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 2zbe_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.199 176.300 -0.168 0.000 1.140 1 M CA 0.000 55.106 55.300 -0.323 0.000 0.988 1 M CB 0.000 32.193 32.600 -0.678 0.000 1.302 2 E N 1.339 121.486 120.200 -0.088 0.000 2.408 2 E HA 0.520 4.867 4.350 -0.005 0.000 0.259 2 E C 1.032 177.590 176.600 -0.070 0.000 1.110 2 E CA 1.102 57.489 56.400 -0.021 0.000 0.929 2 E CB 0.710 30.421 29.700 0.018 0.000 0.971 2 E HN 0.770 nan 8.360 nan 0.000 0.438 3 A N 0.962 123.777 122.820 -0.009 0.000 3.383 3 A HA -0.292 4.025 4.320 -0.005 0.000 0.264 3 A C 1.591 179.017 177.584 -0.263 0.000 1.154 3 A CA 1.194 53.142 52.037 -0.148 0.000 1.179 3 A CB -2.313 16.601 19.000 -0.143 0.000 1.133 3 A HN 0.732 nan 8.150 nan 0.000 0.933 4 A N 0.356 123.096 122.820 -0.133 0.000 1.978 4 A HA -0.148 4.169 4.320 -0.005 0.000 0.220 4 A C 1.806 179.334 177.584 -0.093 0.000 1.170 4 A CA 2.129 54.097 52.037 -0.114 0.000 0.636 4 A CB -1.113 17.865 19.000 -0.037 0.000 0.810 4 A HN 1.593 nan 8.150 nan 0.000 0.448 5 H N -0.085 118.976 119.070 -0.016 0.000 2.456 5 H HA -0.071 4.482 4.556 -0.005 0.000 0.296 5 H C 1.851 177.187 175.328 0.013 0.000 1.079 5 H CA 1.749 57.797 56.048 -0.000 0.000 1.322 5 H CB -0.633 29.140 29.762 0.020 0.000 1.388 5 H HN 0.556 nan 8.280 nan 0.000 0.538 6 S N -0.151 115.150 115.700 -0.666 0.000 2.496 6 S HA 0.084 4.551 4.470 -0.005 0.000 0.224 6 S C 0.830 175.337 174.600 -0.155 0.000 0.996 6 S CA -0.162 57.831 58.200 -0.346 0.000 0.927 6 S CB 0.215 63.169 63.200 -0.411 0.000 0.774 6 S HN 0.067 nan 8.310 nan 0.000 0.524 7 K N 2.893 123.203 120.400 -0.150 0.000 2.087 7 K HA 0.514 4.831 4.320 -0.005 0.000 0.255 7 K C 0.479 177.061 176.600 -0.029 0.000 0.988 7 K CA -0.382 55.859 56.287 -0.077 0.000 0.915 7 K CB 1.294 33.741 32.500 -0.088 0.000 1.043 7 K HN 0.353 nan 8.250 nan 0.000 0.457 8 S N -0.708 114.987 115.700 -0.007 0.000 2.634 8 S HA 0.058 4.525 4.470 -0.005 0.000 0.261 8 S C 1.301 175.914 174.600 0.022 0.000 1.271 8 S CA 0.268 58.476 58.200 0.013 0.000 0.985 8 S CB 0.674 63.883 63.200 0.015 0.000 0.968 8 S HN 0.689 nan 8.310 nan 0.000 0.568 9 T N -0.673 113.898 114.554 0.028 0.000 2.708 9 T HA -0.129 4.218 4.350 -0.005 0.000 0.266 9 T C 1.324 176.051 174.700 0.046 0.000 1.037 9 T CA 1.561 63.682 62.100 0.036 0.000 1.146 9 T CB -1.005 67.881 68.868 0.030 0.000 0.865 9 T HN 0.708 nan 8.240 nan 0.000 0.435 10 E N 1.786 122.009 120.200 0.038 0.000 2.085 10 E HA -0.095 4.252 4.350 -0.005 0.000 0.194 10 E C 2.271 178.906 176.600 0.058 0.000 0.994 10 E CA 1.430 57.856 56.400 0.044 0.000 0.801 10 E CB -0.432 29.286 29.700 0.031 0.000 0.743 10 E HN 0.701 nan 8.360 nan 0.000 0.453 11 E N -0.042 120.188 120.200 0.049 0.000 2.085 11 E HA -0.178 4.169 4.350 -0.005 0.000 0.194 11 E C 2.006 178.663 176.600 0.095 0.000 0.994 11 E CA 1.307 57.742 56.400 0.057 0.000 0.801 11 E CB -0.214 29.502 29.700 0.026 0.000 0.743 11 E HN 0.296 nan 8.360 nan 0.000 0.453 12 C N 0.547 119.901 119.300 0.090 0.000 2.440 12 C HA -0.058 4.399 4.460 -0.005 0.000 0.278 12 C C 2.593 177.742 174.990 0.265 0.000 1.295 12 C CA 0.270 59.378 59.018 0.150 0.000 1.738 12 C CB -0.832 26.977 27.740 0.115 0.000 1.987 12 C HN 0.381 nan 8.230 nan 0.000 0.492 13 L N 1.099 122.432 121.223 0.184 0.000 2.027 13 L HA -0.131 4.207 4.340 -0.005 0.000 0.206 13 L C 2.935 179.920 176.870 0.192 0.000 1.074 13 L CA 1.652 56.603 54.840 0.186 0.000 0.745 13 L CB -0.881 41.242 42.059 0.107 0.000 0.898 13 L HN 0.314 nan 8.230 nan 0.000 0.433 14 A N -0.514 122.389 122.820 0.138 0.000 1.883 14 A HA -0.324 3.993 4.320 -0.005 0.000 0.217 14 A C 2.214 179.857 177.584 0.099 0.000 1.186 14 A CA 1.851 53.947 52.037 0.100 0.000 0.624 14 A CB -1.152 17.889 19.000 0.068 0.000 0.822 14 A HN 0.486 nan 8.150 nan 0.000 0.444 15 Y N -0.760 119.528 120.300 -0.020 0.000 2.139 15 Y HA -0.279 4.268 4.550 -0.005 0.000 0.282 15 Y C 1.594 177.365 175.900 -0.216 0.000 1.179 15 Y CA 2.324 60.327 58.100 -0.162 0.000 1.161 15 Y CB -0.326 37.964 38.460 -0.283 0.000 0.970 15 Y HN 0.295 nan 8.280 nan 0.000 0.511 16 F N -0.427 119.638 119.950 0.190 0.000 2.695 16 F HA 0.301 4.825 4.527 -0.005 0.000 0.303 16 F C 1.615 177.490 175.800 0.126 0.000 1.091 16 F CA 0.326 58.426 58.000 0.166 0.000 1.300 16 F CB 0.114 39.276 39.000 0.271 0.000 1.071 16 F HN 0.057 nan 8.300 nan 0.000 0.578 17 G N 2.218 111.145 108.800 0.211 0.000 2.371 17 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.299 17 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.299 17 G C -0.445 174.542 174.900 0.145 0.000 1.014 17 G CA 0.496 45.679 45.100 0.138 0.000 1.097 17 G HN 0.334 nan 8.290 nan 0.000 0.512 18 V N -0.297 119.710 119.914 0.155 0.000 2.823 18 V HA 0.858 4.975 4.120 -0.005 0.000 0.312 18 V C 0.512 176.645 176.094 0.065 0.000 1.072 18 V CA -0.044 62.316 62.300 0.099 0.000 0.937 18 V CB 2.130 34.010 31.823 0.096 0.000 1.013 18 V HN 1.165 nan 8.190 nan 0.000 0.430 19 S N 3.383 119.103 115.700 0.034 0.000 2.499 19 S HA 0.227 4.695 4.470 -0.005 0.000 0.275 19 S C 0.923 175.526 174.600 0.005 0.000 1.257 19 S CA 0.429 58.639 58.200 0.017 0.000 1.050 19 S CB 1.049 64.251 63.200 0.004 0.000 0.937 19 S HN 0.985 nan 8.310 nan 0.000 0.490 20 E N 2.733 122.932 120.200 -0.002 0.000 2.268 20 E HA -0.128 4.219 4.350 -0.005 0.000 0.195 20 E C 1.588 178.148 176.600 -0.067 0.000 0.995 20 E CA 1.607 57.994 56.400 -0.021 0.000 0.836 20 E CB -0.109 29.581 29.700 -0.016 0.000 0.763 20 E HN 0.933 nan 8.360 nan 0.000 0.491 21 T N -2.600 111.913 114.554 -0.068 0.000 2.978 21 T HA -0.058 4.289 4.350 -0.005 0.000 0.262 21 T C 1.990 176.620 174.700 -0.117 0.000 1.063 21 T CA 1.309 63.342 62.100 -0.111 0.000 1.140 21 T CB -0.082 68.739 68.868 -0.078 0.000 0.886 21 T HN 0.187 nan 8.240 nan 0.000 0.470 22 T N -2.138 112.383 114.554 -0.054 0.000 2.978 22 T HA 0.540 4.887 4.350 -0.005 0.000 0.248 22 T C 1.297 176.011 174.700 0.022 0.000 1.018 22 T CA 0.546 62.635 62.100 -0.018 0.000 1.026 22 T CB -0.178 68.686 68.868 -0.006 0.000 1.032 22 T HN 1.186 nan 8.240 nan 0.000 0.485 23 G N 1.532 110.340 108.800 0.014 0.000 2.757 23 G HA2 -0.064 3.893 3.960 -0.005 0.000 0.638 23 G HA3 -0.064 3.893 3.960 -0.005 0.000 0.638 23 G C -0.699 174.200 174.900 -0.003 0.000 1.344 23 G CA -0.628 44.487 45.100 0.025 0.000 0.855 23 G HN 0.640 nan 8.290 nan 0.000 0.537 24 L N 0.924 122.127 121.223 -0.033 0.000 2.483 24 L HA 0.393 4.730 4.340 -0.005 0.000 0.276 24 L C 1.824 178.660 176.870 -0.057 0.000 1.213 24 L CA 0.365 55.161 54.840 -0.074 0.000 0.843 24 L CB 0.363 42.330 42.059 -0.154 0.000 1.107 24 L HN 1.000 nan 8.230 nan 0.000 0.487 25 T N -1.265 113.253 114.554 -0.060 0.000 2.913 25 T HA 0.243 4.590 4.350 -0.005 0.000 0.287 25 T C -1.564 173.104 174.700 -0.053 0.000 1.008 25 T CA -1.835 60.241 62.100 -0.040 0.000 1.067 25 T CB 1.316 70.167 68.868 -0.027 0.000 0.996 25 T HN 0.476 nan 8.240 nan 0.000 0.513 26 P HA -0.099 nan 4.420 nan 0.000 0.226 26 P C 0.653 177.932 177.300 -0.035 0.000 1.146 26 P CA 1.075 64.153 63.100 -0.036 0.000 0.773 26 P CB 0.127 31.813 31.700 -0.023 0.000 0.772 27 D N -0.287 120.093 120.400 -0.033 0.000 2.162 27 D HA -0.101 4.536 4.640 -0.005 0.000 0.205 27 D C 2.184 178.465 176.300 -0.031 0.000 0.964 27 D CA 0.908 54.895 54.000 -0.021 0.000 0.847 27 D CB -0.243 40.551 40.800 -0.009 0.000 0.988 27 D HN 0.056 nan 8.370 nan 0.000 0.480 28 Q N -0.223 119.532 119.800 -0.076 0.000 2.079 28 Q HA -0.084 4.253 4.340 -0.005 0.000 0.200 28 Q C 2.333 178.185 176.000 -0.248 0.000 0.974 28 Q CA 1.050 56.751 55.803 -0.169 0.000 0.840 28 Q CB 0.115 28.693 28.738 -0.267 0.000 0.898 28 Q HN 0.205 nan 8.270 nan 0.000 0.430 29 V N 1.503 121.308 119.914 -0.181 0.000 2.255 29 V HA -0.319 3.798 4.120 -0.005 0.000 0.247 29 V C 2.289 178.369 176.094 -0.024 0.000 1.051 29 V CA 2.116 64.346 62.300 -0.118 0.000 1.018 29 V CB -0.581 31.191 31.823 -0.085 0.000 0.641 29 V HN 0.297 nan 8.190 nan 0.000 0.445 30 K N 0.605 120.995 120.400 -0.017 0.000 2.074 30 K HA -0.202 4.115 4.320 -0.005 0.000 0.209 30 K C 2.180 178.810 176.600 0.049 0.000 1.048 30 K CA 1.766 58.059 56.287 0.010 0.000 0.926 30 K CB -0.405 32.098 32.500 0.006 0.000 0.713 30 K HN 0.357 nan 8.250 nan 0.000 0.444 31 R N -0.951 119.596 120.500 0.079 0.000 2.073 31 R HA -0.033 4.304 4.340 -0.005 0.000 0.229 31 R C 2.455 178.886 176.300 0.219 0.000 1.120 31 R CA 1.671 57.851 56.100 0.133 0.000 0.967 31 R CB -0.425 29.972 30.300 0.162 0.000 0.862 31 R HN 0.537 nan 8.270 nan 0.000 0.436 32 H N 0.194 119.321 119.070 0.094 0.000 2.389 32 H HA -0.068 4.485 4.556 -0.005 0.000 0.299 32 H C 2.249 177.695 175.328 0.198 0.000 1.081 32 H CA 0.760 56.942 56.048 0.224 0.000 1.345 32 H CB 0.133 30.060 29.762 0.275 0.000 1.393 32 H HN 0.141 nan 8.280 nan 0.000 0.520 33 L N 0.633 121.976 121.223 0.201 0.000 2.083 33 L HA -0.188 4.149 4.340 -0.005 0.000 0.209 33 L C 2.620 179.542 176.870 0.087 0.000 1.083 33 L CA 1.193 56.078 54.840 0.076 0.000 0.752 33 L CB -0.122 41.902 42.059 -0.058 0.000 0.899 33 L HN 0.267 nan 8.230 nan 0.000 0.433 34 E N 0.559 120.800 120.200 0.068 0.000 2.072 34 E HA -0.268 4.080 4.350 -0.005 0.000 0.191 34 E C 2.124 178.714 176.600 -0.017 0.000 0.985 34 E CA 1.450 57.872 56.400 0.037 0.000 0.801 34 E CB 0.005 29.720 29.700 0.025 0.000 0.750 34 E HN 0.198 nan 8.360 nan 0.000 0.452 35 K N -1.511 118.829 120.400 -0.101 0.000 2.305 35 K HA -0.061 4.256 4.320 -0.005 0.000 0.199 35 K C 0.601 176.930 176.600 -0.451 0.000 1.047 35 K CA 0.833 56.916 56.287 -0.339 0.000 0.976 35 K CB 0.130 32.283 32.500 -0.579 0.000 0.765 35 K HN 0.266 nan 8.250 nan 0.000 0.474 36 Y N -0.643 119.695 120.300 0.064 0.000 2.499 36 Y HA 0.244 4.791 4.550 -0.005 0.000 0.253 36 Y C 0.682 176.632 175.900 0.084 0.000 1.105 36 Y CA -0.154 57.989 58.100 0.071 0.000 1.240 36 Y CB 1.518 40.025 38.460 0.078 0.000 1.289 36 Y HN 0.184 nan 8.280 nan 0.000 0.534 37 G N 0.762 109.692 108.800 0.217 0.000 2.877 37 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.279 37 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.279 37 G C -0.819 174.232 174.900 0.252 0.000 1.431 37 G CA -0.597 44.655 45.100 0.254 0.000 0.883 37 G HN 0.373 nan 8.290 nan 0.000 0.547 38 H N -0.357 118.760 119.070 0.077 0.000 2.730 38 H HA 0.388 4.941 4.556 -0.005 0.000 0.376 38 H C 1.061 176.420 175.328 0.052 0.000 1.299 38 H CA 0.416 56.499 56.048 0.058 0.000 1.447 38 H CB 0.377 30.162 29.762 0.038 0.000 1.493 38 H HN 0.670 nan 8.280 nan 0.000 0.619 39 N N 1.832 120.613 118.700 0.135 0.000 2.439 39 N HA 0.125 4.862 4.740 -0.005 0.000 0.243 39 N C -1.352 174.207 175.510 0.081 0.000 1.088 39 N CA -0.231 52.867 53.050 0.079 0.000 0.940 39 N CB -0.116 38.391 38.487 0.033 0.000 1.180 39 N HN 0.708 nan 8.380 nan 0.000 0.505 40 E N 1.953 122.198 120.200 0.075 0.000 2.412 40 E HA 0.089 4.436 4.350 -0.005 0.000 0.283 40 E C -1.444 175.183 176.600 0.044 0.000 1.160 40 E CA -0.930 55.503 56.400 0.054 0.000 0.918 40 E CB 0.036 29.769 29.700 0.055 0.000 1.194 40 E HN 0.051 nan 8.360 nan 0.000 0.428 41 L N 1.550 122.791 121.223 0.030 0.000 2.439 41 L HA 0.280 4.617 4.340 -0.005 0.000 0.269 41 L C -1.892 174.988 176.870 0.016 0.000 1.179 41 L CA -1.800 53.053 54.840 0.022 0.000 0.828 41 L CB -0.627 41.441 42.059 0.015 0.000 1.106 41 L HN 0.521 nan 8.230 nan 0.000 0.467 42 P HA 0.061 nan 4.420 nan 0.000 0.263 42 P C -0.224 177.077 177.300 0.002 0.000 1.345 42 P CA -0.388 62.717 63.100 0.008 0.000 1.119 42 P CB -0.115 31.590 31.700 0.009 0.000 1.363 43 A N 3.582 126.401 122.820 -0.002 0.000 2.062 43 A HA -0.203 4.114 4.320 -0.005 0.000 0.330 43 A C 0.774 178.357 177.584 -0.002 0.000 0.781 43 A CA 0.709 52.743 52.037 -0.004 0.000 1.457 43 A CB -0.580 18.414 19.000 -0.009 0.000 0.630 43 A HN 0.452 nan 8.150 nan 0.000 0.241 44 E N 1.721 121.920 120.200 -0.001 0.000 4.495 44 E HA 0.443 4.790 4.350 -0.005 0.000 0.377 44 E C 0.318 176.916 176.600 -0.002 0.000 1.395 44 E CA 0.162 56.561 56.400 -0.002 0.000 2.229 44 E CB -0.001 29.698 29.700 -0.003 0.000 1.608 44 E HN 0.732 nan 8.360 nan 0.000 0.797 45 E N -0.839 119.358 120.200 -0.004 0.000 2.613 45 E HA -0.140 4.207 4.350 -0.005 0.000 0.161 45 E C 0.115 176.715 176.600 -0.000 0.000 1.664 45 E CA 0.423 56.820 56.400 -0.005 0.000 0.661 45 E CB -1.590 28.108 29.700 -0.004 0.000 1.098 45 E HN 0.516 nan 8.360 nan 0.000 0.364 46 G N 1.492 110.292 108.800 -0.000 0.000 2.624 46 G HA2 0.346 4.303 3.960 -0.005 0.000 0.217 46 G HA3 0.346 4.303 3.960 -0.005 0.000 0.217 46 G C -0.478 174.428 174.900 0.010 0.000 1.506 46 G CA -0.357 44.747 45.100 0.006 0.000 1.072 46 G HN 0.354 nan 8.290 nan 0.000 0.568 47 K N -0.176 120.233 120.400 0.015 0.000 5.307 47 K HA -0.161 4.156 4.320 -0.005 0.000 0.461 47 K C 0.625 177.244 176.600 0.032 0.000 1.070 47 K CA 0.400 56.700 56.287 0.020 0.000 1.173 47 K CB -0.939 31.561 32.500 0.000 0.000 1.918 47 K HN 0.770 nan 8.250 nan 0.000 0.321 48 S N 1.986 117.723 115.700 0.062 0.000 2.617 48 S HA 0.194 4.661 4.470 -0.005 0.000 0.259 48 S C 1.267 175.927 174.600 0.099 0.000 1.301 48 S CA -0.753 57.499 58.200 0.086 0.000 0.984 48 S CB 0.885 64.160 63.200 0.125 0.000 0.954 48 S HN 0.443 nan 8.310 nan 0.000 0.572 49 L N 0.640 121.933 121.223 0.118 0.000 2.127 49 L HA -0.003 4.334 4.340 -0.005 0.000 0.211 49 L C 2.055 179.020 176.870 0.158 0.000 1.089 49 L CA 1.608 56.519 54.840 0.118 0.000 0.757 49 L CB -0.782 41.358 42.059 0.134 0.000 0.899 49 L HN 0.849 nan 8.230 nan 0.000 0.434 50 W N 0.140 121.449 121.300 0.015 0.000 2.441 50 W HA -0.132 4.525 4.660 -0.005 0.000 0.302 50 W C 2.124 178.654 176.519 0.019 0.000 1.191 50 W CA 0.897 58.256 57.345 0.023 0.000 1.327 50 W CB 0.200 29.675 29.460 0.024 0.000 1.128 50 W HN 0.140 nan 8.180 nan 0.000 0.522 51 E N 1.061 121.336 120.200 0.125 0.000 2.097 51 E HA -0.247 4.100 4.350 -0.005 0.000 0.196 51 E C 2.197 178.753 176.600 -0.074 0.000 1.000 51 E CA 1.717 58.134 56.400 0.028 0.000 0.804 51 E CB -1.118 28.617 29.700 0.058 0.000 0.740 51 E HN 0.425 nan 8.360 nan 0.000 0.454 52 L N 0.398 121.577 121.223 -0.073 0.000 1.989 52 L HA -0.188 4.149 4.340 -0.005 0.000 0.211 52 L C 2.613 179.362 176.870 -0.203 0.000 1.071 52 L CA 1.239 56.012 54.840 -0.111 0.000 0.749 52 L CB -1.061 40.949 42.059 -0.082 0.000 0.890 52 L HN 0.002 nan 8.230 nan 0.000 0.431 53 V N 0.248 120.000 119.914 -0.271 0.000 2.332 53 V HA -0.290 3.827 4.120 -0.005 0.000 0.248 53 V C 2.415 178.298 176.094 -0.351 0.000 1.055 53 V CA 1.806 63.867 62.300 -0.398 0.000 1.038 53 V CB -0.472 31.109 31.823 -0.402 0.000 0.651 53 V HN 0.309 nan 8.190 nan 0.000 0.450 54 I N 0.961 121.344 120.570 -0.312 0.000 2.099 54 I HA -0.308 3.859 4.170 -0.005 0.000 0.239 54 I C 2.751 178.816 176.117 -0.086 0.000 1.066 54 I CA 2.379 63.570 61.300 -0.182 0.000 1.324 54 I CB -0.485 37.405 38.000 -0.183 0.000 1.037 54 I HN 0.524 nan 8.210 nan 0.000 0.401 55 E N 0.162 120.296 120.200 -0.110 0.000 2.208 55 E HA -0.206 4.141 4.350 -0.005 0.000 0.193 55 E C 2.006 178.537 176.600 -0.116 0.000 0.988 55 E CA 0.453 56.806 56.400 -0.079 0.000 0.828 55 E CB -0.293 29.366 29.700 -0.068 0.000 0.763 55 E HN 0.484 nan 8.360 nan 0.000 0.478 56 Q N 0.458 120.121 119.800 -0.227 0.000 2.030 56 Q HA -0.143 4.194 4.340 -0.005 0.000 0.204 56 Q C 1.929 177.751 176.000 -0.297 0.000 0.986 56 Q CA 1.431 57.027 55.803 -0.344 0.000 0.843 56 Q CB -0.358 28.010 28.738 -0.616 0.000 0.904 56 Q HN 0.381 nan 8.270 nan 0.000 0.420 57 F N 1.251 121.149 119.950 -0.087 0.000 2.451 57 F HA -0.054 4.470 4.527 -0.005 0.000 0.299 57 F C 1.637 177.402 175.800 -0.059 0.000 1.101 57 F CA 0.582 58.536 58.000 -0.076 0.000 1.436 57 F CB -0.220 38.722 39.000 -0.097 0.000 1.074 57 F HN 0.133 nan 8.300 nan 0.000 0.553 58 E N 0.455 120.706 120.200 0.085 0.000 2.405 58 E HA -0.085 4.262 4.350 -0.005 0.000 0.194 58 E C -0.034 176.581 176.600 0.025 0.000 1.149 58 E CA -0.080 56.346 56.400 0.044 0.000 0.933 58 E CB -0.496 29.212 29.700 0.013 0.000 1.028 58 E HN 0.285 nan 8.360 nan 0.000 0.487 59 D N 0.300 120.719 120.400 0.033 0.000 2.255 59 D HA -0.023 4.614 4.640 -0.005 0.000 0.249 59 D C 0.857 177.176 176.300 0.033 0.000 1.078 59 D CA -0.489 53.525 54.000 0.023 0.000 0.896 59 D CB 1.273 42.084 40.800 0.018 0.000 1.194 59 D HN -0.112 nan 8.370 nan 0.000 0.429 60 L N 4.029 125.268 121.223 0.026 0.000 1.989 60 L HA -0.134 4.203 4.340 -0.005 0.000 0.211 60 L C 1.875 178.756 176.870 0.019 0.000 1.071 60 L CA 1.748 56.600 54.840 0.021 0.000 0.749 60 L CB -0.680 41.391 42.059 0.021 0.000 0.890 60 L HN 0.687 nan 8.230 nan 0.000 0.431 61 L N -1.814 119.425 121.223 0.027 0.000 2.046 61 L HA -0.188 4.149 4.340 -0.005 0.000 0.208 61 L C 2.419 179.304 176.870 0.025 0.000 1.077 61 L CA 1.088 55.941 54.840 0.021 0.000 0.747 61 L CB -0.921 41.161 42.059 0.039 0.000 0.896 61 L HN 0.149 nan 8.230 nan 0.000 0.432 62 V N -0.112 119.830 119.914 0.046 0.000 2.343 62 V HA -0.263 3.854 4.120 -0.005 0.000 0.247 62 V C 2.661 178.787 176.094 0.054 0.000 1.051 62 V CA 1.653 63.998 62.300 0.075 0.000 1.036 62 V CB -0.688 31.225 31.823 0.149 0.000 0.654 62 V HN 0.395 nan 8.190 nan 0.000 0.451 63 R N -0.344 120.182 120.500 0.043 0.000 2.070 63 R HA -0.097 4.240 4.340 -0.005 0.000 0.233 63 R C 2.330 178.626 176.300 -0.007 0.000 1.137 63 R CA 1.836 57.945 56.100 0.015 0.000 0.945 63 R CB -0.437 29.872 30.300 0.015 0.000 0.845 63 R HN 0.425 nan 8.270 nan 0.000 0.430 64 I N 0.580 121.146 120.570 -0.008 0.000 2.151 64 I HA -0.337 3.830 4.170 -0.005 0.000 0.243 64 I C 2.223 178.325 176.117 -0.024 0.000 1.080 64 I CA 1.075 62.362 61.300 -0.022 0.000 1.339 64 I CB -0.273 37.709 38.000 -0.030 0.000 1.039 64 I HN 0.169 nan 8.210 nan 0.000 0.409 65 L N 0.133 121.346 121.223 -0.016 0.000 2.017 65 L HA -0.210 4.127 4.340 -0.005 0.000 0.208 65 L C 2.288 179.145 176.870 -0.022 0.000 1.073 65 L CA 1.695 56.526 54.840 -0.016 0.000 0.745 65 L CB -0.885 41.172 42.059 -0.004 0.000 0.894 65 L HN 0.189 nan 8.230 nan 0.000 0.432 66 L N -1.302 119.901 121.223 -0.032 0.000 2.046 66 L HA -0.186 4.151 4.340 -0.005 0.000 0.208 66 L C 2.305 179.140 176.870 -0.059 0.000 1.077 66 L CA 1.584 56.385 54.840 -0.066 0.000 0.747 66 L CB -0.662 41.336 42.059 -0.102 0.000 0.896 66 L HN 0.284 nan 8.230 nan 0.000 0.432 67 L N -0.264 120.932 121.223 -0.045 0.000 2.093 67 L HA -0.056 4.281 4.340 -0.005 0.000 0.208 67 L C 2.522 179.376 176.870 -0.027 0.000 1.085 67 L CA 1.936 56.754 54.840 -0.037 0.000 0.755 67 L CB -1.035 41.006 42.059 -0.031 0.000 0.904 67 L HN 0.291 nan 8.230 nan 0.000 0.435 68 A N -0.211 122.593 122.820 -0.026 0.000 1.873 68 A HA -0.225 4.092 4.320 -0.005 0.000 0.218 68 A C 2.481 180.070 177.584 0.008 0.000 1.193 68 A CA 2.172 54.196 52.037 -0.022 0.000 0.629 68 A CB -1.365 17.622 19.000 -0.022 0.000 0.826 68 A HN 0.577 nan 8.150 nan 0.000 0.447 69 A N -1.088 121.741 122.820 0.015 0.000 1.986 69 A HA -0.210 4.107 4.320 -0.005 0.000 0.220 69 A C 2.273 179.918 177.584 0.103 0.000 1.171 69 A CA 1.906 53.980 52.037 0.060 0.000 0.640 69 A CB -1.259 17.751 19.000 0.017 0.000 0.811 69 A HN 0.679 nan 8.150 nan 0.000 0.451 70 C N -0.824 118.495 119.300 0.032 0.000 2.486 70 C HA 0.048 4.505 4.460 -0.005 0.000 0.279 70 C C 2.516 177.585 174.990 0.130 0.000 1.302 70 C CA 0.663 59.702 59.018 0.035 0.000 1.720 70 C CB -1.328 26.392 27.740 -0.033 0.000 2.030 70 C HN 0.651 nan 8.230 nan 0.000 0.490 71 I N 2.417 123.026 120.570 0.066 0.000 2.163 71 I HA -0.160 4.007 4.170 -0.005 0.000 0.240 71 I C 2.701 178.847 176.117 0.049 0.000 1.081 71 I CA 1.988 63.303 61.300 0.026 0.000 1.353 71 I CB -0.841 37.113 38.000 -0.078 0.000 1.054 71 I HN 0.375 nan 8.210 nan 0.000 0.407 72 S N 1.078 116.816 115.700 0.063 0.000 2.419 72 S HA -0.215 4.252 4.470 -0.005 0.000 0.233 72 S C 2.084 176.782 174.600 0.163 0.000 1.016 72 S CA 0.808 59.054 58.200 0.076 0.000 0.974 72 S CB -0.942 62.305 63.200 0.078 0.000 0.786 72 S HN 0.472 nan 8.310 nan 0.000 0.492 73 F N 2.016 122.018 119.950 0.087 0.000 2.134 73 F HA -0.013 4.511 4.527 -0.005 0.000 0.299 73 F C 2.182 178.101 175.800 0.198 0.000 1.097 73 F CA 1.510 59.616 58.000 0.176 0.000 1.264 73 F CB -0.169 38.893 39.000 0.104 0.000 1.001 73 F HN 0.099 nan 8.300 nan 0.000 0.479 74 V N 0.483 120.555 119.914 0.264 0.000 2.809 74 V HA -0.247 3.870 4.120 -0.005 0.000 0.256 74 V C 2.253 178.454 176.094 0.178 0.000 1.080 74 V CA 1.225 63.692 62.300 0.278 0.000 1.102 74 V CB -0.452 31.485 31.823 0.189 0.000 0.705 74 V HN 0.366 nan 8.190 nan 0.000 0.475 75 L N 0.152 121.414 121.223 0.064 0.000 2.023 75 L HA -0.063 4.274 4.340 -0.005 0.000 0.205 75 L C 2.659 179.506 176.870 -0.039 0.000 1.073 75 L CA 1.644 56.497 54.840 0.022 0.000 0.745 75 L CB -0.728 41.324 42.059 -0.011 0.000 0.900 75 L HN 0.358 nan 8.230 nan 0.000 0.435 76 A N -1.493 121.221 122.820 -0.178 0.000 2.121 76 A HA -0.232 4.085 4.320 -0.005 0.000 0.218 76 A C 1.921 178.923 177.584 -0.970 0.000 1.154 76 A CA 0.819 52.548 52.037 -0.514 0.000 0.679 76 A CB -0.692 18.010 19.000 -0.496 0.000 0.795 76 A HN 0.633 nan 8.150 nan 0.000 0.458 77 W N -1.335 119.515 121.300 -0.751 0.000 2.576 77 W HA 0.176 4.834 4.660 -0.004 0.000 0.275 77 W C 0.690 177.175 176.519 -0.057 0.000 1.241 77 W CA 0.450 57.517 57.345 -0.463 0.000 1.328 77 W CB -0.081 29.299 29.460 -0.134 0.000 1.092 77 W HN 0.244 nan 8.180 nan 0.000 0.586 78 F N 1.222 121.052 119.950 -0.201 0.000 2.664 78 F HA 0.176 4.700 4.527 -0.005 0.000 0.301 78 F C 0.523 176.207 175.800 -0.194 0.000 1.126 78 F CA 0.046 57.912 58.000 -0.224 0.000 1.373 78 F CB -0.848 38.106 39.000 -0.077 0.000 1.042 78 F HN -0.158 nan 8.300 nan 0.000 0.535 79 E N 1.278 121.413 120.200 -0.108 0.000 2.197 79 E HA 0.214 4.561 4.350 -0.005 0.000 0.281 79 E C -0.027 176.496 176.600 -0.128 0.000 0.995 79 E CA -0.625 55.716 56.400 -0.098 0.000 0.808 79 E CB 0.778 30.409 29.700 -0.115 0.000 1.093 79 E HN 0.284 nan 8.360 nan 0.000 0.394 80 E N 2.818 122.964 120.200 -0.090 0.000 2.322 80 E HA 0.256 4.603 4.350 -0.005 0.000 0.257 80 E C 0.101 176.670 176.600 -0.052 0.000 1.155 80 E CA -0.859 55.490 56.400 -0.085 0.000 0.936 80 E CB 0.627 30.282 29.700 -0.075 0.000 1.130 80 E HN 0.610 nan 8.360 nan 0.000 0.465 81 G N 0.464 109.239 108.800 -0.042 0.000 2.778 81 G HA2 0.083 4.040 3.960 -0.005 0.000 0.287 81 G HA3 0.083 4.040 3.960 -0.005 0.000 0.287 81 G C 0.471 175.365 174.900 -0.011 0.000 0.747 81 G CA 0.217 45.304 45.100 -0.022 0.000 1.961 81 G HN 0.644 nan 8.290 nan 0.000 0.539 82 E N 0.251 120.448 120.200 -0.005 0.000 2.502 82 E HA 0.170 4.517 4.350 -0.005 0.000 0.206 82 E C 0.942 177.550 176.600 0.014 0.000 0.821 82 E CA -0.028 56.377 56.400 0.008 0.000 1.354 82 E CB 0.512 30.222 29.700 0.016 0.000 1.336 82 E HN 0.352 nan 8.360 nan 0.000 0.675 83 E N -0.066 120.140 120.200 0.010 0.000 2.722 83 E HA 0.056 4.403 4.350 -0.005 0.000 0.179 83 E C -0.083 176.519 176.600 0.005 0.000 0.918 83 E CA 0.134 56.539 56.400 0.009 0.000 1.334 83 E CB 1.340 31.051 29.700 0.018 0.000 1.064 83 E HN 0.075 nan 8.360 nan 0.000 0.513 84 T N 0.470 115.027 114.554 0.005 0.000 3.509 84 T HA 0.059 4.406 4.350 -0.005 0.000 0.250 84 T C 1.247 175.971 174.700 0.040 0.000 1.076 84 T CA 0.221 62.331 62.100 0.016 0.000 0.966 84 T CB -0.361 68.505 68.868 -0.002 0.000 1.046 84 T HN 0.171 nan 8.240 nan 0.000 0.591 85 I N 1.386 121.969 120.570 0.022 0.000 2.617 85 I HA 0.068 4.235 4.170 -0.005 0.000 0.256 85 I C 1.736 177.867 176.117 0.024 0.000 1.167 85 I CA 1.326 62.638 61.300 0.020 0.000 1.469 85 I CB 0.262 38.262 38.000 0.001 0.000 1.098 85 I HN 0.389 nan 8.210 nan 0.000 0.436 86 T N -3.268 111.295 114.554 0.015 0.000 3.186 86 T HA 0.432 4.779 4.350 -0.005 0.000 0.292 86 T C 1.511 176.243 174.700 0.053 0.000 0.915 86 T CA 0.210 62.319 62.100 0.016 0.000 0.902 86 T CB -0.404 68.413 68.868 -0.084 0.000 1.192 86 T HN 0.101 nan 8.240 nan 0.000 0.563 87 A N 0.846 123.701 122.820 0.059 0.000 2.015 87 A HA 0.275 4.592 4.320 -0.005 0.000 0.219 87 A C 1.597 179.266 177.584 0.141 0.000 1.163 87 A CA 0.768 52.842 52.037 0.061 0.000 0.646 87 A CB -0.897 18.110 19.000 0.011 0.000 0.806 87 A HN 0.604 nan 8.150 nan 0.000 0.448 88 F N -0.816 119.155 119.950 0.035 0.000 2.765 88 F HA 0.042 4.566 4.527 -0.005 0.000 0.302 88 F C 1.782 177.637 175.800 0.092 0.000 1.111 88 F CA -0.130 57.898 58.000 0.046 0.000 1.359 88 F CB 0.477 39.495 39.000 0.030 0.000 1.097 88 F HN 0.049 nan 8.300 nan 0.000 0.577 89 V N 0.578 120.668 119.914 0.293 0.000 2.307 89 V HA -0.308 3.809 4.120 -0.005 0.000 0.245 89 V C 2.212 178.479 176.094 0.287 0.000 1.045 89 V CA 2.166 64.626 62.300 0.267 0.000 1.024 89 V CB -0.574 31.369 31.823 0.198 0.000 0.651 89 V HN 0.374 nan 8.190 nan 0.000 0.449 90 E N 1.355 121.687 120.200 0.220 0.000 2.181 90 E HA -0.286 4.061 4.350 -0.005 0.000 0.225 90 E C -0.182 176.519 176.600 0.168 0.000 1.073 90 E CA 3.111 59.613 56.400 0.170 0.000 0.916 90 E CB -1.761 28.031 29.700 0.154 0.000 0.793 90 E HN 0.470 nan 8.360 nan 0.000 0.472 91 P HA -0.099 nan 4.420 nan 0.000 0.216 91 P C 1.464 178.881 177.300 0.194 0.000 1.150 91 P CA 1.586 64.841 63.100 0.257 0.000 0.837 91 P CB -0.366 31.602 31.700 0.447 0.000 0.786 92 F N 0.932 120.940 119.950 0.098 0.000 2.134 92 F HA -0.168 4.356 4.527 -0.005 0.000 0.299 92 F C 1.731 177.563 175.800 0.053 0.000 1.097 92 F CA 1.227 59.259 58.000 0.054 0.000 1.264 92 F CB -1.280 37.740 39.000 0.033 0.000 1.001 92 F HN -0.288 nan 8.300 nan 0.000 0.479 93 V N 1.396 121.058 119.914 -0.419 0.000 2.233 93 V HA -0.319 3.798 4.120 -0.005 0.000 0.247 93 V C 2.506 178.415 176.094 -0.308 0.000 1.050 93 V CA 2.214 64.209 62.300 -0.508 0.000 1.010 93 V CB -1.169 30.556 31.823 -0.163 0.000 0.637 93 V HN 0.547 nan 8.190 nan 0.000 0.444 94 I N -0.170 120.321 120.570 -0.132 0.000 2.091 94 I HA -0.300 3.867 4.170 -0.005 0.000 0.239 94 I C 2.346 178.410 176.117 -0.088 0.000 1.061 94 I CA 2.037 63.292 61.300 -0.076 0.000 1.317 94 I CB -0.215 37.776 38.000 -0.015 0.000 1.031 94 I HN 0.307 nan 8.210 nan 0.000 0.401 95 L N 0.029 121.205 121.223 -0.079 0.000 2.043 95 L HA -0.230 4.107 4.340 -0.005 0.000 0.212 95 L C 2.403 179.232 176.870 -0.068 0.000 1.075 95 L CA 1.941 56.743 54.840 -0.064 0.000 0.752 95 L CB -0.437 41.612 42.059 -0.017 0.000 0.891 95 L HN 0.476 nan 8.230 nan 0.000 0.432 96 L N -0.632 120.490 121.223 -0.167 0.000 2.017 96 L HA -0.240 4.097 4.340 -0.005 0.000 0.208 96 L C 2.472 179.291 176.870 -0.085 0.000 1.073 96 L CA 1.386 56.136 54.840 -0.151 0.000 0.745 96 L CB -0.304 41.518 42.059 -0.396 0.000 0.894 96 L HN 0.246 nan 8.230 nan 0.000 0.432 97 I N 0.199 120.701 120.570 -0.113 0.000 2.264 97 I HA -0.322 3.845 4.170 -0.005 0.000 0.248 97 I C 2.591 178.715 176.117 0.010 0.000 1.111 97 I CA 1.549 62.813 61.300 -0.060 0.000 1.382 97 I CB -1.356 36.602 38.000 -0.069 0.000 1.060 97 I HN 0.386 nan 8.210 nan 0.000 0.418 98 L N 0.432 121.684 121.223 0.047 0.000 1.989 98 L HA -0.227 4.110 4.340 -0.005 0.000 0.211 98 L C 2.591 179.647 176.870 0.309 0.000 1.071 98 L CA 1.565 56.525 54.840 0.200 0.000 0.749 98 L CB -0.689 41.441 42.059 0.117 0.000 0.890 98 L HN 0.109 nan 8.230 nan 0.000 0.431 99 I N 0.140 120.841 120.570 0.217 0.000 2.493 99 I HA -0.195 3.972 4.170 -0.005 0.000 0.254 99 I C 2.712 178.884 176.117 0.091 0.000 1.160 99 I CA 1.070 62.501 61.300 0.218 0.000 1.445 99 I CB -0.550 37.535 38.000 0.141 0.000 1.086 99 I HN 0.161 nan 8.210 nan 0.000 0.433 100 A N 0.533 123.381 122.820 0.048 0.000 1.972 100 A HA -0.206 4.111 4.320 -0.005 0.000 0.219 100 A C 2.115 179.690 177.584 -0.016 0.000 1.169 100 A CA 2.028 54.065 52.037 0.001 0.000 0.635 100 A CB -0.537 18.449 19.000 -0.022 0.000 0.810 100 A HN 0.404 nan 8.150 nan 0.000 0.446 101 N N -0.472 118.218 118.700 -0.017 0.000 2.336 101 N HA 0.125 4.862 4.740 -0.005 0.000 0.177 101 N C 1.828 177.267 175.510 -0.118 0.000 1.018 101 N CA 1.181 54.197 53.050 -0.057 0.000 0.878 101 N CB -0.370 38.084 38.487 -0.055 0.000 0.997 101 N HN 0.352 nan 8.380 nan 0.000 0.433 102 A N 1.550 124.256 122.820 -0.191 0.000 1.908 102 A HA -0.131 4.186 4.320 -0.005 0.000 0.218 102 A C 2.115 179.611 177.584 -0.146 0.000 1.181 102 A CA 0.996 52.828 52.037 -0.342 0.000 0.627 102 A CB -0.702 18.020 19.000 -0.463 0.000 0.818 102 A HN 0.340 nan 8.150 nan 0.000 0.445 103 I N 0.320 120.859 120.570 -0.051 0.000 2.142 103 I HA -0.171 3.996 4.170 -0.005 0.000 0.240 103 I C 2.240 178.389 176.117 0.053 0.000 1.078 103 I CA 2.122 63.426 61.300 0.006 0.000 1.343 103 I CB -0.848 37.157 38.000 0.007 0.000 1.046 103 I HN 0.207 nan 8.210 nan 0.000 0.405 104 V N 2.083 122.019 119.914 0.035 0.000 2.233 104 V HA -0.238 3.879 4.120 -0.005 0.000 0.247 104 V C 2.860 179.057 176.094 0.172 0.000 1.050 104 V CA 2.165 64.534 62.300 0.114 0.000 1.010 104 V CB -2.077 29.777 31.823 0.053 0.000 0.637 104 V HN 0.587 nan 8.190 nan 0.000 0.444 105 G N -0.013 108.815 108.800 0.047 0.000 2.491 105 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.218 105 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.218 105 G C 1.675 176.578 174.900 0.005 0.000 1.180 105 G CA 1.421 46.524 45.100 0.005 0.000 0.774 105 G HN 0.377 nan 8.290 nan 0.000 0.562 106 V N -0.241 119.668 119.914 -0.007 0.000 2.380 106 V HA -0.200 3.917 4.120 -0.005 0.000 0.251 106 V C 2.270 178.397 176.094 0.055 0.000 1.063 106 V CA 1.943 64.241 62.300 -0.003 0.000 1.055 106 V CB -0.671 31.145 31.823 -0.012 0.000 0.657 106 V HN 0.651 nan 8.190 nan 0.000 0.455 107 W N 1.080 122.353 121.300 -0.045 0.000 2.335 107 W HA -0.268 4.389 4.660 -0.005 0.000 0.311 107 W C 2.544 179.046 176.519 -0.028 0.000 1.213 107 W CA 2.143 59.471 57.345 -0.028 0.000 1.274 107 W CB -0.474 28.971 29.460 -0.025 0.000 1.148 107 W HN 0.196 nan 8.180 nan 0.000 0.498 108 Q N 0.707 120.416 119.800 -0.152 0.000 2.124 108 Q HA -0.224 4.113 4.340 -0.005 0.000 0.202 108 Q C 2.106 177.937 176.000 -0.282 0.000 0.977 108 Q CA 2.380 57.968 55.803 -0.358 0.000 0.850 108 Q CB -0.576 28.068 28.738 -0.158 0.000 0.901 108 Q HN 0.493 nan 8.270 nan 0.000 0.429 109 E N -0.477 119.626 120.200 -0.163 0.000 2.017 109 E HA -0.173 4.175 4.350 -0.005 0.000 0.193 109 E C 2.014 178.532 176.600 -0.137 0.000 0.997 109 E CA 1.194 57.519 56.400 -0.126 0.000 0.804 109 E CB -0.093 29.559 29.700 -0.080 0.000 0.757 109 E HN 0.151 nan 8.360 nan 0.000 0.448 110 R N 0.431 120.854 120.500 -0.129 0.000 2.083 110 R HA -0.183 4.154 4.340 -0.005 0.000 0.237 110 R C 2.335 178.533 176.300 -0.170 0.000 1.137 110 R CA 1.702 57.736 56.100 -0.109 0.000 0.951 110 R CB -0.860 29.403 30.300 -0.063 0.000 0.851 110 R HN 0.411 nan 8.270 nan 0.000 0.434 111 N N -0.205 118.309 118.700 -0.309 0.000 2.037 111 N HA -0.242 4.495 4.740 -0.005 0.000 0.196 111 N C 1.708 177.066 175.510 -0.252 0.000 1.034 111 N CA 1.704 54.523 53.050 -0.385 0.000 0.861 111 N CB -0.077 37.958 38.487 -0.755 0.000 1.039 111 N HN 0.228 nan 8.380 nan 0.000 0.427 112 A N 1.733 124.410 122.820 -0.238 0.000 1.848 112 A HA -0.255 4.063 4.320 -0.005 0.000 0.217 112 A C 1.873 179.387 177.584 -0.115 0.000 1.220 112 A CA 2.089 54.028 52.037 -0.162 0.000 0.645 112 A CB -1.158 17.757 19.000 -0.141 0.000 0.842 112 A HN 0.599 nan 8.150 nan 0.000 0.451 113 E N -0.040 120.102 120.200 -0.097 0.000 2.197 113 E HA -0.299 4.048 4.350 -0.005 0.000 0.205 113 E C 1.837 178.401 176.600 -0.060 0.000 1.029 113 E CA 1.587 57.947 56.400 -0.067 0.000 0.828 113 E CB -0.687 28.980 29.700 -0.055 0.000 0.737 113 E HN 0.773 nan 8.360 nan 0.000 0.464 114 N N 0.608 119.263 118.700 -0.075 0.000 2.039 114 N HA -0.133 4.604 4.740 -0.005 0.000 0.193 114 N C 2.036 177.512 175.510 -0.057 0.000 1.044 114 N CA 1.038 54.051 53.050 -0.061 0.000 0.847 114 N CB -0.171 38.273 38.487 -0.072 0.000 1.030 114 N HN 0.137 nan 8.380 nan 0.000 0.422 115 A N 1.401 124.177 122.820 -0.072 0.000 2.024 115 A HA -0.107 4.210 4.320 -0.005 0.000 0.220 115 A C 1.774 179.328 177.584 -0.050 0.000 1.164 115 A CA 1.044 53.045 52.037 -0.061 0.000 0.643 115 A CB -0.390 18.567 19.000 -0.072 0.000 0.806 115 A HN 0.239 nan 8.150 nan 0.000 0.451 116 I N -0.213 120.326 120.570 -0.052 0.000 3.111 116 I HA -0.006 4.161 4.170 -0.005 0.000 0.272 116 I C 0.135 176.235 176.117 -0.028 0.000 1.268 116 I CA 0.539 61.815 61.300 -0.041 0.000 1.467 116 I CB -1.148 36.825 38.000 -0.046 0.000 1.087 116 I HN 0.154 nan 8.210 nan 0.000 0.467 117 E N 2.069 122.253 120.200 -0.026 0.000 2.597 117 E HA 0.423 4.770 4.350 -0.005 0.000 0.235 117 E C 0.027 176.618 176.600 -0.014 0.000 1.155 117 E CA -0.183 56.209 56.400 -0.012 0.000 1.199 117 E CB 0.630 30.325 29.700 -0.008 0.000 1.409 117 E HN 0.156 nan 8.360 nan 0.000 0.453 118 A N 2.125 124.935 122.820 -0.018 0.000 2.690 118 A HA 0.381 4.698 4.320 -0.005 0.000 0.342 118 A C 0.791 178.362 177.584 -0.022 0.000 1.410 118 A CA -0.411 51.608 52.037 -0.030 0.000 0.958 118 A CB -0.161 18.819 19.000 -0.033 0.000 1.153 118 A HN 0.419 nan 8.150 nan 0.000 0.497 119 L N 0.174 121.383 121.223 -0.023 0.000 5.279 119 L HA -0.286 4.051 4.340 -0.005 0.000 0.428 119 L C 1.848 178.786 176.870 0.115 0.000 0.974 119 L CA 2.209 57.056 54.840 0.012 0.000 1.338 119 L CB -1.008 41.026 42.059 -0.040 0.000 1.740 119 L HN 0.633 nan 8.230 nan 0.000 0.657 120 K N -0.134 120.303 120.400 0.062 0.000 2.032 120 K HA -0.094 4.223 4.320 -0.005 0.000 0.209 120 K C 1.603 178.241 176.600 0.063 0.000 1.048 120 K CA 1.953 58.270 56.287 0.051 0.000 0.927 120 K CB -0.173 32.342 32.500 0.024 0.000 0.712 120 K HN 0.533 nan 8.250 nan 0.000 0.441 121 E N -0.217 120.025 120.200 0.071 0.000 2.501 121 E HA -0.032 4.315 4.350 -0.005 0.000 0.200 121 E C 1.156 177.794 176.600 0.064 0.000 1.016 121 E CA -0.245 56.184 56.400 0.048 0.000 0.921 121 E CB 0.174 29.891 29.700 0.028 0.000 1.034 121 E HN 0.211 nan 8.360 nan 0.000 0.468 122 Y N 1.281 121.572 120.300 -0.014 0.000 2.333 122 Y HA -0.081 4.466 4.550 -0.005 0.000 0.290 122 Y C 0.516 176.407 175.900 -0.015 0.000 1.144 122 Y CA 1.096 59.187 58.100 -0.015 0.000 1.228 122 Y CB 0.259 38.708 38.460 -0.018 0.000 0.985 122 Y HN -0.104 nan 8.280 nan 0.000 0.542 123 E N 2.512 122.564 120.200 -0.246 0.000 2.134 123 E HA 0.313 4.660 4.350 -0.005 0.000 0.278 123 E C -2.643 173.854 176.600 -0.172 0.000 0.959 123 E CA -3.337 52.877 56.400 -0.309 0.000 0.783 123 E CB 0.566 30.190 29.700 -0.127 0.000 1.095 123 E HN 0.094 nan 8.360 nan 0.000 0.399 124 P HA 0.085 nan 4.420 nan 0.000 0.268 124 P C -0.774 176.482 177.300 -0.073 0.000 1.205 124 P CA -0.089 62.948 63.100 -0.106 0.000 0.771 124 P CB 0.595 32.232 31.700 -0.105 0.000 0.858 125 E N 2.131 122.303 120.200 -0.047 0.000 2.130 125 E HA 0.286 4.633 4.350 -0.005 0.000 0.284 125 E C -0.414 176.167 176.600 -0.032 0.000 1.018 125 E CA -0.248 56.132 56.400 -0.033 0.000 0.817 125 E CB 0.307 29.996 29.700 -0.019 0.000 1.078 125 E HN 0.254 nan 8.360 nan 0.000 0.396 126 M N 1.783 121.361 119.600 -0.036 0.000 2.664 126 M HA 0.636 5.113 4.480 -0.005 0.000 0.314 126 M C 0.140 176.417 176.300 -0.038 0.000 1.200 126 M CA -0.982 54.295 55.300 -0.039 0.000 0.916 126 M CB 1.521 34.093 32.600 -0.046 0.000 1.717 126 M HN 0.531 nan 8.290 nan 0.000 0.470 127 G N 0.985 109.757 108.800 -0.046 0.000 2.682 127 G HA2 0.642 4.599 3.960 -0.005 0.000 0.300 127 G HA3 0.642 4.599 3.960 -0.005 0.000 0.300 127 G C -1.410 173.446 174.900 -0.073 0.000 1.391 127 G CA -0.692 44.377 45.100 -0.051 0.000 0.990 127 G HN 0.554 nan 8.290 nan 0.000 0.501 128 K N 0.870 121.219 120.400 -0.085 0.000 2.293 128 K HA 0.584 4.901 4.320 -0.005 0.000 0.267 128 K C -0.203 176.302 176.600 -0.158 0.000 1.010 128 K CA -0.637 55.569 56.287 -0.134 0.000 0.875 128 K CB 2.049 34.467 32.500 -0.137 0.000 1.106 128 K HN 0.514 nan 8.250 nan 0.000 0.450 129 V N 0.089 119.884 119.914 -0.197 0.000 3.040 129 V HA 0.545 4.662 4.120 -0.005 0.000 0.312 129 V C -1.338 174.598 176.094 -0.264 0.000 1.115 129 V CA -1.057 61.144 62.300 -0.166 0.000 0.998 129 V CB 1.255 33.027 31.823 -0.085 0.000 1.042 129 V HN 0.583 nan 8.190 nan 0.000 0.433 130 Y N 1.554 121.832 120.300 -0.037 0.000 2.328 130 Y HA 0.788 5.335 4.550 -0.005 0.000 0.337 130 Y C 0.528 176.405 175.900 -0.039 0.000 0.966 130 Y CA -0.388 57.693 58.100 -0.032 0.000 1.136 130 Y CB 1.911 40.355 38.460 -0.026 0.000 1.170 130 Y HN 0.588 nan 8.280 nan 0.000 0.470 131 R N 1.116 121.675 120.500 0.099 0.000 2.744 131 R HA 0.538 4.875 4.340 -0.005 0.000 0.279 131 R C 0.578 176.902 176.300 0.040 0.000 0.977 131 R CA -0.562 55.561 56.100 0.038 0.000 0.906 131 R CB 1.763 32.058 30.300 -0.007 0.000 1.197 131 R HN 0.827 nan 8.270 nan 0.000 0.463 132 A N 1.414 124.245 122.820 0.018 0.000 2.104 132 A HA -0.283 4.034 4.320 -0.005 0.000 0.223 132 A C 1.480 179.071 177.584 0.012 0.000 1.164 132 A CA 2.164 54.209 52.037 0.013 0.000 0.659 132 A CB -0.515 18.484 19.000 -0.002 0.000 0.808 132 A HN 0.860 nan 8.150 nan 0.000 0.465 133 D N -0.506 119.898 120.400 0.007 0.000 2.126 133 D HA -0.151 4.486 4.640 -0.005 0.000 0.190 133 D C 1.224 177.530 176.300 0.010 0.000 1.001 133 D CA 1.776 55.778 54.000 0.002 0.000 0.841 133 D CB 0.080 40.876 40.800 -0.006 0.000 0.949 133 D HN 0.717 nan 8.370 nan 0.000 0.446 134 R N -1.405 119.109 120.500 0.023 0.000 2.752 134 R HA 0.269 4.606 4.340 -0.005 0.000 0.271 134 R C 0.478 176.816 176.300 0.064 0.000 1.026 134 R CA -0.756 55.362 56.100 0.031 0.000 0.901 134 R CB 0.771 31.083 30.300 0.019 0.000 1.243 134 R HN -0.243 nan 8.270 nan 0.000 0.463 135 K N 0.930 121.368 120.400 0.064 0.000 2.103 135 K HA 0.090 4.407 4.320 -0.005 0.000 0.204 135 K C -0.020 176.682 176.600 0.170 0.000 1.052 135 K CA 0.894 57.236 56.287 0.092 0.000 0.945 135 K CB -0.018 32.514 32.500 0.053 0.000 0.722 135 K HN 0.556 nan 8.250 nan 0.000 0.443 136 S N 0.717 116.487 115.700 0.116 0.000 2.592 136 S HA 0.075 4.542 4.470 -0.005 0.000 0.271 136 S C -0.227 174.378 174.600 0.008 0.000 1.326 136 S CA -0.526 57.737 58.200 0.105 0.000 1.024 136 S CB 1.878 65.099 63.200 0.034 0.000 0.921 136 S HN 0.139 nan 8.310 nan 0.000 0.527 137 V N 2.662 122.468 119.914 -0.180 0.000 2.872 137 V HA 0.094 4.211 4.120 -0.005 0.000 0.307 137 V C -0.271 175.648 176.094 -0.292 0.000 1.072 137 V CA 0.547 62.477 62.300 -0.617 0.000 1.148 137 V CB 0.763 32.144 31.823 -0.736 0.000 0.954 137 V HN 0.870 nan 8.190 nan 0.000 0.490 138 Q N 5.507 125.140 119.800 -0.278 0.000 2.337 138 Q HA 0.547 4.884 4.340 -0.005 0.000 0.266 138 Q C -1.088 174.827 176.000 -0.142 0.000 1.023 138 Q CA -0.648 55.062 55.803 -0.155 0.000 0.829 138 Q CB 2.188 30.861 28.738 -0.108 0.000 1.306 138 Q HN 0.680 nan 8.270 nan 0.000 0.449 139 R N 2.677 123.116 120.500 -0.102 0.000 2.215 139 R HA 0.468 4.805 4.340 -0.005 0.000 0.337 139 R C -0.118 176.143 176.300 -0.065 0.000 1.010 139 R CA -0.145 55.905 56.100 -0.083 0.000 0.871 139 R CB 0.076 30.334 30.300 -0.070 0.000 1.134 139 R HN 0.586 nan 8.270 nan 0.000 0.477 140 I N -2.221 118.312 120.570 -0.062 0.000 3.170 140 I HA 0.518 4.685 4.170 -0.005 0.000 0.312 140 I C -0.390 175.704 176.117 -0.038 0.000 1.085 140 I CA -1.613 59.659 61.300 -0.047 0.000 0.999 140 I CB 1.371 39.342 38.000 -0.048 0.000 1.233 140 I HN 0.074 nan 8.210 nan 0.000 0.467 141 K N 1.870 122.255 120.400 -0.026 0.000 2.448 141 K HA 0.181 4.498 4.320 -0.005 0.000 0.278 141 K C 0.849 177.440 176.600 -0.014 0.000 1.009 141 K CA 0.405 56.682 56.287 -0.016 0.000 0.995 141 K CB 1.187 33.687 32.500 0.001 0.000 0.917 141 K HN 0.846 nan 8.250 nan 0.000 0.481 142 A N 3.990 126.803 122.820 -0.013 0.000 2.019 142 A HA -0.210 4.107 4.320 -0.005 0.000 0.219 142 A C 1.980 179.567 177.584 0.006 0.000 1.164 142 A CA 1.484 53.515 52.037 -0.011 0.000 0.644 142 A CB -0.342 18.653 19.000 -0.009 0.000 0.805 142 A HN 0.824 nan 8.150 nan 0.000 0.449 143 R N -0.771 119.745 120.500 0.025 0.000 2.189 143 R HA -0.056 4.281 4.340 -0.005 0.000 0.223 143 R C 0.093 176.432 176.300 0.065 0.000 1.092 143 R CA 1.467 57.606 56.100 0.065 0.000 0.989 143 R CB -0.440 29.915 30.300 0.091 0.000 0.876 143 R HN 0.206 nan 8.270 nan 0.000 0.457 144 D N 0.850 121.259 120.400 0.015 0.000 2.340 144 D HA 0.176 4.813 4.640 -0.005 0.000 0.220 144 D C 0.270 176.533 176.300 -0.061 0.000 1.039 144 D CA 0.212 54.187 54.000 -0.043 0.000 0.866 144 D CB 0.162 40.942 40.800 -0.034 0.000 0.913 144 D HN 0.251 nan 8.370 nan 0.000 0.523 145 I N 1.211 121.758 120.570 -0.038 0.000 2.474 145 I HA 0.081 4.248 4.170 -0.005 0.000 0.287 145 I C 0.347 176.437 176.117 -0.045 0.000 1.048 145 I CA -0.577 60.694 61.300 -0.047 0.000 1.383 145 I CB 1.311 39.285 38.000 -0.043 0.000 1.412 145 I HN -0.239 nan 8.210 nan 0.000 0.531 146 V N 4.204 124.086 119.914 -0.055 0.000 2.864 146 V HA 0.658 4.775 4.120 -0.005 0.000 0.314 146 V C -2.696 173.321 176.094 -0.128 0.000 1.073 146 V CA -2.693 59.585 62.300 -0.036 0.000 0.956 146 V CB 1.396 33.254 31.823 0.058 0.000 1.023 146 V HN 0.436 nan 8.190 nan 0.000 0.435 147 P HA 0.312 nan 4.420 nan 0.000 0.267 147 P C 1.026 177.913 177.300 -0.689 0.000 1.200 147 P CA 1.776 64.592 63.100 -0.473 0.000 0.772 147 P CB 0.844 32.200 31.700 -0.573 0.000 0.855 148 G N 1.124 109.228 108.800 -1.161 0.000 2.299 148 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.237 148 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.237 148 G C 0.207 174.883 174.900 -0.373 0.000 1.027 148 G CA -0.062 44.390 45.100 -1.080 0.000 0.619 148 G HN 0.550 nan 8.290 nan 0.000 0.513 149 D N 1.057 121.300 120.400 -0.262 0.000 2.478 149 D HA 0.261 4.898 4.640 -0.005 0.000 0.234 149 D C 0.761 177.004 176.300 -0.095 0.000 1.154 149 D CA 0.251 54.167 54.000 -0.139 0.000 0.874 149 D CB 0.399 41.133 40.800 -0.111 0.000 1.198 149 D HN 0.136 nan 8.370 nan 0.000 0.455 150 I N 3.157 123.711 120.570 -0.028 0.000 2.304 150 I HA 0.151 4.318 4.170 -0.005 0.000 0.291 150 I C 0.299 176.452 176.117 0.059 0.000 1.018 150 I CA -0.418 60.900 61.300 0.030 0.000 1.260 150 I CB 0.854 38.903 38.000 0.083 0.000 1.390 150 I HN -0.033 nan 8.210 nan 0.000 0.475 151 V N 6.374 126.309 119.914 0.035 0.000 2.769 151 V HA 0.447 4.564 4.120 -0.005 0.000 0.312 151 V C 0.010 176.136 176.094 0.053 0.000 1.058 151 V CA -0.808 61.502 62.300 0.016 0.000 0.952 151 V CB 2.646 34.453 31.823 -0.025 0.000 1.019 151 V HN 0.694 nan 8.190 nan 0.000 0.445 152 E N 1.973 122.188 120.200 0.025 0.000 2.210 152 E HA 0.704 5.051 4.350 -0.005 0.000 0.266 152 E C -1.505 175.096 176.600 0.002 0.000 0.883 152 E CA -0.538 55.891 56.400 0.049 0.000 0.761 152 E CB 2.153 31.897 29.700 0.073 0.000 1.156 152 E HN 0.626 nan 8.360 nan 0.000 0.412 153 V N 0.283 120.204 119.914 0.011 0.000 2.876 153 V HA 1.020 5.137 4.120 -0.005 0.000 0.312 153 V C -0.769 175.329 176.094 0.008 0.000 1.085 153 V CA -0.599 61.700 62.300 -0.001 0.000 0.945 153 V CB 1.275 33.092 31.823 -0.009 0.000 1.017 153 V HN 0.777 nan 8.190 nan 0.000 0.428 154 A N 2.288 125.110 122.820 0.003 0.000 2.569 154 A HA 0.842 5.159 4.320 -0.005 0.000 0.290 154 A C -0.331 177.255 177.584 0.004 0.000 1.136 154 A CA -0.392 51.651 52.037 0.009 0.000 0.710 154 A CB 1.719 20.725 19.000 0.011 0.000 1.303 154 A HN 2.157 nan 8.150 nan 0.000 0.413 155 V N 1.255 121.174 119.914 0.007 0.000 2.678 155 V HA 0.333 4.450 4.120 -0.005 0.000 0.304 155 V C 1.434 177.527 176.094 -0.001 0.000 1.086 155 V CA 2.758 65.061 62.300 0.004 0.000 1.246 155 V CB 0.155 31.981 31.823 0.005 0.000 0.861 155 V HN 2.714 nan 8.190 nan 0.000 0.491 156 G N 4.248 113.046 108.800 -0.003 0.000 2.217 156 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.246 156 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.246 156 G C 0.008 174.906 174.900 -0.004 0.000 0.990 156 G CA 0.207 45.304 45.100 -0.005 0.000 0.627 156 G HN 0.792 nan 8.290 nan 0.000 0.522 157 D N 0.775 121.172 120.400 -0.005 0.000 2.372 157 D HA 0.422 5.059 4.640 -0.005 0.000 0.243 157 D C 0.519 176.817 176.300 -0.003 0.000 1.121 157 D CA 0.185 54.181 54.000 -0.008 0.000 0.898 157 D CB 1.245 42.039 40.800 -0.011 0.000 1.202 157 D HN 0.425 nan 8.370 nan 0.000 0.428 158 K N 1.384 121.781 120.400 -0.005 0.000 2.248 158 K HA 0.256 4.573 4.320 -0.005 0.000 0.281 158 K C -0.811 175.789 176.600 0.000 0.000 1.054 158 K CA -0.678 55.610 56.287 0.002 0.000 0.903 158 K CB 0.723 33.223 32.500 0.002 0.000 1.077 158 K HN 0.092 nan 8.250 nan 0.000 0.474 159 V N 8.236 128.154 119.914 0.007 0.000 2.475 159 V HA -0.005 4.112 4.120 -0.005 0.000 0.292 159 V C -1.434 174.662 176.094 0.004 0.000 1.003 159 V CA -0.963 61.338 62.300 0.001 0.000 1.120 159 V CB 0.694 32.522 31.823 0.008 0.000 0.937 159 V HN 0.889 nan 8.190 nan 0.000 0.476 160 P HA 0.067 nan 4.420 nan 0.000 0.221 160 P C 0.285 177.583 177.300 -0.003 0.000 1.150 160 P CA 1.351 64.445 63.100 -0.009 0.000 0.800 160 P CB 0.458 32.145 31.700 -0.022 0.000 0.787 161 A N -1.353 121.463 122.820 -0.006 0.000 2.564 161 A HA 0.452 4.769 4.320 -0.005 0.000 0.291 161 A C -1.654 175.928 177.584 -0.003 0.000 1.102 161 A CA -0.625 51.411 52.037 -0.001 0.000 0.660 161 A CB 0.060 19.047 19.000 -0.022 0.000 1.283 161 A HN -0.237 nan 8.150 nan 0.000 0.430 162 D N 0.883 121.290 120.400 0.012 0.000 2.358 162 D HA 0.524 5.161 4.640 -0.005 0.000 0.258 162 D C -0.452 175.815 176.300 -0.056 0.000 1.223 162 D CA 1.016 55.021 54.000 0.007 0.000 0.886 162 D CB 0.206 41.053 40.800 0.078 0.000 1.120 162 D HN 0.405 nan 8.370 nan 0.000 0.482 163 I N 1.942 122.443 120.570 -0.116 0.000 2.646 163 I HA 0.334 4.501 4.170 -0.005 0.000 0.299 163 I C 0.206 176.244 176.117 -0.132 0.000 1.036 163 I CA -1.141 60.093 61.300 -0.110 0.000 1.074 163 I CB 1.949 39.892 38.000 -0.095 0.000 1.258 163 I HN -0.057 nan 8.210 nan 0.000 0.430 164 R N 5.687 126.140 120.500 -0.078 0.000 2.198 164 R HA 0.480 4.817 4.340 -0.005 0.000 0.339 164 R C -0.748 175.523 176.300 -0.048 0.000 1.020 164 R CA -0.786 55.280 56.100 -0.057 0.000 0.864 164 R CB 0.282 30.576 30.300 -0.009 0.000 1.105 164 R HN 0.548 nan 8.270 nan 0.000 0.463 165 I N 5.921 126.453 120.570 -0.063 0.000 2.683 165 I HA -0.152 4.015 4.170 -0.005 0.000 0.286 165 I C 1.499 177.609 176.117 -0.012 0.000 1.175 165 I CA 0.316 61.591 61.300 -0.042 0.000 1.429 165 I CB 0.603 38.571 38.000 -0.054 0.000 1.371 165 I HN 0.489 nan 8.210 nan 0.000 0.569 166 L N 3.806 125.027 121.223 -0.003 0.000 2.347 166 L HA 0.193 4.530 4.340 -0.005 0.000 0.196 166 L C 0.812 177.689 176.870 0.010 0.000 1.072 166 L CA 0.607 55.452 54.840 0.008 0.000 0.817 166 L CB 0.208 42.271 42.059 0.008 0.000 1.029 166 L HN 0.624 nan 8.230 nan 0.000 0.478 167 S N -0.329 115.376 115.700 0.008 0.000 2.572 167 S HA 0.500 4.967 4.470 -0.005 0.000 0.274 167 S C -1.147 173.463 174.600 0.016 0.000 1.150 167 S CA -0.615 57.592 58.200 0.011 0.000 0.944 167 S CB 1.328 64.529 63.200 0.002 0.000 1.071 167 S HN -0.032 nan 8.310 nan 0.000 0.479 168 I N 5.510 126.094 120.570 0.023 0.000 2.304 168 I HA 0.386 4.553 4.170 -0.005 0.000 0.291 168 I C 0.975 177.110 176.117 0.031 0.000 1.018 168 I CA -0.527 60.790 61.300 0.029 0.000 1.260 168 I CB 1.521 39.544 38.000 0.038 0.000 1.390 168 I HN 0.676 nan 8.210 nan 0.000 0.475 169 K N 3.280 123.699 120.400 0.033 0.000 2.116 169 K HA 0.028 4.346 4.320 -0.005 0.000 0.203 169 K C 1.006 177.632 176.600 0.044 0.000 1.052 169 K CA 0.521 56.829 56.287 0.035 0.000 0.952 169 K CB -0.219 32.303 32.500 0.036 0.000 0.729 169 K HN 0.680 nan 8.250 nan 0.000 0.446 170 S N 0.053 115.783 115.700 0.051 0.000 2.634 170 S HA 0.105 4.572 4.470 -0.005 0.000 0.261 170 S C 1.391 176.036 174.600 0.075 0.000 1.271 170 S CA -0.371 57.868 58.200 0.066 0.000 0.985 170 S CB 0.779 64.019 63.200 0.067 0.000 0.968 170 S HN 0.084 nan 8.310 nan 0.000 0.568 171 T N 1.474 116.087 114.554 0.098 0.000 2.684 171 T HA 0.015 4.362 4.350 -0.005 0.000 0.267 171 T C 0.892 175.653 174.700 0.102 0.000 1.036 171 T CA 1.763 63.925 62.100 0.104 0.000 1.148 171 T CB -0.615 68.341 68.868 0.146 0.000 0.863 171 T HN 0.976 nan 8.240 nan 0.000 0.436 172 T N -0.647 113.978 114.554 0.119 0.000 2.896 172 T HA 0.681 5.028 4.350 -0.005 0.000 0.297 172 T C -1.371 173.382 174.700 0.088 0.000 1.108 172 T CA -0.970 61.202 62.100 0.119 0.000 1.004 172 T CB 2.065 71.042 68.868 0.182 0.000 1.159 172 T HN 0.043 nan 8.240 nan 0.000 0.499 173 L N 1.263 122.528 121.223 0.069 0.000 2.341 173 L HA 0.703 5.040 4.340 -0.005 0.000 0.278 173 L C -0.602 176.286 176.870 0.031 0.000 1.005 173 L CA -0.603 54.261 54.840 0.040 0.000 0.818 173 L CB 1.345 43.418 42.059 0.022 0.000 1.259 173 L HN 0.690 nan 8.230 nan 0.000 0.418 174 R N 4.477 124.988 120.500 0.018 0.000 2.534 174 R HA 0.757 5.095 4.340 -0.005 0.000 0.301 174 R C -1.601 174.704 176.300 0.008 0.000 0.961 174 R CA -0.909 55.196 56.100 0.009 0.000 0.871 174 R CB 2.175 32.471 30.300 -0.007 0.000 1.170 174 R HN 0.417 nan 8.270 nan 0.000 0.446 175 V N 1.395 121.316 119.914 0.012 0.000 2.656 175 V HA 0.167 4.284 4.120 -0.005 0.000 0.307 175 V C -0.617 175.498 176.094 0.034 0.000 1.051 175 V CA -0.919 61.394 62.300 0.021 0.000 0.893 175 V CB 2.151 33.986 31.823 0.022 0.000 0.999 175 V HN 0.673 nan 8.190 nan 0.000 0.426 176 D N 3.184 123.607 120.400 0.037 0.000 2.396 176 D HA 0.291 4.928 4.640 -0.005 0.000 0.225 176 D C 0.563 176.895 176.300 0.053 0.000 1.121 176 D CA -0.101 53.924 54.000 0.042 0.000 0.853 176 D CB 1.257 42.081 40.800 0.041 0.000 1.043 176 D HN 0.574 nan 8.370 nan 0.000 0.500 177 Q N 2.096 121.931 119.800 0.058 0.000 2.220 177 Q HA 0.037 4.374 4.340 -0.005 0.000 0.205 177 Q C 1.605 177.624 176.000 0.032 0.000 0.865 177 Q CA -0.039 55.804 55.803 0.067 0.000 0.960 177 Q CB 0.456 29.253 28.738 0.097 0.000 1.097 177 Q HN 0.612 nan 8.270 nan 0.000 0.493 178 S N 0.980 116.697 115.700 0.028 0.000 2.402 178 S HA -0.157 4.310 4.470 -0.005 0.000 0.233 178 S C 1.783 176.388 174.600 0.008 0.000 1.030 178 S CA 0.812 59.022 58.200 0.016 0.000 1.003 178 S CB -0.231 62.981 63.200 0.020 0.000 0.813 178 S HN 0.285 nan 8.310 nan 0.000 0.477 179 I N 1.004 121.583 120.570 0.014 0.000 3.083 179 I HA 0.112 4.279 4.170 -0.005 0.000 0.273 179 I C 1.856 177.968 176.117 -0.008 0.000 1.297 179 I CA 0.667 61.972 61.300 0.007 0.000 1.452 179 I CB -1.058 36.952 38.000 0.016 0.000 1.078 179 I HN 0.440 nan 8.210 nan 0.000 0.484 180 L N -0.283 120.929 121.223 -0.019 0.000 2.678 180 L HA 0.111 4.448 4.340 -0.005 0.000 0.211 180 L C 1.979 178.805 176.870 -0.073 0.000 1.043 180 L CA 1.325 56.132 54.840 -0.056 0.000 0.881 180 L CB -0.439 41.569 42.059 -0.085 0.000 1.361 180 L HN 0.099 nan 8.230 nan 0.000 0.484 181 T N -3.230 111.288 114.554 -0.061 0.000 3.037 181 T HA 0.358 4.705 4.350 -0.005 0.000 0.251 181 T C 1.431 176.118 174.700 -0.021 0.000 1.079 181 T CA 0.329 62.398 62.100 -0.053 0.000 1.067 181 T CB -0.205 68.637 68.868 -0.045 0.000 0.948 181 T HN 0.813 nan 8.240 nan 0.000 0.496 182 G N 1.881 110.674 108.800 -0.012 0.000 2.221 182 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.265 182 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.265 182 G C -0.341 174.561 174.900 0.003 0.000 1.041 182 G CA -0.065 45.033 45.100 -0.003 0.000 0.807 182 G HN 0.655 nan 8.290 nan 0.000 0.502 183 E N 0.727 120.931 120.200 0.008 0.000 2.052 183 E HA 0.374 4.721 4.350 -0.005 0.000 0.283 183 E C 1.760 178.370 176.600 0.016 0.000 1.071 183 E CA 0.189 56.598 56.400 0.015 0.000 0.851 183 E CB 0.686 30.400 29.700 0.023 0.000 1.066 183 E HN 0.468 nan 8.360 nan 0.000 0.396 184 S N 2.328 118.035 115.700 0.012 0.000 2.368 184 S HA -0.148 4.319 4.470 -0.005 0.000 0.226 184 S C 1.015 175.625 174.600 0.015 0.000 1.044 184 S CA 0.724 58.930 58.200 0.009 0.000 1.062 184 S CB -0.076 63.126 63.200 0.004 0.000 0.931 184 S HN 0.240 nan 8.310 nan 0.000 0.440 185 V N 3.162 123.087 119.914 0.018 0.000 2.472 185 V HA 0.504 4.621 4.120 -0.005 0.000 0.290 185 V C 0.640 176.746 176.094 0.020 0.000 1.037 185 V CA -0.468 61.842 62.300 0.017 0.000 0.908 185 V CB 1.323 33.155 31.823 0.015 0.000 0.985 185 V HN 0.712 nan 8.190 nan 0.000 0.454 186 S N 4.524 120.234 115.700 0.016 0.000 2.559 186 S HA 0.227 4.694 4.470 -0.005 0.000 0.282 186 S C -0.267 174.345 174.600 0.019 0.000 1.336 186 S CA -0.484 57.727 58.200 0.018 0.000 1.037 186 S CB 0.677 63.882 63.200 0.008 0.000 0.853 186 S HN 0.518 nan 8.310 nan 0.000 0.523 187 V N 3.199 123.130 119.914 0.029 0.000 2.439 187 V HA 0.378 4.495 4.120 -0.005 0.000 0.282 187 V C -0.077 176.033 176.094 0.028 0.000 1.039 187 V CA -0.825 61.496 62.300 0.035 0.000 0.913 187 V CB 0.760 32.610 31.823 0.046 0.000 0.983 187 V HN 0.788 nan 8.190 nan 0.000 0.460 188 I N 5.917 126.514 120.570 0.044 0.000 2.342 188 I HA 0.373 4.540 4.170 -0.005 0.000 0.291 188 I C 0.527 176.668 176.117 0.040 0.000 1.010 188 I CA 0.056 61.391 61.300 0.058 0.000 1.308 188 I CB 0.524 38.590 38.000 0.110 0.000 1.400 188 I HN 0.441 nan 8.210 nan 0.000 0.488 189 K N 4.942 125.342 120.400 -0.000 0.000 2.168 189 K HA 0.644 4.961 4.320 -0.005 0.000 0.239 189 K C -0.493 176.095 176.600 -0.020 0.000 0.999 189 K CA -0.765 55.458 56.287 -0.108 0.000 0.900 189 K CB 1.577 34.002 32.500 -0.125 0.000 1.111 189 K HN 0.816 nan 8.250 nan 0.000 0.452 190 H N -3.742 115.342 119.070 0.024 0.000 2.960 190 H HA 0.375 4.928 4.556 -0.005 0.000 0.338 190 H C 0.297 175.634 175.328 0.014 0.000 1.261 190 H CA -0.796 55.266 56.048 0.023 0.000 1.136 190 H CB 0.788 30.567 29.762 0.028 0.000 1.875 190 H HN 0.527 nan 8.280 nan 0.000 0.550 191 T N -3.269 111.400 114.554 0.192 0.000 3.023 191 T HA 0.154 4.501 4.350 -0.005 0.000 0.253 191 T C 0.254 175.032 174.700 0.129 0.000 1.038 191 T CA -0.348 61.817 62.100 0.109 0.000 0.962 191 T CB -0.006 68.900 68.868 0.064 0.000 1.018 191 T HN 0.444 nan 8.240 nan 0.000 0.521 192 E N 3.212 123.525 120.200 0.188 0.000 2.408 192 E HA 0.280 4.627 4.350 -0.005 0.000 0.259 192 E C -2.476 174.209 176.600 0.142 0.000 1.110 192 E CA -2.317 54.155 56.400 0.120 0.000 0.929 192 E CB 0.180 29.910 29.700 0.051 0.000 0.971 192 E HN 0.268 nan 8.360 nan 0.000 0.438 193 P HA 0.076 nan 4.420 nan 0.000 0.275 193 P C -0.439 176.934 177.300 0.121 0.000 1.228 193 P CA -0.221 62.930 63.100 0.084 0.000 0.786 193 P CB 0.544 32.267 31.700 0.039 0.000 0.927 194 V N 5.752 125.766 119.914 0.166 0.000 2.288 194 V HA 0.118 4.235 4.120 -0.005 0.000 0.266 194 V C -1.210 174.997 176.094 0.189 0.000 1.048 194 V CA -1.406 61.019 62.300 0.207 0.000 0.842 194 V CB 0.589 32.573 31.823 0.267 0.000 1.064 194 V HN 0.544 nan 8.190 nan 0.000 0.472 195 P HA -0.195 nan 4.420 nan 0.000 0.213 195 P C 0.639 177.995 177.300 0.094 0.000 1.176 195 P CA 1.038 64.181 63.100 0.072 0.000 0.919 195 P CB 0.015 31.745 31.700 0.051 0.000 0.791 196 D N 0.438 120.903 120.400 0.109 0.000 2.660 196 D HA -0.075 4.562 4.640 -0.005 0.000 0.253 196 D C -1.317 175.100 176.300 0.195 0.000 1.256 196 D CA -0.956 53.113 54.000 0.115 0.000 0.914 196 D CB 0.181 41.039 40.800 0.096 0.000 1.137 196 D HN 0.119 nan 8.370 nan 0.000 0.542 197 P HA -0.098 nan 4.420 nan 0.000 0.225 197 P C 0.685 178.123 177.300 0.230 0.000 1.148 197 P CA 0.840 64.061 63.100 0.202 0.000 0.779 197 P CB 0.203 31.949 31.700 0.077 0.000 0.780 198 R N -0.490 120.093 120.500 0.139 0.000 2.356 198 R HA 0.346 4.683 4.340 -0.005 0.000 0.234 198 R C 0.621 176.950 176.300 0.049 0.000 0.929 198 R CA -0.318 55.831 56.100 0.082 0.000 1.084 198 R CB 0.010 30.346 30.300 0.060 0.000 1.105 198 R HN 0.063 nan 8.270 nan 0.000 0.515 199 A N 1.554 124.401 122.820 0.044 0.000 2.524 199 A HA 0.216 4.533 4.320 -0.005 0.000 0.250 199 A C 0.857 178.392 177.584 -0.082 0.000 1.078 199 A CA -0.337 51.686 52.037 -0.023 0.000 0.761 199 A CB 0.078 19.048 19.000 -0.051 0.000 1.012 199 A HN 0.153 nan 8.150 nan 0.000 0.500 200 V N 1.737 121.629 119.914 -0.037 0.000 3.385 200 V HA 0.158 4.275 4.120 -0.005 0.000 0.301 200 V C 1.270 177.330 176.094 -0.057 0.000 1.082 200 V CA -0.397 61.875 62.300 -0.048 0.000 1.085 200 V CB 0.118 31.930 31.823 -0.019 0.000 1.152 200 V HN 0.836 nan 8.190 nan 0.000 0.465 201 N N 0.564 119.202 118.700 -0.104 0.000 2.137 201 N HA -0.206 4.531 4.740 -0.005 0.000 0.190 201 N C 1.638 177.154 175.510 0.011 0.000 1.017 201 N CA 1.938 54.903 53.050 -0.142 0.000 0.859 201 N CB -0.500 37.696 38.487 -0.485 0.000 1.002 201 N HN 0.821 nan 8.380 nan 0.000 0.428 202 Q N 0.296 120.092 119.800 -0.008 0.000 2.437 202 Q HA -0.017 4.320 4.340 -0.005 0.000 0.210 202 Q C 0.691 176.727 176.000 0.059 0.000 0.972 202 Q CA 0.792 56.617 55.803 0.036 0.000 0.903 202 Q CB 0.181 28.934 28.738 0.025 0.000 0.967 202 Q HN 0.370 nan 8.270 nan 0.000 0.486 203 D N -0.476 119.953 120.400 0.049 0.000 2.392 203 D HA 0.020 4.657 4.640 -0.005 0.000 0.206 203 D C -0.121 176.210 176.300 0.051 0.000 1.046 203 D CA 0.198 54.230 54.000 0.054 0.000 0.865 203 D CB 0.301 41.124 40.800 0.037 0.000 0.969 203 D HN 0.139 nan 8.370 nan 0.000 0.509 204 K N 1.788 122.219 120.400 0.051 0.000 2.243 204 K HA 0.103 4.420 4.320 -0.005 0.000 0.232 204 K C 0.826 177.418 176.600 -0.015 0.000 1.237 204 K CA 0.084 56.389 56.287 0.030 0.000 1.161 204 K CB 0.228 32.796 32.500 0.114 0.000 1.505 204 K HN -0.069 nan 8.250 nan 0.000 0.271 205 K N 1.118 121.470 120.400 -0.079 0.000 2.551 205 K HA -0.059 4.258 4.320 -0.005 0.000 0.192 205 K C 0.645 176.944 176.600 -0.502 0.000 1.027 205 K CA 0.493 56.597 56.287 -0.306 0.000 1.059 205 K CB 0.059 32.313 32.500 -0.410 0.000 0.831 205 K HN 0.408 nan 8.250 nan 0.000 0.508 206 N N -0.438 118.103 118.700 -0.265 0.000 2.200 206 N HA 0.056 4.793 4.740 -0.005 0.000 0.224 206 N C -0.258 175.156 175.510 -0.160 0.000 1.179 206 N CA -0.079 52.862 53.050 -0.181 0.000 0.877 206 N CB 0.441 38.914 38.487 -0.024 0.000 1.072 206 N HN -0.116 nan 8.380 nan 0.000 0.519 207 M N 0.722 120.169 119.600 -0.256 0.000 2.598 207 M HA 0.483 4.960 4.480 -0.005 0.000 0.317 207 M C -0.893 175.040 176.300 -0.612 0.000 1.179 207 M CA -0.572 54.470 55.300 -0.429 0.000 0.936 207 M CB 2.259 34.514 32.600 -0.575 0.000 1.713 207 M HN -0.067 nan 8.290 nan 0.000 0.460 208 L N 2.181 123.051 121.223 -0.589 0.000 2.356 208 L HA 0.572 4.909 4.340 -0.005 0.000 0.277 208 L C -1.298 175.257 176.870 -0.525 0.000 0.996 208 L CA -0.418 54.150 54.840 -0.453 0.000 0.822 208 L CB 1.481 43.418 42.059 -0.204 0.000 1.256 208 L HN 0.514 nan 8.230 nan 0.000 0.413 209 F N 0.671 120.611 119.950 -0.017 0.000 2.421 209 F HA 0.312 4.836 4.527 -0.005 0.000 0.337 209 F C 0.982 176.775 175.800 -0.012 0.000 1.105 209 F CA -0.567 57.424 58.000 -0.015 0.000 1.049 209 F CB 1.855 40.845 39.000 -0.016 0.000 1.139 209 F HN 0.370 nan 8.300 nan 0.000 0.479 210 S N 1.810 117.612 115.700 0.168 0.000 2.552 210 S HA 0.366 4.833 4.470 -0.005 0.000 0.289 210 S C 1.033 175.686 174.600 0.089 0.000 1.304 210 S CA 0.955 59.209 58.200 0.090 0.000 1.063 210 S CB 0.040 63.280 63.200 0.066 0.000 0.848 210 S HN 1.159 nan 8.310 nan 0.000 0.499 211 G N 3.039 111.873 108.800 0.058 0.000 2.279 211 G HA2 -0.256 3.702 3.960 -0.005 0.000 0.223 211 G HA3 -0.256 3.702 3.960 -0.005 0.000 0.223 211 G C 0.369 175.299 174.900 0.049 0.000 1.015 211 G CA 0.426 45.553 45.100 0.045 0.000 0.621 211 G HN 1.394 nan 8.290 nan 0.000 0.506 212 T N -0.206 114.392 114.554 0.073 0.000 2.788 212 T HA 0.552 4.899 4.350 -0.005 0.000 0.280 212 T C 0.028 174.755 174.700 0.045 0.000 0.984 212 T CA 0.416 62.558 62.100 0.070 0.000 0.972 212 T CB 1.587 70.524 68.868 0.115 0.000 1.039 212 T HN 1.356 nan 8.240 nan 0.000 0.530 213 N N -0.953 117.770 118.700 0.038 0.000 2.262 213 N HA 0.452 5.189 4.740 -0.005 0.000 0.295 213 N C -1.085 174.437 175.510 0.020 0.000 1.161 213 N CA -1.136 51.928 53.050 0.024 0.000 0.767 213 N CB 1.009 39.509 38.487 0.021 0.000 1.499 213 N HN 0.477 nan 8.380 nan 0.000 0.476 214 I N 1.456 122.032 120.570 0.011 0.000 2.452 214 I HA 0.192 4.359 4.170 -0.005 0.000 0.287 214 I C 1.248 177.369 176.117 0.006 0.000 1.079 214 I CA -0.228 61.077 61.300 0.007 0.000 1.387 214 I CB 0.091 38.093 38.000 0.003 0.000 1.404 214 I HN 0.955 nan 8.210 nan 0.000 0.522 215 A N 5.733 128.557 122.820 0.007 0.000 1.903 215 A HA 0.514 4.831 4.320 -0.005 0.000 0.213 215 A C 1.012 178.594 177.584 -0.004 0.000 1.185 215 A CA 1.092 53.130 52.037 0.001 0.000 0.628 215 A CB 0.129 19.131 19.000 0.002 0.000 0.830 215 A HN 0.814 nan 8.150 nan 0.000 0.446 216 A N -2.980 119.841 122.820 0.002 0.000 2.589 216 A HA 0.647 4.964 4.320 -0.005 0.000 0.296 216 A C 0.287 177.882 177.584 0.020 0.000 1.062 216 A CA 0.163 52.205 52.037 0.008 0.000 0.686 216 A CB 0.120 19.122 19.000 0.003 0.000 1.282 216 A HN 2.190 nan 8.150 nan 0.000 0.404 217 G N 0.253 109.070 108.800 0.028 0.000 2.610 217 G HA2 0.309 4.266 3.960 -0.005 0.000 0.304 217 G HA3 0.309 4.266 3.960 -0.005 0.000 0.304 217 G C -0.545 174.372 174.900 0.030 0.000 1.309 217 G CA 0.008 45.130 45.100 0.036 0.000 0.906 217 G HN 1.381 nan 8.290 nan 0.000 0.521 218 K N -0.593 119.827 120.400 0.033 0.000 2.523 218 K HA 0.772 5.089 4.320 -0.005 0.000 0.257 218 K C -0.514 176.105 176.600 0.031 0.000 0.932 218 K CA -0.117 56.188 56.287 0.031 0.000 0.812 218 K CB 1.748 34.270 32.500 0.038 0.000 1.326 218 K HN 2.120 nan 8.250 nan 0.000 0.433 219 A N 2.783 125.620 122.820 0.028 0.000 2.612 219 A HA 0.664 4.981 4.320 -0.005 0.000 0.293 219 A C -2.275 175.329 177.584 0.034 0.000 1.075 219 A CA -0.720 51.332 52.037 0.025 0.000 0.680 219 A CB 1.552 20.558 19.000 0.010 0.000 1.279 219 A HN 0.527 nan 8.150 nan 0.000 0.411 220 L N 0.696 121.938 121.223 0.032 0.000 2.346 220 L HA 0.908 5.245 4.340 -0.005 0.000 0.276 220 L C 0.358 177.239 176.870 0.019 0.000 1.006 220 L CA 0.667 55.534 54.840 0.045 0.000 0.817 220 