REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2c9m_1_B 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 0.000 176.179 176.300 -0.201 0.000 1.140 1 M CA 0.000 55.053 55.300 -0.412 0.000 0.988 1 M CB 0.000 32.480 32.600 -0.200 0.000 1.302 2 E N 2.051 122.189 120.200 -0.104 0.000 2.425 2 E HA 0.600 4.951 4.350 0.001 0.000 0.258 2 E C 0.849 177.430 176.600 -0.033 0.000 1.151 2 E CA 1.505 57.890 56.400 -0.025 0.000 0.958 2 E CB 0.744 30.456 29.700 0.019 0.000 0.968 2 E HN 1.060 nan 8.360 nan 0.000 0.451 3 A N 1.807 124.661 122.820 0.056 0.000 2.745 3 A HA -0.182 4.138 4.320 0.001 0.000 0.296 3 A C 1.220 178.735 177.584 -0.115 0.000 1.500 3 A CA 1.480 53.544 52.037 0.045 0.000 0.766 3 A CB -2.286 16.706 19.000 -0.014 0.000 1.030 3 A HN 1.049 nan 8.150 nan 0.000 0.489 4 A N -0.008 122.788 122.820 -0.041 0.000 2.208 4 A HA 0.155 4.475 4.320 0.001 0.000 0.209 4 A C 1.607 179.148 177.584 -0.073 0.000 1.161 4 A CA 1.284 53.270 52.037 -0.084 0.000 0.782 4 A CB -0.695 18.270 19.000 -0.059 0.000 0.816 4 A HN 1.401 nan 8.150 nan 0.000 0.477 5 H N -0.739 118.309 119.070 -0.038 0.000 2.547 5 H HA 0.038 4.595 4.556 0.001 0.000 0.272 5 H C 1.176 176.498 175.328 -0.011 0.000 0.989 5 H CA 1.368 57.395 56.048 -0.035 0.000 1.214 5 H CB -0.238 29.513 29.762 -0.018 0.000 1.389 5 H HN 0.477 nan 8.280 nan 0.000 0.577 6 S N -0.311 114.986 115.700 -0.671 0.000 2.568 6 S HA 0.297 4.768 4.470 0.001 0.000 0.232 6 S C 0.159 174.639 174.600 -0.200 0.000 0.975 6 S CA -0.781 57.158 58.200 -0.435 0.000 0.949 6 S CB 0.366 63.235 63.200 -0.551 0.000 0.829 6 S HN 0.221 nan 8.310 nan 0.000 0.479 7 K N 2.003 122.314 120.400 -0.149 0.000 2.318 7 K HA 0.537 4.858 4.320 0.001 0.000 0.249 7 K C -0.067 176.510 176.600 -0.039 0.000 0.942 7 K CA -0.577 55.662 56.287 -0.079 0.000 0.808 7 K CB 1.893 34.345 32.500 -0.079 0.000 1.189 7 K HN 0.296 nan 8.250 nan 0.000 0.428 8 S N -0.196 115.493 115.700 -0.018 0.000 2.572 8 S HA -0.073 4.397 4.470 0.001 0.000 0.267 8 S C 1.443 176.045 174.600 0.003 0.000 1.361 8 S CA 0.322 58.521 58.200 -0.002 0.000 1.009 8 S CB 0.676 63.877 63.200 0.002 0.000 0.888 8 S HN 0.785 nan 8.310 nan 0.000 0.553 9 T N -1.289 113.269 114.554 0.007 0.000 2.833 9 T HA -0.095 4.256 4.350 0.001 0.000 0.269 9 T C 1.397 176.111 174.700 0.022 0.000 1.054 9 T CA 1.150 63.255 62.100 0.008 0.000 1.135 9 T CB -0.521 68.348 68.868 0.001 0.000 0.869 9 T HN 0.649 nan 8.240 nan 0.000 0.466 10 E N 1.633 121.845 120.200 0.021 0.000 2.028 10 E HA -0.107 4.243 4.350 0.001 0.000 0.191 10 E C 2.306 178.932 176.600 0.043 0.000 0.988 10 E CA 1.250 57.667 56.400 0.029 0.000 0.799 10 E CB -0.343 29.369 29.700 0.020 0.000 0.755 10 E HN 0.719 nan 8.360 nan 0.000 0.447 11 E N -0.024 120.197 120.200 0.034 0.000 2.219 11 E HA -0.193 4.158 4.350 0.001 0.000 0.198 11 E C 2.119 178.766 176.600 0.078 0.000 0.998 11 E CA 1.197 57.624 56.400 0.045 0.000 0.818 11 E CB -0.103 29.610 29.700 0.022 0.000 0.741 11 E HN 0.247 nan 8.360 nan 0.000 0.477 12 C N -0.066 119.281 119.300 0.078 0.000 2.538 12 C HA 0.051 4.512 4.460 0.001 0.000 0.281 12 C C 2.489 177.629 174.990 0.249 0.000 1.320 12 C CA -0.119 58.985 59.018 0.143 0.000 1.714 12 C CB -0.737 27.069 27.740 0.109 0.000 2.095 12 C HN 0.398 nan 8.230 nan 0.000 0.497 13 L N 1.337 122.657 121.223 0.163 0.000 2.127 13 L HA -0.190 4.151 4.340 0.001 0.000 0.211 13 L C 2.790 179.760 176.870 0.167 0.000 1.089 13 L CA 1.544 56.481 54.840 0.162 0.000 0.757 13 L CB -0.681 41.429 42.059 0.085 0.000 0.899 13 L HN 0.402 nan 8.230 nan 0.000 0.434 14 A N -0.621 122.273 122.820 0.124 0.000 1.840 14 A HA -0.270 4.051 4.320 0.001 0.000 0.214 14 A C 2.102 179.725 177.584 0.064 0.000 1.198 14 A CA 1.065 53.149 52.037 0.079 0.000 0.608 14 A CB -1.076 17.955 19.000 0.050 0.000 0.839 14 A HN 0.393 nan 8.150 nan 0.000 0.443 15 Y N -0.804 119.432 120.300 -0.107 0.000 2.405 15 Y HA -0.248 4.303 4.550 0.001 0.000 0.282 15 Y C 1.097 176.676 175.900 -0.535 0.000 1.182 15 Y CA 1.741 59.648 58.100 -0.322 0.000 1.312 15 Y CB -0.277 37.922 38.460 -0.434 0.000 0.971 15 Y HN 0.314 nan 8.280 nan 0.000 0.560 16 F N -1.853 118.212 119.950 0.193 0.000 2.746 16 F HA 0.315 4.843 4.527 0.001 0.000 0.320 16 F C 1.737 177.611 175.800 0.122 0.000 1.097 16 F CA 0.211 58.295 58.000 0.139 0.000 1.195 16 F CB 0.374 39.403 39.000 0.048 0.000 1.056 16 F HN -0.106 nan 8.300 nan 0.000 0.562 17 G N 2.181 111.102 108.800 0.202 0.000 2.361 17 G HA2 -0.268 3.692 3.960 0.001 0.000 0.294 17 G HA3 -0.268 3.692 3.960 0.001 0.000 0.294 17 G C -0.083 174.908 174.900 0.152 0.000 1.004 17 G CA 0.646 45.830 45.100 0.140 0.000 0.870 17 G HN 0.349 nan 8.290 nan 0.000 0.510 18 V N 0.423 120.442 119.914 0.175 0.000 2.483 18 V HA 0.802 4.923 4.120 0.001 0.000 0.295 18 V C 0.626 176.771 176.094 0.086 0.000 1.035 18 V CA 0.030 62.408 62.300 0.130 0.000 0.896 18 V CB 1.842 33.740 31.823 0.125 0.000 0.986 18 V HN 1.086 nan 8.190 nan 0.000 0.447 19 S N 3.766 119.504 115.700 0.064 0.000 2.489 19 S HA 0.276 4.747 4.470 0.001 0.000 0.277 19 S C 0.730 175.347 174.600 0.028 0.000 1.230 19 S CA 0.087 58.313 58.200 0.043 0.000 1.053 19 S CB 1.115 64.339 63.200 0.040 0.000 0.955 19 S HN 1.022 nan 8.310 nan 0.000 0.488 20 E N 1.852 122.056 120.200 0.007 0.000 2.516 20 E HA -0.126 4.224 4.350 0.001 0.000 0.199 20 E C 1.259 177.833 176.600 -0.044 0.000 1.069 20 E CA 1.083 57.466 56.400 -0.029 0.000 0.876 20 E CB -0.567 29.106 29.700 -0.047 0.000 0.843 20 E HN 0.844 nan 8.360 nan 0.000 0.530 21 T N -1.954 112.597 114.554 -0.006 0.000 2.978 21 T HA -0.058 4.293 4.350 0.001 0.000 0.262 21 T C 1.889 176.624 174.700 0.059 0.000 1.063 21 T CA 1.121 63.227 62.100 0.009 0.000 1.140 21 T CB -0.088 68.791 68.868 0.018 0.000 0.886 21 T HN 0.259 nan 8.240 nan 0.000 0.470 22 T N -2.274 112.321 114.554 0.067 0.000 3.144 22 T HA 0.561 4.912 4.350 0.001 0.000 0.290 22 T C 1.243 176.006 174.700 0.105 0.000 0.966 22 T CA 0.320 62.480 62.100 0.101 0.000 0.907 22 T CB -0.096 68.815 68.868 0.071 0.000 1.152 22 T HN 0.894 nan 8.240 nan 0.000 0.532 23 G N 2.233 111.084 108.800 0.084 0.000 2.622 23 G HA2 -0.124 3.836 3.960 0.001 0.000 0.272 23 G HA3 -0.124 3.836 3.960 0.001 0.000 0.272 23 G C -0.241 174.703 174.900 0.073 0.000 1.308 23 G CA -0.212 44.933 45.100 0.075 0.000 0.919 23 G HN 0.533 nan 8.290 nan 0.000 0.565 24 L N 0.693 121.958 121.223 0.071 0.000 2.367 24 L HA 0.547 4.887 4.340 0.001 0.000 0.215 24 L C 1.681 178.598 176.870 0.078 0.000 1.197 24 L CA 1.318 56.212 54.840 0.091 0.000 0.836 24 L CB -0.027 42.095 42.059 0.105 0.000 1.242 24 L HN 1.373 nan 8.230 nan 0.000 0.553 25 T N -3.745 110.856 114.554 0.079 0.000 2.903 25 T HA 0.459 4.810 4.350 0.001 0.000 0.299 25 T C -2.154 172.570 174.700 0.040 0.000 1.093 25 T CA -1.535 60.596 62.100 0.052 0.000 1.002 25 T CB 1.859 70.753 68.868 0.044 0.000 1.127 25 T HN 0.389 nan 8.240 nan 0.000 0.488 26 P HA -0.297 nan 4.420 nan 0.000 0.216 26 P C 1.171 178.476 177.300 0.009 0.000 1.151 26 P CA 2.187 65.298 63.100 0.018 0.000 0.953 26 P CB -0.140 31.568 31.700 0.013 0.000 0.789 27 D N -0.326 120.073 120.400 -0.002 0.000 2.218 27 D HA -0.199 4.441 4.640 0.001 0.000 0.204 27 D C 2.034 178.300 176.300 -0.056 0.000 0.976 27 D CA 1.071 55.057 54.000 -0.023 0.000 0.853 27 D CB -0.896 39.890 40.800 -0.024 0.000 0.939 27 D HN 0.367 nan 8.370 nan 0.000 0.481 28 Q N 0.459 120.233 119.800 -0.042 0.000 2.079 28 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 28 Q C 2.658 178.615 176.000 -0.071 0.000 0.974 28 Q CA 1.058 56.794 55.803 -0.111 0.000 0.840 28 Q CB 0.084 28.858 28.738 0.060 0.000 0.898 28 Q HN 0.230 nan 8.270 nan 0.000 0.430 29 V N 1.521 121.462 119.914 0.046 0.000 2.220 29 V HA -0.316 3.805 4.120 0.001 0.000 0.246 29 V C 2.036 178.150 176.094 0.033 0.000 1.049 29 V CA 2.115 64.462 62.300 0.078 0.000 1.003 29 V CB -0.650 31.202 31.823 0.047 0.000 0.634 29 V HN 0.324 nan 8.190 nan 0.000 0.444 30 K N -0.135 120.263 120.400 -0.003 0.000 2.113 30 K HA -0.242 4.079 4.320 0.001 0.000 0.208 30 K C 2.376 178.956 176.600 -0.033 0.000 1.047 30 K CA 1.768 58.046 56.287 -0.015 0.000 0.928 30 K CB -0.303 32.189 32.500 -0.014 0.000 0.716 30 K HN 0.339 nan 8.250 nan 0.000 0.446 31 R N 0.538 120.987 120.500 -0.085 0.000 2.075 31 R HA -0.146 4.194 4.340 0.001 0.000 0.230 31 R C 2.336 178.590 176.300 -0.077 0.000 1.140 31 R CA 1.612 57.630 56.100 -0.138 0.000 0.928 31 R CB -0.197 29.945 30.300 -0.264 0.000 0.834 31 R HN 0.343 nan 8.270 nan 0.000 0.429 32 H N 0.473 119.617 119.070 0.124 0.000 2.387 32 H HA -0.158 4.398 4.556 0.001 0.000 0.299 32 H C 2.059 177.536 175.328 0.248 0.000 1.099 32 H CA 1.383 57.601 56.048 0.283 0.000 1.315 32 H CB -0.390 29.588 29.762 0.361 0.000 1.380 32 H HN 0.178 nan 8.280 nan 0.000 0.513 33 L N 1.578 122.920 121.223 0.197 0.000 1.971 33 L HA -0.189 4.151 4.340 0.001 0.000 0.215 33 L C 2.196 179.082 176.870 0.028 0.000 1.072 33 L CA 1.821 56.689 54.840 0.046 0.000 0.758 33 L CB -0.745 41.264 42.059 -0.084 0.000 0.889 33 L HN 0.173 nan 8.230 nan 0.000 0.433 34 E N -0.761 119.440 120.200 0.001 0.000 2.118 34 E HA -0.300 4.051 4.350 0.001 0.000 0.195 34 E C 2.149 178.720 176.600 -0.049 0.000 0.992 34 E CA 1.470 57.861 56.400 -0.014 0.000 0.804 34 E CB -0.138 29.548 29.700 -0.024 0.000 0.741 34 E HN 0.459 nan 8.360 nan 0.000 0.458 35 K N -0.263 120.063 120.400 -0.124 0.000 2.288 35 K HA -0.116 4.205 4.320 0.001 0.000 0.201 35 K C 0.703 177.056 176.600 -0.413 0.000 1.048 35 K CA 1.056 57.136 56.287 -0.344 0.000 0.956 35 K CB 0.230 32.376 32.500 -0.590 0.000 0.746 35 K HN 0.146 nan 8.250 nan 0.000 0.461 36 Y N -0.941 119.405 120.300 0.076 0.000 2.499 36 Y HA 0.321 4.871 4.550 0.001 0.000 0.253 36 Y C 0.721 176.647 175.900 0.044 0.000 1.105 36 Y CA -0.119 58.021 58.100 0.068 0.000 1.240 36 Y CB 1.159 39.668 38.460 0.082 0.000 1.289 36 Y HN 0.166 nan 8.280 nan 0.000 0.534 37 G N 0.518 109.409 108.800 0.151 0.000 2.782 37 G HA2 -0.251 3.710 3.960 0.001 0.000 0.228 37 G HA3 -0.251 3.710 3.960 0.001 0.000 0.228 37 G C -0.952 173.986 174.900 0.064 0.000 1.372 37 G CA -0.664 44.506 45.100 0.117 0.000 0.862 37 G HN 0.390 nan 8.290 nan 0.000 0.547 38 H N -0.369 118.743 119.070 0.071 0.000 2.547 38 H HA 0.424 4.981 4.556 0.001 0.000 0.362 38 H C 1.058 176.412 175.328 0.044 0.000 1.181 38 H CA 0.359 56.440 56.048 0.054 0.000 1.376 38 H CB 0.732 30.515 29.762 0.034 0.000 1.488 38 H HN 0.656 nan 8.280 nan 0.000 0.583 39 N N 2.217 121.002 118.700 0.142 0.000 2.744 39 N HA -0.005 4.736 4.740 0.001 0.000 0.290 39 N C -1.082 174.477 175.510 0.081 0.000 1.206 39 N CA 0.298 53.396 53.050 0.080 0.000 1.119 39 N CB -0.143 38.371 38.487 0.045 0.000 1.449 39 N HN 0.585 nan 8.380 nan 0.000 0.514 40 E N 0.497 120.744 120.200 0.079 0.000 2.394 40 E HA 0.352 4.703 4.350 0.001 0.000 0.266 40 E C -1.118 175.508 176.600 0.043 0.000 1.065 40 E CA -0.874 55.557 56.400 0.052 0.000 0.885 40 E CB 0.875 30.599 29.700 0.040 0.000 1.659 40 E HN 0.074 nan 8.360 nan 0.000 0.462 41 L N 2.346 123.583 121.223 0.024 0.000 2.313 41 L HA 0.456 4.797 4.340 0.001 0.000 0.283 41 L C -2.146 174.731 176.870 0.011 0.000 1.013 41 L CA -1.849 53.003 54.840 0.020 0.000 0.816 41 L CB 1.075 43.142 42.059 0.013 0.000 1.236 41 L HN 0.313 nan 8.230 nan 0.000 0.419 42 P HA 0.168 nan 4.420 nan 0.000 0.279 42 P C -0.338 176.964 177.300 0.004 0.000 1.318 42 P CA -0.325 62.783 63.100 0.013 0.000 0.819 42 P CB 1.213 32.929 31.700 0.026 0.000 0.927 43 A N 3.666 126.481 122.820 -0.009 0.000 2.535 43 A HA -0.003 4.318 4.320 0.001 0.000 0.290 43 A C 0.946 178.527 177.584 -0.004 0.000 1.270 43 A CA -0.025 52.005 52.037 -0.012 0.000 0.937 43 A CB -0.559 18.425 19.000 -0.027 0.000 1.096 43 A HN 0.596 nan 8.150 nan 0.000 0.534 44 E N 3.008 123.211 120.200 0.004 0.000 2.338 44 E HA 0.019 4.369 4.350 0.001 0.000 0.231 44 E C -0.410 176.196 176.600 0.011 0.000 1.231 44 E CA -0.222 56.184 56.400 0.009 0.000 1.490 44 E CB -0.127 29.582 29.700 0.015 0.000 1.360 44 E HN 0.682 nan 8.360 nan 0.000 0.435 45 E N 0.227 120.431 120.200 0.006 0.000 2.708 45 E HA -0.066 4.285 4.350 0.001 0.000 0.260 45 E C 0.279 176.890 176.600 0.018 0.000 0.937 45 E CA 0.480 56.886 56.400 0.009 0.000 0.953 45 E CB 0.412 30.113 29.700 0.002 0.000 0.915 45 E HN 0.309 nan 8.360 nan 0.000 0.487 46 G N 3.097 111.911 108.800 0.023 0.000 2.390 46 G HA2 0.154 4.114 3.960 0.001 0.000 0.270 46 G HA3 0.154 4.114 3.960 0.001 0.000 0.270 46 G C -0.203 174.722 174.900 0.043 0.000 1.211 46 G CA -0.666 44.453 45.100 0.031 0.000 0.842 46 G HN 0.297 nan 8.290 nan 0.000 0.519 47 K N 1.783 122.215 120.400 0.054 0.000 2.543 47 K HA -0.001 4.320 4.320 0.001 0.000 0.279 47 K C 1.389 178.041 176.600 0.087 0.000 1.001 47 K CA 0.356 56.690 56.287 0.078 0.000 1.088 47 K CB 0.229 32.781 32.500 0.087 0.000 0.863 47 K HN 0.672 nan 8.250 nan 0.000 0.488 48 S N 2.475 118.243 115.700 0.112 0.000 2.650 48 S HA -0.055 4.415 4.470 0.001 0.000 0.251 48 S C 1.133 175.819 174.600 0.143 0.000 1.325 48 S CA -0.456 57.819 58.200 0.124 0.000 0.967 48 S CB 0.230 63.521 63.200 0.151 0.000 1.000 48 S HN 0.611 nan 8.310 nan 0.000 0.584 49 L N 0.026 121.338 121.223 0.147 0.000 2.362 49 L HA 0.100 4.441 4.340 0.001 0.000 0.219 49 L C 1.921 178.880 176.870 0.148 0.000 1.134 49 L CA 1.222 56.131 54.840 0.115 0.000 0.807 49 L CB -0.774 41.344 42.059 0.097 0.000 0.927 49 L HN 0.791 nan 8.230 nan 0.000 0.447 50 W N 0.818 122.139 121.300 0.035 0.000 2.408 50 W HA -0.116 4.545 4.660 0.001 0.000 0.311 50 W C 1.347 177.893 176.519 0.045 0.000 1.190 50 W CA 1.180 58.551 57.345 0.043 0.000 1.321 50 W CB -0.148 29.355 29.460 0.071 0.000 1.143 50 W HN 0.259 nan 8.180 nan 0.000 0.501 51 E N 1.202 121.636 120.200 0.390 0.000 2.424 51 E HA -0.005 4.346 4.350 0.001 0.000 0.237 51 E C 0.459 177.136 176.600 0.128 0.000 1.381 51 E CA 0.007 56.563 56.400 0.260 0.000 1.587 51 E CB -0.663 29.172 29.700 0.226 0.000 1.398 51 E HN 0.163 nan 8.360 nan 0.000 0.439 52 L N -0.405 120.861 121.223 0.072 0.000 3.902 52 L HA 0.120 4.461 4.340 0.001 0.000 0.375 52 L C -0.482 176.377 176.870 -0.018 0.000 1.252 52 L CA 0.163 55.026 54.840 0.037 0.000 1.221 52 L CB 1.400 43.486 42.059 0.045 0.000 1.484 52 L HN 0.072 nan 8.230 nan 0.000 0.620 53 V N -0.449 119.412 119.914 -0.087 0.000 3.623 53 V HA 0.278 4.398 4.120 0.001 0.000 0.283 53 V C 0.815 176.750 176.094 -0.265 0.000 1.643 53 V CA 0.170 62.348 62.300 -0.203 0.000 1.121 53 V CB 1.071 32.730 31.823 -0.274 0.000 0.933 53 V HN 0.134 nan 8.190 nan 0.000 0.420 54 I N -0.178 120.274 120.570 -0.195 0.000 3.789 54 I HA 0.200 4.371 4.170 0.001 0.000 0.263 54 I C 2.116 178.253 176.117 0.034 0.000 1.013 54 I CA 0.791 61.989 61.300 -0.170 0.000 2.054 54 I CB -0.350 37.333 38.000 -0.528 0.000 1.612 54 I HN 0.232 nan 8.210 nan 0.000 0.449 55 E N 1.091 121.329 120.200 0.063 0.000 2.209 55 E HA -0.291 4.060 4.350 0.001 0.000 0.196 55 E C 1.866 178.512 176.600 0.077 0.000 0.993 55 E CA 1.570 58.030 56.400 0.099 0.000 0.819 55 E CB 0.158 29.942 29.700 0.140 0.000 0.745 55 E HN 0.439 nan 8.360 nan 0.000 0.477 56 Q N -1.095 118.753 119.800 0.081 0.000 2.356 56 Q HA -0.028 4.313 4.340 0.001 0.000 0.205 56 Q C 1.404 177.472 176.000 0.114 0.000 0.901 56 Q CA -0.003 55.846 55.803 0.077 0.000 0.938 56 Q CB 0.105 28.883 28.738 0.067 0.000 1.081 56 Q HN 0.277 nan 8.270 nan 0.000 0.517 57 F N 1.054 120.967 119.950 -0.062 0.000 2.220 57 F HA 0.111 4.639 4.527 0.001 0.000 0.290 57 F C 1.968 177.730 175.800 -0.064 0.000 1.080 57 F CA 1.482 59.436 58.000 -0.077 0.000 1.318 57 F CB -0.047 38.881 39.000 -0.120 0.000 1.063 57 F HN 0.122 nan 8.300 nan 0.000 0.498 58 E N 0.367 120.501 120.200 -0.111 0.000 2.047 58 E HA -0.246 4.105 4.350 0.001 0.000 0.191 58 E C 1.850 178.363 176.600 -0.145 0.000 0.987 58 E CA 1.567 57.845 56.400 -0.203 0.000 0.799 58 E CB -0.437 29.222 29.700 -0.067 0.000 0.752 58 E HN 0.539 nan 8.360 nan 0.000 0.449 59 D N 1.156 121.520 120.400 -0.059 0.000 2.221 59 D HA -0.219 4.421 4.640 0.001 0.000 0.204 59 D C 2.063 178.332 176.300 -0.052 0.000 0.982 59 D CA 1.015 54.995 54.000 -0.034 0.000 0.857 59 D CB -0.417 40.386 40.800 0.005 0.000 0.934 59 D HN 0.393 nan 8.370 nan 0.000 0.475 60 L N -0.784 120.390 121.223 -0.081 0.000 2.270 60 L HA 0.160 4.500 4.340 0.001 0.000 0.210 60 L C 2.099 178.894 176.870 -0.125 0.000 1.104 60 L CA 0.844 55.638 54.840 -0.078 0.000 0.804 60 L CB -0.482 41.542 42.059 -0.058 0.000 0.937 60 L HN -0.011 nan 8.230 nan 0.000 0.450 61 L N -0.128 120.962 121.223 -0.222 0.000 2.044 61 L HA -0.100 4.241 4.340 0.001 0.000 0.205 61 L C 2.604 179.388 176.870 -0.143 0.000 1.075 61 L CA 1.415 56.106 54.840 -0.249 0.000 0.747 61 L CB -0.871 40.949 42.059 -0.397 0.000 0.903 61 L HN 0.368 nan 8.230 nan 0.000 0.435 62 V N -2.977 116.869 119.914 -0.115 0.000 3.078 62 V HA -0.145 3.976 4.120 0.001 0.000 0.265 62 V C 2.357 178.430 176.094 -0.036 0.000 1.122 62 V CA 1.143 63.405 62.300 -0.063 0.000 1.141 62 V CB -0.768 31.029 31.823 -0.043 0.000 0.735 62 V HN 0.368 nan 8.190 nan 0.000 0.498 63 R N -0.087 120.390 120.500 -0.038 0.000 2.057 63 R HA 0.297 4.638 4.340 0.001 0.000 0.224 63 R C 2.357 178.652 176.300 -0.008 0.000 1.136 63 R CA 1.514 57.603 56.100 -0.019 0.000 0.968 63 R CB -0.266 30.023 30.300 -0.018 0.000 0.863 63 R HN 0.443 nan 8.270 nan 0.000 0.433 64 I N 1.339 121.904 120.570 -0.008 0.000 2.493 64 I HA -0.252 3.919 4.170 0.001 0.000 0.254 64 I C 2.293 178.460 176.117 0.085 0.000 1.160 64 I CA 0.612 61.932 61.300 0.034 0.000 1.445 64 I CB -0.015 38.014 38.000 0.049 0.000 1.086 64 I HN 0.139 nan 8.210 nan 0.000 0.433 65 L N 0.701 121.949 121.223 0.042 0.000 2.046 65 L HA -0.209 4.132 4.340 0.001 0.000 0.208 65 L C 2.257 179.164 176.870 0.061 0.000 1.077 65 L CA 1.707 56.583 54.840 0.059 0.000 0.747 65 L CB -0.527 41.521 42.059 -0.019 0.000 0.896 65 L HN 0.202 nan 8.230 nan 0.000 0.432 66 L N -1.039 120.199 121.223 0.026 0.000 2.046 66 L HA -0.198 4.143 4.340 0.001 0.000 0.208 66 L C 2.483 179.363 176.870 0.017 0.000 1.077 66 L CA 1.778 56.626 54.840 0.013 0.000 0.747 66 L CB -0.446 41.611 42.059 -0.003 0.000 0.896 66 L HN 0.485 nan 8.230 nan 0.000 0.432 67 L N 0.858 122.090 121.223 0.016 0.000 2.021 67 L HA -0.223 4.118 4.340 0.001 0.000 0.215 67 L C 2.563 179.431 176.870 -0.004 0.000 1.074 67 L CA 2.339 57.176 54.840 -0.004 0.000 0.760 67 L CB -1.296 40.758 42.059 -0.010 0.000 0.889 67 L HN 0.255 nan 8.230 nan 0.000 0.433 68 A N -0.301 122.539 122.820 0.035 0.000 1.940 68 A HA -0.068 4.253 4.320 0.001 0.000 0.219 68 A C 2.392 180.014 177.584 0.063 0.000 1.176 68 A CA 1.905 53.966 52.037 0.040 0.000 0.631 68 A CB -1.232 17.870 19.000 0.170 0.000 0.814 68 A HN 0.716 nan 8.150 nan 0.000 0.446 69 A N -2.072 120.793 122.820 0.075 0.000 2.206 69 A HA 0.085 4.405 4.320 0.001 0.000 0.211 69 A C 1.808 179.477 177.584 0.143 0.000 1.158 69 A CA 1.226 53.327 52.037 0.107 0.000 0.761 69 A CB -0.721 18.320 19.000 0.068 0.000 0.801 69 A HN 0.581 nan 8.150 nan 0.000 0.473 70 C N -1.602 117.726 119.300 0.046 0.000 2.912 70 C HA 0.387 4.848 4.460 0.001 0.000 0.274 70 C C 2.103 176.973 174.990 -0.200 0.000 1.248 70 C CA -0.060 58.947 59.018 -0.018 0.000 1.694 70 C CB -0.793 26.927 27.740 -0.034 0.000 2.024 70 C HN 0.644 nan 8.230 nan 0.000 0.605 71 I N -0.310 120.187 120.570 -0.122 0.000 2.927 71 I HA -0.051 4.119 4.170 0.001 0.000 0.268 71 I C 2.536 178.590 176.117 -0.106 0.000 1.153 71 I CA 0.599 61.815 61.300 -0.140 0.000 1.459 71 I CB -0.239 37.707 38.000 -0.091 0.000 1.149 71 I HN 0.219 nan 8.210 nan 0.000 0.443 72 S N 1.878 117.574 115.700 -0.006 0.000 2.444 72 S HA -0.287 4.184 4.470 0.001 0.000 0.225 72 S C 2.122 176.797 174.600 0.126 0.000 1.042 72 S CA 2.622 60.879 58.200 0.094 0.000 1.132 72 S CB -0.555 62.751 63.200 0.177 0.000 1.099 72 S HN 0.461 nan 8.310 nan 0.000 0.417 73 F N 1.833 121.860 119.950 0.128 0.000 2.126 73 F HA -0.008 4.520 4.527 0.001 0.000 0.299 73 F C 2.057 178.024 175.800 0.279 0.000 1.096 73 F CA 1.298 59.422 58.000 0.206 0.000 1.255 73 F CB -1.213 37.913 39.000 0.211 0.000 0.997 73 F HN 0.109 nan 8.300 nan 0.000 0.479 74 V N 2.403 121.753 119.914 -0.941 0.000 2.231 74 V HA -0.365 3.755 4.120 0.001 0.000 0.248 74 V C 2.771 178.882 176.094 0.028 0.000 1.054 74 V CA 2.427 64.331 62.300 -0.659 0.000 1.015 74 V CB -1.140 30.235 31.823 -0.747 0.000 0.638 74 V HN 0.629 nan 8.190 nan 0.000 0.444 75 L N 0.317 121.558 121.223 0.030 0.000 2.103 75 L HA -0.034 4.307 4.340 0.001 0.000 0.215 75 L C 1.057 178.128 176.870 0.335 0.000 1.080 75 L CA 2.175 57.107 54.840 0.154 0.000 0.764 75 L CB -1.085 41.021 42.059 0.078 0.000 0.890 75 L HN 0.258 nan 8.230 nan 0.000 0.435 76 A N -1.249 121.790 122.820 0.365 0.000 2.741 76 A HA 0.468 4.789 4.320 0.001 0.000 0.298 76 A C -0.144 177.663 177.584 0.371 0.000 1.153 76 A CA -0.172 52.051 52.037 0.310 0.000 0.816 76 A CB -0.621 18.342 19.000 -0.061 0.000 1.396 76 A HN 0.491 nan 8.150 nan 0.000 0.407 77 W N 1.812 123.319 121.300 0.345 0.000 3.256 77 W HA 0.438 5.098 4.660 0.001 0.000 0.269 77 W C 0.052 176.771 176.519 0.333 0.000 1.310 77 W CA -0.502 57.079 57.345 0.393 0.000 1.673 77 W CB -0.355 29.405 29.460 0.500 0.000 1.115 77 W HN 0.515 nan 8.180 nan 0.000 0.686 78 F N 1.407 121.190 119.950 -0.279 0.000 2.411 78 F HA 0.687 5.215 4.527 0.001 0.000 0.352 78 F C -0.004 175.712 175.800 -0.140 0.000 1.123 78 F CA -1.222 56.609 58.000 -0.282 0.000 1.044 78 F CB 0.929 39.622 39.000 -0.511 0.000 1.135 78 F HN -0.120 nan 8.300 nan 0.000 0.461 79 E N 2.813 122.917 120.200 -0.160 0.000 2.355 79 E HA 0.182 4.533 4.350 0.001 0.000 0.261 79 E C 0.232 176.781 176.600 -0.084 0.000 0.943 79 E CA -0.859 55.425 56.400 -0.194 0.000 0.806 79 E CB 1.819 31.456 29.700 -0.105 0.000 1.286 79 E HN 0.751 nan 8.360 nan 0.000 0.424 80 E N 0.495 120.648 120.200 -0.077 0.000 2.118 80 E HA -0.128 4.222 4.350 0.001 0.000 0.195 80 E C 0.886 177.475 176.600 -0.018 0.000 0.992 80 E CA 1.009 57.388 56.400 -0.034 0.000 0.804 80 E CB -0.075 29.603 29.700 -0.037 0.000 0.741 80 E HN 0.505 nan 8.360 nan 0.000 0.458 81 G N 1.710 110.497 108.800 -0.021 0.000 4.198 81 G HA2 0.042 4.002 3.960 0.001 0.000 0.282 81 G HA3 0.042 4.002 3.960 0.001 0.000 0.282 81 G C 0.422 175.318 174.900 -0.006 0.000 1.262 81 G CA -0.188 44.905 45.100 -0.011 0.000 1.473 81 G HN 0.076 nan 8.290 nan 0.000 0.624 82 E N 0.780 120.980 120.200 -0.000 0.000 3.663 82 E HA -0.336 4.015 4.350 0.001 0.000 0.457 82 E C 0.401 177.012 176.600 0.019 0.000 1.577 82 E CA 2.260 58.668 56.400 0.012 0.000 1.373 82 E CB -1.048 28.653 29.700 0.002 0.000 1.259 82 E HN 0.598 nan 8.360 nan 0.000 0.343 83 E N 1.924 122.123 120.200 -0.002 0.000 2.283 83 E HA 0.337 4.688 4.350 0.001 0.000 0.258 83 E C 0.468 177.080 176.600 0.021 0.000 0.893 83 E CA 0.163 56.574 56.400 0.018 0.000 0.798 83 E CB 1.205 30.862 29.700 -0.072 0.000 1.242 83 E HN 0.388 nan 8.360 nan 0.000 0.414 84 T N 0.315 114.902 114.554 0.054 0.000 2.996 84 T HA -0.068 4.283 4.350 0.001 0.000 0.271 84 T C 1.494 176.238 174.700 0.075 0.000 1.126 84 T CA 1.022 63.152 62.100 0.050 0.000 1.103 84 T CB -0.779 68.117 68.868 0.047 0.000 0.870 84 T HN 0.704 nan 8.240 nan 0.000 0.528 85 I N 0.163 120.811 120.570 0.130 0.000 5.196 85 I HA -0.277 3.894 4.170 0.001 0.000 0.164 85 I C 1.176 177.399 176.117 0.176 0.000 1.758 85 I CA 1.320 62.735 61.300 0.191 0.000 1.335 85 I CB -2.299 35.770 38.000 0.115 0.000 3.036 85 I HN 0.638 nan 8.210 nan 0.000 0.230 86 T N -2.661 111.974 114.554 0.134 0.000 3.215 86 T HA 0.749 5.100 4.350 0.001 0.000 0.271 86 T C 0.581 175.349 174.700 0.114 0.000 1.012 86 T CA 0.395 62.561 62.100 0.110 0.000 0.899 86 T CB 1.060 69.973 68.868 0.075 0.000 1.089 86 T HN 0.574 nan 8.240 nan 0.000 0.552 87 A N -0.294 122.617 122.820 0.152 0.000 2.709 87 A HA 0.471 4.791 4.320 0.001 0.000 0.212 87 A C 0.683 178.386 177.584 0.198 0.000 1.280 87 A CA -0.291 51.840 52.037 0.156 0.000 1.034 87 A CB -0.413 18.674 19.000 0.145 0.000 1.255 87 A HN 0.405 nan 8.150 nan 0.000 0.547 88 F N 0.807 120.780 119.950 0.039 0.000 2.500 88 F HA 0.145 4.673 4.527 0.001 0.000 0.285 88 F C 1.625 177.405 175.800 -0.033 0.000 1.088 88 F CA 1.599 59.575 58.000 -0.041 0.000 1.432 88 F CB 0.539 39.541 39.000 0.003 0.000 1.131 88 F HN 0.091 nan 8.300 nan 0.000 0.582 89 V N -2.203 117.667 119.914 -0.073 0.000 3.623 89 V HA 0.088 4.208 4.120 0.001 0.000 0.271 89 V C 1.840 177.958 176.094 0.040 0.000 1.248 89 V CA 0.848 63.161 62.300 0.022 0.000 1.156 89 V CB -0.621 31.273 31.823 0.118 0.000 0.870 89 V HN 0.337 nan 8.190 nan 0.000 0.453 90 E N 1.491 121.680 120.200 -0.019 0.000 2.086 90 E HA -0.201 4.149 4.350 0.001 0.000 0.200 90 E C -0.152 176.414 176.600 -0.057 0.000 1.012 90 E CA 2.376 58.775 56.400 -0.002 0.000 0.812 90 E CB -1.120 28.601 29.700 0.035 0.000 0.743 90 E HN 0.552 nan 8.360 nan 0.000 0.453 91 P HA -0.165 nan 4.420 nan 0.000 0.216 91 P C 0.846 177.966 177.300 -0.299 0.000 1.150 91 P CA 1.290 64.221 63.100 -0.282 0.000 0.843 91 P CB -0.110 31.297 31.700 -0.489 0.000 0.787 92 F N -1.835 118.040 119.950 -0.125 0.000 2.558 92 F HA -0.072 4.456 4.527 0.001 0.000 0.298 92 F C 2.116 177.906 175.800 -0.018 0.000 1.119 92 F CA 0.686 58.637 58.000 -0.082 0.000 1.451 92 F CB -1.153 37.771 39.000 -0.127 0.000 1.091 92 F HN -0.227 nan 8.300 nan 0.000 0.563 93 V N 0.494 120.492 119.914 0.140 0.000 2.341 93 V HA -0.193 3.927 4.120 0.001 0.000 0.240 93 V C 2.424 178.571 176.094 0.089 0.000 1.035 93 V CA 1.421 63.798 62.300 0.128 0.000 1.033 93 V CB -0.772 31.103 31.823 0.087 0.000 0.678 93 V HN 0.303 nan 8.190 nan 0.000 0.464 94 I N 0.051 120.644 120.570 0.039 0.000 2.145 94 I HA -0.273 3.898 4.170 0.001 0.000 0.244 94 I C 2.257 178.401 176.117 0.045 0.000 1.075 94 I CA 2.036 63.354 61.300 0.029 0.000 1.332 94 I CB -1.044 36.960 38.000 0.007 0.000 1.033 94 I HN 0.252 nan 8.210 nan 0.000 0.410 95 L N -0.314 120.931 121.223 0.038 0.000 2.131 95 L HA -0.090 4.251 4.340 0.001 0.000 0.210 95 L C 2.235 179.154 176.870 0.081 0.000 1.092 95 L CA 1.553 56.420 54.840 0.046 0.000 0.759 95 L CB -0.569 41.508 42.059 0.030 0.000 0.903 95 L HN 0.447 nan 8.230 nan 0.000 0.435 96 L N -1.240 120.049 121.223 0.110 0.000 2.291 96 L HA -0.103 4.238 4.340 0.001 0.000 0.214 96 L C 2.009 178.961 176.870 0.137 0.000 1.120 96 L CA 1.313 56.233 54.840 0.132 0.000 0.799 96 L CB -0.274 41.882 42.059 0.163 0.000 0.925 96 L HN 0.184 nan 8.230 nan 0.000 0.446 97 I N -1.170 119.476 120.570 0.127 0.000 2.429 97 I HA -0.131 4.040 4.170 0.001 0.000 0.247 97 I C 2.302 178.473 176.117 0.090 0.000 1.099 97 I CA 0.869 62.246 61.300 0.128 0.000 1.422 97 I CB -1.100 36.973 38.000 0.122 0.000 1.112 97 I HN 0.176 nan 8.210 nan 0.000 0.430 98 L N 0.469 121.732 121.223 0.067 0.000 2.129 98 L HA -0.242 4.099 4.340 0.001 0.000 0.212 98 L C 2.499 179.407 176.870 0.064 0.000 1.087 98 L CA 1.109 55.981 54.840 0.052 0.000 0.757 98 L CB -0.544 41.538 42.059 0.038 0.000 0.896 98 L HN 0.194 nan 8.230 nan 0.000 0.434 99 I N 0.169 120.785 120.570 0.076 0.000 2.315 99 I HA -0.193 3.977 4.170 0.001 0.000 0.248 99 I C 2.806 178.979 176.117 0.093 0.000 1.117 99 I CA 1.523 62.872 61.300 0.082 0.000 1.404 99 I CB -1.431 36.621 38.000 0.087 0.000 1.071 99 I HN 0.159 nan 8.210 nan 0.000 0.419 100 A N 1.078 123.958 122.820 0.100 0.000 1.872 100 A HA -0.160 4.161 4.320 0.001 0.000 0.214 100 A C 2.056 179.691 177.584 0.084 0.000 1.187 100 A CA 1.314 53.411 52.037 0.100 0.000 0.614 100 A CB -0.653 18.414 19.000 0.111 0.000 0.826 100 A HN 0.381 nan 8.150 nan 0.000 0.442 101 N N 0.712 119.455 118.700 0.072 0.000 2.192 101 N HA -0.187 4.554 4.740 0.001 0.000 0.188 101 N C 1.805 177.363 175.510 0.080 0.000 1.013 101 N CA 1.609 54.696 53.050 0.061 0.000 0.863 101 N CB -0.453 38.063 38.487 0.049 0.000 0.990 101 N HN 0.526 nan 8.380 nan 0.000 0.430 102 A N 1.673 124.544 122.820 0.085 0.000 1.835 102 A HA 0.021 4.342 4.320 0.001 0.000 0.213 102 A C 2.238 179.896 177.584 0.124 0.000 1.210 102 A CA 0.683 52.776 52.037 0.094 0.000 0.605 102 A CB -0.837 18.211 19.000 0.080 0.000 0.860 102 A HN 0.278 nan 8.150 nan 0.000 0.447 103 I N 0.104 120.755 120.570 0.135 0.000 2.381 103 I HA -0.249 3.922 4.170 0.001 0.000 0.255 103 I C 1.832 178.112 176.117 0.272 0.000 1.140 103 I CA 1.771 63.185 61.300 0.190 0.000 1.404 103 I CB 0.059 38.174 38.000 0.190 0.000 1.075 103 I HN 0.169 nan 8.210 nan 0.000 0.433 104 V N 0.947 120.979 119.914 0.197 0.000 2.374 104 V HA -0.021 4.100 4.120 0.001 0.000 0.241 104 V C 2.649 178.877 176.094 0.224 0.000 1.034 104 V CA 1.604 64.019 62.300 0.192 0.000 1.037 104 V CB -1.326 30.539 31.823 0.071 0.000 0.682 104 V HN 0.559 nan 8.190 nan 0.000 0.463 105 G N 0.661 109.559 108.800 0.164 0.000 2.501 105 G HA2 -0.164 3.797 3.960 0.001 0.000 0.220 105 G HA3 -0.164 3.797 3.960 0.001 0.000 0.220 105 G C 1.371 176.368 174.900 0.161 0.000 1.114 105 G CA 1.531 46.723 45.100 0.153 0.000 0.757 105 G HN 0.626 nan 8.290 nan 0.000 0.559 106 V N -4.467 115.553 119.914 0.177 0.000 3.621 106 V HA 0.296 4.416 4.120 0.001 0.000 0.285 106 V C 1.765 177.960 176.094 0.167 0.000 1.346 106 V CA -0.241 62.142 62.300 0.138 0.000 1.104 106 V CB -0.464 31.416 31.823 0.095 0.000 0.913 106 V HN 0.461 nan 8.190 nan 0.000 0.432 107 W N 2.747 124.083 121.300 0.060 0.000 2.481 107 W HA -0.016 4.645 4.660 0.001 0.000 0.293 107 W C 2.291 178.859 176.519 0.081 0.000 1.201 107 W CA 1.988 59.373 57.345 0.067 0.000 1.328 107 W CB 0.122 29.620 29.460 0.064 0.000 1.112 107 W HN 0.582 nan 8.180 nan 0.000 0.546 108 Q N -0.415 119.623 119.800 0.398 0.000 2.245 108 Q HA -0.121 4.220 4.340 0.001 0.000 0.201 108 Q C 1.778 177.879 176.000 0.169 0.000 0.955 108 Q CA 1.218 57.191 55.803 0.283 0.000 0.870 108 Q CB -0.813 28.055 28.738 0.217 0.000 0.945 108 Q HN 0.266 nan 8.270 nan 0.000 0.461 109 E N 0.544 120.825 120.200 0.135 0.000 2.153 109 E HA -0.137 4.214 4.350 0.001 0.000 0.194 109 E C 2.014 178.644 176.600 0.049 0.000 0.988 109 E CA 0.550 56.995 56.400 0.076 0.000 0.811 109 E CB 0.287 30.029 29.700 0.070 0.000 0.746 109 E HN 0.279 nan 8.360 nan 0.000 0.466 110 R N 0.356 120.884 120.500 0.047 0.000 2.051 110 R HA -0.014 4.327 4.340 0.001 0.000 0.225 110 R C 1.980 178.305 176.300 0.041 0.000 1.155 110 R CA 1.016 57.121 56.100 0.009 0.000 0.945 110 R CB -1.197 29.066 30.300 -0.062 0.000 0.840 110 R HN 0.317 nan 8.270 nan 0.000 0.432 111 N N 1.083 119.849 118.700 0.109 0.000 2.091 111 N HA -0.216 4.525 4.740 0.001 0.000 0.193 111 N C 1.787 177.339 175.510 0.070 0.000 1.021 111 N CA 1.346 54.503 53.050 0.179 0.000 0.862 111 N CB -0.161 38.567 38.487 0.402 0.000 1.018 111 N HN 0.235 nan 8.380 nan 0.000 0.429 112 A N 2.001 124.844 122.820 0.037 0.000 1.902 112 A HA -0.201 4.120 4.320 0.001 0.000 0.217 112 A C 1.968 179.523 177.584 -0.047 0.000 1.181 112 A CA 1.674 53.688 52.037 -0.038 0.000 0.623 112 A CB -0.411 18.569 19.000 -0.033 0.000 0.818 112 A HN 0.608 nan 8.150 nan 0.000 0.443 113 E N -1.070 119.116 120.200 -0.023 0.000 2.479 113 E HA 0.073 4.424 4.350 0.001 0.000 0.193 113 E C 1.160 177.741 176.600 -0.032 0.000 1.049 113 E CA 0.395 56.774 56.400 -0.034 0.000 0.870 113 E CB -0.337 29.348 29.700 -0.025 0.000 0.944 113 E HN 0.724 nan 8.360 nan 0.000 0.492 114 N N 0.651 119.342 118.700 -0.014 0.000 2.395 114 N HA 0.038 4.779 4.740 0.001 0.000 0.175 114 N C 1.755 177.254 175.510 -0.018 0.000 1.029 114 N CA 0.623 53.671 53.050 -0.003 0.000 0.897 114 N CB 0.135 38.644 38.487 0.035 0.000 0.991 114 N HN 0.227 nan 8.380 nan 0.000 0.441 115 A N 0.978 123.772 122.820 -0.044 0.000 1.935 115 A HA 0.034 4.355 4.320 0.001 0.000 0.214 115 A C 1.777 179.310 177.584 -0.084 0.000 1.178 115 A CA 0.585 52.574 52.037 -0.080 0.000 0.640 115 A CB -0.089 18.817 19.000 -0.156 0.000 0.825 115 A HN 0.118 nan 8.150 nan 0.000 0.447 116 I N 0.111 120.629 120.570 -0.085 0.000 3.001 116 I HA -0.096 4.074 4.170 0.001 0.000 0.268 116 I C 2.092 178.151 176.117 -0.096 0.000 1.267 116 I CA 1.596 62.839 61.300 -0.095 0.000 1.472 116 I CB -0.851 37.094 38.000 -0.093 0.000 1.089 116 I HN 0.503 nan 8.210 nan 0.000 0.468 117 E N 1.416 121.570 120.200 -0.077 0.000 2.251 117 E HA 0.102 4.453 4.350 0.001 0.000 0.194 117 E C 2.125 178.688 176.600 -0.062 0.000 0.964 117 E CA 0.826 57.178 56.400 -0.079 0.000 0.868 117 E CB 0.050 29.711 29.700 -0.066 0.000 0.828 117 E HN 0.250 nan 8.360 nan 0.000 0.481 118 A N 0.776 123.568 122.820 -0.046 0.000 2.225 118 A HA -0.008 4.313 4.320 0.001 0.000 0.215 118 A C 1.434 179.004 177.584 -0.024 0.000 1.164 118 A CA 0.523 52.544 52.037 -0.027 0.000 0.710 118 A CB -0.619 18.370 19.000 -0.018 0.000 0.780 118 A HN 0.327 nan 8.150 nan 0.000 0.473 119 L N 0.360 121.560 121.223 -0.038 0.000 2.777 119 L HA -0.046 4.295 4.340 0.001 0.000 0.244 119 L C 1.966 178.842 176.870 0.010 0.000 1.235 119 L CA 0.292 55.123 54.840 -0.015 0.000 1.062 119 L CB -0.618 41.416 42.059 -0.041 0.000 1.340 119 L HN 0.576 nan 8.230 nan 0.000 0.439 120 K N 0.364 120.764 120.400 -0.000 0.000 2.071 120 K HA -0.246 4.075 4.320 0.001 0.000 0.217 120 K C 0.470 177.105 176.600 0.058 0.000 1.054 120 K CA 1.472 57.766 56.287 0.011 0.000 0.937 120 K CB -0.388 32.115 32.500 0.005 0.000 0.719 120 K HN 0.371 nan 8.250 nan 0.000 0.454 121 E N 0.631 120.869 120.200 0.063 0.000 1.881 121 E HA -0.011 4.339 4.350 0.001 0.000 0.264 121 E C -1.459 175.225 176.600 0.140 0.000 1.243 121 E CA -0.099 56.345 56.400 0.073 0.000 0.965 121 E CB 0.014 29.737 29.700 0.038 0.000 1.055 121 E HN 0.229 nan 8.360 nan 0.000 0.412 122 Y N 4.005 124.293 120.300 -0.020 0.000 2.402 122 Y HA 0.004 4.555 4.550 0.001 0.000 0.325 122 Y C -0.411 175.479 175.900 -0.017 0.000 1.009 122 Y CA -1.452 56.636 58.100 -0.021 0.000 1.278 122 Y CB 0.648 39.095 38.460 -0.023 0.000 1.105 122 Y HN 0.335 nan 8.280 nan 0.000 0.476 123 E N 6.864 126.964 120.200 -0.167 0.000 3.355 123 E HA -0.118 4.233 4.350 0.001 0.000 0.234 123 E C -2.209 174.361 176.600 -0.050 0.000 0.952 123 E CA -0.426 55.903 56.400 -0.118 0.000 0.928 123 E CB -0.854 28.743 29.700 -0.172 0.000 0.873 123 E HN 0.412 nan 8.360 nan 0.000 0.525 124 P HA 0.011 nan 4.420 nan 0.000 0.270 124 P C -0.286 177.031 177.300 0.028 0.000 1.221 124 P CA 0.144 63.272 63.100 0.046 0.000 0.788 124 P CB 0.583 32.306 31.700 0.038 0.000 0.904 125 E N 1.771 121.995 120.200 0.040 0.000 2.145 125 E HA 0.306 4.657 4.350 0.001 0.000 0.262 125 E C -0.318 176.297 176.600 0.025 0.000 0.883 125 E CA -0.676 55.742 56.400 0.028 0.000 0.748 125 E CB 0.362 30.084 29.700 0.036 0.000 1.140 125 E HN 0.220 nan 8.360 nan 0.000 0.417 126 M N 1.749 121.358 119.600 0.016 0.000 2.114 126 M HA 0.691 5.172 4.480 0.001 0.000 0.280 126 M C 0.744 177.051 176.300 0.013 0.000 1.209 126 M CA -0.484 54.825 55.300 0.014 0.000 1.044 126 M CB 0.551 33.155 32.600 0.007 0.000 1.404 126 M HN 0.606 nan 8.290 nan 0.000 0.499 127 G N 