2.309 175.021 177.300 0.050 0.000 1.226 811 P CA -0.689 62.455 63.100 0.073 0.000 0.765 811 P CB 0.065 31.802 31.700 0.062 0.000 0.835 812 P HA 0.110 nan 4.420 nan 0.000 0.271 812 P C -0.276 177.040 177.300 0.026 0.000 1.216 812 P CA 0.009 63.130 63.100 0.034 0.000 0.776 812 P CB 0.399 32.118 31.700 0.032 0.000 0.881 813 D N 1.175 121.587 120.400 0.021 0.000 2.419 813 D HA -0.015 4.623 4.640 -0.003 0.000 0.236 813 D C 1.281 177.591 176.300 0.017 0.000 1.165 813 D CA 0.233 54.243 54.000 0.016 0.000 0.882 813 D CB 0.597 41.406 40.800 0.014 0.000 1.201 813 D HN 0.313 nan 8.370 nan 0.000 0.443 814 L N 0.945 122.177 121.223 0.014 0.000 2.558 814 L HA -0.025 4.313 4.340 -0.003 0.000 0.225 814 L C 1.249 178.126 176.870 0.011 0.000 1.128 814 L CA 0.444 55.292 54.840 0.013 0.000 0.868 814 L CB -0.023 42.043 42.059 0.013 0.000 1.006 814 L HN 0.354 nan 8.230 nan 0.000 0.454 815 D N -0.957 119.449 120.400 0.010 0.000 2.462 815 D HA 0.029 4.667 4.640 -0.003 0.000 0.221 815 D C 1.673 177.980 176.300 0.011 0.000 1.173 815 D CA -0.151 53.854 54.000 0.009 0.000 0.831 815 D CB -0.109 40.695 40.800 0.007 0.000 1.001 815 D HN 0.216 nan 8.370 nan 0.000 0.499 816 I N 0.234 120.812 120.570 0.014 0.000 2.181 816 I HA -0.256 3.911 4.170 -0.003 0.000 0.247 816 I C 1.654 177.778 176.117 0.013 0.000 1.081 816 I CA 1.097 62.407 61.300 0.017 0.000 1.340 816 I CB -0.214 37.797 38.000 0.018 0.000 1.036 816 I HN 0.045 nan 8.210 nan 0.000 0.417 817 M N -0.115 119.491 119.600 0.009 0.000 2.723 817 M HA 0.092 4.570 4.480 -0.003 0.000 0.270 817 M C 0.016 176.320 176.300 0.007 0.000 1.282 817 M CA 0.702 56.006 55.300 0.007 0.000 0.995 817 M CB -0.431 32.172 32.600 0.004 0.000 1.430 817 M HN 0.152 nan 8.290 nan 0.000 0.477 818 D N -0.174 120.230 120.400 0.008 0.000 2.502 818 D HA 0.194 4.832 4.640 -0.003 0.000 0.232 818 D C 0.463 176.768 176.300 0.007 0.000 1.137 818 D CA 0.179 54.183 54.000 0.007 0.000 0.827 818 D CB 1.358 42.162 40.800 0.006 0.000 1.141 818 D HN 0.278 nan 8.370 nan 0.000 0.517 819 R N 1.203 121.709 120.500 0.009 0.000 2.536 819 R HA 0.451 4.789 4.340 -0.003 0.000 0.279 819 R C -2.377 173.928 176.300 0.008 0.000 1.001 819 R CA -1.511 54.594 56.100 0.009 0.000 1.027 819 R CB 1.170 31.478 30.300 0.013 0.000 1.096 819 R HN -0.136 nan 8.270 nan 0.000 0.502 820 P HA 0.081 nan 4.420 nan 0.000 0.272 820 P C -2.480 174.822 177.300 0.003 0.000 1.254 820 P CA -1.017 62.087 63.100 0.006 0.000 0.795 820 P CB -0.084 31.619 31.700 0.006 0.000 1.022 821 P HA 0.196 nan 4.420 nan 0.000 0.275 821 P C -0.282 177.010 177.300 -0.013 0.000 1.228 821 P CA -0.241 62.853 63.100 -0.010 0.000 0.786 821 P CB 0.416 32.109 31.700 -0.012 0.000 0.927 822 R N 1.825 122.310 120.500 -0.026 0.000 2.734 822 R HA 0.226 4.564 4.340 -0.003 0.000 0.266 822 R C 0.150 176.426 176.300 -0.039 0.000 1.044 822 R CA 0.003 56.086 56.100 -0.029 0.000 1.128 822 R CB 0.167 30.430 30.300 -0.062 0.000 1.010 822 R HN 0.442 nan 8.270 nan 0.000 0.461 823 S N 2.494 118.182 115.700 -0.020 0.000 2.554 823 S HA 0.310 4.778 4.470 -0.003 0.000 0.278 823 S C -1.824 172.755 174.600 -0.035 0.000 1.242 823 S CA -1.801 56.389 58.200 -0.016 0.000 1.051 823 S CB 1.380 64.584 63.200 0.006 0.000 0.986 823 S HN 0.585 nan 8.310 nan 0.000 0.502 824 P HA 0.136 nan 4.420 nan 0.000 0.236 824 P C 0.224 177.515 177.300 -0.014 0.000 1.177 824 P CA 0.674 63.744 63.100 -0.050 0.000 0.773 824 P CB 0.111 31.785 31.700 -0.043 0.000 0.878 825 K N -0.160 120.243 120.400 0.004 0.000 2.387 825 K HA 0.067 4.385 4.320 -0.003 0.000 0.198 825 K C 0.562 177.183 176.600 0.035 0.000 1.022 825 K CA -0.066 56.233 56.287 0.022 0.000 1.128 825 K CB 0.275 32.789 32.500 0.023 0.000 0.853 825 K HN 0.249 nan 8.250 nan 0.000 0.523 826 E N 2.979 123.201 120.200 0.037 0.000 2.257 826 E HA 0.078 4.426 4.350 -0.003 0.000 0.278 826 E C -2.406 174.242 176.600 0.080 0.000 1.049 826 E CA -2.120 54.315 56.400 0.059 0.000 0.876 826 E CB 0.691 30.431 29.700 0.066 0.000 1.035 826 E HN -0.077 nan 8.360 nan 0.000 0.419 827 P HA 0.082 nan 4.420 nan 0.000 0.279 827 P C 0.464 177.829 177.300 0.108 0.000 1.252 827 P CA -0.314 62.844 63.100 0.097 0.000 0.811 827 P CB 0.935 32.694 31.700 0.099 0.000 1.035 828 L N 0.233 121.515 121.223 0.098 0.000 2.131 828 L HA 0.123 4.461 4.340 -0.003 0.000 0.206 828 L C 0.752 177.683 176.870 0.101 0.000 1.087 828 L CA 1.218 56.101 54.840 0.073 0.000 0.767 828 L CB -0.097 41.968 42.059 0.011 0.000 0.917 828 L HN 0.323 nan 8.230 nan 0.000 0.441 829 I N -0.691 119.964 120.570 0.142 0.000 2.512 829 I HA 0.260 4.428 4.170 -0.003 0.000 0.287 829 I C -0.579 175.704 176.117 0.276 0.000 1.069 829 I CA -0.201 61.227 61.300 0.213 0.000 1.056 829 I CB 1.907 40.036 38.000 0.217 0.000 1.229 829 I HN -0.024 nan 8.210 nan 0.000 0.429 830 S N 3.332 119.193 115.700 0.268 0.000 2.636 830 S HA 0.885 5.353 4.470 -0.003 0.000 0.268 830 S C 0.065 174.806 174.600 0.236 0.000 1.159 830 S CA -0.259 58.088 58.200 0.245 0.000 0.815 830 S CB 1.286 64.573 63.200 0.145 0.000 1.130 830 S HN 1.348 nan 8.310 nan 0.000 0.471 831 G N 1.378 110.282 108.800 0.174 0.000 2.614 831 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.303 831 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.303 831 G C 0.841 175.922 174.900 0.302 0.000 1.270 831 G CA 0.665 45.885 45.100 0.199 0.000 0.988 831 G HN 1.323 nan 8.290 nan 0.000 0.551 832 W N -0.133 121.242 121.300 0.124 0.000 2.321 832 W HA -0.140 4.518 4.660 -0.003 0.000 0.306 832 W C 2.455 179.087 176.519 0.188 0.000 1.217 832 W CA 2.264 59.699 57.345 0.151 0.000 1.257 832 W CB -0.319 29.187 29.460 0.077 0.000 1.145 832 W HN 0.462 nan 8.180 nan 0.000 0.509 833 L N 0.631 121.931 121.223 0.129 0.000 2.083 833 L HA -0.198 4.140 4.340 -0.003 0.000 0.209 833 L C 2.378 179.215 176.870 -0.056 0.000 1.083 833 L CA 2.060 56.866 54.840 -0.056 0.000 0.752 833 L CB -1.588 40.519 42.059 0.080 0.000 0.899 833 L HN 0.041 nan 8.230 nan 0.000 0.433 834 F N -1.330 118.625 119.950 0.009 0.000 2.216 834 F HA -0.276 4.249 4.527 -0.003 0.000 0.300 834 F C 2.133 177.911 175.800 -0.036 0.000 1.085 834 F CA 1.426 59.459 58.000 0.056 0.000 1.326 834 F CB -0.254 38.800 39.000 0.090 0.000 1.027 834 F HN 0.185 nan 8.300 nan 0.000 0.497 835 F N 1.025 120.970 119.950 -0.009 0.000 2.325 835 F HA 0.017 4.542 4.527 -0.003 0.000 0.299 835 F C 2.261 177.791 175.800 -0.450 0.000 1.090 835 F CA 1.184 59.056 58.000 -0.214 