L CB 1.899 43.982 42.059 0.040 0.000 1.272 220 L HN 1.318 nan 8.230 nan 0.000 0.421 221 G N 3.720 112.530 108.800 0.017 0.000 2.721 221 G HA2 0.523 4.480 3.960 -0.005 0.000 0.296 221 G HA3 0.523 4.480 3.960 -0.005 0.000 0.296 221 G C -2.007 172.887 174.900 -0.011 0.000 1.383 221 G CA -0.558 44.539 45.100 -0.005 0.000 0.788 221 G HN 0.685 nan 8.290 nan 0.000 0.500 222 I N 0.768 121.323 120.570 -0.025 0.000 2.436 222 I HA 0.477 4.644 4.170 -0.005 0.000 0.289 222 I C -0.244 175.821 176.117 -0.087 0.000 1.010 222 I CA -0.938 60.331 61.300 -0.051 0.000 1.098 222 I CB 1.809 39.801 38.000 -0.013 0.000 1.266 222 I HN 0.273 nan 8.210 nan 0.000 0.434 223 V N 8.331 128.159 119.914 -0.143 0.000 2.493 223 V HA 0.034 4.151 4.120 -0.005 0.000 0.292 223 V C 1.168 177.158 176.094 -0.173 0.000 1.016 223 V CA 0.912 63.119 62.300 -0.155 0.000 1.097 223 V CB 0.544 32.261 31.823 -0.177 0.000 0.947 223 V HN 0.970 nan 8.190 nan 0.000 0.479 224 A N 4.633 127.409 122.820 -0.073 0.000 1.901 224 A HA 0.289 4.606 4.320 -0.005 0.000 0.210 224 A C 1.086 178.668 177.584 -0.004 0.000 1.208 224 A CA 1.173 53.215 52.037 0.009 0.000 0.644 224 A CB 0.120 19.131 19.000 0.019 0.000 0.863 224 A HN 0.903 nan 8.150 nan 0.000 0.454 225 T N -3.595 110.940 114.554 -0.031 0.000 2.843 225 T HA 0.598 4.945 4.350 -0.005 0.000 0.302 225 T C -0.497 174.187 174.700 -0.027 0.000 1.232 225 T CA 0.133 62.215 62.100 -0.031 0.000 1.009 225 T CB 1.560 70.440 68.868 0.020 0.000 1.254 225 T HN 0.854 nan 8.240 nan 0.000 0.504 226 T N -2.499 112.048 114.554 -0.012 0.000 2.754 226 T HA 0.787 5.134 4.350 -0.005 0.000 0.296 226 T C 0.989 175.715 174.700 0.043 0.000 1.205 226 T CA 0.271 62.379 62.100 0.012 0.000 1.009 226 T CB 0.992 69.861 68.868 0.003 0.000 1.368 226 T HN 2.289 nan 8.240 nan 0.000 0.509 227 G N 0.313 109.143 108.800 0.050 0.000 2.622 227 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.307 227 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.307 227 G C 1.134 176.062 174.900 0.048 0.000 1.226 227 G CA 1.846 46.980 45.100 0.058 0.000 0.997 227 G HN 2.152 nan 8.290 nan 0.000 0.551 228 V N -2.127 117.817 119.914 0.050 0.000 3.461 228 V HA 0.360 4.477 4.120 -0.005 0.000 0.267 228 V C 2.193 178.312 176.094 0.041 0.000 1.186 228 V CA 2.494 64.817 62.300 0.040 0.000 1.154 228 V CB 0.357 32.202 31.823 0.037 0.000 0.802 228 V HN 0.731 nan 8.190 nan 0.000 0.474 229 S N 0.924 116.655 115.700 0.051 0.000 2.558 229 S HA 0.072 4.539 4.470 -0.005 0.000 0.217 229 S C 1.151 175.782 174.600 0.051 0.000 0.975 229 S CA 0.718 58.950 58.200 0.052 0.000 0.912 229 S CB -0.316 62.921 63.200 0.061 0.000 0.776 229 S HN 0.947 nan 8.310 nan 0.000 0.526 230 T N 0.117 114.701 114.554 0.050 0.000 2.882 230 T HA 0.278 4.625 4.350 -0.005 0.000 0.287 230 T C 1.007 175.738 174.700 0.052 0.000 1.014 230 T CA -0.593 61.547 62.100 0.065 0.000 1.049 230 T CB 0.728 69.635 68.868 0.064 0.000 1.001 230 T HN -0.120 nan 8.240 nan 0.000 0.525 231 E N 0.373 120.613 120.200 0.067 0.000 2.097 231 E HA -0.131 4.216 4.350 -0.005 0.000 0.196 231 E C 1.781 178.361 176.600 -0.035 0.000 1.000 231 E CA 0.817 57.206 56.400 -0.018 0.000 0.804 231 E CB -0.304 29.317 29.700 -0.130 0.000 0.740 231 E HN 0.666 nan 8.360 nan 0.000 0.454 232 I N 0.588 121.155 120.570 -0.005 0.000 2.546 232 I HA -0.080 4.087 4.170 -0.005 0.000 0.255 232 I C 1.942 178.058 176.117 -0.002 0.000 1.163 232 I CA 1.258 62.553 61.300 -0.009 0.000 1.457 232 I CB -0.883 37.123 38.000 0.010 0.000 1.092 232 I HN -0.007 nan 8.210 nan 0.000 0.434 233 G N 1.052 109.858 108.800 0.011 0.000 2.404 233 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.215 233 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.215 233 G C 1.755 176.658 174.900 0.005 0.000 1.174 233 G CA 0.458 45.566 45.100 0.014 0.000 0.780 233 G HN 0.353 nan 8.290 nan 0.000 0.537 234 K N -0.081 120.319 120.400 0.001 0.000 2.063 234 K HA -0.025 4.292 4.320 -0.005 0.000 0.208 234 K C 2.357 178.946 176.600 -0.019 0.000 1.048 234 K CA 0.924 57.207 56.287 -0.007 0.000 0.928 234 K CB -0.161 32.331 32.500 -0.013 0.000 0.713 234 K HN 0.202 nan 8.250 nan 0.000 0.442 235 I N 1.184 121.738 120.570 -0.027 0.000 2.315 235 I HA -0.211 3.956 4.170 -0.005 0.000 0.248 235 I C 2.458 178.560 176.117 -0.025 0.000 1.117 235 I CA 1.163 62.443 61.300 -0.033 0.000 1.404 235 I CB -0.980 36.994 38.000 -0.042 0.000 1.071 235 I HN 0.234 nan 8.210 nan 0.000 0.419 236 R N 1.409 121.899 120.500 -0.017 0.000 2.083 236 R HA -0.205 4.132 4.340 -0.005 0.000 0.237 236 R C 1.646 177.939 176.300 -0.012 0.000 1.137 236 R CA 1.932 58.025 56.100 -0.012 0.000 0.951 236 R CB -0.387 29.910 30.300 -0.005 0.000 0.851 236 R HN 0.297 nan 8.270 nan 0.000 0.434 237 D N 0.407 120.801 120.400 -0.009 0.000 2.097 237 D HA -0.163 4.474 4.640 -0.005 0.000 0.197 237 D C 1.913 178.203 176.300 -0.015 0.000 0.984 237 D CA 1.108 55.103 54.000 -0.008 0.000 0.826 237 D CB -0.301 40.498 40.800 -0.003 0.000 0.973 237 D HN 0.339 nan 8.370 nan 0.000 0.460 238 Q N -0.114 119.673 119.800 -0.021 0.000 2.077 238 Q HA -0.204 4.133 4.340 -0.005 0.000 0.206 238 Q C 2.145 178.126 176.000 -0.031 0.000 0.989 238 Q CA 1.562 57.347 55.803 -0.029 0.000 0.853 238 Q CB -0.149 28.566 28.738 -0.037 0.000 0.907 238 Q HN 0.229 nan 8.270 nan 0.000 0.418 239 M N -0.329 119.253 119.600 -0.030 0.000 2.086 239 M HA -0.180 4.297 4.480 -0.005 0.000 0.261 239 M C 2.025 178.309 176.300 -0.026 0.000 1.067 239 M CA 2.022 57.304 55.300 -0.030 0.000 1.116 239 M CB -0.394 32.189 32.600 -0.028 0.000 1.348 239 M HN 0.347 nan 8.290 nan 0.000 0.407 240 A N 0.196 123.004 122.820 -0.020 0.000 1.972 240 A HA -0.025 4.292 4.320 -0.005 0.000 0.219 240 A C 2.284 179.858 177.584 -0.017 0.000 1.169 240 A CA 1.891 53.918 52.037 -0.017 0.000 0.635 240 A CB -1.031 17.962 19.000 -0.011 0.000 0.810 240 A HN 0.700 nan 8.150 nan 0.000 0.446 241 A N -0.178 122.631 122.820 -0.019 0.000 2.014 241 A HA 0.131 4.448 4.320 -0.005 0.000 0.218 241 A C 1.675 179.244 177.584 -0.025 0.000 1.163 241 A CA 1.460 53.485 52.037 -0.020 0.000 0.652 241 A CB -1.322 17.665 19.000 -0.021 0.000 0.808 241 A HN 0.745 nan 8.150 nan 0.000 0.449 242 T N -0.715 113.822 114.554 -0.029 0.000 2.930 242 T HA 0.399 4.746 4.350 -0.005 0.000 0.306 242 T C -0.313 174.370 174.700 -0.028 0.000 1.045 242 T CA -0.256 61.824 62.100 -0.033 0.000 1.134 242 T CB 0.827 69.672 68.868 -0.038 0.000 0.961 242 T HN 0.383 nan 8.240 nan 0.000 0.545 243 E N 1.234 121.417 120.200 -0.029 0.000 2.214 243 E HA 0.236 4.583 4.350 -0.005 0.000 0.274 243 E C 0.514 177.098 176.600 -0.027 0.000 0.977 243 E CA -0.725 55.660 56.400 -0.025 0.000 0.827 243 E CB 1.240 30.926 29.700 -0.023 0.000 1.130 243 E HN 0.549 nan 8.360 nan 0.000 0.394 244 Q N 2.139 121.924 119.800 -0.025 0.000 2.212 244 Q HA 0.003 4.340 4.340 -0.005 0.000 0.213 244 Q C -0.245 175.741 176.000 -0.024 0.000 0.874 244 Q CA 0.045 55.833 55.803 -0.026 0.000 0.965 244 Q CB 0.266 28.988 28.738 -0.026 0.000 1.074 244 Q HN 0.642 nan 8.270 nan 0.000 0.473 245 D N 1.157 121.544 120.400 -0.022 0.000 2.947 245 D HA -0.280 4.357 4.640 -0.005 0.000 0.540 245 D C 0.291 176.580 176.300 -0.017 0.000 0.783 245 D CA 2.059 56.047 54.000 -0.019 0.000 1.558 245 D CB -0.049 40.740 40.800 -0.019 0.000 0.353 245 D HN 0.273 nan 8.370 nan 0.000 0.433 246 K N -2.643 117.746 120.400 -0.019 0.000 2.544 246 K HA 0.426 4.743 4.320 -0.005 0.000 0.282 246 K C -0.814 175.773 176.600 -0.021 0.000 1.020 246 K CA -0.248 56.029 56.287 -0.017 0.000 0.830 246 K CB 1.803 34.296 32.500 -0.012 0.000 1.521 246 K HN 0.223 nan 8.250 nan 0.000 0.376 247 T N -0.801 113.741 114.554 -0.019 0.000 2.855 247 T HA 0.390 4.737 4.350 -0.005 0.000 0.281 247 T C -2.163 172.524 174.700 -0.023 0.000 1.007 247 T CA -2.290 59.796 62.100 -0.024 0.000 1.009 247 T CB 1.311 70.165 68.868 -0.023 0.000 0.983 247 T HN 0.135 nan 8.240 nan 0.000 0.455 248 P HA -0.071 nan 4.420 nan 0.000 0.215 248 P C 1.597 178.873 177.300 -0.040 0.000 1.157 248 P CA 0.803 63.877 63.100 -0.044 0.000 0.868 248 P CB 0.003 31.665 31.700 -0.065 0.000 0.788 249 L N -0.082 121.121 121.223 -0.033 0.000 2.168 249 L HA 0.014 4.351 4.340 -0.005 0.000 0.203 249 L C 2.603 179.485 176.870 0.019 0.000 1.078 249 L CA 1.637 56.476 54.840 -0.002 0.000 0.780 249 L CB -1.818 40.250 42.059 0.014 0.000 0.939 249 L HN -0.135 nan 8.230 nan 0.000 0.451 250 Q N -0.400 119.405 119.800 0.009 0.000 2.152 250 Q HA -0.297 4.040 4.340 -0.005 0.000 0.206 250 Q C 2.155 178.168 176.000 0.021 0.000 0.985 250 Q CA 2.405 58.216 55.803 0.014 0.000 0.863 250 Q CB -0.631 28.108 28.738 0.000 0.000 0.904 250 Q HN 0.694 nan 8.270 nan 0.000 0.422 251 Q N -0.194 119.613 119.800 0.011 0.000 2.181 251 Q HA -0.184 4.153 4.340 -0.005 0.000 0.205 251 Q C 1.890 177.907 176.000 0.028 0.000 0.980 251 Q CA 1.588 57.400 55.803 0.014 0.000 0.862 251 Q CB 0.058 28.798 28.738 0.003 0.000 0.905 251 Q HN 0.281 nan 8.270 nan 0.000 0.429 252 K N 0.475 120.894 120.400 0.031 0.000 2.057 252 K HA -0.079 4.238 4.320 -0.005 0.000 0.207 252 K C 1.990 178.623 176.600 0.056 0.000 1.049 252 K CA 0.932 57.242 56.287 0.038 0.000 0.931 252 K CB -0.264 32.265 32.500 0.048 0.000 0.714 252 K HN 0.184 nan 8.250 nan 0.000 0.440 253 L N 0.266 121.531 121.223 0.069 0.000 2.156 253 L HA -0.108 4.229 4.340 -0.005 0.000 0.208 253 L C 1.409 178.352 176.870 0.121 0.000 1.095 253 L CA 0.916 55.824 54.840 0.113 0.000 0.770 253 L CB -0.509 41.604 42.059 0.089 0.000 0.914 253 L HN 0.080 nan 8.230 nan 0.000 0.439 254 D N 0.448 120.894 120.400 0.077 0.000 2.144 254 D HA -0.163 4.474 4.640 -0.005 0.000 0.200 254 D C 2.118 178.464 176.300 0.076 0.000 0.978 254 D CA 1.012 55.048 54.000 0.060 0.000 0.833 254 D CB 0.006 40.828 40.800 0.036 0.000 0.961 254 D HN 0.371 nan 8.370 nan 0.000 0.470 255 E N -0.572 119.682 120.200 0.090 0.000 2.152 255 E HA -0.109 4.238 4.350 -0.005 0.000 0.192 255 E C 1.619 178.339 176.600 0.201 0.000 0.983 255 E CA 0.194 56.656 56.400 0.104 0.000 0.818 255 E CB -0.045 29.701 29.700 0.077 0.000 0.758 255 E HN 0.181 nan 8.360 nan 0.000 0.467 256 F N 1.002 120.955 119.950 0.006 0.000 2.502 256 F HA 0.070 4.594 4.527 -0.005 0.000 0.298 256 F C 2.100 177.902 175.800 0.003 0.000 1.111 256 F CA 0.765 58.768 58.000 0.005 0.000 1.445 256 F CB -0.520 38.486 39.000 0.009 0.000 1.081 256 F HN -0.071 nan 8.300 nan 0.000 0.558 257 G N -0.271 108.585 108.800 0.092 0.000 2.501 257 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.220 257 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.220 257 G C 1.637 176.511 174.900 -0.044 0.000 1.114 257 G CA 0.800 45.892 45.100 -0.013 0.000 0.757 257 G HN 0.445 nan 8.290 nan 0.000 0.559 258 E N 0.063 120.263 120.200 0.000 0.000 2.006 258 E HA -0.178 4.169 4.350 -0.005 0.000 0.192 258 E C 2.275 178.836 176.600 -0.065 0.000 0.993 258 E CA 0.905 57.298 56.400 -0.011 0.000 0.808 258 E CB -0.454 29.266 29.700 0.033 0.000 0.764 258 E HN 0.434 nan 8.360 nan 0.000 0.449 259 Q N 0.173 119.924 119.800 -0.082 0.000 2.197 259 Q HA -0.179 4.158 4.340 -0.005 0.000 0.207 259 Q C 2.344 178.211 176.000 -0.221 0.000 0.984 259 Q CA 1.409 57.125 55.803 -0.145 0.000 0.869 259 Q CB 0.026 28.661 28.738 -0.172 0.000 0.906 259 Q HN 0.413 nan 8.270 nan 0.000 0.426 260 L N -1.359 119.690 121.223 -0.291 0.000 2.200 260 L HA -0.014 4.323 4.340 -0.005 0.000 0.200 260 L C 2.546 179.338 176.870 -0.129 0.000 1.072 260 L CA 0.751 55.456 54.840 -0.224 0.000 0.787 260 L CB -0.725 41.178 42.059 -0.260 0.000 0.957 260 L HN 0.075 nan 8.230 nan 0.000 0.459 261 S N 0.458 116.095 115.700 -0.106 0.000 2.387 261 S HA -0.269 4.198 4.470 -0.005 0.000 0.230 261 S C 2.076 176.639 174.600 -0.062 0.000 1.035 261 S CA 1.726 59.885 58.200 -0.070 0.000 1.014 261 S CB -0.157 63.013 63.200 -0.051 0.000 0.836 261 S HN 0.268 nan 8.310 nan 0.000 0.466 262 K N 0.329 120.692 120.400 -0.063 0.000 2.103 262 K HA -0.070 4.247 4.320 -0.005 0.000 0.207 262 K C 1.824 178.394 176.600 -0.049 0.000 1.048 262 K CA 1.604 57.860 56.287 -0.051 0.000 0.930 262 K CB -0.232 32.240 32.500 -0.047 0.000 0.716 262 K HN 0.369 nan 8.250 nan 0.000 0.444 263 V N 1.863 121.742 119.914 -0.059 0.000 2.594 263 V HA -0.243 3.874 4.120 -0.005 0.000 0.253 263 V C 2.212 178.273 176.094 -0.055 0.000 1.069 263 V CA 0.974 63.242 62.300 -0.053 0.000 1.082 263 V CB -0.516 31.270 31.823 -0.062 0.000 0.680 263 V HN 0.302 nan 8.190 nan 0.000 0.469 264 I N 0.533 121.068 120.570 -0.057 0.000 2.194 264 I HA -0.244 3.923 4.170 -0.005 0.000 0.246 264 I C 2.617 178.707 176.117 -0.044 0.000 1.093 264 I CA 2.189 63.457 61.300 -0.053 0.000 1.355 264 I CB -1.410 36.562 38.000 -0.047 0.000 1.046 264 I HN 0.431 nan 8.210 nan 0.000 0.413 265 S N 0.187 115.862 115.700 -0.042 0.000 2.406 265 S HA -0.008 4.459 4.470 -0.005 0.000 0.224 265 S C 2.021 176.597 174.600 -0.040 0.000 1.030 265 S CA 0.178 58.354 58.200 -0.040 0.000 0.958 265 S CB -0.159 63.016 63.200 -0.043 0.000 0.811 265 S HN 0.319 nan 8.310 nan 0.000 0.489 266 L N 1.718 122.916 121.223 -0.042 0.000 2.013 266 L HA -0.081 4.256 4.340 -0.005 0.000 0.212 266 L C 2.073 178.910 176.870 -0.055 0.000 1.073 266 L CA 1.835 56.650 54.840 -0.043 0.000 0.753 266 L CB -1.074 40.962 42.059 -0.039 0.000 0.890 266 L HN 0.343 nan 8.230 nan 0.000 0.432 267 I N -0.413 120.123 120.570 -0.058 0.000 2.315 267 I HA -0.275 3.892 4.170 -0.005 0.000 0.248 267 I C 2.885 178.982 176.117 -0.034 0.000 1.117 267 I CA 0.820 62.082 61.300 -0.063 0.000 1.404 267 I CB -1.506 36.456 38.000 -0.063 0.000 1.071 267 I HN 0.358 nan 8.210 nan 0.000 0.419 268 C N 0.015 119.303 119.300 -0.021 0.000 2.413 268 C HA -0.127 4.330 4.460 -0.005 0.000 0.277 268 C C 2.951 177.974 174.990 0.055 0.000 1.265 268 C CA 0.638 59.661 59.018 0.009 0.000 1.752 268 C CB -0.790 26.945 27.740 -0.007 0.000 1.998 268 C HN 0.329 nan 8.230 nan 0.000 0.489 269 V N 1.160 121.095 119.914 0.034 0.000 2.307 269 V HA -0.166 3.951 4.120 -0.005 0.000 0.245 269 V C 2.709 178.895 176.094 0.153 0.000 1.045 269 V CA 2.163 64.525 62.300 0.104 0.000 1.024 269 V CB -1.324 30.522 31.823 0.039 0.000 0.651 269 V HN 0.574 nan 8.190 nan 0.000 0.449 270 A N -0.237 122.592 122.820 0.015 0.000 1.908 270 A HA -0.169 4.148 4.320 -0.005 0.000 0.218 270 A C 2.411 180.045 177.584 0.083 0.000 1.181 270 A CA 2.186 54.191 52.037 -0.054 0.000 0.627 270 A CB -0.707 18.099 19.000 -0.324 0.000 0.818 270 A HN 0.321 nan 8.150 nan 0.000 0.445 271 V N -1.942 118.011 119.914 0.065 0.000 2.270 271 V HA -0.247 3.870 4.120 -0.005 0.000 0.245 271 V C 2.170 178.313 176.094 0.081 0.000 1.043 271 V CA 1.847 64.168 62.300 0.036 0.000 1.014 271 V CB -1.032 30.777 31.823 -0.023 0.000 0.645 271 V HN 0.900 nan 8.190 nan 0.000 0.447 272 W N 0.623 121.901 121.300 -0.038 0.000 2.285 272 W HA -0.280 4.377 4.660 -0.005 0.000 0.290 272 W C 1.942 178.471 176.519 0.018 0.000 1.217 272 W CA 1.793 59.128 57.345 -0.017 0.000 1.207 272 W CB -0.451 29.001 29.460 -0.014 0.000 1.136 272 W HN 0.219 nan 8.180 nan 0.000 0.546 273 L N 0.622 121.764 121.223 -0.135 0.000 2.362 273 L HA -0.138 4.199 4.340 -0.005 0.000 0.219 273 L C 2.189 178.953 176.870 -0.176 0.000 1.134 273 L CA 1.399 56.050 54.840 -0.314 0.000 0.807 273 L CB -0.430 41.586 42.059 -0.071 0.000 0.927 273 L HN 0.233 nan 8.230 nan 0.000 0.447 274 I N -5.710 114.822 120.570 -0.063 0.000 4.139 274 I HA 0.104 4.271 4.170 -0.005 0.000 0.320 274 I C 1.779 177.984 176.117 0.146 0.000 1.290 274 I CA 0.065 61.392 61.300 0.046 0.000 1.253 274 I CB -0.259 37.782 38.000 0.067 0.000 1.122 274 I HN -0.019 nan 8.210 nan 0.000 0.421 275 N N 2.859 121.611 118.700 0.087 0.000 2.069 275 N HA -0.119 4.619 4.740 -0.005 0.000 0.191 275 N C 1.952 177.675 175.510 0.356 0.000 1.031 275 N CA 1.816 55.031 53.050 0.276 0.000 0.852 275 N CB -0.449 38.152 38.487 0.191 0.000 1.018 275 N HN 0.439 nan 8.380 nan 0.000 0.423 276 I N 0.629 121.280 120.570 0.135 0.000 2.454 276 I HA -0.124 4.043 4.170 -0.005 0.000 0.254 276 I C 2.177 178.439 176.117 0.243 0.000 1.156 276 I CA 0.941 62.316 61.300 0.124 0.000 1.433 276 I CB -0.698 37.270 38.000 -0.054 0.000 1.082 276 I HN 0.149 nan 8.210 nan 0.000 0.432 277 G N -0.319 108.624 108.800 0.237 0.000 2.527 277 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.219 277 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.219 277 G C 1.361 176.388 174.900 0.212 0.000 1.117 277 G CA 0.570 45.794 45.100 0.207 0.000 0.759 277 G HN 0.526 nan 8.290 nan 0.000 0.556 278 H N -1.752 117.455 119.070 0.228 0.000 2.740 278 H HA 0.179 4.732 4.556 -0.005 0.000 0.265 278 H C 0.702 176.106 175.328 0.128 0.000 0.978 278 H CA -0.369 55.772 56.048 0.154 0.000 1.198 278 H CB 0.498 30.335 29.762 0.125 0.000 1.467 278 H HN 0.311 nan 8.280 nan 0.000 0.511 279 F N 1.221 121.275 119.950 0.174 0.000 2.695 279 F HA 0.087 4.611 4.527 -0.004 0.000 0.301 279 F C 1.383 177.232 175.800 0.082 0.000 1.182 279 F CA 0.163 58.238 58.000 0.125 0.000 1.412 279 F CB 0.048 39.126 39.000 0.128 0.000 1.056 279 F HN 0.144 nan 8.300 nan 0.000 0.522 280 N N -0.299 118.499 118.700 0.164 0.000 2.445 280 N HA 0.002 4.739 4.740 -0.005 0.000 0.204 280 N C -0.284 175.248 175.510 0.037 0.000 1.098 280 N CA 0.353 53.458 53.050 0.092 0.000 0.859 280 N CB 0.293 38.824 38.487 0.074 0.000 1.249 280 N HN 0.284 nan 8.380 nan 0.000 0.462 281 D N 2.278 122.680 120.400 0.004 0.000 2.313 281 D HA 0.193 4.830 4.640 -0.005 0.000 0.239 281 D C -2.285 174.008 176.300 -0.011 0.000 1.142 281 D CA -1.630 52.358 54.000 -0.021 0.000 0.847 281 D CB 0.906 41.665 40.800 -0.068 0.000 1.082 281 D HN 0.021 nan 8.370 nan 0.000 0.480 282 P HA 0.024 nan 4.420 nan 0.000 0.259 282 P C -0.914 176.443 177.300 0.095 0.000 1.635 282 P CA -0.239 62.901 63.100 0.066 0.000 1.199 282 P CB 0.310 32.059 31.700 0.080 0.000 1.850 283 V N 5.025 124.977 119.914 0.063 0.000 2.540 283 V HA 0.325 4.442 4.120 -0.005 0.000 0.302 283 V C 0.213 176.346 176.094 0.065 0.000 1.035 283 V CA -0.602 61.683 62.300 -0.026 0.000 0.873 283 V CB 1.465 33.239 31.823 -0.081 0.000 0.992 283 V HN 0.565 nan 8.190 nan 0.000 0.428 284 H N 4.265 123.310 119.070 -0.041 0.000 2.587 284 H HA 0.394 4.947 4.556 -0.005 0.000 0.245 284 H C 0.639 175.947 175.328 -0.034 0.000 1.238 284 H CA -0.034 55.993 56.048 -0.035 0.000 0.963 284 H CB 0.476 30.223 29.762 -0.025 0.000 1.904 284 H HN 0.651 nan 8.280 nan 0.000 0.584 285 G N 0.534 109.294 108.800 -0.067 0.000 4.125 285 G HA2 0.446 4.403 3.960 -0.005 0.000 0.301 285 G HA3 0.446 4.403 3.960 -0.005 0.000 0.301 285 G C 0.461 175.332 174.900 -0.049 0.000 1.273 285 G CA -0.314 44.744 45.100 -0.069 0.000 1.095 285 G HN 0.684 nan 8.290 nan 0.000 0.582 286 G N -0.348 108.437 108.800 -0.024 0.000 2.244 286 G HA2 0.153 4.110 3.960 -0.005 0.000 0.236 286 G HA3 0.153 4.110 3.960 -0.005 0.000 0.236 286 G C -0.043 174.833 174.900 -0.040 0.000 1.632 286 G CA 0.122 45.201 45.100 -0.036 0.000 1.231 286 G HN 0.527 nan 8.290 nan 0.000 0.635 287 S N -0.228 115.475 115.700 0.006 0.000 2.154 287 S HA 0.382 4.849 4.470 -0.005 0.000 0.201 287 S C 0.872 175.495 174.600 0.039 0.000 1.305 287 S CA 0.136 58.360 58.200 0.041 0.000 1.238 287 S CB 0.300 63.562 63.200 0.103 0.000 0.810 287 S HN 0.594 nan 8.310 nan 0.000 0.411 288 W N 0.959 122.247 121.300 -0.019 0.000 3.430 288 W HA 0.387 5.044 4.660 -0.005 0.000 0.383 288 W C 0.398 176.919 176.519 0.004 0.000 1.129 288 W CA -0.061 57.280 57.345 -0.008 0.000 1.805 288 W CB -0.399 29.060 29.460 -0.001 0.000 0.966 288 W HN 0.359 nan 8.180 nan 0.000 0.797 289 I N -1.771 118.860 120.570 0.101 0.000 4.592 289 I HA 0.212 4.379 4.170 -0.005 0.000 0.329 289 I C 1.669 177.782 176.117 -0.007 0.000 1.309 289 I CA 0.053 61.389 61.300 0.060 0.000 1.243 289 I CB 0.288 38.324 38.000 0.059 0.000 1.241 289 I HN -0.225 nan 8.210 nan 0.000 0.434 290 R N 1.618 122.090 120.500 -0.048 0.000 3.296 290 R HA 0.464 4.801 4.340 -0.005 0.000 0.114 290 R C 0.615 176.845 176.300 -0.117 0.000 1.534 290 R CA 0.527 56.584 56.100 -0.072 0.000 1.220 290 R CB -0.627 29.639 30.300 -0.057 0.000 1.141 290 R HN 0.026 nan 8.270 nan 0.000 0.426 291 G N -0.138 108.589 108.800 -0.123 0.000 2.272 291 G HA2 0.369 4.326 3.960 -0.005 0.000 0.247 291 G HA3 0.369 4.326 3.960 -0.005 0.000 0.247 291 G C 0.301 175.053 174.900 -0.247 0.000 1.272 291 G CA 0.557 45.564 45.100 -0.154 0.000 0.921 291 G HN 0.918 nan 8.290 nan 0.000 0.495 292 A N 2.130 124.811 122.820 -0.231 0.000 2.420 292 A HA -0.081 4.236 4.320 -0.005 0.000 0.220 292 A C 0.997 178.516 177.584 -0.108 0.000 2.885 292 A CA -0.033 51.824 52.037 -0.299 0.000 1.558 292 A CB -1.077 17.638 19.000 -0.474 0.000 0.178 292 A HN 0.807 nan 8.150 nan 0.000 0.541 293 I N 0.808 121.366 120.570 -0.020 0.000 2.928 293 I HA 0.110 4.277 4.170 -0.005 0.000 0.301 293 I C 0.747 176.999 176.117 0.225 0.000 1.049 293 I CA 1.331 62.702 61.300 0.117 0.000 2.558 293 I CB -0.739 37.334 38.000 0.122 0.000 1.646 293 I HN 0.515 nan 8.210 nan 0.000 1.158 294 Y N 0.620 120.973 120.300 0.089 0.000 2.508 294 Y HA 0.018 4.566 4.550 -0.004 0.000 0.292 294 Y C 1.451 177.499 175.900 0.245 0.000 1.038 294 Y CA -0.320 57.862 58.100 0.136 0.000 0.969 294 Y CB -0.160 38.362 38.460 0.104 0.000 1.388 294 Y HN 0.153 nan 8.280 nan 0.000 0.570 295 Y N -0.994 119.343 120.300 0.061 0.000 2.128 295 Y HA -0.308 4.239 4.550 -0.005 0.000 0.284 295 Y C 2.027 177.981 175.900 0.089 0.000 1.154 295 Y CA 1.781 59.899 58.100 0.031 0.000 1.149 295 Y CB -0.204 38.294 38.460 0.062 0.000 0.976 295 Y HN 0.190 nan 8.280 nan 0.000 0.505 296 F N 0.558 120.543 119.950 0.058 0.000 2.615 296 F HA -0.032 4.492 4.527 -0.005 0.000 0.297 296 F C 2.181 177.943 175.800 -0.064 0.000 1.124 296 F CA 0.879 58.867 58.000 -0.020 0.000 1.451 296 F CB -0.254 38.720 39.000 -0.044 0.000 1.103 296 F HN -0.105 nan 8.300 nan 0.000 0.569 297 K N 1.062 121.479 120.400 0.029 0.000 2.057 297 K HA -0.141 4.176 4.320 -0.005 0.000 0.206 297 K C 1.875 178.390 176.600 -0.142 0.000 1.050 297 K CA 2.084 58.337 56.287 -0.058 0.000 0.935 297 K CB -0.340 32.154 32.500 -0.011 0.000 0.715 297 K HN 0.363 nan 8.250 nan 0.000 0.439 298 I N -0.954 119.481 120.570 -0.225 0.000 2.546 298 I HA 0.015 4.182 4.170 -0.005 0.000 0.255 298 I C 2.243 178.268 176.117 -0.152 0.000 1.163 298 I CA 0.979 62.158 61.300 -0.202 0.000 1.457 298 I CB -0.508 37.333 38.000 -0.265 0.000 1.092 298 I HN 0.050 nan 8.210 nan 0.000 0.434 299 A N 1.553 124.264 122.820 -0.183 0.000 1.948 299 A HA -0.119 4.198 4.320 -0.005 0.000 0.220 299 A C 2.370 179.846 177.584 -0.181 0.000 1.177 299 A CA 2.446 54.364 52.037 -0.197 0.000 0.636 299 A CB -0.960 17.855 19.000 -0.308 0.000 0.815 299 A HN 0.359 nan 8.150 nan 0.000 0.449 300 V N -1.029 118.775 119.914 -0.183 0.000 2.825 300 V HA 0.029 4.146 4.120 -0.005 0.000 0.246 300 V C 2.827 178.876 176.094 -0.075 0.000 1.068 300 V CA 0.999 63.222 62.300 -0.127 0.000 1.088 300 V CB -1.187 30.565 31.823 -0.119 0.000 0.733 300 V HN 0.583 nan 8.190 nan 0.000 0.468 301 A N 2.219 124.996 122.820 -0.072 0.000 1.859 301 A HA -0.245 4.072 4.320 -0.005 0.000 0.218 301 A C 2.081 179.649 177.584 -0.027 0.000 1.209 301 A CA 2.673 54.688 52.037 -0.037 0.000 0.639 301 A CB -0.812 18.163 19.000 -0.042 0.000 0.835 301 A HN 0.571 nan 8.150 nan 0.000 0.450 302 L N -1.115 120.086 121.223 -0.036 0.000 2.201 302 L HA 0.177 4.514 4.340 -0.005 0.000 0.212 302 L C 2.568 179.415 176.870 -0.037 0.000 1.105 302 L CA 1.560 56.385 54.840 -0.025 0.000 0.775 302 L CB -1.637 40.409 42.059 -0.022 0.000 0.913 302 L HN 0.305 nan 8.230 nan 0.000 0.440 303 A N 0.900 123.686 122.820 -0.056 0.000 1.849 303 A HA -0.183 4.134 4.320 -0.005 0.000 0.217 303 A C 2.340 179.897 177.584 -0.045 0.000 1.202 303 A CA 2.744 54.745 52.037 -0.061 0.000 0.629 303 A CB -1.295 17.658 19.000 -0.079 0.000 0.834 303 A HN 0.257 nan 8.150 nan 0.000 0.447 304 V N -0.388 119.507 119.914 -0.031 0.000 2.759 304 V HA -0.125 3.992 4.120 -0.005 0.000 0.256 304 V C 2.649 178.738 176.094 -0.010 0.000 1.080 304 V CA 1.596 63.887 62.300 -0.015 0.000 1.101 304 V CB -1.111 30.713 31.823 0.002 0.000 0.698 304 V HN 0.629 nan 8.190 nan 0.000 0.477 305 A N -0.790 122.024 122.820 -0.010 0.000 2.238 305 A HA 0.471 4.788 4.320 -0.005 0.000 0.208 305 A C 2.049 179.622 177.584 -0.017 0.000 1.177 305 A CA 1.134 53.169 52.037 -0.004 0.000 0.804 305 A CB -0.209 18.794 19.000 0.005 0.000 0.823 305 A HN 0.508 nan 8.150 nan 0.000 0.482 306 A N -0.178 122.624 122.820 -0.030 0.000 1.970 306 A HA 0.365 4.682 4.320 -0.005 0.000 0.204 306 A C 0.688 178.237 177.584 -0.058 0.000 1.325 306 A CA 0.098 52.107 52.037 -0.046 0.000 0.767 306 A CB 0.018 18.983 19.000 -0.058 0.000 0.949 306 A HN 0.316 nan 8.150 nan 0.000 0.481 307 I N 1.867 122.404 120.570 -0.055 0.000 2.471 307 I HA 0.185 4.352 4.170 -0.005 0.000 0.294 307 I C -2.571 173.527 176.117 -0.031 0.000 1.123 307 I CA -2.670 58.596 61.300 -0.056 0.000 1.336 307 I CB -0.676 37.297 38.000 -0.045 0.000 1.430 307 I HN 0.026 nan 8.210 nan 0.000 0.533 308 P HA -0.014 nan 4.420 nan 0.000 0.245 308 P C 1.030 178.332 177.300 0.004 0.000 1.670 308 P CA 0.049 63.150 63.100 0.002 0.000 1.146 308 P CB -0.324 31.400 31.700 0.040 0.000 1.954 309 E N 1.027 121.221 120.200 -0.010 0.000 2.516 309 E HA -0.139 4.208 4.350 -0.005 0.000 0.206 309 E C 1.308 177.891 176.600 -0.029 0.000 1.107 309 E CA 1.078 57.468 56.400 -0.016 0.000 0.903 309 E CB -0.930 28.759 29.700 -0.018 0.000 0.838 309 E HN 0.373 nan 8.360 nan 0.000 0.574 310 G N 1.002 109.783 108.800 -0.031 0.000 2.459 310 G HA2 -0.094 3.863 3.960 -0.005 0.000 0.213 310 G HA3 -0.094 3.863 3.960 -0.005 0.000 0.213 310 G C 1.414 176.266 174.900 -0.079 0.000 1.155 310 G CA 0.283 45.347 45.100 -0.061 0.000 0.811 310 G HN 0.257 nan 8.290 nan 0.000 0.534 311 L N 1.660 122.860 121.223 -0.039 0.000 2.012 311 L HA 0.047 4.384 4.340 -0.005 0.000 0.210 311 L C -0.101 176.733 176.870 -0.062 0.000 1.073 311 L CA 1.883 56.703 54.840 -0.034 0.000 0.748 311 L CB -0.858 41.254 42.059 0.088 0.000 0.891 311 L HN 0.080 nan 8.230 nan 0.000 0.431 312 P HA -0.154 nan 4.420 nan 0.000 0.219 312 P C 1.270 178.530 177.300 -0.068 0.000 1.146 312 P CA 1.826 64.912 63.100 -0.024 0.000 0.808 312 P CB -0.114 31.584 31.700 -0.004 0.000 0.779 313 A N -0.928 121.832 122.820 -0.100 0.000 1.878 313 A HA -0.065 4.252 4.320 -0.005 0.000 0.213 313 A C 2.257 179.726 177.584 -0.192 0.000 1.192 313 A CA 1.134 53.099 52.037 -0.120 0.000 0.619 313 A CB -1.447 17.486 19.000 -0.113 0.000 0.837 313 A HN -0.028 nan 8.150 nan 0.000 0.446 314 V N 0.234 119.973 119.914 -0.291 0.000 2.324 314 V HA -0.302 3.815 4.120 -0.005 0.000 0.250 314 V C 2.402 178.132 176.094 -0.607 0.000 1.060 314 V CA 2.235 64.207 62.300 -0.545 0.000 1.042 314 V CB -0.784 30.545 31.823 -0.823 0.000 0.650 314 V HN 0.510 nan 8.190 nan 0.000 0.450 315 I N 0.156 120.497 120.570 -0.382 0.000 2.179 315 I HA -0.205 3.962 4.170 -0.005 0.000 0.242 315 I C 2.571 178.646 176.117 -0.070 0.000 1.088 315 I CA 2.050 63.291 61.300 -0.099 0.000 1.357 315 I CB -0.893 37.134 38.000 0.045 0.000 1.051 315 I HN 0.284 nan 8.210 nan 0.000 0.409 316 T N -0.214 114.289 114.554 -0.085 0.000 2.684 316 T HA -0.196 4.151 4.350 -0.005 0.000 0.267 316 T C 1.875 176.533 174.700 -0.069 0.000 1.036 316 T CA 2.148 64.214 62.100 -0.057 0.000 1.148 316 T CB -0.658 68.179 68.868 -0.052 0.000 0.863 316 T HN 0.387 nan 8.240 nan 0.000 0.436 317 T N 1.206 115.687 114.554 -0.121 0.000 2.643 317 T HA -0.165 4.182 4.350 -0.005 0.000 0.264 317 T C 2.286 176.903 174.700 -0.138 0.000 1.045 317 T CA 1.359 63.382 62.100 -0.128 0.000 1.155 317 T CB -1.017 67.745 68.868 -0.176 0.000 0.863 317 T HN 0.537 nan 8.240 nan 0.000 0.420 318 C N 1.010 120.206 119.300 -0.174 0.000 2.429 318 C HA 0.003 4.460 4.460 -0.005 0.000 0.277 318 C C 2.579 177.532 174.990 -0.063 0.000 1.262 318 C CA 0.388 59.326 59.018 -0.133 0.000 1.733 318 C CB -1.538 26.212 27.740 0.018 0.000 2.010 318 C HN 0.422 nan 8.230 nan 0.000 0.483 319 L N 1.846 123.059 121.223 -0.017 0.000 1.970 319 L HA -0.040 4.297 4.340 -0.005 0.000 0.212 319 L C 2.881 179.741 176.870 -0.018 0.000 1.071 319 L CA 2.580 57.419 54.840 -0.001 0.000 0.751 319 L CB -1.156 40.910 42.059 0.011 0.000 0.889 319 L HN 0.412 nan 8.230 nan 0.000 0.432 320 A N -1.077 121.732 122.820 -0.017 0.000 1.948 320 A HA -0.219 4.098 4.320 -0.005 0.000 0.220 320 A C 2.316 179.897 177.584 -0.006 0.000 1.177 320 A CA 1.916 53.954 52.037 0.001 0.000 0.636 320 A CB -0.862 18.155 19.000 0.027 0.000 0.815 320 A HN 0.459 nan 8.150 nan 0.000 0.449 321 L N -0.865 120.336 121.223 -0.037 0.000 2.012 321 L HA -0.182 4.155 4.340 -0.005 0.000 0.210 321 L C 2.876 179.727 176.870 -0.033 0.000 1.073 321 L CA 1.293 56.106 54.840 -0.046 0.000 0.748 321 L CB -0.884 41.098 42.059 -0.129 0.000 0.891 321 L HN 0.504 nan 8.230 nan 0.000 0.431 322 G N -1.025 107.751 108.800 -0.040 0.000 2.442 322 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.219 322 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.219 322 G C 1.515 176.403 174.900 -0.021 0.000 1.141 322 G CA 1.349 46.431 45.100 -0.029 0.000 0.763 322 G HN 0.324 nan 8.290 nan 0.000 0.554 323 T N 1.324 115.867 114.554 -0.018 0.000 2.635 323 T HA -0.147 4.200 4.350 -0.005 0.000 0.267 323 T C 2.547 177.240 174.700 -0.012 0.000 1.040 323 T CA 1.399 63.487 62.100 -0.020 0.000 1.156 323 T CB -0.159 68.698 68.868 -0.017 0.000 0.863 323 T HN 0.229 nan 8.240 nan 0.000 0.430 324 R N 1.265 121.767 120.500 0.003 0.000 2.083 324 R HA 0.008 4.345 4.340 -0.005 0.000 0.237 324 R C 2.520 178.825 176.300 0.009 0.000 1.137 324 R CA 1.282 57.390 56.100 0.014 0.000 0.951 324 R CB -0.706 29.614 30.300 0.034 0.000 0.851 324 R HN 0.407 nan 8.270 nan 0.000 0.434 325 R N -0.063 120.440 120.500 0.005 0.000 2.091 325 R HA -0.043 4.294 4.340 -0.005 0.000 0.238 325 R C 2.361 178.659 176.300 -0.003 0.000 1.136 325 R CA 1.412 57.515 56.100 0.005 0.000 0.959 325 R CB -0.191 30.109 30.300 0.001 0.000 0.856 325 R HN 0.062 nan 8.270 nan 0.000 0.437 326 M N -0.160 119.433 119.600 -0.013 0.000 2.117 326 M HA -0.087 4.390 4.480 -0.005 0.000 0.262 326 M C 2.285 178.573 176.300 -0.020 0.000 1.065 326 M CA 1.631 56.918 55.300 -0.021 0.000 1.114 326 M CB -1.025 31.557 32.600 -0.031 0.000 1.361 326 M HN 0.194 nan 8.290 nan 0.000 0.408 327 A N -0.641 122.169 122.820 -0.016 0.000 1.972 327 A HA -0.176 4.141 4.320 -0.005 0.000 0.219 327 A C 2.202 179.782 177.584 -0.006 0.000 1.169 327 A CA 1.440 53.468 52.037 -0.015 0.000 0.635 327 A CB -0.625 18.368 19.000 -0.012 0.000 0.810 327 A HN 0.475 nan 8.150 nan 0.000 0.446 328 K N -0.405 119.995 120.400 0.001 0.000 2.442 328 K HA -0.063 4.254 4.320 -0.005 0.000 0.198 328 K C 0.676 177.278 176.600 0.003 0.000 1.042 328 K CA 0.891 57.182 56.287 0.007 