0.268 109.074 108.800 0.011 0.000 2.673 127 G HA2 0.517 4.478 3.960 0.001 0.000 0.292 127 G HA3 0.517 4.478 3.960 0.001 0.000 0.292 127 G C -1.677 173.230 174.900 0.012 0.000 1.450 127 G CA -0.783 44.323 45.100 0.011 0.000 0.837 127 G HN 0.505 nan 8.290 nan 0.000 0.505 128 K N -0.107 120.306 120.400 0.021 0.000 2.292 128 K HA 0.726 5.047 4.320 0.001 0.000 0.257 128 K C -0.604 176.038 176.600 0.070 0.000 0.940 128 K CA -0.845 55.462 56.287 0.034 0.000 0.811 128 K CB 2.508 35.039 32.500 0.052 0.000 1.120 128 K HN 0.831 nan 8.250 nan 0.000 0.428 129 V N -0.413 119.544 119.914 0.071 0.000 3.120 129 V HA 0.477 4.598 4.120 0.001 0.000 0.303 129 V C -1.833 174.346 176.094 0.142 0.000 1.238 129 V CA -1.083 61.301 62.300 0.140 0.000 1.008 129 V CB 1.210 33.069 31.823 0.059 0.000 1.064 129 V HN 0.578 nan 8.190 nan 0.000 0.434 130 Y N 3.305 123.591 120.300 -0.022 0.000 2.326 130 Y HA 0.852 5.403 4.550 0.001 0.000 0.337 130 Y C 0.712 176.606 175.900 -0.010 0.000 1.023 130 Y CA -0.600 57.492 58.100 -0.014 0.000 1.143 130 Y CB 1.374 39.826 38.460 -0.014 0.000 1.183 130 Y HN 0.603 nan 8.280 nan 0.000 0.485 131 R N 0.770 121.324 120.500 0.090 0.000 2.930 131 R HA 0.689 5.030 4.340 0.001 0.000 0.257 131 R C 0.727 177.061 176.300 0.056 0.000 1.107 131 R CA -0.453 55.686 56.100 0.065 0.000 0.999 131 R CB 1.072 31.392 30.300 0.034 0.000 1.209 131 R HN 0.697 nan 8.270 nan 0.000 0.486 132 A N 1.328 124.178 122.820 0.049 0.000 1.834 132 A HA -0.229 4.092 4.320 0.001 0.000 0.216 132 A C 1.445 179.044 177.584 0.025 0.000 1.203 132 A CA 2.223 54.285 52.037 0.041 0.000 0.621 132 A CB -0.959 18.064 19.000 0.038 0.000 0.841 132 A HN 0.905 nan 8.150 nan 0.000 0.446 133 D N -0.192 120.218 120.400 0.017 0.000 2.339 133 D HA -0.265 4.376 4.640 0.001 0.000 0.189 133 D C 1.187 177.486 176.300 -0.003 0.000 1.022 133 D CA 1.866 55.870 54.000 0.006 0.000 0.884 133 D CB -0.239 40.563 40.800 0.002 0.000 0.916 133 D HN 0.549 nan 8.370 nan 0.000 0.453 134 R N -0.308 120.184 120.500 -0.013 0.000 2.888 134 R HA 0.233 4.574 4.340 0.001 0.000 0.266 134 R C 0.595 176.876 176.300 -0.032 0.000 1.020 134 R CA -0.800 55.282 56.100 -0.029 0.000 0.963 134 R CB 1.587 31.855 30.300 -0.054 0.000 1.197 134 R HN -0.295 nan 8.270 nan 0.000 0.481 135 K N 0.140 120.521 120.400 -0.032 0.000 2.284 135 K HA 0.083 4.404 4.320 0.001 0.000 0.198 135 K C 0.670 177.226 176.600 -0.072 0.000 1.048 135 K CA 0.586 56.867 56.287 -0.010 0.000 0.987 135 K CB 0.234 32.742 32.500 0.013 0.000 0.800 135 K HN 0.642 nan 8.250 nan 0.000 0.486 136 S N 0.321 115.943 115.700 -0.131 0.000 2.652 136 S HA 0.348 4.818 4.470 0.001 0.000 0.270 136 S C 0.813 175.155 174.600 -0.430 0.000 1.243 136 S CA -0.923 57.152 58.200 -0.209 0.000 0.999 136 S CB 1.213 64.340 63.200 -0.121 0.000 0.973 136 S HN -0.105 nan 8.310 nan 0.000 0.544 137 V N 1.494 121.091 119.914 -0.528 0.000 3.524 137 V HA 0.128 4.248 4.120 0.001 0.000 0.303 137 V C 0.305 176.206 176.094 -0.322 0.000 1.130 137 V CA 0.091 62.017 62.300 -0.623 0.000 1.225 137 V CB -0.106 31.531 31.823 -0.309 0.000 1.056 137 V HN 0.865 nan 8.190 nan 0.000 0.495 138 Q N 1.318 120.981 119.800 -0.229 0.000 2.444 138 Q HA 0.318 4.658 4.340 0.001 0.000 0.251 138 Q C -0.926 175.037 176.000 -0.062 0.000 0.939 138 Q CA -0.620 55.113 55.803 -0.118 0.000 0.740 138 Q CB 1.777 30.457 28.738 -0.096 0.000 1.308 138 Q HN 0.542 nan 8.270 nan 0.000 0.461 139 R N 2.311 122.783 120.500 -0.046 0.000 2.387 139 R HA 0.207 4.548 4.340 0.001 0.000 0.321 139 R C 0.171 176.464 176.300 -0.011 0.000 1.174 139 R CA -0.121 55.966 56.100 -0.022 0.000 1.002 139 R CB -0.560 29.729 30.300 -0.019 0.000 1.028 139 R HN 0.444 nan 8.270 nan 0.000 0.482 140 I N 1.211 121.780 120.570 -0.003 0.000 2.863 140 I HA 0.225 4.396 4.170 0.001 0.000 0.311 140 I C -0.153 175.975 176.117 0.018 0.000 1.026 140 I CA -1.217 60.088 61.300 0.008 0.000 1.077 140 I CB 1.333 39.339 38.000 0.010 0.000 1.262 140 I HN 0.315 nan 8.210 nan 0.000 0.461 141 K N 4.592 125.009 120.400 0.029 0.000 2.448 141 K HA 0.217 4.538 4.320 0.001 0.000 0.278 141 K C 1.058 177.684 176.600 0.042 0.000 1.009 141 K CA 0.547 56.857 56.287 0.038 0.000 0.995 141 K CB 0.318 32.848 32.500 0.049 0.000 0.917 141 K HN 0.708 nan 8.250 nan 0.000 0.481 142 A N 4.257 127.101 122.820 0.039 0.000 1.917 142 A HA -0.256 4.065 4.320 0.001 0.000 0.219 142 A C 2.064 179.679 177.584 0.051 0.000 1.182 142 A CA 1.845 53.904 52.037 0.036 0.000 0.633 142 A CB -0.525 18.495 19.000 0.034 0.000 0.819 142 A HN 0.928 nan 8.150 nan 0.000 0.448 143 R N -0.821 119.725 120.500 0.076 0.000 2.148 143 R HA -0.079 4.262 4.340 0.001 0.000 0.227 143 R C 0.389 176.800 176.300 0.185 0.000 1.103 143 R CA 1.520 57.697 56.100 0.128 0.000 0.983 143 R CB -0.657 29.715 30.300 0.120 0.000 0.874 143 R HN 0.254 nan 8.270 nan 0.000 0.451 144 D N 0.926 121.414 120.400 0.145 0.000 2.363 144 D HA 0.137 4.778 4.640 0.001 0.000 0.226 144 D C 0.295 176.616 176.300 0.036 0.000 1.020 144 D CA 0.500 54.572 54.000 0.119 0.000 0.892 144 D CB 0.099 40.958 40.800 0.097 0.000 0.900 144 D HN 0.262 nan 8.370 nan 0.000 0.531 145 I N 1.643 122.228 120.570 0.024 0.000 2.352 145 I HA 0.072 4.243 4.170 0.001 0.000 0.290 145 I C 0.285 176.378 176.117 -0.040 0.000 1.036 145 I CA -0.724 60.569 61.300 -0.012 0.000 1.336 145 I CB 1.127 39.116 38.000 -0.018 0.000 1.407 145 I HN -0.230 nan 8.210 nan 0.000 0.497 146 V N 5.695 125.575 119.914 -0.056 0.000 2.713 146 V HA 0.603 4.724 4.120 0.001 0.000 0.307 146 V C -2.460 173.500 176.094 -0.224 0.000 1.052 146 V CA -2.483 59.774 62.300 -0.073 0.000 0.967 146 V CB 1.071 32.921 31.823 0.045 0.000 1.019 146 V HN 0.495 nan 8.190 nan 0.000 0.459 147 P HA 0.341 nan 4.420 nan 0.000 0.268 147 P C 0.777 177.510 177.300 -0.944 0.000 1.204 147 P CA 1.441 64.184 63.100 -0.596 0.000 0.768 147 P CB 1.132 32.410 31.700 -0.703 0.000 0.842 148 G N 2.944 110.998 108.800 -1.244 0.000 2.436 148 G HA2 -0.164 3.797 3.960 0.001 0.000 0.204 148 G HA3 -0.164 3.797 3.960 0.001 0.000 0.204 148 G C -0.228 174.286 174.900 -0.643 0.000 1.026 148 G CA 0.069 44.211 45.100 -1.597 0.000 0.658 148 G HN 0.660 nan 8.290 nan 0.000 0.499 149 D N 2.018 122.195 120.400 -0.372 0.000 2.357 149 D HA 0.442 5.082 4.640 0.001 0.000 0.242 149 D C 0.679 176.892 176.300 -0.145 0.000 1.153 149 D CA -0.560 53.340 54.000 -0.165 0.000 0.918 149 D CB 0.628 41.387 40.800 -0.067 0.000 1.181 149 D HN 0.204 nan 8.370 nan 0.000 0.435 150 I N 0.935 121.469 120.570 -0.061 0.000 2.396 150 I HA 0.141 4.312 4.170 0.001 0.000 0.289 150 I C -0.002 176.113 176.117 -0.003 0.000 1.056 150 I CA -0.620 60.647 61.300 -0.056 0.000 1.365 150 I CB 0.431 38.397 38.000 -0.057 0.000 1.407 150 I HN 0.188 nan 8.210 nan 0.000 0.509 151 V N 6.813 126.701 119.914 -0.044 0.000 2.555 151 V HA 0.439 4.560 4.120 0.001 0.000 0.302 151 V C 0.042 176.120 176.094 -0.027 0.000 1.038 151 V CA -0.750 61.546 62.300 -0.007 0.000 0.887 151 V CB 2.189 33.989 31.823 -0.038 0.000 0.991 151 V HN 0.848 nan 8.190 nan 0.000 0.434 152 E N 3.866 124.084 120.200 0.029 0.000 2.256 152 E HA 0.808 5.158 4.350 0.001 0.000 0.267 152 E C -1.390 175.223 176.600 0.021 0.000 0.892 152 E CA -0.833 55.570 56.400 0.006 0.000 0.775 152 E CB 2.544 32.269 29.700 0.041 0.000 1.207 152 E HN 0.605 nan 8.360 nan 0.000 0.420 153 V N -0.305 119.608 119.914 -0.002 0.000 2.733 153 V HA 0.899 5.020 4.120 0.001 0.000 0.306 153 V C -0.609 175.484 176.094 -0.001 0.000 1.084 153 V CA -0.126 62.175 62.300 0.000 0.000 0.905 153 V CB 0.876 32.691 31.823 -0.014 0.000 1.010 153 V HN 1.029 nan 8.190 nan 0.000 0.424 154 A N 4.199 127.022 122.820 0.005 0.000 2.869 154 A HA 0.951 5.271 4.320 0.001 0.000 0.244 154 A C 0.198 177.782 177.584 0.000 0.000 1.374 154 A CA -0.378 51.662 52.037 0.004 0.000 0.913 154 A CB 0.903 19.910 19.000 0.010 0.000 1.589 154 A HN 1.809 nan 8.150 nan 0.000 0.485 155 V N -0.374 119.541 119.914 0.001 0.000 2.740 155 V HA 0.432 4.553 4.120 0.001 0.000 0.303 155 V C 1.682 177.776 176.094 -0.000 0.000 1.054 155 V CA 0.811 63.111 62.300 -0.000 0.000 1.106 155 V CB -0.334 31.489 31.823 0.000 0.000 0.957 155 V HN 2.114 nan 8.190 nan 0.000 0.486 156 G N 2.475 111.275 108.800 -0.001 0.000 2.377 156 G HA2 -0.254 3.707 3.960 0.001 0.000 0.250 156 G HA3 -0.254 3.707 3.960 0.001 0.000 0.250 156 G C 0.129 175.029 174.900 0.000 0.000 1.039 156 G CA 0.315 45.414 45.100 -0.000 0.000 0.625 156 G HN 0.748 nan 8.290 nan 0.000 0.526 157 D N 0.972 121.372 120.400 0.000 0.000 2.443 157 D HA 0.330 4.970 4.640 0.001 0.000 0.234 157 D C 0.636 176.937 176.300 0.001 0.000 1.172 157 D CA 0.674 54.675 54.000 0.001 0.000 0.878 157 D CB 0.737 41.539 40.800 0.002 0.000 1.204 157 D HN 0.363 nan 8.370 nan 0.000 0.453 158 K N 0.714 121.116 120.400 0.003 0.000 2.213 158 K HA 0.251 4.572 4.320 0.001 0.000 0.270 158 K C -1.128 175.474 176.600 0.003 0.000 1.002 158 K CA -0.673 55.617 56.287 0.005 0.000 0.868 158 K CB 1.211 33.715 32.500 0.008 0.000 1.093 158 K HN 0.064 nan 8.250 nan 0.000 0.454 159 V N 8.522 128.437 119.914 0.003 0.000 2.409 159 V HA 0.072 4.192 4.120 0.001 0.000 0.270 159 V C -1.320 174.776 176.094 0.003 0.000 1.019 159 V CA -0.898 61.399 62.300 -0.004 0.000 1.066 159 V CB 0.745 32.564 31.823 -0.006 0.000 1.021 159 V HN 0.878 nan 8.190 nan 0.000 0.476 160 P HA 0.071 nan 4.420 nan 0.000 0.226 160 P C 0.290 177.588 177.300 -0.004 0.000 1.153 160 P CA 1.159 64.258 63.100 -0.000 0.000 0.777 160 P CB 0.669 32.367 31.700 -0.004 0.000 0.794 161 A N -0.814 121.997 122.820 -0.016 0.000 2.483 161 A HA 0.417 4.737 4.320 0.001 0.000 0.294 161 A C -1.764 175.802 177.584 -0.031 0.000 1.077 161 A CA -0.673 51.352 52.037 -0.020 0.000 0.633 161 A CB -0.137 18.833 19.000 -0.049 0.000 1.318 161 A HN -0.195 nan 8.150 nan 0.000 0.455 162 D N 1.412 121.795 120.400 -0.029 0.000 2.339 162 D HA 0.501 5.142 4.640 0.001 0.000 0.256 162 D C -0.231 176.001 176.300 -0.114 0.000 1.214 162 D CA 0.557 54.526 54.000 -0.051 0.000 0.877 162 D CB 0.397 41.205 40.800 0.014 0.000 1.111 162 D HN 0.361 nan 8.370 nan 0.000 0.478 163 I N 1.931 122.406 120.570 -0.159 0.000 2.530 163 I HA 0.325 4.495 4.170 0.001 0.000 0.297 163 I C 0.335 176.349 176.117 -0.172 0.000 1.011 163 I CA -0.874 60.332 61.300 -0.156 0.000 1.107 163 I CB 1.584 39.500 38.000 -0.140 0.000 1.285 163 I HN 0.135 nan 8.210 nan 0.000 0.436 164 R N 6.236 126.654 120.500 -0.136 0.000 2.204 164 R HA 0.449 4.790 4.340 0.001 0.000 0.341 164 R C -0.397 175.838 176.300 -0.108 0.000 1.035 164 R CA -0.746 55.284 56.100 -0.116 0.000 0.887 164 R CB 0.080 30.335 30.300 -0.074 0.000 1.114 164 R HN 0.579 nan 8.270 nan 0.000 0.473 165 I N 5.771 126.267 120.570 -0.122 0.000 2.845 165 I HA -0.235 3.936 4.170 0.001 0.000 0.296 165 I C 1.414 177.488 176.117 -0.071 0.000 1.216 165 I CA 0.482 61.722 61.300 -0.101 0.000 1.438 165 I CB 0.602 38.539 38.000 -0.106 0.000 1.342 165 I HN 0.524 nan 8.210 nan 0.000 0.577 166 L N 3.832 125.014 121.223 -0.068 0.000 2.453 166 L HA 0.174 4.515 4.340 0.001 0.000 0.190 166 L C 0.828 177.671 176.870 -0.045 0.000 1.093 166 L CA 0.485 55.293 54.840 -0.052 0.000 0.834 166 L CB 0.046 42.067 42.059 -0.063 0.000 1.090 166 L HN 0.631 nan 8.230 nan 0.000 0.489 167 S N -0.269 115.396 115.700 -0.058 0.000 2.538 167 S HA 0.582 5.052 4.470 0.001 0.000 0.288 167 S C -0.903 173.669 174.600 -0.047 0.000 1.108 167 S CA -0.575 57.596 58.200 -0.049 0.000 0.971 167 S CB 1.438 64.601 63.200 -0.061 0.000 1.041 167 S HN 0.119 nan 8.310 nan 0.000 0.483 168 I N 5.403 125.955 120.570 -0.031 0.000 2.330 168 I HA 0.335 4.506 4.170 0.001 0.000 0.286 168 I C 0.824 176.927 176.117 -0.023 0.000 1.025 168 I CA -0.690 60.594 61.300 -0.026 0.000 1.197 168 I CB 1.408 39.400 38.000 -0.014 0.000 1.358 168 I HN 0.603 nan 8.210 nan 0.000 0.467 169 K N 2.971 123.355 120.400 -0.026 0.000 2.365 169 K HA 0.014 4.335 4.320 0.001 0.000 0.199 169 K C 0.815 177.409 176.600 -0.011 0.000 1.045 169 K CA 0.416 56.691 56.287 -0.020 0.000 0.962 169 K CB -0.088 32.400 32.500 -0.021 0.000 0.759 169 K HN 0.657 nan 8.250 nan 0.000 0.469 170 S N -0.346 115.348 115.700 -0.010 0.000 2.593 170 S HA 0.173 4.644 4.470 0.001 0.000 0.297 170 S C 1.335 175.933 174.600 -0.004 0.000 1.112 170 S CA -0.236 57.961 58.200 -0.005 0.000 1.043 170 S CB 1.600 64.797 63.200 -0.005 0.000 1.054 170 S HN 0.238 nan 8.310 nan 0.000 0.516 171 T N -0.614 113.939 114.554 -0.002 0.000 2.755 171 T HA -0.097 4.254 4.350 0.001 0.000 0.266 171 T C 0.860 175.561 174.700 0.001 0.000 1.041 171 T CA 2.023 64.123 62.100 -0.000 0.000 1.147 171 T CB -0.734 68.134 68.868 0.000 0.000 0.847 171 T HN 0.868 nan 8.240 nan 0.000 0.478 172 T N -0.701 113.854 114.554 0.001 0.000 2.731 172 T HA 0.596 4.947 4.350 0.001 0.000 0.300 172 T C -2.491 172.209 174.700 -0.000 0.000 1.283 172 T CA -0.846 61.256 62.100 0.003 0.000 1.005 172 T CB 1.666 70.537 68.868 0.005 0.000 1.420 172 T HN 0.295 nan 8.240 nan 0.000 0.503 173 L N 2.216 123.439 121.223 -0.000 0.000 2.611 173 L HA 0.619 4.960 4.340 0.001 0.000 0.263 173 L C -0.792 176.074 176.870 -0.007 0.000 0.969 173 L CA -0.198 54.638 54.840 -0.008 0.000 0.894 173 L CB 1.339 43.388 42.059 -0.017 0.000 1.229 173 L HN 0.608 nan 8.230 nan 0.000 0.416 174 R N 2.705 123.202 120.500 -0.005 0.000 2.598 174 R HA 0.930 5.271 4.340 0.001 0.000 0.279 174 R C -1.304 174.993 176.300 -0.005 0.000 0.984 174 R CA -0.807 55.291 56.100 -0.003 0.000 0.999 174 R CB 2.296 32.597 30.300 0.002 0.000 1.114 174 R HN 0.405 nan 8.270 nan 0.000 0.493 175 V N 0.921 120.834 119.914 -0.002 0.000 2.925 175 V HA 0.155 4.276 4.120 0.001 0.000 0.311 175 V C -1.128 174.974 176.094 0.013 0.000 1.104 175 V CA -0.812 61.489 62.300 0.001 0.000 0.954 175 V CB 2.275 34.093 31.823 -0.008 0.000 1.022 175 V HN 0.696 nan 8.190 nan 0.000 0.427 176 D N 3.044 123.454 120.400 0.016 0.000 2.485 176 D HA 0.282 4.923 4.640 0.001 0.000 0.221 176 D C 0.289 176.608 176.300 0.031 0.000 1.112 176 D CA -0.305 53.706 54.000 0.019 0.000 0.911 176 D CB 0.869 41.676 40.800 0.012 0.000 1.019 176 D HN 0.657 nan 8.370 nan 0.000 0.516 177 Q N 1.924 121.751 119.800 0.043 0.000 2.404 177 Q HA 0.190 4.531 4.340 0.001 0.000 0.368 177 Q C 0.483 176.498 176.000 0.025 0.000 0.939 177 Q CA -0.481 55.358 55.803 0.060 0.000 1.099 177 Q CB 0.361 29.175 28.738 0.128 0.000 1.284 177 Q HN 0.269 nan 8.270 nan 0.000 0.421 178 S N 0.369 116.077 115.700 0.013 0.000 2.368 178 S HA -0.179 4.291 4.470 0.001 0.000 0.224 178 S C 1.769 176.362 174.600 -0.011 0.000 1.029 178 S CA 0.780 58.980 58.200 -0.000 0.000 0.988 178 S CB -0.511 62.689 63.200 -0.000 0.000 0.838 178 S HN 0.653 nan 8.310 nan 0.000 0.462 179 I N 0.350 120.915 120.570 -0.007 0.000 2.700 179 I HA -0.055 4.116 4.170 0.001 0.000 0.261 179 I C 1.817 177.915 176.117 -0.032 0.000 1.219 179 I CA 1.175 62.466 61.300 -0.015 0.000 1.463 179 I CB 0.023 38.020 38.000 -0.006 0.000 1.092 179 I HN 0.389 nan 8.210 nan 0.000 0.452 180 L N -0.056 121.139 121.223 -0.046 0.000 2.749 180 L HA 0.310 4.650 4.340 0.001 0.000 0.242 180 L C 0.570 177.373 176.870 -0.111 0.000 1.103 180 L CA 0.702 55.485 54.840 -0.095 0.000 0.906 180 L CB 0.272 42.242 42.059 -0.148 0.000 1.228 180 L HN 0.298 nan 8.230 nan 0.000 0.517 181 T N -4.036 110.474 114.554 -0.074 0.000 2.916 181 T HA 0.589 4.939 4.350 0.001 0.000 0.292 181 T C 0.751 175.427 174.700 -0.039 0.000 1.064 181 T CA -0.241 61.819 62.100 -0.067 0.000 1.011 181 T CB 1.198 70.033 68.868 -0.055 0.000 1.152 181 T HN 0.019 nan 8.240 nan 0.000 0.510 182 G N 0.129 108.908 108.800 -0.035 0.000 3.295 182 G HA2 0.258 4.219 3.960 0.001 0.000 0.231 182 G HA3 0.258 4.219 3.960 0.001 0.000 0.231 182 G C -0.039 174.852 174.900 -0.015 0.000 1.277 182 G CA -0.350 44.735 45.100 -0.024 0.000 1.013 182 G HN 0.756 nan 8.290 nan 0.000 0.509 183 E N 0.235 120.428 120.200 -0.011 0.000 2.109 183 E HA 0.252 4.603 4.350 0.001 0.000 0.278 183 E C 0.781 177.381 176.600 -0.001 0.000 0.954 183 E CA -0.322 56.076 56.400 -0.002 0.000 0.779 183 E CB 1.483 31.186 29.700 0.006 0.000 1.093 183 E HN 0.272 nan 8.360 nan 0.000 0.401 184 S N 1.491 117.190 115.700 -0.001 0.000 2.456 184 S HA 0.033 4.503 4.470 0.001 0.000 0.224 184 S C 0.960 175.561 174.600 0.002 0.000 1.035 184 S CA -0.227 57.973 58.200 -0.001 0.000 0.940 184 S CB 0.099 63.298 63.200 -0.002 0.000 0.799 184 S HN 0.221 nan 8.310 nan 0.000 0.508 185 V N 3.466 123.382 119.914 0.004 0.000 2.904 185 V HA 0.489 4.610 4.120 0.001 0.000 0.305 185 V C 0.655 176.754 176.094 0.008 0.000 1.067 185 V CA -0.735 61.568 62.300 0.005 0.000 1.044 185 V CB 1.181 33.007 31.823 0.005 0.000 1.050 185 V HN 0.571 nan 8.190 nan 0.000 0.475 186 S N 1.974 117.679 115.700 0.008 0.000 2.565 186 S HA 0.584 5.055 4.470 0.001 0.000 0.276 186 S C -0.373 174.234 174.600 0.011 0.000 1.326 186 S CA -0.644 57.561 58.200 0.010 0.000 1.045 186 S CB 1.071 64.275 63.200 0.007 0.000 0.918 186 S HN 0.598 nan 8.310 nan 0.000 0.505 187 V N 2.481 122.403 119.914 0.014 0.000 3.177 187 V HA 0.573 4.694 4.120 0.001 0.000 0.319 187 V C 0.291 176.391 176.094 0.010 0.000 1.125 187 V CA -1.265 61.044 62.300 0.015 0.000 1.029 187 V CB 0.972 32.807 31.823 0.021 0.000 1.119 187 V HN 0.915 nan 8.190 nan 0.000 0.452 188 I N 0.925 121.503 120.570 0.014 0.000 2.676 188 I HA 0.515 4.686 4.170 0.001 0.000 0.309 188 I C -0.106 176.009 176.117 -0.004 0.000 0.990 188 I CA -0.724 60.583 61.300 0.011 0.000 1.168 188 I CB 1.451 39.468 38.000 0.029 0.000 1.343 188 I HN 0.501 nan 8.210 nan 0.000 0.482 189 K N 2.562 122.948 120.400 -0.024 0.000 2.340 189 K HA 0.581 4.902 4.320 0.001 0.000 0.244 189 K C -1.137 175.445 176.600 -0.031 0.000 0.973 189 K CA -0.835 55.395 56.287 -0.095 0.000 0.828 189 K CB 2.370 34.798 32.500 -0.119 0.000 1.226 189 K HN 0.732 nan 8.250 nan 0.000 0.437 190 H N -3.150 115.904 119.070 -0.028 0.000 2.908 190 H HA 0.371 4.928 4.556 0.001 0.000 0.350 190 H C 0.269 175.579 175.328 -0.030 0.000 1.217 190 H CA -0.831 55.203 56.048 -0.024 0.000 1.168 190 H CB 0.796 30.550 29.762 -0.014 0.000 1.891 190 H HN 0.520 nan 8.280 nan 0.000 0.566 191 T N -2.418 112.250 114.554 0.191 0.000 3.144 191 T HA 0.186 4.536 4.350 0.001 0.000 0.249 191 T C 0.237 175.021 174.700 0.139 0.000 1.089 191 T CA -0.292 61.868 62.100 0.101 0.000 0.989 191 T CB -0.131 68.763 68.868 0.044 0.000 0.992 191 T HN 0.445 nan 8.240 nan 0.000 0.540 192 E N 2.212 122.604 120.200 0.320 0.000 2.254 192 E HA 0.463 4.813 4.350 0.001 0.000 0.258 192 E C -2.537 174.193 176.600 0.217 0.000 1.033 192 E CA -2.534 53.978 56.400 0.187 0.000 0.893 192 E CB 0.935 30.663 29.700 0.047 0.000 1.204 192 E HN 0.150 nan 8.360 nan 0.000 0.425 193 P HA 0.187 nan 4.420 nan 0.000 0.276 193 P C -0.433 176.959 177.300 0.153 0.000 1.261 193 P CA -0.365 62.791 63.100 0.095 0.000 0.800 193 P CB 0.762 32.478 31.700 0.027 0.000 1.066 194 V N 2.140 122.128 119.914 0.124 0.000 2.383 194 V HA 0.120 4.241 4.120 0.001 0.000 0.261 194 V C -1.183 174.979 176.094 0.113 0.000 0.987 194 V CA -1.444 60.958 62.300 0.169 0.000 0.853 194 V CB 0.717 32.692 31.823 0.254 0.000 1.095 194 V HN 0.522 nan 8.190 nan 0.000 0.461 195 P HA -0.252 nan 4.420 nan 0.000 0.219 195 P C 0.613 177.928 177.300 0.024 0.000 1.159 195 P CA 1.428 64.533 63.100 0.008 0.000 0.944 195 P CB 0.147 31.858 31.700 0.019 0.000 0.792 196 D N 1.116 121.566 120.400 0.083 0.000 2.536 196 D HA -0.063 4.577 4.640 0.001 0.000 0.260 196 D C -0.924 175.515 176.300 0.232 0.000 1.270 196 D CA -1.006 53.062 54.000 0.114 0.000 0.934 196 D CB 0.218 41.081 40.800 0.104 0.000 1.129 196 D HN 0.188 nan 8.370 nan 0.000 0.533 197 P HA -0.167 nan 4.420 nan 0.000 0.220 197 P C 0.107 177.584 177.300 0.294 0.000 1.148 197 P CA 0.950 64.163 63.100 0.188 0.000 0.803 197 P CB 0.034 31.770 31.700 0.059 0.000 0.782 198 R N -0.754 119.845 120.500 0.164 0.000 3.130 198 R HA 0.675 5.016 4.340 0.001 0.000 0.348 198 R C 0.237 176.561 176.300 0.039 0.000 1.241 198 R CA -0.527 55.624 56.100 0.086 0.000 1.141 198 R CB 0.146 30.479 30.300 0.055 0.000 1.453 198 R HN -0.091 nan 8.270 nan 0.000 0.590 199 A N 0.822 123.655 122.820 0.021 0.000 2.286 199 A HA 0.545 4.865 4.320 0.001 0.000 0.286 199 A C 0.229 177.758 177.584 -0.092 0.000 1.097 199 A CA -0.626 51.396 52.037 -0.025 0.000 0.821 199 A CB 0.901 19.901 19.000 0.000 0.000 1.076 199 A HN 0.182 nan 8.150 nan 0.000 0.490 200 V N 2.078 121.956 119.914 -0.060 0.000 2.834 200 V HA 0.063 4.184 4.120 0.001 0.000 0.301 200 V C 1.276 177.330 176.094 -0.067 0.000 1.066 200 V CA -0.613 61.644 62.300 -0.071 0.000 1.052 200 V CB 0.892 32.684 31.823 -0.052 0.000 1.021 200 V HN 0.975 nan 8.190 nan 0.000 0.480 201 N N 1.929 120.571 118.700 -0.097 0.000 2.184 201 N HA -0.253 4.488 4.740 0.001 0.000 0.190 201 N C 1.650 177.208 175.510 0.081 0.000 1.011 201 N CA 1.623 54.649 53.050 -0.040 0.000 0.867 201 N CB -0.104 38.084 38.487 -0.498 0.000 0.993 201 N HN 0.775 nan 8.380 nan 0.000 0.433 202 Q N 0.551 120.353 119.800 0.002 0.000 2.170 202 Q HA -0.110 4.231 4.340 0.001 0.000 0.203 202 Q C 0.258 176.286 176.000 0.046 0.000 0.976 202 Q CA 1.145 56.966 55.803 0.031 0.000 0.858 202 Q CB 0.177 28.915 28.738 -0.000 0.000 0.907 202 Q HN 0.329 nan 8.270 nan 0.000 0.433 203 D N -0.072 120.346 120.400 0.030 0.000 2.339 203 D HA 0.005 4.645 4.640 0.001 0.000 0.217 203 D C -0.074 176.244 176.300 0.030 0.000 1.050 203 D CA 0.407 54.427 54.000 0.033 0.000 0.856 203 D CB 0.235 41.050 40.800 0.026 0.000 0.922 203 D HN 0.137 nan 8.370 nan 0.000 0.518 204 K N 1.533 121.954 120.400 0.037 0.000 3.192 204 K HA 0.091 4.412 4.320 0.001 0.000 0.269 204 K C 0.835 177.384 176.600 -0.085 0.000 1.270 204 K CA -0.157 56.130 56.287 -0.001 0.000 1.249 204 K CB 0.354 32.890 32.500 0.060 0.000 1.528 204 K HN -0.160 nan 8.250 nan 0.000 0.360 205 K N 1.374 121.708 120.400 -0.109 0.000 2.699 205 K HA -0.123 4.198 4.320 0.001 0.000 0.197 205 K C 0.547 176.822 176.600 -0.541 0.000 1.017 205 K CA 0.697 56.840 56.287 -0.241 0.000 1.006 205 K CB -0.259 32.162 32.500 -0.133 0.000 0.819 205 K HN 0.461 nan 8.250 nan 0.000 0.493 206 N N -0.832 117.618 118.700 -0.417 0.000 2.232 206 N HA 0.042 4.782 4.740 0.001 0.000 0.240 206 N C -0.227 175.124 175.510 -0.265 0.000 1.307 206 N CA -0.227 52.594 53.050 -0.380 0.000 0.859 206 N CB 0.446 38.743 38.487 -0.316 0.000 1.260 206 N HN -0.137 nan 8.380 nan 0.000 0.501 207 M N 0.860 120.254 119.600 -0.344 0.000 2.662 207 M HA 0.515 4.996 4.480 0.001 0.000 0.310 207 M C -0.879 175.055 176.300 -0.610 0.000 1.204 207 M CA -0.622 54.392 55.300 -0.478 0.000 0.891 207 M CB 2.202 34.416 32.600 -0.645 0.000 1.732 207 M HN -0.061 nan 8.290 nan 0.000 0.467 208 L N 2.369 123.255 121.223 -0.562 0.000 2.388 208 L HA 0.442 4.783 4.340 0.001 0.000 0.267 208 L C -1.108 175.537 176.870 -0.375 0.000 0.995 208 L CA -0.442 54.155 54.840 -0.404 0.000 0.864 208 L CB 0.774 42.710 42.059 -0.205 0.000 1.216 208 L HN 0.453 nan 8.230 nan 0.000 0.430 209 F N 0.654 120.578 119.950 -0.044 0.000 2.518 209 F HA 0.093 4.621 4.527 0.001 0.000 0.359 209 F C 1.384 177.164 175.800 -0.033 0.000 1.118 209 F CA 0.237 58.213 58.000 -0.039 0.000 1.287 209 F CB 0.714 39.690 39.000 -0.039 0.000 1.132 209 F HN 0.347 nan 8.300 nan 0.000 0.587 210 S N 1.410 117.203 115.700 0.156 0.000 2.549 210 S HA 0.402 4.872 4.470 0.001 0.000 0.283 210 S C 0.968 175.610 174.600 0.071 0.000 1.320 210 S CA 0.420 58.665 58.200 0.075 0.000 1.058 210 S CB 0.019 63.250 63.200 0.051 0.000 0.882 210 S HN 1.222 nan 8.310 nan 0.000 0.498 211 G N 3.198 112.025 108.800 0.046 0.000 2.175 211 G HA2 -0.198 3.763 3.960 0.001 0.000 0.244 211 G HA3 -0.198 3.763 3.960 0.001 0.000 0.244 211 G C 0.274 175.196 174.900 0.037 0.000 0.982 211 G CA 0.262 45.383 45.100 0.036 0.000 0.641 211 G HN 0.849 nan 8.290 nan 0.000 0.527 212 T N 1.328 115.912 114.554 0.049 0.000 2.897 212 T HA 0.628 4.979 4.350 0.001 0.000 0.278 212 T C 0.047 174.762 174.700 0.026 0.000 0.981 212 T CA 0.137 62.265 62.100 0.048 0.000 0.973 212 T CB 1.341 70.259 68.868 0.082 0.000 1.092 212 T HN 0.760 nan 8.240 nan 0.000 0.543 213 N N 0.832 119.544 118.700 0.019 0.000 2.277 213 N HA 0.236 4.977 4.740 0.001 0.000 0.286 213 N C -1.140 174.373 175.510 0.005 0.000 1.140 213 N CA -0.818 52.237 53.050 0.009 0.000 0.799 213 N CB 1.380 39.871 38.487 0.007 0.000 1.596 213 N HN 0.563 nan 8.380 nan 0.000 0.473 214 I N -0.548 120.021 120.570 -0.001 0.000 2.352 214 I HA 0.383 4.553 4.170 0.001 0.000 0.290 214 I C 1.206 177.322 176.117 -0.002 0.000 1.036 214 I CA -0.411 60.886 61.300 -0.005 0.000 1.336 214 I CB 0.227 38.220 38.000 -0.011 0.000 1.407 214 I HN 0.712 nan 8.210 nan 0.000 0.497 215 A N 5.922 128.742 122.820 -0.001 0.000 1.865 215 A HA 0.313 4.633 4.320 0.001 0.000 0.217 215 A C 1.233 178.816 177.584 -0.001 0.000 1.191 215 A CA 1.678 53.715 52.037 0.000 0.000 0.623 215 A CB -0.351 18.650 19.000 0.002 0.000 0.826 215 A HN 1.180 nan 8.150 nan 0.000 0.444 216 A N -3.337 119.482 122.820 -0.002 0.000 2.572 216 A HA 0.677 4.997 4.320 0.001 0.000 0.295 216 A C 0.251 177.832 177.584 -0.004 0.000 1.072 216 A CA 0.140 52.175 52.037 -0.002 0.000 0.691 216 A CB 0.579 19.578 19.000 -0.001 0.000 1.291 216 A HN 2.290 nan 8.150 nan 0.000 0.404 217 G N 0.101 108.899 108.800 -0.004 0.000 2.612 217 G HA2 0.318 4.279 3.960 0.001 0.000 0.686 217 G HA3 0.318 4.279 3.960 0.001 0.000 0.686 217 G C -0.789 174.107 174.900 -0.008 0.000 1.274 217 G CA -0.120 44.976 45.100 -0.006 0.000 0.849 217 G HN 1.093 nan 8.290 nan 0.000 0.595 218 K N -0.433 119.962 120.400 -0.009 0.000 2.435 218 K HA 0.880 5.200 4.320 0.001 0.000 0.251 218 K C -0.474 176.113 176.600 -0.021 0.000 0.954 218 K CA -0.241 56.039 56.287 -0.010 0.000 0.820 218 K CB 1.992 34.490 32.500 -0.003 0.000 1.292 218 K HN 2.270 nan 8.250 nan 0.000 0.436 219 A N 2.790 125.592 122.820 -0.030 0.000 2.580 219 A HA 0.408 4.728 4.320 0.001 0.000 0.301 219 A C -2.026 175.519 177.584 -0.064 0.000 1.054 219 A CA -0.776 51.233 52.037 -0.047 0.000 0.751 219 A CB 0.543 19.515 19.000 -0.046 0.000 1.275 219 A HN 0.443 nan 8.150 nan 0.000 0.403 220 L N 1.200 122.369 121.223 -0.089 0.000 2.454 220 L HA 0.912 5.253 4.340 0.001 0.000 0.256 220 L C 1.137 177.944 176.870 -0.105 0.000 1.136 220 L CA 1.061 55.828 54.840 -0.123 0.000 0.804 220 L CB 1.356 43.305 42.059 -0.184 0.000 1.181 220 L HN 1.328 nan 8.230 nan 0.000 0.469 221 G N -0.075 108.657 108.800 -0.112 0.000 2.488 221 G HA2 0.527 4.488 3.960 0.001 0.000 0.301 221 G HA3 0.527 4.488 3.960 0.001 0.000 0.301 221 G C -2.111 172.721 174.900 -0.114 0.000 1.339 221 G CA -0.486 44.551 45.100 -0.105 0.000 0.803 221 G HN 0.607 nan 8.290 nan 0.000 0.482 222 I N 0.605 121.103 120.570 -0.120 0.000 2.466 222 I HA 0.547 4.718 4.170 0.001 0.000 0.289 222 I C -0.373 175.624 176.117 -0.200 0.000 1.026 222 I CA -1.031 60.174 61.300 -0.159 0.000 1.078 222 I CB 1.895 39.823 38.000 -0.119 0.000 1.249 222 I HN 0.326 nan 8.210 nan 0.000 0.429 223 V N 8.582 128.334 119.914 -0.270 0.000 2.458 223 V HA 0.080 4.201 4.120 0.001 0.000 0.287 223 V C 1.179 177.080 176.094 -0.322 0.000 1.009 223 V CA 0.842 62.978 62.300 -0.274 0.000 1.091 223 V CB 0.239 31.888 31.823 -0.290 0.000 0.960 223 V HN 0.979 nan 8.190 nan 0.000 0.476 224 A N 4.989 127.697 122.820 -0.187 0.000 1.831 224 A HA 0.150 4.470 4.320 0.001 0.000 0.213 224 A C 1.299 178.802 177.584 -0.135 0.000 1.223 224 A CA 1.394 53.365 52.037 -0.110 0.000 0.604 224 A CB -0.201 18.759 19.000 -0.067 0.000 0.878 224 A HN 0.839 nan 8.150 nan 0.000 0.450 225 T N -3.057 111.429 114.554 -0.114 0.000 2.926 225 T HA 0.601 4.951 4.350 0.001 0.000 0.289 225 T C -0.224 174.413 174.700 -0.105 0.000 1.054 225 T CA 0.313 62.346 62.100 -0.111 0.000 1.015 225 T CB 1.707 70.554 68.868 -0.034 0.000 1.167 225 T HN 1.042 nan 8.240 nan 0.000 0.526 226 T N -2.141 112.363 114.554 -0.084 0.000 2.696 226 T HA 0.731 5.082 4.350 0.001 0.000 0.291 226 T C 0.993 175.695 174.700 0.005 0.000 1.095 226 T CA 0.329 62.402 62.100 -0.045 0.000 1.026 226 T CB 0.834 69.665 68.868 -0.062 0.000 1.390 226 T HN 2.165 nan 8.240 nan 0.000 0.513 227 G N 0.049 108.865 108.800 0.026 0.000 2.594 227 G HA2 -0.285 3.675 3.960 0.001 0.000 0.297 227 G HA3 -0.285 3.675 3.960 0.001 0.000 0.297 227 G C 1.081 176.005 174.900 0.039 0.000 1.273 227 G CA 1.048 46.175 45.100 0.045 0.000 0.974 227 G HN 1.857 nan 8.290 nan 0.000 0.552 228 V N 0.760 120.701 119.914 0.045 0.000 3.305 228 V HA 0.125 4.246 4.120 0.001 0.000 0.269 228 V C 2.348 178.466 176.094 0.039 0.000 1.157 228 V CA 2.666 64.989 62.300 0.038 0.000 1.157 228 V CB -0.338 31.508 31.823 0.039 0.000 0.772 228 V HN 0.876 nan 8.190 nan 0.000 0.498 229 S N -0.376 115.351 115.700 0.045 0.000 2.603 229 S HA 0.068 4.539 4.470 0.001 0.000 0.220 229 S C 0.955 175.577 174.600 0.037 0.000 0.967 229 S CA 0.319 58.546 58.200 0.045 0.000 0.920 229 S CB -0.195 63.036 63.200 0.053 0.000 0.773 229 S HN 0.644 nan 8.310 nan 0.000 0.529 230 T N 2.325 116.900 114.554 0.034 0.000 2.913 230 T HA 0.136 4.486 4.350 0.001 0.000 0.297 230 T C 1.251 175.975 174.700 0.041 0.000 1.029 230 T CA -0.225 61.902 62.100 0.045 0.000 1.104 230 T CB 1.113 70.006 68.868 0.041 0.000 0.964 230 T HN 0.104 nan 8.240 nan 0.000 0.532 231 E N 1.351 121.591 120.200 0.066 0.000 2.097 231 E HA -0.125 4.225 4.350 0.001 0.000 0.196 231 E C 1.683 178.252 176.600 -0.052 0.000 1.000 231 E CA 1.059 57.452 56.400 -0.011 0.000 0.804 231 E CB -0.180 29.478 29.700 -0.070 0.000 0.740 231 E HN 0.576 nan 8.360 nan 0.000 0.454 232 I N -0.630 119.930 120.570 -0.016 0.000 2.876 232 I HA 0.079 4.249 4.170 0.001 0.000 0.264 232 I C 1.822 177.934 176.117 -0.008 0.000 1.204 232 I CA 1.078 62.365 61.300 -0.022 0.000 1.485 232 I CB -0.218 37.784 38.000 0.003 0.000 1.103 232 I HN 0.147 nan 8.210 nan 0.000 0.446 233 G N -0.027 108.777 108.800 0.006 0.000 2.430 233 G HA2 -0.158 3.802 3.960 0.001 0.000 0.216 233 G HA3 -0.158 3.802 3.960 0.001 0.000 0.216 233 G C 1.642 176.545 174.900 0.005 0.000 1.146 233 G CA 0.152 45.259 45.100 0.011 0.000 0.793 233 G HN 0.342 nan 8.290 nan 0.000 0.537 234 K N -0.046 120.354 120.400 -0.001 0.000 2.439 234 K HA 0.130 4.451 4.320 0.001 0.000 0.197 234 K C 1.813 178.405 176.600 -0.013 0.000 1.041 234 K CA 0.069 56.354 56.287 -0.003 0.000 0.970 234 K CB 0.104 32.600 32.500 -0.006 0.000 0.773 234 K HN 0.252 nan 8.250 nan 0.000 0.479 235 I N 0.719 121.277 120.570 -0.021 0.000 2.594 235 I HA -0.090 4.080 4.170 0.001 0.000 0.237 235 I C 2.121 178.229 176.117 -0.015 0.000 1.071 235 I CA 0.971 62.255 61.300 -0.026 0.000 1.427 235 I CB -1.013 36.963 38.000 -0.040 0.000 1.218 235 I HN 0.072 nan 8.210 nan 0.000 0.444 236 R N 0.868 121.362 120.500 -0.011 0.000 2.133 236 R HA -0.237 4.104 4.340 0.001 0.000 0.247 236 R C 1.977 178.276 176.300 -0.002 0.000 1.151 236 R CA 1.829 57.926 56.100 -0.005 0.000 0.971 236 R CB -0.407 29.893 30.300 -0.001 0.000 0.866 236 R HN 0.438 nan 8.270 nan 0.000 0.447 237 D N 0.702 121.102 120.400 0.001 0.000 2.117 237 D HA -0.166 4.475 4.640 0.001 0.000 0.198 237 D C 0.938 177.239 176.300 0.002 0.000 0.982 237 D CA 1.014 55.017 54.000 0.004 0.000 0.828 237 D CB 0.089 40.895 40.800 0.008 0.000 0.967 237 D HN 0.004 nan 8.370 nan 0.000 0.464 238 Q N 1.040 120.839 119.800 -0.002 0.000 2.945 238 Q HA 0.130 4.470 4.340 0.001 0.000 0.323 238 Q C 0.243 176.239 176.000 -0.005 0.000 1.188 238 Q CA -0.331 55.470 55.803 -0.003 0.000 0.929 238 Q CB -0.884 27.851 28.738 -0.006 0.000 1.531 238 Q HN 0.382 nan 8.270 nan 0.000 0.444 239 M N -1.220 118.378 119.600 -0.003 0.000 2.103 239 M HA 0.518 4.999 4.480 0.001 0.000 0.291 239 M C 0.350 176.649 176.300 -0.003 0.000 1.216 239 M CA -0.481 54.817 55.300 -0.004 0.000 1.132 239 M CB 0.347 32.946 32.600 -0.002 0.000 1.396 239 M HN 0.117 nan 8.290 nan 0.000 0.479 240 A N 1.358 124.176 122.820 -0.003 0.000 2.565 240 A HA 0.405 4.726 4.320 0.001 0.000 0.237 240 A C 1.267 178.851 177.584 0.000 0.000 1.053 240 A CA 0.321 52.356 52.037 -0.003 0.000 0.755 240 A CB -0.857 18.141 19.000 -0.003 0.000 0.980 240 A HN 1.374 nan 8.150 nan 0.000 0.506 241 A N 2.409 125.229 122.820 0.001 0.000 2.722 241 A HA -0.234 4.087 4.320 0.001 0.000 0.331 241 A C 1.325 178.912 177.584 0.005 0.000 1.052 241 A CA 2.833 54.872 52.037 0.003 0.000 1.262 241 A CB -1.913 17.088 19.000 0.003 0.000 0.594 241 A HN 2.271 nan 8.150 nan 0.000 0.441 242 T N -1.993 112.565 114.554 0.007 0.000 3.332 242 T HA 0.522 4.872 4.350 0.001 0.000 0.385 242 T C 0.657 175.362 174.700 0.008 0.000 1.695 242 T CA 0.651 62.757 62.100 0.009 0.000 1.397 242 T CB 0.784 69.660 68.868 0.013 0.000 1.100 242 T HN 0.823 nan 8.240 nan 0.000 0.669 243 E N 1.218 121.421 120.200 0.005 0.000 2.277 243 E HA -0.307 4.043 4.350 0.001 0.000 0.216 243 E C 0.372 176.974 176.600 0.004 0.000 1.068 243 E CA 1.209 57.611 56.400 0.003 0.000 0.866 243 E CB -0.195 29.506 29.700 0.002 0.000 0.749 243 E HN 0.471 nan 8.360 nan 0.000 0.465 244 Q N 1.309 121.113 119.800 0.006 0.000 2.303 244 Q HA 0.061 4.402 4.340 0.001 0.000 0.257 244 Q C -0.071 175.935 176.000 0.010 0.000 0.941 244 Q CA 0.263 56.070 55.803 0.007 0.000 0.931 244 Q CB 1.766 30.509 28.738 0.008 0.000 1.215 244 Q HN 0.429 nan 8.270 nan 0.000 0.437 245 D N 1.632 122.037 120.400 0.009 0.000 2.379 245 D HA 0.013 4.653 4.640 0.001 0.000 0.218 245 D C 0.032 176.341 176.300 0.015 0.000 1.006 245 D CA 0.362 54.369 54.000 0.011 0.000 0.893 245 D CB 0.798 41.602 40.800 0.008 0.000 1.019 245 D HN 0.304 nan 8.370 nan 0.000 0.503 246 K N 0.812 121.219 120.400 0.013 0.000 2.695 246 K HA 0.270 4.591 4.320 0.001 0.000 0.255 246 K C -1.637 174.971 176.600 0.013 0.000 1.016 246 K CA -0.394 55.902 56.287 0.016 0.000 0.928 246 K CB 1.385 33.892 32.500 0.013 0.000 1.235 246 K HN 0.015 nan 8.250 nan 0.000 0.467 247 T N 1.930 116.494 114.554 0.017 0.000 2.770 247 T HA 0.321 4.672 4.350 0.001 0.000 0.283 247 T C -2.056 172.655 174.700 0.017 0.000 0.988 247 T CA -2.134 59.974 62.100 0.012 0.000 0.957 247 T CB 1.493 70.367 68.868 0.011 0.000 0.930 247 T HN 0.257 nan 8.240 nan 0.000 0.443 248 P HA -0.148 nan 4.420 nan 0.000 0.218 248 P C 1.047 178.363 177.300 0.026 0.000 1.147 248 P CA 0.577 63.685 63.100 0.014 0.000 0.827 248 P CB 0.152 31.852 31.700 -0.001 0.000 0.778 249 L N -1.321 119.918 121.223 0.027 0.000 2.228 249 L HA 0.040 4.381 4.340 0.001 0.000 0.196 249 L C 2.405 179.298 176.870 0.040 0.000 1.162 249 L CA 1.297 56.161 54.840 0.039 0.000 0.801 249 L CB -1.399 40.684 42.059 0.039 0.000 0.983 249 L HN -0.257 nan 8.230 nan 0.000 0.471 250 Q N -0.461 119.355 119.800 0.026 0.000 2.142 250 Q HA -0.334 4.007 4.340 0.001 0.000 0.213 250 Q C 2.080 178.123 176.000 0.072 0.000 1.004 250 Q CA 2.380 58.204 55.803 0.034 0.000 0.883 250 Q CB -0.288 28.465 28.738 0.025 0.000 0.939 250 Q HN 0.554 nan 8.270 nan 0.000 0.413 251 Q N 0.442 120.281 119.800 0.064 0.000 2.002 251 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 