0.000 1.392 835 F CB -0.374 38.386 39.000 -0.400 0.000 1.053 835 F HN -0.215 nan 8.300 nan 0.000 0.521 836 R N -1.334 118.762 120.500 -0.674 0.000 2.073 836 R HA -0.135 4.203 4.340 -0.003 0.000 0.229 836 R C 1.920 177.901 176.300 -0.531 0.000 1.120 836 R CA 1.580 57.273 56.100 -0.678 0.000 0.967 836 R CB -0.614 29.285 30.300 -0.667 0.000 0.862 836 R HN 0.285 nan 8.270 nan 0.000 0.436 837 Y N -0.096 120.003 120.300 -0.336 0.000 2.439 837 Y HA -0.065 4.483 4.550 -0.003 0.000 0.292 837 Y C 2.135 177.820 175.900 -0.358 0.000 1.130 837 Y CA 0.631 58.555 58.100 -0.294 0.000 1.254 837 Y CB -0.236 38.057 38.460 -0.278 0.000 1.000 837 Y HN 0.014 nan 8.280 nan 0.000 0.554 838 M N 0.010 119.395 119.600 -0.357 0.000 2.175 838 M HA -0.052 4.426 4.480 -0.003 0.000 0.264 838 M C 2.114 178.210 176.300 -0.340 0.000 1.063 838 M CA 1.927 57.004 55.300 -0.372 0.000 1.119 838 M CB -0.325 32.053 32.600 -0.371 0.000 1.377 838 M HN 0.116 nan 8.290 nan 0.000 0.415 839 A N -0.095 122.438 122.820 -0.478 0.000 1.911 839 A HA 0.062 4.379 4.320 -0.003 0.000 0.212 839 A C 1.953 179.452 177.584 -0.142 0.000 1.189 839 A CA 0.992 52.814 52.037 -0.358 0.000 0.639 839 A CB -0.656 18.037 19.000 -0.512 0.000 0.839 839 A HN 0.481 nan 8.150 nan 0.000 0.449 840 I N 0.487 120.980 120.570 -0.129 0.000 2.226 840 I HA -0.198 3.970 4.170 -0.003 0.000 0.245 840 I C 2.628 178.788 176.117 0.071 0.000 1.100 840 I CA 1.645 62.944 61.300 -0.002 0.000 1.374 840 I CB -1.958 36.064 38.000 0.037 0.000 1.057 840 I HN 0.346 nan 8.210 nan 0.000 0.413 841 G N 0.849 109.656 108.800 0.012 0.000 2.421 841 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.216 841 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.216 841 G C 1.754 176.663 174.900 0.015 0.000 1.171 841 G CA 0.799 45.901 45.100 0.004 0.000 0.775 841 G HN 0.469 nan 8.290 nan 0.000 0.543 842 G N -0.509 108.288 108.800 -0.005 0.000 2.479 842 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.220 842 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.220 842 G C 1.565 176.492 174.900 0.045 0.000 1.115 842 G CA 1.150 46.257 45.100 0.011 0.000 0.757 842 G HN 0.474 nan 8.290 nan 0.000 0.560 843 Y N 1.137 121.416 120.300 -0.035 0.000 2.176 843 Y HA -0.030 4.518 4.550 -0.003 0.000 0.291 843 Y C 2.811 178.706 175.900 -0.008 0.000 1.122 843 Y CA 1.689 59.778 58.100 -0.018 0.000 1.128 843 Y CB -0.354 38.091 38.460 -0.024 0.000 1.005 843 Y HN 0.099 nan 8.280 nan 0.000 0.509 844 V N -0.672 119.268 119.914 0.044 0.000 2.515 844 V HA -0.050 4.068 4.120 -0.003 0.000 0.250 844 V C 2.209 178.251 176.094 -0.086 0.000 1.058 844 V CA 2.158 64.439 62.300 -0.032 0.000 1.064 844 V CB -1.557 30.297 31.823 0.051 0.000 0.675 844 V HN 0.429 nan 8.190 nan 0.000 0.461 845 G N -0.078 108.694 108.800 -0.048 0.000 2.442 845 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.219 845 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.219 845 G C 1.716 176.580 174.900 -0.060 0.000 1.141 845 G CA 1.282 46.364 45.100 -0.029 0.000 0.763 845 G HN 0.937 nan 8.290 nan 0.000 0.554 846 A N 1.028 123.778 122.820 -0.116 0.000 1.897 846 A HA 0.421 4.739 4.320 -0.003 0.000 0.215 846 A C 2.815 180.286 177.584 -0.188 0.000 1.181 846 A CA 1.916 53.871 52.037 -0.137 0.000 0.620 846 A CB -0.761 18.139 19.000 -0.168 0.000 0.821 846 A HN 0.743 nan 8.150 nan 0.000 0.443 847 A N -0.002 122.629 122.820 -0.316 0.000 1.908 847 A HA -0.137 4.181 4.320 -0.003 0.000 0.218 847 A C 2.454 179.950 177.584 -0.147 0.000 1.181 847 A CA 2.710 54.580 52.037 -0.279 0.000 0.627 847 A CB -1.370 17.424 19.000 -0.344 0.000 0.818 847 A HN 0.722 nan 8.150 nan 0.000 0.445 848 T N -2.779 111.706 114.554 -0.114 0.000 2.732 848 T HA -0.080 4.268 4.350 -0.003 0.000 0.261 848 T C 1.739 176.399 174.700 -0.068 0.000 1.040 848 T CA 1.419 63.470 62.100 -0.082 0.000 1.145 848 T CB -0.944 67.885 68.868 -0.064 0.000 0.866 848 T HN 0.054 nan 8.240 nan 0.000 0.427 849 V N 2.339 122.221 119.914 -0.053 0.000 2.233 849 V HA -0.052 4.066 4.120 -0.003 0.000 0.247 849 V C 3.138 179.221 176.094 -0.019 0.000 1.050 849 V CA 2.116 64.396 62.300 -0.033 0.000 1.010 849 V CB -1.607 30.209 31.823 -0.012 0.000 0.637 849 V HN 0.706 nan 8.190 nan 0.000 0.444 850 G N -0.393 108.398 108.800 -0.015 0.000 2.491 850 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.218 850 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.218 850 G C 1.744 176.688 174.900 0.074 0.000 1.180 850 G CA 1.192 46.310 45.100 0.030 0.000 0.774 850 G HN 0.660 nan 8.290 nan 0.000 0.562 851 A N 0.724 123.549 122.820 0.008 0.000 2.076 851 A HA 0.280 4.598 4.320 -0.003 0.000 0.220 851 A C 2.695 180.359 177.584 0.134 0.000 1.160 851 A CA 2.242 54.301 52.037 0.036 0.000 0.653 851 A CB -0.482 18.475 19.000 -0.071 0.000 0.801 851 A HN 0.777 nan 8.150 nan 0.000 0.455 852 A N -0.355 122.473 122.820 0.014 0.000 1.878 852 A HA 0.362 4.680 4.320 -0.003 0.000 0.213 852 A C 2.415 179.922 177.584 -0.129 0.000 1.192 852 A CA 1.398 53.371 52.037 -0.107 0.000 0.619 852 A CB -0.956 17.916 19.000 -0.214 0.000 0.837 852 A HN 1.033 nan 8.150 nan 0.000 0.446 853 A N -1.771 121.030 122.820 -0.033 0.000 2.125 853 A HA -0.102 4.216 4.320 -0.003 0.000 0.219 853 A C 1.814 179.498 177.584 0.167 0.000 1.156 853 A CA 1.384 53.458 52.037 0.062 0.000 0.671 853 A CB -0.743 18.317 19.000 0.100 0.000 0.794 853 A HN 0.857 nan 8.150 nan 0.000 0.459 854 W N -0.958 120.364 121.300 0.037 0.000 2.408 854 W HA -0.097 4.561 4.660 -0.003 0.000 0.311 854 W C 1.889 178.482 176.519 0.124 0.000 1.190 854 W CA 1.407 58.805 57.345 0.088 0.000 1.321 854 W CB -0.691 28.833 29.460 0.107 0.000 1.143 854 W HN 0.442 nan 8.180 nan 0.000 0.501 855 W N 0.245 121.505 121.300 -0.067 0.000 2.480 855 W HA -0.186 4.472 4.660 -0.003 0.000 0.257 855 W C 1.649 178.073 176.519 -0.157 0.000 1.235 855 W CA 1.467 58.622 57.345 -0.317 0.000 1.218 855 W CB -0.463 28.948 29.460 -0.082 0.000 1.131 855 W HN -0.114 nan 8.180 nan 0.000 0.606 856 F N -0.315 119.586 119.950 -0.083 0.000 2.123 856 F HA 0.008 4.533 4.527 -0.003 0.000 0.289 856 F C 2.188 177.739 175.800 -0.416 0.000 1.099 856 F CA 1.296 59.171 58.000 -0.209 0.000 1.234 856 F CB -1.221 37.761 39.000 -0.029 0.000 1.034 856 F HN -0.158 nan 8.300 nan 0.000 0.479 857 M N -1.267 118.202 119.600 -0.218 0.000 2.002 857 M HA -0.070 4.408 4.480 -0.003 0.000 0.207 857 M C 0.789 176.790 176.300 -0.500 0.000 1.302 857 M CA 0.851 