0.000 0.958 328 K CB 0.027 32.535 32.500 0.013 0.000 0.766 328 K HN 0.412 nan 8.250 nan 0.000 0.474 329 K N 0.018 120.416 120.400 -0.004 0.000 2.387 329 K HA 0.111 4.428 4.320 -0.005 0.000 0.203 329 K C -0.172 176.421 176.600 -0.011 0.000 1.030 329 K CA -0.083 56.200 56.287 -0.007 0.000 1.099 329 K CB 0.685 33.178 32.500 -0.011 0.000 0.863 329 K HN 0.039 nan 8.250 nan 0.000 0.529 330 N N 0.535 119.228 118.700 -0.013 0.000 2.862 330 N HA -0.129 4.608 4.740 -0.005 0.000 0.248 330 N C -0.674 174.820 175.510 -0.027 0.000 1.116 330 N CA 0.834 53.874 53.050 -0.017 0.000 0.727 330 N CB -1.373 37.106 38.487 -0.012 0.000 1.083 330 N HN 0.327 nan 8.380 nan 0.000 0.555 331 A N 0.825 123.627 122.820 -0.031 0.000 2.621 331 A HA 0.457 4.774 4.320 -0.005 0.000 0.329 331 A C 0.588 178.145 177.584 -0.045 0.000 1.458 331 A CA -0.330 51.683 52.037 -0.041 0.000 1.052 331 A CB 0.060 19.035 19.000 -0.043 0.000 1.142 331 A HN 0.198 nan 8.150 nan 0.000 0.523 332 I N 3.615 124.156 120.570 -0.049 0.000 2.406 332 I HA 0.063 4.231 4.170 -0.005 0.000 0.293 332 I C 0.052 176.131 176.117 -0.063 0.000 1.101 332 I CA -0.003 61.263 61.300 -0.057 0.000 1.334 332 I CB 0.588 38.553 38.000 -0.057 0.000 1.421 332 I HN 0.291 nan 8.210 nan 0.000 0.513 333 V N 8.222 128.096 119.914 -0.066 0.000 2.288 333 V HA 0.291 4.409 4.120 -0.005 0.000 0.266 333 V C 1.582 177.630 176.094 -0.078 0.000 1.048 333 V CA -0.637 61.623 62.300 -0.067 0.000 0.842 333 V CB 0.349 32.137 31.823 -0.059 0.000 1.064 333 V HN 0.630 nan 8.190 nan 0.000 0.472 334 R N 1.546 122.000 120.500 -0.077 0.000 2.293 334 R HA -0.008 4.329 4.340 -0.005 0.000 0.219 334 R C 0.809 177.060 176.300 -0.081 0.000 1.091 334 R CA 0.700 56.750 56.100 -0.085 0.000 1.004 334 R CB 0.177 30.433 30.300 -0.073 0.000 0.865 334 R HN 0.602 nan 8.270 nan 0.000 0.469 335 S N -1.159 114.499 115.700 -0.070 0.000 2.548 335 S HA 0.284 4.751 4.470 -0.005 0.000 0.276 335 S C 0.631 175.199 174.600 -0.053 0.000 1.129 335 S CA -0.808 57.354 58.200 -0.062 0.000 0.931 335 S CB 1.334 64.501 63.200 -0.055 0.000 1.068 335 S HN 0.061 nan 8.310 nan 0.000 0.480 336 L N 3.885 125.080 121.223 -0.046 0.000 2.056 336 L HA 0.031 4.368 4.340 -0.005 0.000 0.207 336 L C -0.950 175.905 176.870 -0.025 0.000 1.078 336 L CA 1.257 56.078 54.840 -0.032 0.000 0.749 336 L CB -1.156 40.889 42.059 -0.023 0.000 0.901 336 L HN 0.521 nan 8.230 nan 0.000 0.433 337 P HA -0.123 nan 4.420 nan 0.000 0.216 337 P C 1.691 178.973 177.300 -0.029 0.000 1.153 337 P CA 1.567 64.655 63.100 -0.019 0.000 0.848 337 P CB -0.052 31.635 31.700 -0.021 0.000 0.787 338 S N -0.947 114.729 115.700 -0.040 0.000 2.442 338 S HA -0.111 4.356 4.470 -0.005 0.000 0.236 338 S C 1.958 176.528 174.600 -0.051 0.000 1.007 338 S CA 0.859 59.029 58.200 -0.050 0.000 0.965 338 S CB -1.816 61.353 63.200 -0.053 0.000 0.773 338 S HN -0.078 nan 8.310 nan 0.000 0.504 339 V N 2.779 122.668 119.914 -0.041 0.000 2.222 339 V HA -0.288 3.829 4.120 -0.005 0.000 0.252 339 V C 3.017 179.087 176.094 -0.039 0.000 1.060 339 V CA 2.495 64.773 62.300 -0.037 0.000 1.027 339 V CB -0.706 31.102 31.823 -0.025 0.000 0.644 339 V HN 0.601 nan 8.190 nan 0.000 0.448 340 E N -0.160 120.023 120.200 -0.028 0.000 2.107 340 E HA -0.184 4.163 4.350 -0.005 0.000 0.191 340 E C 2.178 178.721 176.600 -0.095 0.000 0.982 340 E CA 1.840 58.221 56.400 -0.033 0.000 0.809 340 E CB -0.338 29.376 29.700 0.023 0.000 0.756 340 E HN 0.680 nan 8.360 nan 0.000 0.459 341 T N 2.282 116.781 114.554 -0.092 0.000 2.699 341 T HA -0.169 4.178 4.350 -0.005 0.000 0.268 341 T C 1.944 176.577 174.700 -0.111 0.000 1.036 341 T CA 1.226 63.258 62.100 -0.114 0.000 1.147 341 T CB -0.373 68.446 68.868 -0.082 0.000 0.862 341 T HN 0.187 nan 8.240 nan 0.000 0.446 342 L N 0.632 121.801 121.223 -0.090 0.000 2.349 342 L HA -0.072 4.265 4.340 -0.005 0.000 0.220 342 L C 2.511 179.326 176.870 -0.091 0.000 1.130 342 L CA 0.906 55.694 54.840 -0.087 0.000 0.791 342 L CB -0.583 41.426 42.059 -0.082 0.000 0.918 342 L HN 0.392 nan 8.230 nan 0.000 0.444 343 G N -1.345 107.392 108.800 -0.105 0.000 2.394 343 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.214 343 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.214 343 G C 1.476 176.298 174.900 -0.130 0.000 1.176 343 G CA 0.712 45.748 45.100 -0.107 0.000 0.786 343 G HN 0.470 nan 8.290 nan 0.000 0.533 344 C N 1.458 120.648 119.300 -0.184 0.000 2.419 344 C HA 0.087 4.544 4.460 -0.005 0.000 0.283 344 C C 1.526 176.450 174.990 -0.109 0.000 1.373 344 C CA -0.013 58.895 59.018 -0.184 0.000 1.781 344 C CB -1.354 26.245 27.740 -0.236 0.000 1.886 344 C HN 0.324 nan 8.230 nan 0.000 0.520 345 T N 1.699 116.199 114.554 -0.091 0.000 2.891 345 T HA 0.087 4.434 4.350 -0.005 0.000 0.296 345 T C 1.161 175.832 174.700 -0.047 0.000 1.025 345 T CA 0.875 62.937 62.100 -0.062 0.000 1.149 345 T CB 0.624 69.456 68.868 -0.060 0.000 1.007 345 T HN 0.703 nan 8.240 nan 0.000 0.528 346 S N 1.491 117.172 115.700 -0.032 0.000 2.497 346 S HA 0.266 4.733 4.470 -0.005 0.000 0.221 346 S C 0.411 175.004 174.600 -0.011 0.000 1.037 346 S CA -0.342 57.846 58.200 -0.020 0.000 0.920 346 S CB 0.349 63.541 63.200 -0.013 0.000 0.800 346 S HN 0.457 nan 8.310 nan 0.000 0.505 347 V N 1.475 121.385 119.914 -0.008 0.000 2.789 347 V HA 0.578 4.696 4.120 -0.005 0.000 0.311 347 V C -1.035 175.059 176.094 -0.000 0.000 1.073 347 V CA -0.810 61.492 62.300 0.003 0.000 0.921 347 V CB 1.843 33.676 31.823 0.017 0.000 1.009 347 V HN 0.376 nan 8.190 nan 0.000 0.426 348 I N 2.876 123.453 120.570 0.012 0.000 2.410 348 I HA 0.422 4.589 4.170 -0.005 0.000 0.286 348 I C -0.662 175.481 176.117 0.043 0.000 1.009 348 I CA -0.072 61.237 61.300 0.014 0.000 1.111 348 I CB 1.369 39.377 38.000 0.014 0.000 1.262 348 I HN 0.602 nan 8.210 nan 0.000 0.443 349 C N 4.336 123.656 119.300 0.034 0.000 2.330 349 C HA 0.639 5.096 4.460 -0.005 0.000 0.344 349 C C 0.507 175.535 174.990 0.063 0.000 1.273 349 C CA -0.394 58.650 59.018 0.044 0.000 1.879 349 C CB 0.673 28.424 27.740 0.018 0.000 2.376 349 C HN 0.738 nan 8.230 nan 0.000 0.534 350 S N 1.229 116.982 115.700 0.089 0.000 2.536 350 S HA 0.453 4.920 4.470 -0.005 0.000 0.287 350 S C -0.922 173.719 174.600 0.069 0.000 1.101 350 S CA -0.413 57.864 58.200 0.129 0.000 0.950 350 S CB 1.209 64.566 63.200 0.262 0.000 1.056 350 S HN 0.851 nan 8.310 nan 0.000 0.481 351 D N 2.113 122.551 120.400 0.063 0.000 2.383 351 D HA 0.353 4.990 4.640 -0.005 0.000 0.248 351 D C 0.818 177.123 176.300 0.009 0.000 1.170 351 D CA -0.118 53.900 54.000 0.029 0.000 0.977 351 D CB 0.956 41.771 40.800 0.024 0.000 1.120 351 D HN 0.515 nan 8.370 nan 0.000 0.481 352 K N -0.677 119.719 120.400 -0.007 0.000 2.312 352 K HA 0.136 4.453 4.320 -0.005 0.000 0.223 352 K C -0.022 176.561 176.600 -0.028 0.000 1.043 352 K CA 0.047 56.316 56.287 -0.030 0.000 0.981 352 K CB -0.298 32.186 32.500 -0.027 0.000 1.142 352 K HN 0.458 nan 8.250 nan 0.000 0.463 353 T N 0.959 115.502 114.554 -0.019 0.000 2.800 353 T HA 0.246 4.593 4.350 -0.005 0.000 0.266 353 T C 0.617 175.312 174.700 -0.008 0.000 0.939 353 T CA 0.569 62.660 62.100 -0.016 0.000 1.199 353 T CB 0.014 68.877 68.868 -0.008 0.000 0.899 353 T HN 0.736 nan 8.240 nan 0.000 0.555 354 G N 2.756 111.549 108.800 -0.012 0.000 2.255 354 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.196 354 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.196 354 G C 0.725 175.632 174.900 0.011 0.000 0.998 354 G CA 0.177 45.276 45.100 -0.001 0.000 0.656 354 G HN 0.666 nan 8.290 nan 0.000 0.490 355 T N -0.040 114.523 114.554 0.014 0.000 3.221 355 T HA 0.300 4.647 4.350 -0.005 0.000 0.250 355 T C 1.869 176.591 174.700 0.037 0.000 0.988 355 T CA 0.921 63.057 62.100 0.060 0.000 1.163 355 T CB -0.124 68.799 68.868 0.091 0.000 1.098 355 T HN 0.069 nan 8.240 nan 0.000 0.422 356 L N 2.237 123.424 121.223 -0.060 0.000 2.240 356 L HA 0.239 4.576 4.340 -0.005 0.000 0.211 356 L C 1.376 178.135 176.870 -0.185 0.000 1.106 356 L CA 1.185 55.876 54.840 -0.248 0.000 0.793 356 L CB -0.660 41.244 42.059 -0.259 0.000 0.927 356 L HN 0.500 nan 8.230 nan 0.000 0.446 357 T N -5.496 108.994 114.554 -0.106 0.000 2.940 357 T HA 0.300 4.647 4.350 -0.005 0.000 0.288 357 T C 1.247 175.909 174.700 -0.064 0.000 1.033 357 T CA 0.064 62.111 62.100 -0.090 0.000 1.033 357 T CB 1.476 70.297 68.868 -0.077 0.000 1.079 357 T HN 0.205 nan 8.240 nan 0.000 0.496 358 T N -0.730 113.779 114.554 -0.075 0.000 3.023 358 T HA 0.046 4.393 4.350 -0.005 0.000 0.266 358 T C 1.185 175.842 174.700 -0.073 0.000 1.093 358 T CA 1.195 63.252 62.100 -0.072 0.000 1.129 358 T CB -0.929 67.878 68.868 -0.101 0.000 0.899 358 T HN 1.003 nan 8.240 nan 0.000 0.491 359 N N 0.198 118.852 118.700 -0.076 0.000 2.925 359 N HA -0.163 4.574 4.740 -0.005 0.000 0.244 359 N C -0.994 174.464 175.510 -0.088 0.000 1.000 359 N CA 0.446 53.463 53.050 -0.054 0.000 0.895 359 N CB -0.809 37.669 38.487 -0.016 0.000 1.119 359 N HN 0.679 nan 8.380 nan 0.000 0.569 360 Q N 0.766 120.436 119.800 -0.216 0.000 2.333 360 Q HA 0.347 4.684 4.340 -0.005 0.000 0.268 360 Q C -0.299 175.459 176.000 -0.404 0.000 1.007 360 Q CA -0.814 54.699 55.803 -0.485 0.000 0.810 360 Q CB 1.648 29.735 28.738 -1.085 0.000 1.264 360 Q HN 0.132 nan 8.270 nan 0.000 0.452 361 M N 2.049 121.554 119.600 -0.158 0.000 2.260 361 M HA 0.089 4.566 4.480 -0.005 0.000 0.348 361 M C -0.509 175.764 176.300 -0.045 0.000 1.342 361 M CA 0.914 56.203 55.300 -0.019 0.000 1.040 361 M CB 0.014 32.688 32.600 0.123 0.000 1.810 361 M HN 0.587 nan 8.290 nan 0.000 0.453 362 S N 2.618 118.283 115.700 -0.058 0.000 2.548 362 S HA 0.599 5.067 4.470 -0.005 0.000 0.276 362 S C -0.784 173.795 174.600 -0.036 0.000 1.129 362 S CA -0.899 57.271 58.200 -0.050 0.000 0.931 362 S CB 2.041 65.177 63.200 -0.107 0.000 1.068 362 S HN 0.447 nan 8.310 nan 0.000 0.480 363 V N 2.344 122.244 119.914 -0.023 0.000 2.498 363 V HA 0.235 4.352 4.120 -0.005 0.000 0.279 363 V C 1.048 177.108 176.094 -0.056 0.000 1.048 363 V CA -0.400 61.880 62.300 -0.034 0.000 0.967 363 V CB 0.423 32.230 31.823 -0.025 0.000 0.988 363 V HN 1.229 nan 8.190 nan 0.000 0.473 364 C N 2.013 121.266 119.300 -0.078 0.000 3.836 364 C HA 0.496 4.953 4.460 -0.005 0.000 0.470 364 C C 0.465 175.381 174.990 -0.124 0.000 1.496 364 C CA -0.472 58.487 59.018 -0.097 0.000 2.135 364 C CB -0.539 27.133 27.740 -0.113 0.000 3.162 364 C HN 0.737 nan 8.230 nan 0.000 0.666 365 K N 1.624 121.924 120.400 -0.168 0.000 2.426 365 K HA 0.793 5.110 4.320 -0.005 0.000 0.251 365 K C -0.946 175.642 176.600 -0.020 0.000 0.941 365 K CA -0.217 55.915 56.287 -0.257 0.000 0.808 365 K CB 2.145 34.171 32.500 -0.790 0.000 1.265 365 K HN 0.649 nan 8.250 nan 0.000 0.432 366 M N 0.936 120.691 119.600 0.257 0.000 2.790 366 M HA 0.587 5.064 4.480 -0.005 0.000 0.272 366 M C -1.871 174.815 176.300 0.643 0.000 1.168 366 M CA -0.992 54.562 55.300 0.423 0.000 0.829 366 M CB 1.964 34.651 32.600 0.145 0.000 1.675 366 M HN 0.581 nan 8.290 nan 0.000 0.505 367 F N 1.053 121.208 119.950 0.341 0.000 2.665 367 F HA 0.855 5.379 4.527 -0.005 0.000 0.308 367 F C -1.862 174.028 175.800 0.151 0.000 1.112 367 F CA -1.035 57.111 58.000 0.242 0.000 0.972 367 F CB 1.175 40.233 39.000 0.097 0.000 1.295 367 F HN 0.850 nan 8.300 nan 0.000 0.440 368 I N 0.349 121.226 120.570 0.511 0.000 3.206 368 I HA 0.726 4.893 4.170 -0.005 0.000 0.313 368 I C -1.050 175.310 176.117 0.405 0.000 1.103 368 I CA -1.562 59.956 61.300 0.362 0.000 0.985 368 I CB 1.924 40.050 38.000 0.209 0.000 1.240 368 I HN 0.558 nan 8.210 nan 0.000 0.464 369 I N 2.350 123.121 120.570 0.335 0.000 2.575 369 I HA 0.142 4.310 4.170 -0.005 0.000 0.285 369 I C 0.729 176.954 176.117 0.180 0.000 1.085 369 I CA 0.537 61.977 61.300 0.234 0.000 1.403 369 I CB 0.360 38.493 38.000 0.221 0.000 1.409 369 I HN 0.687 nan 8.210 nan 0.000 0.557 370 D N 3.950 124.422 120.400 0.120 0.000 2.584 370 D HA 0.096 4.733 4.640 -0.005 0.000 0.254 370 D C 0.106 176.485 176.300 0.132 0.000 1.085 370 D CA 0.873 54.956 54.000 0.138 0.000 0.971 370 D CB 0.487 41.351 40.800 0.105 0.000 1.103 370 D HN 0.595 nan 8.370 nan 0.000 0.453 371 K N -0.597 119.872 120.400 0.114 0.000 2.508 371 K HA 0.622 4.939 4.320 -0.005 0.000 0.260 371 K C -1.633 175.040 176.600 0.122 0.000 0.949 371 K CA -0.954 55.420 56.287 0.145 0.000 0.834 371 K CB 2.638 35.260 32.500 0.203 0.000 1.365 371 K HN -0.130 nan 8.250 nan 0.000 0.437 372 V N 1.391 121.384 119.914 0.131 0.000 2.531 372 V HA 0.392 4.509 4.120 -0.005 0.000 0.301 372 V C -1.507 174.681 176.094 0.156 0.000 1.034 372 V CA -0.417 61.949 62.300 0.110 0.000 0.865 372 V CB 1.592 33.455 31.823 0.067 0.000 0.995 372 V HN 1.008 nan 8.190 nan 0.000 0.424 373 D N 3.289 123.813 120.400 0.207 0.000 2.527 373 D HA 0.530 5.167 4.640 -0.005 0.000 0.242 373 D C 0.443 176.833 176.300 0.149 0.000 1.285 373 D CA 1.012 55.112 54.000 0.167 0.000 0.886 373 D CB 0.715 41.613 40.800 0.164 0.000 1.402 373 D HN 0.936 nan 8.370 nan 0.000 0.528 374 G N 3.135 111.992 108.800 0.095 0.000 2.588 374 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.273 374 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.273 374 G C 0.547 175.488 174.900 0.069 0.000 1.211 374 G CA 0.275 45.418 45.100 0.072 0.000 0.958 374 G HN 0.444 nan 8.290 nan 0.000 0.543 375 D N 0.615 121.063 120.400 0.080 0.000 2.339 375 D HA 0.305 4.942 4.640 -0.005 0.000 0.217 375 D C 0.472 176.822 176.300 0.083 0.000 1.050 375 D CA 0.198 54.232 54.000 0.056 0.000 0.856 375 D CB 0.123 40.950 40.800 0.045 0.000 0.922 375 D HN 0.207 nan 8.370 nan 0.000 0.518 376 F N 1.419 121.357 119.950 -0.020 0.000 2.410 376 F HA 0.368 4.892 4.527 -0.005 0.000 0.349 376 F C -0.660 175.126 175.800 -0.023 0.000 1.117 376 F CA -1.127 56.860 58.000 -0.023 0.000 1.104 376 F CB 0.962 39.952 39.000 -0.016 0.000 1.122 376 F HN -0.166 nan 8.300 nan 0.000 0.483 377 C N 6.635 125.434 119.300 -0.834 0.000 2.505 377 C HA 0.735 5.192 4.460 -0.005 0.000 0.342 377 C C -0.925 173.586 174.990 -0.797 0.000 1.121 377 C CA -0.220 58.433 59.018 -0.608 0.000 1.306 377 C CB -0.111 27.444 27.740 -0.309 0.000 1.897 377 C HN 0.987 nan 8.230 nan 0.000 0.446 378 S N 6.437 121.758 115.700 -0.631 0.000 2.532 378 S HA 0.869 5.337 4.470 -0.005 0.000 0.301 378 S C -0.954 173.526 174.600 -0.200 0.000 1.083 378 S CA -0.673 57.287 58.200 -0.400 0.000 1.025 378 S CB 1.206 64.306 63.200 -0.167 0.000 1.056 378 S HN 0.806 nan 8.310 nan 0.000 0.494 379 L N 2.029 123.128 121.223 -0.207 0.000 2.330 379 L HA 0.557 4.894 4.340 -0.005 0.000 0.271 379 L C -0.157 176.656 176.870 -0.095 0.000 1.013 379 L CA -1.059 53.685 54.840 -0.160 0.000 0.816 379 L CB 1.288 43.099 42.059 -0.413 0.000 1.287 379 L HN 0.630 nan 8.230 nan 0.000 0.435 380 N N 1.981 120.681 118.700 -0.001 0.000 2.527 380 N HA 0.222 4.959 4.740 -0.005 0.000 0.236 380 N C -0.938 174.469 175.510 -0.171 0.000 0.999 380 N CA -0.191 52.789 53.050 -0.117 0.000 0.935 380 N CB 1.050 39.558 38.487 0.036 0.000 1.132 380 N HN 0.576 nan 8.380 nan 0.000 0.511 381 E N 1.892 121.899 120.200 -0.322 0.000 2.216 381 E HA 0.414 4.761 4.350 -0.005 0.000 0.279 381 E C -0.682 175.647 176.600 -0.452 0.000 0.997 381 E CA -0.335 56.007 56.400 -0.097 0.000 0.817 381 E CB 1.265 31.006 29.700 0.068 0.000 1.096 381 E HN 0.309 nan 8.360 nan 0.000 0.393 382 F N 0.282 120.300 119.950 0.113 0.000 2.620 382 F HA 0.394 4.918 4.527 -0.005 0.000 0.320 382 F C 0.320 176.120 175.800 0.000 0.000 1.069 382 F CA -0.850 57.154 58.000 0.007 0.000 0.953 382 F CB 1.878 40.837 39.000 -0.068 0.000 1.322 382 F HN 0.347 nan 8.300 nan 0.000 0.479 383 S N 1.582 117.377 115.700 0.158 0.000 2.600 383 S HA 0.895 5.362 4.470 -0.005 0.000 0.300 383 S C -1.449 173.167 174.600 0.026 0.000 1.087 383 S CA -0.715 57.501 58.200 0.026 0.000 0.965 383 S CB 2.007 65.194 63.200 -0.021 0.000 1.089 383 S HN 0.403 nan 8.310 nan 0.000 0.496 384 I N 2.181 122.735 120.570 -0.027 0.000 2.499 384 I HA 0.392 4.559 4.170 -0.005 0.000 0.288 384 I C 0.428 176.517 176.117 -0.047 0.000 1.048 384 I CA -0.419 60.861 61.300 -0.034 0.000 1.062 384 I CB 1.272 39.244 38.000 -0.047 0.000 1.238 384 I HN 0.984 nan 8.210 nan 0.000 0.426 385 T N 1.136 115.666 114.554 -0.039 0.000 2.902 385 T HA 0.834 5.181 4.350 -0.005 0.000 0.280 385 T C 0.316 174.986 174.700 -0.049 0.000 0.992 385 T CA -0.238 61.836 62.100 -0.043 0.000 1.015 385 T CB 1.862 70.711 68.868 -0.032 0.000 1.044 385 T HN 1.458 nan 8.240 nan 0.000 0.520 386 G N 0.273 109.042 108.800 -0.051 0.000 2.885 386 G HA2 0.254 4.211 3.960 -0.005 0.000 0.685 386 G HA3 0.254 4.211 3.960 -0.005 0.000 0.685 386 G C -0.012 174.846 174.900 -0.070 0.000 1.216 386 G CA -0.202 44.864 45.100 -0.056 0.000 0.790 386 G HN 1.770 nan 8.290 nan 0.000 0.631 387 S N -1.030 114.624 115.700 -0.077 0.000 2.843 387 S HA 0.661 5.128 4.470 -0.005 0.000 0.249 387 S C 0.653 175.169 174.600 -0.140 0.000 1.047 387 S CA 0.937 59.077 58.200 -0.100 0.000 1.042 387 S CB 0.491 63.638 63.200 -0.088 0.000 0.936 387 S HN 2.259 nan 8.310 nan 0.000 0.531 388 T N -2.436 112.032 114.554 -0.144 0.000 2.696 388 T HA 0.560 4.907 4.350 -0.005 0.000 0.291 388 T C -0.206 174.392 174.700 -0.169 0.000 1.095 388 T CA -0.604 61.370 62.100 -0.210 0.000 1.026 388 T CB 0.232 69.043 68.868 -0.095 0.000 1.390 388 T HN -0.084 nan 8.240 nan 0.000 0.513 389 Y N 0.691 120.988 120.300 -0.005 0.000 2.583 389 Y HA 0.534 5.081 4.550 -0.005 0.000 0.293 389 Y C 1.832 177.647 175.900 -0.141 0.000 1.157 389 Y CA -0.307 57.775 58.100 -0.029 0.000 1.315 389 Y CB -0.966 37.518 38.460 0.040 0.000 1.021 389 Y HN 0.861 nan 8.280 nan 0.000 0.536 390 A N 1.589 124.378 122.820 -0.051 0.000 2.462 390 A HA 0.222 4.539 4.320 -0.005 0.000 0.243 390 A C -1.910 175.467 177.584 -0.345 0.000 1.076 390 A CA -1.107 50.692 52.037 -0.397 0.000 0.773 390 A CB -0.109 18.812 19.000 -0.132 0.000 1.010 390 A HN 0.059 nan 8.150 nan 0.000 0.493 391 P HA 0.180 nan 4.420 nan 0.000 0.237 391 P C -0.860 176.339 177.300 -0.168 0.000 1.723 391 P CA 0.500 63.443 63.100 -0.261 0.000 0.882 391 P CB -0.345 31.198 31.700 -0.262 0.000 1.810 392 E N 0.507 120.625 120.200 -0.136 0.000 2.216 392 E HA 0.671 5.018 4.350 -0.005 0.000 0.260 392 E C 0.270 176.833 176.600 -0.060 0.000 0.880 392 E CA -0.744 55.609 56.400 -0.080 0.000 0.765 392 E CB 1.861 31.527 29.700 -0.056 0.000 1.174 392 E HN 0.182 nan 8.360 nan 0.000 0.417 393 G N 2.357 111.127 108.800 -0.049 0.000 2.324 393 G HA2 0.187 4.144 3.960 -0.005 0.000 0.293 393 G HA3 0.187 4.144 3.960 -0.005 0.000 0.293 393 G C -1.506 173.372 174.900 -0.036 0.000 1.297 393 G CA -0.840 44.235 45.100 -0.041 0.000 0.853 393 G HN 0.379 nan 8.290 nan 0.000 0.535 394 E N -1.535 118.648 120.200 -0.029 0.000 2.392 394 E HA 0.628 4.975 4.350 -0.005 0.000 0.269 394 E C -1.144 175.445 176.600 -0.018 0.000 0.924 394 E CA -0.996 55.391 56.400 -0.021 0.000 0.784 394 E CB 3.062 32.759 29.700 -0.006 0.000 1.292 394 E HN 0.329 nan 8.360 nan 0.000 0.447 395 V N 2.394 122.301 119.914 -0.013 0.000 2.435 395 V HA 0.429 4.546 4.120 -0.005 0.000 0.290 395 V C -0.384 175.749 176.094 0.066 0.000 1.030 395 V CA -0.517 61.781 62.300 -0.003 0.000 0.881 395 V CB 0.763 32.537 31.823 -0.081 0.000 0.983 395 V HN 0.413 nan 8.190 nan 0.000 0.445 396 L N 4.105 125.397 121.223 0.116 0.000 2.354 396 L HA 0.712 5.049 4.340 -0.005 0.000 0.264 396 L C -0.491 176.491 176.870 0.185 0.000 1.008 396 L CA -0.811 54.106 54.840 0.128 0.000 0.819 396 L CB 2.238 44.333 42.059 0.061 0.000 1.339 396 L HN 0.513 nan 8.230 nan 0.000 0.420 397 K N 1.779 122.249 120.400 0.117 0.000 2.507 397 K HA 0.339 4.656 4.320 -0.005 0.000 0.252 397 K C -0.660 175.925 176.600 -0.025 0.000 0.943 397 K CA -0.500 55.763 56.287 -0.040 0.000 0.808 397 K CB 0.902 33.346 32.500 -0.093 0.000 1.142 397 K HN 0.670 nan 8.250 nan 0.000 0.426 398 N N 4.121 122.788 118.700 -0.054 0.000 2.740 398 N HA -0.193 4.544 4.740 -0.005 0.000 0.248 398 N C -1.041 174.468 175.510 -0.002 0.000 1.062 398 N CA 1.539 54.574 53.050 -0.025 0.000 0.704 398 N CB -0.892 37.585 38.487 -0.018 0.000 0.968 398 N HN 0.967 nan 8.380 nan 0.000 0.547 399 D N -2.192 118.210 120.400 0.002 0.000 3.077 399 D HA -0.189 4.448 4.640 -0.005 0.000 0.217 399 D C -0.107 176.206 176.300 0.021 0.000 1.162 399 D CA 1.343 55.348 54.000 0.009 0.000 0.943 399 D CB -0.726 40.075 40.800 0.002 0.000 1.122 399 D HN 0.610 nan 8.370 nan 0.000 0.413 400 K N 0.002 120.423 120.400 0.035 0.000 2.378 400 K HA 0.448 4.765 4.320 -0.005 0.000 0.252 400 K C -2.719 173.922 176.600 0.069 0.000 0.931 400 K CA -1.834 54.480 56.287 0.046 0.000 0.794 400 K CB 2.391 34.919 32.500 0.047 0.000 1.181 400 K HN -0.245 nan 8.250 nan 0.000 0.425 401 P HA -0.033 nan 4.420 nan 0.000 0.263 401 P C -0.602 176.755 177.300 0.095 0.000 1.195 401 P CA 0.049 63.188 63.100 0.065 0.000 0.762 401 P CB 0.285 32.010 31.700 0.041 0.000 0.799 402 I N 0.918 121.563 120.570 0.125 0.000 3.108 402 I HA 0.581 4.748 4.170 -0.005 0.000 0.312 402 I C -0.548 175.646 176.117 0.128 0.000 1.095 402 I CA -1.592 59.815 61.300 0.179 0.000 1.000 402 I CB 2.036 40.245 38.000 0.348 0.000 1.229 402 I HN 0.134 nan 8.210 nan 0.000 0.454 403 R N 2.320 122.906 120.500 0.143 0.000 2.233 403 R HA 0.370 4.707 4.340 -0.005 0.000 0.334 403 R C 0.603 176.969 176.300 0.109 0.000 1.037 403 R CA -0.541 55.604 56.100 0.075 0.000 0.920 403 R CB 0.907 31.232 30.300 0.043 0.000 1.137 403 R HN 0.732 nan 8.270 nan 0.000 0.492 404 S N 2.238 117.944 115.700 0.011 0.000 2.392 404 S HA -0.180 4.287 4.470 -0.005 0.000 0.232 404 S C 1.926 176.528 174.600 0.002 0.000 1.041 404 S CA 1.959 60.124 58.200 -0.057 0.000 1.026 404 S CB -0.117 62.959 63.200 -0.207 0.000 0.845 404 S HN 0.888 nan 8.310 nan 0.000 0.465 405 G N 0.576 109.339 108.800 -0.061 0.000 2.527 405 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.219 405 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.219 405 G C 1.090 175.958 174.900 -0.054 0.000 1.117 405 G CA 0.314 45.349 45.100 -0.109 0.000 0.759 405 G HN 0.545 nan 8.290 nan 0.000 0.556 406 Q N -0.928 118.863 119.800 -0.015 0.000 2.403 406 Q HA 0.209 4.546 4.340 -0.005 0.000 0.203 406 Q C -0.572 175.266 176.000 -0.270 0.000 0.932 406 Q CA -0.108 55.611 55.803 -0.139 0.000 0.945 406 Q CB 0.349 28.971 28.738 -0.193 0.000 1.045 406 Q HN 0.475 nan 8.270 nan 0.000 0.511 407 F N 0.502 120.428 119.950 -0.039 0.000 2.382 407 F HA 0.186 4.710 4.527 -0.005 0.000 0.361 407 F C 0.504 176.278 175.800 -0.043 0.000 1.109 407 F CA -0.912 57.085 58.000 -0.005 0.000 1.031 407 F CB 1.390 40.397 39.000 0.011 0.000 1.234 407 F HN -0.124 nan 8.300 nan 0.000 0.445 408 D N 2.240 122.703 120.400 0.104 0.000 2.182 408 D HA -0.148 4.490 4.640 -0.005 0.000 0.201 408 D C 2.313 178.645 176.300 0.054 0.000 0.986 408 D CA 1.393 55.424 54.000 0.052 0.000 0.847 408 D CB -0.156 40.672 40.800 0.046 0.000 0.942 408 D HN 0.753 nan 8.370 nan 0.000 0.467 409 G N 0.375 109.243 108.800 0.113 0.000 2.422 409 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.218 409 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.218 409 G C 1.656 176.553 174.900 -0.005 0.000 1.146 409 G CA 0.170 45.315 45.100 0.074 0.000 0.769 409 G HN 0.274 nan 8.290 nan 0.000 0.547 410 L N 0.304 121.516 121.223 -0.019 0.000 2.217 410 L HA -0.014 4.324 4.340 -0.005 0.000 0.211 410 L C 2.904 179.675 176.870 -0.166 0.000 1.107 410 L CA 0.162 54.917 54.840 -0.142 0.000 0.783 410 L CB -0.301 41.613 42.059 -0.242 0.000 0.919 410 L HN 0.079 nan 8.230 nan 0.000 0.442 411 V N 0.121 119.947 119.914 -0.146 0.000 2.343 411 V HA -0.293 3.824 4.120 -0.005 0.000 0.247 411 V C 2.429 178.422 176.094 -0.169 0.000 1.051 411 V CA 2.010 64.176 62.300 -0.224 0.000 1.036 411 V CB -0.379 31.321 31.823 -0.204 0.000 0.654 411 V HN 0.500 nan 8.190 nan 0.000 0.451 412 E N -0.163 119.971 120.200 -0.111 0.000 2.152 412 E HA -0.179 4.168 4.350 -0.005 0.000 0.192 412 E C 2.230 178.731 176.600 -0.165 0.000 0.983 412 E CA 0.850 57.182 56.400 -0.114 0.000 0.818 412 E CB -0.025 29.646 29.700 -0.048 0.000 0.758 412 E HN 0.588 nan 8.360 nan 0.000 0.467 413 L N 0.365 121.495 121.223 -0.154 0.000 2.017 413 L HA -0.139 4.198 4.340 -0.005 0.000 0.208 413 L C 2.429 179.190 176.870 -0.181 0.000 1.073 413 L CA 1.643 56.381 54.840 -0.170 0.000 0.745 413 L CB -0.328 41.632 42.059 -0.164 0.000 0.894 413 L HN 0.195 nan 8.230 nan 0.000 0.432 414 A N -1.017 121.691 122.820 -0.187 0.000 1.933 414 A HA -0.205 4.112 4.320 -0.005 0.000 0.218 414 A C 2.222 179.696 177.584 -0.183 0.000 1.175 414 A CA 2.265 54.195 52.037 -0.178 0.000 0.628 414 A CB -1.071 17.810 19.000 -0.199 0.000 0.814 414 A HN 0.520 nan 8.150 nan 0.000 0.444 415 T N 0.236 114.657 114.554 -0.221 0.000 2.746 415 T HA -0.080 4.267 4.350 -0.005 0.000 0.267 415 T C 1.773 176.202 174.700 -0.452 0.000 1.039 415 T CA 1.521 63.441 62.100 -0.299 0.000 1.142 415 T CB -0.374 68.290 68.868 -0.339 0.000 0.866 415 T HN 0.441 nan 8.240 nan 0.000 0.444 416 I N 0.609 120.919 120.570 -0.434 0.000 2.252 416 I HA -0.163 4.004 4.170 -0.005 0.000 0.245 416 I C 2.595 178.598 176.117 -0.189 0.000 1.102 416 I CA 0.770 61.853 61.300 -0.362 0.000 1.385 416 I CB -0.391 37.495 38.000 -0.189 0.000 1.064 416 I HN 0.309 nan 8.210 nan 0.000 0.414 417 C N 0.688 119.895 119.300 -0.155 0.000 2.425 417 C HA -0.128 4.329 4.460 -0.005 0.000 0.277 417 C C 3.097 178.035 174.990 -0.087 0.000 1.280 417 C CA 1.057 60.014 59.018 -0.100 0.000 1.744 417 C CB -1.223 26.460 27.740 -0.096 0.000 1.989 417 C HN 0.598 nan 8.230 nan 0.000 0.491 418 A N -0.297 122.456 122.820 -0.112 0.000 1.935 418 A HA 0.115 4.432 4.320 -0.005 0.000 0.214 418 A C 2.073 179.616 177.584 -0.070 0.000 1.178 418 A CA 1.006 52.995 52.037 -0.080 0.000 0.640 418 A CB -0.321 18.634 19.000 -0.075 0.000 0.825 418 A HN 0.572 nan 8.150 nan 0.000 0.447 419 L N -1.394 119.763 121.223 -0.110 0.000 2.145 419 L HA 0.008 4.346 4.340 -0.005 0.000 0.201 419 L C 1.492 178.368 176.870 0.010 0.000 1.075 419 L CA 0.313 55.121 54.840 -0.054 0.000 0.773 419 L CB -0.376 41.629 42.059 -0.090 0.000 0.936 419 L HN 0.402 nan 8.230 nan 0.000 0.451 420 C N 2.340 121.647 119.300 0.012 0.000 2.896 420 C HA 0.253 4.710 4.460 -0.005 0.000 0.499 420 C C 0.320 175.330 174.990 0.033 0.000 1.022 420 C CA -0.135 58.918 59.018 0.059 0.000 1.127 420 C CB -2.467 25.325 27.740 0.086 0.000 1.452 420 C HN 0.423 nan 8.230 nan 0.000 0.580 421 N N 1.514 120.230 118.700 0.027 0.000 2.554 421 N HA 0.205 4.942 4.740 -0.005 0.000 0.271 421 N C -0.635 174.887 175.510 0.020 0.000 1.081 421 N CA -0.342 52.718 53.050 0.015 0.000 0.994 421 N CB 1.030 39.513 38.487 -0.007 0.000 1.641 421 N HN 0.255 nan 8.380 nan 0.000 0.511 422 D N 0.854 121.268 120.400 0.023 0.000 2.369 422 D HA 0.227 4.864 4.640 -0.005 0.000 0.211 422 D C -0.367 175.938 176.300 0.009 0.000 1.077 422 D CA 0.585 54.600 54.000 0.025 0.000 0.842 422 D CB 0.626 41.450 40.800 0.041 0.000 0.947 422 D HN 0.325 nan 8.370 nan 0.000 0.509 423 S N -1.023 114.673 115.700 -0.007 0.000 2.759 423 S HA 0.797 5.264 4.470 -0.005 0.000 0.310 423 S C 0.059 174.640 174.600 -0.030 0.000 1.123 423 S CA -0.662 57.523 58.200 -0.025 0.000 0.959 423 S CB 2.101 65.274 63.200 -0.044 0.000 1.172 423 S HN 0.173 nan 8.310 nan 0.000 0.539 424 S N -0.445 115.228 115.700 -0.046 0.000 2.790 424 S HA 0.800 5.267 4.470 -0.005 0.000 0.292 424 S C -1.810 172.752 174.600 -0.064 0.000 1.197 424 S CA -0.733 57.443 58.200 -0.040 0.000 0.851 424 S CB 0.867 64.059 63.200 -0.013 0.000 1.217 424 S HN 0.622 nan 8.310 nan 0.000 0.526 425 L N 0.829 122.038 121.223 -0.023 0.000 2.370 425 L HA 0.848 5.185 4.340 -0.005 0.000 0.266 425 L C -1.562 175.359 176.870 0.085 0.000 1.002 425 L CA -0.043 54.796 54.840 -0.001 0.000 0.818 425 L CB 1.961 44.031 42.059 0.018 0.000 1.325 425 L HN 0.927 nan 8.230 nan 0.000 0.418 426 D N 1.742 122.223 120.400 0.134 0.000 2.570 426 D HA 0.323 4.960 4.640 -0.005 0.000 0.244 426 D C -1.928 174.499 176.300 0.212 0.000 1.178 426 D CA -0.232 53.863 54.000 0.159 0.000 0.881 426 D CB 2.442 43.281 40.800 0.065 0.000 1.453 426 D HN 0.383 nan 8.370 nan 0.000 0.447 427 F N 2.511 122.423 119.950 -0.064 0.000 2.375 427 F HA 0.307 4.831 4.527 -0.005 0.000 0.361 427 F C -0.010 175.690 175.800 -0.166 0.000 1.117 427 F CA -0.860 56.969 58.000 -0.285 0.000 1.037 427 F CB 0.692 39.408 39.000 -0.474 0.000 1.192 427 F HN 0.065 nan 8.300 nan 0.000 0.452 428 N N 5.544 123.836 118.700 -0.681 0.000 2.448 428 N HA 0.005 4.742 4.740 -0.005 0.000 0.250 428 N C 0.846 175.880 175.510 -0.794 0.000 1.136 428 N CA 0.362 53.102 53.050 -0.516 0.000 0.953 428 N CB 0.341 38.633 38.487 -0.324 0.000 1.251 428 N HN 0.799 nan 8.380 nan 0.000 0.502 429 E N 1.093 120.975 120.200 -0.530 0.000 2.273 429 E HA -0.165 4.182 4.350 -0.005 0.000 0.198 429 E C 0.840 177.292 176.600 -0.246 0.000 1.002 429 E CA 1.323 57.521 56.400 -0.336 0.000 0.828 429 E CB 0.298 29.980 29.700 -0.032 0.000 0.747 429 E HN 0.605 nan 8.360 nan 0.000 0.491 430 T N 0.935 115.358 114.554 -0.218 0.000 2.735 430 T HA -0.072 4.276 4.350 -0.005 0.000 0.256 430 T C 1.667 176.259 174.700 -0.181 0.000 1.042 430 T CA 0.850 62.857 62.100 -0.155 0.000 1.147 430 T CB -0.055 68.758 68.868 -0.093 0.000 0.865 430 T HN 0.070 nan 8.240 nan 0.000 0.421 431 K N 0.594 120.872 120.400 -0.203 0.000 2.365 431 K HA 0.144 4.461 4.320 -0.005 0.000 0.199 431 K C 1.423 177.907 176.600 -0.193 0.000 1.045 431 K CA 0.540 56.726 56.287 -0.168 0.000 0.962 431 K CB -0.086 32.334 32.500 -0.134 0.000 0.759 431 K HN 0.469 nan 8.250 nan 0.000 0.469 432 G N 1.516 110.114 108.800 -0.336 0.000 2.176 432 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.252 432 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.252 432 G C 0.003 174.773 174.900 -0.215 0.000 1.024 432 G CA 0.379 45.311 45.100 -0.281 0.000 0.755 432 G HN 0.293 nan 8.290 nan 0.000 0.507 433 V N -4.225 115.440 119.914 -0.415 0.000 3.159 433 V HA 0.854 4.971 4.120 -0.005 0.000 0.308 433 V C -0.085 175.929 176.094 -0.134 0.000 1.190 433 V CA -2.480 59.771 62.300 -0.082 0.000 1.037 433 V CB 1.418 33.258 31.823 0.029 0.000 1.060 433 V HN 0.329 nan 8.190 nan 0.000 0.437 434 Y N 0.812 121.247 120.300 0.226 0.000 2.309 434 Y HA 0.634 5.181 4.550 -0.005 0.000 0.327 434 Y C 0.764 176.759 175.900 0.160 0.000 1.172 434 Y CA 0.290 58.535 58.100 0.242 0.000 1.280 434 Y CB 1.019 39.641 38.460 0.271 0.000 1.234 434 Y HN 0.713 nan 8.280 nan 0.000 0.512 435 E N 1.947 122.285 120.200 0.230 0.000 2.367 435 E HA 0.289 4.636 4.350 -0.005 0.000 0.273 435 E C -1.220 175.342 176.600 -0.063 0.000 0.903 435 E CA -1.387 55.081 56.400 0.113 0.000 0.764 435 E CB 2.230 31.954 29.700 0.039 0.000 1.252 435 E HN 0.493 nan 8.360 nan 0.000 0.446 436 K N -0.242 120.001 120.400 -0.261 0.000 2.138 436 