251 Q C 1.973 178.034 176.000 0.102 0.000 0.988 251 Q CA 1.330 57.178 55.803 0.076 0.000 0.843 251 Q CB -0.393 28.377 28.738 0.053 0.000 0.908 251 Q HN 0.324 nan 8.270 nan 0.000 0.420 252 K N 0.229 120.682 120.400 0.088 0.000 2.211 252 K HA -0.149 4.172 4.320 0.001 0.000 0.204 252 K C 1.943 178.641 176.600 0.164 0.000 1.047 252 K CA 0.585 56.934 56.287 0.104 0.000 0.935 252 K CB 0.047 32.589 32.500 0.069 0.000 0.728 252 K HN 0.000 nan 8.250 nan 0.000 0.452 253 L N 0.959 122.279 121.223 0.162 0.000 2.209 253 L HA -0.047 4.294 4.340 0.001 0.000 0.207 253 L C 1.413 178.566 176.870 0.471 0.000 1.094 253 L CA 1.518 56.503 54.840 0.242 0.000 0.790 253 L CB -0.095 41.983 42.059 0.031 0.000 0.932 253 L HN 0.105 nan 8.230 nan 0.000 0.447 254 D N -0.677 119.923 120.400 0.332 0.000 2.183 254 D HA -0.195 4.446 4.640 0.001 0.000 0.203 254 D C 1.934 178.393 176.300 0.266 0.000 0.969 254 D CA 0.780 54.984 54.000 0.340 0.000 0.842 254 D CB 0.202 41.124 40.800 0.203 0.000 0.957 254 D HN 0.461 nan 8.370 nan 0.000 0.484 255 E N -0.686 119.657 120.200 0.238 0.000 2.274 255 E HA -0.150 4.201 4.350 0.001 0.000 0.194 255 E C 1.689 178.441 176.600 0.254 0.000 0.996 255 E CA 0.303 56.812 56.400 0.182 0.000 0.840 255 E CB -0.011 29.779 29.700 0.150 0.000 0.772 255 E HN 0.133 nan 8.360 nan 0.000 0.491 256 F N 0.629 120.703 119.950 0.207 0.000 2.187 256 F HA 0.185 4.713 4.527 0.001 0.000 0.295 256 F C 1.958 177.886 175.800 0.213 0.000 1.091 256 F CA 1.522 59.679 58.000 0.262 0.000 1.308 256 F CB -0.439 38.793 39.000 0.386 0.000 1.030 256 F HN 0.002 nan 8.300 nan 0.000 0.487 257 G N -0.557 108.380 108.800 0.227 0.000 3.155 257 G HA2 -0.073 3.887 3.960 0.001 0.000 0.213 257 G HA3 -0.073 3.887 3.960 0.001 0.000 0.213 257 G C 1.196 175.840 174.900 -0.427 0.000 1.196 257 G CA 0.526 45.236 45.100 -0.650 0.000 0.846 257 G HN 0.504 nan 8.290 nan 0.000 0.516 258 E N -1.024 119.046 120.200 -0.218 0.000 2.414 258 E HA 0.056 4.407 4.350 0.001 0.000 0.208 258 E C 2.182 178.665 176.600 -0.195 0.000 0.820 258 E CA -0.091 56.196 56.400 -0.189 0.000 1.143 258 E CB 0.234 29.890 29.700 -0.073 0.000 1.150 258 E HN 0.405 nan 8.360 nan 0.000 0.540 259 Q N 0.655 120.360 119.800 -0.158 0.000 2.016 259 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 259 Q C 2.297 178.168 176.000 -0.215 0.000 0.978 259 Q CA 1.402 57.126 55.803 -0.131 0.000 0.833 259 Q CB 0.045 28.764 28.738 -0.033 0.000 0.895 259 Q HN 0.287 nan 8.270 nan 0.000 0.427 260 L N 0.694 121.700 121.223 -0.361 0.000 1.970 260 L HA -0.265 4.075 4.340 0.001 0.000 0.212 260 L C 2.795 179.489 176.870 -0.294 0.000 1.071 260 L CA 1.572 56.206 54.840 -0.344 0.000 0.751 260 L CB -0.958 40.807 42.059 -0.490 0.000 0.889 260 L HN 0.356 nan 8.230 nan 0.000 0.432 261 S N -0.090 115.372 115.700 -0.396 0.000 2.381 261 S HA -0.267 4.204 4.470 0.001 0.000 0.230 261 S C 2.027 176.397 174.600 -0.383 0.000 1.052 261 S CA 1.402 59.314 58.200 -0.480 0.000 1.068 261 S CB -0.346 62.424 63.200 -0.717 0.000 0.918 261 S HN 0.284 nan 8.310 nan 0.000 0.448 262 K N 1.115 121.335 120.400 -0.301 0.000 1.965 262 K HA 0.016 4.337 4.320 0.001 0.000 0.214 262 K C 2.385 178.909 176.600 -0.126 0.000 1.046 262 K CA 1.384 57.552 56.287 -0.198 0.000 0.944 262 K CB -1.492 30.918 32.500 -0.151 0.000 0.726 262 K HN 0.394 nan 8.250 nan 0.000 0.441 263 V N 2.897 122.746 119.914 -0.109 0.000 2.220 263 V HA -0.312 3.808 4.120 0.001 0.000 0.250 263 V C 2.555 178.612 176.094 -0.063 0.000 1.056 263 V CA 1.881 64.139 62.300 -0.070 0.000 1.016 263 V CB -0.537 31.253 31.823 -0.056 0.000 0.639 263 V HN 0.211 nan 8.190 nan 0.000 0.446 264 I N 0.450 120.977 120.570 -0.071 0.000 2.074 264 I HA -0.325 3.845 4.170 0.001 0.000 0.238 264 I C 2.642 178.768 176.117 0.014 0.000 1.037 264 I CA 2.527 63.810 61.300 -0.028 0.000 1.301 264 I CB -1.678 36.324 38.000 0.002 0.000 1.016 264 I HN 0.505 nan 8.210 nan 0.000 0.400 265 S N -0.206 115.513 115.700 0.032 0.000 2.547 265 S HA -0.122 4.349 4.470 0.001 0.000 0.255 265 S C 1.596 176.216 174.600 0.034 0.000 0.977 265 S CA 1.033 59.280 58.200 0.078 0.000 0.960 265 S CB -0.248 62.961 63.200 0.015 0.000 0.746 265 S HN 0.453 nan 8.310 nan 0.000 0.532 266 L N -0.714 120.516 121.223 0.012 0.000 2.902 266 L HA 0.359 4.699 4.340 0.001 0.000 0.254 266 L C 1.704 178.592 176.870 0.030 0.000 1.115 266 L CA 0.107 54.959 54.840 0.021 0.000 0.947 266 L CB -0.100 41.959 42.059 0.001 0.000 1.369 266 L HN 0.231 nan 8.230 nan 0.000 0.538 267 I N -0.595 119.970 120.570 -0.007 0.000 2.546 267 I HA -0.199 3.972 4.170 0.001 0.000 0.255 267 I C 2.142 178.297 176.117 0.064 0.000 1.163 267 I CA 0.813 62.078 61.300 -0.057 0.000 1.457 267 I CB -0.348 37.573 38.000 -0.131 0.000 1.092 267 I HN 0.318 nan 8.210 nan 0.000 0.434 268 C N -0.176 119.170 119.300 0.076 0.000 2.524 268 C HA 0.062 4.522 4.460 0.001 0.000 0.284 268 C C 2.648 177.725 174.990 0.144 0.000 1.346 268 C CA -0.107 58.980 59.018 0.113 0.000 1.739 268 C CB -0.189 27.570 27.740 0.033 0.000 2.119 268 C HN 0.285 nan 8.230 nan 0.000 0.501 269 V N 1.679 121.656 119.914 0.104 0.000 3.383 269 V HA -0.057 4.063 4.120 0.001 0.000 0.272 269 V C 2.122 178.336 176.094 0.201 0.000 1.181 269 V CA 1.714 64.088 62.300 0.124 0.000 1.171 269 V CB -1.144 30.720 31.823 0.068 0.000 0.800 269 V HN 0.607 nan 8.190 nan 0.000 0.515 270 A N -0.997 121.953 122.820 0.218 0.000 2.267 270 A HA 0.203 4.524 4.320 0.001 0.000 0.213 270 A C 2.007 179.764 177.584 0.289 0.000 1.192 270 A CA 0.501 52.691 52.037 0.255 0.000 0.851 270 A CB 0.190 19.356 19.000 0.276 0.000 0.881 270 A HN 0.316 nan 8.150 nan 0.000 0.494 271 V N -2.707 117.387 119.914 0.298 0.000 2.575 271 V HA -0.093 4.028 4.120 0.001 0.000 0.242 271 V C 1.733 177.952 176.094 0.208 0.000 1.045 271 V CA 0.814 63.238 62.300 0.206 0.000 1.065 271 V CB -0.600 31.382 31.823 0.265 0.000 0.717 271 V HN 0.834 nan 8.190 nan 0.000 0.467 272 W N 0.272 121.658 121.300 0.143 0.000 3.316 272 W HA 0.163 4.824 4.660 0.001 0.000 0.258 272 W C 1.200 177.858 176.519 0.233 0.000 1.330 272 W CA 0.940 58.437 57.345 0.254 0.000 1.595 272 W CB 0.060 29.665 29.460 0.241 0.000 1.088 272 W HN 0.183 nan 8.180 nan 0.000 0.734 273 L N -0.488 120.843 121.223 0.180 0.000 2.966 273 L HA 0.081 4.422 4.340 0.001 0.000 0.262 273 L C 2.076 178.882 176.870 -0.107 0.000 1.068 273 L CA 0.197 55.081 54.840 0.073 0.000 1.004 273 L CB -0.320 41.831 42.059 0.152 0.000 1.629 273 L HN -0.056 nan 8.230 nan 0.000 0.542 274 I N -2.971 117.510 120.570 -0.149 0.000 3.111 274 I HA 0.018 4.189 4.170 0.001 0.000 0.272 274 I C 0.758 176.615 176.117 -0.433 0.000 1.268 274 I CA 0.983 62.126 61.300 -0.262 0.000 1.467 274 I CB -0.197 37.604 38.000 -0.331 0.000 1.087 274 I HN 0.204 nan 8.210 nan 0.000 0.467 275 N N 1.137 119.488 118.700 -0.583 0.000 2.389 275 N HA 0.358 5.098 4.740 0.001 0.000 0.260 275 N C 1.297 175.903 175.510 -1.507 0.000 1.191 275 N CA -0.000 52.423 53.050 -1.045 0.000 0.885 275 N CB 0.896 38.578 38.487 -1.341 0.000 1.162 275 N HN 0.402 nan 8.380 nan 0.000 0.512 276 I N 0.046 120.032 120.570 -0.973 0.000 2.315 276 I HA -0.130 4.041 4.170 0.001 0.000 0.248 276 I C 2.115 177.773 176.117 -0.764 0.000 1.117 276 I CA 0.904 61.722 61.300 -0.803 0.000 1.404 276 I CB -0.097 37.774 38.000 -0.214 0.000 1.071 276 I HN 0.180 nan 8.210 nan 0.000 0.419 277 G N -0.313 108.039 108.800 -0.747 0.000 2.615 277 G HA2 -0.202 3.759 3.960 0.001 0.000 0.213 277 G HA3 -0.202 3.759 3.960 0.001 0.000 0.213 277 G C 0.859 175.459 174.900 -0.500 0.000 1.135 277 G CA 0.594 45.330 45.100 -0.607 0.000 0.772 277 G HN 0.489 nan 8.290 nan 0.000 0.542 278 H N -1.709 117.077 119.070 -0.474 0.000 3.052 278 H HA 0.249 4.805 4.556 0.001 0.000 0.257 278 H C 0.881 176.219 175.328 0.016 0.000 1.193 278 H CA -1.167 54.759 56.048 -0.203 0.000 1.072 278 H CB -0.068 29.634 29.762 -0.100 0.000 1.685 278 H HN 0.286 nan 8.280 nan 0.000 0.630 279 F N 2.033 122.059 119.950 0.127 0.000 2.293 279 F HA -0.075 4.453 4.527 0.001 0.000 0.297 279 F C 2.064 178.000 175.800 0.227 0.000 1.089 279 F CA 1.162 59.267 58.000 0.174 0.000 1.377 279 F CB -0.203 38.805 39.000 0.014 0.000 1.051 279 F HN 0.276 nan 8.300 nan 0.000 0.511 280 N N -0.866 118.049 118.700 0.358 0.000 2.251 280 N HA -0.095 4.646 4.740 0.001 0.000 0.181 280 N C 0.102 175.718 175.510 0.176 0.000 1.019 280 N CA 0.467 53.678 53.050 0.269 0.000 0.862 280 N CB -0.963 37.673 38.487 0.249 0.000 0.992 280 N HN -0.042 nan 8.380 nan 0.000 0.429 281 D N 2.144 122.641 120.400 0.162 0.000 2.631 281 D HA -0.088 4.553 4.640 0.001 0.000 0.225 281 D C -1.093 175.215 176.300 0.014 0.000 1.189 281 D CA -0.206 53.839 54.000 0.076 0.000 0.871 281 D CB 0.329 41.166 40.800 0.063 0.000 1.224 281 D HN 0.179 nan 8.370 nan 0.000 0.510 282 P HA -0.220 nan 4.420 nan 0.000 0.208 282 P C 1.525 178.745 177.300 -0.134 0.000 1.180 282 P CA 1.234 64.292 63.100 -0.070 0.000 0.935 282 P CB -0.091 31.573 31.700 -0.060 0.000 0.785 283 V N 0.290 120.072 119.914 -0.221 0.000 2.402 283 V HA -0.219 3.902 4.120 0.001 0.000 0.264 283 V C 1.597 177.455 176.094 -0.392 0.000 1.112 283 V CA 2.136 64.227 62.300 -0.349 0.000 1.110 283 V CB -2.027 29.493 31.823 -0.504 0.000 0.689 283 V HN 0.331 nan 8.190 nan 0.000 0.459 284 H N -0.067 118.966 119.070 -0.063 0.000 2.483 284 H HA 0.460 5.017 4.556 0.001 0.000 0.224 284 H C 1.595 176.900 175.328 -0.039 0.000 1.690 284 H CA 0.127 56.142 56.048 -0.056 0.000 1.217 284 H CB -0.015 29.760 29.762 0.022 0.000 1.619 284 H HN 0.426 nan 8.280 nan 0.000 0.528 285 G N 0.979 109.774 108.800 -0.008 0.000 2.200 285 G HA2 -0.341 3.619 3.960 0.001 0.000 0.268 285 G HA3 -0.341 3.619 3.960 0.001 0.000 0.268 285 G C 1.153 176.001 174.900 -0.086 0.000 0.986 285 G CA 0.703 45.759 45.100 -0.074 0.000 0.677 285 G HN 1.028 nan 8.290 nan 0.000 0.532 286 G N -1.406 107.367 108.800 -0.043 0.000 2.372 286 G HA2 0.171 4.132 3.960 0.001 0.000 0.290 286 G HA3 0.171 4.132 3.960 0.001 0.000 0.290 286 G C 0.183 175.014 174.900 -0.114 0.000 0.965 286 G CA 1.602 46.670 45.100 -0.053 0.000 1.263 286 G HN 2.107 nan 8.290 nan 0.000 0.498 287 S N -1.243 114.398 115.700 -0.098 0.000 2.588 287 S HA 0.680 5.151 4.470 0.001 0.000 0.269 287 S C 0.945 175.497 174.600 -0.080 0.000 1.157 287 S CA 0.085 58.108 58.200 -0.296 0.000 0.824 287 S CB 0.542 63.535 63.200 -0.346 0.000 1.126 287 S HN 0.955 nan 8.310 nan 0.000 0.464 288 W N 1.999 123.348 121.300 0.082 0.000 2.476 288 W HA 0.309 4.970 4.660 0.001 0.000 0.319 288 W C 1.687 178.239 176.519 0.054 0.000 1.132 288 W CA 0.946 58.341 57.345 0.082 0.000 1.325 288 W CB -1.248 28.238 29.460 0.042 0.000 1.215 288 W HN 0.565 nan 8.180 nan 0.000 0.460 289 I N 1.627 122.453 120.570 0.426 0.000 2.576 289 I HA -0.347 3.824 4.170 0.001 0.000 0.263 289 I C 2.480 178.683 176.117 0.142 0.000 1.183 289 I CA 1.622 63.061 61.300 0.231 0.000 1.432 289 I CB -0.639 37.507 38.000 0.244 0.000 1.100 289 I HN 0.205 nan 8.210 nan 0.000 0.452 290 R N 0.273 120.847 120.500 0.124 0.000 2.119 290 R HA -0.024 4.317 4.340 0.001 0.000 0.222 290 R C 2.403 178.818 176.300 0.191 0.000 1.088 290 R CA 1.215 57.389 56.100 0.124 0.000 0.984 290 R CB -0.430 29.916 30.300 0.077 0.000 0.884 290 R HN 0.423 nan 8.270 nan 0.000 0.447 291 G N 0.468 109.429 108.800 0.268 0.000 2.494 291 G HA2 -0.084 3.877 3.960 0.001 0.000 0.216 291 G HA3 -0.084 3.877 3.960 0.001 0.000 0.216 291 G C 1.325 176.554 174.900 0.550 0.000 1.140 291 G CA 0.413 45.748 45.100 0.393 0.000 0.801 291 G HN 0.333 nan 8.290 nan 0.000 0.536 292 A N 0.783 123.695 122.820 0.153 0.000 2.239 292 A HA 0.270 4.590 4.320 0.001 0.000 0.209 292 A C 1.937 179.786 177.584 0.441 0.000 1.171 292 A CA 1.016 52.966 52.037 -0.145 0.000 0.768 292 A CB -0.510 18.350 19.000 -0.233 0.000 0.790 292 A HN 0.782 nan 8.150 nan 0.000 0.478 293 I N -6.296 114.486 120.570 0.352 0.000 4.240 293 I HA 0.344 4.515 4.170 0.001 0.000 0.331 293 I C 1.476 177.805 176.117 0.352 0.000 1.381 293 I CA -0.106 61.367 61.300 0.288 0.000 1.136 293 I CB 0.128 38.188 38.000 0.101 0.000 1.137 293 I HN 0.109 nan 8.210 nan 0.000 0.411 294 Y N 1.102 121.532 120.300 0.216 0.000 2.396 294 Y HA 0.166 4.717 4.550 0.001 0.000 0.292 294 Y C 1.538 177.455 175.900 0.028 0.000 1.128 294 Y CA 1.081 59.187 58.100 0.010 0.000 1.194 294 Y CB -0.084 38.165 38.460 -0.351 0.000 1.124 294 Y HN 0.055 nan 8.280 nan 0.000 0.543 295 Y N -0.760 119.660 120.300 0.200 0.000 2.561 295 Y HA -0.060 4.490 4.550 0.001 0.000 0.291 295 Y C 1.927 178.107 175.900 0.467 0.000 1.141 295 Y CA 0.979 59.188 58.100 0.181 0.000 1.303 295 Y CB -0.473 38.175 38.460 0.314 0.000 1.015 295 Y HN 0.308 nan 8.280 nan 0.000 0.547 296 F N 0.838 121.118 119.950 0.550 0.000 2.118 296 F HA -0.099 4.429 4.527 0.001 0.000 0.293 296 F C 2.055 177.911 175.800 0.093 0.000 1.102 296 F CA 1.509 59.721 58.000 0.352 0.000 1.247 296 F CB -0.240 38.879 39.000 0.198 0.000 1.017 296 F HN -0.238 nan 8.300 nan 0.000 0.475 297 K N 0.544 121.075 120.400 0.218 0.000 2.074 297 K HA -0.218 4.103 4.320 0.001 0.000 0.209 297 K C 2.112 178.631 176.600 -0.134 0.000 1.048 297 K CA 2.210 58.507 56.287 0.016 0.000 0.926 297 K CB -0.499 32.004 32.500 0.004 0.000 0.713 297 K HN 0.376 nan 8.250 nan 0.000 0.444 298 I N 0.875 121.318 120.570 -0.212 0.000 2.142 298 I HA -0.312 3.858 4.170 0.001 0.000 0.240 298 I C 2.590 178.660 176.117 -0.079 0.000 1.078 298 I CA 1.223 62.416 61.300 -0.179 0.000 1.343 298 I CB -0.517 37.349 38.000 -0.223 0.000 1.046 298 I HN 0.202 nan 8.210 nan 0.000 0.405 299 A N 0.636 123.434 122.820 -0.036 0.000 1.841 299 A HA -0.183 4.138 4.320 0.001 0.000 0.216 299 A C 2.336 179.819 177.584 -0.168 0.000 1.199 299 A CA 1.896 53.907 52.037 -0.043 0.000 0.621 299 A CB -1.214 17.784 19.000 -0.004 0.000 0.835 299 A HN 0.220 nan 8.150 nan 0.000 0.445 300 V N -0.156 119.550 119.914 -0.347 0.000 2.794 300 V HA -0.266 3.855 4.120 0.001 0.000 0.260 300 V C 2.718 178.679 176.094 -0.222 0.000 1.103 300 V CA 1.900 63.976 62.300 -0.374 0.000 1.125 300 V CB -1.228 30.265 31.823 -0.550 0.000 0.702 300 V HN 0.675 nan 8.190 nan 0.000 0.494 301 A N -0.339 122.386 122.820 -0.159 0.000 1.862 301 A HA -0.007 4.314 4.320 0.001 0.000 0.211 301 A C 2.011 179.547 177.584 -0.080 0.000 1.220 301 A CA 1.098 53.072 52.037 -0.105 0.000 0.616 301 A CB -0.623 18.326 19.000 -0.085 0.000 0.878 301 A HN 0.384 nan 8.150 nan 0.000 0.453 302 L N 0.409 121.598 121.223 -0.056 0.000 2.103 302 L HA -0.228 4.112 4.340 0.001 0.000 0.215 302 L C 2.466 179.311 176.870 -0.041 0.000 1.080 302 L CA 2.187 57.011 54.840 -0.026 0.000 0.764 302 L CB -0.976 41.094 42.059 0.019 0.000 0.890 302 L HN 0.433 nan 8.230 nan 0.000 0.435 303 A N -0.988 121.792 122.820 -0.067 0.000 1.827 303 A HA -0.213 4.107 4.320 0.001 0.000 0.215 303 A C 2.203 179.742 177.584 -0.075 0.000 1.212 303 A CA 2.663 54.657 52.037 -0.071 0.000 0.624 303 A CB -1.409 17.508 19.000 -0.138 0.000 0.853 303 A HN 0.266 nan 8.150 nan 0.000 0.450 304 V N 0.066 119.915 119.914 -0.108 0.000 2.280 304 V HA -0.417 3.703 4.120 0.001 0.000 0.258 304 V C 3.002 179.064 176.094 -0.054 0.000 1.081 304 V CA 2.733 64.982 62.300 -0.085 0.000 1.070 304 V CB -1.492 30.281 31.823 -0.083 0.000 0.666 304 V HN 0.726 nan 8.190 nan 0.000 0.450 305 A N -0.728 122.061 122.820 -0.052 0.000 1.933 305 A HA -0.067 4.254 4.320 0.001 0.000 0.218 305 A C 2.344 179.893 177.584 -0.057 0.000 1.175 305 A CA 2.270 54.277 52.037 -0.050 0.000 0.628 305 A CB -0.619 18.355 19.000 -0.042 0.000 0.814 305 A HN 0.676 nan 8.150 nan 0.000 0.444 306 A N -0.210 122.579 122.820 -0.052 0.000 1.935 306 A HA 0.234 4.555 4.320 0.001 0.000 0.214 306 A C 1.081 178.638 177.584 -0.045 0.000 1.178 306 A CA 0.262 52.264 52.037 -0.057 0.000 0.640 306 A CB -0.461 18.508 19.000 -0.051 0.000 0.825 306 A HN 0.439 nan 8.150 nan 0.000 0.447 307 I N 3.108 123.663 120.570 -0.025 0.000 3.051 307 I HA -0.005 4.166 4.170 0.001 0.000 0.290 307 I C -1.960 174.175 176.117 0.031 0.000 1.166 307 I CA -0.944 60.353 61.300 -0.005 0.000 1.479 307 I CB -0.013 37.996 38.000 0.015 0.000 1.505 307 I HN 0.201 nan 8.210 nan 0.000 0.654 308 P HA 0.013 nan 4.420 nan 0.000 0.258 308 P C -0.434 177.037 177.300 0.285 0.000 1.214 308 P CA 0.215 63.386 63.100 0.119 0.000 0.872 308 P CB 0.303 32.085 31.700 0.137 0.000 0.890 309 E N 1.873 122.213 120.200 0.234 0.000 2.312 309 E HA 0.504 4.854 4.350 0.001 0.000 0.259 309 E C 1.564 178.417 176.600 0.423 0.000 1.122 309 E CA 0.190 56.768 56.400 0.296 0.000 0.922 309 E CB 0.023 29.838 29.700 0.191 0.000 1.109 309 E HN 0.537 nan 8.360 nan 0.000 0.442 310 G N -0.150 108.864 108.800 0.358 0.000 2.284 310 G HA2 -0.325 3.636 3.960 0.001 0.000 0.247 310 G HA3 -0.325 3.636 3.960 0.001 0.000 0.247 310 G C 0.854 175.789 174.900 0.058 0.000 1.012 310 G CA 0.385 45.658 45.100 0.288 0.000 0.618 310 G HN 0.436 nan 8.290 nan 0.000 0.521 311 L N 2.270 123.621 121.223 0.213 0.000 1.976 311 L HA -0.003 4.338 4.340 0.001 0.000 0.223 311 L C 0.611 177.285 176.870 -0.327 0.000 1.081 311 L CA 3.690 58.437 54.840 -0.154 0.000 0.784 311 L CB -1.492 40.524 42.059 -0.071 0.000 0.896 311 L HN 0.285 nan 8.230 nan 0.000 0.438 312 P HA -0.222 nan 4.420 nan 0.000 0.215 312 P C 1.573 178.776 177.300 -0.161 0.000 1.163 312 P CA 2.473 65.463 63.100 -0.183 0.000 0.894 312 P CB -0.247 31.420 31.700 -0.056 0.000 0.791 313 A N -0.986 121.767 122.820 -0.113 0.000 1.902 313 A HA -0.159 4.162 4.320 0.001 0.000 0.217 313 A C 2.329 179.800 177.584 -0.189 0.000 1.181 313 A CA 1.855 53.831 52.037 -0.102 0.000 0.623 313 A CB -1.694 17.292 19.000 -0.024 0.000 0.818 313 A HN 0.022 nan 8.150 nan 0.000 0.443 314 V N 0.295 120.011 119.914 -0.330 0.000 2.261 314 V HA -0.292 3.829 4.120 0.001 0.000 0.246 314 V C 2.401 178.253 176.094 -0.403 0.000 1.047 314 V CA 2.019 64.038 62.300 -0.468 0.000 1.015 314 V CB -0.777 30.408 31.823 -1.063 0.000 0.642 314 V HN 0.572 nan 8.190 nan 0.000 0.446 315 I N 0.287 120.618 120.570 -0.397 0.000 2.053 315 I HA -0.355 3.816 4.170 0.001 0.000 0.236 315 I C 2.575 178.558 176.117 -0.225 0.000 1.038 315 I CA 2.356 63.488 61.300 -0.280 0.000 1.304 315 I CB -0.882 36.977 38.000 -0.236 0.000 1.023 315 I HN 0.326 nan 8.210 nan 0.000 0.395 316 T N 0.122 114.561 114.554 -0.192 0.000 2.837 316 T HA -0.232 4.119 4.350 0.001 0.000 0.266 316 T C 1.612 176.203 174.700 -0.183 0.000 1.077 316 T CA 1.947 63.954 62.100 -0.156 0.000 1.133 316 T CB -0.474 68.320 68.868 -0.124 0.000 0.830 316 T HN 0.487 nan 8.240 nan 0.000 0.512 317 T N 0.760 115.172 114.554 -0.238 0.000 2.818 317 T HA -0.037 4.314 4.350 0.001 0.000 0.246 317 T C 2.353 176.849 174.700 -0.339 0.000 1.036 317 T CA 0.959 62.865 62.100 -0.323 0.000 1.160 317 T CB -0.732 67.885 68.868 -0.418 0.000 0.869 317 T HN 0.458 nan 8.240 nan 0.000 0.419 318 C N 1.568 120.678 119.300 -0.317 0.000 2.375 318 C HA -0.102 4.359 4.460 0.001 0.000 0.274 318 C C 2.630 177.504 174.990 -0.193 0.000 1.190 318 C CA 0.394 59.260 59.018 -0.253 0.000 1.775 318 C CB -1.500 26.123 27.740 -0.194 0.000 2.067 318 C HN 0.403 nan 8.230 nan 0.000 0.463 319 L N 1.509 122.632 121.223 -0.166 0.000 1.970 319 L HA -0.115 4.226 4.340 0.001 0.000 0.212 319 L C 2.679 179.475 176.870 -0.124 0.000 1.071 319 L CA 2.457 57.224 54.840 -0.122 0.000 0.751 319 L CB -1.270 40.722 42.059 -0.110 0.000 0.889 319 L HN 0.330 nan 8.230 nan 0.000 0.432 320 A N -0.780 121.951 122.820 -0.150 0.000 1.851 320 A HA -0.212 4.109 4.320 0.001 0.000 0.216 320 A C 2.279 179.775 177.584 -0.147 0.000 1.195 320 A CA 2.087 54.041 52.037 -0.140 0.000 0.622 320 A CB -1.080 17.827 19.000 -0.155 0.000 0.831 320 A HN 0.465 nan 8.150 nan 0.000 0.444 321 L N -0.550 120.546 121.223 -0.211 0.000 2.127 321 L HA -0.173 4.168 4.340 0.001 0.000 0.211 321 L C 2.734 179.520 176.870 -0.141 0.000 1.089 321 L CA 1.021 55.736 54.840 -0.208 0.000 0.757 321 L CB -0.665 41.196 42.059 -0.331 0.000 0.899 321 L HN 0.543 nan 8.230 nan 0.000 0.434 322 G N -1.174 107.549 108.800 -0.129 0.000 2.394 322 G HA2 -0.198 3.763 3.960 0.001 0.000 0.214 322 G HA3 -0.198 3.763 3.960 0.001 0.000 0.214 322 G C 1.567 176.429 174.900 -0.063 0.000 1.176 322 G CA 1.032 46.079 45.100 -0.088 0.000 0.786 322 G HN 0.245 nan 8.290 nan 0.000 0.533 323 T N 0.650 115.168 114.554 -0.059 0.000 2.720 323 T HA -0.137 4.214 4.350 0.001 0.000 0.268 323 T C 2.411 177.095 174.700 -0.027 0.000 1.037 323 T CA 1.556 63.636 62.100 -0.034 0.000 1.144 323 T CB -0.118 68.736 68.868 -0.024 0.000 0.864 323 T HN 0.270 nan 8.240 nan 0.000 0.444 324 R N 1.293 121.768 120.500 -0.041 0.000 2.083 324 R HA 0.018 4.359 4.340 0.001 0.000 0.237 324 R C 2.405 178.688 176.300 -0.027 0.000 1.137 324 R CA 1.616 57.698 56.100 -0.031 0.000 0.951 324 R CB -0.402 29.869 30.300 -0.048 0.000 0.851 324 R HN 0.270 nan 8.270 nan 0.000 0.434 325 R N -0.626 119.850 120.500 -0.039 0.000 2.081 325 R HA -0.074 4.267 4.340 0.001 0.000 0.235 325 R C 2.296 178.580 176.300 -0.027 0.000 1.131 325 R CA 2.098 58.179 56.100 -0.033 0.000 0.960 325 R CB -0.172 30.103 30.300 -0.041 0.000 0.856 325 R HN 0.302 nan 8.270 nan 0.000 0.436 326 M N -0.617 118.965 119.600 -0.030 0.000 2.086 326 M HA -0.124 4.356 4.480 0.001 0.000 0.261 326 M C 2.482 178.768 176.300 -0.024 0.000 1.067 326 M CA 1.737 57.019 55.300 -0.029 0.000 1.116 326 M CB -0.313 32.269 32.600 -0.030 0.000 1.348 326 M HN 0.240 nan 8.290 nan 0.000 0.407 327 A N 0.609 123.419 122.820 -0.017 0.000 1.917 327 A HA -0.224 4.097 4.320 0.001 0.000 0.219 327 A C 2.109 179.685 177.584 -0.013 0.000 1.182 327 A CA 1.964 53.994 52.037 -0.013 0.000 0.633 327 A CB -0.715 18.285 19.000 0.000 0.000 0.819 327 A HN 0.440 nan 8.150 nan 0.000 0.448 328 K N -0.437 119.957 120.400 -0.011 0.000 2.160 328 K HA -0.134 4.187 4.320 0.001 0.000 0.206 328 K C 1.221 177.814 176.600 -0.011 0.000 1.047 328 K CA 1.567 57.849 56.287 -0.008 0.000 0.930 328 K CB -0.119 32.378 32.500 -0.005 0.000 0.720 328 K HN 0.440 nan 8.250 nan 0.000 0.450 329 K N 0.405 120.794 120.400 -0.017 0.000 2.437 329 K HA 0.088 4.409 4.320 0.001 0.000 0.198 329 K C -0.238 176.346 176.600 -0.027 0.000 1.024 329 K CA -0.014 56.260 56.287 -0.022 0.000 1.148 329 K CB 0.338 32.822 32.500 -0.028 0.000 0.860 329 K HN 0.152 nan 8.250 nan 0.000 0.515 330 N N -0.300 118.385 118.700 -0.025 0.000 2.901 330 N HA -0.149 4.591 4.740 0.001 0.000 0.248 330 N C -0.761 174.726 175.510 -0.037 0.000 1.044 330 N CA 0.955 53.987 53.050 -0.029 0.000 0.847 330 N CB -1.213 37.258 38.487 -0.027 0.000 1.127 330 N HN 0.286 nan 8.380 nan 0.000 0.562 331 A N 1.028 123.825 122.820 -0.038 0.000 2.412 331 A HA 0.535 4.855 4.320 0.001 0.000 0.334 331 A C 0.468 178.030 177.584 -0.037 0.000 1.419 331 A CA -0.479 51.533 52.037 -0.042 0.000 0.930 331 A CB 0.211 19.184 19.000 -0.046 0.000 1.149 331 A HN 0.186 nan 8.150 nan 0.000 0.515 332 I N 3.949 124.490 120.570 -0.049 0.000 2.294 332 I HA 0.107 4.278 4.170 0.001 0.000 0.295 332 I C 0.235 176.324 176.117 -0.047 0.000 1.098 332 I CA -0.253 61.012 61.300 -0.058 0.000 1.277 332 I CB 0.108 38.041 38.000 -0.112 0.000 1.434 332 I HN 0.215 nan 8.210 nan 0.000 0.498 333 V N 8.374 128.290 119.914 0.002 0.000 2.521 333 V HA 0.116 4.237 4.120 0.001 0.000 0.286 333 V C 1.595 177.745 176.094 0.094 0.000 1.034 333 V CA -0.035 62.283 62.300 0.029 0.000 1.045 333 V CB 0.586 32.430 31.823 0.036 0.000 0.974 333 V HN 0.674 nan 8.190 nan 0.000 0.480 334 R N 2.061 122.598 120.500 0.063 0.000 2.265 334 R HA 0.162 4.503 4.340 0.001 0.000 0.194 334 R C 0.627 177.024 176.300 0.163 0.000 0.931 334 R CA 0.280 56.460 56.100 0.134 0.000 1.032 334 R CB 0.552 30.864 30.300 0.021 0.000 0.980 334 R HN 0.582 nan 8.270 nan 0.000 0.497 335 S N 0.663 116.413 115.700 0.083 0.000 2.745 335 S HA 0.269 4.739 4.470 0.001 0.000 0.283 335 S C 0.940 175.554 174.600 0.023 0.000 1.170 335 S CA -0.567 57.662 58.200 0.048 0.000 1.119 335 S CB 0.565 63.781 63.200 0.027 0.000 1.035 335 S HN 0.141 nan 8.310 nan 0.000 0.483 336 L N 5.239 126.468 121.223 0.010 0.000 1.997 336 L HA -0.069 4.272 4.340 0.001 0.000 0.216 336 L C -0.304 176.557 176.870 -0.015 0.000 1.074 336 L CA 1.757 56.590 54.840 -0.012 0.000 0.763 336 L CB -1.449 40.589 42.059 -0.035 0.000 0.890 336 L HN 0.535 nan 8.230 nan 0.000 0.434 337 P HA -0.199 nan 4.420 nan 0.000 0.219 337 P C 1.579 178.873 177.300 -0.010 0.000 1.144 337 P CA 2.061 65.153 63.100 -0.013 0.000 0.806 337 P CB -0.061 31.633 31.700 -0.009 0.000 0.771 338 S N 0.004 115.700 115.700 -0.008 0.000 2.395 338 S HA -0.089 4.382 4.470 0.001 0.000 0.225 338 S C 2.087 176.679 174.600 -0.014 0.000 1.027 338 S CA 1.051 59.246 58.200 -0.009 0.000 0.965 338 S CB -1.788 61.408 63.200 -0.006 0.000 0.812 338 S HN 0.121 nan 8.310 nan 0.000 0.482 339 V N 0.664 120.570 119.914 -0.014 0.000 2.660 339 V HA -0.198 3.923 4.120 0.001 0.000 0.257 339 V C 2.343 178.425 176.094 -0.019 0.000 1.088 339 V CA 2.276 64.565 62.300 -0.019 0.000 1.106 339 V CB -1.246 30.564 31.823 -0.021 0.000 0.686 339 V HN 0.658 nan 8.190 nan 0.000 0.481 340 E N 1.650 121.841 120.200 -0.016 0.000 2.031 340 E HA -0.263 4.088 4.350 0.001 0.000 0.193 340 E C 2.350 178.931 176.600 -0.031 0.000 0.994 340 E CA 2.483 58.876 56.400 -0.012 0.000 0.800 340 E CB -0.391 29.305 29.700 -0.007 0.000 0.752 340 E HN 0.891 nan 8.360 nan 0.000 0.447 341 T N 0.196 114.732 114.554 -0.030 0.000 2.708 341 T HA -0.222 4.129 4.350 0.001 0.000 0.266 341 T C 2.057 176.730 174.700 -0.044 0.000 1.037 341 T CA 1.272 63.349 62.100 -0.037 0.000 1.146 341 T CB -0.704 68.148 68.868 -0.026 0.000 0.865 341 T HN 0.190 nan 8.240 nan 0.000 0.435 342 L N 2.304 123.505 121.223 -0.038 0.000 2.198 342 L HA -0.071 4.270 4.340 0.001 0.000 0.218 342 L C 2.410 179.249 176.870 -0.052 0.000 1.084 342 L CA 2.125 56.940 54.840 -0.042 0.000 0.779 342 L CB -0.970 41.066 42.059 -0.038 0.000 0.890 342 L HN 0.545 nan 8.230 nan 0.000 0.439 343 G N -3.354 105.408 108.800 -0.063 0.000 3.088 343 G HA2 -0.017 3.943 3.960 0.001 0.000 0.212 343 G HA3 -0.017 3.943 3.960 0.001 0.000 0.212 343 G C 0.946 175.785 174.900 -0.101 0.000 1.173 343 G CA 0.489 45.540 45.100 -0.081 0.000 0.779 343 G HN 0.505 nan 8.290 nan 0.000 0.540 344 C N 0.855 120.104 119.300 -0.084 0.000 3.104 344 C HA 0.248 4.709 4.460 0.001 0.000 0.284 344 C C 1.171 176.132 174.990 -0.049 0.000 1.326 344 C CA -0.695 58.276 59.018 -0.079 0.000 1.725 344 C CB -0.891 26.802 27.740 -0.078 0.000 2.156 344 C HN 0.262 nan 8.230 nan 0.000 0.638 345 T N 2.034 116.562 114.554 -0.043 0.000 2.871 345 T HA 0.124 4.475 4.350 0.001 0.000 0.296 345 T C 1.100 175.789 174.700 -0.019 0.000 0.998 345 T CA 0.744 62.828 62.100 -0.027 0.000 1.162 345 T CB 0.500 69.349 68.868 -0.032 0.000 0.947 345 T HN 0.655 nan 8.240 nan 0.000 0.536 346 S N 0.999 116.697 115.700 -0.002 0.000 2.666 346 S HA 0.429 4.900 4.470 0.001 0.000 0.239 346 S C 0.071 174.684 174.600 0.020 0.000 1.031 346 S CA -0.490 57.713 58.200 0.005 0.000 1.015 346 S CB 0.428 63.633 63.200 0.008 0.000 0.981 346 S HN 0.439 nan 8.310 nan 0.000 0.547 347 V N 2.113 122.044 119.914 0.029 0.000 2.823 347 V HA 0.442 4.563 4.120 0.001 0.000 0.296 347 V C -1.373 174.754 176.094 0.055 0.000 1.250 347 V CA -0.709 61.619 62.300 0.048 0.000 0.939 347 V CB 1.836 33.695 31.823 0.060 0.000 1.062 347 V HN 0.404 nan 8.190 nan 0.000 0.433 348 I N 3.279 123.897 120.570 0.080 0.000 2.404 348 I HA 0.494 4.665 4.170 0.001 0.000 0.293 348 I C -0.458 175.732 176.117 0.121 0.000 0.992 348 I CA -0.332 61.032 61.300 0.107 0.000 1.149 348 I CB 1.771 39.869 38.000 0.163 0.000 1.315 348 I HN 0.511 nan 8.210 nan 0.000 0.446 349 C N 4.594 123.953 119.300 0.098 0.000 2.264 349 C HA 0.543 5.004 4.460 0.001 0.000 0.322 349 C C 0.505 175.544 174.990 0.083 0.000 1.210 349 C CA -0.276 58.791 59.018 0.083 0.000 1.539 349 C CB 0.227 27.998 27.740 0.053 0.000 2.167 349 C HN 0.801 nan 8.230 nan 0.000 0.463 350 S N 2.377 118.121 115.700 0.075 0.000 2.566 350 S HA 0.508 4.979 4.470 0.001 0.000 0.298 350 S C -0.863 173.739 174.600 0.003 0.000 1.083 350 S CA -0.511 57.727 58.200 0.064 0.000 0.978 350 S CB 0.868 64.144 63.200 0.127 0.000 1.073 350 S HN 0.729 nan 8.310 nan 0.000 0.491 351 D N 2.247 122.652 120.400 0.008 0.000 2.283 351 D HA 0.211 4.851 4.640 0.001 0.000 0.248 351 D C 0.711 176.990 176.300 -0.035 0.000 1.072 351 D CA -0.307 53.688 54.000 -0.007 0.000 0.929 351 D CB 1.420 42.220 40.800 0.001 0.000 1.182 351 D HN 0.561 nan 8.370 nan 0.000 0.433 352 K N 0.587 120.962 120.400 -0.041 0.000 1.997 352 K HA -0.051 4.269 4.320 0.001 0.000 0.212 352 K C 0.574 177.148 176.600 -0.043 0.000 1.033 352 K CA 0.480 56.730 56.287 -0.062 0.000 0.950 352 K CB -0.250 32.218 32.500 -0.052 0.000 0.751 352 K HN 0.259 nan 8.250 nan 0.000 0.444 353 T N 0.142 114.680 114.554 -0.027 0.000 2.750 353 T HA 0.098 4.449 4.350 0.001 0.000 0.277 353 T C 0.725 175.416 174.700 -0.014 0.000 0.996 353 T CA 1.207 63.295 62.100 -0.019 0.000 1.195 353 T CB -0.147 68.715 68.868 -0.010 0.000 0.963 353 T HN 0.688 nan 8.240 nan 0.000 0.516 354 G N 4.017 112.807 108.800 -0.017 0.000 2.363 354 G HA2 -0.325 3.636 3.960 0.001 0.000 0.238 354 G HA3 -0.325 3.636 3.960 0.001 0.000 0.238 354 G C 1.145 176.046 174.900 0.001 0.000 1.062 354 G CA 0.786 45.880 45.100 -0.010 0.000 0.629 354 G HN 0.703 nan 8.290 nan 0.000 0.514 355 T N 0.206 114.764 114.554 0.007 0.000 3.044 355 T HA 0.351 4.701 4.350 0.001 0.000 0.237 355 T C 2.327 177.055 174.700 0.048 0.000 1.001 355 T CA 1.153 63.279 62.100 0.042 0.000 1.160 355 T CB 0.051 68.955 68.868 0.060 0.000 0.889 355 T HN 0.186 nan 8.240 nan 0.000 0.442 356 L N 0.286 121.489 121.223 -0.034 0.000 2.354 356 L HA 0.240 4.581 4.340 0.001 0.000 0.212 356 L C 0.840 177.665 176.870 -0.075 0.000 1.091 356 L CA 0.710 55.479 54.840 -0.117 0.000 0.828 356 L CB 0.356 42.260 42.059 -0.259 0.000 0.973 356 L HN 0.160 nan 8.230 nan 0.000 0.461 357 T N -2.081 112.439 114.554 -0.056 0.000 2.907 357 T HA 0.171 4.521 4.350 0.001 0.000 0.292 357 T C 1.029 175.703 174.700 -0.043 0.000 1.043 357 T CA -0.029 62.040 62.100 -0.052 0.000 1.003 357 T CB 1.988 70.822 68.868 -0.056 0.000 1.084 357 T HN 0.177 nan 8.240 nan 0.000 0.483 358 T N 0.264 114.784 114.554 -0.056 0.000 2.985 358 T HA -0.008 4.342 4.350 0.001 0.000 0.266 358 T C 1.056 175.708 174.700 -0.080 0.000 1.076 358 T CA 1.378 63.435 62.100 -0.071 0.000 1.135 358 T CB -0.413 68.391 68.868 -0.106 0.000 0.890 358 T HN 0.837 nan 8.240 nan 0.000 0.480 359 N N 0.786 119.443 118.700 -0.073 0.000 2.741 359 N HA -0.175 4.566 4.740 0.001 0.000 0.250 359 N C -1.102 174.360 175.510 -0.079 0.000 1.115 359 N CA 0.378 53.396 53.050 -0.053 0.000 0.724 359 N CB -0.850 37.623 38.487 -0.025 0.000 1.090 359 N HN 0.723 nan 8.380 nan 0.000 0.558 360 Q N 0.725 120.403 119.800 -0.202 0.000 2.327 360 Q HA 0.347 4.687 4.340 0.001 0.000 0.270 360 Q C -0.117 175.672 176.000 -0.352 0.000 1.022 360 Q CA -0.736 54.773 55.803 -0.490 0.000 0.773 360 Q CB 1.536 29.696 28.738 -0.963 0.000 1.251 360 Q HN 0.167 nan 8.270 nan 0.000 0.457 361 M N 1.689 121.273 119.600 -0.026 0.000 2.249 361 M HA 0.138 4.619 4.480 0.001 0.000 0.340 361 M C -0.368 175.959 176.300 0.045 0.000 1.166 361 M CA 0.863 56.199 55.300 0.061 0.000 1.115 361 M CB 0.371 33.064 32.600 0.155 0.000 1.606 361 M HN 0.521 nan 8.290 nan 0.000 0.448 362 S N 2.110 117.812 115.700 0.004 0.000 2.575 362 S HA 0.517 4.987 4.470 0.001 0.000 0.278 362 S C -0.699 173.902 174.600 0.001 0.000 1.139 362 S CA -0.915 57.285 58.200 -0.000 0.000 0.954 362 S CB 1.908 65.076 63.200 -0.053 0.000 1.054 362 S HN 0.438 nan 8.310 nan 0.000 0.483 363 V N 2.540 122.461 119.914 0.012 0.000 2.488 363 V HA 0.158 4.279 4.120 0.001 0.000 0.277 363 V C 1.154 177.232 176.094 -0.026 0.000 1.046 363 V CA -0.274 62.028 62.300 0.002 0.000 0.986 363 V CB 0.503 32.336 31.823 0.017 0.000 0.989 363 V HN 1.221 nan 8.190 nan 0.000 0.475 364 C N 2.793 122.056 119.300 -0.062 0.000 3.559 364 C HA 0.513 4.973 4.460 0.001 0.000 0.314 364 C C 0.413 175.318 174.990 -0.142 0.000 1.419 364 C CA -0.551 58.413 59.018 -0.090 0.000 1.775 364 C CB -0.898 26.779 27.740 -0.104 0.000 2.430 364 C HN 0.769 nan 8.230 nan 0.000 0.686 365 K N 1.676 121.964 120.400 -0.186 0.000 2.498 365 K HA 0.712 5.033 4.320 0.001 0.000 0.254 365 K C -1.067 175.523 176.600 -0.017 0.000 0.933 365 K CA -0.261 55.834 56.287 -0.319 0.000 0.806 365 K CB 2.230 34.118 32.500 -1.020 0.000 1.301 365 K HN 0.595 nan 8.250 nan 0.000 0.432 366 M N 1.145 120.937 119.600 0.320 0.000 2.490 366 M HA 0.586 5.067 4.480 0.001 0.000 0.286 366 M C -1.840 174.904 176.300 0.740 0.000 1.185 366 M CA -0.888 54.757 55.300 0.575 0.000 0.912 366 M CB 1.638 34.398 32.600 0.266 0.000 1.744 366 M HN 0.557 nan 8.290 nan 0.000 0.494 367 F N 2.039 122.247 119.950 0.429 0.000 2.726 367 F HA 0.985 5.513 4.527 0.001 0.000 0.324 367 F C -1.507 174.409 175.800 0.194 0.000 1.140 367 F CA -1.001 57.150 58.000 0.252 0.000 0.964 367 F CB 1.319 40.369 39.000 0.083 0.000 1.399 367 F HN 0.876 nan 8.300 nan 0.000 0.491 368 I N -1.279 119.435 120.570 0.239 0.000 3.099 368 I HA 0.525 4.696 4.170 0.001 0.000 0.308 368 I C -1.645 174.672 176.117 0.333 0.000 1.405 368 I CA -1.275 60.105 61.300 0.133 0.000 0.953 368 I CB 1.783 39.825 38.000 0.069 0.000 1.324 368 I HN 0.558 nan 8.210 nan 0.000 0.495 369 I N 2.375 123.129 120.570 0.306 0.000 2.696 369 I HA 0.172 4.342 4.170 0.001 0.000 0.284 369 I C 0.745 176.984 176.117 0.202 0.000 1.129 369 I CA 0.680 62.138 61.300 0.264 0.000 1.410 369 I CB 0.329 38.477 38.000 0.247 0.000 1.399 369 I HN 0.705 nan 8.210 nan 0.000 0.579 370 D N 3.539 124.039 120.400 0.167 0.000 2.943 370 D HA 0.187 4.827 4.640 0.001 0.000 0.282 370 D C 0.060 176.434 176.300 0.122 0.000 1.148 370 D CA 0.967 55.058 54.000 0.151 0.000 1.006 370 D CB 0.601 41.477 40.800 0.127 0.000 1.168 370 D HN 0.442 nan 8.370 nan 0.000 0.450 371 K N -0.877 119.585 120.400 0.104 0.000 2.482 371 K HA 0.547 4.868 4.320 0.001 0.000 0.257 371 K C -0.510 176.142 176.600 0.085 0.000 0.969 371 K CA -0.662 55.677 56.287 0.087 0.000 0.842 371 K CB 3.371 35.916 32.500 0.075 0.000 1.359 371 K HN -0.188 nan 8.250 nan 0.000 0.441 372 V N -1.607 118.349 119.914 0.071 0.000 3.643 372 V HA -0.042 4.079 4.120 0.001 0.000 0.271 372 V C 0.552 176.664 176.094 0.031 0.000 1.698 372 V CA -0.180 62.157 62.300 0.061 0.000 1.113 372 V CB 0.454 32.316 31.823 0.064 0.000 0.930 372 V HN 0.667 nan 8.190 nan 0.000 0.395 373 D N 3.089 123.506 120.400 0.028 0.000 2.172 373 D HA -0.136 4.504 4.640 0.001 0.000 0.196 373 D C 1.893 178.178 176.300 -0.025 0.000 0.999 373 D CA 2.101 56.105 54.000 0.007 0.000 0.856 373 D CB -0.079 40.730 40.800 0.015 0.000 0.934 373 D HN 0.602 nan 8.370 nan 0.000 0.453 374 G N 0.168 108.953 108.800 -0.026 0.000 3.591 374 G HA2 0.050 4.010 3.960 0.001 0.000 0.282 374 G HA3 0.050 4.010 3.960 0.001 0.000 0.282 374 G C -0.218 174.524 174.900 -0.263 0.000 1.238 374 G CA -0.294 44.751 45.100 -0.091 0.000 0.993 374 G HN -0.088 nan 8.290 nan 0.000 0.542 375 D N -0.943 119.325 120.400 -0.220 0.000 3.059 375 D HA -0.173 4.468 4.640 0.001 0.000 0.222 375 D C -0.475 175.625 176.300 -0.333 0.000 1.185 375 D CA 1.207 55.019 54.000 -0.314 0.000 0.904 375 D CB -1.114 39.416 40.800 -0.449 0.000 1.122 375 D HN 0.377 nan 8.370 nan 0.000 0.410 376 F N 0.564 120.513 119.950 -0.003 0.000 2.659 376 F HA 0.303 4.831 4.527 0.001 0.000 0.342 376 F C 0.634 176.432 175.800 -0.004 0.000 1.168 376 F CA -1.775 56.219 58.000 -0.009 0.000 1.003 376 F CB 1.076 40.070 39.000 -0.011 0.000 1.267 376 F HN 0.037 nan 8.300 nan 0.000 0.463 377 C N 1.588 120.995 119.300 0.178 0.000 2.341 377 C HA 0.925 5.385 4.460 0.001 0.000 0.338 377 C C 0.457 175.488 174.990 0.067 0.000 1.257 377 C CA -0.510 58.571 59.018 0.106 0.000 1.883 377 C CB 0.324 28.116 27.740 0.087 0.000 2.334 377 C HN 0.863 nan 8.230 nan 0.000 0.524 378 S N 3.814 119.552 115.700 0.063 0.000 2.758 378 S HA 0.881 5.351 4.470 0.001 0.000 0.292 378 S C -0.589 174.043 174.600 0.053 0.000 1.131 378 S CA -0.738 57.480 58.200 0.030 0.000 0.997 378 S CB 0.780 63.999 63.200 0.032 0.000 1.111 378 S HN 0.895 nan 8.310 nan 0.000 0.552 379 L N -0.163 121.077 121.223 0.029 0.000 2.322 379 L HA 0.564 4.905 4.340 0.001 0.000 0.252 379 L C -0.737 176.159 176.870 0.042 0.000 1.055 379 L CA -1.072 53.825 54.840 0.095 0.000 0.849 379 L CB 1.550 43.668 42.059 0.098 0.000 1.446 379 L HN 0.574 nan 8.230 nan 0.000 0.416 380 N N 1.381 120.121 118.700 0.068 0.000 2.558 380 N HA 0.269 5.009 4.740 0.001 0.000 0.242 380 N C -1.327 173.991 175.510 -0.320 0.000 0.979 380 N CA -0.292 52.638 53.050 -0.200 0.000 0.931 380 N CB 1.540 39.967 38.487 -0.100 0.000 1.122 380 N HN 0.562 nan 8.380 nan 0.000 0.508 381 E N 1.939 121.912 120.200 -0.379 0.000 2.174 381 E HA 0.366 4.716 4.350 0.001 0.000 0.282 381 E C -0.742 175.575 176.600 -0.473 0.000 0.992 381 E CA -0.309 56.016 56.400 -0.125 0.000 0.803 381 E CB 1.215 30.973 29.700 0.098 0.000 1.090 381 E HN 0.299 nan 8.360 nan 0.000 0.396 382 F N 0.677 120.701 119.950 0.124 0.000 2.561 382 F HA 0.363 4.891 4.527 0.001 0.000 0.321 382 F C 0.333 176.133 175.800 -0.000 0.000 1.065 382 F CA -0.840 57.165 58.000 0.008 0.000 0.934 382 F CB 1.901 40.866 39.000 -0.058 0.000 1.215 382 F HN 0.258 nan 8.300 nan 0.000 0.471 383 S N 1.526 117.316 115.700 0.149 0.000 2.532 383 S HA 0.885 5.356 4.470 0.001 0.000 0.301 383 S C -1.100 173.521 174.600 0.035 0.000 1.083 383 S CA -0.681 57.537 58.200 0.030 0.000 1.025 383 S CB 1.927 65.118 63.200 -0.015 0.000 1.056 383 S HN 0.348 nan 8.310 nan 0.000 0.494 384 I N 1.962 122.527 120.570 -0.008 0.000 2.465 384 I HA 0.461 4.631 4.170 0.001 0.000 0.291 384 I C 0.657 176.760 176.117 -0.023 0.000 1.014 384 I CA -0.322 60.972 61.300 -0.010 0.000 1.093 384 I CB 2.217 40.209 38.000 -0.014 0.000 1.267 384 I HN 0.921 nan 8.210 nan 0.000 0.431 385 T N 1.673 116.218 114.554 -0.016 0.000 2.881 385 T HA 0.824 5.175 4.350 0.001 0.000 0.278 385 T C 0.298 174.987 174.700 -0.020 0.000 0.982 385 T CA -0.211 61.878 62.100 -0.018 0.000 0.989 385 T CB 1.377 70.240 68.868 -0.009 0.000 1.058 385 T HN 1.501 nan 8.240 nan 0.000 0.529 386 G N 0.194 108.983 108.800 -0.019 0.000 3.172 386 G HA2 0.017 3.978 3.960 0.001 0.000 0.686 386 G HA3 0.017 3.978 3.960 0.001 0.000 0.686 386 G C -0.117 174.763 174.900 -0.034 0.000 1.009 386 G CA -0.327 44.761 45.100 -0.020 0.000 0.787 386 G HN 1.025 nan 8.290 nan 0.000 0.559 387 S N 1.068 116.743 115.700 -0.043 0.000 2.525 387 S HA 0.652 5.122 4.470 0.001 0.000 0.242 387 S C 0.538 175.067 174.600 -0.118 0.000 1.164 387 S CA 0.527 58.684 58.200 -0.071 0.000 1.154 387 S CB 0.889 64.052 63.200 -0.062 0.000 0.875 387 S HN 1.467 nan 8.310 nan 0.000 0.482 388 T N -1.171 113.306 114.554 -0.128 0.000 2.665 388 T HA 0.418 4.769 4.350 0.001 0.000 0.303 388 T C -0.878 173.719 174.700 -0.170 0.000 1.334 388 T CA -0.394 61.567 62.100 -0.231 0.000 1.011 388 T CB 0.273 69.074 68.868 -0.111 0.000 1.573 388 T HN 0.005 nan 8.240 nan 0.000 0.492 389 Y N 0.944 121.262 120.300 0.030 0.000 2.553 389 Y HA 0.538 5.089 4.550 0.001 0.000 0.303 389 Y C 1.423 177.294 175.900 -0.048 0.000 1.194 389 Y CA -0.164 57.941 58.100 0.008 0.000 1.305 389 Y CB -0.899 37.587 38.460 0.043 0.000 1.045 389 Y HN 0.637 nan 8.280 nan 0.000 0.514 390 A N 0.711 123.584 122.820 0.089 0.000 2.366 390 A HA 0.323 4.644 4.320 0.001 0.000 0.272 390 A C -1.432 176.048 177.584 -0.173 0.000 1.135 390 A CA -1.360 50.628 52.037 -0.082 0.000 0.804 390 A CB 0.383 19.515 19.000 0.221 0.000 1.064 390 A HN 0.084 nan 8.150 nan 0.000 0.499 391 P HA -0.145 nan 4.420 nan 0.000 0.223 391 P C -0.076 177.165 177.300 -0.098 0.000 1.140 391 P CA 1.144 64.115 63.100 -0.216 0.000 0.783 391 P CB 0.087 31.624 31.700 -0.272 0.000 0.759 392 E N -0.194 119.972 120.200 -0.056 0.000 2.373 392 E HA 0.464 4.815 4.350 0.001 0.000 0.267 392 E C 0.898 177.489 176.600 -0.015 0.000 1.032 392 E CA 0.617 57.010 56.400 -0.012 0.000 0.889 392 E CB 0.095 29.810 29.700 0.025 0.000 0.984 392 E HN 0.113 nan 8.360 nan 0.000 0.425 393 G N 1.749 110.543 108.800 -0.011 0.000 2.339 393 G HA2 0.225 4.186 3.960 0.001 0.000 0.381 393 G HA3 0.225 4.186 3.960 0.001 0.000 0.381 393 G C -1.629 173.263 174.900 -0.012 0.000 1.400 393 G CA -0.786 44.307 45.100 -0.011 0.000 1.002 393 G HN 0.542 nan 8.290 nan 0.000 0.633 394 E N -1.182 119.012 120.200 -0.009 0.000 2.366 394 E HA 0.622 4.973 4.350 0.001 0.000 0.278 394 E C -0.983 175.615 176.600 -0.004 0.000 0.923 394 E CA -1.119 55.276 56.400 -0.007 0.000 0.761 394 E CB 2.402 32.103 29.700 0.002 0.000 1.231 394 E HN 0.527 nan 8.360 nan 0.000 0.443 395 V N 2.523 122.430 119.914 -0.013 0.000 2.555 395 V HA 0.193 4.313 4.120 0.001 0.000 0.286 395 V C -0.377 175.747 176.094 0.050 0.000 1.044 395 V CA -0.207 62.088 62.300 -0.008 0.000 1.026 395 V CB 0.426 32.192 31.823 -0.095 0.000 0.981 395 V HN 0.490 nan 8.190 nan 0.000 0.480 396 L N 4.885 126.172 121.223 0.106 0.000 2.354 396 L HA 0.668 5.009 4.340 0.001 0.000 0.264 396 L C -0.316 176.682 176.870 0.213 0.000 1.008 396 L CA -0.504 54.416 54.840 0.133 0.000 0.819 396 L CB 1.902 44.002 42.059 0.070 0.000 1.339 396 L HN 0.634 nan 8.230 nan 0.000 0.420 397 K N 1.967 122.459 120.400 0.154 0.000 2.541 397 K HA 0.398 4.719 4.320 0.001 0.000 0.250 397 K C -0.792 175.822 176.600 0.024 0.000 0.950 397 K CA -0.438 55.875 56.287 0.044 0.000 0.805 397 K CB 0.798 33.326 32.500 0.047 0.000 1.166 397 K HN 0.599 nan 8.250 nan 0.000 0.430 398 N N 4.455 123.146 118.700 -0.014 0.000 2.714 398 N HA -0.182 4.559 4.740 0.001 0.000 0.253 398 N C -0.983 174.536 175.510 0.016 0.000 1.024 398 N CA 1.566 54.615 53.050 -0.001 0.000 0.726 398 N CB -0.866 37.623 38.487 0.004 0.000 0.908 398 N HN 1.001 nan 8.380 nan 0.000 0.542 399 D N -2.307 118.103 120.400 0.016 0.000 3.059 399 D HA -0.220 4.421 4.640 0.001 0.000 0.222 399 D C 0.034 176.352 176.300 0.031 0.000 1.185 399 D CA 1.352 55.364 54.000 0.019 0.000 0.904 399 D CB -0.441 40.366 40.800 0.010 0.000 1.122 399 D HN 0.605 nan 8.370 nan 0.000 0.410 400 K N 0.168 120.596 120.400 0.046 0.000 2.259 400 K HA 0.458 4.779 4.320 0.001 0.000 0.252 400 K C -2.669 173.978 176.600 0.080 0.000 0.936 400 K CA -1.728 54.593 56.287 0.057 0.000 0.810 400 K CB 2.303 34.839 32.500 0.060 0.000 1.143 400 K HN -0.210 nan 8.250 nan 0.000 0.427 401 P HA 0.139 nan 4.420 nan 0.000 0.271 401 P C -1.030 176.331 177.300 0.101 0.000 1.216 401 P CA -0.250 62.895 63.100 0.074 0.000 0.776 401 P CB 0.423 32.152 31.700 0.049 0.000 0.881 402 I N -1.393 119.246 120.570 0.115 0.000 3.006 402 I HA 0.548 4.718 4.170 0.001 0.000 0.306 402 I C -0.682 175.496 176.117 0.102 0.000 1.250 402 I CA -1.402 59.994 61.300 0.159 0.000 0.996 402 I CB 1.862 40.058 38.000 0.328 0.000 1.261 402 I HN 0.029 nan 8.210 nan 0.000 0.442 403 R N 1.791 122.346 120.500 0.093 0.000 2.340 403 R HA 0.430 4.771 4.340 0.001 0.000 0.300 403 R C 0.675 176.998 176.300 0.038 0.000 1.069 403 R CA -0.231 55.889 56.100 0.033 0.000 0.984 403 R CB 1.183 31.485 30.300 0.004 0.000 1.003 403 R HN 0.839 nan 8.270 nan 0.000 0.459 404 S N 1.794 117.465 115.700 -0.048 0.000 2.399 404 S HA -0.126 4.345 4.470 0.001 0.000 0.231 404 S C 1.871 176.424 174.600 -0.079 0.000 1.022 404 S CA 1.351 59.480 58.200 -0.118 0.000 0.983 404 S CB 0.002 63.104 63.200 -0.163 0.000 0.803 404 S HN 0.924 nan 8.310 nan 0.000 0.480 405 G N 1.082 109.820 108.800 -0.104 0.000 2.484 405 G HA2 -0.149 3.811 3.960 0.001 0.000 0.218 405 G HA3 -0.149 3.811 3.960 0.001 0.000 0.218 405 G C 1.232 176.053 174.900 -0.131 0.000 1.130 405 G CA 0.158 45.153 45.100 -0.175 0.000 0.784 405 G HN 0.507 nan 8.290 nan 0.000 0.543 406 Q N -0.871 118.881 119.800 -0.079 0.000 2.369 406 Q HA 0.073 4.414 4.340 0.001 0.000 0.206 406 Q C -0.201 175.618 176.000 -0.303 0.000 0.963 406 Q CA 0.284 55.978 55.803 -0.182 0.000 0.894 406 Q CB 0.093 28.703 28.738 -0.213 0.000 0.965 406 Q HN 0.495 nan 8.270 nan 0.000 0.475 407 F N 0.604 120.507 119.950 -0.078 0.000 2.308 407 F HA 0.146 4.674 4.527 0.001 0.000 0.370 407 F C 0.364 176.118 175.800 -0.077 0.000 1.100 407 F CA -0.836 57.142 58.000 -0.037 0.000 1.108 407 F CB 1.246 40.238 39.000 -0.014 0.000 1.293 407 F HN -0.093 nan 8.300 nan 0.000 0.478 408 D N 1.953 122.383 120.400 0.049 0.000 2.182 408 D HA -0.159 4.482 4.640 0.001 0.000 0.201 408 D C 2.364 178.679 176.300 0.025 0.000 0.986 408 D CA 1.524 55.524 54.000 0.001 0.000 0.847 408 D CB 0.042 40.837 40.800 -0.008 0.000 0.942 408 D HN 0.742 nan 8.370 nan 0.000 0.467 409 G N 0.465 109.318 108.800 0.089 0.000 2.442 409 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 409 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 409 G C 1.526 176.425 174.900 -0.002 0.000 1.141 409 G CA 0.329 45.464 45.100 0.058 0.000 0.763 409 G HN 0.248 nan 8.290 nan 0.000 0.554 410 L N 0.344 121.564 121.223 -0.006 0.000 2.141 410 L HA -0.076 4.265 4.340 0.001 0.000 0.209 410 L C 2.962 179.768 176.870 -0.107 0.000 1.094 410 L CA 0.309 55.091 54.840 -0.096 0.000 0.763 410 L CB -0.385 41.562 42.059 -0.186 0.000 0.908 410 L HN 0.092 nan 8.230 nan 0.000 0.437 411 V N -0.007 119.844 119.914 -0.106 0.000 2.469 411 V HA -0.313 3.808 4.120 0.001 0.000 0.251 411 V C 2.406 178.462 176.094 -0.063 0.000 1.064 411 V CA 2.137 64.362 62.300 -0.126 0.000 1.066 411 V CB -0.469 31.248 31.823 -0.177 0.000 0.667 411 V HN 0.537 nan 8.190 nan 0.000 0.461 412 E N -0.166 119.999 120.200 -0.058 0.000 2.122 412 E HA -0.117 4.233 4.350 0.001 0.000 0.190 412 E C 2.229 178.758 176.600 -0.118 0.000 0.977 412 E CA 0.542 56.903 56.400 -0.064 0.000 0.820 412 E CB 0.008 29.702 29.700 -0.011 0.000 0.770 412 E HN 0.580 nan 8.360 nan 0.000 0.462 413 L N 0.646 121.801 121.223 -0.113 0.000 2.042 413 L HA -0.191 4.150 4.340 0.001 0.000 0.210 413 L C 2.422 179.211 176.870 -0.135 0.000 1.076 413 L CA 1.766 56.526 54.840 -0.133 0.000 0.749 413 L CB -0.342 41.641 42.059 -0.127 0.000 0.893 413 L HN 0.218 nan 8.230 nan 0.000 0.432 414 A N -0.677 122.071 122.820 -0.121 0.000 1.845 414 A HA -0.235 4.085 4.320 0.001 0.000 0.215 414 A C 2.218 179.708 177.584 -0.156 0.000 1.195 414 A CA 2.434 54.406 52.037 -0.109 0.000 0.616 414 A CB -1.328 17.630 19.000 -0.070 0.000 0.832 414 A HN 0.512 nan 8.150 nan 0.000 0.443 415 T N 0.501 114.943 114.554 -0.188 0.000 2.721 415 T HA -0.208 4.142 4.350 0.001 0.000 0.268 415 T C 1.732 176.099 174.700 -0.555 0.000 1.038 415 T CA 1.829 63.721 62.100 -0.348 0.000 1.145 415 T CB -0.542 68.084 68.868 -0.403 0.000 0.858 415 T HN 0.450 nan 8.240 nan 0.000 0.459 416 I N 0.260 120.559 120.570 -0.451 0.000 2.235 416 I HA -0.114 4.056 4.170 0.001 0.000 0.241 416 I C 2.699 178.694 176.117 -0.204 0.000 1.085 416 I CA 0.706 61.788 61.300 -0.364 0.000 1.378 416 I CB -0.480 37.425 38.000 -0.160 0.000 1.076 416 I HN 0.274 nan 8.210 nan 0.000 0.415 417 C N 0.967 120.177 119.300 -0.149 0.000 2.403 417 C HA -0.195 4.266 4.460 0.001 0.000 0.277 417 C C 3.153 178.082 174.990 -0.101 0.000 1.248 417 C CA 1.141 60.102 59.018 -0.096 0.000 1.762 417 C CB -1.266 26.427 27.740 -0.077 0.000 2.014 417 C HN 0.607 nan 8.230 nan 0.000 0.486 418 A N -0.390 122.348 122.820 -0.137 0.000 1.897 418 A HA 0.035 4.356 4.320 0.001 0.000 0.215 418 A C 2.067 179.575 177.584 -0.126 0.000 1.181 418 A CA 1.237 53.201 52.037 -0.123 0.000 0.620 418 A CB -0.364 18.559 19.000 -0.130 0.000 0.821 418 A HN 0.593 nan 8.150 nan 0.000 0.443 419 L N -1.690 119.423 121.223 -0.183 0.000 2.298 419 L HA 0.046 4.386 4.340 0.001 0.000 0.209 419 L C 1.478 178.315 176.870 -0.054 0.000 1.084 419 L CA 0.152 54.914 54.840 -0.131 0.000 0.816 419 L CB -0.051 41.893 42.059 -0.191 0.000 0.967 419 L HN 0.420 nan 8.230 nan 0.000 0.460 420 C N 2.395 121.667 119.300 -0.047 0.000 3.089 420 C HA 0.259 4.719 4.460 0.001 0.000 0.548 420 C C 0.318 175.311 174.990 0.004 0.000 1.205 420 C CA -0.361 58.666 59.018 0.016 0.000 1.398 420 C CB -2.407 25.363 27.740 0.050 0.000 1.764 420 C HN 0.350 nan 8.230 nan 0.000 0.638 421 N N 0.700 119.394 118.700 -0.010 0.000 2.331 421 N HA 0.301 5.041 4.740 0.001 0.000 0.280 421 N C -0.815 174.687 175.510 -0.014 0.000 1.155 421 N CA -0.230 52.810 53.050 -0.017 0.000 0.822 421 N CB 1.831 40.297 38.487 -0.036 0.000 1.619 421 N HN 0.256 nan 8.380 nan 0.000 0.476 422 D N 0.019 120.410 120.400 -0.015 0.000 2.513 422 D HA 0.132 4.773 4.640 0.001 0.000 0.222 422 D C 0.098 176.382 176.300 -0.026 0.000 1.210 422 D CA 0.228 54.221 54.000 -0.011 0.000 0.825 422 D CB 0.483 41.285 40.800 0.002 0.000 1.037 422 D HN 0.550 nan 8.370 nan 0.000 0.506 423 S N -0.511 115.164 115.700 -0.042 0.000 2.798 423 S HA 0.857 5.328 4.470 0.001 0.000 0.312 423 S C 0.131 174.694 174.600 -0.062 0.000 1.122 423 S CA -0.387 57.777 58.200 -0.060 0.000 0.949 423 S CB 2.454 65.601 63.200 -0.088 0.000 1.235 423 S HN 0.020 nan 8.310 nan 0.000 0.552 424 S N -0.672 114.981 115.700 -0.078 0.000 2.724 424 S HA 0.668 5.139 4.470 0.001 0.000 0.278 424 S C -1.557 172.997 174.600 -0.078 0.000 1.190 424 S CA -1.036 57.126 58.200 -0.063 0.000 0.860 424 S CB 0.292 63.473 63.200 -0.032 0.000 1.206 424 S HN 0.753 nan 8.310 nan 0.000 0.507 425 L N 0.989 122.194 121.223 -0.029 0.000 2.354 425 L HA 0.729 5.069 4.340 0.001 0.000 0.269 425 L C -1.291 175.638 176.870 0.098 0.000 1.005 425 L CA -0.515 54.337 54.840 0.020 0.000 0.819 425 L CB 1.881 43.957 42.059 0.029 0.000 1.311 425 L HN 0.772 nan 8.230 nan 0.000 0.423 426 D N 1.336 121.833 120.400 0.161 0.000 2.934 426 D HA 0.245 4.886 4.640 0.001 0.000 0.230 426 D C -1.720 174.728 176.300 0.247 0.000 1.204 426 D CA -0.359 53.743 54.000 0.170 0.000 0.873 426 D CB 2.495 43.339 40.800 0.073 0.000 1.645 426 D HN 0.180 nan 8.370 nan 0.000 0.502 427 F N 3.679 123.672 119.950 0.070 0.000 2.391 427 F HA 0.302 4.829 4.527 0.001 0.000 0.359 427 F C 0.413 176.159 175.800 -0.091 0.000 1.122 427 F CA -0.801 57.135 58.000 -0.107 0.000 1.120 427 F CB 0.646 39.527 39.000 -0.199 0.000 1.142 427 F HN 0.185 nan 8.300 nan 0.000 0.483 428 N N 5.454 123.807 118.700 -0.578 0.000 2.739 428 N HA -0.001 4.739 4.740 0.001 0.000 0.266 428 N C 0.832 176.015 175.510 -0.545 0.000 1.168 428 N CA 0.285 53.098 53.050 -0.395 0.000 1.055 428 N CB 0.139 38.448 38.487 -0.297 0.000 1.393 428 N HN 0.778 nan 8.380 nan 0.000 0.514 429 E N 0.301 120.344 120.200 -0.262 0.000 2.339 429 E HA -0.174 4.176 4.350 0.001 0.000 0.201 429 E C 0.933 177.474 176.600 -0.099 0.000 1.015 429 E CA 1.333 57.697 56.400 -0.059 0.000 0.841 429 E CB 0.309 30.083 29.700 0.124 0.000 0.754 429 E HN 0.557 nan 8.360 nan 0.000 0.508 430 T N 0.730 115.206 114.554 -0.130 0.000 2.732 430 T HA -0.085 4.266 4.350 0.001 0.000 0.261 430 T C 1.555 176.183 174.700 -0.119 0.000 1.040 430 T CA 1.025 63.069 62.100 -0.094 0.000 1.145 430 T CB -0.009 68.812 68.868 -0.078 0.000 0.866 430 T HN 0.099 nan 8.240 nan 0.000 0.427 431 K N 0.484 120.775 120.400 -0.182 0.000 2.404 431 K HA 0.315 4.636 4.320 0.001 0.000 0.194 431 K C 1.221 177.688 176.600 -0.221 0.000 1.023 431 K CA 0.241 56.425 56.287 -0.170 0.000 1.094 431 K CB 0.379 32.783 32.500 -0.159 0.000 0.841 431 K HN 0.359 nan 8.250 nan 0.000 0.523 432 G N 2.141 110.732 108.800 -0.348 0.000 2.305 432 G HA2 -0.245 3.715 3.960 0.001 0.000 0.287 432 G HA3 -0.245 3.715 3.960 0.001 0.000 0.287 432 G C -0.271 174.388 174.900 -0.401 0.000 1.036 432 G CA 0.619 45.515 45.100 -0.341 0.000 0.887 432 G HN 0.261 nan 8.290 nan 0.000 0.505 433 V N -1.099 118.408 119.914 -0.679 0.000 3.049 433 V HA 0.737 4.858 4.120 0.001 0.000 0.309 433 V C -0.634 175.172 176.094 -0.480 0.000 1.148 433 V CA -1.744 60.329 62.300 -0.378 0.000 0.990 433 V CB 1.687 33.416 31.823 -0.157 0.000 1.039 433 V HN 0.310 nan 8.190 nan 0.000 0.430 434 Y N 3.627 123.928 120.300 0.002 0.000 2.359 434 Y HA 0.445 4.996 4.550 0.001 0.000 0.334 434 Y C 0.884 176.843 175.900 0.099 0.000 1.058 434 Y CA 0.228 58.392 58.100 0.107 0.000 1.244 434 Y CB 0.864 39.461 38.460 0.228 0.000 1.187 434 Y HN 0.606 nan 8.280 nan 0.000 0.510 435 E N 3.310 123.637 120.200 0.211 0.000 2.232 435 E HA 0.343 4.694 4.350 0.001 0.000 0.264 435 E C -0.916 175.723 176.600 0.066 0.000 0.973 435 E CA -1.294 55.189 56.400 0.138 0.000 0.849 435 E CB 1.816 31.538 29.700 0.036 0.000 1.198 435 E HN 0.498 nan 8.360 nan 0.000 0.407 436 K N -0.966 119.392 120.400 -0.069 0.000 2.139 436 K HA 0.608 4.929 4.320 0.001 0.000 0.243 436 K C -0.902 175.615 176.600 -0.137 0.000 0.983 436 K CA -0.786 55.332 56.287 -0.283 0.000 0.890 436 K CB 1.333 33.448 32.500 -0.642 0.000 1.090 436 K HN 0.155 nan 8.250 nan 0.000 0.445 437 V N 1.446 121.279 119.914 -0.135 0.000 2.385 437 V HA 0.577 4.698 4.120 0.001 0.000 0.277 437 V C 0.241 176.287 176.094 -0.080 0.000 1.012 437 V CA 0.209 62.464 62.300 -0.075 0.000 0.832 437 V CB -0.024 31.771 31.823 -0.046 0.000 1.028 437 V HN 1.186 nan 8.190 nan 0.000 0.436 438 G N 4.066 112.826 108.800 -0.068 0.000 2.378 438 G HA2 -0.074 3.886 3.960 0.001 0.000 0.198 438 G HA3 -0.074 3.886 3.960 0.001 0.000 0.198 438 G C -0.713 174.146 174.900 -0.068 0.000 1.223 438 G CA -0.791 44.275 45.100 -0.058 0.000 1.088 438 G HN 0.494 nan 8.290 nan 0.000 0.530 439 E N 0.595 120.758 120.200 -0.063 0.000 2.392 439 E HA 0.469 4.819 4.350 0.001 0.000 0.264 439 E C 1.485 178.042 176.600 -0.071 0.000 1.024 439 E CA 0.443 56.810 56.400 -0.056 0.000 0.903 439 E CB 1.262 30.927 29.700 -0.058 0.000 0.963 439 E HN 0.992 nan 8.360 nan 0.000 0.432 440 A N 2.981 125.785 122.820 -0.026 0.000 1.873 440 A HA -0.167 4.154 4.320 0.001 0.000 0.215 440 A C 2.056 179.666 177.584 0.043 0.000 1.186 440 A CA 2.095 54.148 52.037 0.028 0.000 0.616 440 A CB -0.839 18.256 19.000 0.158 0.000 0.823 440 A HN 0.692 nan 8.150 nan 0.000 0.442 441 T N -0.496 114.075 114.554 0.028 0.000 2.737 441 T HA -0.210 4.141 4.350 0.001 0.000 0.269 441 T C 1.632 176.334 174.700 0.003 0.000 1.040 441 T CA 1.691 63.805 62.100 0.023 0.000 1.142 441 T CB -0.356 68.510 68.868 -0.004 0.000 0.861 441 T HN 0.641 nan 8.240 nan 0.000 0.456 442 E N 0.817 120.999 120.200 -0.030 0.000 2.021 442 E HA -0.065 4.286 4.350 0.001 0.000 0.189 442 E C 2.620 179.188 176.600 -0.053 0.000 0.980 442 E CA 1.291 57.667 56.400 -0.040 0.000 0.803 442 E CB -0.361 29.308 29.700 -0.052 0.000 0.766 442 E HN 0.381 nan 8.360 nan 0.000 0.449 443 T N 1.335 115.825 114.554 -0.107 0.000 2.760 443 T HA -0.253 4.098 4.350 0.001 0.000 0.269 443 T C 1.899 176.547 174.700 -0.086 0.000 1.047 443 T CA 1.295 63.285 62.100 -0.184 0.000 1.139 443 T CB -0.301 68.298 68.868 -0.448 0.000 0.855 443 T HN 0.265 nan 8.240 nan 0.000 0.471 444 A N 0.864 123.700 122.820 0.028 0.000 1.948 444 A HA -0.070 4.251 4.320 0.001 0.000 0.220 444 A C 2.159 179.776 177.584 0.055 0.000 1.177 444 A CA 1.268 53.385 52.037 0.133 0.000 0.636 444 A CB -0.675 18.404 19.000 0.132 0.000 0.815 444 A HN 0.363 nan 8.150 nan 0.000 0.449 445 L N -0.477 120.754 121.223 0.013 0.000 2.005 445 L HA -0.115 4.225 4.340 0.001 0.000 0.207 445 L C 2.754 179.610 176.870 -0.024 0.000 1.072 445 L CA 2.487 57.322 54.840 -0.008 0.000 0.744 445 L CB -1.442 40.605 42.059 -0.020 0.000 0.895 445 L HN 0.387 nan 8.230 nan 0.000 0.433 446 T N -0.996 113.536 114.554 -0.038 0.000 2.620 446 T HA -0.269 4.082 4.350 0.001 0.000 0.267 446 T C 1.711 176.386 174.700 -0.041 0.000 1.044 446 T CA 2.239 64.310 62.100 -0.049 0.000 1.161 446 T CB -0.536 68.291 68.868 -0.067 0.000 0.862 446 T HN 0.400 nan 8.240 nan 0.000 0.438 447 T N 1.961 116.503 114.554 -0.019 0.000 2.915 447 T HA -0.001 4.349 4.350 0.001 0.000 0.269 447 T C 1.830 176.517 174.700 -0.022 0.000 1.071 447 T CA 0.638 62.730 62.100 -0.014 0.000 1.132 447 T CB -0.356 68.548 68.868 0.059 0.000 0.878 447 T HN 0.134 nan 8.240 nan 0.000 0.479 448 L N 2.564 123.778 121.223 -0.015 0.000 2.027 448 L HA -0.016 4.325 4.340 0.001 0.000 0.206 448 L C 2.642 179.487 176.870 -0.042 0.000 1.074 448 L CA 1.543 56.367 54.840 -0.026 0.000 0.745 448 L CB -1.056 40.990 42.059 -0.020 0.000 0.898 448 L HN 0.250 nan 8.230 nan 0.000 0.433 449 V N -2.095 117.792 119.914 -0.045 0.000 2.332 449 V HA -0.230 3.891 4.120 0.001 0.000 0.248 449 V C 2.360 178.430 176.094 -0.040 0.000 1.055 449 V CA 1.976 64.248 62.300 -0.046 0.000 1.038 449 V CB -0.960 30.836 31.823 -0.045 0.000 0.651 449 V HN 0.521 nan 8.190 nan 0.000 0.450 450 E N 1.046 121.218 120.200 -0.047 0.000 2.051 450 E HA -0.181 4.169 4.350 0.001 0.000 0.192 450 E C 2.261 178.831 176.600 -0.049 0.000 0.991 450 E CA 1.831 58.200 56.400 -0.052 0.000 0.799 450 E CB -0.373 29.279 29.700 -0.079 0.000 0.748 450 E HN 0.719 nan 8.360 nan 0.000 0.449 451 K N -0.033 120.337 120.400 -0.050 0.000 2.211 451 K HA 0.001 4.322 4.320 0.001 0.000 0.203 451 K C 2.238 178.809 176.600 -0.048 0.000 1.050 451 K CA 0.822 57.082 56.287 -0.045 0.000 0.945 451 K CB -0.029 32.447 32.500 -0.040 0.000 0.732 451 K HN 0.108 nan 8.250 nan 0.000 0.451 452 M N 0.311 119.878 119.600 -0.055 0.000 2.095 452 M HA -0.080 4.401 4.480 0.001 0.000 0.257 452 M C 0.504 176.772 176.300 -0.053 0.000 1.089 452 M CA 0.554 55.811 55.300 -0.072 0.000 1.138 452 M CB -0.305 32.243 32.600 -0.086 0.000 1.303 452 M HN 0.115 nan 8.290 nan 0.000 0.422 453 N N 0.922 119.605 118.700 -0.029 0.000 2.610 453 N HA -0.118 4.623 4.740 0.001 0.000 0.271 453 N C 0.198 175.700 175.510 -0.012 0.000 1.146 453 N CA 0.596 53.648 53.050 0.003 0.000 0.711 453 N CB -0.658 37.826 38.487 -0.004 0.000 0.883 453 N HN 0.359 nan 8.380 nan 0.000 0.548 454 V N -0.882 119.019 119.914 -0.022 0.000 2.809 454 V HA 0.104 4.225 4.120 0.001 0.000 0.256 454 V C 1.389 177.304 176.094 -0.299 0.000 1.080 454 V CA 1.453 63.652 62.300 -0.170 0.000 1.102 454 V CB -0.702 30.979 31.823 -0.236 0.000 0.705 454 V HN 0.286 nan 8.190 nan 0.000 0.475 455 F N 1.809 121.734 119.950 -0.042 0.000 2.819 455 F HA 0.484 5.011 4.527 0.001 0.000 0.294 455 F C 0.918 176.700 175.800 -0.029 0.000 1.166 455 F CA -0.814 57.165 58.000 -0.035 0.000 1.374 455 F CB -0.812 38.166 39.000 -0.037 0.000 0.956 455 F HN 0.175 nan 8.300 nan 0.000 0.509 456 N N 0.714 119.453 118.700 0.065 0.000 2.701 456 N HA -0.190 4.550 4.740 0.001 0.000 0.257 456 N C -0.002 175.539 175.510 0.053 0.000 0.969 456 N CA 1.208 54.282 53.050 0.040 0.000 0.786 456 N CB -1.673 36.825 38.487 0.018 0.000 0.917 456 N HN 0.253 nan 8.380 nan 0.000 0.541 457 T N -0.341 114.249 114.554 0.061 0.000 2.813 457 T HA 0.143 4.494 4.350 0.001 0.000 0.297 457 T C 0.684 175.395 174.700 0.018 0.000 1.036 457 T CA -0.469 61.654 62.100 0.038 0.000 1.044 457 T CB 1.448 70.332 68.868 0.028 0.000 0.993 457 T HN 0.018 nan 8.240 nan 0.000 0.535 458 E N 1.528 121.733 120.200 0.009 0.000 2.194 458 E HA 0.289 4.639 4.350 0.001 0.000 0.284 458 E C 0.821 177.419 176.600 -0.003 0.000 1.035 458 E CA -0.230 56.172 56.400 0.002 0.000 0.836 458 E CB 1.446 31.147 29.700 0.000 0.000 1.070 458 E HN 0.542 nan 8.360 nan 0.000 0.401 459 V N 2.168 122.079 119.914 -0.005 0.000 2.950 459 V HA -0.023 4.098 4.120 0.001 0.000 0.231 459 V C 2.156 178.243 176.094 -0.011 0.000 1.205 459 V CA 0.576 62.870 62.300 -0.010 0.000 1.239 459 V CB -0.543 31.272 31.823 -0.013 0.000 1.050 459 V HN 0.637 nan 8.190 nan 0.000 0.498 460 R N 2.237 122.732 120.500 -0.008 0.000 2.224 460 R HA -0.366 3.975 4.340 0.001 0.000 0.255 460 R C 2.119 178.412 176.300 -0.012 0.000 1.130 460 R CA 2.648 58.744 56.100 -0.008 0.000 0.957 460 R CB -1.759 28.538 30.300 -0.004 0.000 0.907 460 R HN 0.643 nan 8.270 nan 0.000 0.446 461 N N 1.482 120.176 118.700 -0.011 0.000 2.223 461 N HA -0.085 4.655 4.740 0.001 0.000 0.185 461 N C 0.581 176.079 175.510 -0.020 0.000 1.016 461 N CA 0.739 53.781 53.050 -0.013 0.000 0.863 461 N CB -0.097 38.383 38.487 -0.010 0.000 0.983 461 N HN 0.236 nan 8.380 nan 0.000 0.429 462 L N 1.325 122.536 121.223 -0.021 0.000 2.492 462 L HA -0.036 4.304 4.340 0.001 0.000 0.280 462 L C 1.089 177.932 176.870 -0.045 0.000 1.240 462 L CA -0.269 54.554 54.840 -0.028 0.000 0.831 462 L CB 0.308 42.353 42.059 -0.023 0.000 1.100 462 L HN 0.143 nan 8.230 nan 0.000 0.505 463 S N 0.265 115.931 115.700 -0.057 0.000 2.617 463 S HA 0.217 4.688 4.470 0.001 0.000 0.269 463 S C 0.740 175.248 174.600 -0.153 0.000 1.292 463 S CA -0.790 57.349 58.200 -0.100 0.000 1.010 463 S CB 1.580 64.730 63.200 -0.084 0.000 0.944 463 S HN 0.488 nan 8.310 nan 0.000 0.536 464 K N 1.059 121.263 120.400 -0.328 0.000 2.063 464 K HA -0.033 4.288 4.320 0.001 0.000 0.208 464 K C 1.828 178.218 176.600 -0.349 0.000 1.048 464 K CA 1.591 57.540 56.287 -0.563 0.000 0.928 464 K CB -1.093 30.385 32.500 -1.703 0.000 0.713 464 K HN 0.553 nan 8.250 nan 0.000 0.442 465 V N 0.760 120.517 119.914 -0.263 0.000 2.759 465 V HA -0.199 3.922 4.120 0.001 0.000 0.256 465 V C 1.813 177.928 176.094 0.036 0.000 1.080 465 V CA 1.642 63.947 62.300 0.008 0.000 1.101 465 V CB -0.460 31.390 31.823 0.045 0.000 0.698 465 V HN 0.337 nan 8.190 nan 0.000 0.477 466 E N 0.089 120.281 120.200 -0.014 0.000 2.060 466 E HA -0.122 4.229 4.350 0.001 0.000 0.189 466 E C 2.356 178.963 176.600 0.012 0.000 0.974 466 E CA 0.413 56.812 56.400 -0.001 0.000 0.808 466 E CB -0.132 29.556 29.700 -0.020 0.000 0.768 466 E HN 0.217 nan 8.360 nan 0.000 0.453 467 R N 1.472 121.979 120.500 0.011 0.000 2.293 467 R HA -0.018 4.323 4.340 0.001 0.000 0.219 467 R C 1.629 177.927 176.300 -0.003 0.000 1.091 467 R CA 1.086 57.188 56.100 0.003 0.000 1.004 467 R CB -0.806 29.495 30.300 0.002 0.000 0.865 467 R HN 0.174 nan 8.270 nan 0.000 0.469 468 A N 0.771 123.648 122.820 0.094 0.000 1.852 468 A HA -0.166 4.155 4.320 0.001 0.000 0.217 468 A C 0.716 178.301 177.584 0.002 0.000 1.215 468 A CA 1.897 53.997 52.037 0.105 0.000 0.641 468 A CB -0.364 18.773 19.000 0.228 0.000 0.838 468 A HN 0.480 nan 8.150 nan 0.000 0.450 469 N N -0.967 117.743 118.700 0.015 0.000 2.886 469 N HA 0.505 5.245 4.740 0.001 0.000 0.285 469 N C 0.293 175.793 175.510 -0.017 0.000 1.706 469 N CA 0.597 53.641 53.050 -0.010 0.000 0.904 469 N CB 1.360 39.846 38.487 -0.003 0.000 1.224 469 N HN 0.466 nan 8.380 nan 0.000 0.488 470 A N 0.198 123.004 122.820 -0.024 0.000 2.250 470 A HA 0.041 4.362 4.320 0.001 0.000 0.222 470 A C 2.078 179.644 177.584 -0.029 0.000 1.768 470 A CA 0.584 52.607 52.037 -0.024 0.000 0.660 470 A CB -0.814 18.173 19.000 -0.022 0.000 1.318 470 A HN 0.526 nan 8.150 nan 0.000 0.527 471 C N 0.646 119.932 119.300 -0.023 0.000 2.392 471 C HA -0.172 4.289 4.460 0.001 0.000 0.276 471 C C 2.665 177.638 174.990 -0.027 0.000 1.212 471 C CA 1.367 60.378 59.018 -0.012 0.000 1.791 471 C CB -1.695 26.044 27.740 -0.002 0.000 2.063 471 C HN 0.648 nan 8.230 nan 0.000 0.481 472 N N 0.318 118.996 118.700 -0.038 0.000 2.142 472 N HA -0.099 4.641 4.740 0.001 0.000 0.186 472 N C 1.955 177.431 175.510 -0.058 0.000 1.023 472 N CA 1.312 54.333 53.050 -0.048 0.000 0.852 472 N CB -0.183 38.276 38.487 -0.046 0.000 0.998 472 N HN 0.466 nan 8.380 nan 0.000 0.424 473 S N 0.146 115.815 115.700 -0.052 0.000 2.371 473 S HA -0.025 4.445 4.470 0.001 0.000 0.224 473 S C 2.170 176.720 174.600 -0.083 0.000 1.029 473 S CA 0.392 58.558 58.200 -0.057 0.000 0.978 473 S CB -0.075 63.099 63.200 -0.043 0.000 0.833 473 S HN 0.070 nan 8.310 nan 0.000 0.466 474 V N 2.542 122.399 119.914 -0.095 0.000 2.250 474 V HA -0.252 3.869 4.120 0.001 0.000 0.250 474 V C 2.049 178.018 176.094 -0.209 0.000 1.060 474 V CA 1.925 64.133 62.300 -0.153 0.000 1.030 474 V CB -0.663 31.063 31.823 -0.162 0.000 0.643 474 V HN 0.505 nan 8.190 nan 0.000 0.445 475 I N -0.570 119.894 120.570 -0.177 0.000 2.264 475 I HA -0.260 3.911 4.170 0.001 0.000 0.248 475 I C 2.614 178.646 176.117 -0.142 0.000 1.111 475 I CA 1.570 62.763 61.300 -0.178 0.000 1.382 475 I CB -0.518 37.413 38.000 -0.116 0.000 1.060 475 I HN 0.272 nan 8.210 nan 0.000 0.418 476 R N 0.534 120.969 120.500 -0.109 0.000 2.235 476 R HA -0.110 4.230 4.340 0.001 0.000 0.213 476 R C 2.005 178.258 176.300 -0.078 0.000 1.059 476 R CA 0.750 56.801 56.100 -0.081 0.000 0.997 476 R CB -0.153 30.110 30.300 -0.061 0.000 0.884 476 R HN 0.542 nan 8.270 nan 0.000 0.462 477 Q N -0.006 119.734 119.800 -0.100 0.000 2.389 477 Q HA 0.046 4.387 4.340 0.001 0.000 0.204 477 Q C 1.515 177.453 176.000 -0.103 0.000 0.944 477 Q CA 0.666 56.412 55.803 -0.094 0.000 0.908 477 Q CB 0.399 29.074 28.738 -0.105 0.000 1.002 477 Q HN 0.344 nan 8.270 nan 0.000 0.493 478 L N -0.799 120.345 121.223 -0.131 0.000 2.638 478 L HA 0.269 4.609 4.340 0.001 0.000 0.232 478 L C 0.155 176.983 176.870 -0.070 0.000 1.099 478 L CA 0.022 54.788 54.840 -0.123 0.000 0.883 478 L CB 0.641 42.578 42.059 -0.203 0.000 1.136 478 L HN 0.170 nan 8.230 nan 0.000 0.492 479 M N 0.818 120.383 119.600 -0.058 0.000 2.183 479 M HA 0.276 4.756 4.480 0.001 0.000 0.277 479 M C -1.140 175.155 176.300 -0.009 0.000 0.995 479 M CA -0.587 54.705 55.300 -0.014 0.000 0.969 479 M CB 2.192 34.795 32.600 0.005 0.000 1.659 479 M HN -0.246 nan 8.290 nan 0.000 0.462 480 K N 3.507 123.908 120.400 0.003 0.000 2.285 480 K HA 0.205 4.526 4.320 0.001 0.000 0.286 480 K C -0.281 176.327 176.600 0.012 0.000 1.072 480 K CA -0.018 56.271 56.287 0.004 0.000 0.913 480 K CB 0.614 33.119 32.500 0.008 0.000 1.067 480 K HN 0.515 nan 8.250 nan 0.000 0.479 481 K N 5.214 125.619 120.400 0.008 0.000 2.315 481 K HA 0.027 4.347 4.320 0.001 0.000 0.291 481 K C -0.145 176.455 176.600 0.000 0.000 1.074 481 K CA 0.097 56.385 56.287 0.000 0.000 0.936 481 K CB 0.488 32.988 32.500 0.000 0.000 1.049 481 K HN 0.675 nan 8.250 nan 0.000 0.471 482 E N 3.614 123.804 120.200 -0.017 0.000 2.013 482 E HA -0.041 4.309 4.350 0.001 0.000 0.194 482 E C 0.326 176.963 176.600 0.062 0.000 0.973 482 E CA 1.035 57.457 56.400 0.036 0.000 0.842 482 E CB -0.127 29.628 29.700 0.092 0.000 0.801 482 E HN 0.586 nan 8.360 nan 0.000 0.476 483 F N 0.085 120.056 119.950 0.034 0.000 2.598 483 F HA 0.598 5.126 4.527 0.001 0.000 0.327 483 F C -0.236 175.561 175.800 -0.006 0.000 1.057 483 F CA -1.174 56.816 58.000 -0.017 0.000 0.957 483 F CB 1.347 40.292 39.000 -0.092 0.000 1.278 483 F HN -0.150 nan 8.300 nan 0.000 0.484 484 T N 0.298 114.966 114.554 0.190 0.000 2.887 484 T HA 0.676 5.027 4.350 0.001 0.000 0.288 484 T C -1.165 173.575 174.700 0.066 0.000 1.021 484 T CA -0.828 61.319 62.100 0.079 0.000 1.000 484 T CB 1.382 70.284 68.868 0.057 0.000 1.034 484 T HN 0.807 nan 8.240 nan 0.000 0.467 485 L N 4.013 125.200 121.223 -0.059 0.000 2.287 485 L HA 0.362 4.703 4.340 0.001 0.000 0.280 485 L C 0.881 177.732 176.870 -0.032 0.000 1.055 485 L CA -0.961 53.672 54.840 -0.345 0.000 0.863 485 L CB 0.452 42.197 42.059 -0.522 0.000 1.245 485 L HN 0.790 nan 8.230 nan 0.000 0.432 486 E N 1.575 121.854 120.200 0.132 0.000 2.521 486 E HA -0.099 4.252 4.350 0.001 0.000 0.270 486 E C -0.110 176.685 176.600 0.324 0.000 1.082 486 E CA -0.274 56.278 56.400 0.253 0.000 0.997 486 E CB 0.491 30.357 29.700 0.277 0.000 0.990 486 E HN 0.277 nan 8.360 nan 0.000 0.458 487 F N 1.346 121.385 119.950 0.147 0.000 2.527 487 F HA 0.122 4.649 4.527 0.001 0.000 0.316 487 F C 0.327 176.214 175.800 0.146 0.000 1.258 487 F CA 0.900 58.980 58.000 0.133 0.000 1.314 487 F CB 0.717 39.773 39.000 0.093 0.000 1.200 487 F HN 0.592 nan 8.300 nan 0.000 0.577 488 S N 1.614 116.859 115.700 -0.758 0.000 2.602 488 S HA 0.280 4.751 4.470 0.001 0.000 0.301 488 S C -0.359 173.824 174.600 -0.696 0.000 1.091 488 S CA -0.759 57.183 58.200 -0.430 0.000 0.895 488 S CB 1.166 64.260 63.200 -0.177 0.000 1.090 488 S HN 0.834 nan 8.310 nan 0.000 0.449 489 R N 1.246 121.575 120.500 -0.285 0.000 2.339 489 R HA 0.081 4.422 4.340 0.001 0.000 0.199 489 R C 0.947 177.175 176.300 -0.121 0.000 1.018 489 R CA 1.390 57.399 56.100 -0.152 0.000 1.036 489 R CB -0.846 29.474 30.300 0.033 0.000 0.899 489 R HN 0.756 nan 8.270 nan 0.000 0.473 490 D N 1.731 122.049 120.400 -0.138 0.000 2.137 490 D HA -0.203 4.437 4.640 0.001 0.000 0.202 490 D C 1.897 178.147 176.300 -0.083 0.000 0.970 490 D CA 0.784 54.734 54.000 -0.085 0.000 0.837 490 D CB -0.064 40.692 40.800 -0.073 0.000 0.981 490 D HN 0.448 nan 8.370 nan 0.000 0.475 491 R N -0.021 120.404 120.500 -0.125 0.000 2.308 491 R HA 0.223 4.564 4.340 0.001 0.000 0.202 491 R C 0.031 176.267 176.300 -0.106 0.000 0.898 491 R CA -0.346 55.705 56.100 -0.082 0.000 1.046 491 R CB -0.212 30.062 30.300 -0.043 0.000 1.026 491 R HN -0.151 nan 8.270 nan 0.000 0.512 492 K N 1.926 122.168 120.400 -0.264 0.000 3.689 492 K HA -0.207 4.113 4.320 0.001 0.000 0.276 492 K C -1.004 175.607 176.600 0.018 0.000 0.932 492 K CA 0.933 57.095 56.287 -0.208 0.000 0.758 492 K CB -1.470 31.074 32.500 0.075 0.000 1.500 492 K HN 0.719 nan 8.250 nan 0.000 0.448 493 S N -1.073 114.551 115.700 -0.128 0.000 2.643 493 S HA 0.746 5.217 4.470 0.001 0.000 0.266 493 S C -0.921 173.804 174.600 0.207 0.000 1.130 493 S CA -0.856 57.459 58.200 0.193 0.000 0.817 493 S CB 2.013 65.288 63.200 0.125 0.000 1.107 493 S HN 0.501 nan 8.310 nan 0.000 0.471 494 M N -0.095 119.658 119.600 0.254 0.000 2.721 494 M HA 0.903 5.384 4.480 0.001 0.000 0.271 494 M C -1.177 175.209 176.300 0.144 0.000 1.259 494 M CA -0.537 54.893 55.300 0.217 0.000 0.835 494 M CB 1.849 34.622 32.600 0.288 0.000 1.689 494 M HN 1.436 nan 8.290 nan 0.000 0.470 495 S N -0.065 115.694 115.700 0.098 0.000 2.611 495 S HA 0.872 5.343 4.470 0.001 0.000 0.268 495 S C -1.039 173.576 174.600 0.024 0.000 1.156 495 S CA -0.320 57.922 58.200 0.071 0.000 0.817 495 S CB 1.420 64.657 63.200 0.062 0.000 1.122 495 S HN 1.709 nan 8.310 nan 0.000 0.466 496 V N -1.447 118.473 119.914 0.010 0.000 3.074 496 V HA 0.793 4.914 4.120 0.001 0.000 0.314 496 V C -1.453 174.524 176.094 -0.196 0.000 1.117 496 V CA -1.035 61.222 62.300 -0.072 0.000 1.014 496 V CB 1.495 33.316 31.823 -0.002 0.000 1.057 496 V HN 1.043 nan 8.190 nan 0.000 0.438 497 Y N 1.373 121.304 120.300 -0.615 0.000 2.342 497 Y HA 0.745 5.296 4.550 0.001 0.000 0.338 497 Y C -0.125 175.495 175.900 -0.466 0.000 0.965 497 Y CA -0.390 57.263 58.100 -0.744 0.000 1.159 497 Y CB 0.993 38.451 38.460 -1.670 0.000 1.157 497 Y HN 1.015 nan 8.280 nan 0.000 0.486 498 C N 2.638 121.687 119.300 -0.418 0.000 2.913 498 C HA 0.918 5.378 4.460 0.001 0.000 0.322 498 C C -0.782 174.081 174.990 -0.212 0.000 1.292 498 C CA -0.879 58.039 59.018 -0.167 0.000 1.649 498 C CB 1.382 29.170 27.740 0.080 0.000 2.139 498 C HN 0.880 nan 8.230 nan 0.000 0.475 499 S N -0.659 115.001 115.700 -0.067 0.000 2.543 499 S HA 0.572 5.042 4.470 0.001 0.000 0.274 499 S C -3.505 171.088 174.600 -0.012 0.000 1.149 499 S CA -0.969 57.198 58.200 -0.055 0.000 0.866 499 S CB 0.856 64.042 63.200 -0.023 0.000 1.111 499 S HN 0.478 nan 8.310 nan 0.000 0.457 500 P HA 0.151 nan 4.420 nan 0.000 0.262 500 P C -0.236 177.060 177.300 -0.007 0.000 1.151 500 P CA 0.651 63.747 63.100 -0.007 0.000 0.757 500 P CB 0.069 31.763 31.700 -0.009 0.000 0.754 501 A N 4.055 126.867 122.820 -0.014 0.000 2.351 501 A HA 0.274 4.594 4.320 0.001 0.000 0.257 501 A C 1.095 178.671 177.584 -0.013 0.000 1.087 501 A CA -0.065 51.964 52.037 -0.014 0.000 0.798 501 A CB 0.017 19.002 19.000 -0.025 0.000 1.033 501 A HN 0.616 nan 8.150 nan 0.000 0.488 502 K N -0.937 119.458 120.400 -0.009 0.000 3.553 502 K HA -0.181 4.140 4.320 0.001 0.000 0.280 502 K C 0.714 177.311 176.600 -0.005 0.000 1.061 502 K CA 1.744 58.026 56.287 -0.008 0.000 1.101 502 K CB -2.547 29.945 32.500 -0.014 0.000 1.421 502 K HN 1.370 nan 8.250 nan 0.000 0.440 503 S N 1.607 117.305 115.700 -0.004 0.000 2.571 503 S HA 0.197 4.668 4.470 0.001 0.000 0.297 503 S C 0.608 175.210 174.600 0.003 0.000 1.234 503 S CA 0.257 58.456 58.200 -0.002 0.000 1.120 503 S CB 0.650 63.848 63.200 -0.002 0.000 0.923 503 S HN 0.250 nan 8.310 nan 0.000 0.504 504 S N 4.011 119.713 115.700 0.003 0.000 3.697 504 S HA 0.407 4.878 4.470 0.001 0.000 0.207 504 S C 0.217 174.821 174.600 0.007 0.000 1.459 504 S CA -0.821 57.382 58.200 0.005 0.000 1.122 504 S CB -0.497 62.705 63.200 0.003 0.000 1.311 504 S HN 0.808 nan 8.310 nan 0.000 0.487 505 R N -0.162 120.344 120.500 0.010 0.000 3.132 505 R HA 0.904 5.245 4.340 0.001 0.000 0.257 505 R C -1.347 174.965 176.300 0.019 0.000 1.203 505 R CA -0.806 55.301 56.100 0.012 0.000 1.008 505 R CB 1.081 31.386 30.300 0.008 0.000 1.378 505 R HN 0.359 nan 8.270 nan 0.000 0.448 506 A N -0.443 122.389 122.820 0.021 0.000 2.612 506 A HA 0.632 4.953 4.320 0.001 0.000 0.293 506 A C -0.740 176.862 177.584 0.029 0.000 1.075 506 A CA 0.002 52.059 52.037 0.033 0.000 0.680 506 A CB 1.506 20.526 19.000 0.035 0.000 1.279 506 A HN 1.330 nan 8.150 nan 0.000 0.411 507 A N -1.077 121.768 122.820 0.042 0.000 2.899 507 A HA 0.008 4.329 4.320 0.001 0.000 0.257 507 A C 0.191 177.779 177.584 0.008 0.000 1.335 507 A CA 1.326 53.382 52.037 0.032 0.000 0.924 507 A CB -2.483 16.534 19.000 0.028 0.000 1.105 507 A HN 2.047 nan 8.150 nan 0.000 0.765 508 V N -2.172 117.742 119.914 -0.001 0.000 2.709 508 V HA 0.710 4.831 4.120 0.001 0.000 0.308 508 V C 1.598 177.672 176.094 -0.034 0.000 1.062 508 V CA 0.041 62.331 62.300 -0.017 0.000 0.901 508 V CB 1.229 33.046 31.823 -0.009 0.000 1.003 508 V HN 2.127 nan 8.190 nan 0.000 0.425 509 G N 3.379 112.150 108.800 -0.050 0.000 2.302 509 G HA2 -0.278 3.682 3.960 0.001 0.000 0.263 509 G HA3 -0.278 3.682 3.960 0.001 0.000 0.263 509 G C 0.364 175.190 174.900 -0.123 0.000 0.995 509 G CA 0.423 45.484 45.100 -0.065 0.000 0.622 509 G HN 0.693 nan 8.290 nan 0.000 0.538 510 N N 1.464 120.074 118.700 -0.149 0.000 2.292 510 N HA 0.217 4.958 4.740 0.001 0.000 0.258 510 N C 0.091 175.346 175.510 -0.425 0.000 1.261 510 N CA 0.941 53.812 53.050 -0.298 0.000 0.845 510 N CB 0.444 38.781 38.487 -0.250 0.000 1.064 510 N HN 0.368 nan 8.380 nan 0.000 0.471 511 K N 1.947 121.966 120.400 -0.634 0.000 2.536 511 K HA 0.442 4.763 4.320 0.001 0.000 0.269 511 K C -0.517 175.510 176.600 -0.956 0.000 0.965 511 K CA -0.477 55.361 56.287 -0.749 0.000 0.860 511 K CB 1.999 33.982 32.500 -0.862 0.000 1.423 511 K HN 0.441 nan 8.250 nan 0.000 0.438 512 M N 2.030 121.146 119.600 -0.807 0.000 2.134 512 M HA 0.395 4.876 4.480 0.001 0.000 0.310 512 M C -1.276 174.708 176.300 -0.527 0.000 0.966 512 M CA -0.704 54.248 55.300 -0.578 0.000 0.922 512 M CB 0.812 33.247 32.600 -0.275 0.000 1.537 512 M HN 0.354 nan 8.290 nan 0.000 0.424 513 F N 3.268 123.150 119.950 -0.113 0.000 2.411 513 F HA 0.504 5.031 4.527 0.001 0.000 0.355 513 F C 0.011 175.787 175.800 -0.039 0.000 1.117 513 F CA -0.711 57.244 58.000 -0.074 0.000 1.139 513 F CB 0.825 39.777 39.000 -0.081 0.000 1.120 513 F HN 0.125 nan 8.300 nan 0.000 0.493 514 V N 3.797 123.797 119.914 0.145 0.000 2.555 514 V HA 0.493 4.614 4.120 0.001 0.000 0.302 514 V C -0.380 175.781 176.094 0.110 0.000 1.038 514 V CA -1.195 61.172 62.300 0.111 0.000 0.887 514 V CB 1.893 33.771 31.823 0.090 0.000 0.991 514 V HN 0.671 nan 8.190 nan 0.000 0.434 515 K N 2.498 122.967 120.400 0.116 0.000 2.397 515 K HA 0.804 5.125 4.320 0.001 0.000 0.253 515 K C -0.402 176.285 176.600 0.145 0.000 0.932 515 K CA -0.191 56.161 56.287 0.108 0.000 0.795 515 K CB 2.136 34.689 32.500 0.088 0.000 1.159 515 K HN 1.008 nan 8.250 nan 0.000 0.424 516 G N 1.231 110.117 108.800 0.144 0.000 2.495 516 G HA2 0.517 4.478 3.960 0.001 0.000 0.294 516 G HA3 0.517 4.478 3.960 0.001 0.000 0.294 516 G C -1.599 173.399 174.900 0.163 0.000 1.397 516 G CA -0.582 44.626 45.100 0.179 0.000 0.790 516 G HN 0.669 nan 8.290 nan 0.000 0.486 517 A N 0.783 123.708 122.820 0.176 0.000 2.520 517 A HA 0.598 4.918 4.320 0.001 0.000 0.245 517 A C -0.656 177.006 177.584 0.129 0.000 1.072 517 A CA -0.078 52.048 52.037 0.149 0.000 0.761 517 A CB -0.143 18.947 19.000 0.151 0.000 1.004 517 A HN 0.417 nan 8.150 nan 0.000 0.499 518 P HA -0.315 nan 4.420 nan 0.000 0.216 518 P C 1.468 178.820 177.300 0.087 0.000 0.860 518 P CA 1.757 64.927 63.100 0.117 0.000 1.042 518 P CB -0.033 31.731 31.700 0.107 0.000 0.716 519 E N -0.954 119.283 120.200 0.062 0.000 2.124 519 E HA -0.339 4.011 4.350 0.001 0.000 0.244 519 E C 2.105 178.731 176.600 0.044 0.000 1.019 519 E CA 2.224 58.648 56.400 0.040 0.000 0.941 519 E CB -1.347 28.374 29.700 0.036 0.000 0.851 519 E HN 0.247 nan 8.360 nan 0.000 0.537 520 G N 0.234 109.062 108.800 0.048 0.000 2.649 520 G HA2 -0.361 3.600 3.960 0.001 0.000 0.220 520 G HA3 -0.361 3.600 3.960 0.001 0.000 0.220 520 G C 1.693 176.628 174.900 0.059 0.000 1.189 520 G CA 1.861 46.988 45.100 0.046 0.000 0.777 520 G HN 0.332 nan 8.290 nan 0.000 0.602 521 V N 1.571 121.535 119.914 0.083 0.000 2.332 521 V HA -0.191 3.930 4.120 0.001 0.000 0.248 521 V C 2.829 178.990 176.094 0.111 0.000 1.055 521 V CA 1.638 64.002 62.300 0.107 0.000 1.038 521 V CB -0.338 31.567 31.823 0.137 0.000 0.651 521 V HN 0.395 nan 8.190 nan 0.000 0.450 522 I N -0.011 120.614 120.570 0.091 0.000 2.394 522 I HA -0.153 4.018 4.170 0.001 0.000 0.251 522 I C 1.962 178.093 176.117 0.023 0.000 1.136 522 I CA 1.433 62.763 61.300 0.050 0.000 1.425 522 I CB -1.100 36.888 38.000 -0.020 0.000 1.079 522 I HN 0.342 nan 8.210 nan 0.000 0.425 523 D N 1.035 121.448 120.400 0.023 0.000 2.347 523 D HA -0.048 4.592 4.640 0.001 0.000 0.215 523 D C 1.771 178.081 176.300 0.016 0.000 0.976 523 D CA 0.552 54.557 54.000 0.009 0.000 0.884 523 D CB 0.033 40.836 40.800 0.006 0.000 0.915 523 D HN 0.385 nan 8.370 nan 0.000 0.526 524 R N -0.417 120.106 120.500 0.038 0.000 2.427 524 R HA 0.214 4.555 4.340 0.001 0.000 0.262 524 R C -0.171 176.163 176.300 0.057 0.000 0.943 524 R CA -0.109 56.017 56.100 0.044 0.000 1.081 524 R CB 0.346 30.680 30.300 0.057 0.000 1.166 524 R HN 0.023 nan 8.270 nan 0.000 0.534 525 C N 1.640 120.974 119.300 0.057 0.000 2.264 525 C HA 0.331 4.791 4.460 0.001 0.000 0.324 525 C C 1.148 176.141 174.990 0.005 0.000 1.267 525 C CA -0.851 58.215 59.018 0.080 0.000 1.618 525 C CB 0.532 28.360 27.740 0.146 0.000 2.278 525 C HN 0.457 nan 8.230 nan 0.000 0.499 526 N N 0.805 119.471 118.700 -0.057 0.000 2.322 526 N HA 0.100 4.841 4.740 0.001 0.000 0.181 526 N C -0.601 174.638 175.510 -0.451 0.000 1.088 526 N CA 0.583 53.466 53.050 -0.278 0.000 0.885 526 N CB 0.427 38.672 38.487 -0.404 0.000 1.013 526 N HN 0.660 nan 8.380 nan 0.000 0.472 527 Y N -0.526 119.809 120.300 0.057 0.000 2.536 527 Y HA 0.549 5.100 4.550 0.001 0.000 0.347 527 Y C -0.144 175.817 175.900 0.103 0.000 1.000 527 Y CA -0.936 57.202 58.100 0.062 0.000 1.051 527 Y CB 1.985 40.474 38.460 0.048 0.000 1.259 527 Y HN -0.416 nan 8.280 nan 0.000 0.468 528 V N 2.721 122.801 119.914 0.276 0.000 2.482 528 V HA 0.405 4.526 4.120 0.001 0.000 0.295 528 V C -0.505 175.723 176.094 0.223 0.000 1.026 528 V CA -1.051 61.412 62.300 0.271 0.000 0.856 528 V CB 1.637 33.593 31.823 0.221 0.000 1.001 528 V HN 0.670 nan 8.190 nan 0.000 0.424 529 R N 3.997 124.611 120.500 0.191 0.000 2.370 529 R HA 0.509 4.849 4.340 0.001 0.000 0.309 529 R C -0.411 175.962 176.300 0.123 0.000 1.059 529 R CA 0.066 56.234 56.100 0.114 0.000 0.981 529 R CB 0.780 31.109 30.300 0.048 0.000 0.972 529 R HN 0.564 nan 8.270 nan 0.000 0.437 530 V N 4.038 124.017 119.914 0.107 0.000 3.842 530 V HA 0.383 4.503 4.120 0.001 0.000 0.281 530 V C 1.945 178.093 176.094 0.090 0.000 1.228 530 V CA 0.070 62.437 62.300 0.111 0.000 0.897 530 V CB 0.507 32.390 31.823 0.100 0.000 1.257 530 V HN 1.030 nan 8.190 nan 0.000 0.451 531 G N 1.243 110.096 108.800 0.089 0.000 3.628 531 G HA2 -0.354 3.607 3.960 0.001 0.000 0.237 531 G HA3 -0.354 3.607 3.960 0.001 0.000 0.237 531 G C 1.031 175.963 174.900 0.053 0.000 0.968 531 G CA 2.523 47.668 45.100 0.074 0.000 0.734 531 G HN 1.067 nan 8.290 nan 0.000 1.273 532 T N -2.344 112.231 114.554 0.036 0.000 3.058 532 T HA 0.350 4.700 4.350 0.001 0.000 0.278 532 T C 1.260 175.971 174.700 0.019 0.000 0.974 532 T CA 0.963 63.076 62.100 0.023 0.000 0.893 532 T CB 0.022 68.897 68.868 0.012 0.000 1.138 532 T HN 0.813 nan 8.240 nan 0.000 0.529 533 T N 0.349 114.919 114.554 0.027 0.000 3.332 533 T HA 0.444 4.795 4.350 0.001 0.000 0.367 533 T C 0.197 174.912 174.700 0.026 0.000 1.244 533 T CA -0.587 61.527 62.100 0.023 0.000 0.977 533 T CB 0.576 69.464 68.868 0.034 0.000 1.784 533 T HN 0.353 nan 8.240 nan 0.000 0.553 534 R N -0.098 120.424 120.500 0.036 0.000 3.233 534 R HA 0.333 4.674 4.340 0.001 0.000 0.301 534 R C -2.374 173.985 176.300 0.099 0.000 1.018 534 R CA -0.247 55.886 56.100 0.055 0.000 0.989 534 R CB 0.650 30.935 30.300 -0.025 0.000 1.393 534 R HN 0.558 nan 8.270 nan 0.000 0.370 535 V N 5.238 125.237 119.914 0.142 0.000 2.483 535 V HA 0.458 4.578 4.120 0.001 0.000 0.295 535 V C -1.952 174.266 176.094 0.208 0.000 1.035 535 V CA -2.148 60.245 62.300 0.155 0.000 0.896 535 V CB 1.881 33.764 31.823 0.100 0.000 0.986 535 V HN 0.579 nan 8.190 nan 0.000 0.447 536 P HA -0.030 nan 4.420 nan 0.000 0.266 536 P C -0.170 177.140 177.300 0.016 0.000 1.186 536 P CA -0.120 63.023 63.100 0.071 0.000 0.767 536 P CB 0.235 31.936 31.700 0.002 0.000 0.820 537 M N 4.038 123.607 119.600 -0.052 0.000 2.869 537 M HA 0.057 4.538 4.480 0.001 0.000 0.299 537 M C 0.182 176.454 176.300 -0.047 0.000 1.508 537 M CA 0.136 55.414 55.300 -0.035 0.000 1.551 537 M CB -1.586 30.982 32.600 -0.053 0.000 1.384 537 M HN 0.344 nan 8.290 nan 0.000 0.491 538 T N 0.473 115.011 114.554 -0.027 0.000 2.652 538 T HA 0.433 4.783 4.350 0.001 0.000 0.319 538 T C 1.281 175.962 174.700 -0.033 0.000 1.029 538 T CA -0.215 61.866 62.100 -0.031 0.000 0.990 538 T CB 0.366 69.220 68.868 -0.024 0.000 1.098 538 T HN 0.632 nan 8.240 nan 0.000 0.520 539 G N 0.530 109.312 108.800 -0.029 0.000 2.408 539 G HA2 0.063 4.023 3.960 0.001 0.000 0.215 539 G HA3 0.063 4.023 3.960 0.001 0.000 0.215 539 G C -0.403 174.488 174.900 -0.015 0.000 1.156 539 G CA 0.303 45.388 45.100 -0.024 0.000 0.793 539 G HN 0.696 nan 8.290 nan 0.000 0.535 540 P HA -0.015 nan 4.420 nan 0.000 0.214 540 P C 2.121 179.430 177.300 0.015 0.000 1.162 540 P CA 0.813 63.930 63.100 0.029 0.000 0.874 540 P CB -0.201 31.532 31.700 0.055 0.000 0.784 541 V N 1.848 121.764 119.914 0.003 0.000 2.231 541 V HA -0.261 3.860 4.120 0.001 0.000 0.248 541 V C 2.824 178.879 176.094 -0.065 0.000 1.054 541 V CA 2.406 64.698 62.300 -0.015 0.000 1.015 541 V CB -1.438 30.380 31.823 -0.008 0.000 0.638 541 V HN 0.152 nan 8.190 nan 0.000 0.444 542 K N -0.584 119.768 120.400 -0.079 0.000 2.366 542 K HA -0.248 4.073 4.320 0.001 0.000 0.202 542 K C 2.011 178.553 176.600 -0.096 0.000 1.045 542 K CA 1.498 57.719 56.287 -0.111 0.000 0.934 542 K CB -0.015 32.434 32.500 -0.084 0.000 0.746 542 K HN 0.534 nan 8.250 nan 0.000 0.470 543 E N 0.325 120.486 120.200 -0.066 0.000 2.086 543 E HA -0.136 4.215 4.350 0.001 0.000 0.190 543 E C 1.829 178.378 176.600 -0.085 0.000 0.975 543 E CA 0.762 57.125 56.400 -0.060 0.000 0.813 543 E CB -0.067 29.615 29.700 -0.031 0.000 0.768 543 E HN 0.115 nan 8.360 nan 0.000 0.457 544 K N 1.619 121.969 120.400 -0.083 0.000 2.032 544 K HA -0.091 4.230 4.320 0.001 0.000 0.209 544 K C 2.071 178.561 176.600 -0.183 0.000 1.048 544 K CA 0.947 57.164 56.287 -0.117 0.000 0.927 544 K CB -0.573 31.879 32.500 -0.078 0.000 0.712 544 K HN 0.040 nan 8.250 nan 0.000 0.441 545 I N 0.396 120.869 120.570 -0.161 0.000 2.052 545 I HA -0.351 3.820 4.170 0.001 0.000 0.235 545 I C 2.117 178.138 176.117 -0.160 0.000 1.046 545 I CA 1.610 62.819 61.300 -0.151 0.000 1.308 545 I CB -0.377 37.464 38.000 -0.266 0.000 1.031 545 I HN 0.123 nan 8.210 nan 0.000 0.395 546 L N 0.088 121.233 121.223 -0.129 0.000 2.189 546 L HA -0.239 4.102 4.340 0.001 0.000 0.214 546 L C 2.576 179.374 176.870 -0.119 0.000 1.097 546 L CA 1.049 55.832 54.840 -0.096 0.000 0.764 546 L CB -0.661 41.355 42.059 -0.072 0.000 0.900 546 L HN 0.236 nan 8.230 nan 0.000 0.436 547 S N -0.674 114.931 115.700 -0.157 0.000 2.355 547 S HA -0.117 4.354 4.470 0.001 0.000 0.222 547 S C 2.002 176.463 174.600 -0.231 0.000 1.031 547 S CA 1.248 59.350 58.200 -0.164 0.000 0.993 547 S CB -0.151 62.952 63.200 -0.162 0.000 0.859 547 S HN 0.199 nan 8.310 nan 0.000 0.453 548 V N 2.097 121.771 119.914 -0.400 0.000 2.488 548 V HA 0.002 4.123 4.120 0.001 0.000 0.246 548 V C 1.926 177.681 176.094 -0.565 0.000 1.046 548 V CA 1.025 62.942 62.300 -0.639 0.000 1.053 548 V CB -0.642 30.462 31.823 -1.198 0.000 0.679 548 V HN 0.455 nan 8.190 nan 0.000 0.458 549 I N -0.200 120.153 120.570 -0.362 0.000 2.800 549 I HA -0.250 3.921 4.170 0.001 0.000 0.266 549 I C 2.400 178.519 176.117 0.003 0.000 1.249 549 I CA 1.499 62.739 61.300 -0.101 0.000 1.458 549 I CB -0.320 37.681 38.000 0.003 0.000 1.093 549 I HN 0.320 nan 8.210 nan 0.000 0.466 550 K N 0.682 121.053 120.400 -0.048 0.000 2.172 550 K HA -0.076 4.245 4.320 0.001 0.000 0.203 550 K C 2.028 178.658 176.600 0.049 0.000 1.040 550 K CA 0.325 56.617 56.287 0.007 0.000 0.974 550 K CB 0.080 32.565 32.500 -0.025 0.000 0.857 550 K HN 0.105 nan 8.250 nan 0.000 0.464 551 E N -0.401 119.806 120.200 0.012 0.000 2.273 551 E HA -0.215 4.136 4.350 0.001 0.000 0.198 551 E C 1.082 177.856 176.600 0.290 0.000 1.002 551 E CA 1.177 57.633 56.400 0.092 0.000 0.828 551 E CB 0.122 29.844 29.700 0.037 0.000 0.747 551 E HN 0.329 nan 8.360 nan 0.000 0.491 552 W N -0.357 120.934 121.300 -0.014 0.000 2.601 552 W HA 0.275 4.936 4.660 0.001 0.000 0.292 552 W C 2.386 178.917 176.519 0.021 0.000 1.153 552 W CA 0.804 58.156 57.345 0.010 0.000 1.448 552 W CB -1.072 28.412 29.460 0.041 0.000 1.113 552 W HN 0.091 nan 8.180 nan 0.000 0.548 553 G N -0.595 108.368 108.800 0.271 0.000 2.776 553 G HA2 -0.096 3.865 3.960 0.001 0.000 0.209 553 G HA3 -0.096 3.865 3.960 0.001 0.000 0.209 553 G C 1.260 176.222 174.900 0.103 0.000 1.145 553 G CA 1.800 46.998 45.100 0.163 0.000 0.791 553 G HN 0.309 nan 8.290 nan 0.000 0.530 554 T N -2.934 111.677 114.554 0.096 0.000 3.019 554 T HA 0.352 4.702 4.350 0.001 0.000 0.247 554 T C 1.641 176.371 174.700 0.049 0.000 0.992 554 T CA 0.733 62.868 62.100 0.058 0.000 1.036 554 T CB -0.112 68.781 68.868 0.043 0.000 1.063 554 T HN 0.275 nan 8.240 nan 0.000 0.476 555 G N 2.298 111.137 108.800 0.064 0.000 2.902 555 G HA2 0.111 4.072 3.960 0.001 0.000 0.240 555 G HA3 0.111 4.072 3.960 0.001 0.000 0.240 555 G C 1.060 175.974 174.900 0.023 0.000 1.244 555 G CA 0.125 45.251 45.100 0.044 0.000 0.862 555 G HN 0.791 nan 8.290 nan 0.000 0.603 556 R N -0.445 120.061 120.500 0.009 0.000 2.154 556 R HA -0.146 4.195 4.340 0.001 0.000 0.248 556 R C 1.209 177.507 176.300 -0.004 0.000 1.155 556 R CA 2.043 58.145 56.100 0.003 0.000 0.979 556 R CB -0.365 29.934 30.300 -0.001 0.000 0.869 556 R HN 0.524 nan 8.270 nan 0.000 0.452 557 D N 1.005 121.395 120.400 -0.017 0.000 2.234 557 D HA -0.083 4.558 4.640 0.001 0.000 0.205 557 D C 0.307 176.598 176.300 -0.013 0.000 0.962 557 D CA 1.938 55.919 54.000 -0.033 0.000 0.855 557 D CB -0.054 40.700 40.800 -0.078 0.000 0.951 557 D HN 0.512 nan 8.370 nan 0.000 0.500 558 T N -0.721 113.840 114.554 0.011 0.000 3.720 558 T HA -0.249 4.102 4.350 0.001 0.000 0.381 558 T C 0.235 174.956 174.700 0.035 0.000 0.763 558 T CA 0.029 62.148 62.100 0.032 0.000 1.957 558 T CB -2.615 66.268 68.868 0.026 0.000 1.767 558 T HN 0.158 nan 8.240 nan 0.000 0.743 559 L N 0.459 121.706 121.223 0.039 0.000 2.426 559 L HA 0.384 4.725 4.340 0.001 0.000 0.271 559 L C 1.264 178.192 176.870 0.097 0.000 1.169 559 L CA -0.694 54.172 54.840 0.042 0.000 0.836 559 L CB 0.621 42.680 42.059 -0.000 0.000 1.112 559 L HN 0.475 nan 8.230 nan 0.000 0.465 560 R N 2.272 122.822 120.500 0.082 0.000 2.340 560 R HA 0.321 4.662 4.340 0.001 0.000 0.300 560 R C -1.194 175.190 176.300 0.141 0.000 1.069 560 R CA -0.416 55.744 56.100 0.099 0.000 0.984 560 R CB 0.622 30.965 30.300 0.072 0.000 1.003 560 R HN 0.631 nan 8.270 nan 0.000 0.459 561 C N 4.864 124.266 119.300 0.170 0.000 2.391 561 C HA 0.579 5.040 4.460 0.001 0.000 0.339 561 C C -0.863 174.230 174.990 0.171 0.000 1.205 561 C CA -0.776 58.371 59.018 0.215 0.000 1.937 561 C CB 0.985 28.889 27.740 0.273 0.000 2.341 561 C HN 0.681 nan 8.230 nan 0.000 0.516 562 L N 2.440 123.767 121.223 0.172 0.000 2.385 562 L HA 0.698 5.038 4.340 0.001 0.000 0.273 562 L C 0.136 177.086 176.870 0.132 0.000 0.990 562 L CA -0.033 54.888 54.840 0.135 0.000 0.821 562 L CB 1.526 43.646 42.059 0.102 0.000 1.279 562 L HN 0.846 nan 8.230 nan 0.000 0.412 563 A N 5.272 128.173 122.820 0.136 0.000 2.290 563 A HA 0.776 5.096 4.320 0.001 0.000 0.310 563 A C -0.971 176.659 177.584 0.077 0.000 1.202 563 A CA -0.378 51.749 52.037 0.150 0.000 0.837 563 A CB 0.229 19.354 19.000 0.208 0.000 1.139 563 A HN 0.641 nan 8.150 nan 0.000 0.509 564 L N 2.392 123.593 121.223 -0.036 0.000 2.298 564 L HA 0.728 5.069 4.340 0.001 0.000 0.284 564 L C 0.277 177.042 176.870 -0.175 0.000 1.013 564 L CA -0.184 54.598 54.840 -0.096 0.000 0.824 564 L CB 1.524 43.497 42.059 -0.144 0.000 1.221 564 L HN 0.830 nan 8.230 nan 0.000 0.418 565 A N 2.100 124.902 122.820 -0.031 0.000 2.566 565 A HA 0.953 5.274 4.320 0.001 0.000 0.292 565 A C -0.802 176.819 177.584 0.062 0.000 1.112 565 A CA -0.546 51.486 52.037 -0.008 0.000 0.707 565 A CB 2.094 21.138 19.000 0.073 0.000 1.302 565 A HN 0.506 nan 8.150 nan 0.000 0.409 566 T N 0.570 115.151 114.554 0.045 0.000 2.886 566 T HA 0.523 4.874 4.350 0.001 0.000 0.292 566 T C -0.370 174.302 174.700 -0.048 0.000 1.012 566 T CA -0.630 61.463 62.100 -0.012 0.000 0.982 566 T CB 1.549 70.401 68.868 -0.026 0.000 1.018 566 T HN 0.605 nan 8.240 nan 0.000 0.451 567 R N 2.017 122.448 120.500 -0.114 0.000 2.248 567 R HA 0.126 4.467 4.340 0.001 0.000 0.337 567 R C 0.001 176.213 176.300 -0.148 0.000 1.106 567 R CA -0.342 55.714 56.100 -0.074 0.000 0.959 567 R CB 0.199 30.468 30.300 -0.053 0.000 1.075 567 R HN 0.628 nan 8.270 nan 0.000 0.480 568 D N 1.488 121.829 120.400 -0.098 0.000 2.104 568 D HA -0.101 4.539 4.640 0.001 0.000 0.194 568 D C -0.004 176.219 176.300 -0.129 0.000 0.994 568 D CA 1.680 55.602 54.000 -0.130 0.000 0.830 568 D CB 0.380 41.106 40.800 -0.124 0.000 0.959 568 D HN 0.424 nan 8.370 nan 0.000 0.452 569 T N 3.098 117.606 114.554 -0.078 0.000 3.253 569 T HA 0.274 4.624 4.350 0.001 0.000 0.391 569 T C -2.392 172.299 174.700 -0.015 0.000 1.527 569 T CA -1.280 60.789 62.100 -0.052 0.000 1.268 569 T CB 1.991 70.846 68.868 -0.023 0.000 1.126 569 T HN 0.040 nan 8.240 nan 0.000 0.620 570 P HA 0.280 nan 4.420 nan 0.000 0.274 570 P C -2.331 175.047 177.300 0.131 0.000 1.231 570 P CA -1.276 61.845 63.100 0.034 0.000 0.790 570 P CB 0.187 31.840 31.700 -0.079 0.000 0.951 571 P HA 0.073 nan 4.420 nan 0.000 0.272 571 P C -0.205 177.205 177.300 0.182 0.000 1.248 571 P CA -0.040 63.159 63.100 0.165 0.000 0.799 571 P CB 0.715 32.530 31.700 0.192 0.000 0.997 572 K N 0.473 120.939 120.400 0.111 0.000 2.144 572 K HA 0.091 4.411 4.320 0.001 0.000 0.270 572 K C 1.606 178.185 176.600 -0.035 0.000 1.005 572 K CA -0.663 55.677 56.287 0.088 0.000 0.932 572 K CB 0.659 33.193 32.500 0.057 0.000 1.021 572 K HN 0.184 nan 8.250 nan 0.000 0.462 573 R N 2.631 123.049 120.500 -0.137 0.000 2.133 573 R HA -0.217 4.123 4.340 0.001 0.000 0.247 573 R C 0.953 177.122 176.300 -0.218 0.000 1.151 573 R CA 2.088 58.011 56.100 -0.296 0.000 0.971 573 R CB -0.262 29.872 30.300 -0.277 0.000 0.866 573 R HN 0.806 nan 8.270 nan 0.000 0.447 574 E N 0.454 120.586 120.200 -0.113 0.000 2.013 574 E HA -0.210 4.140 4.350 0.001 0.000 0.202 574 E C 1.189 177.748 176.600 -0.068 0.000 1.018 574 E CA 1.527 57.880 56.400 -0.078 0.000 0.834 574 E CB -0.353 29.326 29.700 -0.034 0.000 0.770 574 E HN 0.504 nan 8.360 nan 0.000 0.459 575 E N 0.616 120.798 120.200 -0.029 0.000 2.413 575 E HA -0.020 4.331 4.350 0.001 0.000 0.204 575 E C -0.249 176.371 176.600 0.034 0.000 1.275 575 E CA 0.235 56.648 56.400 0.020 0.000 1.090 575 E CB -0.408 29.327 29.700 0.057 0.000 1.145 575 E HN 0.262 nan 8.360 nan 0.000 0.472 576 M N 1.090 120.641 119.600 -0.081 0.000 2.263 576 M HA 0.233 4.714 4.480 0.001 0.000 0.295 576 M C -0.741 175.490 176.300 -0.114 0.000 1.028 576 M CA -1.034 54.156 55.300 -0.184 0.000 0.921 576 M CB 2.649 34.916 32.600 -0.555 0.000 1.601 576 M HN -0.155 nan 8.290 nan 0.000 0.440 577 V N 2.624 122.596 119.914 0.096 0.000 2.328 577 V HA 0.535 4.656 4.120 0.001 0.000 0.278 577 V C -0.485 175.715 176.094 0.178 0.000 1.021 577 V CA -0.611 61.742 62.300 0.089 0.000 0.838 577 V CB 0.673 32.565 31.823 0.116 0.000 0.999 577 V HN 0.824 nan 8.190 nan 0.000 0.447 578 L N 5.823 127.083 121.223 0.062 0.000 2.589 578 L HA 0.598 4.939 4.340 0.001 0.000 0.244 578 L C 0.039 177.021 176.870 0.188 0.000 1.159 578 L CA -0.088 54.866 54.840 0.190 0.000 1.074 578 L CB -0.020 41.969 42.059 -0.117 0.000 1.391 578 L HN 0.895 nan 8.230 nan 0.000 0.423 579 D N -0.033 120.461 120.400 0.156 0.000 2.682 579 D HA 0.036 4.677 4.640 0.001 0.000 0.291 579 D C -0.601 175.666 176.300 -0.055 0.000 1.585 579 D CA -0.138 53.895 54.000 0.055 0.000 0.845 579 D CB 0.677 41.490 40.800 0.022 0.000 1.323 579 D HN 0.465 nan 8.370 nan 0.000 0.438 580 D N 0.232 120.490 120.400 -0.237 0.000 2.795 580 D HA -0.031 4.610 4.640 0.001 0.000 0.206 580 D C 0.823 176.588 176.300 -0.892 0.000 1.278 580 D CA -0.282 53.493 54.000 -0.375 0.000 0.839 580 D CB 1.474 42.133 40.800 -0.236 0.000 1.700 580 D HN -0.138 nan 8.370 nan 0.000 0.549 581 S N 1.788 117.070 115.700 -0.697 0.000 2.440 581 S HA -0.236 4.234 4.470 0.001 0.000 0.238 581 S C 1.892 176.186 174.600 -0.510 0.000 1.010 581 S CA 1.510 59.277 58.200 -0.722 0.000 0.972 581 S CB -0.190 62.879 63.200 -0.219 0.000 0.774 581 S HN 0.494 nan 8.310 nan 0.000 0.501 582 S N 1.956 117.435 115.700 -0.368 0.000 2.372 582 S HA -0.177 4.293 4.470 0.001 0.000 0.227 582 S C 2.077 176.554 174.600 -0.204 0.000 1.044 582 S CA 1.240 59.305 58.200 -0.225 0.000 1.050 582 S CB -0.379 62.717 63.200 -0.174 0.000 0.901 582 S HN 0.530 nan 8.310 nan 0.000 0.447 583 R N -0.101 120.246 120.500 -0.254 0.000 2.200 583 R HA 0.191 4.532 4.340 0.001 0.000 0.208 583 R C 2.063 178.304 176.300 -0.099 0.000 1.033 583 R CA 0.571 56.540 56.100 -0.218 0.000 1.000 583 R CB -1.034 29.161 30.300 -0.174 0.000 0.906 583 R HN 0.608 nan 8.270 nan 0.000 0.462 584 F N 1.020 120.987 119.950 0.028 0.000 2.120 584 F HA -0.283 4.245 4.527 0.001 0.000 0.300 584 F C 2.592 178.435 175.800 0.072 0.000 1.095 584 F CA 0.828 58.939 58.000 0.185 0.000 1.249 584 F CB -0.400 38.698 39.000 0.164 0.000 0.995 584 F HN 0.028 nan 8.300 nan 0.000 0.480 585 M N 0.667 120.370 119.600 0.173 0.000 2.195 585 M HA -0.261 4.220 4.480 0.001 0.000 0.260 585 M C 2.040 178.368 176.300 0.046 0.000 1.066 585 M CA 1.854 57.204 55.300 0.082 0.000 1.089 585 M CB -0.291 32.317 32.600 0.013 0.000 1.377 585 M HN 0.189 nan 8.290 nan 0.000 0.411 586 E N -0.604 119.572 120.200 -0.041 0.000 2.028 586 E HA -0.190 4.161 4.350 0.001 0.000 0.190 586 E C 1.713 178.304 176.600 -0.016 0.000 0.984 586 E CA 1.463 57.802 56.400 -0.101 0.000 0.800 586 E CB -0.274 29.271 29.700 -0.258 0.000 0.758 586 E HN 0.684 nan 8.360 nan 0.000 0.448 587 Y N 1.314 121.691 120.300 0.127 0.000 2.298 587 Y HA -0.129 4.421 4.550 0.001 0.000 0.287 587 Y C 1.286 177.245 175.900 0.099 0.000 1.164 587 Y CA 1.067 59.241 58.100 0.123 0.000 1.229 587 Y CB -0.227 38.326 38.460 0.155 0.000 0.977 587 Y HN 0.112 nan 8.280 nan 0.000 0.538 588 E N 0.864 121.208 120.200 0.241 0.000 2.424 588 E HA 0.058 4.408 4.350 0.001 0.000 0.237 588 E C 0.227 176.895 176.600 0.113 0.000 1.381 588 E CA 0.116 56.611 56.400 0.159 0.000 1.587 588 E CB -0.379 29.408 29.700 0.145 0.000 1.398 588 E HN 0.347 nan 8.360 nan 0.000 0.439 589 T N -2.926 111.695 114.554 0.110 0.000 2.940 589 T HA 0.288 4.638 4.350 0.001 0.000 0.288 589 T C 0.099 174.853 174.700 0.091 0.000 1.045 589 T CA -0.902 61.248 62.100 0.083 0.000 1.018 589 T CB 1.584 70.488 68.868 0.061 0.000 1.151 589 T HN -0.015 nan 8.240 nan 0.000 0.529 590 D N -0.152 120.296 120.400 0.081 0.000 2.718 590 D HA -0.128 4.513 4.640 0.001 0.000 0.242 590 D C -0.606 175.785 176.300 0.150 0.000 1.123 590 D CA 0.407 54.472 54.000 0.109 0.000 0.690 590 D CB -1.598 39.278 40.800 0.127 0.000 1.059 590 D HN 0.648 nan 8.370 nan 0.000 0.429 591 L N -0.477 120.823 121.223 0.129 0.000 2.399 591 L HA 0.560 4.901 4.340 0.001 0.000 0.265 591 L C 1.020 178.005 176.870 0.191 0.000 1.089 591 L CA -0.667 54.255 54.840 0.136 0.000 0.802 591 L CB 1.498 43.626 42.059 0.114 0.000 1.180 591 L HN -0.049 nan 8.230 nan 0.000 0.454 592 T N 1.639 116.294 114.554 0.168 0.000 2.874 592 T HA 0.257 4.608 4.350 0.001 0.000 0.321 592 T C -0.389 174.408 174.700 0.160 0.000 1.075 592 T CA -0.318 61.899 62.100 0.196 0.000 0.966 592 T CB 0.077 69.022 68.868 0.127 0.000 1.001 592 T HN 0.298 nan 8.240 nan 0.000 0.476 593 F N 4.639 124.633 119.950 0.074 0.000 2.602 593 F HA 0.137 4.665 4.527 0.001 0.000 0.385 593 F C 0.807 176.628 175.800 0.034 0.000 1.063 593 F CA 0.187 58.214 58.000 0.045 0.000 1.233 593 F CB 0.540 39.562 39.000 0.036 0.000 1.067 593 F HN 0.321 nan 8.300 nan 0.000 0.564 594 V N 5.092 124.516 119.914 -0.816 0.000 2.521 594 V HA 0.458 4.578 4.120 0.001 0.000 0.239 594 V C 1.229 176.710 176.094 -1.021 0.000 1.053 594 V CA 0.866 62.786 62.300 -0.634 0.000 1.073 594 V CB -0.433 31.201 31.823 -0.315 0.000 0.746 594 V HN 1.097 nan 8.190 nan 0.000 0.476 595 G N -0.991 107.011 108.800 -1.329 0.000 2.428 595 G HA2 0.526 4.486 3.960 0.001 0.000 0.304 595 G HA3 0.526 4.486 3.960 0.001 0.000 0.304 595 G C -2.193 172.338 174.900 -0.615 0.000 1.303 595 G CA -0.150 44.353 45.100 -0.995 0.000 0.825 595 G HN 0.035 nan 8.290 nan 0.000 0.484 596 V N -0.124 119.461 119.914 -0.548 0.000 2.841 596 V HA 0.741 4.861 4.120 0.001 0.000 0.310 596 V C -0.076 176.039 176.094 0.036 0.000 1.090 596 V CA -0.647 61.532 62.300 -0.201 0.000 0.930 596 V CB 1.699 33.472 31.823 -0.084 0.000 1.014 596 V HN 1.325 nan 8.190 nan 0.000 0.425 597 V N 0.556 120.570 119.914 0.167 0.000 2.715 597 V HA 1.047 5.168 4.120 0.001 0.000 0.310 597 V C 0.224 176.503 176.094 0.309 0.000 1.054 597 V CA -0.566 61.882 62.300 0.246 0.000 0.928 597 V CB 1.791 33.681 31.823 0.112 0.000 1.007 597 V HN 1.053 nan 8.190 nan 0.000 0.437 598 G N 4.452 113.415 108.800 0.272 0.000 2.675 598 G HA2 0.648 4.609 3.960 0.001 0.000 0.297 598 G HA3 0.648 4.609 3.960 0.001 0.000 0.297 598 G C -0.653 174.271 174.900 0.040 0.000 1.399 598 G CA -0.822 44.392 45.100 0.190 0.000 0.981 598 G HN 1.035 nan 8.290 nan 0.000 0.519 599 M N 2.072 121.706 119.600 0.056 0.000 2.792 599 M HA 0.930 5.411 4.480 0.001 0.000 0.294 599 M C -0.425 175.882 176.300 0.011 0.000 1.215 599 M CA -0.982 54.331 55.300 0.022 0.000 0.883 599 M CB 2.193 34.817 32.600 0.040 0.000 1.620 599 M HN 0.585 nan 8.290 nan 0.000 0.511 600 L N -1.918 119.304 121.223 -0.001 0.000 3.075 600 L HA 0.508 4.848 4.340 0.001 0.000 0.274 600 L C -2.049 174.810 176.870 -0.019 0.000 1.006 600 L CA -1.038 53.797 54.840 -0.007 0.000 0.972 600 L CB 1.709 43.754 42.059 -0.024 0.000 1.515 600 L HN 0.757 nan 8.230 nan 0.000 0.402 601 D N 3.222 123.609 120.400 -0.022 0.000 2.339 601 D HA 0.449 5.090 4.640 0.001 0.000 0.241 601 D C -2.443 173.827 176.300 -0.049 0.000 1.183 601 D CA -1.435 52.542 54.000 -0.038 0.000 0.859 601 D CB 1.262 42.045 40.800 -0.028 0.000 1.067 601 D HN 0.468 nan 8.370 nan 0.000 0.484 602 P HA 0.301 nan 4.420 nan 0.000 0.276 602 P C -2.765 174.500 177.300 -0.059 0.000 1.244 602 P CA -1.648 61.416 63.100 -0.060 0.000 0.801 602 P CB 0.616 32.277 31.700 -0.066 0.000 1.006 603 P HA 0.189 nan 4.420 nan 0.000 0.281 603 P C 0.279 177.558 177.300 -0.036 0.000 1.252 603 P CA -0.114 62.955 63.100 -0.052 0.000 0.778 603 P CB 0.747 32.413 31.700 -0.057 0.000 0.895 604 R N 1.351 121.836 120.500 -0.025 0.000 2.919 604 R HA -0.040 4.301 4.340 0.001 0.000 0.271 604 R C 0.639 176.944 176.300 0.008 0.000 0.995 604 R CA 0.110 56.206 56.100 -0.007 0.000 1.158 604 R CB -0.141 30.167 30.300 0.014 0.000 1.071 604 R HN 0.364 nan 8.270 nan 0.000 0.476 605 K N 2.338 122.743 120.400 0.010 0.000 2.453 605 K HA -0.132 4.189 4.320 0.001 0.000 0.280 605 K C 0.223 176.839 176.600 0.028 0.000 1.045 605 K CA 0.913 57.208 56.287 0.013 0.000 1.059 605 K CB 0.092 32.598 32.500 0.011 0.000 0.901 605 K HN 0.577 nan 8.250 nan 0.000 0.475 606 E N 0.773 120.989 120.200 0.026 0.000 4.562 606 E HA -0.282 4.069 4.350 0.001 0.000 0.293 606 E C 1.297 177.936 176.600 0.066 0.000 0.724 606 E CA 1.306 57.726 56.400 0.034 0.000 1.636 606 E CB -1.872 27.843 29.700 0.024 0.000 1.797 606 E HN 0.432 nan 8.360 nan 0.000 0.420 607 V N 1.813 121.785 119.914 0.098 0.000 2.313 607 V HA -0.331 3.790 4.120 0.001 0.000 0.253 607 V C 2.639 178.802 176.094 0.114 0.000 1.070 607 V CA 2.709 65.117 62.300 0.180 0.000 1.057 607 V CB -0.551 31.346 31.823 0.124 0.000 0.653 607 V HN 0.327 nan 8.190 nan 0.000 0.450 608 M N -0.160 119.467 119.600 0.044 0.000 2.108 608 M HA -0.132 4.348 4.480 0.001 0.000 0.261 608 M C 2.202 178.522 176.300 0.033 0.000 1.066 608 M CA 2.242 57.552 55.300 0.017 0.000 1.107 608 M CB -1.133 31.468 32.600 0.000 0.000 1.356 608 M HN 0.526 nan 8.290 nan 0.000 0.406 609 G N -1.396 107.428 108.800 0.040 0.000 2.603 609 G HA2 -0.044 3.916 3.960 0.001 0.000 0.214 609 G HA3 -0.044 3.916 3.960 0.001 0.000 0.214 609 G C 1.604 176.533 174.900 0.049 0.000 1.140 609 G CA 0.408 45.529 45.100 0.034 0.000 0.800 609 G HN 0.412 nan 8.290 nan 0.000 0.533 610 S N 0.613 116.362 115.700 0.083 0.000 2.368 610 S HA -0.002 4.469 4.470 0.001 0.000 0.224 610 S C 2.224 176.912 174.600 0.146 0.000 1.029 610 S CA 0.493 58.743 58.200 0.084 0.000 0.988 610 S CB -0.179 63.072 63.200 0.085 0.000 0.838 610 S HN 0.343 nan 8.310 nan 0.000 0.462 611 I N 1.527 122.236 120.570 0.232 0.000 2.208 611 I HA -0.229 3.942 4.170 0.001 0.000 0.245 611 I C 2.767 178.932 176.117 0.082 0.000 1.097 611 I CA 1.257 62.669 61.300 0.186 0.000 1.363 611 I CB -0.320 37.719 38.000 0.064 0.000 1.051 611 I HN 0.283 nan 8.210 nan 0.000 0.413 612 Q N 1.258 121.089 119.800 0.052 0.000 2.124 612 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 612 Q C 2.070 178.084 176.000 0.023 0.000 0.977 612 Q CA 1.689 57.508 55.803 0.027 0.000 0.850 612 Q CB -0.428 28.321 28.738 0.018 0.000 0.901 612 Q HN 0.497 nan 8.270 nan 0.000 0.429 613 L N -0.934 120.304 121.223 0.026 0.000 2.046 613 L HA -0.235 4.105 4.340 0.001 0.000 0.208 613 L C 2.358 179.232 176.870 0.006 0.000 1.077 613 L CA 1.188 56.033 54.840 0.008 0.000 0.747 613 L CB -0.326 41.730 42.059 -0.004 0.000 0.896 613 L HN 0.366 nan 8.230 nan 0.000 0.432 614 C N -0.955 118.359 119.300 0.023 0.000 2.413 614 C HA -0.185 4.276 4.460 0.001 0.000 0.276 614 C C 2.875 177.875 174.990 0.017 0.000 1.248 614 C CA 0.700 59.731 59.018 0.022 0.000 1.742 614 C CB -1.017 26.762 27.740 0.066 0.000 2.017 614 C HN 0.444 nan 8.230 nan 0.000 0.481 615 R N 0.808 121.320 120.500 0.021 0.000 2.091 615 R HA -0.140 4.200 4.340 0.001 0.000 0.238 615 R C 1.657 177.959 176.300 0.003 0.000 1.136 615 R CA 1.765 57.872 56.100 0.011 0.000 0.959 615 R CB -0.306 30.001 30.300 0.011 0.000 0.856 615 R HN 0.603 nan 8.270 nan 0.000 0.437 616 D N -0.534 119.866 120.400 0.000 0.000 2.269 616 D HA -0.082 4.558 4.640 0.001 0.000 0.208 616 D C 0.749 177.042 176.300 -0.011 0.000 0.963 616 D CA 0.981 54.977 54.000 -0.007 0.000 0.864 616 D CB 0.193 40.988 40.800 -0.008 0.000 0.936 616 D HN 0.264 nan 8.370 nan 0.000 0.505 617 A N 0.211 123.026 122.820 -0.010 0.000 2.577 617 A HA 0.477 4.798 4.320 0.001 0.000 0.280 617 A C 1.445 179.021 177.584 -0.013 0.000 1.331 617 A CA 0.348 52.376 52.037 -0.015 0.000 0.935 617 A CB -0.291 18.697 19.000 -0.020 0.000 1.082 617 A HN 0.120 nan 8.150 nan 0.000 0.525 618 G N 0.276 109.070 108.800 -0.009 0.000 2.379 618 G HA2 -0.250 3.711 3.960 0.001 0.000 0.297 618 G HA3 -0.250 3.711 3.960 0.001 0.000 0.297 618 G C 0.023 174.922 174.900 -0.002 0.000 1.004 618 G CA 0.753 45.849 45.100 -0.006 0.000 0.921 618 G HN 0.591 nan 8.290 nan 0.000 0.511 619 I N 0.206 120.778 120.570 0.004 0.000 2.336 619 I HA 0.321 4.491 4.170 0.001 0.000 0.292 619 I C 0.899 177.032 176.117 0.027 0.000 0.991 619 I CA -0.841 60.467 61.300 0.013 0.000 1.227 619 I CB 1.155 39.161 38.000 0.011 0.000 1.366 619 I HN 0.004 nan 8.210 nan 0.000 0.466 620 R N 5.085 125.603 120.500 0.030 0.000 2.347 620 R HA 0.379 4.719 4.340 0.001 0.000 0.304 620 R C -0.869 175.460 176.300 0.048 0.000 1.072 620 R CA -0.445 55.673 56.100 0.031 0.000 0.980 620 R CB 1.275 31.595 30.300 0.033 0.000 0.986 620 R HN 0.369 nan 8.270 nan 0.000 0.448 621 V N 6.160 126.090 119.914 0.027 0.000 2.328 621 V HA 0.361 4.482 4.120 0.001 0.000 0.278 621 V C 0.330 176.397 176.094 -0.045 0.000 1.021 621 V CA -0.485 61.833 62.300 0.031 0.000 0.838 621 V CB 1.191 33.030 31.823 0.026 0.000 0.999 621 V HN 0.616 nan 8.190 nan 0.000 0.447 622 I N 5.497 126.070 