55.872 55.300 -0.464 0.000 1.106 857 M CB -1.087 31.084 32.600 -0.716 0.000 1.009 857 M HN -0.177 nan 8.290 nan 0.000 0.430 858 Y N 1.243 121.383 120.300 -0.267 0.000 3.213 858 Y HA 0.312 4.860 4.550 -0.003 0.000 0.383 858 Y C 0.309 175.812 175.900 -0.662 0.000 1.006 858 Y CA -0.787 57.146 58.100 -0.277 0.000 1.932 858 Y CB -2.069 36.388 38.460 -0.004 0.000 2.090 858 Y HN 0.140 nan 8.280 nan 0.000 0.427 859 A N 0.099 122.515 122.820 -0.675 0.000 2.249 859 A HA 0.386 4.704 4.320 -0.003 0.000 0.314 859 A C 1.315 178.579 177.584 -0.534 0.000 1.290 859 A CA -0.620 50.852 52.037 -0.941 0.000 0.893 859 A CB 0.516 18.848 19.000 -1.114 0.000 1.165 859 A HN 0.339 nan 8.150 nan 0.000 0.530 860 E N 1.458 121.445 120.200 -0.354 0.000 2.284 860 E HA -0.211 4.137 4.350 -0.003 0.000 0.200 860 E C 0.079 176.571 176.600 -0.179 0.000 1.008 860 E CA 2.145 58.455 56.400 -0.150 0.000 0.829 860 E CB 0.064 29.763 29.700 -0.002 0.000 0.744 860 E HN 0.753 nan 8.360 nan 0.000 0.491 861 D N -1.385 118.836 120.400 -0.299 0.000 2.668 861 D HA 0.444 5.082 4.640 -0.003 0.000 0.247 861 D C -0.719 175.271 176.300 -0.517 0.000 1.268 861 D CA 0.286 54.128 54.000 -0.264 0.000 0.842 861 D CB 0.247 41.000 40.800 -0.079 0.000 1.399 861 D HN 0.140 nan 8.370 nan 0.000 0.530 862 G N 2.023 110.441 108.800 -0.636 0.000 2.404 862 G HA2 0.366 4.324 3.960 -0.003 0.000 0.298 862 G HA3 0.366 4.324 3.960 -0.003 0.000 0.298 862 G C -2.285 172.218 174.900 -0.663 0.000 1.577 862 G CA -0.758 43.775 45.100 -0.945 0.000 0.847 862 G HN 0.117 nan 8.290 nan 0.000 0.598 863 P HA -0.016 nan 4.420 nan 0.000 0.250 863 P C 0.950 178.054 177.300 -0.326 0.000 0.775 863 P CA 2.974 65.832 63.100 -0.404 0.000 1.105 863 P CB -0.067 31.340 31.700 -0.488 0.000 0.784 864 G N -4.409 104.199 108.800 -0.321 0.000 2.801 864 G HA2 0.264 4.222 3.960 -0.003 0.000 0.648 864 G HA3 0.264 4.222 3.960 -0.003 0.000 0.648 864 G C -1.129 173.669 174.900 -0.170 0.000 1.415 864 G CA -0.505 44.447 45.100 -0.247 0.000 0.887 864 G HN 0.369 nan 8.290 nan 0.000 0.627 865 V N 3.329 123.078 119.914 -0.274 0.000 4.346 865 V HA 0.182 4.299 4.120 -0.003 0.000 0.603 865 V C 1.829 177.612 176.094 -0.517 0.000 1.862 865 V CA 0.861 62.844 62.300 -0.529 0.000 2.819 865 V CB -0.038 31.319 31.823 -0.777 0.000 0.917 865 V HN 1.788 nan 8.190 nan 0.000 0.608 866 T N -0.135 114.256 114.554 -0.271 0.000 2.515 866 T HA -0.371 3.977 4.350 -0.003 0.000 0.246 866 T C 1.310 175.980 174.700 -0.050 0.000 1.268 866 T CA 3.044 65.073 62.100 -0.117 0.000 1.136 866 T CB -0.564 68.355 68.868 0.086 0.000 0.847 866 T HN 1.072 nan 8.240 nan 0.000 0.442 867 Y N 0.748 121.031 120.300 -0.028 0.000 2.590 867 Y HA 0.421 4.969 4.550 -0.003 0.000 0.263 867 Y C 1.102 176.954 175.900 -0.079 0.000 1.069 867 Y CA -0.889 57.193 58.100 -0.030 0.000 1.242 867 Y CB -0.489 37.996 38.460 0.041 0.000 1.357 867 Y HN 0.714 nan 8.280 nan 0.000 0.556 868 H N 1.426 120.259 119.070 -0.394 0.000 2.430 868 H HA 0.243 4.797 4.556 -0.003 0.000 0.359 868 H C -0.870 174.353 175.328 -0.174 0.000 1.672 868 H CA -0.125 55.721 56.048 -0.335 0.000 1.445 868 H CB 0.391 29.820 29.762 -0.555 0.000 1.642 868 H HN 0.366 nan 8.280 nan 0.000 0.593 869 Q N 1.649 121.404 119.800 -0.074 0.000 2.513 869 Q HA 0.140 4.478 4.340 -0.003 0.000 0.227 869 Q C 0.949 176.998 176.000 0.082 0.000 1.257 869 Q CA -0.249 55.564 55.803 0.017 0.000 0.915 869 Q CB -0.045 28.620 28.738 -0.122 0.000 1.507 869 Q HN 0.530 nan 8.270 nan 0.000 0.543 870 L N -0.572 120.640 121.223 -0.019 0.000 2.509 870 L HA 0.063 4.401 4.340 -0.003 0.000 0.222 870 L C 1.814 178.790 176.870 0.178 0.000 1.123 870 L CA 1.120 56.006 54.840 0.076 0.000 0.856 870 L CB -0.713 41.334 42.059 -0.020 0.000 0.985 870 L HN 0.448 nan 8.230 nan 0.000 0.456 871 T N -3.620 111.038 114.554 0.174 0.000 2.962 871 T HA -0.128 4.220 4.350 -0.003 0.000 0.270 871 T C 1.088 175.752 174.700 -0.060 0.000 1.088 871 T CA 1.307 63.492 62.100 0.141 0.000 1.127 871 T CB -0.907 67.983 68.868 0.038 0.000 0.883 871 T HN 0.515 nan 8.240 nan 0.000 0.493 872 H N 1.172 120.168 119.070 -0.124 0.000 2.645 872 H HA 0.315 4.869 4.556 -0.003 0.000 0.300 872 H C 1.139 176.207 175.328 -0.433 0.000 1.065 872 H CA -0.898 54.984 56.048 -0.277 0.000 1.173 872 H CB -1.178 28.468 29.762 -0.194 0.000 1.383 872 H HN 0.659 nan 8.280 nan 0.000 0.566 873 F N -1.234 118.412 119.950 -0.507 0.000 2.346 873 F HA -0.232 4.293 4.527 -0.004 0.000 0.301 873 F C 1.661 177.103 175.800 -0.597 0.000 1.070 873 F CA 0.668 58.036 58.000 -1.053 0.000 1.407 873 F CB -0.432 37.462 39.000 -1.844 0.000 1.072 873 F HN 0.103 nan 8.300 nan 0.000 0.543 874 M N 1.166 120.032 119.600 -1.223 0.000 2.117 874 M HA -0.117 4.361 4.480 -0.003 0.000 0.262 874 M C 0.853 176.915 176.300 -0.397 0.000 1.065 874 M CA 1.374 56.163 55.300 -0.850 0.000 1.114 874 M CB -1.260 30.813 32.600 -0.878 0.000 1.361 874 M HN 0.507 nan 8.290 nan 0.000 0.408 875 Q N -0.970 118.650 119.800 -0.300 0.000 2.506 875 Q HA 0.363 4.701 4.340 -0.003 0.000 0.242 875 Q C 0.019 175.979 176.000 -0.068 0.000 1.060 875 Q CA -0.540 55.180 55.803 -0.138 0.000 0.826 875 Q CB 0.921 29.603 28.738 -0.093 0.000 1.169 875 Q HN 0.188 nan 8.270 nan 0.000 0.521 876 C N -0.013 119.274 119.300 -0.022 0.000 3.108 876 C HA 0.014 4.472 4.460 -0.003 0.000 0.459 876 C C 2.205 177.265 174.990 0.117 0.000 1.439 876 C CA 0.797 59.850 59.018 0.059 0.000 2.376 876 C CB 0.227 28.035 27.740 0.114 0.000 2.844 876 C HN 0.890 nan 8.230 nan 0.000 0.516 877 T N 1.416 116.029 114.554 0.099 0.000 2.755 877 T HA -0.275 4.073 4.350 -0.003 0.000 0.266 877 T C 0.922 175.712 174.700 0.149 0.000 1.041 877 T CA 2.434 64.591 62.100 0.094 0.000 1.147 877 T CB -0.408 68.488 68.868 0.046 0.000 0.847 877 T HN 0.614 nan 8.240 nan 0.000 0.478 878 E N 0.210 120.494 120.200 0.140 0.000 2.476 878 E HA 0.174 4.522 4.350 -0.003 0.000 0.199 878 E C 1.116 177.798 176.600 0.137 0.000 1.021 878 E CA 0.145 56.642 56.400 0.161 0.000 0.907 878 E CB 0.350 30.095 29.700 0.076 0.000 0.974 878 E HN 0.317 nan 8.360 nan 0.000 0.489 879 D N -0.262 120.198 120.400 0.100 0.000 2.501 879 D HA -0.024 4.614 4.640 -0.003 0.000 0.224 879 D C 1.209 177.478 176.300 -0.051 0.000 1.202 879 D CA 0.030 54.032 54.000 0.003 0.000 0.829 879 D CB 0.001 40.821 40.800 0.034 0.000 1.023 879 D HN 0.293 nan 8.370 nan 0.000 0.499 880 H N -0.052 119.034 119.070 0.027 0.000 2.357 880 H HA -0.080 4.473 