K HA 0.445 4.762 4.320 -0.005 0.000 0.251 436 K C -0.600 175.895 176.600 -0.174 0.000 1.015 436 K CA -0.540 55.493 56.287 -0.424 0.000 0.917 436 K CB 0.765 32.883 32.500 -0.637 0.000 1.021 436 K HN 0.153 nan 8.250 nan 0.000 0.485 437 V N 1.766 121.590 119.914 -0.150 0.000 2.398 437 V HA 0.490 4.607 4.120 -0.005 0.000 0.282 437 V C 0.434 176.487 176.094 -0.070 0.000 1.014 437 V CA 0.181 62.435 62.300 -0.076 0.000 0.838 437 V CB -0.032 31.764 31.823 -0.045 0.000 1.018 437 V HN 1.217 nan 8.190 nan 0.000 0.432 438 G N 4.115 112.882 108.800 -0.055 0.000 2.516 438 G HA2 -0.124 3.833 3.960 -0.005 0.000 0.220 438 G HA3 -0.124 3.833 3.960 -0.005 0.000 0.220 438 G C -0.432 174.440 174.900 -0.046 0.000 1.165 438 G CA -0.357 44.720 45.100 -0.039 0.000 1.013 438 G HN 0.602 nan 8.290 nan 0.000 0.590 439 E N 1.597 121.771 120.200 -0.044 0.000 2.313 439 E HA 0.604 4.951 4.350 -0.005 0.000 0.276 439 E C 1.485 178.060 176.600 -0.042 0.000 1.031 439 E CA 0.517 56.892 56.400 -0.040 0.000 0.857 439 E CB 1.173 30.844 29.700 -0.049 0.000 1.040 439 E HN 1.017 nan 8.360 nan 0.000 0.408 440 A N 3.190 126.008 122.820 -0.003 0.000 1.877 440 A HA -0.195 4.122 4.320 -0.005 0.000 0.216 440 A C 1.922 179.547 177.584 0.068 0.000 1.186 440 A CA 2.332 54.409 52.037 0.065 0.000 0.620 440 A CB -0.898 18.192 19.000 0.150 0.000 0.822 440 A HN 0.712 nan 8.150 nan 0.000 0.443 441 T N -2.455 112.113 114.554 0.024 0.000 3.077 441 T HA -0.041 4.306 4.350 -0.005 0.000 0.269 441 T C 1.340 176.038 174.700 -0.003 0.000 1.146 441 T CA 1.496 63.602 62.100 0.011 0.000 1.091 441 T CB -0.166 68.686 68.868 -0.026 0.000 0.892 441 T HN 0.641 nan 8.240 nan 0.000 0.533 442 E N 0.509 120.699 120.200 -0.017 0.000 2.162 442 E HA 0.020 4.367 4.350 -0.005 0.000 0.193 442 E C 2.246 178.829 176.600 -0.028 0.000 0.953 442 E CA 0.716 57.101 56.400 -0.024 0.000 0.849 442 E CB -0.015 29.666 29.700 -0.031 0.000 0.810 442 E HN 0.420 nan 8.360 nan 0.000 0.470 443 T N 1.454 115.974 114.554 -0.056 0.000 2.803 443 T HA -0.156 4.191 4.350 -0.005 0.000 0.269 443 T C 1.960 176.659 174.700 -0.001 0.000 1.052 443 T CA 1.147 63.182 62.100 -0.107 0.000 1.136 443 T CB -0.164 68.498 68.868 -0.344 0.000 0.864 443 T HN 0.200 nan 8.240 nan 0.000 0.467 444 A N 1.249 124.120 122.820 0.085 0.000 1.908 444 A HA -0.054 4.263 4.320 -0.005 0.000 0.218 444 A C 2.118 179.725 177.584 0.037 0.000 1.181 444 A CA 1.257 53.363 52.037 0.115 0.000 0.627 444 A CB -0.700 18.357 19.000 0.095 0.000 0.818 444 A HN 0.358 nan 8.150 nan 0.000 0.445 445 L N -0.278 120.949 121.223 0.006 0.000 2.093 445 L HA -0.104 4.233 4.340 -0.005 0.000 0.208 445 L C 2.713 179.566 176.870 -0.029 0.000 1.085 445 L CA 2.306 57.134 54.840 -0.020 0.000 0.755 445 L CB -1.424 40.619 42.059 -0.027 0.000 0.904 445 L HN 0.374 nan 8.230 nan 0.000 0.435 446 T N -1.396 113.143 114.554 -0.025 0.000 2.652 446 T HA -0.226 4.122 4.350 -0.005 0.000 0.267 446 T C 1.879 176.561 174.700 -0.030 0.000 1.039 446 T CA 2.083 64.165 62.100 -0.031 0.000 1.153 446 T CB -0.470 68.376 68.868 -0.037 0.000 0.863 446 T HN 0.559 nan 8.240 nan 0.000 0.428 447 T N 1.283 115.830 114.554 -0.012 0.000 2.915 447 T HA -0.024 4.323 4.350 -0.005 0.000 0.269 447 T C 2.013 176.688 174.700 -0.042 0.000 1.071 447 T CA 0.936 63.021 62.100 -0.025 0.000 1.132 447 T CB -0.500 68.380 68.868 0.019 0.000 0.878 447 T HN 0.194 nan 8.240 nan 0.000 0.479 448 L N 1.319 122.521 121.223 -0.035 0.000 2.046 448 L HA 0.066 4.403 4.340 -0.005 0.000 0.208 448 L C 2.570 179.396 176.870 -0.074 0.000 1.077 448 L CA 1.527 56.334 54.840 -0.056 0.000 0.747 448 L CB -0.854 41.172 42.059 -0.055 0.000 0.896 448 L HN 0.181 nan 8.230 nan 0.000 0.432 449 V N -0.009 119.863 119.914 -0.070 0.000 2.407 449 V HA -0.224 3.893 4.120 -0.005 0.000 0.248 449 V C 2.634 178.687 176.094 -0.069 0.000 1.055 449 V CA 1.801 64.055 62.300 -0.078 0.000 1.049 449 V CB -0.731 31.052 31.823 -0.067 0.000 0.662 449 V HN 0.486 nan 8.190 nan 0.000 0.455 450 E N 0.016 120.180 120.200 -0.060 0.000 2.204 450 E HA -0.158 4.189 4.350 -0.005 0.000 0.194 450 E C 2.190 178.750 176.600 -0.067 0.000 0.989 450 E CA 0.884 57.249 56.400 -0.058 0.000 0.824 450 E CB -0.105 29.553 29.700 -0.069 0.000 0.756 450 E HN 0.602 nan 8.360 nan 0.000 0.477 451 K N -0.135 120.220 120.400 -0.074 0.000 2.098 451 K HA 0.099 4.416 4.320 -0.005 0.000 0.203 451 K C 2.269 178.822 176.600 -0.078 0.000 1.051 451 K CA 0.650 56.892 56.287 -0.073 0.000 0.957 451 K CB -0.018 32.438 32.500 -0.073 0.000 0.738 451 K HN 0.041 nan 8.250 nan 0.000 0.447 452 M N 0.718 120.260 119.600 -0.097 0.000 2.086 452 M HA -0.127 4.350 4.480 -0.005 0.000 0.261 452 M C 0.483 176.716 176.300 -0.112 0.000 1.067 452 M CA 0.720 55.947 55.300 -0.123 0.000 1.116 452 M CB -0.372 32.132 32.600 -0.161 0.000 1.348 452 M HN 0.141 nan 8.290 nan 0.000 0.407 453 N N 0.872 119.514 118.700 -0.096 0.000 2.688 453 N HA -0.127 4.610 4.740 -0.005 0.000 0.258 453 N C 0.383 175.821 175.510 -0.120 0.000 1.016 453 N CA 0.634 53.642 53.050 -0.071 0.000 0.747 453 N CB -0.698 37.765 38.487 -0.040 0.000 0.895 453 N HN 0.363 nan 8.380 nan 0.000 0.543 454 V N -2.726 117.043 119.914 -0.243 0.000 2.867 454 V HA -0.060 4.057 4.120 -0.005 0.000 0.260 454 V C 1.454 177.235 176.094 -0.522 0.000 1.099 454 V CA 1.535 63.582 62.300 -0.421 0.000 1.122 454 V CB -0.785 30.664 31.823 -0.623 0.000 0.708 454 V HN 0.263 nan 8.190 nan 0.000 0.490 455 F N 0.745 120.676 119.950 -0.031 0.000 2.654 455 F HA 0.496 5.020 4.527 -0.005 0.000 0.303 455 F C 1.035 176.823 175.800 -0.021 0.000 1.099 455 F CA -1.100 56.885 58.000 -0.026 0.000 1.270 455 F CB -0.638 38.345 39.000 -0.028 0.000 1.024 455 F HN 0.156 nan 8.300 nan 0.000 0.548 456 N N 0.705 119.452 118.700 0.078 0.000 2.716 456 N HA -0.184 4.553 4.740 -0.005 0.000 0.250 456 N C 0.015 175.563 175.510 0.062 0.000 1.033 456 N CA 1.060 54.139 53.050 0.050 0.000 0.727 456 N CB -1.706 36.804 38.487 0.038 0.000 0.950 456 N HN 0.146 nan 8.380 nan 0.000 0.541 457 T N 0.659 115.261 114.554 0.079 0.000 2.937 457 T HA -0.024 4.323 4.350 -0.005 0.000 0.316 457 T C 0.850 175.568 174.700 0.030 0.000 1.079 457 T CA 0.052 62.187 62.100 0.058 0.000 1.131 457 T CB 0.922 69.827 68.868 0.062 0.000 1.000 457 T HN 0.138 nan 8.240 nan 0.000 0.549 458 E N 1.762 121.974 120.200 0.020 0.000 2.257 458 E HA 0.240 4.587 4.350 -0.005 0.000 0.278 458 E C 0.448 177.052 176.600 0.006 0.000 1.049 458 E CA -0.355 56.052 56.400 0.011 0.000 0.876 458 E CB 0.275 29.979 29.700 0.007 0.000 1.035 458 E HN 0.418 nan 8.360 nan 0.000 0.419 459 V N 2.472 122.387 119.914 0.002 0.000 3.382 459 V HA 0.194 4.311 4.120 -0.005 0.000 0.296 459 V C 1.688 177.779 176.094 -0.006 0.000 1.529 459 V CA 0.468 62.766 62.300 -0.002 0.000 1.048 459 V CB -0.220 31.600 31.823 -0.005 0.000 0.878 459 V HN 0.627 nan 8.190 nan 0.000 0.442 460 R N 1.256 121.753 120.500 -0.005 0.000 2.096 460 R HA 0.013 4.350 4.340 -0.005 0.000 0.235 460 R C 0.972 177.267 176.300 -0.009 0.000 1.127 460 R CA 2.003 58.099 56.100 -0.007 0.000 0.968 460 R CB -0.592 29.706 30.300 -0.004 0.000 0.861 460 R HN 0.493 nan 8.270 nan 0.000 0.440 461 N N 1.145 119.841 118.700 -0.007 0.000 2.466 461 N HA 0.186 4.923 4.740 -0.005 0.000 0.251 461 N C -0.722 174.781 175.510 -0.011 0.000 1.164 461 N CA 0.182 53.226 53.050 -0.008 0.000 0.888 461 N CB 0.496 38.980 38.487 -0.005 0.000 1.177 461 N HN 0.244 nan 8.380 nan 0.000 0.498 462 L N 0.062 121.275 121.223 -0.016 0.000 2.322 462 L HA 0.412 4.749 4.340 -0.005 0.000 0.269 462 L C 0.871 177.719 176.870 -0.038 0.000 1.012 462 L CA -0.847 53.981 54.840 -0.020 0.000 0.815 462 L CB 1.610 43.661 42.059 -0.013 0.000 1.295 462 L HN 0.036 nan 8.230 nan 0.000 0.438 463 S N 0.038 115.710 115.700 -0.047 0.000 2.632 463 S HA 0.260 4.727 4.470 -0.005 0.000 0.267 463 S C 0.808 175.316 174.600 -0.154 0.000 1.276 463 S CA -0.777 57.370 58.200 -0.089 0.000 0.998 463 S CB 1.382 64.544 63.200 -0.063 0.000 0.953 463 S HN 0.522 nan 8.310 nan 0.000 0.547 464 K N 0.713 120.910 120.400 -0.340 0.000 2.074 464 K HA -0.118 4.200 4.320 -0.005 0.000 0.209 464 K C 2.244 178.586 176.600 -0.431 0.000 1.048 464 K CA 1.614 57.514 56.287 -0.646 0.000 0.926 464 K CB -1.314 30.083 32.500 -1.838 0.000 0.713 464 K HN 0.725 nan 8.250 nan 0.000 0.444 465 V N -0.383 119.384 119.914 -0.245 0.000 2.343 465 V HA -0.220 3.897 4.120 -0.005 0.000 0.247 465 V C 1.938 178.059 176.094 0.045 0.000 1.051 465 V CA 1.665 63.974 62.300 0.015 0.000 1.036 465 V CB -0.708 31.162 31.823 0.078 0.000 0.654 465 V HN 0.241 nan 8.190 nan 0.000 0.451 466 E N 0.507 120.713 120.200 0.010 0.000 2.107 466 E HA -0.169 4.178 4.350 -0.005 0.000 0.191 466 E C 2.339 178.962 176.600 0.037 0.000 0.982 466 E CA 1.059 57.473 56.400 0.023 0.000 0.809 466 E CB -0.278 29.425 29.700 0.005 0.000 0.756 466 E HN 0.463 nan 8.360 nan 0.000 0.459 467 R N 1.589 122.110 120.500 0.035 0.000 2.159 467 R HA -0.096 4.241 4.340 -0.005 0.000 0.237 467 R C 1.929 178.274 176.300 0.075 0.000 1.131 467 R CA 1.417 57.545 56.100 0.046 0.000 0.982 467 R CB -0.645 29.683 30.300 0.047 0.000 0.868 467 R HN 0.172 nan 8.270 nan 0.000 0.453 468 A N -0.200 122.726 122.820 0.176 0.000 2.070 468 A HA -0.063 4.254 4.320 -0.005 0.000 0.220 468 A C 1.093 178.727 177.584 0.083 0.000 1.159 468 A CA 1.594 53.748 52.037 0.195 0.000 0.656 468 A CB -0.106 19.116 19.000 0.370 0.000 0.800 468 A HN 0.452 nan 8.150 nan 0.000 0.453 469 N N -1.788 116.949 118.700 0.062 0.000 2.232 469 N HA 0.272 5.009 4.740 -0.005 0.000 0.240 469 N C 1.206 176.730 175.510 0.023 0.000 1.307 469 N CA 0.683 53.754 53.050 0.035 0.000 0.859 469 N CB 0.542 39.051 38.487 0.037 0.000 1.260 469 N HN 0.328 nan 8.380 nan 0.000 0.501 470 A N 0.712 123.545 122.820 0.021 0.000 1.849 470 A HA -0.189 4.128 4.320 -0.005 0.000 0.217 470 A C 2.311 179.907 177.584 0.021 0.000 1.202 470 A CA 1.655 53.703 52.037 0.017 0.000 0.629 470 A CB -0.945 18.063 19.000 0.014 0.000 0.834 470 A HN 0.422 nan 8.150 nan 0.000 0.447 471 C N -0.352 118.961 119.300 0.020 0.000 2.435 471 C HA -0.045 4.412 4.460 -0.005 0.000 0.279 471 C C 2.632 177.646 174.990 0.041 0.000 1.321 471 C CA 0.782 59.823 59.018 0.039 0.000 1.752 471 C CB -1.652 26.099 27.740 0.018 0.000 1.959 471 C HN 0.616 nan 8.230 nan 0.000 0.500 472 N N 0.834 119.544 118.700 0.016 0.000 2.142 472 N HA -0.129 4.608 4.740 -0.005 0.000 0.186 472 N C 2.028 177.545 175.510 0.012 0.000 1.023 472 N CA 1.497 54.551 53.050 0.007 0.000 0.852 472 N CB -0.341 38.144 38.487 -0.003 0.000 0.998 472 N HN 0.491 nan 8.380 nan 0.000 0.424 473 S N 0.654 116.362 115.700 0.013 0.000 2.370 473 S HA -0.076 4.391 4.470 -0.005 0.000 0.226 473 S C 2.148 176.748 174.600 -0.000 0.000 1.033 473 S CA 0.877 59.081 58.200 0.006 0.000 1.011 473 S CB -0.222 62.982 63.200 0.007 0.000 0.852 473 S HN 0.065 nan 8.310 nan 0.000 0.457 474 V N 1.810 121.729 119.914 0.010 0.000 2.332 474 V HA -0.165 3.952 4.120 -0.005 0.000 0.248 474 V C 2.226 178.304 176.094 -0.026 0.000 1.055 474 V CA 2.033 64.325 62.300 -0.014 0.000 1.038 474 V CB -0.594 31.244 31.823 0.025 0.000 0.651 474 V HN 0.528 nan 8.190 nan 0.000 0.450 475 I N -0.725 119.870 120.570 0.041 0.000 2.439 475 I HA -0.153 4.014 4.170 -0.005 0.000 0.251 475 I C 2.536 178.649 176.117 -0.007 0.000 1.139 475 I CA 1.150 62.478 61.300 0.047 0.000 1.438 475 I CB -0.361 37.679 38.000 0.068 0.000 1.085 475 I HN 0.175 nan 8.210 nan 0.000 0.427 476 R N 0.450 120.944 120.500 -0.009 0.000 2.285 476 R HA -0.104 4.233 4.340 -0.005 0.000 0.213 476 R C 1.780 178.071 176.300 -0.014 0.000 1.068 476 R CA 0.713 56.807 56.100 -0.010 0.000 1.004 476 R CB -0.106 30.192 30.300 -0.004 0.000 0.873 476 R HN 0.530 nan 8.270 nan 0.000 0.467 477 Q N -0.104 119.678 119.800 -0.030 0.000 2.408 477 Q HA 0.093 4.430 4.340 -0.005 0.000 0.205 477 Q C 1.716 177.687 176.000 -0.049 0.000 0.919 477 Q CA 0.358 56.137 55.803 -0.039 0.000 0.932 477 Q CB 0.424 29.130 28.738 -0.055 0.000 1.058 477 Q HN 0.318 nan 8.270 nan 0.000 0.517 478 L N -0.458 120.733 121.223 -0.054 0.000 2.341 478 L HA 0.103 4.440 4.340 -0.005 0.000 0.214 478 L C 0.670 177.534 176.870 -0.011 0.000 1.115 478 L CA 0.515 55.324 54.840 -0.051 0.000 0.820 478 L CB 0.125 42.148 42.059 -0.059 0.000 0.944 478 L HN 0.207 nan 8.230 nan 0.000 0.452 479 M N -0.568 119.037 119.600 0.007 0.000 2.484 479 M HA 0.372 4.849 4.480 -0.005 0.000 0.289 479 M C -0.980 175.335 176.300 0.023 0.000 1.206 479 M CA -0.626 54.693 55.300 0.031 0.000 0.892 479 M CB 2.504 35.160 32.600 0.094 0.000 1.712 479 M HN -0.284 nan 8.290 nan 0.000 0.462 480 K N 2.466 122.878 120.400 0.019 0.000 2.211 480 K HA 0.291 4.608 4.320 -0.005 0.000 0.275 480 K C -0.740 175.874 176.600 0.023 0.000 1.024 480 K CA -0.177 56.123 56.287 0.021 0.000 0.887 480 K CB 0.990 33.503 32.500 0.022 0.000 1.084 480 K HN 0.644 nan 8.250 nan 0.000 0.463 481 K N 4.968 125.384 120.400 0.027 0.000 2.262 481 K HA 0.035 4.352 4.320 -0.005 0.000 0.288 481 K C 0.549 177.166 176.600 0.029 0.000 1.090 481 K CA -0.128 56.171 56.287 0.020 0.000 0.918 481 K CB 0.587 33.105 32.500 0.030 0.000 1.139 481 K HN 0.432 nan 8.250 nan 0.000 0.462 482 E N 3.347 123.553 120.200 0.010 0.000 2.047 482 E HA -0.078 4.269 4.350 -0.005 0.000 0.191 482 E C 0.301 177.014 176.600 0.188 0.000 0.987 482 E CA 1.205 57.658 56.400 0.089 0.000 0.799 482 E CB -0.143 29.638 29.700 0.135 0.000 0.752 482 E HN 0.602 nan 8.360 nan 0.000 0.449 483 F N -2.537 117.447 119.950 0.058 0.000 2.858 483 F HA 0.472 4.996 4.527 -0.005 0.000 0.319 483 F C -0.794 175.015 175.800 0.015 0.000 1.166 483 F CA -1.204 56.800 58.000 0.007 0.000 0.899 483 F CB 1.465 40.428 39.000 -0.062 0.000 1.332 483 F HN -0.257 nan 8.300 nan 0.000 0.461 484 T N 0.951 115.671 114.554 0.277 0.000 2.886 484 T HA 0.635 4.982 4.350 -0.005 0.000 0.292 484 T C -1.384 173.384 174.700 0.114 0.000 1.012 484 T CA -0.739 61.447 62.100 0.143 0.000 0.982 484 T CB 1.368 70.296 68.868 0.099 0.000 1.018 484 T HN 0.853 nan 8.240 nan 0.000 0.451 485 L N 4.289 125.505 121.223 -0.011 0.000 2.315 485 L HA 0.379 4.716 4.340 -0.005 0.000 0.278 485 L C 0.905 177.808 176.870 0.056 0.000 1.088 485 L CA -0.742 53.919 54.840 -0.300 0.000 0.899 485 L CB 0.115 41.831 42.059 -0.571 0.000 1.277 485 L HN 0.739 nan 8.230 nan 0.000 0.431 486 E N 1.615 121.936 120.200 0.202 0.000 2.492 486 E HA -0.098 4.249 4.350 -0.005 0.000 0.266 486 E C -0.218 176.585 176.600 0.338 0.000 1.047 486 E CA 0.017 56.581 56.400 0.274 0.000 0.968 486 E CB 0.644 30.503 29.700 0.265 0.000 0.960 486 E HN 0.278 nan 8.360 nan 0.000 0.452 487 F N 2.025 122.071 119.950 0.159 0.000 2.607 487 F HA -0.033 4.492 4.527 -0.005 0.000 0.374 487 F C 0.389 176.270 175.800 0.136 0.000 1.104 487 F CA 0.531 58.614 58.000 0.139 0.000 1.296 487 F CB 0.578 39.637 39.000 0.099 0.000 1.085 487 F HN 0.206 nan 8.300 nan 0.000 0.584 488 S N 5.107 120.513 115.700 -0.490 0.000 2.542 488 S HA 0.521 4.988 4.470 -0.005 0.000 0.293 488 S C 0.542 174.784 174.600 -0.597 0.000 1.089 488 S CA -1.006 56.994 58.200 -0.333 0.000 0.961 488 S CB 1.767 64.854 63.200 -0.188 0.000 1.062 488 S HN 0.713 nan 8.310 nan 0.000 0.483 489 R N 2.115 122.469 120.500 -0.243 0.000 2.115 489 R HA 0.053 4.390 4.340 -0.005 0.000 0.226 489 R C 1.429 177.649 176.300 -0.132 0.000 1.100 489 R CA 1.924 57.945 56.100 -0.131 0.000 0.980 489 R CB -0.885 29.429 30.300 0.023 0.000 0.875 489 R HN 0.871 nan 8.270 nan 0.000 0.445 490 D N 0.018 120.337 120.400 -0.135 0.000 2.103 490 D HA -0.155 4.482 4.640 -0.005 0.000 0.199 490 D C 1.873 178.107 176.300 -0.109 0.000 0.978 490 D CA 0.674 54.615 54.000 -0.100 0.000 0.829 490 D CB -0.231 40.514 40.800 -0.092 0.000 0.981 490 D HN 0.155 nan 8.370 nan 0.000 0.464 491 R N 0.782 121.191 120.500 -0.152 0.000 2.093 491 R HA -0.025 4.312 4.340 -0.005 0.000 0.224 491 R C 0.285 176.500 176.300 -0.142 0.000 1.101 491 R CA 0.784 56.811 56.100 -0.121 0.000 0.979 491 R CB -0.067 30.175 30.300 -0.096 0.000 0.877 491 R HN -0.034 nan 8.270 nan 0.000 0.441 492 K N 0.573 120.782 120.400 -0.320 0.000 3.125 492 K HA -0.157 4.160 4.320 -0.005 0.000 0.268 492 K C -1.369 175.205 176.600 -0.043 0.000 1.078 492 K CA 0.713 56.841 56.287 -0.265 0.000 0.775 492 K CB -1.311 31.191 32.500 0.003 0.000 1.253 492 K HN 0.570 nan 8.250 nan 0.000 0.486 493 S N -1.099 114.519 115.700 -0.136 0.000 2.615 493 S HA 0.755 5.222 4.470 -0.005 0.000 0.269 493 S C -0.876 173.824 174.600 0.167 0.000 1.161 493 S CA -1.179 57.096 58.200 0.124 0.000 0.817 493 S CB 2.557 65.815 63.200 0.097 0.000 1.131 493 S HN 0.248 nan 8.310 nan 0.000 0.467 494 M N 2.112 121.853 119.600 0.234 0.000 2.501 494 M HA 0.684 5.161 4.480 -0.005 0.000 0.293 494 M C -1.505 174.887 176.300 0.153 0.000 1.192 494 M CA -0.231 55.204 55.300 0.225 0.000 0.886 494 M CB 2.111 34.880 32.600 0.282 0.000 1.710 494 M HN 1.243 nan 8.290 nan 0.000 0.457 495 S N 2.593 118.364 115.700 0.118 0.000 2.618 495 S HA 0.893 5.360 4.470 -0.005 0.000 0.277 495 S C -1.142 173.487 174.600 0.049 0.000 1.138 495 S CA -0.629 57.622 58.200 0.084 0.000 0.844 495 S CB 1.820 65.063 63.200 0.071 0.000 1.127 495 S HN 0.968 nan 8.310 nan 0.000 0.474 496 V N -0.760 119.168 119.914 0.023 0.000 2.876 496 V HA 0.735 4.852 4.120 -0.005 0.000 0.312 496 V C -1.508 174.479 176.094 -0.177 0.000 1.085 496 V CA -0.969 61.306 62.300 -0.042 0.000 0.945 496 V CB 1.296 33.140 31.823 0.036 0.000 1.017 496 V HN 1.020 nan 8.190 nan 0.000 0.428 497 Y N 2.570 122.521 120.300 -0.581 0.000 2.331 497 Y HA 0.746 5.294 4.550 -0.005 0.000 0.338 497 Y C -0.193 175.395 175.900 -0.520 0.000 0.976 497 Y CA -0.500 57.156 58.100 -0.740 0.000 1.137 497 Y CB 1.147 38.678 38.460 -1.549 0.000 1.172 497 Y HN 0.987 nan 8.280 nan 0.000 0.478 498 C N 3.969 122.964 119.300 -0.507 0.000 2.561 498 C HA 0.769 5.226 4.460 -0.005 0.000 0.319 498 C C -0.341 174.478 174.990 -0.285 0.000 1.198 498 C CA -0.861 58.008 59.018 -0.247 0.000 1.665 498 C CB 0.980 28.688 27.740 -0.053 0.000 2.258 498 C HN 0.896 nan 8.230 nan 0.000 0.493 499 S N 2.175 117.815 115.700 -0.100 0.000 2.578 499 S HA 0.728 5.195 4.470 -0.005 0.000 0.301 499 S C -2.997 171.582 174.600 -0.035 0.000 1.091 499 S CA -1.219 56.941 58.200 -0.067 0.000 1.032 499 S CB 1.388 64.599 63.200 0.018 0.000 1.064 499 S HN 0.642 nan 8.310 nan 0.000 0.508 500 P HA 0.190 nan 4.420 nan 0.000 0.265 500 P C 0.147 177.442 177.300 -0.007 0.000 1.193 500 P CA -0.039 63.052 63.100 -0.016 0.000 0.765 500 P CB 0.912 32.600 31.700 -0.019 0.000 0.823 501 A N 5.252 128.068 122.820 -0.006 0.000 2.453 501 A HA 0.153 4.470 4.320 -0.005 0.000 0.225 501 A C 0.612 178.187 177.584 -0.015 0.000 2.127 501 A CA 0.367 52.399 52.037 -0.008 0.000 0.864 501 A CB -0.546 18.448 19.000 -0.009 0.000 1.440 501 A HN 0.381 nan 8.150 nan 0.000 0.566 502 K N 1.896 122.281 120.400 -0.025 0.000 2.469 502 K HA 0.041 4.358 4.320 -0.005 0.000 0.274 502 K C 1.243 177.828 176.600 -0.025 0.000 0.983 502 K CA 0.755 57.023 56.287 -0.030 0.000 0.974 502 K CB 0.446 32.917 32.500 -0.048 0.000 0.913 502 K HN 0.591 nan 8.250 nan 0.000 0.493 503 S N -0.132 115.554 115.700 -0.022 0.000 2.595 503 S HA -0.127 4.340 4.470 -0.005 0.000 0.235 503 S C 1.636 176.224 174.600 -0.020 0.000 0.974 503 S CA 0.934 59.123 58.200 -0.018 0.000 0.942 503 S CB -0.323 62.868 63.200 -0.015 0.000 0.766 503 S HN 0.591 nan 8.310 nan 0.000 0.536 504 S N 1.890 117.574 115.700 -0.028 0.000 2.400 504 S HA -0.047 4.420 4.470 -0.005 0.000 0.232 504 S C 0.997 175.584 174.600 -0.022 0.000 1.025 504 S CA 0.346 58.529 58.200 -0.030 0.000 0.993 504 S CB -0.376 62.796 63.200 -0.046 0.000 0.808 504 S HN 0.657 nan 8.310 nan 0.000 0.478 505 R N 0.129 120.617 120.500 -0.020 0.000 2.687 505 R HA 0.518 4.855 4.340 -0.005 0.000 0.264 505 R C 0.243 176.535 176.300 -0.012 0.000 1.715 505 R CA 0.350 56.443 56.100 -0.012 0.000 1.633 505 R CB 0.936 31.232 30.300 -0.007 0.000 1.353 505 R HN 0.319 nan 8.270 nan 0.000 0.653 506 A N 0.563 123.375 122.820 -0.012 0.000 2.195 506 A HA 0.184 4.501 4.320 -0.005 0.000 0.210 506 A C 1.640 179.216 177.584 -0.013 0.000 1.165 506 A CA 0.778 52.808 52.037 -0.012 0.000 0.806 506 A CB 0.321 19.315 19.000 -0.010 0.000 0.847 506 A HN 0.492 nan 8.150 nan 0.000 0.482 507 A N -0.325 122.488 122.820 -0.012 0.000 2.327 507 A HA 0.437 4.754 4.320 -0.005 0.000 0.228 507 A C 1.441 179.015 177.584 -0.017 0.000 1.275 507 A CA 0.553 52.582 52.037 -0.013 0.000 0.875 507 A CB -0.400 18.594 19.000 -0.010 0.000 0.925 507 A HN 0.223 nan 8.150 nan 0.000 0.493 508 V N -0.626 119.276 119.914 -0.020 0.000 2.374 508 V HA 0.367 4.484 4.120 -0.005 0.000 0.241 508 V C 1.568 177.635 176.094 -0.046 0.000 1.034 508 V CA 1.280 63.564 62.300 -0.026 0.000 1.037 508 V CB -1.313 30.499 31.823 -0.017 0.000 0.682 508 V HN 1.080 nan 8.190 nan 0.000 0.463 509 G N 0.249 109.019 108.800 -0.050 0.000 2.631 509 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.504 509 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.504 509 G C -0.589 174.240 174.900 -0.119 0.000 1.306 509 G CA -0.226 44.833 45.100 -0.068 0.000 0.897 509 G HN 0.476 nan 8.290 nan 0.000 0.520 510 N N 0.767 119.371 118.700 -0.160 0.000 2.508 510 N HA 0.496 5.233 4.740 -0.005 0.000 0.264 510 N C -0.105 175.134 175.510 -0.451 0.000 1.216 510 N CA -0.141 52.713 53.050 -0.328 0.000 0.943 510 N CB 0.600 38.877 38.487 -0.350 0.000 1.113 510 N HN 0.422 nan 8.380 nan 0.000 0.447 511 K N 1.547 121.554 120.400 -0.655 0.000 2.443 511 K HA 0.494 4.811 4.320 -0.005 0.000 0.251 511 K C -0.984 175.020 176.600 -0.993 0.000 0.972 511 K CA -0.509 55.322 56.287 -0.760 0.000 0.833 511 K CB 2.289 34.298 32.500 -0.817 0.000 1.317 511 K HN 0.484 nan 8.250 nan 0.000 0.441 512 M N 1.794 120.873 119.600 -0.867 0.000 2.259 512 M HA 0.410 4.887 4.480 -0.005 0.000 0.304 512 M C -1.421 174.508 176.300 -0.618 0.000 1.019 512 M CA -0.691 54.228 55.300 -0.634 0.000 0.922 512 M CB 1.180 33.607 32.600 -0.288 0.000 1.600 512 M HN 0.342 nan 8.290 nan 0.000 0.433 513 F N 3.032 122.926 119.950 -0.094 0.000 2.411 513 F HA 0.640 5.164 4.527 -0.005 0.000 0.352 513 F C -0.146 175.638 175.800 -0.027 0.000 1.123 513 F CA -0.897 57.066 58.000 -0.061 0.000 1.044 513 F CB 1.165 40.124 39.000 -0.068 0.000 1.135 513 F HN 0.127 nan 8.300 nan 0.000 0.461 514 V N 3.427 123.435 119.914 0.157 0.000 2.815 514 V HA 0.705 4.822 4.120 -0.005 0.000 0.314 514 V C -0.593 175.557 176.094 0.094 0.000 1.064 514 V CA -1.148 61.219 62.300 0.112 0.000 0.952 514 V CB 2.262 34.141 31.823 0.093 0.000 1.020 514 V HN 0.766 nan 8.190 nan 0.000 0.439 515 K N 1.531 121.993 120.400 0.103 0.000 2.532 515 K HA 0.930 5.247 4.320 -0.005 0.000 0.265 515 K C -0.484 176.198 176.600 0.136 0.000 0.948 515 K CA -0.506 55.835 56.287 0.091 0.000 0.842 515 K CB 2.616 35.158 32.500 0.071 0.000 1.392 515 K HN 1.203 nan 8.250 nan 0.000 0.436 516 G N 0.050 108.930 108.800 0.133 0.000 2.317 516 G HA2 0.440 4.397 3.960 -0.005 0.000 0.293 516 G HA3 0.440 4.397 3.960 -0.005 0.000 0.293 516 G C -1.527 173.464 174.900 0.152 0.000 1.287 516 G CA -0.580 44.630 45.100 0.183 0.000 0.850 516 G HN 0.790 nan 8.290 nan 0.000 0.515 517 A N 0.609 123.530 122.820 0.167 0.000 2.548 517 A HA 0.542 4.859 4.320 -0.005 0.000 0.247 517 A C -0.627 177.022 177.584 0.108 0.000 1.067 517 A CA 0.427 52.543 52.037 0.132 0.000 0.757 517 A CB -0.064 19.012 19.000 0.127 0.000 0.996 517 A HN 0.374 nan 8.150 nan 0.000 0.504 518 P HA -0.273 nan 4.420 nan 0.000 0.214 518 P C 1.382 178.731 177.300 0.082 0.000 1.169 518 P CA 1.917 65.078 63.100 0.102 0.000 0.908 518 P CB 0.071 31.828 31.700 0.095 0.000 0.791 519 E N -0.421 119.816 120.200 0.061 0.000 2.033 519 E HA -0.192 4.155 4.350 -0.005 0.000 0.199 519 E C 2.374 178.998 176.600 0.040 0.000 1.011 519 E CA 2.266 58.690 56.400 0.040 0.000 0.815 519 E CB -2.040 27.680 29.700 0.033 0.000 0.755 519 E HN 0.290 nan 8.360 nan 0.000 0.451 520 G N 1.213 110.041 108.800 0.047 0.000 2.402 520 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.216 520 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.216 520 G C 1.894 176.827 174.900 0.055 0.000 1.162 520 G CA 1.269 46.394 45.100 0.041 0.000 0.777 520 G HN 0.232 nan 8.290 nan 0.000 0.539 521 V N 1.037 120.998 119.914 0.079 0.000 2.307 521 V HA -0.093 4.024 4.120 -0.005 0.000 0.245 521 V C 2.756 178.919 176.094 0.115 0.000 1.045 521 V CA 1.348 63.709 62.300 0.101 0.000 1.024 521 V CB -0.346 31.551 31.823 0.122 0.000 0.651 521 V HN 0.369 nan 8.190 nan 0.000 0.449 522 I N 0.187 120.824 120.570 0.112 0.000 2.286 522 I HA -0.226 3.941 4.170 -0.005 0.000 0.248 522 I C 2.152 178.289 176.117 0.033 0.000 1.115 522 I CA 1.436 62.786 61.300 0.083 0.000 1.392 522 I CB -0.419 37.589 38.000 0.014 0.000 1.065 522 I HN 0.303 nan 8.210 nan 0.000 0.418 523 D N 0.818 121.232 120.400 0.025 0.000 2.263 523 D HA -0.108 4.529 4.640 -0.005 0.000 0.208 523 D C 1.749 178.057 176.300 0.013 0.000 0.971 523 D CA 0.950 54.954 54.000 0.007 0.000 0.867 523 D CB -0.076 40.728 40.800 0.006 0.000 0.929 523 D HN 0.343 nan 8.370 nan 0.000 0.492 524 R N -0.504 120.018 120.500 0.037 0.000 2.426 524 R HA 0.208 4.545 4.340 -0.005 0.000 0.263 524 R C -0.175 176.158 176.300 0.055 0.000 0.961 524 R CA -0.124 56.001 56.100 0.042 0.000 1.086 524 R CB 0.149 30.482 30.300 0.055 0.000 1.186 524 R HN 0.056 nan 8.270 nan 0.000 0.537 525 C N 1.195 120.527 119.300 0.054 0.000 2.329 525 C HA 0.327 4.784 4.460 -0.005 0.000 0.329 525 C C 1.175 176.150 174.990 -0.025 0.000 1.275 525 C CA -0.759 58.303 59.018 0.073 0.000 1.726 525 C CB 0.973 28.801 27.740 0.147 0.000 2.291 525 C HN 0.461 nan 8.230 nan 0.000 0.514 526 N N 0.551 119.179 118.700 -0.120 0.000 2.220 526 N HA 0.159 4.896 4.740 -0.005 0.000 0.195 526 N C -0.793 174.334 175.510 -0.638 0.000 1.123 526 N CA 0.481 53.282 53.050 -0.415 0.000 0.874 526 N CB 0.421 38.540 38.487 -0.614 0.000 0.995 526 N HN 0.704 nan 8.380 nan 0.000 0.498 527 Y N -0.955 119.386 120.300 0.068 0.000 2.605 527 Y HA 0.594 5.141 4.550 -0.005 0.000 0.343 527 Y C -0.127 175.847 175.900 0.124 0.000 1.036 527 Y CA -1.011 57.135 58.100 0.077 0.000 1.065 527 Y CB 1.616 40.117 38.460 0.068 0.000 1.288 527 Y HN -0.429 nan 8.280 nan 0.000 0.481 528 V N 1.687 121.782 119.914 0.302 0.000 2.709 528 V HA 0.524 4.641 4.120 -0.005 0.000 0.308 528 V C -0.681 175.561 176.094 0.247 0.000 1.062 528 V CA -1.067 61.411 62.300 0.297 0.000 0.901 528 V CB 2.052 34.000 31.823 0.208 0.000 1.003 528 V HN 0.695 nan 8.190 nan 0.000 0.425 529 R N 2.868 123.509 120.500 0.235 0.000 2.404 529 R HA 0.727 5.064 4.340 -0.005 0.000 0.291 529 R C -1.432 174.962 176.300 0.157 0.000 1.025 529 R CA -0.235 55.957 56.100 0.152 0.000 0.991 529 R CB 1.563 31.923 30.300 0.100 0.000 1.053 529 R HN 0.498 nan 8.270 nan 0.000 0.479 530 V N 5.754 125.743 119.914 0.125 0.000 2.385 530 V HA 0.417 4.534 4.120 -0.005 0.000 0.277 530 V C 0.890 177.048 176.094 0.106 0.000 1.012 530 V CA 0.283 62.658 62.300 0.125 0.000 0.832 530 V CB 0.559 32.450 31.823 0.114 0.000 1.028 530 V HN 1.151 nan 8.190 nan 0.000 0.436 531 G N 5.319 114.189 108.800 0.117 0.000 2.675 531 G HA2 -0.374 3.583 3.960 -0.005 0.000 0.312 531 G HA3 -0.374 3.583 3.960 -0.005 0.000 0.312 531 G C 0.977 175.920 174.900 0.072 0.000 1.186 531 G CA 1.327 46.487 45.100 0.101 0.000 0.965 531 G HN 1.198 nan 8.290 nan 0.000 0.548 532 T N -2.522 112.066 114.554 0.057 0.000 2.971 532 T HA 0.500 4.847 4.350 -0.005 0.000 0.252 532 T C 1.094 175.816 174.700 0.036 0.000 1.022 532 T CA 1.577 63.703 62.100 0.042 0.000 0.980 532 T CB 0.611 69.499 68.868 0.033 0.000 1.044 532 T HN 0.928 nan 8.240 nan 0.000 0.501 533 T N 1.640 116.220 114.554 0.043 0.000 2.884 533 T HA 0.555 4.903 4.350 -0.005 0.000 0.277 533 T C -0.803 173.925 174.700 0.046 0.000 0.976 533 T CA -0.961 61.160 62.100 0.035 0.000 0.956 533 T CB 1.110 70.000 68.868 0.037 0.000 1.113 533 T HN 0.392 nan 8.240 nan 0.000 0.554 534 R N 1.150 121.672 120.500 0.037 0.000 2.621 534 R HA 0.652 4.989 4.340 -0.005 0.000 0.284 534 R C -1.530 174.829 176.300 0.097 0.000 0.998 534 R CA -0.668 55.469 56.100 0.062 0.000 0.895 534 R CB 1.482 31.777 30.300 -0.008 0.000 1.195 534 R HN 0.538 nan 8.270 nan 0.000 0.450 535 V N 0.234 120.239 119.914 0.152 0.000 3.001 535 V HA 0.728 4.845 4.120 -0.005 0.000 0.314 535 V C -2.598 173.631 176.094 0.224 0.000 1.099 535 V CA -2.512 59.883 62.300 0.159 0.000 0.989 535 V CB 1.849 33.739 31.823 0.111 0.000 1.040 535 V HN 0.725 nan 8.190 nan 0.000 0.434 536 P HA 0.194 nan 4.420 nan 0.000 0.272 536 P C -0.603 176.713 177.300 0.026 0.000 1.223 536 P CA -0.294 62.865 63.100 0.098 0.000 0.784 536 P CB 0.673 32.401 31.700 0.047 0.000 0.923 537 M N 3.312 122.880 119.600 -0.053 0.000 2.194 537 M HA 0.205 4.682 4.480 -0.005 0.000 0.347 537 M C -0.210 176.054 176.300 -0.059 0.000 1.439 537 M CA 0.551 55.819 55.300 -0.053 0.000 1.131 537 M CB -0.528 32.024 32.600 -0.081 0.000 1.733 537 M HN 0.420 nan 8.290 nan 0.000 0.467 538 T N 1.619 116.144 114.554 -0.048 0.000 2.932 538 T HA 0.684 5.031 4.350 -0.005 0.000 0.289 538 T C 1.069 175.735 174.700 -0.057 0.000 1.039 538 T CA -0.540 61.533 62.100 -0.044 0.000 1.024 538 T CB 1.393 70.246 68.868 -0.026 0.000 1.090 538 T HN 0.689 nan 8.240 nan 0.000 0.496 539 G N 1.214 109.985 108.800 -0.049 0.000 2.529 539 G HA2 -0.127 3.830 3.960 -0.005 0.000 0.219 539 G HA3 -0.127 3.830 3.960 -0.005 0.000 0.219 539 G C -0.952 173.909 174.900 -0.065 0.000 1.177 539 G CA 0.975 46.043 45.100 -0.054 0.000 0.773 539 G HN 0.655 nan 8.290 nan 0.000 0.573 540 P HA -0.026 nan 4.420 nan 0.000 0.216 540 P C 2.114 179.352 177.300 -0.103 0.000 1.150 540 P CA 0.779 63.837 63.100 -0.069 0.000 0.837 540 P CB -0.054 31.619 31.700 -0.045 0.000 0.786 541 V N 0.246 120.101 119.914 -0.099 0.000 2.307 541 V HA -0.229 3.888 4.120 -0.005 0.000 0.245 541 V C 2.494 178.486 176.094 -0.169 0.000 1.045 541 V CA 1.792 64.015 62.300 -0.129 0.000 1.024 541 V CB -0.989 30.778 31.823 -0.093 0.000 0.651 541 V HN 0.113 nan 8.190 nan 0.000 0.449 542 K N 0.014 120.323 120.400 -0.151 0.000 2.063 542 K HA -0.240 4.078 4.320 -0.005 0.000 0.208 542 K C 2.111 178.618 176.600 -0.154 0.000 1.048 542 K CA 1.896 58.082 56.287 -0.168 0.000 0.928 542 K CB -0.119 32.307 32.500 -0.122 0.000 0.713 542 K HN 0.570 nan 8.250 nan 0.000 0.442 543 E N 0.328 120.451 120.200 -0.128 0.000 2.038 543 E HA -0.210 4.137 4.350 -0.005 0.000 0.195 543 E C 2.083 178.593 176.600 -0.150 0.000 1.000 543 E CA 1.058 57.388 56.400 -0.117 0.000 0.803 543 E CB 0.012 29.653 29.700 -0.098 0.000 0.750 543 E HN 0.099 nan 8.360 nan 0.000 0.448 544 K N 0.751 121.042 120.400 -0.182 0.000 2.063 544 K HA -0.164 4.153 4.320 -0.005 0.000 0.208 544 K C 2.023 178.457 176.600 -0.277 0.000 1.048 544 K CA 0.964 57.110 56.287 -0.235 