120.570 0.005 0.000 2.362 622 I HA 0.434 4.605 4.170 0.001 0.000 0.289 622 I C -0.026 176.096 176.117 0.010 0.000 0.994 622 I CA -0.326 60.985 61.300 0.018 0.000 1.158 622 I CB 1.721 39.812 38.000 0.152 0.000 1.315 622 I HN 0.585 nan 8.210 nan 0.000 0.451 623 M N 7.586 127.154 119.600 -0.053 0.000 2.146 623 M HA 0.493 4.974 4.480 0.001 0.000 0.357 623 M C -1.176 175.165 176.300 0.069 0.000 1.261 623 M CA -0.086 55.182 55.300 -0.054 0.000 1.106 623 M CB 0.764 33.283 32.600 -0.136 0.000 1.612 623 M HN 0.480 nan 8.290 nan 0.000 0.470 624 I N 3.989 124.600 120.570 0.068 0.000 2.404 624 I HA 0.481 4.652 4.170 0.001 0.000 0.293 624 I C -0.100 176.050 176.117 0.055 0.000 0.992 624 I CA -0.322 61.042 61.300 0.107 0.000 1.149 624 I CB 2.125 40.155 38.000 0.050 0.000 1.315 624 I HN 0.710 nan 8.210 nan 0.000 0.446 625 T N 2.483 117.080 114.554 0.072 0.000 2.739 625 T HA 0.417 4.768 4.350 0.001 0.000 0.303 625 T C 0.513 175.242 174.700 0.048 0.000 1.389 625 T CA -0.049 62.076 62.100 0.041 0.000 1.001 625 T CB 1.567 70.449 68.868 0.024 0.000 1.436 625 T HN 0.696 nan 8.240 nan 0.000 0.500 626 G N 0.523 109.341 108.800 0.031 0.000 2.887 626 G HA2 0.218 4.179 3.960 0.001 0.000 0.211 626 G HA3 0.218 4.179 3.960 0.001 0.000 0.211 626 G C 0.235 175.157 174.900 0.037 0.000 1.152 626 G CA -0.001 45.118 45.100 0.032 0.000 0.769 626 G HN 0.681 nan 8.290 nan 0.000 0.541 627 D N 0.611 121.031 120.400 0.034 0.000 2.278 627 D HA 0.191 4.831 4.640 0.001 0.000 0.240 627 D C 0.768 177.095 176.300 0.043 0.000 1.347 627 D CA 0.332 54.352 54.000 0.033 0.000 0.945 627 D CB 0.363 41.178 40.800 0.026 0.000 1.175 627 D HN 0.454 nan 8.370 nan 0.000 0.519 628 N N -1.029 117.694 118.700 0.039 0.000 2.489 628 N HA 0.154 4.895 4.740 0.001 0.000 0.284 628 N C 0.393 175.927 175.510 0.040 0.000 1.158 628 N CA -0.805 52.271 53.050 0.042 0.000 0.965 628 N CB 1.294 39.802 38.487 0.035 0.000 1.195 628 N HN 0.244 nan 8.380 nan 0.000 0.506 629 K N 0.851 121.276 120.400 0.041 0.000 2.015 629 K HA -0.234 4.086 4.320 0.001 0.000 0.220 629 K C 1.838 178.448 176.600 0.016 0.000 1.055 629 K CA 2.253 58.557 56.287 0.028 0.000 0.951 629 K CB -1.023 31.485 32.500 0.014 0.000 0.725 629 K HN 0.775 nan 8.250 nan 0.000 0.449 630 G N 0.073 108.879 108.800 0.009 0.000 2.553 630 G HA2 -0.382 3.579 3.960 0.001 0.000 0.218 630 G HA3 -0.382 3.579 3.960 0.001 0.000 0.218 630 G C 1.564 176.472 174.900 0.014 0.000 1.195 630 G CA 2.253 47.356 45.100 0.005 0.000 0.779 630 G HN 0.597 nan 8.290 nan 0.000 0.577 631 T N -0.507 114.059 114.554 0.020 0.000 2.821 631 T HA 0.195 4.545 4.350 0.001 0.000 0.267 631 T C 2.573 177.286 174.700 0.022 0.000 1.046 631 T CA 1.875 63.988 62.100 0.021 0.000 1.139 631 T CB -0.429 68.453 68.868 0.022 0.000 0.871 631 T HN 0.441 nan 8.240 nan 0.000 0.454 632 A N 2.035 124.871 122.820 0.026 0.000 1.877 632 A HA 0.089 4.410 4.320 0.001 0.000 0.216 632 A C 2.434 180.044 177.584 0.044 0.000 1.186 632 A CA 1.478 53.531 52.037 0.027 0.000 0.620 632 A CB -0.897 18.125 19.000 0.035 0.000 0.822 632 A HN 0.590 nan 8.150 nan 0.000 0.443 633 I N -0.113 120.495 120.570 0.063 0.000 2.151 633 I HA -0.344 3.827 4.170 0.001 0.000 0.243 633 I C 2.991 179.183 176.117 0.125 0.000 1.080 633 I CA 1.173 62.549 61.300 0.128 0.000 1.339 633 I CB -0.711 37.316 38.000 0.046 0.000 1.039 633 I HN 0.394 nan 8.210 nan 0.000 0.409 634 A N 1.870 124.724 122.820 0.058 0.000 1.842 634 A HA -0.237 4.083 4.320 0.001 0.000 0.217 634 A C 2.263 179.866 177.584 0.033 0.000 1.206 634 A CA 2.050 54.111 52.037 0.040 0.000 0.630 634 A CB -1.159 17.855 19.000 0.022 0.000 0.839 634 A HN 0.412 nan 8.150 nan 0.000 0.447 635 I N -0.345 120.232 120.570 0.011 0.000 2.367 635 I HA -0.407 3.764 4.170 0.001 0.000 0.256 635 I C 2.390 178.484 176.117 -0.038 0.000 1.132 635 I CA 1.302 62.591 61.300 -0.018 0.000 1.397 635 I CB -0.680 37.302 38.000 -0.030 0.000 1.074 635 I HN 0.420 nan 8.210 nan 0.000 0.435 636 C N 0.221 119.512 119.300 -0.015 0.000 2.457 636 C HA -0.046 4.414 4.460 0.001 0.000 0.278 636 C C 2.836 177.825 174.990 -0.001 0.000 1.309 636 C CA 0.471 59.440 59.018 -0.082 0.000 1.735 636 C CB -1.040 26.613 27.740 -0.145 0.000 1.992 636 C HN 0.432 nan 8.230 nan 0.000 0.493 637 R N 0.301 120.864 120.500 0.104 0.000 2.193 637 R HA -0.023 4.318 4.340 0.001 0.000 0.213 637 R C 2.409 178.725 176.300 0.026 0.000 1.055 637 R CA 0.488 56.647 56.100 0.098 0.000 0.995 637 R CB -0.255 30.099 30.300 0.088 0.000 0.893 637 R HN 0.529 nan 8.270 nan 0.000 0.459 638 R N 1.568 122.069 120.500 0.001 0.000 2.073 638 R HA -0.055 4.286 4.340 0.001 0.000 0.229 638 R C 2.176 178.455 176.300 -0.036 0.000 1.120 638 R CA 1.344 57.432 56.100 -0.021 0.000 0.967 638 R CB -0.040 30.243 30.300 -0.028 0.000 0.862 638 R HN 0.286 nan 8.270 nan 0.000 0.436 639 I N -4.194 116.342 120.570 -0.056 0.000 3.030 639 I HA 0.325 4.495 4.170 0.001 0.000 0.270 639 I C 1.172 177.248 176.117 -0.068 0.000 1.211 639 I CA 1.064 62.319 61.300 -0.075 0.000 1.479 639 I CB 0.622 38.546 38.000 -0.126 0.000 1.105 639 I HN 0.348 nan 8.210 nan 0.000 0.447 640 G N 1.752 110.515 108.800 -0.060 0.000 2.336 640 G HA2 -0.212 3.749 3.960 0.001 0.000 0.194 640 G HA3 -0.212 3.749 3.960 0.001 0.000 0.194 640 G C 0.800 175.657 174.900 -0.071 0.000 0.999 640 G CA 0.176 45.251 45.100 -0.041 0.000 0.669 640 G HN 0.363 nan 8.290 nan 0.000 0.482 641 I N 0.209 120.669 120.570 -0.183 0.000 2.399 641 I HA 0.026 4.197 4.170 0.001 0.000 0.254 641 I C 0.829 176.755 176.117 -0.319 0.000 1.146 641 I CA 1.388 62.477 61.300 -0.352 0.000 1.412 641 I CB -0.161 37.476 38.000 -0.604 0.000 1.076 641 I HN 0.203 nan 8.210 nan 0.000 0.432 642 F N -0.549 119.372 119.950 -0.049 0.000 2.565 642 F HA 0.486 5.013 4.527 0.001 0.000 0.313 642 F C 0.833 176.609 175.800 -0.040 0.000 1.091 642 F CA -1.235 56.736 58.000 -0.047 0.000 0.915 642 F CB 1.460 40.426 39.000 -0.056 0.000 1.208 642 F HN -0.223 nan 8.300 nan 0.000 0.453 643 G N 1.155 110.056 108.800 0.169 0.000 2.594 643 G HA2 0.107 4.068 3.960 0.001 0.000 0.243 643 G HA3 0.107 4.068 3.960 0.001 0.000 0.243 643 G C 0.798 175.728 174.900 0.050 0.000 1.229 643 G CA -0.339 44.804 45.100 0.072 0.000 0.843 643 G HN 0.918 nan 8.290 nan 0.000 0.578 644 E N 0.046 120.261 120.200 0.025 0.000 2.171 644 E HA -0.209 4.142 4.350 0.001 0.000 0.197 644 E C 0.792 177.387 176.600 -0.008 0.000 0.997 644 E CA 1.461 57.867 56.400 0.011 0.000 0.810 644 E CB -0.194 29.507 29.700 0.002 0.000 0.738 644 E HN 0.642 nan 8.360 nan 0.000 0.467 645 N N 0.668 119.358 118.700 -0.018 0.000 2.571 645 N HA 0.076 4.817 4.740 0.001 0.000 0.298 645 N C -1.007 174.471 175.510 -0.054 0.000 1.671 645 N CA -0.239 52.789 53.050 -0.037 0.000 0.900 645 N CB 0.741 39.210 38.487 -0.030 0.000 1.365 645 N HN 0.147 nan 8.380 nan 0.000 0.493 646 E N 1.975 122.134 120.200 -0.069 0.000 2.216 646 E HA 0.040 4.391 4.350 0.001 0.000 0.279 646 E C -0.330 176.162 176.600 -0.180 0.000 0.997 646 E CA -0.540 55.803 56.400 -0.095 0.000 0.817 646 E CB 1.038 30.705 29.700 -0.056 0.000 1.096 646 E HN 0.223 nan 8.360 nan 0.000 0.393 647 E N 3.811 123.911 120.200 -0.167 0.000 2.257 647 E HA 0.079 4.429 4.350 0.001 0.000 0.278 647 E C 0.252 176.670 176.600 -0.302 0.000 1.049 647 E CA -0.391 55.888 56.400 -0.202 0.000 0.876 647 E CB 1.266 30.884 29.700 -0.137 0.000 1.035 647 E HN 0.317 nan 8.360 nan 0.000 0.419 648 V N -0.617 119.047 119.914 -0.415 0.000 2.872 648 V HA 0.490 4.611 4.120 0.001 0.000 0.367 648 V C 1.067 176.919 176.094 -0.403 0.000 1.343 648 V CA 0.021 61.979 62.300 -0.569 0.000 1.219 648 V CB 0.240 31.273 31.823 -1.317 0.000 1.308 648 V HN 0.608 nan 8.190 nan 0.000 0.610 649 A N 1.414 124.067 122.820 -0.278 0.000 2.248 649 A HA 0.035 4.356 4.320 0.001 0.000 0.210 649 A C 1.390 178.819 177.584 -0.258 0.000 1.174 649 A CA 1.499 53.396 52.037 -0.233 0.000 0.750 649 A CB -0.308 18.595 19.000 -0.162 0.000 0.780 649 A HN 0.889 nan 8.150 nan 0.000 0.478 650 D N -2.559 117.686 120.400 -0.258 0.000 2.562 650 D HA 0.096 4.737 4.640 0.001 0.000 0.246 650 D C 0.578 176.761 176.300 -0.195 0.000 1.347 650 D CA -0.191 53.669 54.000 -0.233 0.000 0.800 650 D CB -0.274 40.491 40.800 -0.059 0.000 1.111 650 D HN 0.347 nan 8.370 nan 0.000 0.508 651 R N 0.556 120.921 120.500 -0.225 0.000 2.700 651 R HA 0.620 4.960 4.340 0.001 0.000 0.399 651 R C -0.414 175.875 176.300 -0.019 0.000 1.115 651 R CA -0.085 56.009 56.100 -0.010 0.000 1.058 651 R CB 1.663 32.036 30.300 0.122 0.000 1.389 651 R HN 0.144 nan 8.270 nan 0.000 0.582 652 A N 0.250 122.843 122.820 -0.378 0.000 2.517 652 A HA 0.711 5.031 4.320 0.001 0.000 0.297 652 A C -1.672 175.555 177.584 -0.596 0.000 1.050 652 A CA -0.558 51.311 52.037 -0.280 0.000 0.694 652 A CB 1.076 20.005 19.000 -0.117 0.000 1.277 652 A HN 0.201 nan 8.150 nan 0.000 0.400 653 Y N -0.305 119.914 120.300 -0.134 0.000 2.597 653 Y HA 0.680 5.231 4.550 0.001 0.000 0.340 653 Y C 0.615 176.606 175.900 0.152 0.000 1.097 653 Y CA -0.157 57.969 58.100 0.044 0.000 1.037 653 Y CB 2.522 41.080 38.460 0.163 0.000 1.305 653 Y HN 0.857 nan 8.280 nan 0.000 0.463 654 T N -2.429 112.338 114.554 0.355 0.000 2.932 654 T HA 0.503 4.854 4.350 0.001 0.000 0.289 654 T C 1.097 176.004 174.700 0.345 0.000 1.039 654 T CA -0.182 62.093 62.100 0.290 0.000 1.024 654 T CB 1.554 70.535 68.868 0.189 0.000 1.090 654 T HN 0.849 nan 8.240 nan 0.000 0.496 655 G N 1.158 110.154 108.800 0.327 0.000 2.631 655 G HA2 -0.336 3.624 3.960 0.001 0.000 0.219 655 G HA3 -0.336 3.624 3.960 0.001 0.000 0.219 655 G C 1.449 176.552 174.900 0.339 0.000 1.214 655 G CA 1.282 46.632 45.100 0.417 0.000 0.785 655 G HN 0.908 nan 8.290 nan 0.000 0.596 656 R N 0.614 121.271 120.500 0.262 0.000 2.096 656 R HA -0.125 4.215 4.340 0.001 0.000 0.240 656 R C 2.646 179.054 176.300 0.180 0.000 1.139 656 R CA 1.984 58.202 56.100 0.195 0.000 0.952 656 R CB -0.326 30.059 30.300 0.142 0.000 0.854 656 R HN 0.596 nan 8.270 nan 0.000 0.436 657 E N -0.632 119.695 120.200 0.211 0.000 2.085 657 E HA -0.246 4.105 4.350 0.001 0.000 0.194 657 E C 1.813 178.530 176.600 0.195 0.000 0.994 657 E CA 1.494 58.018 56.400 0.207 0.000 0.801 657 E CB -0.265 29.600 29.700 0.275 0.000 0.743 657 E HN 0.341 nan 8.360 nan 0.000 0.453 658 F N 2.206 122.214 119.950 0.097 0.000 2.075 658 F HA -0.202 4.325 4.527 0.001 0.000 0.297 658 F C 1.820 177.583 175.800 -0.063 0.000 1.113 658 F CA 1.680 59.667 58.000 -0.022 0.000 1.218 658 F CB 0.038 38.986 39.000 -0.086 0.000 0.984 658 F HN -0.111 nan 8.300 nan 0.000 0.472 659 D N -0.118 120.338 120.400 0.093 0.000 2.221 659 D HA -0.195 4.446 4.640 0.001 0.000 0.204 659 D C 1.676 177.961 176.300 -0.025 0.000 0.982 659 D CA 1.431 55.454 54.000 0.037 0.000 0.857 659 D CB -0.571 40.311 40.800 0.137 0.000 0.934 659 D HN 0.372 nan 8.370 nan 0.000 0.475 660 D N -0.768 119.626 120.400 -0.010 0.000 2.269 660 D HA -0.025 4.616 4.640 0.001 0.000 0.208 660 D C 0.366 176.624 176.300 -0.071 0.000 0.963 660 D CA 0.244 54.234 54.000 -0.017 0.000 0.864 660 D CB 0.212 41.026 40.800 0.024 0.000 0.936 660 D HN 0.075 nan 8.370 nan 0.000 0.505 661 L N 1.050 122.178 121.223 -0.158 0.000 2.466 661 L HA 0.328 4.669 4.340 0.001 0.000 0.257 661 L C -1.888 174.859 176.870 -0.205 0.000 1.189 661 L CA -1.575 53.145 54.840 -0.200 0.000 0.813 661 L CB 0.237 42.097 42.059 -0.331 0.000 1.118 661 L HN -0.035 nan 8.230 nan 0.000 0.471 662 P HA 0.146 nan 4.420 nan 0.000 0.286 662 P C 0.466 177.672 177.300 -0.156 0.000 1.261 662 P CA -0.638 62.388 63.100 -0.122 0.000 0.821 662 P CB 1.504 33.156 31.700 -0.080 0.000 1.013 663 L N 2.936 124.104 121.223 -0.091 0.000 2.082 663 L HA -0.301 4.039 4.340 0.001 0.000 0.223 663 L C 2.618 179.417 176.870 -0.118 0.000 1.086 663 L CA 2.926 57.740 54.840 -0.043 0.000 0.793 663 L CB -2.096 39.993 42.059 0.051 0.000 0.896 663 L HN 0.527 nan 8.230 nan 0.000 0.441 664 A N -1.803 120.962 122.820 -0.092 0.000 2.014 664 A HA -0.150 4.171 4.320 0.001 0.000 0.218 664 A C 2.175 179.671 177.584 -0.146 0.000 1.163 664 A CA 1.369 53.351 52.037 -0.091 0.000 0.652 664 A CB -0.367 18.605 19.000 -0.047 0.000 0.808 664 A HN 0.564 nan 8.150 nan 0.000 0.449 665 E N -0.760 119.327 120.200 -0.188 0.000 2.318 665 E HA -0.091 4.260 4.350 0.001 0.000 0.193 665 E C 2.034 178.414 176.600 -0.366 0.000 0.998 665 E CA 0.454 56.729 56.400 -0.209 0.000 0.859 665 E CB -0.012 29.586 29.700 -0.169 0.000 0.812 665 E HN 0.718 nan 8.360 nan 0.000 0.492 666 Q N 0.416 119.888 119.800 -0.546 0.000 2.096 666 Q HA -0.063 4.277 4.340 0.001 0.000 0.197 666 Q C 2.231 177.692 176.000 -0.899 0.000 0.964 666 Q CA 0.708 55.978 55.803 -0.889 0.000 0.838 666 Q CB 0.013 28.171 28.738 -0.966 0.000 0.906 666 Q HN 0.072 nan 8.270 nan 0.000 0.444 667 R N 0.814 120.697 120.500 -1.028 0.000 2.081 667 R HA -0.208 4.133 4.340 0.001 0.000 0.235 667 R C 2.001 178.239 176.300 -0.102 0.000 1.131 667 R CA 1.643 57.294 56.100 -0.749 0.000 0.960 667 R CB 0.040 30.188 30.300 -0.254 0.000 0.856 667 R HN 0.092 nan 8.270 nan 0.000 0.436 668 E N 0.605 120.753 120.200 -0.088 0.000 2.051 668 E HA -0.121 4.230 4.350 0.001 0.000 0.192 668 E C 1.719 178.312 176.600 -0.012 0.000 0.991 668 E CA 1.743 58.153 56.400 0.015 0.000 0.799 668 E CB -0.340 29.350 29.700 -0.017 0.000 0.748 668 E HN 0.396 nan 8.360 nan 0.000 0.449 669 A N 0.230 122.991 122.820 -0.097 0.000 1.896 669 A HA -0.311 4.010 4.320 0.001 0.000 0.220 669 A C 2.627 180.249 177.584 0.063 0.000 1.206 669 A CA 2.039 54.003 52.037 -0.122 0.000 0.647 669 A CB -1.342 17.414 19.000 -0.407 0.000 0.828 669 A HN 0.538 nan 8.150 nan 0.000 0.455 670 C N -0.402 118.996 119.300 0.164 0.000 2.419 670 C HA -0.068 4.393 4.460 0.001 0.000 0.281 670 C C 2.685 177.776 174.990 0.168 0.000 1.336 670 C CA 1.039 60.217 59.018 0.266 0.000 1.770 670 C CB -1.506 26.440 27.740 0.343 0.000 1.929 670 C HN 0.795 nan 8.230 nan 0.000 0.509 671 R N 1.869 122.399 120.500 0.050 0.000 2.280 671 R HA -0.034 4.307 4.340 0.001 0.000 0.207 671 R C 1.905 178.142 176.300 -0.106 0.000 1.043 671 R CA 1.281 57.262 56.100 -0.200 0.000 1.006 671 R CB -0.389 29.393 30.300 -0.864 0.000 0.885 671 R HN 0.722 nan 8.270 nan 0.000 0.467 672 R N -0.035 120.460 120.500 -0.007 0.000 2.383 672 R HA 0.375 4.715 4.340 0.001 0.000 0.205 672 R C 0.541 176.888 176.300 0.079 0.000 0.875 672 R CA 0.211 56.326 56.100 0.025 0.000 1.039 672 R CB -0.020 30.296 30.300 0.027 0.000 1.267 672 R HN 0.070 nan 8.270 nan 0.000 0.635 673 A N 0.765 123.650 122.820 0.109 0.000 2.644 673 A HA 0.026 4.346 4.320 0.001 0.000 0.230 673 A C 0.631 178.217 177.584 0.003 0.000 1.080 673 A CA 0.751 52.817 52.037 0.048 0.000 0.773 673 A CB 0.064 18.975 19.000 -0.148 0.000 1.007 673 A HN 0.610 nan 8.150 nan 0.000 0.512 674 C N -1.132 118.126 119.300 -0.071 0.000 4.260 674 C HA 0.382 4.842 4.460 0.001 0.000 0.363 674 C C 0.167 175.015 174.990 -0.237 0.000 1.765 674 C CA 0.280 59.215 59.018 -0.139 0.000 1.877 674 C CB -0.868 26.736 27.740 -0.226 0.000 3.089 674 C HN 1.110 nan 8.230 nan 0.000 0.652 675 C N 1.124 120.283 119.300 -0.235 0.000 2.891 675 C HA 0.759 5.220 4.460 0.001 0.000 0.342 675 C C -1.949 172.869 174.990 -0.287 0.000 1.126 675 C CA -0.520 58.397 59.018 -0.170 0.000 1.322 675 C CB -0.036 27.669 27.740 -0.057 0.000 1.763 675 C HN 0.383 nan 8.230 nan 0.000 0.491 676 F N 4.070 124.053 119.950 0.054 0.000 2.547 676 F HA 0.738 5.266 4.527 0.001 0.000 0.316 676 F C 0.458 176.288 175.800 0.051 0.000 1.121 676 F CA -0.121 57.919 58.000 0.067 0.000 0.911 676 F CB 2.129 41.130 39.000 0.003 0.000 1.179 676 F HN 0.941 nan 8.300 nan 0.000 0.443 677 A N 2.984 125.958 122.820 0.257 0.000 2.374 677 A HA 0.799 5.120 4.320 0.001 0.000 0.317 677 A C -0.305 177.380 177.584 0.168 0.000 1.094 677 A CA -0.928 51.206 52.037 0.163 0.000 0.765 677 A CB 1.072 20.138 19.000 0.110 0.000 1.268 677 A HN 0.805 nan 8.150 nan 0.000 0.438 678 R N -0.085 120.486 120.500 0.118 0.000 3.059 678 R HA -0.126 4.214 4.340 0.001 0.000 0.251 678 R C -0.889 175.491 176.300 0.133 0.000 0.886 678 R CA 0.439 56.600 56.100 0.101 0.000 0.634 678 R CB -2.320 28.039 30.300 0.099 0.000 1.282 678 R HN 0.522 nan 8.270 nan 0.000 0.487 679 V N 2.358 122.332 119.914 0.100 0.000 2.472 679 V HA 0.173 4.293 4.120 0.001 0.000 0.290 679 V C 0.898 176.891 176.094 -0.169 0.000 1.037 679 V CA -0.623 61.735 62.300 0.098 0.000 0.908 679 V CB 2.014 33.889 31.823 0.087 0.000 0.985 679 V HN 0.192 nan 8.190 nan 0.000 0.454 680 E N 6.848 126.663 120.200 -0.642 0.000 2.373 680 E HA 0.150 4.500 4.350 0.001 0.000 0.267 680 E C -1.432 174.884 176.600 -0.474 0.000 1.032 680 E CA -1.979 54.060 56.400 -0.601 0.000 0.889 680 E CB 0.814 30.058 29.700 -0.759 0.000 0.984 680 E HN 0.402 nan 8.360 nan 0.000 0.425 681 P HA -0.241 nan 4.420 nan 0.000 0.218 681 P C 1.003 178.222 177.300 -0.135 0.000 1.150 681 P CA 1.624 64.635 63.100 -0.148 0.000 0.841 681 P CB 0.247 31.888 31.700 -0.098 0.000 0.784 682 S N -2.128 113.479 115.700 -0.154 0.000 2.603 682 S HA -0.073 4.398 4.470 0.001 0.000 0.220 682 S C 1.704 176.322 174.600 0.029 0.000 0.967 682 S CA 0.056 58.221 58.200 -0.057 0.000 0.920 682 S CB -1.509 61.683 63.200 -0.013 0.000 0.773 682 S HN 0.365 nan 8.310 nan 0.000 0.529 683 H N 0.906 119.917 119.070 -0.099 0.000 2.436 683 H HA 0.163 4.720 4.556 0.001 0.000 0.294 683 H C 2.158 177.331 175.328 -0.259 0.000 1.048 683 H CA 0.797 56.733 56.048 -0.186 0.000 1.353 683 H CB 0.106 29.704 29.762 -0.273 0.000 1.414 683 H HN 0.363 nan 8.280 nan 0.000 0.536 684 K N 0.467 120.813 120.400 -0.090 0.000 1.991 684 K HA -0.167 4.154 4.320 0.001 0.000 0.212 684 K C 2.557 179.092 176.600 -0.107 0.000 1.049 684 K CA 1.443 57.650 56.287 -0.132 0.000 0.932 684 K CB -0.237 32.208 32.500 -0.091 0.000 0.717 684 K HN 0.035 nan 8.250 nan 0.000 0.441 685 S N 0.779 116.435 115.700 -0.072 0.000 2.370 685 S HA -0.187 4.283 4.470 0.001 0.000 0.226 685 S C 1.877 176.425 174.600 -0.086 0.000 1.033 685 S CA 1.551 59.711 58.200 -0.067 0.000 1.011 685 S CB -0.054 63.115 63.200 -0.053 0.000 0.852 685 S HN 0.202 nan 8.310 nan 0.000 0.457 686 K N 0.327 120.684 120.400 -0.072 0.000 2.032 686 K HA -0.036 4.285 4.320 0.001 0.000 0.209 686 K C 2.007 178.563 176.600 -0.074 0.000 1.048 686 K CA 1.759 57.994 56.287 -0.087 0.000 0.927 686 K CB -0.303 32.229 32.500 0.053 0.000 0.712 686 K HN 0.418 nan 8.250 nan 0.000 0.441 687 I N 0.429 120.941 120.570 -0.097 0.000 2.208 687 I HA -0.300 3.870 4.170 0.001 0.000 0.245 687 I C 2.113 178.242 176.117 0.021 0.000 1.097 687 I CA 1.132 62.379 61.300 -0.089 0.000 1.363 687 I CB -0.257 37.509 38.000 -0.390 0.000 1.051 687 I HN 0.002 nan 8.210 nan 0.000 0.413 688 V N 0.678 120.571 119.914 -0.036 0.000 2.427 688 V HA -0.256 3.864 4.120 0.001 0.000 0.248 688 V C 2.484 178.569 176.094 -0.015 0.000 1.051 688 V CA 1.998 64.293 62.300 -0.009 0.000 1.048 688 V CB -0.605 31.200 31.823 -0.030 0.000 0.666 688 V HN 0.430 nan 8.190 nan 0.000 0.456 689 E N 0.170 120.315 120.200 -0.092 0.000 2.038 689 E HA -0.244 4.107 4.350 0.001 0.000 0.195 689 E C 2.007 178.528 176.600 -0.131 0.000 1.000 689 E CA 1.950 58.246 56.400 -0.173 0.000 0.803 689 E CB -0.439 29.056 29.700 -0.342 0.000 0.750 689 E HN 0.650 nan 8.360 nan 0.000 0.448 690 Y N 0.177 120.493 120.300 0.027 0.000 2.352 690 Y HA -0.025 4.525 4.550 0.001 0.000 0.292 690 Y C 2.155 178.114 175.900 0.098 0.000 1.136 690 Y CA 0.879 59.009 58.100 0.050 0.000 1.227 690 Y CB -0.275 38.265 38.460 0.133 0.000 0.991 690 Y HN 0.086 nan 8.280 nan 0.000 0.545 691 L N -0.648 120.725 121.223 0.250 0.000 2.056 691 L HA -0.244 4.097 4.340 0.001 0.000 0.207 691 L C 2.305 179.272 176.870 0.162 0.000 1.078 691 L CA 1.336 56.314 54.840 0.229 0.000 0.749 691 L CB -0.469 41.681 42.059 0.153 0.000 0.901 691 L HN 0.226 nan 8.230 nan 0.000 0.433 692 Q N -0.495 119.350 119.800 0.075 0.000 2.170 692 Q HA -0.193 4.148 4.340 0.001 0.000 0.203 692 Q C 2.335 178.339 176.000 0.007 0.000 0.976 692 Q CA 1.779 57.602 55.803 0.032 0.000 0.858 692 Q CB -0.156 28.578 28.738 -0.007 0.000 0.907 692 Q HN 0.594 nan 8.270 nan 0.000 0.433 693 S N -0.334 115.341 115.700 -0.040 0.000 2.440 693 S HA -0.173 4.298 4.470 0.001 0.000 0.238 693 S C 0.991 175.440 174.600 -0.252 0.000 1.010 693 S CA 0.900 59.000 58.200 -0.167 0.000 0.972 693 S CB -0.246 62.805 63.200 -0.248 0.000 0.774 693 S HN 0.391 nan 8.310 nan 0.000 0.501 694 Y N 2.002 122.337 120.300 0.059 0.000 2.683 694 Y HA 0.312 4.862 4.550 0.001 0.000 0.297 694 Y C 0.030 175.948 175.900 0.031 0.000 1.147 694 Y CA -1.243 56.884 58.100 0.045 0.000 1.274 694 Y CB -0.480 38.011 38.460 0.051 0.000 1.143 694 Y HN 0.123 nan 8.280 nan 0.000 0.527 695 D N 1.358 121.824 120.400 0.110 0.000 2.697 695 D HA -0.251 4.390 4.640 0.001 0.000 0.235 695 D C -0.192 176.155 176.300 0.077 0.000 1.167 695 D CA 0.908 54.950 54.000 0.070 0.000 0.656 695 D CB -0.649 40.184 40.800 0.055 0.000 1.025 695 D HN 0.508 nan 8.370 nan 0.000 0.419 696 E N 0.125 120.379 120.200 0.090 0.000 2.158 696 E HA 0.311 4.662 4.350 0.001 0.000 0.271 696 E C 0.250 176.879 176.600 0.048 0.000 0.911 696 E CA -0.803 55.642 56.400 0.075 0.000 0.767 696 E CB 0.904 30.668 29.700 0.106 0.000 1.120 696 E HN 0.047 nan 8.360 nan 0.000 0.405 697 I N 4.121 124.707 120.570 0.027 0.000 2.517 697 I HA 0.121 4.292 4.170 0.001 0.000 0.285 697 I C -0.052 176.076 176.117 0.018 0.000 1.106 697 I CA 0.236 61.543 61.300 0.012 0.000 1.402 697 I CB 0.289 38.286 38.000 -0.004 0.000 1.399 697 I HN 0.487 nan 8.210 nan 0.000 0.535 698 T N 5.093 119.658 114.554 0.018 0.000 2.841 698 T HA 0.662 5.012 4.350 0.001 0.000 0.283 698 T C -0.027 174.681 174.700 0.013 0.000 1.000 698 T CA -0.680 61.434 62.100 0.023 0.000 0.977 698 T CB 2.058 70.947 68.868 0.035 0.000 0.979 698 T HN 0.668 nan 8.240 nan 0.000 0.446 699 A N 3.414 126.244 122.820 0.016 0.000 2.249 699 A HA 0.754 5.075 4.320 0.001 0.000 0.314 699 A C -0.359 177.239 177.584 0.023 0.000 1.290 699 A CA -0.697 51.346 52.037 0.010 0.000 0.893 699 A CB 0.331 19.332 19.000 0.001 0.000 1.165 699 A HN 0.801 nan 8.150 nan 0.000 0.530 700 M N 3.491 123.099 119.600 0.013 0.000 2.243 700 M HA 0.477 4.958 4.480 0.001 0.000 0.324 700 M C 0.255 176.562 176.300 0.012 0.000 1.031 700 M CA -0.037 55.272 55.300 0.014 0.000 0.949 700 M CB 1.718 34.317 32.600 -0.002 0.000 1.615 700 M HN 0.696 nan 8.290 nan 0.000 0.430 701 T N 1.788 116.357 114.554 0.024 0.000 2.889 701 T HA 0.903 5.254 4.350 0.001 0.000 0.291 701 T C 0.162 174.865 174.700 0.005 0.000 0.995 701 T CA -0.352 61.760 62.100 0.021 0.000 1.092 701 T CB 1.196 70.091 68.868 0.044 0.000 0.954 701 T HN 0.871 nan 8.240 nan 0.000 0.506 702 G N 0.526 109.325 108.800 -0.003 0.000 2.788 702 G HA2 0.606 4.567 3.960 0.001 0.000 0.293 702 G HA3 0.606 4.567 3.960 0.001 0.000 0.293 702 G C -0.836 174.058 174.900 -0.011 0.000 1.392 702 G CA -0.400 44.694 45.100 -0.011 0.000 0.810 702 G HN 0.919 nan 8.290 nan 0.000 0.508 703 D N -2.937 117.454 120.400 -0.015 0.000 2.559 703 D HA 0.316 4.957 4.640 0.001 0.000 0.431 703 D C 0.419 176.709 176.300 -0.017 0.000 1.221 703 D CA 0.707 54.697 54.000 -0.015 0.000 1.007 703 D CB -0.005 40.788 40.800 -0.011 0.000 1.539 703 D HN 0.957 nan 8.370 nan 0.000 0.407 704 G N -0.456 108.333 108.800 -0.019 0.000 2.690 704 G HA2 0.397 4.358 3.960 0.001 0.000 0.291 704 G HA3 0.397 4.358 3.960 0.001 0.000 0.291 704 G C 0.499 175.386 174.900 -0.021 0.000 1.403 704 G CA -0.284 44.804 45.100 -0.019 0.000 0.864 704 G HN 0.331 nan 8.290 nan 0.000 0.480 705 V N 0.644 120.546 119.914 -0.019 0.000 2.453 705 V HA -0.243 3.877 4.120 0.001 0.000 0.252 705 V C 2.108 178.188 176.094 -0.023 0.000 1.068 705 V CA 2.962 65.250 62.300 -0.020 0.000 1.070 705 V CB -0.896 30.916 31.823 -0.018 0.000 0.664 705 V HN 0.822 nan 8.190 nan 0.000 0.461 706 N N -0.333 118.352 118.700 -0.025 0.000 2.184 706 N HA -0.200 4.541 4.740 0.001 0.000 0.190 706 N C 1.046 176.535 175.510 -0.034 0.000 1.011 706 N CA 1.707 54.739 53.050 -0.031 0.000 0.867 706 N CB -0.052 38.416 38.487 -0.032 0.000 0.993 706 N HN 0.671 nan 8.380 nan 0.000 0.433 707 D N -0.430 119.952 120.400 -0.030 0.000 2.379 707 D HA 0.104 4.745 4.640 0.001 0.000 0.208 707 D C 1.683 177.966 176.300 -0.028 0.000 1.065 707 D CA 0.095 54.077 54.000 -0.031 0.000 0.848 707 D CB -0.116 40.667 40.800 -0.028 0.000 0.949 707 D HN 0.218 nan 8.370 nan 0.000 0.509 708 A N 2.346 125.150 122.820 -0.025 0.000 1.909 708 A HA -0.213 4.108 4.320 0.001 0.000 0.221 708 A C -0.208 177.362 177.584 -0.024 0.000 1.223 708 A CA 1.841 53.864 52.037 -0.023 0.000 0.658 708 A CB -1.627 17.360 19.000 -0.021 0.000 0.831 708 A HN 0.211 nan 8.150 nan 0.000 0.462 709 P HA -0.080 nan 4.420 nan 0.000 0.213 709 P C 1.891 179.172 177.300 -0.031 0.000 1.170 709 P CA 1.961 65.044 63.100 -0.028 0.000 0.893 709 P CB -0.248 31.433 31.700 -0.030 0.000 0.784 710 A N -0.607 122.192 122.820 -0.034 0.000 1.917 710 A HA -0.220 4.100 4.320 0.001 0.000 0.219 710 A C 2.283 179.850 177.584 -0.029 0.000 1.182 710 A CA 1.719 53.734 52.037 -0.037 0.000 0.633 710 A CB -1.818 17.156 19.000 -0.043 0.000 0.819 710 A HN 0.100 nan 8.150 nan 0.000 0.448 711 L N -1.067 120.141 121.223 -0.025 0.000 2.017 711 L HA -0.226 4.115 4.340 0.001 0.000 0.208 711 L C 2.693 179.552 176.870 -0.019 0.000 1.073 711 L CA 1.939 56.766 54.840 -0.021 0.000 0.745 711 L CB -0.381 41.667 42.059 -0.020 0.000 0.894 711 L HN 0.377 nan 8.230 nan 0.000 0.432 712 K N -0.020 120.367 120.400 -0.021 0.000 2.026 712 K HA -0.249 4.071 4.320 0.001 0.000 0.208 712 K C 2.164 178.752 176.600 -0.020 0.000 1.048 712 K CA 1.547 57.823 56.287 -0.019 0.000 0.929 712 K CB -0.126 32.363 32.500 -0.019 0.000 0.713 712 K HN 0.103 nan 8.250 nan 0.000 0.439 713 K N 0.980 121.365 120.400 -0.025 0.000 2.103 713 K HA -0.096 4.224 4.320 0.001 0.000 0.207 713 K C 0.501 177.088 176.600 -0.022 0.000 1.048 713 K CA 0.880 57.151 56.287 -0.027 0.000 0.930 713 K CB -0.103 32.376 32.500 -0.036 0.000 0.716 713 K HN 0.158 nan 8.250 nan 0.000 0.444 714 A N 1.099 123.907 122.820 -0.019 0.000 2.448 714 A HA -0.008 4.313 4.320 0.001 0.000 0.239 714 A C 0.715 178.293 177.584 -0.010 0.000 1.080 714 A CA -0.101 51.929 52.037 -0.012 0.000 0.779 714 A CB 0.262 19.256 19.000 -0.009 0.000 1.026 714 A HN 0.367 nan 8.150 nan 0.000 0.499 715 E N -0.111 120.086 120.200 -0.006 0.000 2.077 715 E HA -0.036 4.315 4.350 0.001 0.000 0.193 715 E C -0.002 176.592 176.600 -0.010 0.000 0.989 715 E CA 1.429 57.825 56.400 -0.007 0.000 0.800 715 E CB -0.116 29.581 29.700 -0.005 0.000 0.746 715 E HN 0.594 nan 8.360 nan 0.000 0.452 716 I N 0.142 120.707 120.570 -0.009 0.000 2.468 716 I HA 0.368 4.538 4.170 0.001 0.000 0.285 716 I C 0.179 176.290 176.117 -0.011 0.000 1.039 716 I CA -1.004 60.288 61.300 -0.012 0.000 1.074 716 I CB 2.060 40.050 38.000 -0.016 0.000 1.228 716 I HN -0.081 nan 8.210 nan 0.000 0.436 717 G N 6.975 115.767 108.800 -0.013 0.000 2.372 717 G HA2 0.725 4.685 3.960 0.001 0.000 0.283 717 G HA3 0.725 4.685 3.960 0.001 0.000 0.283 717 G C -0.600 174.291 174.900 -0.015 0.000 1.177 717 G CA -0.350 44.742 45.100 -0.013 0.000 0.842 717 G HN 0.545 nan 8.290 nan 0.000 0.503 718 I N 1.751 122.313 120.570 -0.013 0.000 2.468 718 I HA 0.419 4.589 4.170 0.001 0.000 0.284 718 I C 0.344 176.452 176.117 -0.015 0.000 1.038 718 I CA -0.731 60.559 61.300 -0.016 0.000 1.083 718 I CB 1.906 39.898 38.000 -0.013 0.000 1.223 718 I HN 0.563 nan 8.210 nan 0.000 0.443 719 A N 7.505 130.311 122.820 -0.023 0.000 2.303 719 A HA 0.785 5.105 4.320 0.001 0.000 0.317 719 A C -0.052 177.518 177.584 -0.023 0.000 1.149 719 A CA -0.623 51.400 52.037 -0.023 0.000 0.822 719 A CB 0.819 19.801 19.000 -0.031 0.000 1.131 719 A HN 0.596 nan 8.150 nan 0.000 0.493 720 M N 2.251 121.840 119.600 -0.018 0.000 2.200 720 M HA 0.150 4.631 4.480 0.001 0.000 0.355 720 M C 1.578 177.863 176.300 -0.025 0.000 1.283 720 M CA -0.149 55.141 55.300 -0.017 0.000 1.124 720 M CB 0.317 32.911 32.600 -0.011 0.000 1.625 720 M HN 0.900 nan 8.290 nan 0.000 0.463 721 G N 1.598 110.381 108.800 -0.028 0.000 2.470 721 G HA2 -0.158 3.803 3.960 0.001 0.000 0.220 721 G HA3 -0.158 3.803 3.960 0.001 0.000 0.220 721 G C 1.217 176.099 174.900 -0.031 0.000 1.121 721 G CA 1.081 46.160 45.100 -0.036 0.000 0.766 721 G HN 0.762 nan 8.290 nan 0.000 0.553 722 S N -0.040 115.645 115.700 -0.024 0.000 2.575 722 S HA 0.386 4.857 4.470 0.001 0.000 0.215 722 S C 1.436 176.024 174.600 -0.020 0.000 0.966 722 S CA 0.187 58.374 58.200 -0.021 0.000 0.911 722 S CB 0.271 63.461 63.200 -0.017 0.000 0.780 722 S HN 0.453 nan 8.310 nan 0.000 0.514 723 G N 1.900 110.687 108.800 -0.021 0.000 2.525 723 G HA2 0.423 4.384 3.960 0.001 0.000 0.276 723 G HA3 0.423 4.384 3.960 0.001 0.000 0.276 723 G C 0.022 174.909 174.900 -0.022 0.000 1.388 723 G CA -0.089 44.999 45.100 -0.020 0.000 1.050 723 G HN 0.449 nan 8.290 nan 0.000 0.520 724 T N -2.318 112.224 114.554 -0.021 0.000 2.913 724 T HA 0.491 4.842 4.350 0.001 0.000 0.287 724 T C 1.525 176.212 174.700 -0.023 0.000 1.008 724 T CA 0.127 62.215 62.100 -0.020 0.000 1.067 724 T CB 1.623 70.481 68.868 -0.018 0.000 0.996 724 T HN 0.770 nan 8.240 nan 0.000 0.513 725 A N 1.471 124.278 122.820 -0.022 0.000 1.940 725 A HA -0.041 4.280 4.320 0.001 0.000 0.219 725 A C 2.353 179.923 177.584 -0.022 0.000 1.176 725 A CA 1.624 53.647 52.037 -0.023 0.000 0.631 725 A CB -1.155 17.834 19.000 -0.020 0.000 0.814 725 A HN 0.830 nan 8.150 nan 0.000 0.446 726 V N -0.083 119.820 119.914 -0.019 0.000 2.255 726 V HA -0.210 3.910 4.120 0.001 0.000 0.247 726 V C 2.728 178.810 176.094 -0.019 0.000 1.051 726 V CA 2.623 64.913 62.300 -0.017 0.000 1.018 726 V CB -0.921 30.892 31.823 -0.016 0.000 0.641 726 V HN 0.609 nan 8.190 nan 0.000 0.445 727 A N -0.665 122.143 122.820 -0.021 0.000 1.972 727 A HA -0.227 4.094 4.320 0.001 0.000 0.219 727 A C 2.234 179.803 177.584 -0.025 0.000 1.169 727 A CA 2.041 54.064 52.037 -0.022 0.000 0.635 727 A CB -0.541 18.446 19.000 -0.021 0.000 0.810 727 A HN 0.664 nan 8.150 nan 0.000 0.446 728 K N -0.698 119.685 120.400 -0.030 0.000 2.103 728 K HA -0.091 4.229 4.320 0.001 0.000 0.204 728 K C 2.079 178.658 176.600 -0.036 0.000 1.052 728 K CA 1.646 57.910 56.287 -0.039 0.000 0.945 728 K CB -0.298 32.173 32.500 -0.049 0.000 0.722 728 K HN 0.700 nan 8.250 nan 0.000 0.443 729 T N -1.814 112.723 114.554 -0.027 0.000 3.118 729 T HA 0.127 4.478 4.350 0.001 0.000 0.260 729 T C 1.765 176.456 174.700 -0.015 0.000 1.139 729 T CA 0.647 62.735 62.100 -0.019 0.000 1.085 729 T CB 0.200 69.060 68.868 -0.013 0.000 0.934 729 T HN 0.109 nan 8.240 nan 0.000 0.518 730 A N 1.585 124.394 122.820 -0.018 0.000 2.044 730 A HA 0.407 4.728 4.320 0.001 0.000 0.213 730 A C 1.643 179.218 177.584 -0.016 0.000 1.169 730 A CA 0.366 52.394 52.037 -0.016 0.000 0.724 730 A CB -0.254 18.735 19.000 -0.018 0.000 0.840 730 A HN 0.669 nan 8.150 nan 0.000 0.463 731 S N -0.674 115.015 115.700 -0.019 0.000 2.672 731 S HA 0.478 4.949 4.470 0.001 0.000 0.276 731 S C 0.086 174.676 174.600 -0.017 0.000 1.207 731 S CA -0.292 57.897 58.200 -0.019 0.000 1.002 731 S CB 1.254 64.439 63.200 -0.024 0.000 0.998 731 S HN 0.150 nan 8.310 nan 0.000 0.542 732 E N -0.012 120.179 120.200 -0.015 0.000 2.474 732 E HA 0.377 4.727 4.350 0.001 0.000 0.195 732 E C 0.027 176.620 176.600 -0.013 0.000 1.039 732 E CA 0.102 56.497 56.400 -0.008 0.000 0.881 732 E CB 0.307 30.003 29.700 -0.007 0.000 0.970 732 E HN 0.687 nan 8.360 nan 0.000 0.486 733 M N -0.348 119.237 119.600 -0.026 0.000 2.562 733 M HA 0.387 4.867 4.480 0.001 0.000 0.281 733 M C -1.918 174.356 176.300 -0.045 0.000 1.195 733 M CA -0.732 54.547 55.300 -0.035 0.000 0.888 733 M CB 1.609 34.190 32.600 -0.031 0.000 1.731 733 M HN -0.252 nan 8.290 nan 0.000 0.493 734 V N 3.764 123.644 119.914 -0.057 0.000 2.769 734 V HA 0.553 4.674 4.120 0.001 0.000 0.312 734 V C -0.707 175.357 176.094 -0.051 0.000 1.061 734 V CA -0.790 61.475 62.300 -0.058 0.000 0.931 734 V CB 2.064 33.840 31.823 -0.079 0.000 1.010 734 V HN 0.784 nan 8.190 nan 0.000 0.433 735 L N 3.059 124.257 121.223 -0.041 0.000 2.265 735 L HA 0.462 4.802 4.340 0.001 0.000 0.289 735 L C 1.373 178.223 176.870 -0.034 0.000 1.033 735 L CA -0.369 54.450 54.840 -0.035 0.000 0.814 735 L CB 1.484 43.530 42.059 -0.022 0.000 1.203 735 L HN 0.870 nan 8.230 nan 0.000 0.423 736 A N 2.502 125.301 122.820 -0.036 0.000 1.930 736 A HA -0.161 4.160 4.320 0.001 0.000 0.217 736 A C 1.409 178.977 177.584 -0.026 0.000 1.175 736 A CA 1.732 53.748 52.037 -0.035 0.000 0.627 736 A CB -0.259 18.720 19.000 -0.034 0.000 0.815 736 A HN 0.866 nan 8.150 nan 0.000 0.443 737 D N -2.053 118.335 120.400 -0.020 0.000 2.392 737 D HA 0.114 4.755 4.640 0.001 0.000 0.206 737 D C -0.222 176.073 176.300 -0.007 0.000 1.046 737 D CA 0.570 54.562 54.000 -0.013 0.000 0.865 737 D CB -0.013 40.782 40.800 -0.009 0.000 0.969 737 D HN 0.322 nan 8.370 nan 0.000 0.509 738 D N -0.509 119.888 120.400 -0.005 0.000 3.099 738 D HA -0.167 4.474 4.640 0.001 0.000 0.213 738 D C -0.443 175.874 176.300 0.028 0.000 1.121 738 D CA 0.449 54.453 54.000 0.007 0.000 0.951 738 D CB -1.779 39.023 40.800 0.003 0.000 1.102 738 D HN 0.325 nan 8.370 nan 0.000 0.423 739 N N 0.147 118.863 118.700 0.026 0.000 2.499 739 N HA 0.151 4.891 4.740 0.001 0.000 0.281 739 N C 0.700 176.260 175.510 0.083 0.000 1.098 739 N CA -0.294 52.790 53.050 0.055 0.000 0.979 739 N CB 0.630 39.136 38.487 0.031 0.000 1.121 739 N HN -0.013 nan 8.380 nan 0.000 0.466 740 F N 3.470 123.404 119.950 -0.026 0.000 2.134 740 F HA -0.108 4.420 4.527 0.001 0.000 0.299 740 F C 2.031 177.816 175.800 -0.025 0.000 1.097 740 F CA 1.281 59.265 58.000 -0.026 0.000 1.264 740 F CB -0.196 38.787 39.000 -0.029 0.000 1.001 740 F HN 0.492 nan 8.300 nan 0.000 0.479 741 S N -0.065 115.628 115.700 -0.012 0.000 2.440 741 S HA -0.208 4.263 4.470 0.001 0.000 0.240 741 S C 1.825 176.308 174.600 -0.195 0.000 1.014 741 S CA 1.522 59.646 58.200 -0.127 0.000 0.980 741 S CB -0.713 62.492 63.200 0.008 0.000 0.775 741 S HN 0.532 nan 8.310 nan 0.000 0.499 742 T N 2.703 117.162 114.554 -0.158 0.000 2.590 742 T HA 0.010 4.360 4.350 0.001 0.000 0.257 742 T C 1.755 176.340 174.700 -0.193 0.000 1.080 742 T CA 1.292 63.312 62.100 -0.133 0.000 1.180 742 T CB -0.559 68.259 68.868 -0.084 0.000 0.865 742 T HN 0.294 nan 8.240 nan 0.000 0.403 743 I N 1.400 121.831 120.570 -0.231 0.000 2.178 743 I HA -0.303 3.867 4.170 0.001 0.000 0.243 743 I C 2.485 178.445 176.117 -0.261 0.000 1.019 743 I CA 1.466 62.623 61.300 -0.238 0.000 1.294 743 I CB -1.011 36.812 38.000 -0.295 0.000 0.996 743 I HN 0.106 nan 8.210 nan 0.000 0.415 744 V N 0.747 120.423 119.914 -0.397 0.000 2.324 744 V HA -0.349 3.772 4.120 0.001 0.000 0.250 744 V C 2.628 178.619 176.094 -0.171 0.000 1.060 744 V CA 2.172 64.293 62.300 -0.297 0.000 1.042 744 V CB -1.453 30.165 31.823 -0.342 0.000 0.650 744 V HN 0.586 nan 8.190 nan 0.000 0.450 745 A