4.556 -0.004 0.000 0.296 880 H C -1.133 174.199 175.328 0.005 0.000 1.108 880 H CA 1.326 57.384 56.048 0.018 0.000 1.273 880 H CB -2.238 27.529 29.762 0.009 0.000 1.367 880 H HN 0.250 nan 8.280 nan 0.000 0.498 881 P HA -0.186 nan 4.420 nan 0.000 0.215 881 P C 0.595 177.802 177.300 -0.155 0.000 1.153 881 P CA 1.432 64.331 63.100 -0.334 0.000 0.853 881 P CB -0.414 31.062 31.700 -0.374 0.000 0.788 882 H N -0.585 118.348 119.070 -0.228 0.000 2.800 882 H HA 0.121 4.675 4.556 -0.003 0.000 0.291 882 H C -0.206 175.071 175.328 -0.085 0.000 1.076 882 H CA -0.947 54.991 56.048 -0.184 0.000 1.452 882 H CB -0.475 29.234 29.762 -0.088 0.000 1.461 882 H HN -0.177 nan 8.280 nan 0.000 0.488 883 F N 4.108 124.013 119.950 -0.075 0.000 2.350 883 F HA -0.249 4.276 4.527 -0.003 0.000 0.155 883 F C 0.089 175.772 175.800 -0.196 0.000 1.043 883 F CA 0.900 58.758 58.000 -0.237 0.000 0.794 883 F CB -0.545 38.217 39.000 -0.395 0.000 0.678 883 F HN 0.710 nan 8.300 nan 0.000 0.816 884 E N 0.526 120.727 120.200 0.002 0.000 3.423 884 E HA 0.178 4.526 4.350 -0.003 0.000 0.289 884 E C 0.365 176.988 176.600 0.039 0.000 1.111 884 E CA 0.004 56.435 56.400 0.052 0.000 1.182 884 E CB 0.625 30.378 29.700 0.089 0.000 1.283 884 E HN 0.344 nan 8.360 nan 0.000 0.392 885 G N 1.762 110.558 108.800 -0.007 0.000 2.807 885 G HA2 0.513 4.471 3.960 -0.003 0.000 0.316 885 G HA3 0.513 4.471 3.960 -0.003 0.000 0.316 885 G C 0.214 175.101 174.900 -0.022 0.000 0.900 885 G CA 0.043 45.136 45.100 -0.012 0.000 1.499 885 G HN 0.190 nan 8.290 nan 0.000 0.484 886 L N -1.037 120.181 121.223 -0.007 0.000 2.827 886 L HA 0.543 4.881 4.340 -0.003 0.000 0.315 886 L C -1.389 175.465 176.870 -0.027 0.000 0.769 886 L CA -1.191 53.625 54.840 -0.040 0.000 1.120 886 L CB 0.716 42.723 42.059 -0.088 0.000 1.712 886 L HN 0.199 nan 8.230 nan 0.000 0.343 887 D N -0.366 119.998 120.400 -0.059 0.000 2.274 887 D HA 0.431 5.069 4.640 -0.003 0.000 0.239 887 D C -0.294 175.995 176.300 -0.019 0.000 1.104 887 D CA -0.231 53.746 54.000 -0.039 0.000 0.840 887 D CB 1.603 42.372 40.800 -0.053 0.000 1.100 887 D HN 0.783 nan 8.370 nan 0.000 0.477 888 C N 4.235 123.576 119.300 0.068 0.000 2.842 888 C HA 0.169 4.627 4.460 -0.003 0.000 0.472 888 C C 1.242 176.358 174.990 0.211 0.000 1.272 888 C CA -0.025 59.119 59.018 0.209 0.000 1.549 888 C CB -1.965 25.904 27.740 0.217 0.000 1.870 888 C HN 0.755 nan 8.230 nan 0.000 0.613 889 E N -0.612 119.637 120.200 0.082 0.000 2.712 889 E HA 0.123 4.471 4.350 -0.003 0.000 0.221 889 E C 1.596 178.202 176.600 0.011 0.000 0.943 889 E CA -0.185 56.266 56.400 0.084 0.000 1.259 889 E CB 0.232 29.956 29.700 0.041 0.000 1.167 889 E HN 0.379 nan 8.360 nan 0.000 0.569 890 I N 1.056 121.521 120.570 -0.176 0.000 2.614 890 I HA -0.132 4.035 4.170 -0.003 0.000 0.258 890 I C 0.934 176.959 176.117 -0.153 0.000 1.189 890 I CA 1.112 62.279 61.300 -0.222 0.000 1.462 890 I CB -0.581 37.145 38.000 -0.457 0.000 1.092 890 I HN 0.206 nan 8.210 nan 0.000 0.442 891 F N 0.919 120.880 119.950 0.018 0.000 2.771 891 F HA -0.058 4.467 4.527 -0.004 0.000 0.299 891 F C 1.689 177.514 175.800 0.041 0.000 1.177 891 F CA 0.516 58.523 58.000 0.013 0.000 1.450 891 F CB -0.499 38.435 39.000 -0.110 0.000 1.114 891 F HN 0.170 nan 8.300 nan 0.000 0.587 892 E N -0.168 120.136 120.200 0.173 0.000 2.693 892 E HA 0.330 4.678 4.350 -0.003 0.000 0.214 892 E C 0.563 177.183 176.600 0.033 0.000 0.990 892 E CA -0.316 56.138 56.400 0.090 0.000 1.047 892 E CB 0.470 30.215 29.700 0.075 0.000 1.039 892 E HN 0.171 nan 8.360 nan 0.000 0.475 893 A N 2.192 125.046 122.820 0.057 0.000 2.483 893 A HA 0.163 4.481 4.320 -0.003 0.000 0.238 893 A C -1.658 175.803 177.584 -0.206 0.000 1.070 893 A CA -0.864 51.147 52.037 -0.045 0.000 0.770 893 A CB 0.196 19.219 19.000 0.038 0.000 1.008 893 A HN -0.051 nan 8.150 nan 0.000 0.497 894 P HA 0.020 nan 4.420 nan 0.000 0.222 894 P C 0.896 177.920 177.300 -0.460 0.000 1.157 894 P CA 0.785 63.715 63.100 -0.283 0.000 0.816 894 P CB 0.224 31.801 31.700 -0.204 0.000 0.813 895 E N 0.272 120.052 120.200 -0.699 0.000 2.070 895 E HA -0.181 4.167 4.350 -0.003 0.000 0.197 895 E C -0.615 175.350 176.600 -1.058 0.000 1.004 895 E CA 2.297 58.087 56.400 -1.017 0.000 0.805 895 E CB -2.109 26.589 29.700 -1.669 0.000 0.744 895 E HN 0.382 nan 8.360 nan 0.000 0.451 896 P HA -0.156 nan 4.420 nan 0.000 0.216 896 P C 1.232 178.270 177.300 -0.437 0.000 1.153 896 P CA 1.425 64.112 63.100 -0.689 0.000 0.848 896 P CB 0.009 31.255 31.700 -0.758 0.000 0.787 897 M N -0.902 118.464 119.600 -0.389 0.000 2.099 897 M HA -0.110 4.368 4.480 -0.003 0.000 0.262 897 M C 2.199 178.359 176.300 -0.232 0.000 1.067 897 M CA 2.503 57.650 55.300 -0.255 0.000 1.124 897 M CB -1.315 31.167 32.600 -0.196 0.000 1.353 897 M HN 0.040 nan 8.290 nan 0.000 0.410 898 T N -1.496 112.889 114.554 -0.281 0.000 3.051 898 T HA -0.078 4.270 4.350 -0.003 0.000 0.269 898 T C 1.712 176.237 174.700 -0.292 0.000 1.127 898 T CA 0.660 62.603 62.100 -0.262 0.000 1.107 898 T CB -0.038 68.645 68.868 -0.307 0.000 0.898 898 T HN 0.133 nan 8.240 nan 0.000 0.517 899 M N 1.420 120.840 119.600 -0.300 0.000 2.098 899 M HA 0.288 4.766 4.480 -0.003 0.000 0.262 899 M C 2.782 178.965 176.300 -0.195 0.000 1.072 899 M CA 1.658 56.810 55.300 -0.247 0.000 1.133 899 M CB -1.420 31.091 32.600 -0.148 0.000 1.344 899 M HN 0.509 nan 8.290 nan 0.000 0.414 900 A N -0.653 122.067 122.820 -0.168 0.000 2.066 900 A HA -0.074 4.244 4.320 -0.003 0.000 0.218 900 A C 2.180 179.697 177.584 -0.112 0.000 1.157 900 A CA 0.868 52.829 52.037 -0.127 0.000 0.670 900 A CB -0.702 18.228 19.000 -0.117 0.000 0.804 900 A HN 0.476 nan 8.150 nan 0.000 0.453 901 L N -1.159 119.993 121.223 -0.118 0.000 2.270 901 L HA 0.027 4.365 4.340 -0.003 0.000 0.210 901 L C 2.272 179.079 176.870 -0.106 0.000 1.104 901 L CA 1.225 56.016 54.840 -0.082 0.000 0.804 901 L CB 0.034 42.066 42.059 -0.045 0.000 0.937 901 L HN 0.255 nan 8.230 nan 0.000 0.450 902 S N -1.423 114.196 115.700 -0.135 0.000 2.436 902 S HA -0.097 4.371 4.470 -0.003 0.000 0.228 902 S C 1.708 176.252 174.600 -0.093 0.000 1.014 902 S CA 1.057 59.172 58.200 -0.141 0.000 0.950 902 S CB 0.210 63.151 63.200 -0.431 0.000 0.784 902 S HN 0.379 nan 8.310 nan 0.000 0.504 903 V N 1.336 121.188 119.914 -0.103 0.000 2.871 903 V HA 0.033 4.151 4.120 -0.003 0.000 0.256 903 V C 1.753 177.832 176.094 -0.025 0.000 1.082 903 V CA 0.980 63.251 62.300 -0.049 0.000 1.105 903 V CB -0.054 31.724 31.823 -0.075 0.000 0.713 903 V HN 0.404 nan 8.190 nan 0.000 0.473 904 L N -0.522 120.671 121.223 -0.050 0.000 2.071 904 L HA 0.072 4.410 4.340 -0.003 0.000 0.201 904 L C 2.425 179.274 176.870 -0.035 0.000 1.076 904 L CA 2.083 56.901 54.840 -0.036 0.000 0.755 904 L CB -0.598 41.433 42.059 -0.046 0.000 0.915 904 L HN 0.114 nan 8.230 nan 0.000 0.445 905 V N 0.184 120.042 119.914 -0.093 0.000 2.380 905 V HA -0.336 3.782 4.120 -0.003 0.000 0.251 905 V C 2.636 178.716 176.094 -0.023 0.000 1.063 905 V CA 2.339 64.566 62.300 -0.121 0.000 1.055 905 V CB -1.228 30.356 31.823 -0.397 0.000 0.657 905 V HN 0.790 nan 8.190 nan 0.000 0.455 906 T N -2.525 112.046 114.554 0.029 0.000 2.978 906 T HA 0.068 4.416 4.350 -0.003 0.000 0.262 906 T C 1.764 176.517 174.700 0.088 0.000 1.063 906 T CA 0.776 62.934 62.100 0.096 0.000 1.140 906 T CB -0.295 68.680 68.868 0.178 0.000 0.886 906 T HN 0.379 nan 8.240 nan 0.000 0.470 907 I N 1.088 121.706 120.570 0.079 0.000 2.916 907 I HA -0.031 4.137 4.170 -0.003 0.000 0.267 907 I C 2.318 178.495 176.117 0.101 0.000 1.263 907 I CA 0.856 62.216 61.300 0.099 0.000 1.471 907 I CB -0.180 37.886 38.000 0.110 0.000 1.089 907 I HN 0.190 nan 8.210 nan 0.000 0.468 908 E N 0.160 120.414 120.200 0.091 0.000 2.250 908 E HA -0.007 4.341 4.350 -0.003 0.000 0.192 908 E C 2.094 178.798 176.600 0.173 0.000 0.986 908 E CA 0.701 57.185 56.400 0.140 0.000 0.849 908 E CB 0.063 29.814 29.700 0.085 0.000 0.797 908 E HN 0.347 nan 8.360 nan 0.000 0.482 909 M N -0.454 119.207 119.600 0.103 0.000 2.388 909 M HA -0.016 4.461 4.480 -0.003 0.000 0.265 909 M C 2.281 178.605 176.300 0.040 0.000 1.088 909 M CA 0.477 55.816 55.300 0.065 0.000 1.134 909 M CB -1.130 31.507 32.600 0.062 0.000 1.384 909 M HN 0.097 nan 8.290 nan 0.000 0.447 910 C N 0.914 120.250 119.300 0.060 0.000 2.462 910 C HA -0.096 4.362 4.460 -0.003 0.000 0.278 910 C C 2.573 177.584 174.990 0.035 0.000 1.253 910 C CA 1.064 60.108 59.018 0.042 0.000 1.713 910 C CB -1.227 26.545 27.740 0.055 0.000 2.049 910 C HN 0.578 nan 8.230 nan 0.000 0.477 911 N N 0.680 119.432 118.700 0.086 0.000 2.453 911 N HA -0.031 4.707 4.740 -0.003 0.000 0.183 911 N C 1.447 176.978 175.510 0.035 0.000 1.041 911 N CA 1.121 54.244 53.050 0.121 0.000 0.900 911 N CB -0.106 38.515 38.487 0.224 0.000 0.961 911 N HN 0.507 nan 8.380 nan 0.000 0.443 912 A N -0.517 122.251 122.820 -0.088 0.000 2.067 912 A HA 0.097 4.415 4.320 -0.003 0.000 0.217 912 A C 1.912 179.346 177.584 -0.249 0.000 1.156 912 A CA 0.511 52.285 52.037 -0.437 0.000 0.683 912 A CB -0.200 18.546 19.000 -0.423 0.000 0.808 912 A HN 0.290 nan 8.150 nan 0.000 0.455 913 L N -1.248 119.903 121.223 -0.121 0.000 2.249 913 L HA 0.011 4.349 4.340 -0.003 0.000 0.207 913 L C 1.870 178.692 176.870 -0.078 0.000 1.090 913 L CA 0.761 55.544 54.840 -0.096 0.000 0.802 913 L CB -0.437 41.581 42.059 -0.068 0.000 0.947 913 L HN 0.398 nan 8.230 nan 0.000 0.453 914 N N -0.627 118.045 118.700 -0.048 0.000 2.512 914 N HA -0.085 4.653 4.740 -0.003 0.000 0.183 914 N C 1.378 176.881 175.510 -0.012 0.000 1.073 914 N CA 0.421 53.459 53.050 -0.020 0.000 0.911 914 N CB 0.196 38.690 38.487 0.012 0.000 0.964 914 N HN 0.096 nan 8.380 nan 0.000 0.447 915 S N 0.214 115.888 115.700 -0.043 0.000 2.575 915 S HA 0.209 4.677 4.470 -0.003 0.000 0.215 915 S C 1.446 176.009 174.600 -0.063 0.000 0.966 915 S CA -0.142 58.033 58.200 -0.040 0.000 0.911 915 S CB 0.239 63.376 63.200 -0.105 0.000 0.780 915 S HN 0.288 nan 8.310 nan 0.000 0.514 916 L N 0.617 121.798 121.223 -0.071 0.000 2.376 916 L HA 0.125 4.463 4.340 -0.003 0.000 0.219 916 L C 0.891 177.736 176.870 -0.043 0.000 1.133 916 L CA 0.536 55.338 54.840 -0.064 0.000 0.816 916 L CB 0.195 42.205 42.059 -0.081 0.000 0.933 916 L HN 0.203 nan 8.230 nan 0.000 0.449 917 S N -1.929 113.752 115.700 -0.032 0.000 2.537 917 S HA 0.108 4.576 4.470 -0.003 0.000 0.271 917 S C 0.389 174.988 174.600 -0.001 0.000 1.148 917 S CA -0.731 57.458 58.200 -0.019 0.000 0.868 917 S CB 1.658 64.843 63.200 -0.025 0.000 1.115 917 S HN 0.204 nan 8.310 nan 0.000 0.461 918 E N 1.875 122.080 120.200 0.009 0.000 2.072 918 E HA -0.036 4.312 4.350 -0.003 0.000 0.190 918 E C 0.404 177.024 176.600 0.033 0.000 0.982 918 E CA 1.137 57.554 56.400 0.027 0.000 0.803 918 E CB 0.040 29.760 29.700 0.034 0.000 0.755 918 E HN 0.594 nan 8.360 nan 0.000 0.453 919 N N -0.244 118.470 118.700 0.023 0.000 2.143 919 N HA 0.039 4.777 4.740 -0.003 0.000 0.222 919 N C -0.776 174.738 175.510 0.007 0.000 1.264 919 N CA 0.026 53.091 53.050 0.025 0.000 0.897 919 N CB 0.930 39.426 38.487 0.015 0.000 1.092 919 N HN 0.018 nan 8.380 nan 0.000 0.516 920 Q N 0.767 120.565 119.800 -0.003 0.000 2.267 920 Q HA 0.198 4.536 4.340 -0.003 0.000 0.255 920 Q C 0.328 176.322 176.000 -0.010 0.000 0.923 920 Q CA 0.001 55.796 55.803 -0.013 0.000 0.925 920 Q CB 1.461 30.185 28.738 -0.023 0.000 1.195 920 Q HN 0.022 nan 8.270 nan 0.000 0.417 921 S N 1.583 117.283 115.700 0.000 0.000 2.572 921 S HA 0.070 4.538 4.470 -0.003 0.000 0.267 921 S C 1.309 175.888 174.600 -0.036 0.000 1.361 921 S CA -0.260 57.944 58.200 0.005 0.000 1.009 921 S CB 0.377 63.597 63.200 0.032 0.000 0.888 921 S HN 0.667 nan 8.310 nan 0.000 0.553 922 L N 2.795 123.988 121.223 -0.050 0.000 2.313 922 L HA 0.039 4.377 4.340 -0.003 0.000 0.214 922 L C 2.422 179.213 176.870 -0.131 0.000 1.119 922 L CA 0.746 55.521 54.840 -0.108 0.000 0.809 922 L CB -0.254 41.743 42.059 -0.103 0.000 0.933 922 L HN 0.789 nan 8.230 nan 0.000 0.449 923 M N -0.566 118.995 119.600 -0.065 0.000 2.156 923 M HA -0.207 4.271 4.480 -0.003 0.000 0.264 923 M C 2.423 178.698 176.300 -0.041 0.000 1.067 923 M CA 1.623 56.898 55.300 -0.041 0.000 1.131 923 M CB -0.030 32.573 32.600 0.005 0.000 1.368 923 M HN 0.060 nan 8.290 nan 0.000 0.416 924 R N 0.036 120.517 120.500 -0.033 0.000 2.115 924 R HA 0.008 4.346 4.340 -0.003 0.000 0.226 924 R C 0.426 176.693 176.300 -0.055 0.000 1.100 924 R CA 0.885 56.970 56.100 -0.025 0.000 0.980 924 R CB 0.154 30.446 30.300 -0.013 0.000 0.875 924 R HN 0.388 nan 8.270 nan 0.000 0.445 925 M N 1.994 121.535 119.600 -0.099 0.000 1.998 925 M HA 0.394 4.872 4.480 -0.003 0.000 0.289 925 M C -2.541 173.602 176.300 -0.263 0.000 0.886 925 M CA -2.412 52.805 55.300 -0.138 0.000 0.853 925 M CB 2.066 34.611 32.600 -0.092 0.000 1.462 925 M HN -0.180 nan 8.290 nan 0.000 0.375 926 P HA 0.149 