0.000 0.928 544 K CB -0.243 32.095 32.500 -0.270 0.000 0.713 544 K HN 0.049 nan 8.250 nan 0.000 0.442 545 I N 1.374 121.791 120.570 -0.255 0.000 2.179 545 I HA -0.240 3.927 4.170 -0.005 0.000 0.242 545 I C 2.305 178.346 176.117 -0.128 0.000 1.088 545 I CA 1.094 62.267 61.300 -0.211 0.000 1.357 545 I CB -0.780 37.022 38.000 -0.329 0.000 1.051 545 I HN 0.059 nan 8.210 nan 0.000 0.409 546 L N 0.108 121.251 121.223 -0.132 0.000 2.141 546 L HA -0.184 4.153 4.340 -0.005 0.000 0.209 546 L C 2.612 179.428 176.870 -0.090 0.000 1.094 546 L CA 1.470 56.260 54.840 -0.084 0.000 0.763 546 L CB -0.709 41.305 42.059 -0.075 0.000 0.908 546 L HN 0.386 nan 8.230 nan 0.000 0.437 547 S N -0.824 114.799 115.700 -0.129 0.000 2.383 547 S HA -0.106 4.361 4.470 -0.005 0.000 0.227 547 S C 1.845 176.348 174.600 -0.160 0.000 1.026 547 S CA 0.975 59.100 58.200 -0.124 0.000 0.981 547 S CB -0.534 62.587 63.200 -0.133 0.000 0.818 547 S HN 0.167 nan 8.310 nan 0.000 0.472 548 V N 1.685 121.435 119.914 -0.273 0.000 2.719 548 V HA 0.041 4.158 4.120 -0.005 0.000 0.252 548 V C 2.342 178.198 176.094 -0.396 0.000 1.065 548 V CA 1.252 63.290 62.300 -0.437 0.000 1.086 548 V CB -0.692 30.655 31.823 -0.794 0.000 0.700 548 V HN 0.481 nan 8.190 nan 0.000 0.467 549 I N 0.108 120.580 120.570 -0.162 0.000 2.252 549 I HA -0.219 3.948 4.170 -0.005 0.000 0.245 549 I C 2.551 178.696 176.117 0.046 0.000 1.102 549 I CA 1.416 62.709 61.300 -0.010 0.000 1.385 549 I CB -0.301 37.727 38.000 0.047 0.000 1.064 549 I HN 0.225 nan 8.210 nan 0.000 0.414 550 K N 1.463 121.867 120.400 0.006 0.000 2.026 550 K HA -0.201 4.116 4.320 -0.005 0.000 0.208 550 K C 1.891 178.536 176.600 0.074 0.000 1.048 550 K CA 1.691 57.998 56.287 0.033 0.000 0.929 550 K CB -0.175 32.325 32.500 0.000 0.000 0.713 550 K HN 0.278 nan 8.250 nan 0.000 0.439 551 E N -1.058 119.181 120.200 0.066 0.000 2.058 551 E HA -0.195 4.152 4.350 -0.005 0.000 0.194 551 E C 1.736 178.521 176.600 0.307 0.000 0.997 551 E CA 1.434 57.924 56.400 0.150 0.000 0.801 551 E CB -0.248 29.541 29.700 0.149 0.000 0.746 551 E HN 0.403 nan 8.360 nan 0.000 0.450 552 W N 0.097 121.427 121.300 0.050 0.000 2.425 552 W HA 0.033 4.690 4.660 -0.005 0.000 0.277 552 W C 2.201 178.747 176.519 0.045 0.000 1.231 552 W CA 1.004 58.383 57.345 0.057 0.000 1.248 552 W CB -0.907 28.612 29.460 0.098 0.000 1.117 552 W HN 0.086 nan 8.180 nan 0.000 0.568 553 G N -0.872 108.086 108.800 0.264 0.000 2.848 553 G HA2 0.165 4.122 3.960 -0.005 0.000 0.208 553 G HA3 0.165 4.122 3.960 -0.005 0.000 0.208 553 G C 0.310 175.273 174.900 0.106 0.000 1.152 553 G CA 1.205 46.400 45.100 0.159 0.000 0.789 553 G HN 0.199 nan 8.290 nan 0.000 0.531 554 T N -4.957 109.660 114.554 0.104 0.000 2.648 554 T HA 0.639 4.986 4.350 -0.005 0.000 0.304 554 T C 0.600 175.336 174.700 0.059 0.000 1.312 554 T CA 0.280 62.418 62.100 0.064 0.000 1.023 554 T CB 1.490 70.386 68.868 0.047 0.000 1.612 554 T HN 1.599 nan 8.240 nan 0.000 0.487 555 G N 0.862 109.682 108.800 0.034 0.000 2.539 555 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.256 555 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.256 555 G C 0.663 175.574 174.900 0.018 0.000 1.233 555 G CA 0.561 45.676 45.100 0.025 0.000 0.936 555 G HN 0.986 nan 8.290 nan 0.000 0.571 556 R N 0.305 120.813 120.500 0.014 0.000 2.139 556 R HA -0.070 4.267 4.340 -0.005 0.000 0.243 556 R C 2.018 178.309 176.300 -0.016 0.000 1.145 556 R CA 1.982 58.081 56.100 -0.002 0.000 0.976 556 R CB -0.303 29.993 30.300 -0.006 0.000 0.866 556 R HN 0.595 nan 8.270 nan 0.000 0.449 557 D N -0.238 120.154 120.400 -0.013 0.000 2.154 557 D HA -0.036 4.601 4.640 -0.005 0.000 0.211 557 D C 0.418 176.708 176.300 -0.018 0.000 0.977 557 D CA 0.998 54.970 54.000 -0.046 0.000 0.869 557 D CB -0.192 40.560 40.800 -0.079 0.000 1.022 557 D HN -0.016 nan 8.370 nan 0.000 0.461 558 T N 1.244 115.814 114.554 0.027 0.000 3.626 558 T HA -0.187 4.160 4.350 -0.005 0.000 0.393 558 T C 0.225 174.941 174.700 0.027 0.000 0.765 558 T CA 0.191 62.313 62.100 0.036 0.000 2.006 558 T CB -1.702 67.178 68.868 0.021 0.000 1.739 558 T HN 0.112 nan 8.240 nan 0.000 0.720 559 L N 0.110 121.360 121.223 0.045 0.000 2.375 559 L HA 0.543 4.880 4.340 -0.005 0.000 0.268 559 L C 1.113 178.028 176.870 0.075 0.000 1.058 559 L CA -1.116 53.745 54.840 0.034 0.000 0.803 559 L CB 0.869 42.933 42.059 0.008 0.000 1.212 559 L HN 0.141 nan 8.230 nan 0.000 0.451 560 R N 0.446 120.980 120.500 0.058 0.000 2.234 560 R HA 0.353 4.690 4.340 -0.005 0.000 0.324 560 R C -1.132 175.226 176.300 0.097 0.000 1.054 560 R CA -0.457 55.685 56.100 0.070 0.000 0.912 560 R CB 0.668 30.995 30.300 0.045 0.000 1.030 560 R HN 0.550 nan 8.270 nan 0.000 0.455 561 C N 3.832 123.206 119.300 0.122 0.000 2.376 561 C HA 0.555 5.012 4.460 -0.005 0.000 0.335 561 C C -0.585 174.466 174.990 0.102 0.000 1.229 561 C CA -0.728 58.377 59.018 0.145 0.000 1.867 561 C CB 0.814 28.666 27.740 0.187 0.000 2.319 561 C HN 0.558 nan 8.230 nan 0.000 0.515 562 L N 2.687 123.958 121.223 0.080 0.000 2.410 562 L HA 0.712 5.049 4.340 -0.005 0.000 0.270 562 L C 0.110 176.995 176.870 0.026 0.000 0.983 562 L CA -0.187 54.689 54.840 0.059 0.000 0.822 562 L CB 1.432 43.516 42.059 0.042 0.000 1.285 562 L HN 0.853 nan 8.230 nan 0.000 0.409 563 A N 5.456 128.306 122.820 0.050 0.000 2.309 563 A HA 0.808 5.125 4.320 -0.005 0.000 0.298 563 A C -0.999 176.570 177.584 -0.024 0.000 1.165 563 A CA -0.424 51.636 52.037 0.038 0.000 0.821 563 A CB 0.381 19.482 19.000 0.167 0.000 1.102 563 A HN 0.653 nan 8.150 nan 0.000 0.500 564 L N 1.597 122.722 121.223 -0.164 0.000 2.341 564 L HA 0.814 5.151 4.340 -0.005 0.000 0.278 564 L C 0.253 177.000 176.870 -0.205 0.000 1.005 564 L CA -0.379 54.372 54.840 -0.149 0.000 0.818 564 L CB 1.761 43.714 42.059 -0.176 0.000 1.259 564 L HN 0.860 nan 8.230 nan 0.000 0.418 565 A N 1.493 124.281 122.820 -0.053 0.000 2.588 565 A HA 0.882 5.199 4.320 -0.005 0.000 0.290 565 A C -0.817 176.814 177.584 0.079 0.000 1.136 565 A CA -0.437 51.595 52.037 -0.008 0.000 0.681 565 A CB 2.299 21.336 19.000 0.063 0.000 1.282 565 A HN 0.606 nan 8.150 nan 0.000 0.421 566 T N -0.875 113.729 114.554 0.083 0.000 2.900 566 T HA 0.641 4.988 4.350 -0.005 0.000 0.303 566 T C -0.919 173.779 174.700 -0.004 0.000 1.142 566 T CA -0.564 61.568 62.100 0.053 0.000 1.007 566 T CB 1.541 70.493 68.868 0.140 0.000 1.156 566 T HN 0.802 nan 8.240 nan 0.000 0.490 567 R N 2.432 122.876 120.500 -0.094 0.000 2.204 567 R HA 0.291 4.629 4.340 -0.005 0.000 0.341 567 R C 0.331 176.552 176.300 -0.131 0.000 1.035 567 R CA -0.504 55.559 56.100 -0.061 0.000 0.887 567 R CB 0.353 30.623 30.300 -0.050 0.000 1.114 567 R HN 0.682 nan 8.270 nan 0.000 0.473 568 D N 1.598 121.947 120.400 -0.084 0.000 2.117 568 D HA -0.094 4.543 4.640 -0.005 0.000 0.197 568 D C -0.021 176.207 176.300 -0.120 0.000 0.987 568 D CA 1.591 55.522 54.000 -0.115 0.000 0.829 568 D CB 0.372 41.099 40.800 -0.121 0.000 0.961 568 D HN 0.427 nan 8.370 nan 0.000 0.460 569 T N 3.243 117.750 114.554 -0.079 0.000 3.331 569 T HA 0.265 4.612 4.350 -0.005 0.000 0.381 569 T C -2.354 172.329 174.700 -0.029 0.000 1.656 569 T CA -1.251 60.815 62.100 -0.056 0.000 1.453 569 T CB 2.096 70.948 68.868 -0.026 0.000 1.066 569 T HN 0.041 nan 8.240 nan 0.000 0.655 570 P HA 0.373 nan 4.420 nan 0.000 0.274 570 P C -2.738 174.613 177.300 0.084 0.000 1.237 570 P CA -1.474 61.625 63.100 -0.002 0.000 0.793 570 P CB 0.169 31.792 31.700 -0.128 0.000 0.977 571 P HA 0.189 nan 4.420 nan 0.000 0.271 571 P C -0.460 176.917 177.300 0.129 0.000 1.244 571 P CA 0.025 63.179 63.100 0.091 0.000 0.793 571 P CB 0.237 31.955 31.700 0.030 0.000 0.984 572 K N 1.057 121.491 120.400 0.056 0.000 2.174 572 K HA 0.220 4.537 4.320 -0.005 0.000 0.275 572 K C 1.264 177.829 176.600 -0.059 0.000 1.015 572 K CA -0.125 56.191 56.287 0.048 0.000 0.933 572 K CB 0.288 32.803 32.500 0.025 0.000 1.025 572 K HN 0.161 nan 8.250 nan 0.000 0.463 573 R N 1.591 122.020 120.500 -0.118 0.000 2.140 573 R HA -0.227 4.110 4.340 -0.005 0.000 0.250 573 R C 1.285 177.467 176.300 -0.197 0.000 1.150 573 R CA 1.776 57.730 56.100 -0.244 0.000 0.966 573 R CB -0.492 29.694 30.300 -0.189 0.000 0.869 573 R HN 0.695 nan 8.270 nan 0.000 0.445 574 E N 0.803 120.936 120.200 -0.112 0.000 2.085 574 E HA -0.205 4.142 4.350 -0.005 0.000 0.194 574 E C 1.254 177.806 176.600 -0.080 0.000 0.994 574 E CA 1.745 58.094 56.400 -0.084 0.000 0.801 574 E CB -0.205 29.468 29.700 -0.044 0.000 0.743 574 E HN 0.635 nan 8.360 nan 0.000 0.453 575 E N 0.181 120.338 120.200 -0.072 0.000 2.416 575 E HA 0.057 4.404 4.350 -0.005 0.000 0.189 575 E C -0.051 176.499 176.600 -0.083 0.000 1.091 575 E CA 0.158 56.531 56.400 -0.045 0.000 0.889 575 E CB -0.120 29.575 29.700 -0.009 0.000 1.015 575 E HN 0.240 nan 8.360 nan 0.000 0.479 576 M N 1.446 120.930 119.600 -0.194 0.000 2.321 576 M HA 0.294 4.771 4.480 -0.005 0.000 0.315 576 M C -1.066 175.134 176.300 -0.167 0.000 1.052 576 M CA -0.901 54.184 55.300 -0.358 0.000 0.936 576 M CB 2.915 35.091 32.600 -0.706 0.000 1.639 576 M HN -0.175 nan 8.290 nan 0.000 0.433 577 V N 5.132 125.105 119.914 0.099 0.000 2.364 577 V HA 0.259 4.376 4.120 -0.005 0.000 0.272 577 V C 0.577 176.802 176.094 0.218 0.000 1.036 577 V CA -0.277 62.098 62.300 0.125 0.000 0.880 577 V CB 1.094 33.019 31.823 0.170 0.000 0.991 577 V HN 0.839 nan 8.190 nan 0.000 0.460 578 L N 3.282 124.537 121.223 0.053 0.000 2.667 578 L HA 0.201 4.538 4.340 -0.005 0.000 0.232 578 L C 1.418 178.424 176.870 0.227 0.000 1.138 578 L CA 0.062 54.969 54.840 0.112 0.000 0.921 578 L CB -0.017 41.877 42.059 -0.274 0.000 1.180 578 L HN 0.742 nan 8.230 nan 0.000 0.487 579 D N -1.632 118.856 120.400 0.148 0.000 2.350 579 D HA -0.044 4.593 4.640 -0.005 0.000 0.213 579 D C 0.289 176.618 176.300 0.048 0.000 1.031 579 D CA 0.191 54.248 54.000 0.095 0.000 0.861 579 D CB 0.262 41.083 40.800 0.035 0.000 0.926 579 D HN 0.065 nan 8.370 nan 0.000 0.520 580 D N 0.197 120.600 120.400 0.005 0.000 2.542 580 D HA 0.095 4.732 4.640 -0.005 0.000 0.252 580 D C 0.977 176.879 176.300 -0.664 0.000 1.222 580 D CA -0.426 53.453 54.000 -0.202 0.000 0.895 580 D CB 1.849 42.571 40.800 -0.131 0.000 1.207 580 D HN -0.103 nan 8.370 nan 0.000 0.558 581 S N 1.671 116.789 115.700 -0.970 0.000 2.493 581 S HA -0.191 4.276 4.470 -0.005 0.000 0.243 581 S C 1.659 175.697 174.600 -0.936 0.000 0.991 581 S CA 1.208 58.388 58.200 -1.701 0.000 0.957 581 S CB -0.375 62.380 63.200 -0.741 0.000 0.756 581 S HN 0.379 nan 8.310 nan 0.000 0.521 582 S N 1.190 116.566 115.700 -0.539 0.000 2.515 582 S HA 0.117 4.584 4.470 -0.005 0.000 0.231 582 S C 1.739 176.167 174.600 -0.287 0.000 0.987 582 S CA 0.061 58.071 58.200 -0.316 0.000 0.936 582 S CB -0.306 62.768 63.200 -0.210 0.000 0.766 582 S HN 0.616 nan 8.310 nan 0.000 0.528 583 R N -0.530 119.759 120.500 -0.351 0.000 2.265 583 R HA 0.382 4.719 4.340 -0.005 0.000 0.194 583 R C 1.559 177.606 176.300 -0.422 0.000 0.931 583 R CA 0.265 56.154 56.100 -0.350 0.000 1.032 583 R CB -0.200 29.934 30.300 -0.277 0.000 0.980 583 R HN 0.484 nan 8.270 nan 0.000 0.497 584 F N 0.993 120.772 119.950 -0.286 0.000 2.091 584 F HA -0.332 4.193 4.527 -0.005 0.000 0.299 584 F C 2.638 178.375 175.800 -0.105 0.000 1.103 584 F CA 0.784 58.722 58.000 -0.104 0.000 1.228 584 F CB -0.272 38.755 39.000 0.045 0.000 0.984 584 F HN 0.051 nan 8.300 nan 0.000 0.477 585 M N 0.572 120.215 119.600 0.073 0.000 2.106 585 M HA -0.284 4.193 4.480 -0.005 0.000 0.259 585 M C 2.057 178.363 176.300 0.011 0.000 1.068 585 M CA 1.947 57.267 55.300 0.033 0.000 1.100 585 M CB -0.203 32.386 32.600 -0.019 0.000 1.351 585 M HN 0.011 nan 8.290 nan 0.000 0.404 586 E N -0.357 119.792 120.200 -0.085 0.000 2.150 586 E HA -0.171 4.176 4.350 -0.005 0.000 0.193 586 E C 1.428 178.065 176.600 0.062 0.000 0.985 586 E CA 1.585 57.948 56.400 -0.061 0.000 0.814 586 E CB -0.337 29.279 29.700 -0.141 0.000 0.752 586 E HN 0.642 nan 8.360 nan 0.000 0.466 587 Y N 0.677 121.048 120.300 0.119 0.000 2.373 587 Y HA 0.088 4.635 4.550 -0.005 0.000 0.293 587 Y C 0.788 176.746 175.900 0.097 0.000 1.129 587 Y CA 0.719 58.888 58.100 0.115 0.000 1.226 587 Y CB -0.180 38.362 38.460 0.137 0.000 1.000 587 Y HN 0.078 nan 8.280 nan 0.000 0.549 588 E N 0.955 121.293 120.200 0.230 0.000 2.325 588 E HA 0.153 4.500 4.350 -0.005 0.000 0.295 588 E C 0.053 176.723 176.600 0.116 0.000 1.461 588 E CA -0.141 56.352 56.400 0.154 0.000 1.698 588 E CB -0.123 29.659 29.700 0.138 0.000 1.496 588 E HN 0.263 nan 8.360 nan 0.000 0.474 589 T N -3.110 111.514 114.554 0.118 0.000 2.888 589 T HA 0.292 4.639 4.350 -0.005 0.000 0.288 589 T C 0.134 174.894 174.700 0.100 0.000 1.063 589 T CA -0.857 61.298 62.100 0.092 0.000 1.010 589 T CB 1.517 70.430 68.868 0.076 0.000 1.214 589 T HN 0.056 nan 8.240 nan 0.000 0.533 590 D N -0.339 120.111 120.400 0.084 0.000 2.723 590 D HA -0.136 4.501 4.640 -0.005 0.000 0.236 590 D C -0.519 175.888 176.300 0.179 0.000 1.138 590 D CA 0.553 54.618 54.000 0.110 0.000 0.676 590 D CB -1.647 39.232 40.800 0.131 0.000 1.069 590 D HN 0.640 nan 8.370 nan 0.000 0.430 591 L N -0.681 120.632 121.223 0.150 0.000 2.416 591 L HA 0.537 4.874 4.340 -0.005 0.000 0.262 591 L C 1.028 178.047 176.870 0.248 0.000 1.093 591 L CA -0.589 54.354 54.840 0.171 0.000 0.801 591 L CB 1.345 43.482 42.059 0.130 0.000 1.191 591 L HN -0.070 nan 8.230 nan 0.000 0.459 592 T N 1.219 115.908 114.554 0.224 0.000 2.788 592 T HA 0.297 4.644 4.350 -0.005 0.000 0.296 592 T C -0.478 174.348 174.700 0.210 0.000 1.009 592 T CA -0.303 61.952 62.100 0.258 0.000 0.949 592 T CB 0.408 69.382 68.868 0.177 0.000 0.946 592 T HN 0.260 nan 8.240 nan 0.000 0.453 593 F N 4.182 124.196 119.950 0.106 0.000 2.529 593 F HA 0.282 4.806 4.527 -0.005 0.000 0.365 593 F C 0.690 176.534 175.800 0.073 0.000 1.102 593 F CA 0.211 58.255 58.000 0.075 0.000 1.271 593 F CB 0.592 39.631 39.000 0.065 0.000 1.120 593 F HN 0.333 nan 8.300 nan 0.000 0.579 594 V N 4.177 123.607 119.914 -0.806 0.000 3.090 594 V HA 0.498 4.615 4.120 -0.005 0.000 0.237 594 V C 0.904 176.536 176.094 -0.771 0.000 1.209 594 V CA 0.601 62.579 62.300 -0.537 0.000 1.209 594 V CB 0.083 31.744 31.823 -0.271 0.000 0.971 594 V HN 1.094 nan 8.190 nan 0.000 0.477 595 G N -0.721 107.354 108.800 -1.208 0.000 0.000 595 G HA2 0.521 4.478 3.960 -0.005 0.000 0.000 595 G HA3 0.521 4.478 3.960 -0.005 0.000 0.000 595 G C -2.222 172.267 174.900 -0.686 0.000 0.000 595 G CA -0.098 44.526 45.100 -0.793 0.000 0.000 595 G HN -0.002 nan 8.290 nan 0.000 0.000 596 V N -0.256 119.247 119.914 -0.684 0.000 2.925 596 V HA 0.772 4.889 4.120 -0.005 0.000 0.311 596 V C -0.237 175.726 176.094 -0.218 0.000 1.104 596 V CA -0.572 61.432 62.300 -0.493 0.000 0.954 596 V CB 1.847 33.195 31.823 -0.792 0.000 1.022 596 V HN 1.492 nan 8.190 nan 0.000 0.427 597 V N 0.500 120.395 119.914 -0.033 0.000 2.735 597 V HA 1.053 5.170 4.120 -0.005 0.000 0.310 597 V C 0.072 176.253 176.094 0.145 0.000 1.061 597 V CA -0.408 61.934 62.300 0.071 0.000 0.913 597 V CB 1.669 33.494 31.823 0.003 0.000 1.005 597 V HN 1.048 nan 8.190 nan 0.000 0.428 598 G N 4.942 113.831 108.800 0.148 0.000 2.470 598 G HA2 0.755 4.712 3.960 -0.005 0.000 0.320 598 G HA3 0.755 4.712 3.960 -0.005 0.000 0.320 598 G C -0.780 174.116 174.900 -0.006 0.000 1.245 598 G CA -0.798 44.364 45.100 0.104 0.000 0.935 598 G HN 1.334 nan 8.290 nan 0.000 0.476 599 M N 1.289 120.891 119.600 0.004 0.000 2.664 599 M HA 0.890 5.367 4.480 -0.005 0.000 0.279 599 M C -1.686 174.603 176.300 -0.019 0.000 1.275 599 M CA -1.089 54.200 55.300 -0.018 0.000 0.829 599 M CB 2.680 35.280 32.600 -0.000 0.000 1.727 599 M HN 0.712 nan 8.290 nan 0.000 0.459 600 L N -1.062 120.141 121.223 -0.033 0.000 2.947 600 L HA 0.544 4.881 4.340 -0.005 0.000 0.267 600 L C -1.588 175.252 176.870 -0.050 0.000 1.004 600 L CA -0.915 53.905 54.840 -0.033 0.000 0.937 600 L CB 0.341 42.376 42.059 -0.039 0.000 1.496 600 L HN 0.865 nan 8.230 nan 0.000 0.409 601 D N 2.666 123.038 120.400 -0.046 0.000 2.416 601 D HA 0.422 5.059 4.640 -0.005 0.000 0.240 601 D C -2.267 173.987 176.300 -0.077 0.000 1.250 601 D CA -1.091 52.871 54.000 -0.063 0.000 0.967 601 D CB 0.423 41.196 40.800 -0.044 0.000 1.059 601 D HN 0.473 nan 8.370 nan 0.000 0.512 602 P HA 0.169 nan 4.420 nan 0.000 0.268 602 P C -2.613 174.628 177.300 -0.097 0.000 1.205 602 P CA -1.327 61.715 63.100 -0.096 0.000 0.771 602 P CB 0.059 31.696 31.700 -0.105 0.000 0.858 603 P HA 0.166 nan 4.420 nan 0.000 0.272 603 P C -0.010 177.223 177.300 -0.110 0.000 1.223 603 P CA -0.011 63.018 63.100 -0.119 0.000 0.784 603 P CB 0.589 32.214 31.700 -0.126 0.000 0.923 604 R N 1.718 122.146 120.500 -0.120 0.000 2.590 604 R HA 0.067 4.404 4.340 -0.005 0.000 0.274 604 R C 1.708 177.963 176.300 -0.074 0.000 1.061 604 R CA -0.113 55.938 56.100 -0.082 0.000 1.081 604 R CB 0.256 30.522 30.300 -0.057 0.000 0.984 604 R HN 0.460 nan 8.270 nan 0.000 0.448 605 K N 2.074 122.447 120.400 -0.046 0.000 2.077 605 K HA -0.224 4.093 4.320 -0.005 0.000 0.213 605 K C 1.272 177.855 176.600 -0.028 0.000 1.051 605 K CA 1.802 58.068 56.287 -0.036 0.000 0.929 605 K CB 0.039 32.527 32.500 -0.020 0.000 0.715 605 K HN 0.627 nan 8.250 nan 0.000 0.451 606 E N 1.142 121.339 120.200 -0.004 0.000 2.489 606 E HA -0.023 4.324 4.350 -0.005 0.000 0.193 606 E C 1.727 178.339 176.600 0.021 0.000 1.057 606 E CA 0.331 56.745 56.400 0.022 0.000 0.866 606 E CB -0.205 29.532 29.700 0.060 0.000 0.916 606 E HN 0.086 nan 8.360 nan 0.000 0.500 607 V N 1.411 121.281 119.914 -0.073 0.000 2.358 607 V HA -0.231 3.886 4.120 -0.005 0.000 0.246 607 V C 2.580 178.600 176.094 -0.124 0.000 1.047 607 V CA 1.978 64.157 62.300 -0.203 0.000 1.035 607 V CB -0.606 30.955 31.823 -0.436 0.000 0.658 607 V HN 0.255 nan 8.190 nan 0.000 0.452 608 M N 0.713 120.258 119.600 -0.093 0.000 2.067 608 M HA -0.104 4.373 4.480 -0.005 0.000 0.260 608 M C 2.101 178.385 176.300 -0.026 0.000 1.069 608 M CA 2.434 57.695 55.300 -0.066 0.000 1.117 608 M CB -0.656 31.910 32.600 -0.057 0.000 1.334 608 M HN 0.369 nan 8.290 nan 0.000 0.407 609 G N -0.823 107.972 108.800 -0.008 0.000 2.442 609 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.219 609 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.219 609 G C 1.424 176.344 174.900 0.032 0.000 1.141 609 G CA 1.131 46.237 45.100 0.010 0.000 0.763 609 G HN 0.543 nan 8.290 nan 0.000 0.554 610 S N 0.449 116.188 115.700 0.066 0.000 2.368 610 S HA -0.031 4.436 4.470 -0.005 0.000 0.225 610 S C 2.244 176.909 174.600 0.108 0.000 1.030 610 S CA 0.844 59.119 58.200 0.125 0.000 0.999 610 S CB -0.207 63.173 63.200 0.300 0.000 0.844 610 S HN 0.387 nan 8.310 nan 0.000 0.459 611 I N 1.263 121.877 120.570 0.074 0.000 2.394 611 I HA -0.187 3.980 4.170 -0.005 0.000 0.251 611 I C 2.651 178.780 176.117 0.021 0.000 1.136 611 I CA 1.032 62.359 61.300 0.044 0.000 1.425 611 I CB -0.226 37.763 38.000 -0.018 0.000 1.079 611 I HN 0.266 nan 8.210 nan 0.000 0.425 612 Q N 1.151 120.959 119.800 0.013 0.000 2.172 612 Q HA -0.096 4.241 4.340 -0.005 0.000 0.200 612 Q C 2.106 178.114 176.000 0.012 0.000 0.964 612 Q CA 1.491 57.298 55.803 0.007 0.000 0.855 612 Q CB -0.118 28.622 28.738 0.003 0.000 0.918 612 Q HN 0.479 nan 8.270 nan 0.000 0.444 613 L N -0.844 120.391 121.223 0.020 0.000 2.056 613 L HA -0.196 4.141 4.340 -0.005 0.000 0.207 613 L C 2.399 179.277 176.870 0.014 0.000 1.078 613 L CA 0.877 55.727 54.840 0.016 0.000 0.749 613 L CB -0.515 41.556 42.059 0.020 0.000 0.901 613 L HN 0.364 nan 8.230 nan 0.000 0.433 614 C N -0.557 118.756 119.300 0.022 0.000 2.429 614 C HA -0.166 4.291 4.460 -0.005 0.000 0.277 614 C C 2.942 177.937 174.990 0.008 0.000 1.262 614 C CA 0.605 59.633 59.018 0.015 0.000 1.733 614 C CB -0.935 26.823 27.740 0.030 0.000 2.010 614 C HN 0.445 nan 8.230 nan 0.000 0.483 615 R N 1.059 121.564 120.500 0.008 0.000 2.096 615 R HA -0.151 4.186 4.340 -0.005 0.000 0.240 615 R C 1.642 177.943 176.300 0.002 0.000 1.139 615 R CA 2.007 58.109 56.100 0.003 0.000 0.952 615 R CB -0.325 29.977 30.300 0.002 0.000 0.854 615 R HN 0.537 nan 8.270 nan 0.000 0.436 616 D N -0.572 119.830 120.400 0.003 0.000 2.310 616 D HA -0.089 4.548 4.640 -0.005 0.000 0.212 616 D C 1.011 177.311 176.300 -0.000 0.000 0.965 616 D CA 1.159 55.160 54.000 0.001 0.000 0.879 616 D CB 0.104 40.906 40.800 0.003 0.000 0.921 616 D HN 0.358 nan 8.370 nan 0.000 0.510 617 A N -0.174 122.646 122.820 -0.001 0.000 2.345 617 A HA 0.450 4.767 4.320 -0.005 0.000 0.225 617 A C 1.665 179.245 177.584 -0.006 0.000 1.243 617 A CA 0.662 52.696 52.037 -0.004 0.000 0.875 617 A CB -0.091 18.904 19.000 -0.007 0.000 0.929 617 A HN 0.170 nan 8.150 nan 0.000 0.502 618 G N -0.389 108.408 108.800 -0.005 0.000 2.179 618 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.257 618 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.257 618 G C -0.006 174.889 174.900 -0.007 0.000 1.010 618 G CA 0.533 45.629 45.100 -0.006 0.000 0.736 618 G HN 0.521 nan 8.290 nan 0.000 0.513 619 I N 0.445 121.012 120.570 -0.005 0.000 2.339 619 I HA 0.401 4.568 4.170 -0.005 0.000 0.290 619 I C 1.018 177.136 176.117 0.002 0.000 0.994 619 I CA -0.880 60.418 61.300 -0.005 0.000 1.191 619 I CB 1.128 39.123 38.000 -0.007 0.000 1.343 619 I HN 0.020 nan 8.210 nan 0.000 0.458 620 R N 4.178 124.680 120.500 0.004 0.000 2.560 620 R HA 0.618 4.955 4.340 -0.005 0.000 0.270 620 R C -0.975 175.336 176.300 0.017 0.000 1.074 620 R CA -0.556 55.548 56.100 0.008 0.000 1.140 620 R CB 1.432 31.738 30.300 0.011 0.000 1.073 620 R HN 0.346 nan 8.270 nan 0.000 0.527 621 V N 4.293 124.214 119.914 0.012 0.000 2.482 621 V HA 0.340 4.457 4.120 -0.005 0.000 0.295 621 V C -0.637 175.456 176.094 -0.003 0.000 1.026 621 V CA -0.690 61.623 62.300 0.022 0.000 0.856 621 V CB 1.732 33.572 31.823 0.027 0.000 1.001 621 V HN 0.530 nan 8.190 nan 0.000 0.424 622 I N 5.095 125.684 120.570 0.031 0.000 2.406 622 I HA 0.444 4.611 4.170 -0.005 0.000 0.290 622 I C -0.004 176.145 176.117 0.053 0.000 0.999 622 I CA -0.573 60.759 61.300 0.053 0.000 1.124 622 I CB 1.796 39.882 38.000 0.143 0.000 1.289 622 I HN 0.648 nan 8.210 nan 0.000 0.441 623 M N 7.019 126.626 119.600 0.011 0.000 2.146 623 M HA 0.439 4.916 4.480 -0.005 0.000 0.357 623 M C -1.290 175.070 176.300 0.101 0.000 1.261 623 M CA 0.017 55.323 55.300 0.010 0.000 1.106 623 M CB 0.663 33.222 32.600 -0.069 0.000 1.612 623 M HN 0.301 nan 8.290 nan 0.000 0.470 624 I N 4.808 125.425 120.570 0.078 0.000 2.493 624 I HA 0.288 4.455 4.170 -0.005 0.000 0.279 624 I C -0.300 175.841 176.117 0.041 0.000 1.045 624 I CA -0.221 61.131 61.300 0.087 0.000 1.106 624 I CB 1.072 39.087 38.000 0.026 0.000 1.216 624 I HN 0.653 nan 8.210 nan 0.000 0.459 625 T N 2.638 117.219 114.554 0.045 0.000 2.916 625 T HA 0.628 4.975 4.350 -0.005 0.000 0.292 625 T C 0.963 175.678 174.700 0.026 0.000 1.055 625 T CA -0.154 61.960 62.100 0.024 0.000 1.009 625 T CB 1.970 70.847 68.868 0.014 0.000 1.118 625 T HN 0.706 nan 8.240 nan 0.000 0.497 626 G N 1.490 110.300 108.800 0.017 0.000 2.777 626 G HA2 0.130 4.087 3.960 -0.005 0.000 0.211 626 G HA3 0.130 4.087 3.960 -0.005 0.000 0.211 626 G C 0.467 175.379 174.900 0.020 0.000 1.149 626 G CA -0.044 45.067 45.100 0.019 0.000 0.785 626 G HN 0.669 nan 8.290 nan 0.000 0.536 627 D N 1.194 121.605 120.400 0.017 0.000 2.371 627 D HA 0.030 4.667 4.640 -0.005 0.000 0.242 627 D C 0.773 177.088 176.300 0.024 0.000 1.218 627 D CA -0.539 53.472 54.000 0.018 0.000 0.945 627 D CB 0.518 41.325 40.800 0.011 0.000 1.137 627 D HN 0.282 nan 8.370 nan 0.000 0.464 628 N N 1.019 119.734 118.700 0.025 0.000 2.381 628 N HA -0.097 4.640 4.740 -0.005 0.000 0.241 628 N C 0.630 176.155 175.510 0.025 0.000 1.279 628 N CA -0.176 52.891 53.050 0.029 0.000 0.896 628 N CB 1.011 39.516 38.487 0.030 0.000 1.118 628 N HN 0.415 nan 8.380 nan 0.000 0.438 629 K N 1.257 121.673 120.400 0.026 0.000 2.057 629 K HA -0.101 4.216 4.320 -0.005 0.000 0.207 629 K C 1.986 178.597 176.600 0.018 0.000 1.049 629 K CA 1.587 57.887 56.287 0.021 0.000 0.931 629 K CB -0.733 31.775 32.500 0.014 0.000 0.714 629 K HN 0.744 nan 8.250 nan 0.000 0.440 630 G N -0.182 108.628 108.800 0.016 0.000 2.476 630 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.218 630 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.218 630 G C 1.418 176.328 174.900 0.017 0.000 1.164 630 G CA 1.586 46.695 45.100 0.015 0.000 0.768 630 G HN 0.374 nan 8.290 nan 0.000 0.560 631 T N 1.363 115.927 114.554 0.016 0.000 2.857 631 T HA 0.172 4.519 4.350 -0.005 0.000 0.266 631 T C 2.814 177.518 174.700 0.007 0.000 1.048 631 T CA 1.236 63.342 62.100 0.010 0.000 1.139 631 T CB -0.289 68.584 68.868 0.007 0.000 0.874 631 T HN 0.387 nan 8.240 nan 0.000 0.455 632 A N 1.895 124.723 122.820 0.013 0.000 1.883 632 A HA -0.068 4.249 4.320 -0.005 0.000 0.217 632 A C 2.197 179.797 177.584 0.026 0.000 1.186 632 A CA 1.208 53.251 52.037 0.010 0.000 0.624 632 A CB -0.656 18.355 19.000 0.019 0.000 0.822 632 A HN 0.370 nan 8.150 nan 0.000 0.444 633 I N -0.104 120.503 120.570 0.062 0.000 2.252 633 I HA -0.196 3.971 4.170 -0.005 0.000 0.245 633 I C 2.960 179.136 176.117 0.098 0.000 1.102 633 I CA 1.304 62.685 61.300 0.136 0.000 1.385 633 I CB -1.667 36.391 38.000 0.097 0.000 1.064 633 I HN 0.366 nan 8.210 nan 0.000 0.414 634 A N 1.225 124.071 122.820 0.043 0.000 1.883 634 A HA -0.191 4.126 4.320 -0.005 0.000 0.217 634 A C 2.220 179.805 177.584 0.003 0.000 1.186 634 A CA 1.435 53.485 52.037 0.022 0.000 0.624 634 A CB -0.637 18.367 19.000 0.007 0.000 0.822 634 A HN 0.286 nan 8.150 nan 0.000 0.444 635 I N -0.377 120.184 120.570 -0.015 0.000 2.394 635 I HA -0.209 3.958 4.170 -0.005 0.000 0.251 635 I C 2.502 178.579 176.117 -0.067 0.000 1.136 635 I CA 0.816 62.086 61.300 -0.049 0.000 1.425 635 I CB -1.547 36.416 38.000 -0.063 0.000 1.079 635 I HN 0.374 nan 8.210 nan 0.000 0.425 636 C N 0.610 119.876 119.300 -0.056 0.000 2.425 636 C HA -0.129 4.328 4.460 -0.005 0.000 0.277 636 C C 2.935 177.890 174.990 -0.057 0.000 1.280 636 C CA 0.616 59.554 59.018 -0.135 0.000 1.744 636 C CB -0.949 26.651 27.740 -0.232 0.000 1.989 636 C HN 0.447 nan 8.230 nan 0.000 0.491 637 R N 0.349 120.878 120.500 0.049 0.000 2.075 637 R HA -0.057 4.280 4.340 -0.005 0.000 0.232 637 R C 2.400 178.698 176.300 -0.004 0.000 1.126 637 R CA 1.078 57.215 56.100 0.060 0.000 0.963 637 R CB -0.323 30.018 30.300 0.067 0.000 0.858 637 R HN 0.556 nan 8.270 nan 0.000 0.435 638 R N 0.872 121.355 120.500 -0.028 0.000 2.120 638 R HA -0.087 4.250 4.340 -0.005 0.000 0.234 638 R C 2.217 178.478 176.300 -0.065 0.000 1.123 638 R CA 1.423 57.494 56.100 -0.048 0.000 0.975 638 R CB -0.274 29.991 30.300 -0.060 0.000 0.866 638 R HN 0.403 nan 8.270 nan 0.000 0.446 639 I N -4.431 116.087 120.570 -0.086 0.000 3.883 639 I HA 0.380 4.547 4.170 -0.005 0.000 0.326 639 I C 0.904 176.966 176.117 -0.093 0.000 1.283 639 I CA 0.561 61.796 61.300 -0.108 0.000 1.161 639 I CB 0.796 38.699 38.000 -0.163 0.000 1.012 639 I HN 0.174 nan 8.210 nan 0.000 0.421 640 G N 2.039 110.796 108.800 -0.072 0.000 2.159 640 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.227 640 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.227 640 G C 0.653 175.509 174.900 -0.075 0.000 0.986 640 G CA 0.345 45.414 45.100 -0.051 0.000 0.651 640 G HN 0.460 nan 8.290 nan 0.000 0.523 641 I N -0.515 119.959 120.570 -0.159 0.000 2.493 641 I HA 0.209 4.376 4.170 -0.005 0.000 0.254 641 I C 0.999 176.949 176.117 -0.279 0.000 1.160 641 I CA 1.061 62.189 61.300 -0.287 0.000 1.445 641 I CB -0.060 37.655 38.000 -0.474 0.000 1.086 641 I HN 0.229 nan 8.210 nan 0.000 0.433 642 F N -0.678 119.243 119.950 -0.048 0.000 2.588 642 F HA 0.511 5.035 4.527 -0.005 0.000 0.314 642 F C 0.836 176.610 175.800 -0.044 0.000 1.069 642 F CA -1.267 56.703 58.000 -0.050 0.000 0.931 642 F CB 1.450 40.414 39.000 -0.060 0.000 1.260 642 F HN -0.240 nan 8.300 nan 0.000 0.465 643 G N 0.872 109.776 108.800 0.175 0.000 2.569 643 G HA2 0.124 4.081 3.960 -0.005 0.000 0.249 643 G HA3 0.124 4.081 3.960 -0.005 0.000 0.249 643 G C 0.438 175.368 174.900 0.050 0.000 1.216 643 G CA -0.145 44.998 45.100 0.071 0.000 0.845 643 G HN 0.770 nan 8.290 nan 0.000 0.568 644 E N 0.152 120.366 120.200 0.024 0.000 2.171 644 E HA -0.117 4.230 4.350 -0.005 0.000 0.197 644 E C 1.485 178.084 176.600 -0.002 0.000 0.997 644 E CA 1.453 57.860 56.400 0.012 0.000 0.810 644 E CB 0.188 29.890 29.700 0.002 0.000 0.738 644 E HN 0.495 nan 8.360 nan 0.000 0.467 645 N N 0.050 118.742 118.700 -0.013 0.000 2.194 645 N HA 0.004 4.741 4.740 -0.005 0.000 0.231 645 N C -0.647 174.829 175.510 -0.056 0.000 1.247 645 N CA -0.082 52.950 53.050 -0.031 0.000 0.884 645 N CB 0.589 39.062 38.487 -0.024 0.000 1.146 645 N HN 0.207 nan 8.380 nan 0.000 0.516 646 E N 1.588 121.751 120.200 -0.062 0.000 2.437 646 E HA -0.084 4.263 4.350 -0.005 0.000 0.263 646 E C -0.362 176.128 176.600 -0.184 0.000 1.030 646 E CA 0.115 56.452 56.400 -0.106 0.000 0.934 646 E CB 0.729 30.371 29.700 -0.096 0.000 0.943 646 E HN 0.024 nan 8.360 nan 0.000 0.444 647 E N 2.768 122.858 120.200 -0.183 0.000 2.200 647 E HA 0.117 4.464 4.350 -0.005 0.000 0.283 647 E C -0.286 176.126 176.600 -0.314 0.000 1.015 647 E CA -0.502 55.772 56.400 -0.210 0.000 0.819 647 E CB 1.346 30.961 29.700 -0.142 0.000 1.081 647 E HN 0.308 nan 8.360 nan 0.000 0.397 648 V N 2.781 122.448 119.914 -0.411 0.000 3.039 648 V HA 0.488 4.605 4.120 -0.005 0.000 0.369 648 V C 1.334 177.198 176.094 -0.383 0.000 1.344 648 V CA 0.284 62.252 62.300 -0.553 0.000 1.270 648 V CB -0.267 31.017 31.823 -0.897 0.000 1.284 648 V HN 0.702 nan 8.190 nan 0.000 0.518 649 A N 1.091 123.747 122.820 -0.273 0.000 1.894 649 A HA -0.263 4.054 4.320 -0.005 0.000 0.220 649 A C 1.637 179.048 177.584 -0.288 0.000 1.237 649 A CA 2.661 54.565 52.037 -0.221 0.000 0.660 649 A CB -0.520 18.394 19.000 -0.144 0.000 0.835 649 A HN 0.625 nan 8.150 nan 0.000 0.461 650 D N -2.002 118.243 120.400 -0.258 0.000 2.593 650 D HA 0.259 4.896 4.640 -0.005 0.000 0.241 650 D C 0.682 176.816 176.300 -0.277 0.000 1.257 650 D CA -0.013 53.816 54.000 -0.285 0.000 0.828 650 D CB 0.298 41.079 40.800 -0.032 0.000 1.049 650 D HN 0.451 nan 8.370 nan 0.000 0.490 651 R N -0.078 120.218 120.500 -0.340 0.000 2.535 651 R HA 0.392 4.729 4.340 -0.005 0.000 0.323 651 R C 0.075 176.275 176.300 -0.168 0.000 0.979 651 R CA -0.078 55.931 56.100 -0.152 0.000 1.120 651 R CB 1.770 32.048 30.300 -0.036 0.000 1.306 651 R HN -0.062 nan 8.270 nan 0.000 0.540 652 A N 0.650 123.194 122.820 -0.461 0.000 2.429 652 A HA 0.644 4.961 4.320 -0.005 0.000 0.289 652 A C -1.661 175.588 177.584 -0.558 0.000 1.043 652 A CA -0.493 51.328 52.037 -0.360 0.000 0.722 652 A CB 0.830 19.734 19.000 -0.160 0.000 1.243 