N 0.128 122.858 122.820 -0.151 0.000 1.854 745 A HA 0.026 4.347 4.320 0.001 0.000 0.214 745 A C 2.499 180.034 177.584 -0.083 0.000 1.192 745 A CA 1.959 53.939 52.037 -0.095 0.000 0.611 745 A CB -1.038 17.915 19.000 -0.078 0.000 0.832 745 A HN 0.597 nan 8.150 nan 0.000 0.442 746 A N -0.261 122.504 122.820 -0.091 0.000 1.881 746 A HA -0.181 4.140 4.320 0.001 0.000 0.219 746 A C 2.241 179.784 177.584 -0.069 0.000 1.215 746 A CA 2.405 54.398 52.037 -0.074 0.000 0.648 746 A CB -1.405 17.548 19.000 -0.079 0.000 0.832 746 A HN 0.490 nan 8.150 nan 0.000 0.455 747 V N -0.162 119.701 119.914 -0.084 0.000 2.217 747 V HA -0.387 3.734 4.120 0.001 0.000 0.248 747 V C 2.536 178.596 176.094 -0.056 0.000 1.050 747 V CA 2.722 64.979 62.300 -0.072 0.000 1.007 747 V CB -0.918 30.855 31.823 -0.084 0.000 0.639 747 V HN 0.830 nan 8.190 nan 0.000 0.452 748 E N -0.648 119.518 120.200 -0.057 0.000 2.197 748 E HA -0.324 4.026 4.350 0.001 0.000 0.205 748 E C 2.168 178.751 176.600 -0.030 0.000 1.029 748 E CA 1.875 58.251 56.400 -0.041 0.000 0.828 748 E CB -0.100 29.575 29.700 -0.042 0.000 0.737 748 E HN 0.579 nan 8.360 nan 0.000 0.464 749 E N -0.522 119.657 120.200 -0.036 0.000 2.077 749 E HA -0.128 4.223 4.350 0.001 0.000 0.193 749 E C 2.033 178.620 176.600 -0.023 0.000 0.989 749 E CA 1.081 57.463 56.400 -0.030 0.000 0.800 749 E CB -0.647 29.031 29.700 -0.037 0.000 0.746 749 E HN 0.464 nan 8.360 nan 0.000 0.452 750 G N 1.301 110.086 108.800 -0.026 0.000 2.459 750 G HA2 -0.306 3.655 3.960 0.001 0.000 0.217 750 G HA3 -0.306 3.655 3.960 0.001 0.000 0.217 750 G C 1.666 176.570 174.900 0.006 0.000 1.183 750 G CA 0.872 45.962 45.100 -0.017 0.000 0.776 750 G HN 0.216 nan 8.290 nan 0.000 0.552 751 R N 0.500 120.997 120.500 -0.006 0.000 2.154 751 R HA -0.121 4.220 4.340 0.001 0.000 0.248 751 R C 2.895 179.236 176.300 0.068 0.000 1.155 751 R CA 1.267 57.375 56.100 0.014 0.000 0.979 751 R CB -0.306 29.988 30.300 -0.011 0.000 0.869 751 R HN 0.397 nan 8.270 nan 0.000 0.452 752 A N 0.847 123.687 122.820 0.034 0.000 1.898 752 A HA -0.045 4.276 4.320 0.001 0.000 0.214 752 A C 1.993 179.595 177.584 0.030 0.000 1.183 752 A CA 0.842 52.896 52.037 0.029 0.000 0.622 752 A CB -0.239 18.760 19.000 -0.001 0.000 0.824 752 A HN 0.187 nan 8.150 nan 0.000 0.444 753 I N -1.236 119.345 120.570 0.020 0.000 3.241 753 I HA -0.188 3.983 4.170 0.001 0.000 0.280 753 I C 2.107 178.252 176.117 0.045 0.000 1.320 753 I CA 0.873 62.172 61.300 -0.001 0.000 1.413 753 I CB -0.268 37.719 38.000 -0.022 0.000 1.060 753 I HN 0.546 nan 8.210 nan 0.000 0.500 754 Y N 1.968 122.244 120.300 -0.041 0.000 2.205 754 Y HA -0.093 4.458 4.550 0.001 0.000 0.292 754 Y C 2.186 178.077 175.900 -0.015 0.000 1.119 754 Y CA 1.346 59.427 58.100 -0.031 0.000 1.117 754 Y CB -0.325 38.121 38.460 -0.023 0.000 1.037 754 Y HN 0.067 nan 8.280 nan 0.000 0.510 755 N N 0.903 119.628 118.700 0.043 0.000 2.061 755 N HA -0.232 4.509 4.740 0.001 0.000 0.193 755 N C 1.461 176.924 175.510 -0.079 0.000 1.030 755 N CA 1.874 54.897 53.050 -0.044 0.000 0.856 755 N CB -0.688 37.821 38.487 0.037 0.000 1.023 755 N HN 0.408 nan 8.380 nan 0.000 0.424 756 N N 0.079 118.747 118.700 -0.052 0.000 2.037 756 N HA -0.156 4.585 4.740 0.001 0.000 0.196 756 N C 1.664 177.142 175.510 -0.053 0.000 1.034 756 N CA 1.284 54.303 53.050 -0.051 0.000 0.861 756 N CB -0.165 38.278 38.487 -0.074 0.000 1.039 756 N HN 0.242 nan 8.380 nan 0.000 0.427 757 M N 0.229 119.762 119.600 -0.112 0.000 2.213 757 M HA -0.116 4.364 4.480 0.001 0.000 0.263 757 M C 0.959 177.195 176.300 -0.106 0.000 1.062 757 M CA 1.376 56.610 55.300 -0.110 0.000 1.105 757 M CB 0.119 32.615 32.600 -0.175 0.000 1.385 757 M HN -0.006 nan 8.290 nan 0.000 0.417 758 K N 0.396 120.644 120.400 -0.253 0.000 2.439 758 K HA -0.090 4.231 4.320 0.001 0.000 0.197 758 K C 1.667 178.233 176.600 -0.058 0.000 1.041 758 K CA 1.014 57.159 56.287 -0.236 0.000 0.970 758 K CB -0.041 32.228 32.500 -0.385 0.000 0.773 758 K HN 0.638 nan 8.250 nan 0.000 0.479 759 Q N -1.096 118.696 119.800 -0.013 0.000 2.287 759 Q HA 0.050 4.391 4.340 0.001 0.000 0.201 759 Q C 1.717 177.751 176.000 0.057 0.000 0.946 759 Q CA 0.267 56.078 55.803 0.013 0.000 0.868 759 Q CB -0.256 28.488 28.738 0.011 0.000 0.967 759 Q HN 0.203 nan 8.270 nan 0.000 0.516 760 F N 1.326 121.258 119.950 -0.029 0.000 2.411 760 F HA -0.144 4.383 4.527 0.001 0.000 0.299 760 F C 1.468 177.303 175.800 0.058 0.000 1.077 760 F CA 0.986 59.000 58.000 0.024 0.000 1.439 760 F CB 0.119 39.116 39.000 -0.006 0.000 1.085 760 F HN -0.006 nan 8.300 nan 0.000 0.564 761 I N -0.293 120.289 120.570 0.020 0.000 2.512 761 I HA -0.114 4.057 4.170 0.001 0.000 0.247 761 I C 2.693 178.715 176.117 -0.160 0.000 1.094 761 I CA 0.356 61.643 61.300 -0.020 0.000 1.427 761 I CB -0.431 37.630 38.000 0.102 0.000 1.149 761 I HN -0.030 nan 8.210 nan 0.000 0.438 762 R N 0.558 120.937 120.500 -0.202 0.000 2.117 762 R HA -0.274 4.067 4.340 0.001 0.000 0.243 762 R C 2.312 178.331 176.300 -0.468 0.000 1.143 762 R CA 2.047 57.801 56.100 -0.577 0.000 0.968 762 R CB -0.558 29.547 30.300 -0.326 0.000 0.863 762 R HN 0.372 nan 8.270 nan 0.000 0.444 763 Y N 0.844 120.930 120.300 -0.357 0.000 2.109 763 Y HA -0.167 4.383 4.550 0.001 0.000 0.281 763 Y C 1.986 177.696 175.900 -0.317 0.000 1.113 763 Y CA 1.295 59.213 58.100 -0.302 0.000 1.098 763 Y CB -0.832 37.487 38.460 -0.236 0.000 0.996 763 Y HN 0.051 nan 8.280 nan 0.000 0.485 764 L N 0.368 121.307 121.223 -0.474 0.000 2.450 764 L HA -0.209 4.131 4.340 0.001 0.000 0.225 764 L C 1.552 178.200 176.870 -0.371 0.000 1.145 764 L CA 1.193 55.711 54.840 -0.538 0.000 0.801 764 L CB -0.819 40.901 42.059 -0.566 0.000 0.924 764 L HN 0.438 nan 8.230 nan 0.000 0.447 765 I N -2.307 118.063 120.570 -0.334 0.000 3.649 765 I HA -0.050 4.121 4.170 0.001 0.000 0.234 765 I C 2.397 178.345 176.117 -0.282 0.000 1.053 765 I CA 1.252 62.429 61.300 -0.205 0.000 1.538 765 I CB -1.124 36.857 38.000 -0.033 0.000 1.445 765 I HN 0.326 nan 8.210 nan 0.000 0.464 766 S N 2.205 117.652 115.700 -0.422 0.000 2.460 766 S HA -0.290 4.180 4.470 0.001 0.000 0.241 766 S C 2.183 176.620 174.600 -0.272 0.000 1.051 766 S CA 2.882 60.875 58.200 -0.344 0.000 1.223 766 S CB -1.446 61.500 63.200 -0.424 0.000 1.160 766 S HN 0.518 nan 8.310 nan 0.000 0.424 767 S N 2.543 118.057 115.700 -0.310 0.000 2.402 767 S HA -0.207 4.264 4.470 0.001 0.000 0.233 767 S C 1.726 176.168 174.600 -0.262 0.000 1.030 767 S CA 1.580 59.624 58.200 -0.260 0.000 1.003 767 S CB -1.155 61.868 63.200 -0.295 0.000 0.813 767 S HN 0.699 nan 8.310 nan 0.000 0.477 768 N N 0.770 119.276 118.700 -0.324 0.000 2.459 768 N HA 0.034 4.775 4.740 0.001 0.000 0.181 768 N C 1.452 176.865 175.510 -0.162 0.000 1.046 768 N CA 0.747 53.649 53.050 -0.246 0.000 0.904 768 N CB -0.255 38.070 38.487 -0.269 0.000 0.964 768 N HN 0.307 nan 8.380 nan 0.000 0.444 769 V N -0.573 119.247 119.914 -0.157 0.000 2.591 769 V HA 0.105 4.225 4.120 0.001 0.000 0.249 769 V C 1.964 177.996 176.094 -0.103 0.000 1.053 769 V CA 1.612 63.840 62.300 -0.120 0.000 1.068 769 V CB -0.788 30.962 31.823 -0.121 0.000 0.689 769 V HN 0.420 nan 8.190 nan 0.000 0.462 770 G N -0.614 108.125 108.800 -0.102 0.000 2.479 770 G HA2 -0.238 3.723 3.960 0.001 0.000 0.220 770 G HA3 -0.238 3.723 3.960 0.001 0.000 0.220 770 G C 1.298 176.168 174.900 -0.050 0.000 1.115 770 G CA 0.940 45.998 45.100 -0.070 0.000 0.757 770 G HN 0.617 nan 8.290 nan 0.000 0.560 771 E N -0.088 120.077 120.200 -0.059 0.000 2.038 771 E HA -0.116 4.235 4.350 0.001 0.000 0.195 771 E C 2.716 179.316 176.600 -0.000 0.000 1.000 771 E CA 1.221 57.602 56.400 -0.032 0.000 0.803 771 E CB -0.190 29.481 29.700 -0.048 0.000 0.750 771 E HN 0.320 nan 8.360 nan 0.000 0.448 772 V N 1.075 120.978 119.914 -0.019 0.000 2.270 772 V HA -0.240 3.881 4.120 0.001 0.000 0.245 772 V C 2.422 178.539 176.094 0.039 0.000 1.043 772 V CA 1.332 63.634 62.300 0.004 0.000 1.014 772 V CB -0.493 31.276 31.823 -0.091 0.000 0.645 772 V HN 0.128 nan 8.190 nan 0.000 0.447 773 V N -0.148 119.753 119.914 -0.021 0.000 2.250 773 V HA -0.422 3.699 4.120 0.001 0.000 0.253 773 V C 2.647 178.793 176.094 0.087 0.000 1.065 773 V CA 2.562 64.868 62.300 0.010 0.000 1.039 773 V CB -1.001 30.806 31.823 -0.026 0.000 0.647 773 V HN 0.842 nan 8.190 nan 0.000 0.446 774 C N 0.820 120.152 119.300 0.054 0.000 2.396 774 C HA -0.215 4.246 4.460 0.001 0.000 0.281 774 C C 2.573 177.631 174.990 0.113 0.000 1.208 774 C CA 1.597 60.651 59.018 0.061 0.000 1.754 774 C CB -1.220 26.540 27.740 0.033 0.000 2.044 774 C HN 0.566 nan 8.230 nan 0.000 0.449 775 I N 0.265 120.917 120.570 0.136 0.000 2.479 775 I HA -0.154 4.017 4.170 0.001 0.000 0.258 775 I C 2.258 178.496 176.117 0.202 0.000 1.165 775 I CA 1.825 63.223 61.300 0.164 0.000 1.422 775 I CB -1.800 36.311 38.000 0.185 0.000 1.087 775 I HN 0.357 nan 8.210 nan 0.000 0.441 776 F N 0.257 120.224 119.950 0.027 0.000 2.188 776 F HA 0.068 4.595 4.527 0.001 0.000 0.289 776 F C 2.321 178.133 175.800 0.020 0.000 1.082 776 F CA 0.621 58.636 58.000 0.025 0.000 1.282 776 F CB -0.623 38.385 39.000 0.014 0.000 1.060 776 F HN -0.162 nan 8.300 nan 0.000 0.493 777 L N 0.339 121.672 121.223 0.183 0.000 2.447 777 L HA -0.210 4.131 4.340 0.001 0.000 0.225 777 L C 2.246 179.144 176.870 0.046 0.000 1.148 777 L CA 1.641 56.534 54.840 0.088 0.000 0.808 777 L CB -0.613 41.481 42.059 0.059 0.000 0.928 777 L HN 0.393 nan 8.230 nan 0.000 0.448 778 T N -4.274 110.312 114.554 0.053 0.000 2.781 778 T HA -0.005 4.346 4.350 0.001 0.000 0.252 778 T C 1.881 176.602 174.700 0.036 0.000 1.039 778 T CA 0.584 62.715 62.100 0.053 0.000 1.147 778 T CB -0.366 68.548 68.868 0.077 0.000 0.865 778 T HN 0.256 nan 8.240 nan 0.000 0.423 779 A N 1.711 124.530 122.820 -0.002 0.000 2.019 779 A HA 0.387 4.708 4.320 0.001 0.000 0.219 779 A C 2.674 180.212 177.584 -0.077 0.000 1.164 779 A CA 1.691 53.703 52.037 -0.040 0.000 0.644 779 A CB -1.273 17.634 19.000 -0.156 0.000 0.805 779 A HN 0.762 nan 8.150 nan 0.000 0.449 780 A N -0.112 122.669 122.820 -0.066 0.000 1.832 780 A HA 0.045 4.366 4.320 0.001 0.000 0.214 780 A C 1.757 179.316 177.584 -0.042 0.000 1.200 780 A CA 1.305 53.316 52.037 -0.044 0.000 0.610 780 A CB -0.557 18.451 19.000 0.012 0.000 0.842 780 A HN 0.430 nan 8.150 nan 0.000 0.444 781 L N -0.483 120.723 121.223 -0.030 0.000 2.682 781 L HA 0.182 4.523 4.340 0.001 0.000 0.240 781 L C 1.718 178.546 176.870 -0.070 0.000 1.178 781 L CA 0.441 55.250 54.840 -0.051 0.000 0.970 781 L CB -0.571 41.463 42.059 -0.042 0.000 1.179 781 L HN 0.725 nan 8.230 nan 0.000 0.435 782 G N -0.551 108.212 108.800 -0.062 0.000 2.328 782 G HA2 -0.296 3.665 3.960 0.001 0.000 0.256 782 G HA3 -0.296 3.665 3.960 0.001 0.000 0.256 782 G C 0.686 175.620 174.900 0.057 0.000 1.014 782 G CA -0.049 45.004 45.100 -0.079 0.000 0.620 782 G HN 0.174 nan 8.290 nan 0.000 0.530 783 L N 1.278 122.552 121.223 0.086 0.000 2.496 783 L HA 0.060 4.401 4.340 0.001 0.000 0.305 783 L C -1.472 175.573 176.870 0.291 0.000 1.305 783 L CA 0.506 55.438 54.840 0.152 0.000 0.830 783 L CB -0.565 41.538 42.059 0.074 0.000 1.067 783 L HN 0.112 nan 8.230 nan 0.000 0.569 784 P HA 0.163 nan 4.420 nan 0.000 0.284 784 P C -0.802 176.469 177.300 -0.049 0.000 1.253 784 P CA -0.639 62.238 63.100 -0.372 0.000 0.800 784 P CB 0.553 31.799 31.700 -0.756 0.000 0.961 785 E N 1.400 121.615 120.200 0.026 0.000 2.653 785 E HA -0.008 4.343 4.350 0.001 0.000 0.264 785 E C 0.464 177.102 176.600 0.064 0.000 0.949 785 E CA 0.379 56.837 56.400 0.098 0.000 0.953 785 E CB 0.224 30.017 29.700 0.155 0.000 0.925 785 E HN 0.448 nan 8.360 nan 0.000 0.475 786 A N 4.610 127.475 122.820 0.075 0.000 2.470 786 A HA 0.290 4.611 4.320 0.001 0.000 0.251 786 A C 0.126 177.744 177.584 0.056 0.000 1.245 786 A CA -0.034 52.039 52.037 0.059 0.000 0.932 786 A CB 0.341 19.379 19.000 0.064 0.000 1.037 786 A HN 0.450 nan 8.150 nan 0.000 0.522 787 L N -0.423 120.840 121.223 0.067 0.000 2.671 787 L HA 0.646 4.987 4.340 0.001 0.000 0.259 787 L C -0.820 176.089 176.870 0.065 0.000 1.021 787 L CA -0.913 53.962 54.840 0.060 0.000 0.871 787 L CB 2.318 44.410 42.059 0.055 0.000 1.472 787 L HN 0.397 nan 8.230 nan 0.000 0.410 788 I N -2.924 117.672 120.570 0.044 0.000 3.458 788 I HA 0.593 4.764 4.170 0.001 0.000 0.316 788 I C -2.537 173.569 176.117 -0.018 0.000 1.202 788 I CA -2.061 59.266 61.300 0.045 0.000 0.929 788 I CB 1.693 39.776 38.000 0.138 0.000 1.340 788 I HN 0.259 nan 8.210 nan 0.000 0.481 789 P HA -0.214 nan 4.420 nan 0.000 0.212 789 P C 1.730 179.001 177.300 -0.047 0.000 0.907 789 P CA 2.444 65.518 63.100 -0.044 0.000 0.993 789 P CB -0.236 31.465 31.700 0.001 0.000 0.646 790 V N -2.298 117.577 119.914 -0.065 0.000 2.944 790 V HA -0.283 3.838 4.120 0.001 0.000 0.265 790 V C 1.974 177.943 176.094 -0.208 0.000 1.125 790 V CA 1.703 63.921 62.300 -0.137 0.000 1.145 790 V CB -1.561 30.139 31.823 -0.205 0.000 0.725 790 V HN 0.179 nan 8.190 nan 0.000 0.510 791 Q N -0.049 119.671 119.800 -0.134 0.000 2.062 791 Q HA 0.026 4.366 4.340 0.001 0.000 0.196 791 Q C 2.307 178.348 176.000 0.067 0.000 0.967 791 Q CA 1.851 57.615 55.803 -0.066 0.000 0.832 791 Q CB -0.175 28.556 28.738 -0.012 0.000 0.899 791 Q HN 0.651 nan 8.270 nan 0.000 0.442 792 L N 0.679 121.921 121.223 0.032 0.000 1.989 792 L HA -0.257 4.083 4.340 0.001 0.000 0.211 792 L C 2.404 179.299 176.870 0.041 0.000 1.071 792 L CA 1.173 56.035 54.840 0.036 0.000 0.749 792 L CB -0.667 41.391 42.059 -0.001 0.000 0.890 792 L HN 0.262 nan 8.230 nan 0.000 0.431 793 L N -1.168 120.069 121.223 0.023 0.000 2.103 793 L HA -0.327 4.013 4.340 0.001 0.000 0.215 793 L C 2.471 179.389 176.870 0.081 0.000 1.080 793 L CA 1.711 56.569 54.840 0.030 0.000 0.764 793 L CB -0.766 41.307 42.059 0.024 0.000 0.890 793 L HN 0.588 nan 8.230 nan 0.000 0.435 794 W N 0.818 122.107 121.300 -0.019 0.000 2.378 794 W HA -0.171 4.489 4.660 0.001 0.000 0.313 794 W C 2.259 178.824 176.519 0.076 0.000 1.197 794 W CA 1.788 59.183 57.345 0.083 0.000 1.304 794 W CB -0.296 29.261 29.460 0.161 0.000 1.148 794 W HN -0.069 nan 8.180 nan 0.000 0.494 795 V N 1.960 121.910 119.914 0.061 0.000 2.277 795 V HA -0.427 3.694 4.120 0.001 0.000 0.253 795 V C 2.222 178.220 176.094 -0.160 0.000 1.067 795 V CA 2.543 64.810 62.300 -0.055 0.000 1.047 795 V CB -1.694 30.140 31.823 0.018 0.000 0.649 795 V HN 0.284 nan 8.190 nan 0.000 0.447 796 N N 0.533 119.169 118.700 -0.106 0.000 2.009 796 N HA -0.203 4.538 4.740 0.001 0.000 0.195 796 N C 1.677 177.096 175.510 -0.151 0.000 1.076 796 N CA 2.028 55.015 53.050 -0.105 0.000 0.863 796 N CB -0.640 37.812 38.487 -0.058 0.000 1.062 796 N HN 0.272 nan 8.380 nan 0.000 0.425 797 L N -0.019 121.113 121.223 -0.152 0.000 2.302 797 L HA -0.132 4.208 4.340 0.001 0.000 0.218 797 L C 1.424 178.131 176.870 -0.271 0.000 1.100 797 L CA 1.454 56.191 54.840 -0.172 0.000 0.774 797 L CB -0.253 41.725 42.059 -0.134 0.000 0.896 797 L HN 0.279 nan 8.230 nan 0.000 0.439 798 V N -1.859 117.809 119.914 -0.411 0.000 3.660 798 V HA 0.058 4.179 4.120 0.001 0.000 0.276 798 V C 1.690 177.657 176.094 -0.212 0.000 1.317 798 V CA 1.157 63.216 62.300 -0.402 0.000 1.097 798 V CB -0.301 31.111 31.823 -0.684 0.000 0.863 798 V HN 0.706 nan 8.190 nan 0.000 0.438 799 T N -5.516 108.947 114.554 -0.152 0.000 3.009 799 T HA 0.162 4.513 4.350 0.001 0.000 0.267 799 T C 0.619 175.320 174.700 0.001 0.000 0.942 799 T CA -0.015 62.061 62.100 -0.040 0.000 0.883 799 T CB 0.273 69.094 68.868 -0.078 0.000 1.192 799 T HN 0.306 nan 8.240 nan 0.000 0.524 800 D N 1.360 121.737 120.400 -0.039 0.000 2.559 800 D HA 0.372 5.013 4.640 0.001 0.000 0.234 800 D C 0.780 177.105 176.300 0.042 0.000 1.226 800 D CA -0.016 53.979 54.000 -0.009 0.000 0.830 800 D CB 1.226 42.002 40.800 -0.040 0.000 1.028 800 D HN 0.568 nan 8.370 nan 0.000 0.492 801 G N -0.129 108.691 108.800 0.034 0.000 3.264 801 G HA2 0.256 4.216 3.960 0.001 0.000 0.168 801 G HA3 0.256 4.216 3.960 0.001 0.000 0.168 801 G C 1.158 176.078 174.900 0.033 0.000 1.145 801 G CA -0.435 44.680 45.100 0.025 0.000 0.855 801 G HN 0.057 nan 8.290 nan 0.000 0.629 802 L N 0.663 121.858 121.223 -0.046 0.000 2.113 802 L HA -0.157 4.184 4.340 0.001 0.000 0.221 802 L C -0.338 176.513 176.870 -0.032 0.000 1.084 802 L CA 1.864 56.655 54.840 -0.081 0.000 0.787 802 L CB -1.450 40.480 42.059 -0.215 0.000 0.893 802 L HN 0.297 nan 8.230 nan 0.000 0.440 803 P HA -0.056 nan 4.420 nan 0.000 0.230 803 P C 1.067 178.314 177.300 -0.088 0.000 1.158 803 P CA 1.279 64.338 63.100 -0.067 0.000 0.769 803 P CB 0.126 31.782 31.700 -0.072 0.000 0.807 804 A N -1.311 121.557 122.820 0.080 0.000 1.924 804 A HA -0.006 4.314 4.320 0.001 0.000 0.211 804 A C 2.101 179.898 177.584 0.356 0.000 1.198 804 A CA 1.368 53.525 52.037 0.200 0.000 0.657 804 A CB -1.434 17.748 19.000 0.304 0.000 0.852 804 A HN 0.056 nan 8.150 nan 0.000 0.454 805 T N 0.629 115.349 114.554 0.277 0.000 2.867 805 T HA 0.001 4.352 4.350 0.001 0.000 0.268 805 T C 2.024 176.861 174.700 0.227 0.000 1.057 805 T CA 1.298 63.546 62.100 0.247 0.000 1.136 805 T CB -0.303 68.680 68.868 0.191 0.000 0.874 805 T HN 0.526 nan 8.240 nan 0.000 0.466 806 A N 1.014 123.917 122.820 0.137 0.000 2.172 806 A HA 0.107 4.428 4.320 0.001 0.000 0.216 806 A C 2.104 179.774 177.584 0.143 0.000 1.154 806 A CA 0.790 52.891 52.037 0.107 0.000 0.701 806 A CB -0.706 18.320 19.000 0.043 0.000 0.789 806 A HN 0.520 nan 8.150 nan 0.000 0.465 807 L N -1.185 120.119 121.223 0.135 0.000 2.240 807 L HA -0.010 4.331 4.340 0.001 0.000 0.211 807 L C 2.581 179.513 176.870 0.103 0.000 1.106 807 L CA 0.731 55.632 54.840 0.102 0.000 0.793 807 L CB -0.607 41.531 42.059 0.132 0.000 0.927 807 L HN 0.442 nan 8.230 nan 0.000 0.446 808 G N -0.342 108.534 108.800 0.127 0.000 2.559 808 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 808 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 808 G C 1.015 175.775 174.900 -0.235 0.000 1.126 808 G CA 0.200 45.256 45.100 -0.073 0.000 0.778 808 G HN 0.350 nan 8.290 nan 0.000 0.543 809 F N 0.668 120.506 119.950 -0.186 0.000 2.684 809 F HA 0.323 4.851 4.527 0.001 0.000 0.298 809 F C 0.736 176.437 175.800 -0.165 0.000 1.120 809 F CA -1.084 56.758 58.000 -0.263 0.000 1.332 809 F CB 0.137 38.833 39.000 -0.508 0.000 0.986 809 F HN -0.133 nan 8.300 nan 0.000 0.524 810 N N 1.664 120.373 118.700 0.015 0.000 2.371 810 N HA 0.185 4.926 4.740 0.001 0.000 0.243 810 N C -2.401 173.097 175.510 -0.020 0.000 1.287 810 N CA -1.051 52.001 53.050 0.004 0.000 0.911 810 N CB 0.225 38.707 38.487 -0.007 0.000 1.142 810 N HN -0.059 nan 8.380 nan 0.000 0.451 811 P HA 0.359 nan 4.420 nan 0.000 0.287 811 P C -2.503 174.786 177.300 -0.019 0.000 1.270 811 P CA -1.296 61.797 63.100 -0.013 0.000 0.844 811 P CB 0.418 32.118 31.700 0.000 0.000 1.068 812 P HA 0.037 nan 4.420 nan 0.000 0.259 812 P C -0.407 176.888 177.300 -0.009 0.000 1.211 812 P CA 0.539 63.630 63.100 -0.015 0.000 0.810 812 P CB -0.182 31.508 31.700 -0.016 0.000 0.815 813 D N 1.607 122.005 120.400 -0.004 0.000 2.173 813 D HA 0.097 4.738 4.640 0.001 0.000 0.233 813 D C 0.439 176.738 176.300 -0.001 0.000 1.388 813 D CA 0.784 54.784 54.000 -0.001 0.000 0.903 813 D CB 0.141 40.948 40.800 0.011 0.000 1.302 813 D HN 0.213 nan 8.370 nan 0.000 0.522 814 L N -3.538 117.685 121.223 -0.001 0.000 2.303 814 L HA 0.624 4.965 4.340 0.001 0.000 0.256 814 L C -0.128 176.741 176.870 -0.003 0.000 1.034 814 L CA -0.992 53.846 54.840 -0.004 0.000 0.832 814 L CB 1.726 43.781 42.059 -0.006 0.000 1.403 814 L HN 0.168 nan 8.230 nan 0.000 0.419 815 D N -0.447 119.949 120.400 -0.007 0.000 3.059 815 D HA -0.249 4.391 4.640 0.001 0.000 0.220 815 D C 0.800 177.096 176.300 -0.006 0.000 1.169 815 D CA 1.494 55.488 54.000 -0.011 0.000 0.902 815 D CB -0.560 40.231 40.800 -0.015 0.000 1.116 815 D HN 0.779 nan 8.370 nan 0.000 0.417 816 I N -0.694 119.875 120.570 -0.001 0.000 2.928 816 I HA -0.127 4.043 4.170 0.001 0.000 0.266 816 I C 1.251 177.366 176.117 -0.003 0.000 1.234 816 I CA 0.730 62.033 61.300 0.006 0.000 1.483 816 I CB 0.072 38.078 38.000 0.010 0.000 1.097 816 I HN -0.016 nan 8.210 nan 0.000 0.455 817 M N -0.162 119.432 119.600 -0.011 0.000 2.655 817 M HA 0.149 4.630 4.480 0.001 0.000 0.311 817 M C -0.060 176.230 176.300 -0.017 0.000 1.229 817 M CA 0.522 55.812 55.300 -0.017 0.000 0.972 817 M CB -0.451 32.137 32.600 -0.020 0.000 1.366 817 M HN 0.092 nan 8.290 nan 0.000 0.500 818 D N 0.345 120.736 120.400 -0.016 0.000 2.433 818 D HA 0.068 4.709 4.640 0.001 0.000 0.211 818 D C 0.789 177.076 176.300 -0.022 0.000 1.114 818 D CA 0.047 54.035 54.000 -0.020 0.000 0.837 818 D CB 0.806 41.592 40.800 -0.023 0.000 0.984 818 D HN 0.360 nan 8.370 nan 0.000 0.505 819 R N 1.060 121.549 120.500 -0.019 0.000 2.674 819 R HA 0.552 4.892 4.340 0.001 0.000 0.266 819 R C -2.687 173.600 176.300 -0.023 0.000 1.016 819 R CA -1.620 54.467 56.100 -0.020 0.000 1.062 819 R CB 0.234 30.527 30.300 -0.012 0.000 1.142 819 R HN -0.203 nan 8.270 nan 0.000 0.517 820 P HA 0.191 nan 4.420 nan 0.000 0.276 820 P C -2.458 174.820 177.300 -0.036 0.000 1.252 820 P CA -1.465 61.618 63.100 -0.027 0.000 0.802 820 P CB 0.340 32.025 31.700 -0.025 0.000 1.035 821 P HA 0.160 nan 4.420 nan 0.000 0.275 821 P C 0.146 177.399 177.300 -0.078 0.000 1.227 821 P CA -0.199 62.865 63.100 -0.060 0.000 0.781 821 P CB 0.676 32.346 31.700 -0.050 0.000 0.906 822 R N 2.205 122.628 120.500 -0.128 0.000 2.538 822 R HA 0.101 4.441 4.340 0.001 0.000 0.282 822 R C -0.257 175.973 176.300 -0.118 0.000 1.009 822 R CA 0.379 56.380 56.100 -0.166 0.000 1.063 822 R CB 0.049 30.146 30.300 -0.339 0.000 0.945 822 R HN 0.470 nan 8.270 nan 0.000 0.414 823 S N 6.258 121.909 115.700 -0.082 0.000 2.537 823 S HA 0.177 4.647 4.470 0.001 0.000 0.275 823 S C -1.377 173.191 174.600 -0.054 0.000 1.272 823 S CA -1.248 56.921 58.200 -0.051 0.000 1.050 823 S CB 1.651 64.834 63.200 -0.027 0.000 0.961 823 S HN 0.596 nan 8.310 nan 0.000 0.496 824 P HA -0.045 nan 4.420 nan 0.000 0.231 824 P C -0.291 177.000 177.300 -0.016 0.000 1.158 824 P CA 0.855 63.935 63.100 -0.033 0.000 0.763 824 P CB 0.097 31.784 31.700 -0.023 0.000 0.805 825 K N 0.408 120.801 120.400 -0.012 0.000 3.084 825 K HA 0.259 4.580 4.320 0.001 0.000 0.172 825 K C -0.318 176.281 176.600 -0.002 0.000 1.078 825 K CA -0.090 56.196 56.287 -0.002 0.000 0.875 825 K CB 0.917 33.418 32.500 0.002 0.000 1.064 825 K HN -0.025 nan 8.250 nan 0.000 0.597 826 E N 2.761 122.960 120.200 -0.002 0.000 2.908 826 E HA 0.158 4.509 4.350 0.001 0.000 0.291 826 E C -2.482 174.128 176.600 0.016 0.000 1.154 826 E CA -1.748 54.654 56.400 0.003 0.000 0.784 826 E CB 0.768 30.464 29.700 -0.006 0.000 1.500 826 E HN 0.103 nan 8.360 nan 0.000 0.382 827 P HA -0.245 nan 4.420 nan 0.000 0.277 827 P C 0.438 177.760 177.300 0.036 0.000 1.255 827 P CA 0.267 63.380 63.100 0.022 0.000 0.859 827 P CB 0.608 32.316 31.700 0.014 0.000 0.717 828 L N 2.459 123.689 121.223 0.012 0.000 2.007 828 L HA 0.109 4.450 4.340 0.001 0.000 0.205 828 L C 1.212 178.059 176.870 -0.038 0.000 1.073 828 L CA 1.501 56.334 54.840 -0.011 0.000 0.744 828 L CB -0.394 41.593 42.059 -0.121 0.000 0.898 828 L HN 0.363 nan 8.230 nan 0.000 0.435 829 I N 0.608 121.123 120.570 -0.090 0.000 2.304 829 I HA 0.131 4.301 4.170 0.001 0.000 0.291 829 I C 0.640 176.735 176.117 -0.037 0.000 1.018 829 I CA -0.429 60.806 61.300 -0.108 0.000 1.260 829 I CB 1.143 39.036 38.000 -0.178 0.000 1.390 829 I HN 0.148 nan 8.210 nan 0.000 0.475 830 S N 4.316 120.033 115.700 0.029 0.000 2.549 830 S HA 0.004 4.475 4.470 0.001 0.000 0.278 830 S C 1.423 176.080 174.600 0.094 0.000 1.344 830 S CA 0.564 58.833 58.200 0.114 0.000 1.025 830 S CB 0.948 64.303 63.200 0.259 0.000 0.851 830 S HN 0.818 nan 8.310 nan 0.000 0.530 831 G N 2.790 111.672 108.800 0.136 0.000 2.404 831 G HA2 -0.151 3.810 3.960 0.001 0.000 0.214 831 G HA3 -0.151 3.810 3.960 0.001 0.000 0.214 831 G C 1.380 176.413 174.900 0.222 0.000 1.189 831 G CA 0.782 45.951 45.100 0.114 0.000 0.789 831 G HN 0.949 nan 8.290 nan 0.000 0.533 832 W N 1.203 122.555 121.300 0.087 0.000 2.392 832 W HA 0.040 4.700 4.660 0.001 0.000 0.279 832 W C 1.627 178.284 176.519 0.230 0.000 1.225 832 W CA 0.458 57.892 57.345 0.148 0.000 1.233 832 W CB -0.839 28.682 29.460 0.100 0.000 1.122 832 W HN 0.165 nan 8.180 nan 0.000 0.561 833 L N 0.860 121.990 121.223 -0.155 0.000 2.079 833 L HA -0.185 4.156 4.340 0.001 0.000 0.210 833 L C 2.670 179.339 176.870 -0.335 0.000 1.081 833 L CA 2.081 56.712 54.840 -0.349 0.000 0.752 833 L CB -1.458 40.546 42.059 -0.091 0.000 0.896 833 L HN -0.054 nan 8.230 nan 0.000 0.433 834 F N -1.077 118.652 119.950 -0.367 0.000 2.154 834 F HA -0.335 4.193 4.527 0.001 0.000 0.301 834 F C 2.280 178.022 175.800 -0.096 0.000 1.087 834 F CA 1.593 59.416 58.000 -0.296 0.000 1.274 834 F CB -0.474 38.444 39.000 -0.137 0.000 1.009 834 F HN 0.207 nan 8.300 nan 0.000 0.485 835 F N 1.095 120.959 119.950 -0.144 0.000 2.075 835 F HA -0.183 4.345 4.527 0.001 0.000 0.297 835 F C 2.623 178.246 175.800 -0.295 0.000 1.113 835 F CA 2.077 59.959 58.000 -0.195 0.000 1.218 835 F CB -0.900 37.987 39.000 -0.189 0.000 0.984 835 F HN -0.064 nan 8.300 nan 0.000 0.472 836 R N -0.134 120.054 120.500 -0.521 0.000 2.103 836 R HA -0.267 4.074 4.340 0.001 0.000 0.234 836 R C 2.199 178.353 176.300 -0.244 0.000 1.132 836 R CA 2.514 58.318 56.100 -0.494 0.000 0.925 836 R CB -1.691 28.395 30.300 -0.357 0.000 0.842 836 R HN 0.353 nan 8.270 nan 0.000 0.430 837 Y N 0.050 120.128 120.300 -0.370 0.000 2.173 837 Y HA -0.303 4.248 4.550 0.001 0.000 0.282 837 Y C 2.229 177.906 175.900 -0.370 0.000 1.192 837 Y CA 1.654 59.558 58.100 -0.327 0.000 1.176 837 Y CB -0.505 37.763 38.460 -0.319 0.000 0.969 837 Y HN 0.151 nan 8.280 nan 0.000 0.519 838 M N -1.093 118.341 119.600 -0.276 0.000 2.171 838 M HA 0.083 4.564 4.480 0.001 0.000 0.260 838 M C 2.594 178.737 176.300 -0.262 0.000 1.087 838 M CA 1.261 56.391 55.300 -0.284 0.000 1.154 838 M CB -1.893 30.535 32.600 -0.286 0.000 1.331 838 M HN 0.153 nan 8.290 nan 0.000 0.431 839 A N 0.989 123.549 122.820 -0.434 0.000 1.971 839 A HA -0.191 4.130 4.320 0.001 0.000 0.222 839 A C 2.182 179.603 177.584 -0.272 0.000 1.182 839 A CA 1.706 53.458 52.037 -0.475 0.000 0.649 839 A CB -0.676 17.762 19.000 -0.937 0.000 0.818 839 A HN 0.364 nan 8.150 nan 0.000 0.458 840 I N -1.316 119.095 120.570 -0.266 0.000 2.883 840 I HA 0.011 4.181 4.170 0.001 0.000 0.230 840 I C 2.852 178.923 176.117 -0.075 0.000 1.052 840 I CA 1.255 62.446 61.300 -0.182 0.000 1.434 840 I CB -2.074 35.800 38.000 -0.210 0.000 1.269 840 I HN 0.322 nan 8.210 nan 0.000 0.436 841 G N 0.942 109.664 108.800 -0.130 0.000 2.663 841 G HA2 -0.327 3.633 3.960 0.001 0.000 0.222 841 G HA3 -0.327 3.633 3.960 0.001 0.000 0.222 841 G C 1.633 176.495 174.900 -0.064 0.000 1.146 841 G CA 1.483 46.515 45.100 -0.113 0.000 0.764 841 G HN 0.562 nan 8.290 nan 0.000 0.608 842 G N -0.425 108.336 108.800 -0.065 0.000 2.402 842 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 842 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 842 G C 1.576 176.480 174.900 0.007 0.000 1.162 842 G CA 1.154 46.230 45.100 -0.040 0.000 0.777 842 G HN 0.555 nan 8.290 nan 0.000 0.539 843 Y N 1.876 122.116 120.300 -0.100 0.000 2.070 843 Y HA -0.226 4.325 4.550 0.001 0.000 0.280 843 Y C 2.840 178.702 175.900 -0.064 0.000 1.148 843 Y CA 2.635 60.688 58.100 -0.078 0.000 1.125 843 Y CB -0.451 37.954 38.460 -0.091 0.000 0.975 843 Y HN 0.122 nan 8.280 nan 0.000 0.492 844 V N -0.615 119.432 119.914 0.222 0.000 2.568 844 V HA -0.127 3.994 4.120 0.001 0.000 0.253 844 V C 2.229 178.280 176.094 -0.072 0.000 1.072 844 V CA 1.995 64.337 62.300 0.069 0.000 1.084 844 V CB -1.749 30.144 31.823 0.118 0.000 0.676 844 V HN 0.517 nan 8.190 nan 0.000 0.469 845 G N -0.414 108.349 108.800 -0.062 0.000 2.471 845 G HA2 0.012 3.973 3.960 0.001 0.000 0.219 845 G HA3 0.012 3.973 3.960 0.001 0.000 0.219 845 G C 1.633 176.486 174.900 -0.079 0.000 1.125 845 G CA 0.958 46.025 45.100 -0.056 0.000 0.775 845 G HN 0.869 nan 8.290 nan 0.000 0.548 846 A N 1.277 124.008 122.820 -0.149 0.000 1.872 846 A HA 0.395 4.716 4.320 0.001 0.000 0.214 846 A C 2.821 180.281 177.584 -0.206 0.000 1.187 846 A CA 1.887 53.816 52.037 -0.180 0.000 0.614 846 A CB -0.849 17.998 19.000 -0.254 0.000 0.826 846 A HN 0.693 nan 8.150 nan 0.000 0.442 847 A N -0.674 121.959 122.820 -0.311 0.000 1.948 847 A HA -0.150 4.171 4.320 0.001 0.000 0.220 847 A C 2.293 179.807 177.584 -0.117 0.000 1.177 847 A CA 2.522 54.414 52.037 -0.241 0.000 0.636 847 A CB -1.401 17.452 19.000 -0.246 0.000 0.815 847 A HN 0.446 nan 8.150 nan 0.000 0.449 848 T N -0.189 114.314 114.554 -0.085 0.000 2.622 848 T HA -0.154 4.196 4.350 0.001 0.000 0.266 848 T C 1.935 176.635 174.700 -0.001 0.000 1.047 848 T CA 2.017 64.099 62.100 -0.031 0.000 1.159 848 T CB -0.632 68.227 68.868 -0.015 0.000 0.863 848 T HN 0.223 nan 8.240 nan 0.000 0.422 849 V N 1.259 121.171 119.914 -0.003 0.000 2.307 849 V HA -0.018 4.103 4.120 0.001 0.000 0.245 849 V C 2.500 178.611 176.094 0.029 0.000 1.045 849 V CA 1.672 63.988 62.300 0.026 0.000 1.024 849 V CB -1.356 30.476 31.823 0.016 0.000 0.651 849 V HN 0.590 nan 8.190 nan 0.000 0.449 850 G N -1.259 107.528 108.800 -0.022 0.000 3.352 850 G HA2 0.365 4.326 3.960 0.001 0.000 0.236 850 G HA3 0.365 4.326 3.960 0.001 0.000 0.236 850 G C 0.656 175.560 174.900 0.007 0.000 1.324 850 G CA 0.926 46.008 45.100 -0.029 0.000 1.404 850 G HN 0.649 nan 8.290 nan 0.000 0.542 851 A N -0.132 122.734 122.820 0.077 0.000 1.749 851 A HA 0.664 4.985 4.320 0.001 0.000 0.187 851 A C 2.298 180.061 177.584 0.299 0.000 1.742 851 A CA 1.247 53.360 52.037 0.127 0.000 1.133 851 A CB -0.851 18.159 19.000 0.017 0.000 0.996 851 A HN 0.766 nan 8.150 nan 0.000 0.585 852 A N 0.579 123.528 122.820 0.215 0.000 1.958 852 A HA 0.059 4.379 4.320 0.001 0.000 0.221 852 A C 2.365 180.214 177.584 0.442 0.000 1.178 852 A CA 2.827 55.023 52.037 0.265 0.000 0.642 852 A CB -1.066 18.039 19.000 0.175 0.000 0.816 852 A HN 1.415 nan 8.150 nan 0.000 0.453 853 A N -1.394 121.631 122.820 0.342 0.000 1.858 853 A HA -0.156 4.165 4.320 0.001 0.000 0.216 853 A C 2.014 179.813 177.584 0.359 0.000 1.190 853 A CA 1.599 53.828 52.037 0.319 0.000 0.617 853 A CB -1.141 17.945 19.000 0.143 0.000 0.827 853 A HN 0.969 nan 8.150 nan 0.000 0.443 854 W N -0.624 120.741 121.300 0.109 0.000 2.308 854 W HA -0.262 4.399 4.660 0.001 0.000 0.301 854 W C 1.980 178.625 176.519 0.209 0.000 1.220 854 W CA 2.051 59.458 57.345 0.102 0.000 1.240 854 W CB -0.391 29.103 29.460 0.057 0.000 1.142 854 W HN 0.520 nan 8.180 nan 0.000 0.521 855 W N 0.005 121.450 121.300 0.241 0.000 2.353 855 W HA -0.196 4.464 4.660 0.001 0.000 0.319 855 W C 2.005 178.416 176.519 -0.180 0.000 1.207 855 W CA 2.100 59.387 57.345 -0.097 0.000 1.291 855 W CB -1.198 28.292 29.460 0.049 0.000 1.159 855 W HN -0.144 nan 8.180 nan 0.000 0.478 856 F N 0.853 121.051 119.950 0.413 0.000 2.529 856 F HA -0.198 4.330 4.527 0.001 0.000 0.297 856 F C 2.031 177.796 175.800 -0.058 0.000 1.114 856 F CA 2.131 60.261 58.000 0.216 0.000 1.467 856 F CB -0.286 38.944 39.000 0.384 0.000 1.096 856 F HN 0.093 nan 8.300 nan 0.000 0.586 857 M N -4.638 115.007 119.600 0.075 0.000 1.676 857 M HA 0.153 4.634 4.480 0.001 0.000 0.184 857 M C 0.148 176.454 176.300 0.010 0.000 1.292 857 M CA 0.106 55.467 55.300 0.101 0.000 0.847 857 M CB 0.123 32.917 32.600 0.323 0.000 1.623 857 M HN -0.248 nan 8.290 nan 0.000 0.603 858 Y N 2.871 122.960 120.300 -0.352 0.000 2.627 858 Y HA 0.604 5.155 4.550 0.001 0.000 0.339 858 Y C 0.936 176.217 175.900 -1.031 0.000 1.137 858 Y CA -0.858 56.966 58.100 -0.460 0.000 1.361 858 Y CB -0.770 37.577 38.460 -0.190 0.000 1.180 858 Y HN 0.363 nan 8.280 nan 0.000 0.512 859 A N 0.352 122.625 122.820 -0.912 0.000 2.906 859 A HA 0.127 4.448 4.320 0.001 0.000 0.289 859 A C 1.483 178.748 177.584 -0.533 0.000 1.675 859 A CA -0.221 51.144 52.037 -1.120 0.000 1.372 859 A CB -0.216 18.160 19.000 -1.039 0.000 1.091 859 A HN 0.356 nan 8.150 nan 0.000 0.579 860 E N 1.265 121.284 120.200 -0.302 0.000 2.200 860 E HA -0.251 4.100 4.350 0.001 0.000 0.211 860 E C 0.078 176.616 176.600 -0.104 0.000 1.048 860 E CA 2.277 58.619 56.400 -0.097 0.000 0.851 860 E CB 0.063 29.807 29.700 0.073 0.000 0.747 860 E HN 0.846 nan 8.360 nan 0.000 0.462 861 D N -1.533 118.804 120.400 -0.105 0.000 2.556 861 D HA 0.208 4.849 4.640 0.001 0.000 0.237 861 D C 0.148 176.361 176.300 -0.146 0.000 1.296 861 D CA 0.219 54.164 54.000 -0.091 0.000 0.807 861 D CB 0.945 41.731 40.800 -0.022 0.000 1.084 861 D HN 0.084 nan 8.370 nan 0.000 0.510 862 G N 1.398 110.037 108.800 -0.268 0.000 2.412 862 G HA2 0.530 4.491 3.960 0.001 0.000 0.318 862 G HA3 0.530 4.491 3.960 0.001 0.000 0.318 862 G C -2.318 172.302 174.900 -0.467 0.000 1.146 862 G CA -1.176 43.702 45.100 -0.370 0.000 0.882 862 G HN -0.154 nan 8.290 nan 0.000 0.501 863 P HA 0.192 nan 4.420 nan 0.000 0.277 863 P C 0.947 177.857 177.300 -0.651 0.000 1.276 863 P CA 0.804 63.658 63.100 -0.409 0.000 0.788 863 P CB 0.513 32.082 31.700 -0.218 0.000 1.114 864 G N -0.587 107.972 108.800 -0.400 0.000 2.244 864 G HA2 -0.279 3.681 3.960 0.001 0.000 0.274 864 G HA3 -0.279 3.681 3.960 0.001 0.000 0.274 864 G C 0.477 175.200 174.900 -0.295 0.000 1.002 864 G CA 0.414 45.317 45.100 -0.329 0.000 0.740 864 G HN 0.676 nan 8.290 nan 0.000 0.516 865 V N 0.272 119.988 119.914 -0.329 0.000 2.063 865 V HA 0.296 4.417 4.120 0.001 0.000 0.227 865 V C 1.476 177.570 176.094 -0.001 0.000 1.663 865 V CA 0.606 62.780 62.300 -0.211 0.000 1.621 865 V CB -2.205 29.480 31.823 -0.229 0.000 1.556 865 V HN 0.889 nan 8.190 nan 0.000 0.489 866 T N 0.431 115.061 114.554 0.126 0.000 2.905 866 T HA 0.243 4.593 4.350 0.001 0.000 0.400 866 T C -0.115 174.809 174.700 0.373 0.000 1.098 866 T CA 0.713 62.984 62.100 0.285 0.000 1.095 866 T CB 0.558 69.634 68.868 0.347 0.000 1.281 866 T HN 0.662 nan 8.240 nan 0.000 0.515 867 Y N -1.244 119.240 120.300 0.306 0.000 2.753 867 Y HA 0.374 4.924 4.550 0.001 0.000 0.324 867 Y C 1.838 177.892 175.900 0.256 0.000 1.147 867 Y CA -1.128 57.090 58.100 0.197 0.000 1.173 867 Y CB 0.725 39.208 38.460 0.039 0.000 1.361 867 Y HN 0.820 nan 8.280 nan 0.000 0.545 868 H N -0.511 118.030 119.070 -0.881 0.000 2.466 868 H HA -0.169 4.387 4.556 0.001 0.000 0.297 868 H C 0.828 176.087 175.328 -0.115 0.000 1.113 868 H CA 1.265 57.008 56.048 -0.507 0.000 1.273 868 H CB 0.373 29.714 29.762 -0.703 0.000 1.371 868 H HN 0.435 nan 8.280 nan 0.000 0.528 869 Q N 1.163 121.066 119.800 0.172 0.000 2.415 869 Q HA -0.025 4.316 4.340 0.001 0.000 0.206 869 Q C 2.131 178.276 176.000 0.242 0.000 0.946 869 Q CA 0.210 56.136 55.803 0.205 0.000 0.951 869 Q CB -0.067 28.739 28.738 0.113 0.000 1.026 869 Q HN 0.575 nan 8.270 nan 0.000 0.510 870 L N -2.251 119.124 121.223 