nan 4.420 nan 0.000 0.269 926 P C -2.191 174.648 177.300 -0.769 0.000 1.215 926 P CA -0.808 61.744 63.100 -0.913 0.000 0.780 926 P CB 0.129 30.720 31.700 -1.848 0.000 0.898 927 P HA -0.152 nan 4.420 nan 0.000 0.218 927 P C 0.847 178.047 177.300 -0.167 0.000 1.149 927 P CA 1.576 64.497 63.100 -0.298 0.000 0.817 927 P CB -0.398 31.199 31.700 -0.171 0.000 0.785 928 W N -0.369 120.930 121.300 -0.001 0.000 2.632 928 W HA 0.067 4.725 4.660 -0.003 0.000 0.248 928 W C 1.449 177.969 176.519 0.001 0.000 1.259 928 W CA -0.204 57.137 57.345 -0.007 0.000 1.288 928 W CB -2.084 27.367 29.460 -0.015 0.000 1.136 928 W HN -0.286 nan 8.180 nan 0.000 0.640 929 V N 1.672 121.575 119.914 -0.019 0.000 2.490 929 V HA -0.233 3.885 4.120 -0.003 0.000 0.250 929 V C 0.914 177.065 176.094 0.094 0.000 1.061 929 V CA 2.082 64.411 62.300 0.047 0.000 1.064 929 V CB -0.781 31.008 31.823 -0.055 0.000 0.670 929 V HN 0.339 nan 8.190 nan 0.000 0.461 930 N N -0.341 118.409 118.700 0.084 0.000 2.564 930 N HA 0.277 5.015 4.740 -0.003 0.000 0.248 930 N C 0.431 176.020 175.510 0.131 0.000 0.986 930 N CA -0.160 52.979 53.050 0.148 0.000 0.921 930 N CB 1.273 39.842 38.487 0.137 0.000 1.136 930 N HN 0.184 nan 8.380 nan 0.000 0.509 931 I N 1.848 122.463 120.570 0.075 0.000 2.252 931 I HA -0.177 3.991 4.170 -0.003 0.000 0.245 931 I C 1.088 177.190 176.117 -0.026 0.000 1.102 931 I CA 0.959 62.231 61.300 -0.045 0.000 1.385 931 I CB -0.008 37.863 38.000 -0.216 0.000 1.064 931 I HN 0.547 nan 8.210 nan 0.000 0.414 932 W N 0.322 121.693 121.300 0.119 0.000 2.313 932 W HA -0.275 4.383 4.660 -0.003 0.000 0.293 932 W C 2.328 178.873 176.519 0.043 0.000 1.216 932 W CA 0.423 57.846 57.345 0.130 0.000 1.223 932 W CB -0.685 28.957 29.460 0.305 0.000 1.138 932 W HN 0.172 nan 8.180 nan 0.000 0.535 933 L N 0.325 121.688 121.223 0.233 0.000 1.988 933 L HA -0.145 4.193 4.340 -0.003 0.000 0.207 933 L C 2.195 179.100 176.870 0.058 0.000 1.071 933 L CA 1.883 56.774 54.840 0.086 0.000 0.744 933 L CB -1.220 40.858 42.059 0.032 0.000 0.893 933 L HN 0.007 nan 8.230 nan 0.000 0.433 934 L N -0.598 120.659 121.223 0.057 0.000 2.012 934 L HA -0.160 4.178 4.340 -0.003 0.000 0.210 934 L C 2.543 179.439 176.870 0.042 0.000 1.073 934 L CA 1.418 56.285 54.840 0.044 0.000 0.748 934 L CB -1.652 40.441 42.059 0.056 0.000 0.891 934 L HN 0.486 nan 8.230 nan 0.000 0.431 935 G N -0.207 108.619 108.800 0.044 0.000 2.432 935 G HA2 -0.274 3.683 3.960 -0.003 0.000 0.219 935 G HA3 -0.274 3.683 3.960 -0.003 0.000 0.219 935 G C 1.807 176.749 174.900 0.071 0.000 1.135 935 G CA 1.066 46.192 45.100 0.043 0.000 0.767 935 G HN 0.527 nan 8.290 nan 0.000 0.550 936 S N 0.080 115.832 115.700 0.087 0.000 2.414 936 S HA 0.108 4.576 4.470 -0.003 0.000 0.227 936 S C 2.281 176.910 174.600 0.047 0.000 1.022 936 S CA 0.453 58.694 58.200 0.068 0.000 0.958 936 S CB -0.239 62.988 63.200 0.045 0.000 0.797 936 S HN 0.286 nan 8.310 nan 0.000 0.493 937 I N 1.162 121.757 120.570 0.041 0.000 2.361 937 I HA -0.194 3.974 4.170 -0.003 0.000 0.251 937 I C 2.269 178.423 176.117 0.061 0.000 1.133 937 I CA 0.916 62.242 61.300 0.044 0.000 1.413 937 I CB -0.339 37.681 38.000 0.034 0.000 1.073 937 I HN 0.442 nan 8.210 nan 0.000 0.424 938 C N -0.267 119.066 119.300 0.054 0.000 2.476 938 C HA -0.114 4.344 4.460 -0.003 0.000 0.278 938 C C 2.627 177.663 174.990 0.077 0.000 1.274 938 C CA 0.098 59.148 59.018 0.055 0.000 1.713 938 C CB -0.873 26.885 27.740 0.029 0.000 2.039 938 C HN 0.485 nan 8.230 nan 0.000 0.484 939 L N 1.288 122.554 121.223 0.072 0.000 2.127 939 L HA -0.114 4.224 4.340 -0.003 0.000 0.211 939 L C 2.460 179.396 176.870 0.109 0.000 1.089 939 L CA 1.881 56.772 54.840 0.084 0.000 0.757 939 L CB -0.872 41.229 42.059 0.070 0.000 0.899 939 L HN 0.247 nan 8.230 nan 0.000 0.434 940 S N -1.133 114.625 115.700 0.096 0.000 2.355 940 S HA -0.134 4.334 4.470 -0.003 0.000 0.222 940 S C 1.899 176.621 174.600 0.204 0.000 1.031 940 S CA 1.522 59.787 58.200 0.110 0.000 0.993 940 S CB -0.202 63.038 63.200 0.067 0.000 0.859 940 S HN 0.362 nan 8.310 nan 0.000 0.453 941 M N 1.900 121.628 119.600 0.213 0.000 2.086 941 M HA -0.066 4.412 4.480 -0.003 0.000 0.261 941 M C 2.540 179.135 176.300 0.492 0.000 1.067 941 M CA 1.743 57.246 55.300 0.339 0.000 1.116 941 M CB -1.986 30.774 32.600 0.266 0.000 1.348 941 M HN 0.484 nan 8.290 nan 0.000 0.407 942 S N 0.150 116.042 115.700 0.321 0.000 2.368 942 S HA -0.110 4.358 4.470 -0.003 0.000 0.225 942 S C 2.118 176.924 174.600 0.343 0.000 1.030 942 S CA 1.030 59.407 58.200 0.296 0.000 0.999 942 S CB -1.012 62.265 63.200 0.127 0.000 0.844 942 S HN 0.492 nan 8.310 nan 0.000 0.459 943 L N 0.748 122.156 121.223 0.309 0.000 2.187 943 L HA -0.131 4.207 4.340 -0.003 0.000 0.213 943 L C 2.847 179.988 176.870 0.451 0.000 1.100 943 L CA 1.768 56.828 54.840 0.368 0.000 0.765 943 L CB -0.488 41.772 42.059 0.334 0.000 0.904 943 L HN 0.501 nan 8.230 nan 0.000 0.437 944 H N -0.935 118.314 119.070 0.298 0.000 2.403 944 H HA -0.119 4.435 4.556 -0.003 0.000 0.298 944 H C 1.879 177.224 175.328 0.028 0.000 1.059 944 H CA 1.424 57.571 56.048 0.165 0.000 1.363 944 H CB -0.124 29.720 29.762 0.136 0.000 1.410 944 H HN 0.187 nan 8.280 nan 0.000 0.528 945 F N -0.343 119.659 119.950 0.087 0.000 2.234 945 F HA -0.075 4.450 4.527 -0.003 0.000 0.299 945 F C 2.300 178.172 175.800 0.121 0.000 1.087 945 F CA 0.824 58.881 58.000 0.096 0.000 1.340 945 F CB -0.364 38.696 39.000 0.099 0.000 1.031 945 F HN 0.238 nan 8.300 nan 0.000 0.500 946 L N 1.309 122.671 121.223 0.231 0.000 1.970 946 L HA -0.183 4.155 4.340 -0.003 0.000 0.212 946 L C 2.000 178.864 176.870 -0.011 0.000 1.071 946 L CA 1.931 56.852 54.840 0.135 0.000 0.751 946 L CB -0.929 41.215 42.059 0.141 0.000 0.889 946 L HN 0.294 nan 8.230 nan 0.000 0.432 947 I N -2.952 117.489 120.570 -0.214 0.000 3.551 947 I HA -0.026 4.142 4.170 -0.003 0.000 0.307 947 I C 1.212 177.126 176.117 -0.337 0.000 1.215 947 I CA 0.650 61.697 61.300 -0.422 0.000 1.195 947 I CB -0.283 37.041 38.000 -1.127 0.000 0.998 947 I HN 0.301 nan 8.210 nan 0.000 0.510 948 L N -1.106 119.978 121.223 -0.233 0.000 2.663 948 L HA 0.174 4.512 4.340 -0.003 0.000 0.218 948 L C 1.470 178.124 176.870 -0.360 0.000 1.043 948 L CA 0.295 54.929 54.840 -0.343 0.000 0.876 948 L CB 0.018 41.790 42.059 -0.478 0.000 1.263 948 L HN 0.167 nan 8.230 nan 0.000 0.486 949 Y N -0.614 119.672 120.300 -0.024 0.000 2.497 949 Y HA 