652 A HN 0.138 nan 8.150 nan 0.000 0.415 653 Y N 0.453 120.636 120.300 -0.196 0.000 2.512 653 Y HA 0.638 5.185 4.550 -0.005 0.000 0.348 653 Y C 1.051 176.972 175.900 0.035 0.000 0.990 653 Y CA -0.259 57.830 58.100 -0.017 0.000 1.033 653 Y CB 2.393 40.944 38.460 0.152 0.000 1.259 653 Y HN 0.787 nan 8.280 nan 0.000 0.461 654 T N -2.333 112.367 114.554 0.243 0.000 2.862 654 T HA 0.383 4.730 4.350 -0.005 0.000 0.276 654 T C 1.342 176.131 174.700 0.148 0.000 0.974 654 T CA -0.167 62.023 62.100 0.149 0.000 0.966 654 T CB 1.250 70.185 68.868 0.112 0.000 1.072 654 T HN 0.816 nan 8.240 nan 0.000 0.538 655 G N 0.198 109.020 108.800 0.037 0.000 2.446 655 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.217 655 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.217 655 G C 1.679 176.636 174.900 0.096 0.000 1.168 655 G CA 0.436 45.464 45.100 -0.120 0.000 0.771 655 G HN 0.764 nan 8.290 nan 0.000 0.551 656 R N 0.354 120.939 120.500 0.142 0.000 2.070 656 R HA -0.021 4.316 4.340 -0.005 0.000 0.233 656 R C 2.608 179.006 176.300 0.163 0.000 1.137 656 R CA 1.464 57.656 56.100 0.153 0.000 0.945 656 R CB -0.421 29.951 30.300 0.118 0.000 0.845 656 R HN 0.449 nan 8.270 nan 0.000 0.430 657 E N 0.042 120.354 120.200 0.187 0.000 2.130 657 E HA -0.246 4.101 4.350 -0.005 0.000 0.196 657 E C 1.742 178.463 176.600 0.202 0.000 0.998 657 E CA 1.398 57.933 56.400 0.224 0.000 0.806 657 E CB -0.230 29.670 29.700 0.334 0.000 0.738 657 E HN 0.279 nan 8.360 nan 0.000 0.459 658 F N 1.917 121.904 119.950 0.061 0.000 2.102 658 F HA -0.197 4.327 4.527 -0.005 0.000 0.298 658 F C 1.757 177.552 175.800 -0.007 0.000 1.105 658 F CA 1.440 59.410 58.000 -0.050 0.000 1.239 658 F CB 0.155 39.150 39.000 -0.008 0.000 0.991 658 F HN -0.113 nan 8.300 nan 0.000 0.474 659 D N 0.079 120.556 120.400 0.127 0.000 2.264 659 D HA -0.138 4.499 4.640 -0.005 0.000 0.208 659 D C 1.418 177.708 176.300 -0.017 0.000 0.966 659 D CA 1.008 55.048 54.000 0.067 0.000 0.864 659 D CB -0.461 40.455 40.800 0.192 0.000 0.933 659 D HN 0.371 nan 8.370 nan 0.000 0.499 660 D N 0.002 120.400 120.400 -0.003 0.000 2.363 660 D HA 0.027 4.664 4.640 -0.005 0.000 0.226 660 D C 0.487 176.751 176.300 -0.060 0.000 1.020 660 D CA 0.166 54.161 54.000 -0.008 0.000 0.892 660 D CB 0.474 41.292 40.800 0.031 0.000 0.900 660 D HN 0.236 nan 8.370 nan 0.000 0.531 661 L N 1.834 122.968 121.223 -0.150 0.000 2.309 661 L HA 0.315 4.652 4.340 -0.005 0.000 0.282 661 L C -2.176 174.577 176.870 -0.195 0.000 1.036 661 L CA -1.999 52.720 54.840 -0.201 0.000 0.806 661 L CB 1.502 43.345 42.059 -0.361 0.000 1.220 661 L HN -0.312 nan 8.230 nan 0.000 0.429 662 P HA 0.041 nan 4.420 nan 0.000 0.268 662 P C 0.705 177.918 177.300 -0.145 0.000 1.205 662 P CA -0.479 62.556 63.100 -0.109 0.000 0.771 662 P CB 0.695 32.349 31.700 -0.077 0.000 0.858 663 L N 3.042 124.204 121.223 -0.102 0.000 2.030 663 L HA -0.326 4.011 4.340 -0.005 0.000 0.222 663 L C 2.586 179.350 176.870 -0.177 0.000 1.082 663 L CA 2.934 57.724 54.840 -0.084 0.000 0.785 663 L CB -2.165 39.892 42.059 -0.004 0.000 0.895 663 L HN 0.494 nan 8.230 nan 0.000 0.439 664 A N -1.245 121.496 122.820 -0.133 0.000 1.908 664 A HA -0.216 4.101 4.320 -0.005 0.000 0.218 664 A C 2.215 179.702 177.584 -0.162 0.000 1.181 664 A CA 1.805 53.761 52.037 -0.134 0.000 0.627 664 A CB -0.440 18.513 19.000 -0.078 0.000 0.818 664 A HN 0.494 nan 8.150 nan 0.000 0.445 665 E N -0.147 119.956 120.200 -0.161 0.000 2.106 665 E HA -0.187 4.160 4.350 -0.005 0.000 0.192 665 E C 2.206 178.662 176.600 -0.240 0.000 0.984 665 E CA 1.193 57.500 56.400 -0.156 0.000 0.806 665 E CB -0.451 29.163 29.700 -0.143 0.000 0.750 665 E HN 0.784 nan 8.360 nan 0.000 0.458 666 Q N 0.479 120.048 119.800 -0.384 0.000 2.030 666 Q HA -0.190 4.147 4.340 -0.005 0.000 0.204 666 Q C 2.371 178.101 176.000 -0.450 0.000 0.986 666 Q CA 1.653 57.127 55.803 -0.549 0.000 0.843 666 Q CB -0.224 28.129 28.738 -0.642 0.000 0.904 666 Q HN 0.103 nan 8.270 nan 0.000 0.420 667 R N 0.653 120.667 120.500 -0.809 0.000 2.094 667 R HA -0.242 4.095 4.340 -0.005 0.000 0.239 667 R C 2.173 178.406 176.300 -0.110 0.000 1.137 667 R CA 1.893 57.517 56.100 -0.795 0.000 0.943 667 R CB -0.133 29.814 30.300 -0.590 0.000 0.850 667 R HN 0.108 nan 8.270 nan 0.000 0.433 668 E N 0.227 120.395 120.200 -0.052 0.000 2.077 668 E HA -0.137 4.210 4.350 -0.005 0.000 0.193 668 E C 1.672 178.311 176.600 0.066 0.000 0.989 668 E CA 1.732 58.158 56.400 0.043 0.000 0.800 668 E CB -0.329 29.382 29.700 0.019 0.000 0.746 668 E HN 0.456 nan 8.360 nan 0.000 0.452 669 A N -0.233 122.635 122.820 0.081 0.000 1.978 669 A HA -0.212 4.105 4.320 -0.005 0.000 0.220 669 A C 2.482 180.310 177.584 0.406 0.000 1.170 669 A CA 1.533 53.709 52.037 0.233 0.000 0.636 669 A CB -0.976 18.130 19.000 0.176 0.000 0.810 669 A HN 0.496 nan 8.150 nan 0.000 0.448 670 C N -1.231 118.279 119.300 0.349 0.000 2.432 670 C HA 0.044 4.501 4.460 -0.005 0.000 0.282 670 C C 2.642 177.760 174.990 0.213 0.000 1.388 670 C CA 0.645 59.874 59.018 0.352 0.000 1.777 670 C CB -1.231 26.669 27.740 0.267 0.000 1.882 670 C HN 0.533 nan 8.230 nan 0.000 0.520 671 R N -0.043 120.513 120.500 0.093 0.000 2.254 671 R HA 0.070 4.407 4.340 -0.005 0.000 0.195 671 R C 2.348 178.663 176.300 0.024 0.000 0.957 671 R CA 0.266 56.341 56.100 -0.041 0.000 1.024 671 R CB -0.087 30.066 30.300 -0.245 0.000 0.952 671 R HN 0.541 nan 8.270 nan 0.000 0.484 672 R N 0.271 120.830 120.500 0.098 0.000 2.102 672 R HA 0.207 4.544 4.340 -0.005 0.000 0.208 672 R C 0.221 176.601 176.300 0.133 0.000 1.131 672 R CA 0.461 56.621 56.100 0.100 0.000 1.054 672 R CB 0.252 30.617 30.300 0.107 0.000 0.954 672 R HN 0.014 nan 8.270 nan 0.000 0.465 673 A N 0.190 123.129 122.820 0.198 0.000 2.351 673 A HA 0.268 4.585 4.320 -0.005 0.000 0.257 673 A C 0.344 177.967 177.584 0.065 0.000 1.087 673 A CA -0.356 51.740 52.037 0.099 0.000 0.798 673 A CB 0.602 19.609 19.000 0.012 0.000 1.033 673 A HN 0.614 nan 8.150 nan 0.000 0.488 674 C N 0.085 119.368 119.300 -0.029 0.000 3.491 674 C HA 0.378 4.835 4.460 -0.005 0.000 0.298 674 C C 0.384 175.263 174.990 -0.184 0.000 1.424 674 C CA -0.428 58.544 59.018 -0.077 0.000 1.772 674 C CB -1.289 26.339 27.740 -0.187 0.000 2.447 674 C HN 0.812 nan 8.230 nan 0.000 0.670 675 C N 1.749 120.886 119.300 -0.272 0.000 2.522 675 C HA 0.712 5.169 4.460 -0.005 0.000 0.344 675 C C -1.427 173.334 174.990 -0.383 0.000 1.104 675 C CA -0.484 58.413 59.018 -0.201 0.000 1.317 675 C CB -0.907 26.822 27.740 -0.018 0.000 1.896 675 C HN 0.466 nan 8.230 nan 0.000 0.443 676 F N 5.030 124.990 119.950 0.017 0.000 2.403 676 F HA 0.684 5.208 4.527 -0.005 0.000 0.355 676 F C 0.586 176.362 175.800 -0.040 0.000 1.119 676 F CA -0.118 57.870 58.000 -0.020 0.000 1.007 676 F CB 1.406 40.322 39.000 -0.141 0.000 1.194 676 F HN 0.783 nan 8.300 nan 0.000 0.443 677 A N 2.566 125.450 122.820 0.107 0.000 2.346 677 A HA 0.803 5.120 4.320 -0.005 0.000 0.313 677 A C 0.563 178.177 177.584 0.050 0.000 1.140 677 A CA -1.149 50.926 52.037 0.062 0.000 0.826 677 A CB 0.884 19.909 19.000 0.042 0.000 1.332 677 A HN 0.846 nan 8.150 nan 0.000 0.457 678 R N -1.501 119.024 120.500 0.042 0.000 3.322 678 R HA -0.150 4.187 4.340 -0.005 0.000 0.253 678 R C -0.309 176.020 176.300 0.048 0.000 0.987 678 R CA 0.705 56.832 56.100 0.045 0.000 0.666 678 R CB -2.069 28.262 30.300 0.052 0.000 1.072 678 R HN 1.496 nan 8.270 nan 0.000 0.447 679 V N -2.383 117.557 119.914 0.043 0.000 2.850 679 V HA 0.619 4.736 4.120 -0.005 0.000 0.315 679 V C 0.513 176.723 176.094 0.195 0.000 1.064 679 V CA -0.809 61.543 62.300 0.086 0.000 0.979 679 V CB 2.019 33.813 31.823 -0.049 0.000 1.039 679 V HN 0.254 nan 8.190 nan 0.000 0.452 680 E N 3.155 123.591 120.200 0.393 0.000 2.280 680 E HA 0.365 4.712 4.350 -0.005 0.000 0.261 680 E C -1.882 174.736 176.600 0.029 0.000 1.088 680 E CA -1.844 54.618 56.400 0.103 0.000 0.915 680 E CB 1.318 31.003 29.700 -0.025 0.000 1.141 680 E HN 0.567 nan 8.360 nan 0.000 0.433 681 P HA -0.211 nan 4.420 nan 0.000 0.216 681 P C 1.305 178.567 177.300 -0.063 0.000 1.150 681 P CA 1.535 64.609 63.100 -0.044 0.000 0.837 681 P CB 0.028 31.694 31.700 -0.057 0.000 0.786 682 S N -2.006 113.630 115.700 -0.106 0.000 2.453 682 S HA -0.177 4.290 4.470 -0.005 0.000 0.231 682 S C 1.842 176.368 174.600 -0.124 0.000 1.005 682 S CA 0.796 58.918 58.200 -0.131 0.000 0.949 682 S CB -1.633 61.466 63.200 -0.168 0.000 0.774 682 S HN 0.258 nan 8.310 nan 0.000 0.510 683 H N 1.568 120.582 119.070 -0.093 0.000 2.353 683 H HA 0.071 4.624 4.556 -0.005 0.000 0.300 683 H C 2.272 177.467 175.328 -0.222 0.000 1.090 683 H CA 1.609 57.569 56.048 -0.146 0.000 1.327 683 H CB 0.062 29.742 29.762 -0.137 0.000 1.383 683 H HN 0.387 nan 8.280 nan 0.000 0.508 684 K N 0.055 120.434 120.400 -0.036 0.000 2.026 684 K HA -0.104 4.213 4.320 -0.005 0.000 0.208 684 K C 2.448 178.981 176.600 -0.112 0.000 1.048 684 K CA 1.385 57.615 56.287 -0.096 0.000 0.929 684 K CB -0.116 32.350 32.500 -0.056 0.000 0.713 684 K HN 0.092 nan 8.250 nan 0.000 0.439 685 S N 1.163 116.805 115.700 -0.095 0.000 2.368 685 S HA -0.156 4.311 4.470 -0.005 0.000 0.225 685 S C 1.909 176.425 174.600 -0.141 0.000 1.030 685 S CA 1.303 59.442 58.200 -0.102 0.000 0.999 685 S CB -0.081 63.063 63.200 -0.093 0.000 0.844 685 S HN 0.269 nan 8.310 nan 0.000 0.459 686 K N 0.726 121.027 120.400 -0.165 0.000 2.026 686 K HA -0.054 4.264 4.320 -0.005 0.000 0.208 686 K C 1.916 178.326 176.600 -0.317 0.000 1.048 686 K CA 1.197 57.327 56.287 -0.261 0.000 0.929 686 K CB -0.167 32.230 32.500 -0.170 0.000 0.713 686 K HN 0.197 nan 8.250 nan 0.000 0.439 687 I N 1.039 121.463 120.570 -0.243 0.000 2.163 687 I HA -0.243 3.924 4.170 -0.005 0.000 0.243 687 I C 2.326 178.395 176.117 -0.081 0.000 1.085 687 I CA 1.147 62.322 61.300 -0.208 0.000 1.347 687 I CB -0.980 36.746 38.000 -0.457 0.000 1.044 687 I HN 0.036 nan 8.210 nan 0.000 0.408 688 V N 0.761 120.616 119.914 -0.098 0.000 2.287 688 V HA -0.297 3.820 4.120 -0.005 0.000 0.248 688 V C 2.585 178.669 176.094 -0.017 0.000 1.053 688 V CA 2.058 64.332 62.300 -0.043 0.000 1.027 688 V CB -0.683 31.107 31.823 -0.054 0.000 0.646 688 V HN 0.451 nan 8.190 nan 0.000 0.447 689 E N -0.972 119.182 120.200 -0.077 0.000 2.085 689 E HA -0.244 4.103 4.350 -0.005 0.000 0.194 689 E C 2.172 178.786 176.600 0.023 0.000 0.994 689 E CA 1.744 58.097 56.400 -0.078 0.000 0.801 689 E CB -0.263 29.327 29.700 -0.184 0.000 0.743 689 E HN 0.755 nan 8.360 nan 0.000 0.453 690 Y N -0.304 120.017 120.300 0.036 0.000 2.145 690 Y HA -0.255 4.292 4.550 -0.005 0.000 0.286 690 Y C 2.296 178.297 175.900 0.169 0.000 1.145 690 Y CA 0.208 58.358 58.100 0.084 0.000 1.148 690 Y CB 0.024 38.563 38.460 0.131 0.000 0.981 690 Y HN 0.149 nan 8.280 nan 0.000 0.507 691 L N 0.442 121.857 121.223 0.321 0.000 2.013 691 L HA -0.310 4.028 4.340 -0.005 0.000 0.212 691 L C 2.228 179.241 176.870 0.238 0.000 1.073 691 L CA 1.810 56.811 54.840 0.268 0.000 0.753 691 L CB -1.377 40.762 42.059 0.134 0.000 0.890 691 L HN 0.344 nan 8.230 nan 0.000 0.432 692 Q N -1.131 118.752 119.800 0.138 0.000 2.291 692 Q HA -0.146 4.191 4.340 -0.005 0.000 0.206 692 Q C 2.145 178.187 176.000 0.071 0.000 0.976 692 Q CA 1.440 57.292 55.803 0.082 0.000 0.875 692 Q CB -0.205 28.552 28.738 0.033 0.000 0.927 692 Q HN 0.674 nan 8.270 nan 0.000 0.450 693 S N -0.769 114.972 115.700 0.068 0.000 2.515 693 S HA -0.109 4.358 4.470 -0.005 0.000 0.231 693 S C 1.077 175.590 174.600 -0.145 0.000 0.987 693 S CA 0.512 58.682 58.200 -0.050 0.000 0.936 693 S CB -0.148 63.002 63.200 -0.083 0.000 0.766 693 S HN 0.405 nan 8.310 nan 0.000 0.528 694 Y N 1.519 121.845 120.300 0.043 0.000 2.524 694 Y HA 0.277 4.824 4.550 -0.005 0.000 0.266 694 Y C -0.091 175.819 175.900 0.017 0.000 1.180 694 Y CA -0.514 57.602 58.100 0.027 0.000 1.244 694 Y CB 0.058 38.535 38.460 0.029 0.000 1.125 694 Y HN 0.119 nan 8.280 nan 0.000 0.524 695 D N 1.499 121.972 120.400 0.122 0.000 2.718 695 D HA -0.197 4.440 4.640 -0.005 0.000 0.242 695 D C -0.633 175.709 176.300 0.070 0.000 1.123 695 D CA 0.777 54.819 54.000 0.071 0.000 0.690 695 D CB -1.024 39.808 40.800 0.053 0.000 1.059 695 D HN 0.510 nan 8.370 nan 0.000 0.429 696 E N -0.046 120.202 120.200 0.081 0.000 2.176 696 E HA 0.414 4.761 4.350 -0.005 0.000 0.267 696 E C 0.198 176.813 176.600 0.025 0.000 0.893 696 E CA -1.083 55.348 56.400 0.053 0.000 0.761 696 E CB 1.354 31.096 29.700 0.071 0.000 1.133 696 E HN 0.038 nan 8.360 nan 0.000 0.409 697 I N 2.921 123.489 120.570 -0.003 0.000 2.421 697 I HA -0.007 4.160 4.170 -0.005 0.000 0.291 697 I C 0.806 176.912 176.117 -0.018 0.000 1.089 697 I CA 0.458 61.745 61.300 -0.021 0.000 1.354 697 I CB 0.282 38.253 38.000 -0.049 0.000 1.413 697 I HN 0.358 nan 8.210 nan 0.000 0.513 698 T N 3.643 118.190 114.554 -0.013 0.000 2.888 698 T HA 0.913 5.260 4.350 -0.005 0.000 0.284 698 T C -0.380 174.305 174.700 -0.025 0.000 1.017 698 T CA -0.775 61.319 62.100 -0.011 0.000 1.022 698 T CB 1.729 70.600 68.868 0.004 0.000 1.013 698 T HN 0.627 nan 8.240 nan 0.000 0.465 699 A N 3.012 125.816 122.820 -0.027 0.000 2.356 699 A HA 0.880 5.197 4.320 -0.005 0.000 0.323 699 A C -0.582 176.986 177.584 -0.027 0.000 1.119 699 A CA -1.068 50.947 52.037 -0.038 0.000 0.790 699 A CB 1.652 20.619 19.000 -0.055 0.000 1.273 699 A HN 0.997 nan 8.150 nan 0.000 0.452 700 M N 0.911 120.492 119.600 -0.031 0.000 2.457 700 M HA 0.644 5.121 4.480 -0.005 0.000 0.300 700 M C -1.188 175.101 176.300 -0.019 0.000 1.141 700 M CA 0.066 55.355 55.300 -0.018 0.000 0.901 700 M CB 2.210 34.796 32.600 -0.023 0.000 1.687 700 M HN 0.542 nan 8.290 nan 0.000 0.449 701 T N 3.102 117.662 114.554 0.010 0.000 2.841 701 T HA 0.902 5.249 4.350 -0.005 0.000 0.285 701 T C -0.363 174.362 174.700 0.042 0.000 0.991 701 T CA -0.614 61.500 62.100 0.024 0.000 0.966 701 T CB 1.371 70.283 68.868 0.074 0.000 0.962 701 T HN 0.928 nan 8.240 nan 0.000 0.438 702 G N 0.992 109.807 108.800 0.024 0.000 2.645 702 G HA2 0.617 4.574 3.960 -0.005 0.000 0.292 702 G HA3 0.617 4.574 3.960 -0.005 0.000 0.292 702 G C -0.641 174.268 174.900 0.015 0.000 1.415 702 G CA -0.666 44.446 45.100 0.021 0.000 0.785 702 G HN 0.576 nan 8.290 nan 0.000 0.483 703 D N -1.721 118.685 120.400 0.010 0.000 2.218 703 D HA 0.170 4.807 4.640 -0.005 0.000 0.307 703 D C 1.035 177.335 176.300 0.001 0.000 1.086 703 D CA 0.690 54.695 54.000 0.008 0.000 0.886 703 D CB 0.353 41.161 40.800 0.013 0.000 1.645 703 D HN 0.779 nan 8.370 nan 0.000 0.523 704 G N 1.026 109.825 108.800 -0.002 0.000 2.488 704 G HA2 0.419 4.376 3.960 -0.005 0.000 0.318 704 G HA3 0.419 4.376 3.960 -0.005 0.000 0.318 704 G C 1.156 176.047 174.900 -0.015 0.000 1.188 704 G CA -0.257 44.839 45.100 -0.008 0.000 0.944 704 G HN -0.061 nan 8.290 nan 0.000 0.495 705 V N 1.272 121.174 119.914 -0.020 0.000 2.324 705 V HA -0.235 3.882 4.120 -0.005 0.000 0.250 705 V C 2.734 178.808 176.094 -0.034 0.000 1.060 705 V CA 2.235 64.519 62.300 -0.026 0.000 1.042 705 V CB -0.608 31.196 31.823 -0.032 0.000 0.650 705 V HN 0.878 nan 8.190 nan 0.000 0.450 706 N N -0.253 118.425 118.700 -0.038 0.000 2.609 706 N HA -0.156 4.581 4.740 -0.005 0.000 0.190 706 N C 0.952 176.444 175.510 -0.031 0.000 1.157 706 N CA 1.352 54.378 53.050 -0.040 0.000 0.918 706 N CB -0.441 38.022 38.487 -0.040 0.000 0.978 706 N HN 0.490 nan 8.380 nan 0.000 0.448 707 D N 0.155 120.540 120.400 -0.026 0.000 2.388 707 D HA 0.200 4.837 4.640 -0.005 0.000 0.208 707 D C 1.812 178.095 176.300 -0.027 0.000 1.035 707 D CA 0.539 54.526 54.000 -0.023 0.000 0.875 707 D CB 0.057 40.849 40.800 -0.013 0.000 0.984 707 D HN 0.285 nan 8.370 nan 0.000 0.508 708 A N 2.637 125.440 122.820 -0.028 0.000 1.870 708 A HA -0.192 4.125 4.320 -0.005 0.000 0.219 708 A C -0.269 177.294 177.584 -0.034 0.000 1.224 708 A CA 1.945 53.965 52.037 -0.029 0.000 0.650 708 A CB -1.732 17.251 19.000 -0.028 0.000 0.836 708 A HN 0.183 nan 8.150 nan 0.000 0.454 709 P HA -0.144 nan 4.420 nan 0.000 0.215 709 P C 1.664 178.936 177.300 -0.046 0.000 1.157 709 P CA 2.184 65.258 63.100 -0.044 0.000 0.868 709 P CB -0.287 31.383 31.700 -0.050 0.000 0.788 710 A N -0.425 122.367 122.820 -0.047 0.000 1.902 710 A HA -0.136 4.181 4.320 -0.005 0.000 0.217 710 A C 2.370 179.930 177.584 -0.041 0.000 1.181 710 A CA 1.310 53.318 52.037 -0.048 0.000 0.623 710 A CB -1.670 17.302 19.000 -0.048 0.000 0.818 710 A HN 0.107 nan 8.150 nan 0.000 0.443 711 L N -0.772 120.430 121.223 -0.035 0.000 2.042 711 L HA -0.228 4.109 4.340 -0.005 0.000 0.210 711 L C 2.654 179.502 176.870 -0.036 0.000 1.076 711 L CA 2.051 56.871 54.840 -0.033 0.000 0.749 711 L CB -0.327 41.714 42.059 -0.030 0.000 0.893 711 L HN 0.480 nan 8.230 nan 0.000 0.432 712 K N 0.564 120.942 120.400 -0.036 0.000 2.062 712 K HA -0.230 4.087 4.320 -0.005 0.000 0.205 712 K C 2.213 178.791 176.600 -0.037 0.000 1.051 712 K CA 1.387 57.653 56.287 -0.036 0.000 0.941 712 K CB 0.066 32.546 32.500 -0.034 0.000 0.719 712 K HN 0.001 nan 8.250 nan 0.000 0.440 713 K N 0.632 121.007 120.400 -0.040 0.000 2.148 713 K HA -0.006 4.311 4.320 -0.005 0.000 0.204 713 K C 0.131 176.708 176.600 -0.038 0.000 1.050 713 K CA 0.836 57.098 56.287 -0.042 0.000 0.942 713 K CB -0.170 32.300 32.500 -0.050 0.000 0.724 713 K HN 0.229 nan 8.250 nan 0.000 0.446 714 A N 1.151 123.949 122.820 -0.037 0.000 2.462 714 A HA 0.039 4.356 4.320 -0.005 0.000 0.243 714 A C 0.558 178.121 177.584 -0.036 0.000 1.076 714 A CA -0.177 51.840 52.037 -0.034 0.000 0.773 714 A CB 0.330 19.309 19.000 -0.035 0.000 1.010 714 A HN 0.426 nan 8.150 nan 0.000 0.493 715 E N 0.254 120.433 120.200 -0.035 0.000 2.160 715 E HA -0.117 4.230 4.350 -0.005 0.000 0.195 715 E C -0.402 176.171 176.600 -0.046 0.000 0.991 715 E CA 1.446 57.822 56.400 -0.040 0.000 0.810 715 E CB -0.178 29.497 29.700 -0.042 0.000 0.742 715 E HN 0.600 nan 8.360 nan 0.000 0.466 716 I N -0.413 120.129 120.570 -0.048 0.000 2.497 716 I HA 0.325 4.492 4.170 -0.005 0.000 0.284 716 I C 0.033 176.118 176.117 -0.053 0.000 1.060 716 I CA -0.473 60.794 61.300 -0.054 0.000 1.071 716 I CB 2.070 40.032 38.000 -0.064 0.000 1.216 716 I HN -0.148 nan 8.210 nan 0.000 0.442 717 G N 6.328 115.097 108.800 -0.051 0.000 2.338 717 G HA2 0.691 4.648 3.960 -0.005 0.000 0.298 717 G HA3 0.691 4.648 3.960 -0.005 0.000 0.298 717 G C -0.781 174.087 174.900 -0.054 0.000 1.140 717 G CA -0.219 44.852 45.100 -0.047 0.000 0.860 717 G HN 0.362 nan 8.290 nan 0.000 0.470 718 I N 1.838 122.374 120.570 -0.056 0.000 2.411 718 I HA 0.518 4.685 4.170 -0.005 0.000 0.284 718 I C 0.395 176.484 176.117 -0.046 0.000 1.012 718 I CA -0.640 60.620 61.300 -0.067 0.000 1.119 718 I CB 1.885 39.822 38.000 -0.105 0.000 1.261 718 I HN 0.571 nan 8.210 nan 0.000 0.448 719 A N 6.975 129.771 122.820 -0.039 0.000 2.324 719 A HA 0.846 5.163 4.320 -0.005 0.000 0.330 719 A C -0.100 177.473 177.584 -0.017 0.000 1.165 719 A CA -0.732 51.291 52.037 -0.023 0.000 0.813 719 A CB 0.839 19.825 19.000 -0.023 0.000 1.197 719 A HN 0.544 nan 8.150 nan 0.000 0.484 720 M N 2.201 121.801 119.600 -0.000 0.000 2.239 720 M HA 0.113 4.590 4.480 -0.005 0.000 0.348 720 M C 1.607 177.907 176.300 -0.000 0.000 1.239 720 M CA 0.181 55.486 55.300 0.009 0.000 1.114 720 M CB 0.328 32.943 32.600 0.025 0.000 1.641 720 M HN 0.929 nan 8.290 nan 0.000 0.453 721 G N 1.627 110.426 108.800 -0.002 0.000 2.462 721 G HA2 -0.162 3.795 3.960 -0.005 0.000 0.220 721 G HA3 -0.162 3.795 3.960 -0.005 0.000 0.220 721 G C 1.116 176.014 174.900 -0.002 0.000 1.121 721 G CA 1.095 46.191 45.100 -0.007 0.000 0.758 721 G HN 0.755 nan 8.290 nan 0.000 0.559 722 S N -0.105 115.598 115.700 0.005 0.000 2.582 722 S HA 0.503 4.970 4.470 -0.005 0.000 0.234 722 S C 1.101 175.707 174.600 0.010 0.000 0.961 722 S CA 0.043 58.247 58.200 0.008 0.000 0.953 722 S CB 0.571 63.779 63.200 0.013 0.000 0.800 722 S HN 0.452 nan 8.310 nan 0.000 0.471 723 G N 1.682 110.486 108.800 0.007 0.000 2.525 723 G HA2 0.491 4.448 3.960 -0.005 0.000 0.287 723 G HA3 0.491 4.448 3.960 -0.005 0.000 0.287 723 G C 0.144 175.047 174.900 0.004 0.000 1.350 723 G CA -0.189 44.915 45.100 0.006 0.000 1.039 723 G HN 0.455 nan 8.290 nan 0.000 0.513 724 T N -3.023 111.533 114.554 0.002 0.000 2.813 724 T HA 0.435 4.782 4.350 -0.005 0.000 0.297 724 T C 1.644 176.342 174.700 -0.002 0.000 1.036 724 T CA 0.435 62.536 62.100 0.002 0.000 1.044 724 T CB 1.298 70.166 68.868 -0.000 0.000 0.993 724 T HN 0.853 nan 8.240 nan 0.000 0.535 725 A N 1.153 123.972 122.820 -0.001 0.000 1.930 725 A HA 0.052 4.369 4.320 -0.005 0.000 0.217 725 A C 2.438 180.017 177.584 -0.008 0.000 1.175 725 A CA 1.668 53.703 52.037 -0.003 0.000 0.627 725 A CB -1.354 17.646 19.000 0.000 0.000 0.815 725 A HN 0.958 nan 8.150 nan 0.000 0.443 726 V N -0.913 118.996 119.914 -0.008 0.000 2.220 726 V HA -0.237 3.880 4.120 -0.005 0.000 0.246 726 V C 2.822 178.906 176.094 -0.016 0.000 1.049 726 V CA 1.968 64.261 62.300 -0.012 0.000 1.003 726 V CB -1.940 29.875 31.823 -0.013 0.000 0.634 726 V HN 0.530 nan 8.190 nan 0.000 0.444 727 A N 0.445 123.256 122.820 -0.015 0.000 1.958 727 A HA -0.300 4.017 4.320 -0.005 0.000 0.221 727 A C 2.331 179.903 177.584 -0.021 0.000 1.178 727 A CA 2.634 54.661 52.037 -0.017 0.000 0.642 727 A CB -0.646 18.346 19.000 -0.013 0.000 0.816 727 A HN 0.671 nan 8.150 nan 0.000 0.453 728 K N -1.025 119.363 120.400 -0.019 0.000 2.025 728 K HA -0.102 4.215 4.320 -0.005 0.000 0.207 728 K C 2.276 178.859 176.600 -0.028 0.000 1.049 728 K CA 1.715 57.988 56.287 -0.024 0.000 0.933 728 K CB -0.468 32.019 32.500 -0.022 0.000 0.714 728 K HN 0.739 nan 8.250 nan 0.000 0.438 729 T N -0.875 113.664 114.554 -0.025 0.000 2.962 729 T HA -0.030 4.317 4.350 -0.005 0.000 0.270 729 T C 1.813 176.496 174.700 -0.029 0.000 1.088 729 T CA 1.031 63.115 62.100 -0.027 0.000 1.127 729 T CB -0.085 68.770 68.868 -0.022 0.000 0.883 729 T HN 0.140 nan 8.240 nan 0.000 0.493 730 A N 0.498 123.301 122.820 -0.028 0.000 2.307 730 A HA 0.561 4.878 4.320 -0.005 0.000 0.218 730 A C 1.069 178.633 177.584 -0.034 0.000 1.228 730 A CA -0.451 51.568 52.037 -0.030 0.000 0.857 730 A CB 0.026 19.009 19.000 -0.028 0.000 0.897 730 A HN 0.455 nan 8.150 nan 0.000 0.495 731 S N -0.865 114.813 115.700 -0.036 0.000 2.607 731 S HA 0.426 4.893 4.470 -0.005 0.000 0.303 731 S C 0.213 174.785 174.600 -0.047 0.000 1.086 731 S CA -0.476 57.699 58.200 -0.041 0.000 0.995 731 S CB 1.671 64.846 63.200 -0.041 0.000 1.084 731 S HN 0.315 nan 8.310 nan 0.000 0.507 732 E N 0.661 120.830 120.200 -0.051 0.000 2.318 732 E HA 0.245 4.592 4.350 -0.005 0.000 0.193 732 E C 0.184 176.749 176.600 -0.059 0.000 0.998 732 E CA 0.491 56.858 56.400 -0.054 0.000 0.859 732 E CB 0.320 29.988 29.700 -0.055 0.000 0.812 732 E HN 0.501 nan 8.360 nan 0.000 0.492 733 M N 0.123 119.687 119.600 -0.060 0.000 2.501 733 M HA 0.440 4.917 4.480 -0.005 0.000 0.293 733 M C -1.820 174.444 176.300 -0.059 0.000 1.192 733 M CA -0.838 54.424 55.300 -0.063 0.000 0.886 733 M CB 2.054 34.611 32.600 -0.071 0.000 1.710 733 M HN -0.296 nan 8.290 nan 0.000 0.457 734 V N 5.090 124.970 119.914 -0.056 0.000 2.525 734 V HA 0.374 4.491 4.120 -0.005 0.000 0.299 734 V C -0.562 175.505 176.094 -0.046 0.000 1.034 734 V CA -0.636 61.635 62.300 -0.047 0.000 0.863 734 V CB 1.932 33.730 31.823 -0.042 0.000 0.999 734 V HN 0.803 nan 8.190 nan 0.000 0.423 735 L N 4.423 125.621 121.223 -0.042 0.000 2.387 735 L HA 0.307 4.644 4.340 -0.005 0.000 0.267 735 L C 1.813 178.671 176.870 -0.020 0.000 1.197 735 L CA -0.107 54.711 54.840 -0.036 0.000 1.070 735 L CB 0.348 42.386 42.059 -0.036 0.000 1.349 735 L HN 0.846 nan 8.230 nan 0.000 0.422 736 A N 1.048 123.855 122.820 -0.023 0.000 2.032 736 A HA -0.249 4.068 4.320 -0.005 0.000 0.221 736 A C 1.914 179.494 177.584 -0.008 0.000 1.165 736 A CA 2.068 54.094 52.037 -0.017 0.000 0.645 736 A CB -0.245 18.742 19.000 -0.022 0.000 0.807 736 A HN 0.691 nan 8.150 nan 0.000 0.453 737 D N -1.929 118.469 120.400 -0.005 0.000 2.346 737 D HA 0.054 4.691 4.640 -0.005 0.000 0.206 737 D C -0.092 176.217 176.300 0.016 0.000 1.001 737 D CA 0.636 54.639 54.000 0.006 0.000 0.871 737 D CB 0.021 40.823 40.800 0.004 0.000 0.943 737 D HN 0.272 nan 8.370 nan 0.000 0.518 738 D N -0.171 120.240 120.400 0.018 0.000 3.079 738 D HA -0.217 4.420 4.640 -0.005 0.000 0.214 738 D C -0.422 175.917 176.300 0.064 0.000 1.145 738 D CA 0.422 54.445 54.000 0.038 0.000 0.958 738 D CB -1.689 39.132 40.800 0.034 0.000 1.117 738 D HN 0.291 nan 8.370 nan 0.000 0.416 739 N N 0.268 118.996 118.700 0.046 0.000 2.402 739 N HA 0.074 4.811 4.740 -0.005 0.000 0.252 739 N C 0.694 176.251 175.510 0.079 0.000 1.118 739 N CA -0.129 52.959 53.050 0.063 0.000 0.945 739 N CB -0.148 38.358 38.487 0.032 0.000 1.147 739 N HN 0.038 nan 8.380 nan 0.000 0.495 740 F N 2.929 122.867 119.950 -0.020 0.000 2.269 740 F HA -0.178 4.346 4.527 -0.005 0.000 0.301 740 F C 2.371 178.158 175.800 -0.022 0.000 1.082 740 F CA 1.439 59.426 58.000 -0.023 0.000 1.360 740 F CB 0.091 39.076 39.000 -0.026 0.000 1.041 740 F HN 0.597 nan 8.300 nan 0.000 0.512 741 S N -2.047 113.730 115.700 0.127 0.000 2.481 741 S HA -0.131 4.336 4.470 -0.005 0.000 0.231 741 S C 1.815 176.396 174.600 -0.031 0.000 0.996 741 S CA 1.263 59.496 58.200 0.056 0.000 0.942 741 S CB -0.934 62.305 63.200 0.065 0.000 0.768 741 S HN 0.333 nan 8.310 nan 0.000 0.520 742 T N 2.672 117.193 114.554 -0.055 0.000 2.881 742 T HA 0.146 4.493 4.350 -0.005 0.000 0.270 742 T C 1.524 176.155 174.700 -0.116 0.000 1.068 742 T CA 1.166 63.224 62.100 -0.069 0.000 1.131 742 T CB -0.456 68.375 68.868 -0.061 0.000 0.871 742 T HN 0.453 nan 8.240 nan 0.000 0.479 743 I N 0.649 121.098 120.570 -0.203 0.000 2.286 743 I HA -0.144 4.023 4.170 -0.005 0.000 0.248 743 I C 2.349 178.370 176.117 -0.160 0.000 1.115 743 I CA 0.914 62.066 61.300 -0.247 0.000 1.392 743 I CB -0.327 37.391 38.000 -0.471 0.000 1.065 743 I HN 0.104 nan 8.210 nan 0.000 0.418 744 V N 0.848 120.689 119.914 -0.122 0.000 2.427 744 V HA -0.227 3.890 4.120 -0.005 0.000 0.248 744 V C 2.664 178.728 176.094 -0.050 0.000 1.051 744 V CA 1.808 64.069 62.300 -0.065 0.000 1.048 744 V CB -0.880 30.927 31.823 -0.027 0.000 0.666 744 V HN 0.476 nan 8.190 nan 0.000 0.456 745 A N 0.078 122.869 122.820 -0.048 0.000 1.930 745 A HA -0.064 4.253 4.320 -0.005 0.000 0.217 745 A C 2.411 179.970 177.584 -0.042 0.000 1.175 745 A CA 1.888 53.904 52.037 -0.035 0.000 0.627 745 A CB -0.657 18.325 19.000 -0.029 0.000 0.815 745 A HN 0.544 nan 8.150 nan 0.000 0.443 746 A N -0.599 122.184 122.820 -0.060 0.000 1.930 746 A HA 0.028 4.345 4.320 -0.005 0.000 0.217 746 A C 2.212 179.760 177.584 -0.060 0.000 1.175 746 A CA 1.696 53.695 52.037 -0.063 0.000 0.627 746 A CB -0.820 18.131 19.000 -0.082 0.000 0.815 746 A HN 0.352 nan 8.150 nan 0.000 0.443 747 V N -0.023 119.852 119.914 -0.065 0.000 2.358 747 V HA -0.265 3.852 4.120 -0.005 0.000 0.246 747 V C 2.524 178.592 176.094 -0.043 0.000 1.047 747 V CA 2.324 64.589 62.300 -0.060 0.000 1.035 747 V CB -0.653 31.134 31.823 -0.060 0.000 0.658 747 V HN 0.799 nan 8.190 nan 0.000 0.452 748 E N 0.205 120.385 120.200 -0.034 0.000 2.038 748 E HA -0.319 4.028 4.350 -0.005 0.000 0.195 748 E C 2.188 178.778 176.600 -0.016 0.000 1.000 748 E CA 1.905 58.293 56.400 -0.021 0.000 0.803 748 E CB -0.090 29.600 29.700 -0.015 0.000 0.750 748 E HN 0.663 nan 8.360 nan 0.000 0.448 749 E N -0.388 119.800 120.200 -0.021 0.000 2.072 749 E HA -0.098 4.249 4.350 -0.005 0.000 0.191 749 E C 1.949 178.540 176.600 -0.015 0.000 0.985 749 E CA 1.500 57.889 56.400 -0.017 0.000 0.801 749 E CB -0.615 29.072 29.700 -0.021 0.000 0.750 749 E HN 0.352 nan 8.360 nan 0.000 0.452 750 G N 0.020 108.804 108.800 -0.026 0.000 2.479 750 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.220 750 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.220 750 G C 1.657 176.549 174.900 -0.012 0.000 1.115 750 G CA 0.761 45.843 45.100 -0.030 0.000 0.757 750 G HN 0.157 nan 8.290 nan 0.000 0.560 751 R N -0.252 120.246 120.500 -0.004 0.000 2.090 751 R HA 0.236 4.573 4.340 -0.005 0.000 0.219 751 R C 3.033 179.374 176.300 0.068 0.000 1.100 751 R CA 0.808 56.926 56.100 0.030 0.000 0.991 751 R CB -0.172 30.133 30.300 0.008 0.000 0.893 751 R HN 0.301 nan 8.270 nan 0.000 0.443 752 A N 1.466 124.301 122.820 0.025 0.000 1.898 752 A HA -0.123 4.194 4.320 -0.005 0.000 0.216 752 A C 2.015 179.592 177.584 -0.011 0.000 1.181 752 A CA 0.987 53.026 52.037 0.003 0.000 0.620 752 A CB -0.358 18.636 19.000 -0.010 0.000 0.819 752 A HN 0.096 nan 8.150 nan 0.000 0.442 753 I N -1.339 119.234 120.570 0.004 0.000 2.127 753 I HA -0.252 3.915 4.170 -0.005 0.000 0.241 753 I C 2.332 178.446 176.117 -0.005 0.000 1.075 753 I CA 1.677 62.975 61.300 -0.004 0.000 1.334 753 I CB -1.423 36.588 38.000 0.018 0.000 1.040 753 I HN 0.529 nan 8.210 nan 0.000 0.405 754 Y N 2.760 122.999 120.300 -0.102 0.000 1.979 754 Y HA -0.358 4.190 4.550 -0.005 0.000 0.262 754 Y C 2.581 178.371 175.900 -0.183 0.000 1.142 754 Y CA 2.097 60.121 58.100 -0.127 0.000 1.096 754 Y CB -0.986 37.416 38.460 -0.096 0.000 0.958 754 Y HN 0.250 nan 8.280 nan 0.000 0.484 755 N N 0.685 119.227 118.700 -0.262 0.000 2.049 755 N HA -0.252 4.485 4.740 -0.005 0.000 0.198 755 N C 1.372 176.644 175.510 -0.397 0.000 1.030 755 N CA 1.859 54.693 53.050 -0.359 0.000 0.870 755 N CB -0.861 37.540 38.487 -0.143 0.000 1.045 755 N HN 0.507 nan 8.380 nan 0.000 0.434 756 N N 0.498 119.013 118.700 -0.308 0.000 2.453 756 N HA -0.083 4.654 4.740 -0.005 0.000 0.183 756 N C 1.652 176.754 175.510 -0.680 0.000 1.041 756 N CA 0.290 53.137 53.050 -0.338 0.000 0.900 756 N CB -0.143 38.226 38.487 -0.197 0.000 0.961 756 N HN 0.379 nan 8.380 nan 0.000 0.443 757 M N 1.218 120.350 119.600 -0.779 0.000 2.160 757 M HA -0.117 4.360 4.480 -0.005 0.000 0.264 757 M C 1.844 177.352 176.300 -1.319 0.000 1.073 757 M CA 1.241 55.746 55.300 -1.326 0.000 1.142 757 M CB -0.062 32.230 32.600 -0.513 0.000 1.358 757 M HN 0.045 nan 8.290 nan 0.000 0.422 758 K N -0.679 119.211 120.400 -0.849 0.000 2.362 758 K HA -0.131 4.186 4.320 -0.005 0.000 0.200 758 K C 1.606 177.881 176.600 -0.543 0.000 1.046 758 K CA 0.886 56.791 56.287 -0.637 0.000 0.952 758 K CB -0.105 32.044 32.500 -0.585 0.000 0.753 758 K HN 0.315 nan 8.250 nan 0.000 0.466 759 Q N 1.003 120.445 119.800 -0.596 0.000 1.969 759 Q HA -0.103 4.234 4.340 -0.005 0.000 0.198 759 Q C 2.050 177.895 176.000 -0.258 0.000 0.978 759 Q CA 1.682 57.258 55.803 -0.378 0.000 0.830 759 Q CB -0.502 28.046 28.738 -0.317 0.000 0.896 759 Q HN 0.652 nan 8.270 nan 0.000 0.431 760 F N -0.267 119.613 119.950 -0.116 0.000 2.664 760 F HA 0.039 4.563 4.527 -0.005 0.000 0.297 760 F C 1.675 177.470 175.800 -0.010 0.000 1.164 760 F CA 0.198 58.170 58.000 -0.047 0.000 1.472 760 F CB -1.053 