0.253 0.000 2.265 870 L HA -0.002 4.339 4.340 0.001 0.000 0.215 870 L C 2.021 178.999 176.870 0.180 0.000 1.117 870 L CA 1.743 56.773 54.840 0.316 0.000 0.782 870 L CB -1.508 40.666 42.059 0.192 0.000 0.914 870 L HN -0.108 nan 8.230 nan 0.000 0.441 871 T N -0.990 113.606 114.554 0.069 0.000 2.849 871 T HA -0.189 4.161 4.350 0.001 0.000 0.270 871 T C 1.133 175.688 174.700 -0.242 0.000 1.066 871 T CA 1.412 63.466 62.100 -0.077 0.000 1.130 871 T CB -0.553 68.207 68.868 -0.179 0.000 0.864 871 T HN 0.614 nan 8.240 nan 0.000 0.481 872 H N 0.748 119.779 119.070 -0.066 0.000 2.524 872 H HA 0.169 4.726 4.556 0.001 0.000 0.297 872 H C 1.103 176.265 175.328 -0.277 0.000 1.115 872 H CA -0.354 55.583 56.048 -0.184 0.000 1.027 872 H CB -0.583 29.118 29.762 -0.102 0.000 1.591 872 H HN 0.596 nan 8.280 nan 0.000 0.543 873 F N -0.650 119.118 119.950 -0.303 0.000 2.481 873 F HA -0.142 4.385 4.527 0.001 0.000 0.297 873 F C 1.598 177.043 175.800 -0.592 0.000 1.095 873 F CA 0.519 58.043 58.000 -0.794 0.000 1.465 873 F CB -0.262 38.001 39.000 -1.229 0.000 1.098 873 F HN 0.022 nan 8.300 nan 0.000 0.585 874 M N 0.449 119.635 119.600 -0.690 0.000 2.492 874 M HA 0.030 4.510 4.480 0.001 0.000 0.262 874 M C 0.248 176.427 176.300 -0.201 0.000 1.090 874 M CA 0.925 55.953 55.300 -0.455 0.000 1.110 874 M CB -0.851 31.450 32.600 -0.497 0.000 1.407 874 M HN 0.359 nan 8.290 nan 0.000 0.470 875 Q N -0.340 119.372 119.800 -0.147 0.000 2.788 875 Q HA 0.204 4.545 4.340 0.001 0.000 0.261 875 Q C 0.629 176.628 176.000 -0.002 0.000 1.029 875 Q CA -0.509 55.253 55.803 -0.068 0.000 0.848 875 Q CB 0.823 29.516 28.738 -0.074 0.000 1.185 875 Q HN 0.505 nan 8.270 nan 0.000 0.482 876 C N -2.908 116.413 119.300 0.035 0.000 2.709 876 C HA 0.097 4.557 4.460 0.001 0.000 0.504 876 C C 2.407 177.484 174.990 0.145 0.000 1.338 876 C CA 0.698 59.802 59.018 0.144 0.000 2.606 876 C CB -0.372 27.525 27.740 0.263 0.000 3.196 876 C HN 0.635 nan 8.230 nan 0.000 0.538 877 T N 0.901 115.523 114.554 0.113 0.000 2.737 877 T HA -0.197 4.154 4.350 0.001 0.000 0.269 877 T C 1.349 176.106 174.700 0.094 0.000 1.040 877 T CA 2.316 64.476 62.100 0.099 0.000 1.142 877 T CB -0.534 68.374 68.868 0.067 0.000 0.861 877 T HN 0.790 nan 8.240 nan 0.000 0.456 878 E N 0.343 120.581 120.200 0.062 0.000 2.330 878 E HA 0.133 4.484 4.350 0.001 0.000 0.200 878 E C 0.286 176.868 176.600 -0.031 0.000 0.922 878 E CA -0.065 56.355 56.400 0.035 0.000 0.935 878 E CB 0.412 30.112 29.700 0.001 0.000 0.917 878 E HN 0.376 nan 8.360 nan 0.000 0.491 879 D N 0.810 121.185 120.400 -0.042 0.000 2.256 879 D HA 0.109 4.749 4.640 0.001 0.000 0.240 879 D C -1.309 174.948 176.300 -0.072 0.000 1.062 879 D CA -0.519 53.389 54.000 -0.153 0.000 0.832 879 D CB 0.814 41.555 40.800 -0.099 0.000 1.135 879 D HN 0.093 nan 8.370 nan 0.000 0.484 880 H N 0.991 120.015 119.070 -0.078 0.000 3.078 880 H HA 0.421 4.977 4.556 0.001 0.000 0.319 880 H C -2.462 172.698 175.328 -0.280 0.000 0.995 880 H CA -1.859 54.117 56.048 -0.120 0.000 1.417 880 H CB 1.348 31.001 29.762 -0.182 0.000 1.598 880 H HN 0.075 nan 8.280 nan 0.000 0.515 881 P HA -0.099 nan 4.420 nan 0.000 0.239 881 P C -0.290 177.163 177.300 0.254 0.000 1.184 881 P CA 0.644 63.825 63.100 0.137 0.000 0.760 881 P CB -0.046 31.766 31.700 0.186 0.000 0.884 882 H N -4.446 114.826 119.070 0.336 0.000 3.022 882 H HA -0.159 4.398 4.556 0.001 0.000 0.258 882 H C 0.763 176.197 175.328 0.177 0.000 1.212 882 H CA 1.005 57.163 56.048 0.183 0.000 1.126 882 H CB -2.344 27.501 29.762 0.138 0.000 1.267 882 H HN 0.428 nan 8.280 nan 0.000 0.345 883 F N -0.195 119.798 119.950 0.072 0.000 2.615 883 F HA 0.415 4.943 4.527 0.001 0.000 0.297 883 F C 0.748 176.550 175.800 0.003 0.000 1.124 883 F CA 0.342 58.346 58.000 0.008 0.000 1.451 883 F CB 0.646 39.619 39.000 -0.044 0.000 1.103 883 F HN -0.068 nan 8.300 nan 0.000 0.569 884 E N -0.184 119.775 120.200 -0.401 0.000 2.427 884 E HA 0.236 4.587 4.350 0.001 0.000 0.279 884 E C -0.857 175.546 176.600 -0.329 0.000 1.120 884 E CA -0.209 55.991 56.400 -0.334 0.000 0.869 884 E CB 0.993 30.483 29.700 -0.350 0.000 1.393 884 E HN -0.033 nan 8.360 nan 0.000 0.443 885 G N 1.269 109.938 108.800 -0.219 0.000 3.860 885 G HA2 0.376 4.337 3.960 0.001 0.000 0.269 885 G HA3 0.376 4.337 3.960 0.001 0.000 0.269 885 G C -0.148 174.645 174.900 -0.177 0.000 1.112 885 G CA -0.169 44.824 45.100 -0.178 0.000 1.674 885 G HN 0.116 nan 8.290 nan 0.000 0.628 886 L N 0.666 121.751 121.223 -0.228 0.000 2.461 886 L HA 0.291 4.631 4.340 0.001 0.000 0.272 886 L C -0.365 176.449 176.870 -0.092 0.000 1.197 886 L CA -0.201 54.533 54.840 -0.175 0.000 0.836 886 L CB 0.786 42.727 42.059 -0.197 0.000 1.105 886 L HN 0.138 nan 8.230 nan 0.000 0.477 887 D N 3.473 123.817 120.400 -0.094 0.000 2.280 887 D HA 0.124 4.765 4.640 0.001 0.000 0.243 887 D C 0.636 176.931 176.300 -0.009 0.000 1.129 887 D CA -0.129 53.843 54.000 -0.046 0.000 0.848 887 D CB 1.215 41.984 40.800 -0.052 0.000 1.107 887 D HN 0.724 nan 8.370 nan 0.000 0.471 888 C N 1.980 121.348 119.300 0.114 0.000 2.466 888 C HA -0.043 4.418 4.460 0.001 0.000 0.283 888 C C 1.958 177.122 174.990 0.290 0.000 1.472 888 C CA 0.108 59.306 59.018 0.300 0.000 1.765 888 C CB -0.774 27.100 27.740 0.223 0.000 1.724 888 C HN 0.648 nan 8.230 nan 0.000 0.560 889 E N 1.201 121.475 120.200 0.125 0.000 2.364 889 E HA 0.046 4.397 4.350 0.001 0.000 0.196 889 E C 1.820 178.462 176.600 0.070 0.000 0.990 889 E CA 0.321 56.779 56.400 0.097 0.000 0.886 889 E CB -0.056 29.671 29.700 0.045 0.000 0.866 889 E HN 0.825 nan 8.360 nan 0.000 0.493 890 I N -1.474 119.089 120.570 -0.012 0.000 3.241 890 I HA -0.097 4.073 4.170 0.001 0.000 0.280 890 I C 1.011 177.214 176.117 0.143 0.000 1.320 890 I CA 0.765 62.072 61.300 0.011 0.000 1.413 890 I CB -0.239 37.755 38.000 -0.011 0.000 1.060 890 I HN -0.135 nan 8.210 nan 0.000 0.500 891 F N 1.667 121.770 119.950 0.254 0.000 2.811 891 F HA 0.133 4.661 4.527 0.001 0.000 0.301 891 F C 1.452 177.279 175.800 0.044 0.000 1.151 891 F CA 0.485 58.582 58.000 0.161 0.000 1.412 891 F CB -0.214 38.741 39.000 -0.075 0.000 1.113 891 F HN 0.193 nan 8.300 nan 0.000 0.579 892 E N -0.410 119.894 120.200 0.172 0.000 2.641 892 E HA 0.319 4.670 4.350 0.001 0.000 0.224 892 E C 0.708 177.291 176.600 -0.028 0.000 0.951 892 E CA -0.059 56.368 56.400 0.045 0.000 1.102 892 E CB 0.206 29.920 29.700 0.024 0.000 1.091 892 E HN 0.064 nan 8.360 nan 0.000 0.507 893 A N 2.984 125.773 122.820 -0.052 0.000 2.592 893 A HA -0.017 4.304 4.320 0.001 0.000 0.250 893 A C -1.275 176.106 177.584 -0.339 0.000 1.017 893 A CA -0.326 51.581 52.037 -0.216 0.000 0.794 893 A CB 0.091 18.863 19.000 -0.380 0.000 0.917 893 A HN 0.032 nan 8.150 nan 0.000 0.515 894 P HA -0.059 nan 4.420 nan 0.000 0.233 894 P C 0.525 177.601 177.300 -0.374 0.000 1.167 894 P CA 0.848 63.802 63.100 -0.243 0.000 0.770 894 P CB 0.334 31.950 31.700 -0.139 0.000 0.837 895 E N 0.664 120.523 120.200 -0.569 0.000 2.150 895 E HA -0.068 4.283 4.350 0.001 0.000 0.193 895 E C -0.560 175.324 176.600 -1.194 0.000 0.985 895 E CA 1.382 57.339 56.400 -0.738 0.000 0.814 895 E CB -1.870 27.522 29.700 -0.513 0.000 0.752 895 E HN 0.457 nan 8.360 nan 0.000 0.466 896 P HA -0.092 nan 4.420 nan 0.000 0.213 896 P C 1.333 178.390 177.300 -0.405 0.000 1.169 896 P CA 1.234 63.709 63.100 -1.042 0.000 0.885 896 P CB -0.050 31.041 31.700 -1.016 0.000 0.779 897 M N -0.626 118.796 119.600 -0.297 0.000 2.267 897 M HA -0.094 4.387 4.480 0.001 0.000 0.263 897 M C 1.737 177.977 176.300 -0.100 0.000 1.063 897 M CA 1.911 57.136 55.300 -0.125 0.000 1.090 897 M CB -1.175 31.374 32.600 -0.085 0.000 1.392 897 M HN -0.038 nan 8.290 nan 0.000 0.422 898 T N -0.496 113.953 114.554 -0.175 0.000 3.054 898 T HA 0.086 4.437 4.350 0.001 0.000 0.259 898 T C 1.701 176.330 174.700 -0.119 0.000 1.092 898 T CA 0.599 62.632 62.100 -0.111 0.000 1.121 898 T CB 0.110 68.894 68.868 -0.139 0.000 0.912 898 T HN 0.221 nan 8.240 nan 0.000 0.489 899 M N 1.039 120.537 119.600 -0.170 0.000 2.492 899 M HA 0.302 4.783 4.480 0.001 0.000 0.262 899 M C 2.148 178.408 176.300 -0.068 0.000 1.090 899 M CA 0.258 55.489 55.300 -0.115 0.000 1.110 899 M CB -0.945 31.652 32.600 -0.004 0.000 1.407 899 M HN 0.283 nan 8.290 nan 0.000 0.470 900 A N 0.081 122.876 122.820 -0.042 0.000 1.865 900 A HA -0.056 4.265 4.320 0.001 0.000 0.216 900 A C 1.897 179.495 177.584 0.024 0.000 1.315 900 A CA 0.740 52.777 52.037 -0.000 0.000 0.605 900 A CB -1.249 17.761 19.000 0.017 0.000 0.984 900 A HN 0.344 nan 8.150 nan 0.000 0.470 901 L N 0.569 121.834 121.223 0.069 0.000 2.123 901 L HA -0.225 4.116 4.340 0.001 0.000 0.217 901 L C 2.417 179.393 176.870 0.177 0.000 1.081 901 L CA 2.906 57.840 54.840 0.157 0.000 0.772 901 L CB -0.832 41.371 42.059 0.240 0.000 0.890 901 L HN 0.409 nan 8.230 nan 0.000 0.437 902 S N -2.101 113.693 115.700 0.157 0.000 2.428 902 S HA -0.073 4.397 4.470 0.001 0.000 0.230 902 S C 1.867 176.453 174.600 -0.023 0.000 1.014 902 S CA 1.045 59.337 58.200 0.153 0.000 0.957 902 S CB -0.254 62.907 63.200 -0.064 0.000 0.784 902 S HN 0.333 nan 8.310 nan 0.000 0.499 903 V N 2.205 122.091 119.914 -0.046 0.000 2.323 903 V HA -0.050 4.070 4.120 0.001 0.000 0.244 903 V C 2.345 178.437 176.094 -0.004 0.000 1.041 903 V CA 1.346 63.621 62.300 -0.041 0.000 1.025 903 V CB -0.622 31.169 31.823 -0.054 0.000 0.656 903 V HN 0.421 nan 8.190 nan 0.000 0.451 904 L N 0.401 121.625 121.223 0.002 0.000 1.929 904 L HA -0.197 4.144 4.340 0.001 0.000 0.229 904 L C 2.471 179.334 176.870 -0.012 0.000 1.086 904 L CA 2.273 57.112 54.840 -0.001 0.000 0.798 904 L CB -1.315 40.754 42.059 0.017 0.000 0.898 904 L HN 0.171 nan 8.230 nan 0.000 0.436 905 V N -0.507 119.386 119.914 -0.036 0.000 2.242 905 V HA -0.451 3.670 4.120 0.001 0.000 0.257 905 V C 2.586 178.672 176.094 -0.014 0.000 1.073 905 V CA 2.705 64.956 62.300 -0.082 0.000 1.058 905 V CB -1.314 30.362 31.823 -0.246 0.000 0.664 905 V HN 0.665 nan 8.190 nan 0.000 0.451 906 T N -1.032 113.551 114.554 0.048 0.000 2.833 906 T HA -0.148 4.202 4.350 0.001 0.000 0.269 906 T C 1.761 176.506 174.700 0.076 0.000 1.054 906 T CA 1.768 63.935 62.100 0.111 0.000 1.135 906 T CB -0.322 68.688 68.868 0.237 0.000 0.869 906 T HN 0.436 nan 8.240 nan 0.000 0.466 907 I N 0.573 121.176 120.570 0.054 0.000 2.252 907 I HA -0.112 4.059 4.170 0.001 0.000 0.245 907 I C 2.400 178.548 176.117 0.052 0.000 1.102 907 I CA 1.531 62.864 61.300 0.054 0.000 1.385 907 I CB -0.089 37.940 38.000 0.047 0.000 1.064 907 I HN 0.267 nan 8.210 nan 0.000 0.414 908 E N 0.102 120.325 120.200 0.037 0.000 2.051 908 E HA -0.234 4.117 4.350 0.001 0.000 0.192 908 E C 2.148 178.840 176.600 0.153 0.000 0.991 908 E CA 1.382 57.821 56.400 0.065 0.000 0.799 908 E CB -0.205 29.500 29.700 0.008 0.000 0.748 908 E HN 0.442 nan 8.360 nan 0.000 0.449 909 M N 0.269 119.919 119.600 0.083 0.000 2.213 909 M HA -0.132 4.349 4.480 0.001 0.000 0.263 909 M C 2.450 178.770 176.300 0.033 0.000 1.062 909 M CA 0.914 56.241 55.300 0.045 0.000 1.105 909 M CB -1.336 31.270 32.600 0.009 0.000 1.385 909 M HN 0.224 nan 8.290 nan 0.000 0.417 910 C N 0.577 119.905 119.300 0.047 0.000 2.435 910 C HA -0.112 4.349 4.460 0.001 0.000 0.279 910 C C 2.625 177.633 174.990 0.030 0.000 1.321 910 C CA 1.040 60.078 59.018 0.034 0.000 1.752 910 C CB -1.380 26.386 27.740 0.043 0.000 1.959 910 C HN 0.609 nan 8.230 nan 0.000 0.500 911 N N 1.148 119.890 118.700 0.070 0.000 2.207 911 N HA -0.011 4.730 4.740 0.001 0.000 0.182 911 N C 1.784 177.365 175.510 0.119 0.000 1.020 911 N CA 1.590 54.697 53.050 0.095 0.000 0.858 911 N CB -0.368 38.188 38.487 0.115 0.000 0.991 911 N HN 0.380 nan 8.380 nan 0.000 0.427 912 A N 0.706 123.584 122.820 0.096 0.000 2.032 912 A HA -0.105 4.215 4.320 0.001 0.000 0.221 912 A C 2.175 179.618 177.584 -0.235 0.000 1.165 912 A CA 0.963 52.748 52.037 -0.421 0.000 0.645 912 A CB -0.845 17.792 19.000 -0.605 0.000 0.807 912 A HN 0.397 nan 8.150 nan 0.000 0.453 913 L N -0.300 120.858 121.223 -0.107 0.000 2.456 913 L HA -0.109 4.231 4.340 0.001 0.000 0.224 913 L C 1.591 178.419 176.870 -0.071 0.000 1.148 913 L CA 0.506 55.297 54.840 -0.083 0.000 0.825 913 L CB -0.366 41.663 42.059 -0.050 0.000 0.937 913 L HN 0.406 nan 8.230 nan 0.000 0.450 914 N N -1.121 117.547 118.700 -0.054 0.000 2.422 914 N HA -0.014 4.727 4.740 0.001 0.000 0.181 914 N C 1.010 176.495 175.510 -0.042 0.000 1.080 914 N CA 0.421 53.448 53.050 -0.038 0.000 0.893 914 N CB 0.426 38.899 38.487 -0.024 0.000 0.973 914 N HN 0.078 nan 8.380 nan 0.000 0.456 915 S N 0.750 116.407 115.700 -0.071 0.000 2.677 915 S HA 0.288 4.759 4.470 0.001 0.000 0.246 915 S C 1.535 176.093 174.600 -0.070 0.000 1.005 915 S CA -0.200 57.958 58.200 -0.070 0.000 1.062 915 S CB 0.017 63.148 63.200 -0.115 0.000 0.778 915 S HN 0.231 nan 8.310 nan 0.000 0.461 916 L N 1.105 122.291 121.223 -0.062 0.000 2.354 916 L HA 0.204 4.544 4.340 0.001 0.000 0.212 916 L C 0.809 177.656 176.870 -0.038 0.000 1.091 916 L CA 0.274 55.081 54.840 -0.056 0.000 0.828 916 L CB 0.208 42.222 42.059 -0.075 0.000 0.973 916 L HN 0.409 nan 8.230 nan 0.000 0.461 917 S N -2.517 113.166 115.700 -0.028 0.000 2.560 917 S HA 0.203 4.674 4.470 0.001 0.000 0.283 917 S C 0.250 174.856 174.600 0.010 0.000 1.141 917 S CA -0.857 57.338 58.200 -0.010 0.000 0.902 917 S CB 1.435 64.626 63.200 -0.015 0.000 1.104 917 S HN -0.063 nan 8.310 nan 0.000 0.454 918 E N 2.945 123.161 120.200 0.027 0.000 2.035 918 E HA -0.175 4.176 4.350 0.001 0.000 0.204 918 E C 0.470 177.116 176.600 0.077 0.000 1.025 918 E CA 1.680 58.115 56.400 0.058 0.000 0.835 918 E CB -0.300 29.448 29.700 0.080 0.000 0.764 918 E HN 0.842 nan 8.360 nan 0.000 0.457 919 N N 0.527 119.269 118.700 0.070 0.000 2.467 919 N HA 0.066 4.807 4.740 0.001 0.000 0.278 919 N C -0.213 175.324 175.510 0.046 0.000 1.306 919 N CA -0.209 52.887 53.050 0.076 0.000 0.905 919 N CB 0.788 39.324 38.487 0.081 0.000 1.236 919 N HN 0.030 nan 8.380 nan 0.000 0.509 920 Q N 0.176 119.995 119.800 0.031 0.000 2.333 920 Q HA 0.362 4.703 4.340 0.001 0.000 0.266 920 Q C -0.265 175.744 176.000 0.015 0.000 1.053 920 Q CA -0.362 55.450 55.803 0.015 0.000 0.890 920 Q CB 1.889 30.623 28.738 -0.006 0.000 1.337 920 Q HN 0.066 nan 8.270 nan 0.000 0.474 921 S N -0.420 115.284 115.700 0.007 0.000 2.672 921 S HA 0.348 4.819 4.470 0.001 0.000 0.276 921 S C 1.042 175.615 174.600 -0.046 0.000 1.207 921 S CA -0.457 57.744 58.200 0.001 0.000 1.002 921 S CB 0.375 63.585 63.200 0.017 0.000 0.998 921 S HN 0.556 nan 8.310 nan 0.000 0.542 922 L N 2.531 123.720 121.223 -0.057 0.000 2.478 922 L HA 0.044 4.385 4.340 0.001 0.000 0.223 922 L C 2.143 178.930 176.870 -0.138 0.000 1.140 922 L CA 0.406 55.179 54.840 -0.111 0.000 0.842 922 L CB -0.283 41.722 42.059 -0.089 0.000 0.953 922 L HN 0.723 nan 8.230 nan 0.000 0.452 923 M N -0.241 119.313 119.600 -0.076 0.000 2.134 923 M HA -0.127 4.354 4.480 0.001 0.000 0.262 923 M C 2.210 178.467 176.300 -0.071 0.000 1.076 923 M CA 1.676 56.942 55.300 -0.058 0.000 1.143 923 M CB -0.041 32.552 32.600 -0.012 0.000 1.346 923 M HN -0.113 nan 8.290 nan 0.000 0.421 924 R N -0.543 119.925 120.500 -0.053 0.000 2.307 924 R HA 0.197 4.537 4.340 0.001 0.000 0.199 924 R C -0.478 175.773 176.300 -0.081 0.000 1.000 924 R CA 0.795 56.867 56.100 -0.045 0.000 1.023 924 R CB 0.015 30.303 30.300 -0.020 0.000 0.908 924 R HN 0.342 nan 8.270 nan 0.000 0.473 925 M N 0.650 120.166 119.600 -0.140 0.000 2.302 925 M HA 0.271 4.751 4.480 0.001 0.000 0.207 925 M C -2.490 173.607 176.300 -0.339 0.000 1.016 925 M CA -1.868 53.315 55.300 -0.195 0.000 0.941 925 M CB 2.404 34.930 32.600 -0.123 0.000 2.701 925 M HN -0.232 nan 8.290 nan 0.000 0.377 926 P HA -0.005 nan 4.420 nan 0.000 0.269 926 P C -1.820 175.013 177.300 -0.778 0.000 1.211 926 P CA -0.525 61.957 63.100 -1.030 0.000 0.781 926 P CB 0.044 30.245 31.700 -2.499 0.000 0.877 927 P HA -0.163 nan 4.420 nan 0.000 0.219 927 P C 0.865 178.126 177.300 -0.064 0.000 1.146 927 P CA 1.667 64.653 63.100 -0.189 0.000 0.808 927 P CB -0.420 31.252 31.700 -0.046 0.000 0.779 928 W N -0.353 120.952 121.300 0.009 0.000 2.825 928 W HA 0.117 4.778 4.660 0.001 0.000 0.243 928 W C 1.412 177.950 176.519 0.031 0.000 1.293 928 W CA -0.157 57.198 57.345 0.016 0.000 1.403 928 W CB -1.942 27.524 29.460 0.010 0.000 1.134 928 W HN -0.319 nan 8.180 nan 0.000 0.666 929 V N 1.938 121.797 119.914 -0.092 0.000 2.278 929 V HA -0.324 3.797 4.120 0.001 0.000 0.251 929 V C 1.314 177.464 176.094 0.094 0.000 1.062 929 V CA 2.292 64.586 62.300 -0.010 0.000 1.038 929 V CB -0.993 30.759 31.823 -0.117 0.000 0.646 929 V HN 0.412 nan 8.190 nan 0.000 0.447 930 N N 0.104 118.853 118.700 0.081 0.000 2.444 930 N HA 0.187 4.928 4.740 0.001 0.000 0.262 930 N C 0.477 176.096 175.510 0.181 0.000 0.974 930 N CA -0.321 52.810 53.050 0.135 0.000 0.933 930 N CB 1.465 40.007 38.487 0.092 0.000 1.137 930 N HN -0.001 nan 8.380 nan 0.000 0.498 931 I N 2.432 123.156 120.570 0.258 0.000 2.193 931 I HA -0.122 4.048 4.170 0.001 0.000 0.240 931 I C 1.311 177.538 176.117 0.184 0.000 1.084 931 I CA 0.816 62.238 61.300 0.203 0.000 1.365 931 I CB -0.916 37.182 38.000 0.162 0.000 1.064 931 I HN 0.587 nan 8.210 nan 0.000 0.410 932 W N 0.910 122.181 121.300 -0.049 0.000 2.303 932 W HA -0.245 4.416 4.660 0.001 0.000 0.287 932 W C 2.386 178.839 176.519 -0.109 0.000 1.213 932 W CA 0.785 58.058 57.345 -0.120 0.000 1.203 932 W CB -1.280 28.035 29.460 -0.240 0.000 1.136 932 W HN 0.138 nan 8.180 nan 0.000 0.547 933 L N 0.175 121.489 121.223 0.151 0.000 1.973 933 L HA -0.132 4.209 4.340 0.001 0.000 0.208 933 L C 2.293 179.163 176.870 0.000 0.000 1.073 933 L CA 1.870 56.734 54.840 0.040 0.000 0.746 933 L CB -1.307 40.760 42.059 0.012 0.000 0.891 933 L HN -0.038 nan 8.230 nan 0.000 0.433 934 L N -0.370 120.864 121.223 0.018 0.000 2.034 934 L HA -0.241 4.099 4.340 0.001 0.000 0.217 934 L C 2.512 179.358 176.870 -0.039 0.000 1.077 934 L CA 1.593 56.433 54.840 -0.000 0.000 0.769 934 L CB -1.981 40.099 42.059 0.035 0.000 0.890 934 L HN 0.531 nan 8.230 nan 0.000 0.435 935 G N 0.493 109.263 108.800 -0.050 0.000 2.639 935 G HA2 -0.359 3.602 3.960 0.001 0.000 0.216 935 G HA3 -0.359 3.602 3.960 0.001 0.000 0.216 935 G C 1.754 176.589 174.900 -0.109 0.000 1.267 935 G CA 1.670 46.708 45.100 -0.102 0.000 0.801 935 G HN 0.517 nan 8.290 nan 0.000 0.592 936 S N 0.796 116.438 115.700 -0.098 0.000 2.392 936 S HA -0.193 4.278 4.470 0.001 0.000 0.232 936 S C 2.331 176.865 174.600 -0.111 0.000 1.041 936 S CA 1.611 59.740 58.200 -0.118 0.000 1.026 936 S CB -0.522 62.624 63.200 -0.089 0.000 0.845 936 S HN 0.409 nan 8.310 nan 0.000 0.465 937 I N 1.401 121.917 120.570 -0.090 0.000 2.076 937 I HA -0.241 3.930 4.170 0.001 0.000 0.237 937 I C 2.829 178.883 176.117 -0.104 0.000 1.059 937 I CA 1.548 62.796 61.300 -0.087 0.000 1.317 937 I CB -1.077 36.882 38.000 -0.069 0.000 1.037 937 I HN 0.434 nan 8.210 nan 0.000 0.398 938 C N 0.600 119.834 119.300 -0.111 0.000 2.393 938 C HA -0.204 4.257 4.460 0.001 0.000 0.276 938 C C 2.741 177.650 174.990 -0.136 0.000 1.215 938 C CA 0.550 59.486 59.018 -0.137 0.000 1.743 938 C CB -1.242 26.423 27.740 -0.125 0.000 2.044 938 C HN 0.534 nan 8.230 nan 0.000 0.464 939 L N 0.934 122.079 121.223 -0.129 0.000 2.351 939 L HA -0.128 4.213 4.340 0.001 0.000 0.220 939 L C 2.214 179.020 176.870 -0.108 0.000 1.127 939 L CA 1.854 56.618 54.840 -0.128 0.000 0.786 939 L CB -0.484 41.476 42.059 -0.165 0.000 0.914 939 L HN 0.305 nan 8.230 nan 0.000 0.443 940 S N -1.950 113.686 115.700 -0.107 0.000 2.506 940 S HA 0.014 4.485 4.470 0.001 0.000 0.230 940 S C 1.706 176.292 174.600 -0.023 0.000 1.066 940 S CA 0.688 58.837 58.200 -0.085 0.000 0.940 940 S CB 0.079 63.205 63.200 -0.124 0.000 0.818 940 S HN 0.387 nan 8.310 nan 0.000 0.518 941 M N 2.337 121.887 119.600 -0.083 0.000 2.144 941 M HA -0.100 4.381 4.480 0.001 0.000 0.260 941 M C 1.941 178.133 176.300 -0.180 0.000 1.067 941 M CA 1.392 56.612 55.300 -0.133 0.000 1.095 941 M CB -0.672 31.768 32.600 -0.267 0.000 1.365 941 M HN 0.159 nan 8.290 nan 0.000 0.406 942 S N -0.030 115.569 115.700 -0.168 0.000 2.343 942 S HA -0.110 4.361 4.470 0.001 0.000 0.219 942 S C 1.622 176.260 174.600 0.063 0.000 1.033 942 S CA 1.305 59.429 58.200 -0.126 0.000 1.014 942 S CB -0.587 62.554 63.200 -0.098 0.000 0.915 942 S HN 0.397 nan 8.310 nan 0.000 0.435 943 L N 1.152 122.459 121.223 0.139 0.000 2.351 943 L HA -0.141 4.200 4.340 0.001 0.000 0.220 943 L C 1.982 179.216 176.870 0.607 0.000 1.127 943 L CA 1.545 56.578 54.840 0.323 0.000 0.786 943 L CB -0.827 41.425 42.059 0.322 0.000 0.914 943 L HN 0.370 nan 8.230 nan 0.000 0.443 944 H N -2.067 117.280 119.070 0.462 0.000 2.306 944 H HA -0.058 4.498 4.556 0.001 0.000 0.307 944 H C 2.011 177.565 175.328 0.378 0.000 1.061 944 H CA 1.293 57.703 56.048 0.603 0.000 1.359 944 H CB -0.123 30.010 29.762 0.618 0.000 1.407 944 H HN 0.100 nan 8.280 nan 0.000 0.517 945 F N 0.855 120.830 119.950 0.042 0.000 2.120 945 F HA -0.212 4.316 4.527 0.001 0.000 0.300 945 F C 2.687 178.371 175.800 -0.194 0.000 1.095 945 F CA 1.273 59.148 58.000 -0.208 0.000 1.249 945 F CB -1.221 37.548 39.000 -0.384 0.000 0.995 945 F HN 0.265 nan 8.300 nan 0.000 0.480 946 L N -0.718 120.554 121.223 0.082 0.000 2.127 946 L HA -0.214 4.127 4.340 0.001 0.000 0.211 946 L C 2.252 179.056 176.870 -0.110 0.000 1.089 946 L CA 1.264 56.104 54.840 -0.001 0.000 0.757 946 L CB -0.365 41.706 42.059 0.021 0.000 0.899 946 L HN 0.073 nan 8.230 nan 0.000 0.434 947 I N -0.481 119.940 120.570 -0.249 0.000 2.500 947 I HA -0.201 3.970 4.170 0.001 0.000 0.252 947 I C 2.036 177.918 176.117 -0.391 0.000 1.142 947 I CA 1.263 62.229 61.300 -0.556 0.000 1.451 947 I CB -0.041 37.286 38.000 -1.121 0.000 1.093 947 I HN 0.203 nan 8.210 nan 0.000 0.430 948 L N -1.511 119.602 121.223 -0.183 0.000 2.095 948 L HA -0.141 4.199 4.340 0.001 0.000 0.204 948 L C 1.910 178.878 176.870 0.164 0.000 1.080 948 L CA 1.014 55.867 54.840 0.021 0.000 0.759 948 L CB -0.579 41.625 42.059 0.240 0.000 0.914 948 L HN 0.196 nan 8.230 nan 0.000 0.439 949 Y N -1.035 119.188 120.300 -0.128 0.000 2.509 949 Y HA 0.125 4.675 4.550 0.001 0.000 0.270 949 Y C 1.151 176.995 175.900 -0.093 0.000 1.103 949 Y CA -0.702 57.337 58.100 -0.102 0.000 1.278 949 Y CB -0.228 38.172 38.460 -0.100 0.000 1.087 949 Y HN -0.247 nan 8.280 nan 0.000 0.542 950 V N 2.234 122.180 119.914 0.052 0.000 2.287 950 V HA -0.032 4.089 4.120 0.001 0.000 0.246 950 V C 0.890 176.954 176.094 -0.049 0.000 1.165 950 V CA -0.150 62.145 62.300 -0.008 0.000 1.088 950 V CB -0.197 31.607 31.823 -0.031 0.000 1.242 950 V HN 0.246 nan 8.190 nan 0.000 0.497 951 D N 5.694 126.069 120.400 -0.041 0.000 2.565 951 D HA -0.227 4.413 4.640 0.001 0.000 0.189 951 D C -0.280 175.988 176.300 -0.052 0.000 1.052 951 D CA 2.603 56.572 54.000 -0.052 0.000 0.889 951 D CB -0.294 40.481 40.800 -0.041 0.000 0.911 951 D HN 0.508 nan 8.370 nan 0.000 0.464 952 P HA -0.074 nan 4.420 nan 0.000 0.234 952 P C 1.131 178.399 177.300 -0.053 0.000 1.167 952 P CA 0.941 64.017 63.100 -0.040 0.000 0.763 952 P CB 0.111 31.792 31.700 -0.032 0.000 0.835 953 L N 0.211 121.374 121.223 -0.100 0.000 2.541 953 L HA 0.203 4.544 4.340 0.001 0.000 0.187 953 L C -0.529 176.225 176.870 -0.193 0.000 1.098 953 L CA 0.278 55.014 54.840 -0.174 0.000 0.846 953 L CB -1.888 39.982 42.059 -0.315 0.000 1.151 953 L HN -0.179 nan 8.230 nan 0.000 0.492 954 P HA -0.239 nan 4.420 nan 0.000 0.223 954 P C 1.541 178.812 177.300 -0.048 0.000 1.140 954 P CA 1.561 64.568 63.100 -0.156 0.000 0.783 954 P CB 0.018 31.638 31.700 -0.133 0.000 0.759 955 M N -0.768 118.816 119.600 -0.026 0.000 2.248 955 M HA 0.021 4.501 4.480 0.001 0.000 0.265 955 M C 2.168 178.512 176.300 0.073 0.000 1.079 955 M CA 0.991 56.299 55.300 0.013 0.000 1.150 955 M CB -0.807 31.795 32.600 0.004 0.000 1.366 955 M HN -0.095 nan 8.290 nan 0.000 0.433 956 I N -0.813 119.829 120.570 0.121 0.000 2.315 956 I HA -0.259 3.911 4.170 0.001 0.000 0.248 956 I C 1.133 177.433 176.117 0.305 0.000 1.117 956 I CA 0.912 62.341 61.300 0.214 0.000 1.404 956 I CB -0.417 37.750 38.000 0.279 0.000 1.071 956 I HN 0.049 nan 8.210 nan 0.000 0.419 957 F N 1.619 121.535 119.950 -0.057 0.000 2.693 957 F HA 0.144 4.672 4.527 0.001 0.000 0.303 957 F C 1.086 176.848 175.800 -0.063 0.000 1.143 957 F CA -0.434 57.521 58.000 -0.076 0.000 1.389 957 F CB -1.029 37.864 39.000 -0.179 0.000 1.060 957 F HN -0.032 nan 8.300 nan 0.000 0.535 958 K N 0.388 120.854 120.400 0.110 0.000 2.975 958 K HA -0.224 4.097 4.320 0.001 0.000 0.257 958 K C -0.197 176.402 176.600 -0.001 0.000 1.005 958 K CA 0.354 56.661 56.287 0.034 0.000 0.738 958 K CB -1.628 30.883 32.500 0.018 0.000 1.236 958 K HN 0.323 nan 8.250 nan 0.000 0.483 959 L N -0.384 120.843 121.223 0.007 0.000 2.331 959 L HA 0.553 4.894 4.340 0.001 0.000 0.268 959 L C -0.115 176.708 176.870 -0.079 0.000 1.015 959 L CA -1.143 53.670 54.840 -0.044 0.000 0.807 959 L CB 1.444 43.483 42.059 -0.035 0.000 1.293 959 L HN -0.146 nan 8.230 nan 0.000 0.451 960 K N 1.258 121.595 120.400 -0.105 0.000 2.687 960 K HA 0.515 4.836 4.320 0.001 0.000 0.249 960 K C -0.788 175.742 176.600 -0.116 0.000 0.994 960 K CA -0.257 55.962 56.287 -0.112 0.000 0.913 960 K CB 1.509 33.939 32.500 -0.116 0.000 1.202 960 K HN 0.618 nan 8.250 nan 0.000 0.460 961 A N 4.198 126.928 122.820 -0.150 0.000 2.616 961 A HA 0.027 4.348 4.320 0.001 0.000 0.242 961 A C -0.416 177.088 177.584 -0.133 0.000 0.987 961 A CA 0.656 52.566 52.037 -0.212 0.000 0.800 961 A CB -0.345 18.294 19.000 -0.602 0.000 0.883 961 A HN 0.656 nan 8.150 nan 0.000 0.496 962 L N 2.286 123.519 121.223 0.017 0.000 2.360 962 L HA 0.485 4.826 4.340 0.001 0.000 0.271 962 L C 0.464 177.453 176.870 0.197 0.000 1.057 962 L CA -0.696 54.178 54.840 0.057 0.000 0.803 962 L CB 1.498 43.496 42.059 -0.102 0.000 1.207 962 L HN 0.897 nan 8.230 nan 0.000 0.445 963 D N 0.324 120.821 120.400 0.162 0.000 2.466 963 D HA 0.154 4.795 4.640 0.001 0.000 0.262 963 D C 0.836 177.297 176.300 0.268 0.000 1.177 963 D CA -0.677 53.430 54.000 0.179 0.000 1.035 963 D CB 0.582 41.442 40.800 0.099 0.000 1.105 963 D HN 0.274 nan 8.370 nan 0.000 0.551 964 L N -0.229 121.117 121.223 0.204 0.000 2.189 964 L HA -0.133 4.207 4.340 0.001 0.000 0.214 964 L C 1.770 178.762 176.870 0.204 0.000 1.097 964 L CA 2.279 57.240 54.840 0.200 0.000 0.764 964 L CB -1.072 41.060 42.059 0.122 0.000 0.900 964 L HN 0.706 nan 8.230 nan 0.000 0.436 965 T N -3.131 111.527 114.554 0.172 0.000 2.976 965 T HA -0.082 4.269 4.350 0.001 0.000 0.257 965 T C 1.704 176.505 174.700 0.168 0.000 1.051 965 T CA 0.632 62.827 62.100 0.157 0.000 1.141 965 T CB -0.213 68.740 68.868 0.142 0.000 0.881 965 T HN 0.393 nan 8.240 nan 0.000 0.461 966 Q N -0.704 119.204 119.800 0.180 0.000 2.437 966 Q HA 0.012 4.353 4.340 0.001 0.000 0.210 966 Q C 1.274 177.278 176.000 0.007 0.000 0.972 966 Q CA 0.808 56.688 55.803 0.129 0.000 0.903 966 Q CB -0.062 28.751 28.738 0.124 0.000 0.967 966 Q HN 0.663 nan 8.270 nan 0.000 0.486 967 W N -0.640 120.713 121.300 0.088 0.000 2.915 967 W HA 0.190 4.851 4.660 0.001 0.000 0.276 967 W C 1.561 178.124 176.519 0.073 0.000 1.215 967 W CA -0.272 57.131 57.345 0.096 0.000 1.514 967 W CB 0.425 29.948 29.460 0.105 0.000 1.017 967 W HN 0.029 nan 8.180 nan 0.000 0.598 968 L N 0.617 122.003 121.223 0.273 0.000 2.395 968 L HA -0.107 4.234 4.340 0.001 0.000 0.218 968 L C 2.060 178.973 176.870 0.071 0.000 1.130 968 L CA 0.713 55.657 54.840 0.174 0.000 0.826 968 L CB -0.014 42.126 42.059 0.134 0.000 0.941 968 L HN 0.049 nan 8.230 nan 0.000 0.451 969 M N -0.947 118.649 119.600 -0.007 0.000 2.102 969 M HA -0.098 4.382 4.480 0.001 0.000 0.259 969 M C 2.023 178.229 176.300 -0.156 0.000 1.083 969 M CA 1.851 57.037 55.300 -0.190 0.000 1.141 969 M CB -0.439 31.904 32.600 -0.429 0.000 1.318 969 M HN -0.045 nan 8.290 nan 0.000 0.421 970 V N 0.825 120.653 119.914 -0.145 0.000 2.357 970 V HA -0.332 3.789 4.120 0.001 0.000 0.257 970 V C 2.439 178.543 176.094 0.018 0.000 1.082 970 V CA 2.029 64.258 62.300 -0.118 0.000 1.078 970 V CB -1.104 30.568 31.823 -0.252 0.000 0.663 970 V HN 0.514 nan 8.190 nan 0.000 0.455 971 L N -0.319 120.968 121.223 0.108 0.000 1.973 971 L HA -0.140 4.200 4.340 0.001 0.000 0.208 971 L C 2.448 179.350 176.870 0.054 0.000 1.073 971 L CA 2.181 57.095 54.840 0.124 0.000 0.746 971 L CB -0.658 41.495 42.059 0.158 0.000 0.891 971 L HN 0.191 nan 8.230 nan 0.000 0.433 972 K N -0.799 119.613 120.400 0.019 0.000 2.442 972 K HA -0.152 4.169 4.320 0.001 0.000 0.198 972 K C 1.862 178.449 176.600 -0.023 0.000 1.044 972 K CA 0.664 56.950 56.287 -0.002 0.000 0.948 972 K CB 0.046 32.534 32.500 -0.020 0.000 0.762 972 K HN 0.229 nan 8.250 nan 0.000 0.472 973 I N -0.114 120.425 120.570 -0.053 0.000 2.867 973 I HA -0.082 4.089 4.170 0.001 0.000 0.265 973 I C 1.214 177.332 176.117 0.002 0.000 1.162 973 I CA 1.130 62.389 61.300 -0.068 0.000 1.471 973 I CB 0.086 38.000 38.000 -0.143 0.000 1.123 973 I HN 0.041 nan 8.210 nan 0.000 0.440 974 S N 0.265 115.983 115.700 0.030 0.000 2.499 974 S HA 0.045 4.515 4.470 0.001 0.000 0.225 974 S C 1.658 176.308 174.600 0.083 0.000 1.050 974 S CA -0.122 58.119 58.200 0.069 0.000 0.928 974 S CB 0.130 63.367 63.200 0.062 0.000 0.803 974 S HN 0.220 nan 8.310 nan 0.000 0.506 975 L N 3.285 124.549 121.223 0.068 0.000 2.191 975 L HA 0.031 4.371 4.340 0.001 0.000 0.212 975 L C -1.213 175.683 176.870 0.045 0.000 1.103 975 L CA 1.399 56.273 54.840 0.056 0.000 0.769 975 L CB -1.095 40.997 42.059 0.054 0.000 0.908 975 L HN 0.178 nan 8.230 nan 0.000 0.438 976 P HA -0.088 nan 4.420 nan 0.000 0.242 976 P C 1.791 179.076 177.300 -0.025 0.000 1.197 976 P CA 0.640 63.767 63.100 0.045 0.000 0.765 976 P CB 0.054 31.812 31.700 0.097 0.000 0.936 977 V N 0.147 120.052 119.914 -0.014 0.000 2.379 977 V HA -0.177 3.944 4.120 0.001 0.000 0.245 977 V C 2.277 178.299 176.094 -0.120 0.000 1.044 977 V CA 1.220 63.439 62.300 -0.135 0.000 1.036 977 V CB -0.800 31.009 31.823 -0.023 0.000 0.664 977 V HN -0.122 nan 8.190 nan 0.000 0.453 978 I N 1.365 121.904 120.570 -0.051 0.000 2.068 978 I HA -0.233 3.938 4.170 0.001 0.000 0.238 978 I C 2.793 178.879 176.117 -0.051 0.000 1.046 978 I CA 2.201 63.477 61.300 -0.039 0.000 1.306 978 I CB -2.186 35.805 38.000 -0.015 0.000 1.023 978 I HN 0.419 nan 8.210 nan 0.000 0.399 979 G N 1.182 109.955 108.800 -0.046 0.000 2.556 979 G HA2 -0.311 3.650 3.960 0.001 0.000 0.220 979 G HA3 -0.311 3.650 3.960 0.001 0.000 0.220 979 G C 1.726 176.585 174.900 -0.069 0.000 1.156 979 G CA 1.399 46.471 45.100 -0.046 0.000 0.766 979 G HN 0.342 nan 8.290 nan 0.000 0.583 980 L N 0.815 121.956 121.223 -0.137 0.000 1.937 980 L HA -0.040 4.301 4.340 0.001 0.000 0.213 980 L C 2.411 179.217 176.870 -0.107 0.000 1.077 980 L CA 2.820 57.556 54.840 -0.172 0.000 0.758 980 L CB -0.975 40.858 42.059 -0.376 0.000 0.888 980 L HN 0.340 nan 8.230 nan 0.000 0.433 981 D N -0.813 119.507 120.400 -0.133 0.000 2.191 981 D HA -0.323 4.318 4.640 0.001 0.000 0.195 981 D C 1.862 178.168 176.300 0.010 0.000 1.003 981 D CA 1.714 55.670 54.000 -0.074 0.000 0.867 981 D CB 0.068 40.818 40.800 -0.084 0.000 0.926 981 D HN 0.541 nan 8.370 nan 0.000 0.450 982 E N -0.150 120.054 120.200 0.007 0.000 2.333 982 E HA -0.101 4.250 4.350 0.001 0.000 0.198 982 E C 2.052 178.722 176.600 0.116 0.000 1.007 982 E CA 0.564 56.993 56.400 0.049 0.000 0.845 982 E CB -0.105 29.605 29.700 0.018 0.000 0.766 982 E HN 0.516 nan 8.360 nan 0.000 0.507 983 I N -0.733 119.902 120.570 0.107 0.000 2.385 983 I HA -0.147 4.024 4.170 0.001 0.000 0.244 983 I C 2.040 178.342 176.117 0.308 0.000 1.089 983 I CA 0.346 61.759 61.300 0.188 0.000 1.410 983 I CB -0.230 37.835 38.000 0.108 0.000 1.117 983 I HN 0.063 nan 8.210 nan 0.000 0.429 984 L N 0.861 122.223 121.223 0.231 0.000 2.013 984 L HA -0.273 4.068 4.340 0.001 0.000 0.212 984 L C 2.580 179.691 176.870 0.402 0.000 1.073 984 L CA 1.747 56.790 54.840 0.339 0.000 0.753 984 L CB -0.858 41.283 42.059 0.136 0.000 0.890 984 L HN 0.240 nan 8.230 nan 0.000 0.432 985 K N -0.393 120.167 120.400 0.267 0.000 2.009 985 K HA -0.228 4.092 4.320 0.001 0.000 0.210 985 K C 2.085 178.811 176.600 0.210 0.000 1.049 985 K CA 1.836 58.256 56.287 0.223 0.000 0.929 985 K CB -0.408 32.180 32.500 0.147 0.000 0.714 985 K HN 0.092 nan 8.250 nan 0.000 0.440 986 F N 2.199 122.220 119.950 0.118 0.000 2.065 986 F HA -0.269 4.258 4.527 0.001 0.000 0.298 986 F C 1.856 177.733 175.800 0.128 0.000 1.112 986 F CA 1.438 59.496 58.000 0.096 0.000 1.212 986 F CB -0.350 38.709 39.000 0.097 0.000 0.975 986 F HN -0.074 nan 8.300 nan 0.000 0.476 987 I N 0.657 121.389 120.570 0.271 0.000 2.043 987 I HA -0.428 3.743 4.170 0.001 0.000 0.231 987 I C 2.813 178.923 176.117 -0.013 0.000 1.024 987 I CA 1.697 63.157 61.300 0.267 0.000 1.309 987 I CB -1.371 36.882 38.000 0.421 0.000 1.030 987 I HN 0.298 nan 8.210 nan 0.000 0.389 988 A N 0.633 123.452 122.820 -0.001 0.000 1.909 988 A HA -0.357 3.963 4.320 0.001 0.000 0.221 988 A C 2.391 179.874 177.584 -0.168 0.000 1.223 988 A CA 2.664 54.595 52.037 -0.177 0.000 0.658 988 A CB -1.084 17.949 19.000 0.055 0.000 0.831 988 A HN 0.500 nan 8.150 nan 0.000 0.462 989 R N -0.941 119.474 120.500 -0.140 0.000 2.211 989 R HA -0.181 4.160 4.340 0.001 0.000 0.240 989 R C 0.929 177.045 176.300 -0.307 0.000 1.144 989 R CA 1.877 57.863 56.100 -0.190 0.000 0.992 989 R CB -0.139 30.058 30.300 -0.171 0.000 0.869 989 R HN 0.720 nan 8.270 nan 0.000 0.462 990 N N -2.300 116.129 118.700 -0.453 0.000 2.324 990 N HA -0.011 4.730 4.740 0.001 0.000 0.235 990 N C 0.790 175.991 175.510 -0.514 0.000 1.162 990 N CA 0.332 53.047 53.050 -0.557 0.000 0.834 990 N CB -0.016 37.943 38.487 -0.881 0.000 1.354 990 N HN 0.110 nan 8.380 nan 0.000 0.471 991 Y N 1.896 122.046 120.300 -0.250 0.000 2.301 991 Y HA 0.275 4.826 4.550 0.001 0.000 0.295 991 Y C 2.328 178.104 175.900 -0.207 0.000 1.126 991 Y CA 0.375 58.364 58.100 -0.187 0.000 1.154 991 Y CB -0.338 38.035 38.460 -0.145 0.000 1.075 991 Y HN -0.140 nan 8.280 nan 0.000 0.534 992 L N -0.366 120.772 121.223 -0.141 0.000 1.950 992 L HA -0.139 4.202 4.340 0.001 0.000 0.210 992 L C 2.397 179.151 176.870 -0.193 0.000 1.079 992 L CA 1.325 56.008 54.840 -0.262 0.000 0.754 992 L CB -0.590 41.136 42.059 -0.555 0.000 0.889 992 L HN 0.076 nan 8.230 nan 0.000 0.433 993 E N 0.289 120.374 120.200 -0.191 0.000 2.106 993 E HA 0.037 4.388 4.350 0.001 0.000 0.192 993 E C 1.089 177.626 176.600 -0.105 0.000 0.984 993 E CA 0.880 57.202 56.400 -0.129 0.000 0.806 993 E CB -0.307 29.329 29.700 -0.107 0.000 0.750 993 E HN 0.526 nan 8.360 nan 0.000 0.458 994 G N 0.000 108.727 108.800 -0.122 0.000 5.446 994 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 994 G CA 0.000 45.035 45.100 -0.109 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925