0.136 4.684 4.550 -0.003 0.000 0.265 949 Y C 1.422 177.333 175.900 0.018 0.000 1.111 949 Y CA -0.253 57.862 58.100 0.025 0.000 1.288 949 Y CB 0.172 38.681 38.460 0.082 0.000 1.082 949 Y HN -0.177 nan 8.280 nan 0.000 0.536 950 V N 0.727 120.712 119.914 0.119 0.000 3.950 950 V HA -0.119 3.999 4.120 -0.003 0.000 0.265 950 V C 0.936 177.059 176.094 0.049 0.000 0.909 950 V CA 0.857 63.207 62.300 0.083 0.000 0.910 950 V CB 0.353 32.215 31.823 0.065 0.000 1.213 950 V HN 0.204 nan 8.190 nan 0.000 0.409 951 D N -0.525 119.899 120.400 0.040 0.000 2.995 951 D HA 0.126 4.764 4.640 -0.003 0.000 0.289 951 D C -0.869 175.442 176.300 0.017 0.000 1.116 951 D CA 0.663 54.678 54.000 0.025 0.000 0.994 951 D CB -1.400 39.416 40.800 0.027 0.000 1.209 951 D HN 0.386 nan 8.370 nan 0.000 0.458 952 P HA 0.112 nan 4.420 nan 0.000 0.227 952 P C 1.720 179.032 177.300 0.020 0.000 1.161 952 P CA 0.548 63.655 63.100 0.012 0.000 0.788 952 P CB 0.266 31.974 31.700 0.014 0.000 0.822 953 L N -0.136 121.123 121.223 0.059 0.000 1.988 953 L HA -0.041 4.296 4.340 -0.003 0.000 0.207 953 L C -0.376 176.611 176.870 0.195 0.000 1.071 953 L CA 1.859 56.794 54.840 0.159 0.000 0.744 953 L CB -2.288 39.829 42.059 0.096 0.000 0.893 953 L HN -0.025 nan 8.230 nan 0.000 0.433 954 P HA -0.215 nan 4.420 nan 0.000 0.218 954 P C 1.751 179.055 177.300 0.008 0.000 1.146 954 P CA 1.622 64.720 63.100 -0.004 0.000 0.813 954 P CB -0.002 31.652 31.700 -0.075 0.000 0.778 955 M N -0.579 119.022 119.600 0.002 0.000 2.193 955 M HA -0.045 4.433 4.480 -0.003 0.000 0.265 955 M C 1.809 178.080 176.300 -0.049 0.000 1.071 955 M CA 1.692 56.977 55.300 -0.025 0.000 1.140 955 M CB -0.333 32.250 32.600 -0.027 0.000 1.369 955 M HN -0.137 nan 8.290 nan 0.000 0.423 956 I N -2.836 117.679 120.570 -0.092 0.000 2.928 956 I HA -0.066 4.102 4.170 -0.003 0.000 0.266 956 I C 0.765 176.673 176.117 -0.348 0.000 1.234 956 I CA 0.954 62.115 61.300 -0.232 0.000 1.483 956 I CB -0.507 37.290 38.000 -0.338 0.000 1.097 956 I HN 0.128 nan 8.210 nan 0.000 0.455 957 F N 1.691 121.582 119.950 -0.098 0.000 2.721 957 F HA 0.336 4.861 4.527 -0.003 0.000 0.301 957 F C 0.714 176.452 175.800 -0.103 0.000 1.096 957 F CA -0.359 57.577 58.000 -0.107 0.000 1.308 957 F CB 0.107 39.003 39.000 -0.174 0.000 1.086 957 F HN -0.067 nan 8.300 nan 0.000 0.587 958 K N 1.476 121.902 120.400 0.044 0.000 3.239 958 K HA -0.174 4.144 4.320 -0.003 0.000 0.270 958 K C -1.094 175.473 176.600 -0.054 0.000 1.049 958 K CA 0.249 56.524 56.287 -0.020 0.000 0.769 958 K CB -1.934 30.548 32.500 -0.030 0.000 1.305 958 K HN 0.262 nan 8.250 nan 0.000 0.469 959 L N 0.437 121.621 121.223 -0.065 0.000 2.410 959 L HA 0.458 4.796 4.340 -0.003 0.000 0.270 959 L C -0.286 176.474 176.870 -0.183 0.000 0.983 959 L CA -0.790 53.963 54.840 -0.145 0.000 0.822 959 L CB 2.131 44.092 42.059 -0.163 0.000 1.285 959 L HN 0.036 nan 8.230 nan 0.000 0.409 960 K N 2.427 122.690 120.400 -0.228 0.000 2.413 960 K HA 0.698 5.016 4.320 -0.003 0.000 0.257 960 K C -0.154 176.272 176.600 -0.289 0.000 0.946 960 K CA -0.513 55.636 56.287 -0.231 0.000 0.823 960 K CB 1.884 34.276 32.500 -0.181 0.000 1.109 960 K HN 0.716 nan 8.250 nan 0.000 0.427 961 A N 3.287 125.876 122.820 -0.385 0.000 2.639 961 A HA 0.073 4.391 4.320 -0.003 0.000 0.229 961 A C -0.263 177.192 177.584 -0.215 0.000 1.062 961 A CA 0.386 52.158 52.037 -0.442 0.000 0.761 961 A CB -0.382 18.129 19.000 -0.816 0.000 0.988 961 A HN 0.637 nan 8.150 nan 0.000 0.510 962 L N -0.084 121.059 121.223 -0.133 0.000 2.342 962 L HA 0.732 5.070 4.340 -0.003 0.000 0.271 962 L C -0.030 176.921 176.870 0.135 0.000 1.008 962 L CA -1.190 53.605 54.840 -0.075 0.000 0.818 962 L CB 1.239 43.142 42.059 -0.259 0.000 1.296 962 L HN 0.734 nan 8.230 nan 0.000 0.427 963 D N 1.120 121.619 120.400 0.165 0.000 2.352 963 D HA -0.035 4.603 4.640 -0.003 0.000 0.238 963 D C 0.955 177.454 176.300 0.332 0.000 1.286 963 D CA -0.121 54.025 54.000 0.244 0.000 0.923 963 D CB 0.657 41.572 40.800 0.190 0.000 1.146 963 D HN 0.749 nan 8.370 nan 0.000 0.471 964 L N -0.917 120.490 121.223 0.305 0.000 2.265 964 L HA -0.127 4.211 4.340 -0.003 0.000 0.215 964 L C 2.162 179.201 176.870 0.282 0.000 1.117 964 L CA 1.612 56.639 54.840 0.311 0.000 0.782 964 L CB -0.344 41.837 42.059 0.203 0.000 0.914 964 L HN 0.720 nan 8.230 nan 0.000 0.441 965 T N -1.964 112.734 114.554 0.239 0.000 2.976 965 T HA -0.124 4.224 4.350 -0.003 0.000 0.257 965 T C 1.729 176.570 174.700 0.234 0.000 1.051 965 T CA 0.952 63.182 62.100 0.218 0.000 1.141 965 T CB 0.025 69.013 68.868 0.200 0.000 0.881 965 T HN 0.452 nan 8.240 nan 0.000 0.461 966 Q N -0.817 119.129 119.800 0.242 0.000 2.291 966 Q HA -0.029 4.309 4.340 -0.003 0.000 0.205 966 Q C 1.701 177.733 176.000 0.054 0.000 0.970 966 Q CA 1.186 57.106 55.803 0.195 0.000 0.876 966 Q CB -0.117 28.724 28.738 0.172 0.000 0.935 966 Q HN 0.673 nan 8.270 nan 0.000 0.455 967 W N 0.223 121.591 121.300 0.114 0.000 2.476 967 W HA -0.002 4.656 4.660 -0.003 0.000 0.281 967 W C 1.503 178.060 176.519 0.063 0.000 1.230 967 W CA 0.439 57.841 57.345 0.095 0.000 1.287 967 W CB 0.263 29.804 29.460 0.136 0.000 1.108 967 W HN 0.084 nan 8.180 nan 0.000 0.567 968 L N -0.228 121.180 121.223 0.308 0.000 2.291 968 L HA -0.161 4.177 4.340 -0.003 0.000 0.214 968 L C 2.244 179.157 176.870 0.073 0.000 1.120 968 L CA 0.426 55.377 54.840 0.185 0.000 0.799 968 L CB -0.464 41.682 42.059 0.146 0.000 0.925 968 L HN 0.060 nan 8.230 nan 0.000 0.446 969 M N -0.419 119.174 119.600 -0.011 0.000 2.156 969 M HA -0.082 4.396 4.480 -0.003 0.000 0.264 969 M C 2.039 178.237 176.300 -0.170 0.000 1.067 969 M CA 1.732 56.896 55.300 -0.227 0.000 1.131 969 M CB -0.273 31.995 32.600 -0.553 0.000 1.368 969 M HN -0.070 nan 8.290 nan 0.000 0.416 970 V N 0.400 120.268 119.914 -0.077 0.000 2.332 970 V HA -0.287 3.831 4.120 -0.003 0.000 0.248 970 V C 2.424 178.563 176.094 0.075 0.000 1.055 970 V CA 1.871 64.153 62.300 -0.029 0.000 1.038 970 V CB -0.904 30.903 31.823 -0.026 0.000 0.651 970 V HN 0.517 nan 8.190 nan 0.000 0.450 971 L N -0.645 120.666 121.223 0.146 0.000 2.056 971 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 971 L C 2.519 179.433 176.870 0.073 0.000 1.078 971 L CA 1.505 56.426 54.840 0.135 0.000 0.749 971 L CB -0.605 41.544 42.059 0.149 0.000 0.901 971 L HN 0.248 nan 8.230 nan 0.000 0.433 972 K N 0.071 120.490 120.400 0.032 0.000 2.283 972 K HA -0.064 4.254 4.320 -0.003 0.000 0.202 972 K C 1.929 178.536 176.600 0.012 0.000 1.048 972 K CA 1.027 57.320 56.287 0.010 0.000 0.948 972 K CB 0.023 32.507 32.500 -0.028 0.000 0.742 972 K HN 0.351 nan 8.250 nan 0.000 0.458 973 I N 0.299 120.866 120.570 -0.006 0.000 2.385 973 I HA -0.214 3.954 4.170 -0.003 0.000 0.244 973 I C 2.568 178.755 176.117 0.117 0.000 1.089 973 I CA 0.703 62.007 61.300 0.007 0.000 1.410 973 I CB -0.399 37.552 38.000 -0.081 0.000 1.117 973 I HN 0.125 nan 8.210 nan 0.000 0.429 974 S N 2.295 118.056 115.700 0.101 0.000 2.380 974 S HA -0.171 4.297 4.470 -0.003 0.000 0.213 974 S C 2.077 176.764 174.600 0.144 0.000 1.037 974 S CA 0.943 59.232 58.200 0.148 0.000 1.034 974 S CB -1.250 62.020 63.200 0.116 0.000 1.022 974 S HN 0.327 nan 8.310 nan 0.000 0.418 975 L N 1.978 123.260 121.223 0.099 0.000 2.149 975 L HA -0.171 4.167 4.340 -0.003 0.000 0.223 975 L C -0.597 176.292 176.870 0.032 0.000 1.089 975 L CA 1.954 56.833 54.840 0.064 0.000 0.800 975 L CB -2.257 39.837 42.059 0.058 0.000 0.897 975 L HN 0.333 nan 8.230 nan 0.000 0.443 976 P HA -0.128 nan 4.420 nan 0.000 0.227 976 P C 1.751 178.958 177.300 -0.155 0.000 1.145 976 P CA 0.799 63.884 63.100 -0.025 0.000 0.769 976 P CB 0.026 31.746 31.700 0.032 0.000 0.769 977 V N -0.199 119.630 119.914 -0.143 0.000 2.295 977 V HA -0.244 3.874 4.120 -0.003 0.000 0.246 977 V C 2.183 178.194 176.094 -0.138 0.000 1.049 977 V CA 1.676 63.837 62.300 -0.231 0.000 1.024 977 V CB -0.986 30.811 31.823 -0.042 0.000 0.648 977 V HN 0.130 nan 8.190 nan 0.000 0.447 978 I N 0.659 121.191 120.570 -0.063 0.000 2.530 978 I HA -0.165 4.002 4.170 -0.003 0.000 0.257 978 I C 2.327 178.414 176.117 -0.050 0.000 1.179 978 I CA 1.446 62.721 61.300 -0.041 0.000 1.440 978 I CB -0.833 37.155 38.000 -0.019 0.000 1.087 978 I HN 0.407 nan 8.210 nan 0.000 0.440 979 G N 1.155 109.912 108.800 -0.072 0.000 2.437 979 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.212 979 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.212 979 G C 1.593 176.450 174.900 -0.072 0.000 1.174 979 G CA 0.139 45.202 45.100 -0.062 0.000 0.811 979 G HN 0.291 nan 8.290 nan 0.000 0.537 980 L N 0.771 121.911 121.223 -0.138 0.000 2.127 980 L HA -0.024 4.314 4.340 -0.003 0.000 0.211 980 L C 1.922 178.749 176.870 -0.072 0.000 1.089 980 L CA 2.609 57.364 54.840 -0.140 0.000 0.757 980 L CB -0.348 41.531 42.059 -0.300 0.000 0.899 980 L HN 0.224 nan 8.230 nan 0.000 0.434 981 D N -1.415 118.943 120.400 -0.070 0.000 2.216 981 D HA -0.116 4.521 4.640 -0.003 0.000 0.208 981 D C 2.007 178.324 176.300 0.029 0.000 0.960 981 D CA 0.466 54.450 54.000 -0.027 0.000 0.861 981 D CB 0.125 40.903 40.800 -0.037 0.000 0.985 981 D HN 0.253 nan 8.370 nan 0.000 0.493 982 E N 0.309 120.521 120.200 0.018 0.000 2.085 982 E HA -0.150 4.198 4.350 -0.003 0.000 0.194 982 E C 2.288 178.951 176.600 0.106 0.000 0.994 982 E CA 0.598 57.028 56.400 0.050 0.000 0.801 982 E CB -0.214 29.498 29.700 0.021 0.000 0.743 982 E HN 0.481 nan 8.360 nan 0.000 0.453 983 I N 0.543 121.162 120.570 0.082 0.000 2.315 983 I HA -0.252 3.916 4.170 -0.003 0.000 0.248 983 I C 2.349 178.616 176.117 0.250 0.000 1.117 983 I CA 0.751 62.124 61.300 0.122 0.000 1.404 983 I CB -0.200 37.839 38.000 0.065 0.000 1.071 983 I HN 0.060 nan 8.210 nan 0.000 0.419 984 L N 0.307 121.671 121.223 0.236 0.000 2.217 984 L HA -0.166 4.172 4.340 -0.003 0.000 0.211 984 L C 2.454 179.586 176.870 0.437 0.000 1.107 984 L CA 1.238 56.312 54.840 0.390 0.000 0.783 984 L CB -0.443 41.750 42.059 0.222 0.000 0.919 984 L HN 0.201 nan 8.230 nan 0.000 0.442 985 K N -0.468 120.094 120.400 0.270 0.000 2.062 985 K HA -0.155 4.163 4.320 -0.003 0.000 0.205 985 K C 2.042 178.746 176.600 0.173 0.000 1.051 985 K CA 1.164 57.575 56.287 0.206 0.000 0.941 985 K CB -0.167 32.407 32.500 0.125 0.000 0.719 985 K HN 0.067 nan 8.250 nan 0.000 0.440 986 F N 2.028 122.018 119.950 0.065 0.000 2.161 986 F HA -0.265 4.260 4.527 -0.003 0.000 0.300 986 F C 1.741 177.545 175.800 0.006 0.000 1.089 986 F CA 1.091 59.106 58.000 0.025 0.000 1.282 986 F CB 0.028 39.054 39.000 0.044 0.000 1.010 986 F HN -0.120 nan 8.300 nan 0.000 0.485 987 I N 1.080 121.803 120.570 0.256 0.000 2.058 987 I HA -0.307 3.861 4.170 -0.003 0.000 0.235 987 I C 2.894 178.849 176.117 -0.271 0.000 1.053 987 I CA 1.533 62.863 61.300 0.051 0.000 1.313 987 I CB -2.159 35.866 38.000 0.042 0.000 1.039 987 I HN 0.219 nan 8.210 nan 0.000 0.396 988 A N 0.884 123.498 122.820 -0.344 0.000 1.909 988 A HA -0.299 4.019 4.320 -0.003 0.000 0.221 988 A C 2.501 179.921 177.584 -0.273 0.000 1.223 988 A CA 2.419 54.216 52.037 -0.400 0.000 0.658 988 A CB -0.806 18.132 19.000 -0.104 0.000 0.831 988 A HN 0.417 nan 8.150 nan 0.000 0.462 989 R N -0.587 119.770 120.500 -0.237 0.000 2.092 989 R HA -0.125 4.213 4.340 -0.003 0.000 0.226 989 R C 1.961 178.030 176.300 -0.384 0.000 1.140 989 R CA 1.624 57.562 56.100 -0.271 0.000 0.910 989 R CB -0.709 29.429 30.300 -0.271 0.000 0.822 989 R HN 0.656 nan 8.270 nan 0.000 0.433 990 N N -0.091 118.240 118.700 -0.614 0.000 2.023 990 N HA -0.140 4.598 4.740 -0.003 0.000 0.177 990 N C -0.196 174.977 175.510 -0.562 0.000 1.114 990 N CA 0.916 53.513 53.050 -0.756 0.000 0.940 990 N CB -0.624 37.087 38.487 -1.293 0.000 1.016 990 N HN 0.108 nan 8.380 nan 0.000 0.429 991 Y N 1.169 121.313 120.300 -0.261 0.000 2.853 991 Y HA 0.286 4.834 4.550 -0.003 0.000 0.365 991 Y C 0.347 176.090 175.900 -0.262 0.000 1.310 991 Y CA 0.065 58.046 58.100 -0.199 0.000 1.703 991 Y CB -0.791 37.586 38.460 -0.139 0.000 1.238 991 Y HN 0.208 nan 8.280 nan 0.000 0.510 992 L N 1.202 122.358 121.223 -0.112 0.000 3.146 992 L HA 0.144 4.482 4.340 -0.003 0.000 0.284 992 L C -1.059 175.732 176.870 -0.132 0.000 0.898 992 L CA -0.838 53.896 54.840 -0.176 0.000 1.074 992 L CB 0.710 42.578 42.059 -0.318 0.000 1.657 992 L HN 0.301 nan 8.230 nan 0.000 0.377 993 E N 2.003 122.133 120.200 -0.115 0.000 2.614 993 E HA 0.537 4.885 4.350 -0.003 0.000 0.321 993 E C 0.507 177.060 176.600 -0.079 0.000 1.354 993 E CA 1.176 57.530 56.400 -0.077 0.000 1.469 993 E CB -0.861 28.811 29.700 -0.048 0.000 1.197 993 E HN 1.044 nan 8.360 nan 0.000 0.497 994 G N 0.000 108.739 108.800 -0.101 0.000 5.446 994 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 994 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 994 G CA 0.000 45.040 45.100 -0.100 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925