37.900 39.000 -0.077 0.000 1.108 760 F HN -0.042 nan 8.300 nan 0.000 0.596 761 I N -0.016 120.595 120.570 0.069 0.000 2.585 761 I HA -0.030 4.137 4.170 -0.005 0.000 0.254 761 I C 2.401 178.455 176.117 -0.105 0.000 1.129 761 I CA 0.354 61.683 61.300 0.048 0.000 1.455 761 I CB -0.388 37.539 38.000 -0.122 0.000 1.111 761 I HN -0.052 nan 8.210 nan 0.000 0.433 762 R N 0.778 121.092 120.500 -0.310 0.000 2.151 762 R HA -0.246 4.091 4.340 -0.005 0.000 0.220 762 R C 2.439 178.446 176.300 -0.488 0.000 1.120 762 R CA 2.421 58.048 56.100 -0.789 0.000 0.882 762 R CB -1.216 28.399 30.300 -1.143 0.000 0.806 762 R HN 0.281 nan 8.270 nan 0.000 0.440 763 Y N 1.604 121.747 120.300 -0.262 0.000 2.096 763 Y HA -0.345 4.202 4.550 -0.005 0.000 0.276 763 Y C 2.121 178.037 175.900 0.027 0.000 1.209 763 Y CA 1.880 60.010 58.100 0.049 0.000 1.137 763 Y CB -0.493 38.011 38.460 0.074 0.000 0.956 763 Y HN 0.126 nan 8.280 nan 0.000 0.506 764 L N 0.179 121.415 121.223 0.021 0.000 1.955 764 L HA -0.239 4.098 4.340 -0.005 0.000 0.213 764 L C 2.480 179.272 176.870 -0.130 0.000 1.072 764 L CA 1.946 56.729 54.840 -0.096 0.000 0.755 764 L CB -0.988 41.148 42.059 0.128 0.000 0.888 764 L HN 0.497 nan 8.230 nan 0.000 0.432 765 I N -1.021 119.527 120.570 -0.038 0.000 2.423 765 I HA -0.314 3.853 4.170 -0.005 0.000 0.254 765 I C 2.553 178.645 176.117 -0.041 0.000 1.151 765 I CA 1.663 62.956 61.300 -0.011 0.000 1.421 765 I CB -0.672 37.367 38.000 0.066 0.000 1.079 765 I HN 0.479 nan 8.210 nan 0.000 0.431 766 S N 0.860 116.524 115.700 -0.060 0.000 2.408 766 S HA -0.325 4.142 4.470 -0.005 0.000 0.241 766 S C 2.302 176.871 174.600 -0.052 0.000 1.080 766 S CA 2.936 61.127 58.200 -0.016 0.000 1.109 766 S CB -0.458 62.731 63.200 -0.018 0.000 0.966 766 S HN 0.807 nan 8.310 nan 0.000 0.449 767 S N 1.186 116.828 115.700 -0.097 0.000 2.359 767 S HA -0.195 4.272 4.470 -0.005 0.000 0.224 767 S C 1.557 176.135 174.600 -0.037 0.000 1.035 767 S CA 1.802 59.958 58.200 -0.073 0.000 1.018 767 S CB -1.203 61.943 63.200 -0.090 0.000 0.876 767 S HN 0.766 nan 8.310 nan 0.000 0.448 768 N N 1.335 120.015 118.700 -0.034 0.000 2.149 768 N HA -0.074 4.663 4.740 -0.005 0.000 0.188 768 N C 1.683 177.183 175.510 -0.016 0.000 1.019 768 N CA 1.521 54.558 53.050 -0.021 0.000 0.857 768 N CB -0.488 37.984 38.487 -0.025 0.000 0.997 768 N HN 0.367 nan 8.380 nan 0.000 0.426 769 V N 0.400 120.303 119.914 -0.019 0.000 2.244 769 V HA -0.116 4.001 4.120 -0.005 0.000 0.244 769 V C 2.498 178.586 176.094 -0.010 0.000 1.042 769 V CA 2.094 64.382 62.300 -0.020 0.000 1.006 769 V CB -1.432 30.366 31.823 -0.041 0.000 0.641 769 V HN 0.388 nan 8.190 nan 0.000 0.446 770 G N -0.603 108.190 108.800 -0.012 0.000 2.469 770 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.220 770 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.220 770 G C 1.481 176.386 174.900 0.009 0.000 1.136 770 G CA 1.062 46.161 45.100 -0.001 0.000 0.759 770 G HN 0.594 nan 8.290 nan 0.000 0.562 771 E N -0.432 119.771 120.200 0.006 0.000 2.031 771 E HA -0.074 4.273 4.350 -0.005 0.000 0.193 771 E C 2.643 179.261 176.600 0.030 0.000 0.994 771 E CA 1.163 57.572 56.400 0.016 0.000 0.800 771 E CB -0.077 29.628 29.700 0.009 0.000 0.752 771 E HN 0.326 nan 8.360 nan 0.000 0.447 772 V N 0.675 120.606 119.914 0.028 0.000 3.129 772 V HA -0.108 4.009 4.120 -0.005 0.000 0.259 772 V C 2.082 178.232 176.094 0.092 0.000 1.116 772 V CA 0.572 62.901 62.300 0.047 0.000 1.127 772 V CB 0.350 32.185 31.823 0.019 0.000 0.742 772 V HN 0.112 nan 8.190 nan 0.000 0.474 773 V N -0.598 119.362 119.914 0.076 0.000 2.490 773 V HA -0.293 3.824 4.120 -0.005 0.000 0.250 773 V C 2.473 178.653 176.094 0.142 0.000 1.061 773 V CA 2.251 64.621 62.300 0.117 0.000 1.064 773 V CB -0.528 31.335 31.823 0.067 0.000 0.670 773 V HN 0.798 nan 8.190 nan 0.000 0.461 774 C N -0.077 119.278 119.300 0.091 0.000 2.500 774 C HA -0.032 4.425 4.460 -0.005 0.000 0.279 774 C C 2.514 177.551 174.990 0.078 0.000 1.288 774 C CA 0.489 59.550 59.018 0.072 0.000 1.710 774 C CB -0.811 26.958 27.740 0.049 0.000 2.052 774 C HN 0.492 nan 8.230 nan 0.000 0.488 775 I N 0.983 121.608 120.570 0.091 0.000 2.226 775 I HA -0.057 4.110 4.170 -0.005 0.000 0.245 775 I C 2.174 178.366 176.117 0.126 0.000 1.100 775 I CA 1.405 62.758 61.300 0.089 0.000 1.374 775 I CB -1.466 36.579 38.000 0.075 0.000 1.057 775 I HN 0.374 nan 8.210 nan 0.000 0.413 776 F N 0.835 120.792 119.950 0.012 0.000 2.186 776 F HA -0.117 4.407 4.527 -0.005 0.000 0.299 776 F C 2.223 178.039 175.800 0.026 0.000 1.090 776 F CA 1.421 59.430 58.000 0.015 0.000 1.307 776 F CB -0.354 38.655 39.000 0.014 0.000 1.019 776 F HN -0.055 nan 8.300 nan 0.000 0.489 777 L N -0.202 120.986 121.223 -0.059 0.000 2.141 777 L HA -0.181 4.156 4.340 -0.005 0.000 0.209 777 L C 2.417 179.198 176.870 -0.149 0.000 1.094 777 L CA 1.842 56.596 54.840 -0.144 0.000 0.763 777 L CB -1.108 40.955 42.059 0.007 0.000 0.908 777 L HN 0.336 nan 8.230 nan 0.000 0.437 778 T N -4.164 110.342 114.554 -0.080 0.000 3.051 778 T HA 0.178 4.525 4.350 -0.005 0.000 0.255 778 T C 1.690 176.378 174.700 -0.020 0.000 1.085 778 T CA 0.546 62.612 62.100 -0.057 0.000 1.109 778 T CB 0.283 69.135 68.868 -0.026 0.000 0.921 778 T HN 0.227 nan 8.240 nan 0.000 0.488 779 A N 1.828 124.627 122.820 -0.035 0.000 1.864 779 A HA 0.733 5.050 4.320 -0.005 0.000 0.213 779 A C 2.583 180.140 177.584 -0.045 0.000 1.266 779 A CA 0.848 52.906 52.037 0.035 0.000 0.612 779 A CB -1.191 17.848 19.000 0.064 0.000 0.940 779 A HN 0.658 nan 8.150 nan 0.000 0.463 780 A N -1.383 121.319 122.820 -0.196 0.000 2.208 780 A HA 0.426 4.743 4.320 -0.005 0.000 0.209 780 A C 1.836 179.258 177.584 -0.270 0.000 1.161 780 A CA 1.087 52.998 52.037 -0.211 0.000 0.782 780 A CB -0.293 18.557 19.000 -0.250 0.000 0.816 780 A HN 0.587 nan 8.150 nan 0.000 0.477 781 L N -3.344 117.694 121.223 -0.309 0.000 2.675 781 L HA 0.564 4.901 4.340 -0.005 0.000 0.178 781 L C 1.243 178.002 176.870 -0.185 0.000 1.135 781 L CA 0.970 55.672 54.840 -0.231 0.000 0.855 781 L CB 0.496 42.408 42.059 -0.244 0.000 1.235 781 L HN 0.337 nan 8.230 nan 0.000 0.499 782 G N -0.654 108.044 108.800 -0.171 0.000 3.218 782 G HA2 0.189 4.146 3.960 -0.005 0.000 0.143 782 G HA3 0.189 4.146 3.960 -0.005 0.000 0.143 782 G C -1.090 173.717 174.900 -0.156 0.000 1.220 782 G CA -0.234 44.740 45.100 -0.209 0.000 1.382 782 G HN 0.038 nan 8.290 nan 0.000 0.682 783 L N 2.965 124.036 121.223 -0.255 0.000 3.038 783 L HA 0.009 4.346 4.340 -0.005 0.000 0.378 783 L C -1.777 174.784 176.870 -0.515 0.000 1.257 783 L CA 0.384 55.008 54.840 -0.359 0.000 0.809 783 L CB -0.823 41.128 42.059 -0.179 0.000 1.026 783 L HN 0.254 nan 8.230 nan 0.000 0.639 784 P HA 0.043 nan 4.420 nan 0.000 0.271 784 P C -0.759 176.355 177.300 -0.310 0.000 1.244 784 P CA -0.468 61.969 63.100 -1.104 0.000 0.793 784 P CB 0.229 31.329 31.700 -1.000 0.000 0.984 785 E N -0.022 120.095 120.200 -0.138 0.000 2.493 785 E HA 0.091 4.438 4.350 -0.005 0.000 0.255 785 E C 0.750 177.382 176.600 0.054 0.000 0.999 785 E CA -0.014 56.394 56.400 0.013 0.000 0.934 785 E CB 0.081 29.821 29.700 0.067 0.000 0.940 785 E HN 0.392 nan 8.360 nan 0.000 0.473 786 A N 4.550 127.406 122.820 0.060 0.000 2.178 786 A HA 0.157 4.474 4.320 -0.005 0.000 0.211 786 A C 0.456 178.064 177.584 0.040 0.000 1.157 786 A CA 0.488 52.569 52.037 0.074 0.000 0.780 786 A CB 0.170 19.213 19.000 0.072 0.000 0.828 786 A HN 0.515 nan 8.150 nan 0.000 0.476 787 L N -0.823 120.427 121.223 0.046 0.000 2.612 787 L HA 0.471 4.808 4.340 -0.005 0.000 0.256 787 L C -1.103 175.803 176.870 0.061 0.000 0.949 787 L CA -0.791 54.078 54.840 0.049 0.000 0.867 787 L CB 2.069 44.155 42.059 0.045 0.000 1.417 787 L HN 0.324 nan 8.230 nan 0.000 0.414 788 I N -1.186 119.428 120.570 0.072 0.000 3.133 788 I HA 0.726 4.893 4.170 -0.005 0.000 0.311 788 I C -2.105 174.062 176.117 0.083 0.000 1.072 788 I CA -1.940 59.405 61.300 0.074 0.000 1.015 788 I CB 0.515 38.559 38.000 0.074 0.000 1.233 788 I HN 0.266 nan 8.210 nan 0.000 0.473 789 P HA -0.116 nan 4.420 nan 0.000 0.210 789 P C 1.226 178.588 177.300 0.104 0.000 1.189 789 P CA 1.223 64.367 63.100 0.073 0.000 0.920 789 P CB -0.112 31.620 31.700 0.053 0.000 0.782 790 V N 0.234 120.204 119.914 0.093 0.000 3.431 790 V HA -0.056 4.061 4.120 -0.005 0.000 0.303 790 V C 2.140 178.355 176.094 0.201 0.000 1.179 790 V CA 1.173 63.534 62.300 0.103 0.000 1.284 790 V CB -1.638 30.190 31.823 0.008 0.000 1.036 790 V HN 0.229 nan 8.190 nan 0.000 0.425 791 Q N -0.767 119.181 119.800 0.247 0.000 2.586 791 Q HA 0.230 4.567 4.340 -0.005 0.000 0.243 791 Q C 1.904 178.082 176.000 0.297 0.000 0.846 791 Q CA 0.025 56.030 55.803 0.336 0.000 0.959 791 Q CB 0.352 29.214 28.738 0.206 0.000 1.227 791 Q HN 0.558 nan 8.270 nan 0.000 0.611 792 L N 1.163 122.506 121.223 0.200 0.000 2.395 792 L HA -0.021 4.316 4.340 -0.005 0.000 0.218 792 L C 2.119 179.086 176.870 0.162 0.000 1.130 792 L CA 0.331 55.262 54.840 0.152 0.000 0.826 792 L CB -0.059 42.056 42.059 0.093 0.000 0.941 792 L HN 0.322 nan 8.230 nan 0.000 0.451 793 L N -0.754 120.590 121.223 0.201 0.000 2.005 793 L HA -0.248 4.089 4.340 -0.005 0.000 0.207 793 L C 2.475 179.473 176.870 0.214 0.000 1.072 793 L CA 1.664 56.608 54.840 0.173 0.000 0.744 793 L CB -0.671 41.493 42.059 0.175 0.000 0.895 793 L HN 0.580 nan 8.230 nan 0.000 0.433 794 W N 1.130 122.552 121.300 0.204 0.000 2.350 794 W HA -0.183 4.474 4.660 -0.005 0.000 0.289 794 W C 1.940 178.503 176.519 0.074 0.000 1.215 794 W CA 1.883 59.333 57.345 0.175 0.000 1.236 794 W CB -0.297 29.274 29.460 0.185 0.000 1.130 794 W HN -0.021 nan 8.180 nan 0.000 0.541 795 V N 1.640 121.728 119.914 0.289 0.000 2.216 795 V HA -0.352 3.765 4.120 -0.005 0.000 0.242 795 V C 2.161 178.264 176.094 0.015 0.000 1.042 795 V CA 2.466 64.866 62.300 0.167 0.000 0.991 795 V CB -1.627 30.279 31.823 0.137 0.000 0.633 795 V HN 0.016 nan 8.190 nan 0.000 0.449 796 N N 0.124 118.831 118.700 0.012 0.000 2.091 796 N HA -0.163 4.574 4.740 -0.005 0.000 0.193 796 N C 1.712 177.184 175.510 -0.064 0.000 1.021 796 N CA 1.544 54.578 53.050 -0.027 0.000 0.862 796 N CB -0.443 38.036 38.487 -0.013 0.000 1.018 796 N HN 0.390 nan 8.380 nan 0.000 0.429 797 L N -0.650 120.509 121.223 -0.106 0.000 2.022 797 L HA -0.054 4.283 4.340 -0.005 0.000 0.204 797 L C 1.763 178.466 176.870 -0.279 0.000 1.076 797 L CA 1.125 55.860 54.840 -0.175 0.000 0.749 797 L CB -0.190 41.758 42.059 -0.184 0.000 0.903 797 L HN 0.052 nan 8.230 nan 0.000 0.439 798 V N -1.640 117.966 119.914 -0.514 0.000 2.690 798 V HA -0.120 3.997 4.120 -0.005 0.000 0.240 798 V C 2.422 178.329 176.094 -0.311 0.000 1.078 798 V CA 1.346 63.307 62.300 -0.565 0.000 1.102 798 V CB 0.070 31.194 31.823 -1.165 0.000 0.800 798 V HN 0.399 nan 8.190 nan 0.000 0.479 799 T N 0.502 114.890 114.554 -0.275 0.000 2.685 799 T HA -0.230 4.117 4.350 -0.005 0.000 0.268 799 T C 1.215 175.941 174.700 0.043 0.000 1.034 799 T CA 2.011 64.121 62.100 0.017 0.000 1.149 799 T CB -0.276 68.666 68.868 0.124 0.000 0.860 799 T HN 0.456 nan 8.240 nan 0.000 0.449 800 D N -0.095 120.323 120.400 0.029 0.000 2.363 800 D HA 0.234 4.871 4.640 -0.005 0.000 0.214 800 D C 1.845 178.220 176.300 0.125 0.000 1.093 800 D CA 0.154 54.250 54.000 0.160 0.000 0.837 800 D CB -0.037 40.819 40.800 0.094 0.000 0.948 800 D HN 0.440 nan 8.370 nan 0.000 0.507 801 G N 1.537 110.336 108.800 -0.001 0.000 2.605 801 G HA2 -0.144 3.813 3.960 -0.005 0.000 0.215 801 G HA3 -0.144 3.813 3.960 -0.005 0.000 0.215 801 G C 1.642 176.523 174.900 -0.031 0.000 1.279 801 G CA 0.209 45.278 45.100 -0.052 0.000 0.831 801 G HN 0.210 nan 8.290 nan 0.000 0.560 802 L N 1.474 122.692 121.223 -0.008 0.000 2.051 802 L HA -0.089 4.248 4.340 -0.005 0.000 0.214 802 L C 0.097 176.997 176.870 0.050 0.000 1.076 802 L CA 1.392 56.254 54.840 0.038 0.000 0.758 802 L CB -1.871 40.227 42.059 0.065 0.000 0.890 802 L HN 0.230 nan 8.230 nan 0.000 0.433 803 P HA -0.206 nan 4.420 nan 0.000 0.215 803 P C 1.604 178.848 177.300 -0.092 0.000 1.153 803 P CA 2.110 65.188 63.100 -0.037 0.000 0.853 803 P CB -0.034 31.603 31.700 -0.105 0.000 0.788 804 A N -0.194 122.570 122.820 -0.093 0.000 1.841 804 A HA -0.205 4.112 4.320 -0.005 0.000 0.216 804 A C 2.356 179.848 177.584 -0.153 0.000 1.199 804 A CA 2.946 54.922 52.037 -0.102 0.000 0.621 804 A CB -2.062 16.848 19.000 -0.149 0.000 0.835 804 A HN 0.189 nan 8.150 nan 0.000 0.445 805 T N 0.544 114.975 114.554 -0.206 0.000 2.822 805 T HA -0.113 4.234 4.350 -0.005 0.000 0.270 805 T C 2.040 176.531 174.700 -0.348 0.000 1.064 805 T CA 1.588 63.520 62.100 -0.280 0.000 1.131 805 T CB -0.522 68.243 68.868 -0.171 0.000 0.858 805 T HN 0.652 nan 8.240 nan 0.000 0.483 806 A N 1.382 124.175 122.820 -0.046 0.000 1.940 806 A HA -0.020 4.297 4.320 -0.005 0.000 0.219 806 A C 2.173 179.756 177.584 -0.001 0.000 1.176 806 A CA 1.175 53.331 52.037 0.198 0.000 0.631 806 A CB -0.792 18.350 19.000 0.237 0.000 0.814 806 A HN 0.544 nan 8.150 nan 0.000 0.446 807 L N -0.612 120.566 121.223 -0.076 0.000 2.456 807 L HA -0.074 4.263 4.340 -0.005 0.000 0.224 807 L C 2.499 179.272 176.870 -0.162 0.000 1.148 807 L CA 0.529 55.336 54.840 -0.056 0.000 0.825 807 L CB -0.585 41.502 42.059 0.047 0.000 0.937 807 L HN 0.495 nan 8.230 nan 0.000 0.450 808 G N -0.132 108.409 108.800 -0.432 0.000 2.448 808 G HA2 -0.181 3.776 3.960 -0.005 0.000 0.218 808 G HA3 -0.181 3.776 3.960 -0.005 0.000 0.218 808 G C 1.019 175.517 174.900 -0.670 0.000 1.135 808 G CA 0.141 44.881 45.100 -0.600 0.000 0.784 808 G HN 0.334 nan 8.290 nan 0.000 0.543 809 F N 0.216 119.991 119.950 -0.291 0.000 2.727 809 F HA 0.326 4.850 4.527 -0.005 0.000 0.302 809 F C 0.800 176.503 175.800 -0.162 0.000 1.097 809 F CA -1.652 56.113 58.000 -0.392 0.000 1.330 809 F CB -0.721 37.671 39.000 -1.013 0.000 1.084 809 F HN -0.122 nan 8.300 nan 0.000 0.578 810 N N 3.435 122.127 118.700 -0.013 0.000 2.365 810 N HA 0.009 4.746 4.740 -0.005 0.000 0.265 810 N C -2.548 172.977 175.510 0.024 0.000 1.288 810 N CA -0.920 52.141 53.050 0.018 0.000 0.869 810 N CB 0.335 38.799 38.487 -0.038 0.000 1.071 810 N HN -0.147 nan 8.380 nan 0.000 0.480 811 P HA 0.116 nan 4.420 nan 0.000 0.264 811 P C -2.460 174.854 177.300 0.022 0.000 1.229 811 P CA -0.938 62.194 63.100 0.052 0.000 0.780 811 P CB -0.065 31.677 31.700 0.069 0.000 0.808 812 P HA 0.111 nan 4.420 nan 0.000 0.271 812 P C -0.403 176.903 177.300 0.010 0.000 1.216 812 P CA 0.002 63.104 63.100 0.003 0.000 0.776 812 P CB 0.445 32.147 31.700 0.002 0.000 0.881 813 D N 1.082 121.486 120.400 0.006 0.000 2.364 813 D HA -0.018 4.619 4.640 -0.005 0.000 0.236 813 D C 1.275 177.582 176.300 0.012 0.000 1.221 813 D CA -0.138 53.867 54.000 0.009 0.000 0.891 813 D CB 0.149 40.953 40.800 0.005 0.000 1.190 813 D HN 0.366 nan 8.370 nan 0.000 0.449 814 L N -1.520 119.711 121.223 0.014 0.000 2.627 814 L HA 0.199 4.536 4.340 -0.005 0.000 0.233 814 L C 0.325 177.202 176.870 0.011 0.000 1.144 814 L CA 0.379 55.227 54.840 0.014 0.000 0.892 814 L CB -0.237 41.832 42.059 0.017 0.000 1.039 814 L HN 0.295 nan 8.230 nan 0.000 0.442 815 D N -1.019 119.386 120.400 0.009 0.000 2.650 815 D HA 0.005 4.642 4.640 -0.005 0.000 0.265 815 D C 1.435 177.739 176.300 0.006 0.000 1.339 815 D CA -0.321 53.683 54.000 0.007 0.000 0.816 815 D CB 0.306 41.110 40.800 0.006 0.000 1.091 815 D HN 0.202 nan 8.370 nan 0.000 0.483 816 I N 0.479 121.053 120.570 0.006 0.000 2.394 816 I HA -0.130 4.037 4.170 -0.005 0.000 0.251 816 I C 1.613 177.732 176.117 0.005 0.000 1.136 816 I CA 0.907 62.211 61.300 0.007 0.000 1.425 816 I CB -0.062 37.941 38.000 0.007 0.000 1.079 816 I HN 0.042 nan 8.210 nan 0.000 0.425 817 M N -0.009 119.593 119.600 0.003 0.000 2.276 817 M HA -0.034 4.443 4.480 -0.005 0.000 0.262 817 M C 1.173 177.473 176.300 0.000 0.000 1.098 817 M CA 1.142 56.441 55.300 -0.000 0.000 1.167 817 M CB -1.442 31.158 32.600 -0.001 0.000 1.337 817 M HN 0.020 nan 8.290 nan 0.000 0.446 818 D N 1.054 121.456 120.400 0.002 0.000 2.417 818 D HA -0.070 4.567 4.640 -0.005 0.000 0.253 818 D C -0.069 176.232 176.300 0.001 0.000 1.171 818 D CA 0.561 54.562 54.000 0.002 0.000 0.984 818 D CB -0.110 40.692 40.800 0.003 0.000 0.893 818 D HN 0.204 nan 8.370 nan 0.000 0.516 819 R N -0.059 120.442 120.500 0.001 0.000 2.725 819 R HA 0.381 4.718 4.340 -0.005 0.000 0.277 819 R C -2.639 173.661 176.300 -0.001 0.000 0.987 819 R CA -1.986 54.115 56.100 0.001 0.000 0.901 819 R CB 1.618 31.921 30.300 0.004 0.000 1.207 819 R HN -0.121 nan 8.270 nan 0.000 0.463 820 P HA 0.084 nan 4.420 nan 0.000 0.269 820 P C -2.443 174.852 177.300 -0.007 0.000 1.215 820 P CA -1.167 61.930 63.100 -0.005 0.000 0.780 820 P CB -0.265 31.433 31.700 -0.003 0.000 0.898 821 P HA 0.127 nan 4.420 nan 0.000 0.268 821 P C 0.153 177.440 177.300 -0.021 0.000 1.204 821 P CA 0.150 63.233 63.100 -0.028 0.000 0.768 821 P CB 0.403 32.081 31.700 -0.037 0.000 0.842 822 R N 1.116 121.601 120.500 -0.024 0.000 2.738 822 R HA 0.145 4.482 4.340 -0.005 0.000 0.268 822 R C 0.760 177.050 176.300 -0.017 0.000 1.062 822 R CA -0.259 55.839 56.100 -0.004 0.000 1.158 822 R CB -0.090 30.228 30.300 0.030 0.000 1.046 822 R HN 0.476 nan 8.270 nan 0.000 0.493 823 S N 1.994 117.696 115.700 0.003 0.000 2.573 823 S HA -0.015 4.452 4.470 -0.005 0.000 0.297 823 S C -1.171 173.424 174.600 -0.009 0.000 1.280 823 S CA -1.084 57.117 58.200 0.003 0.000 1.061 823 S CB 0.372 63.580 63.200 0.015 0.000 0.812 823 S HN 0.335 nan 8.310 nan 0.000 0.500 824 P HA -0.035 nan 4.420 nan 0.000 0.215 824 P C 0.905 178.201 177.300 -0.007 0.000 1.157 824 P CA 1.203 64.295 63.100 -0.014 0.000 0.863 824 P CB 0.124 31.824 31.700 0.000 0.000 0.787 825 K N -0.314 120.089 120.400 0.005 0.000 2.379 825 K HA 0.047 4.364 4.320 -0.005 0.000 0.194 825 K C 0.808 177.417 176.600 0.014 0.000 1.031 825 K CA -0.083 56.209 56.287 0.009 0.000 1.037 825 K CB -0.215 32.291 32.500 0.011 0.000 0.824 825 K HN 0.330 nan 8.250 nan 0.000 0.516 826 E N 2.565 122.775 120.200 0.018 0.000 2.760 826 E HA -0.126 4.222 4.350 -0.005 0.000 0.268 826 E C -1.759 174.857 176.600 0.027 0.000 0.935 826 E CA -0.865 55.551 56.400 0.026 0.000 0.960 826 E CB 0.720 30.443 29.700 0.038 0.000 0.931 826 E HN -0.073 nan 8.360 nan 0.000 0.483 827 P HA -0.080 nan 4.420 nan 0.000 0.198 827 P C 0.679 177.979 177.300 -0.000 0.000 1.020 827 P CA 0.725 63.833 63.100 0.012 0.000 0.835 827 P CB 0.183 31.890 31.700 0.011 0.000 0.659 828 L N -4.740 116.469 121.223 -0.023 0.000 1.308 828 L HA 0.162 4.499 4.340 -0.005 0.000 0.037 828 L C -1.262 175.551 176.870 -0.095 0.000 1.633 828 L CA 0.282 55.074 54.840 -0.080 0.000 1.050 828 L CB -1.125 40.836 42.059 -0.164 0.000 2.021 828 L HN -0.115 nan 8.230 nan 0.000 0.414 829 I N 1.861 122.361 120.570 -0.117 0.000 2.321 829 I HA 0.803 4.970 4.170 -0.005 0.000 0.291 829 I C 0.227 176.387 176.117 0.072 0.000 0.998 829 I CA 0.040 61.313 61.300 -0.044 0.000 1.227 829 I CB 0.938 38.874 38.000 -0.106 0.000 1.368 829 I HN 0.557 nan 8.210 nan 0.000 0.466 830 S N 2.637 118.421 115.700 0.141 0.000 2.621 830 S HA 0.703 5.170 4.470 -0.005 0.000 0.271 830 S C 0.479 175.220 174.600 0.235 0.000 1.131 830 S CA -0.457 57.845 58.200 0.169 0.000 0.962 830 S CB -0.096 63.144 63.200 0.065 0.000 1.199 830 S HN 1.844 nan 8.310 nan 0.000 0.474 831 G N 1.609 110.536 108.800 0.212 0.000 2.774 831 G HA2 -0.393 3.564 3.960 -0.005 0.000 0.342 831 G HA3 -0.393 3.564 3.960 -0.005 0.000 0.342 831 G C 0.766 175.922 174.900 0.426 0.000 1.185 831 G CA 1.091 46.345 45.100 0.257 0.000 0.956 831 G HN 1.431 nan 8.290 nan 0.000 0.561 832 W N 0.149 121.553 121.300 0.174 0.000 3.278 832 W HA 0.531 5.188 4.660 -0.005 0.000 0.308 832 W C 1.654 178.315 176.519 0.237 0.000 1.253 832 W CA 0.361 57.829 57.345 0.206 0.000 1.759 832 W CB 0.171 29.712 29.460 0.136 0.000 1.093 832 W HN 0.322 nan 8.180 nan 0.000 0.648 833 L N -0.319 121.035 121.223 0.218 0.000 2.575 833 L HA 0.130 4.467 4.340 -0.005 0.000 0.228 833 L C 1.811 178.844 176.870 0.271 0.000 1.075 833 L CA 0.736 55.677 54.840 0.167 0.000 0.867 833 L CB -0.860 41.329 42.059 0.217 0.000 1.097 833 L HN -0.094 nan 8.230 nan 0.000 0.485 834 F N -0.430 119.611 119.950 0.152 0.000 2.084 834 F HA -0.225 4.299 4.527 -0.005 0.000 0.296 834 F C 2.226 178.110 175.800 0.139 0.000 1.111 834 F CA 1.759 59.855 58.000 0.160 0.000 1.224 834 F CB -0.594 38.503 39.000 0.161 0.000 0.991 834 F HN 0.149 nan 8.300 nan 0.000 0.471 835 F N 1.343 121.254 119.950 -0.064 0.000 2.216 835 F HA -0.068 4.456 4.527 -0.005 0.000 0.300 835 F C 2.497 178.045 175.800 -0.421 0.000 1.085 835 F CA 1.480 59.336 58.000 -0.240 0.000 1.326 835 F CB -0.543 38.414 39.000 -0.072 0.000 1.027 835 F HN -0.130 nan 8.300 nan 0.000 0.497 836 R N -1.279 118.913 120.500 -0.513 0.000 2.120 836 R HA -0.168 4.169 4.340 -0.005 0.000 0.234 836 R C 1.368 177.207 176.300 -0.767 0.000 1.123 836 R CA 1.639 57.279 56.100 -0.766 0.000 0.975 836 R CB -0.397 29.501 30.300 -0.670 0.000 0.866 836 R HN 0.385 nan 8.270 nan 0.000 0.446 837 Y N -2.114 117.975 120.300 -0.352 0.000 2.444 837 Y HA 0.063 4.610 4.550 -0.005 0.000 0.249 837 Y C 1.698 177.402 175.900 -0.326 0.000 1.134 837 Y CA -0.144 57.792 58.100 -0.272 0.000 1.261 837 Y CB 0.408 38.772 38.460 -0.160 0.000 1.143 837 Y HN -0.056 nan 8.280 nan 0.000 0.523 838 M N 0.222 119.603 119.600 -0.366 0.000 2.299 838 M HA 0.142 4.619 4.480 -0.005 0.000 0.264 838 M C 2.257 178.342 176.300 -0.358 0.000 1.095 838 M CA 1.733 56.773 55.300 -0.433 0.000 1.165 838 M CB -0.495 31.686 32.600 -0.699 0.000 1.349 838 M HN 0.093 nan 8.290 nan 0.000 0.446 839 A N 0.511 123.002 122.820 -0.548 0.000 1.865 839 A HA -0.130 4.187 4.320 -0.005 0.000 0.217 839 A C 1.928 179.327 177.584 -0.308 0.000 1.191 839 A CA 2.025 53.741 52.037 -0.535 0.000 0.623 839 A CB -1.102 17.318 19.000 -0.966 0.000 0.826 839 A HN 0.505 nan 8.150 nan 0.000 0.444 840 I N 0.518 120.872 120.570 -0.360 0.000 2.361 840 I HA -0.126 4.041 4.170 -0.005 0.000 0.251 840 I C 2.607 178.666 176.117 -0.097 0.000 1.133 840 I CA 0.820 61.973 61.300 -0.245 0.000 1.413 840 I CB -1.593 36.209 38.000 -0.330 0.000 1.073 840 I HN 0.299 nan 8.210 nan 0.000 0.424 841 G N 0.288 109.014 108.800 -0.123 0.000 2.421 841 G HA2 -0.166 3.791 3.960 -0.005 0.000 0.216 841 G HA3 -0.166 3.791 3.960 -0.005 0.000 0.216 841 G C 1.742 176.622 174.900 -0.033 0.000 1.171 841 G CA 0.770 45.830 45.100 -0.066 0.000 0.775 841 G HN 0.505 nan 8.290 nan 0.000 0.543 842 G N -1.035 107.737 108.800 -0.047 0.000 2.813 842 G HA2 -0.006 3.951 3.960 -0.005 0.000 0.209 842 G HA3 -0.006 3.951 3.960 -0.005 0.000 0.209 842 G C 1.401 176.310 174.900 0.016 0.000 1.150 842 G CA 0.667 45.759 45.100 -0.015 0.000 0.785 842 G HN 0.459 nan 8.290 nan 0.000 0.535 843 Y N 0.928 121.173 120.300 -0.091 0.000 2.206 843 Y HA -0.013 4.534 4.550 -0.005 0.000 0.292 843 Y C 2.568 178.436 175.900 -0.053 0.000 1.123 843 Y CA 1.046 59.100 58.100 -0.076 0.000 1.142 843 Y CB 0.015 38.413 38.460 -0.104 0.000 1.006 843 Y HN 0.009 nan 8.280 nan 0.000 0.518 844 V N 0.669 120.656 119.914 0.122 0.000 2.688 844 V HA -0.288 3.829 4.120 -0.005 0.000 0.256 844 V C 2.437 178.500 176.094 -0.053 0.000 1.084 844 V CA 1.733 64.060 62.300 0.045 0.000 1.103 844 V CB -1.508 30.347 31.823 0.053 0.000 0.688 844 V HN 0.674 nan 8.190 nan 0.000 0.480 845 G N -0.023 108.744 108.800 -0.057 0.000 2.434 845 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.214 845 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.214 845 G C 1.631 176.483 174.900 -0.080 0.000 1.202 845 G CA 0.729 45.804 45.100 -0.040 0.000 0.788 845 G HN 0.619 nan 8.290 nan 0.000 0.539 846 A N 0.402 123.128 122.820 -0.157 0.000 2.259 846 A HA 0.461 4.778 4.320 -0.005 0.000 0.212 846 A C 2.344 179.782 177.584 -0.242 0.000 1.178 846 A CA 1.865 53.788 52.037 -0.190 0.000 0.734 846 A CB -0.306 18.535 19.000 -0.265 0.000 0.774 846 A HN 0.730 nan 8.150 nan 0.000 0.481 847 A N -1.068 121.602 122.820 -0.250 0.000 2.085 847 A HA 0.204 4.521 4.320 -0.005 0.000 0.208 847 A C 2.142 179.667 177.584 -0.098 0.000 1.191 847 A CA 1.448 53.364 52.037 -0.201 0.000 0.799 847 A CB -0.453 18.439 19.000 -0.180 0.000 0.877 847 A HN 0.531 nan 8.150 nan 0.000 0.473 848 T N -1.158 113.360 114.554 -0.061 0.000 3.000 848 T HA -0.045 4.302 4.350 -0.005 0.000 0.233 848 T C 1.676 176.390 174.700 0.025 0.000 1.036 848 T CA 1.586 63.672 62.100 -0.023 0.000 1.333 848 T CB -1.400 67.463 68.868 -0.008 0.000 1.048 848 T HN 0.328 nan 8.240 nan 0.000 0.425 849 V N 1.789 121.733 119.914 0.050 0.000 2.546 849 V HA 0.008 4.125 4.120 -0.005 0.000 0.254 849 V C 2.781 178.967 176.094 0.153 0.000 1.076 849 V CA 1.616 63.982 62.300 0.111 0.000 1.087 849 V CB -2.099 29.781 31.823 0.095 0.000 0.674 849 V HN 0.688 nan 8.190 nan 0.000 0.470 850 G N 0.276 109.130 108.800 0.089 0.000 2.505 850 G HA2 -0.076 3.881 3.960 -0.005 0.000 0.214 850 G HA3 -0.076 3.881 3.960 -0.005 0.000 0.214 850 G C 1.682 176.673 174.900 0.150 0.000 1.237 850 G CA 1.051 46.208 45.100 0.095 0.000 0.802 850 G HN 0.695 nan 8.290 nan 0.000 0.549 851 A N 0.431 123.268 122.820 0.027 0.000 2.066 851 A HA 0.473 4.790 4.320 -0.005 0.000 0.218 851 A C 2.589 180.218 177.584 0.075 0.000 1.157 851 A CA 1.957 53.946 52.037 -0.080 0.000 0.670 851 A CB -0.398 18.462 19.000 -0.232 0.000 0.804 851 A HN 0.687 nan 8.150 nan 0.000 0.453 852 A N -0.164 122.734 122.820 0.130 0.000 1.850 852 A HA 0.386 4.703 4.320 -0.005 0.000 0.212 852 A C 2.469 180.266 177.584 0.354 0.000 1.208 852 A CA 1.384 53.516 52.037 0.159 0.000 0.609 852 A CB -1.156 17.869 19.000 0.042 0.000 0.860 852 A HN 0.977 nan 8.150 nan 0.000 0.448 853 A N -1.075 121.979 122.820 0.388 0.000 1.978 853 A HA -0.210 4.107 4.320 -0.005 0.000 0.220 853 A C 1.946 179.886 177.584 0.594 0.000 1.170 853 A CA 1.647 54.032 52.037 0.580 0.000 0.636 853 A CB -1.189 18.081 19.000 0.449 0.000 0.810 853 A HN 0.979 nan 8.150 nan 0.000 0.448 854 W N -0.507 120.979 121.300 0.311 0.000 2.292 854 W HA -0.299 4.358 4.660 -0.004 0.000 0.304 854 W C 1.888 178.608 176.519 0.335 0.000 1.228 854 W CA 1.999 59.543 57.345 0.333 0.000 1.241 854 W CB -0.504 29.066 29.460 0.183 0.000 1.142 854 W HN 0.520 nan 8.180 nan 0.000 0.520 855 W N 0.171 121.635 121.300 0.273 0.000 2.388 855 W HA -0.137 4.520 4.660 -0.005 0.000 0.294 855 W C 2.031 178.428 176.519 -0.203 0.000 1.212 855 W CA 2.195 59.436 57.345 -0.173 0.000 1.271 855 W CB -1.022 28.479 29.460 0.070 0.000 1.126 855 W HN -0.028 nan 8.180 nan 0.000 0.535 856 F N 0.295 120.324 119.950 0.133 0.000 2.134 856 F HA -0.298 4.226 4.527 -0.005 0.000 0.299 856 F C 2.365 177.959 175.800 -0.344 0.000 1.097 856 F CA 1.639 59.553 58.000 -0.143 0.000 1.264 856 F CB -0.155 38.939 39.000 0.156 0.000 1.001 856 F HN -0.123 nan 8.300 nan 0.000 0.479 857 M N -2.273 117.277 119.600 -0.083 0.000 2.738 857 M HA 0.032 4.509 4.480 -0.005 0.000 0.256 857 M C 1.196 177.067 176.300 -0.714 0.000 1.253 857 M CA 1.393 56.443 55.300 -0.417 0.000 1.223 857 M CB -0.870 31.444 32.600 -0.477 0.000 1.263 857 M HN 0.076 nan 8.290 nan 0.000 0.521 858 Y N 0.596 120.649 120.300 -0.412 0.000 2.445 858 Y HA 0.544 5.092 4.550 -0.004 0.000 0.247 858 Y C 1.197 176.665 175.900 -0.719 0.000 1.129 858 Y CA -0.827 56.997 58.100 -0.460 0.000 1.251 858 Y CB -0.406 37.855 38.460 -0.331 0.000 1.176 858 Y HN 0.117 nan 8.280 nan 0.000 0.522 859 A N 1.739 123.970 122.820 -0.981 0.000 2.513 859 A HA -0.059 4.258 4.320 -0.005 0.000 0.274 859 A C 1.615 178.882 177.584 -0.528 0.000 1.115 859 A CA 0.197 51.580 52.037 -1.090 0.000 0.792 859 A CB -0.315 18.048 19.000 -1.062 0.000 1.053 859 A HN 0.617 nan 8.150 nan 0.000 0.515 860 E N 1.744 121.772 120.200 -0.287 0.000 2.324 860 E HA -0.255 4.092 4.350 -0.005 0.000 0.205 860 E C 0.082 176.585 176.600 -0.161 0.000 1.031 860 E CA 1.958 58.270 56.400 -0.147 0.000 0.836 860 E CB 0.121 29.805 29.700 -0.026 0.000 0.742 860 E HN 0.755 nan 8.360 nan 0.000 0.491 861 D N -0.831 119.452 120.400 -0.196 0.000 2.535 861 D HA 0.158 4.795 4.640 -0.005 0.000 0.229 861 D C 0.141 176.239 176.300 -0.336 0.000 1.238 861 D CA 0.216 54.125 54.000 -0.152 0.000 0.824 861 D CB 0.854 41.663 40.800 0.013 0.000 1.045 861 D HN 0.154 nan 8.370 nan 0.000 0.500 862 G N 1.441 109.814 108.800 -0.712 0.000 2.521 862 G HA2 0.418 4.375 3.960 -0.005 0.000 0.323 862 G HA3 0.418 4.375 3.960 -0.005 0.000 0.323 862 G C -1.578 172.881 174.900 -0.735 0.000 1.211 862 G CA -0.872 43.450 45.100 -1.296 0.000 0.979 862 G HN -0.191 nan 8.290 nan 0.000 0.490 863 P HA 0.054 nan 4.420 nan 0.000 0.199 863 P C 1.057 178.168 177.300 -0.315 0.000 1.118 863 P CA 2.196 65.078 63.100 -0.362 0.000 0.913 863 P CB 0.096 31.631 31.700 -0.274 0.000 0.738 864 G N -2.597 106.027 108.800 -0.294 0.000 2.165 864 G HA2 -0.064 3.893 3.960 -0.005 0.000 0.144 864 G HA3 -0.064 3.893 3.960 -0.005 0.000 0.144 864 G C -0.180 174.596 174.900 -0.206 0.000 1.049 864 G CA -0.378 44.560 45.100 -0.271 0.000 0.741 864 G HN 0.341 nan 8.290 nan 0.000 0.493 865 V N 1.809 121.614 119.914 -0.181 0.000 2.999 865 V HA 0.459 4.577 4.120 -0.005 0.000 0.307 865 V C 1.601 177.628 176.094 -0.113 0.000 1.084 865 V CA 0.912 63.140 62.300 -0.120 0.000 1.155 865 V CB 1.174 32.941 31.823 -0.092 0.000 0.975 865 V HN 0.787 nan 8.190 nan 0.000 0.490 866 T N 1.244 115.756 114.554 -0.069 0.000 2.874 866 T HA 0.248 4.595 4.350 -0.005 0.000 0.281 866 T C 0.695 175.408 174.700 0.023 0.000 0.994 866 T CA -0.111 61.989 62.100 0.001 0.000 1.015 866 T CB 0.648 69.565 68.868 0.082 0.000 1.028 866 T HN 0.542 nan 8.240 nan 0.000 0.523 867 Y N 1.908 122.225 120.300 0.028 0.000 2.053 867 Y HA -0.271 4.276 4.550 -0.005 0.000 0.277 867 Y C 2.670 178.613 175.900 0.071 0.000 1.159 867 Y CA 2.614 60.751 58.100 0.061 0.000 1.125 867 Y CB -0.541 37.981 38.460 0.104 0.000 0.969 867 Y HN 0.954 nan 8.280 nan 0.000 0.492 868 H N 0.638 119.609 119.070 -0.164 0.000 2.551 868 H HA 0.018 4.571 4.556 -0.005 0.000 0.266 868 H C 1.426 176.574 175.328 -0.301 0.000 0.977 868 H CA 0.999 56.929 56.048 -0.196 0.000 1.163 868 H CB -0.592 29.190 29.762 0.033 0.000 1.381 868 H HN 0.722 nan 8.280 nan 0.000 0.581 869 Q N 0.194 119.459 119.800 -0.891 0.000 2.425 869 Q HA 0.061 4.398 4.340 -0.005 0.000 0.204 869 Q C 1.448 177.165 176.000 -0.471 0.000 0.933 869 Q CA 0.209 55.317 55.803 -1.158 0.000 0.939 869 Q CB 0.112 28.068 28.738 -1.303 0.000 1.044 869 Q HN 0.353 nan 8.270 nan 0.000 0.513 870 L N 0.938 121.938 121.223 -0.373 0.000 2.357 870 L HA 0.105 4.442 4.340 -0.005 0.000 0.211 870 L C 2.087 178.734 176.870 -0.371 0.000 1.075 870 L CA 1.762 56.398 54.840 -0.341 0.000 0.830 870 L CB 0.100 41.981 42.059 -0.297 0.000 0.996 870 L HN 0.345 nan 8.230 nan 0.000 0.467 871 T N -4.518 109.811 114.554 -0.375 0.000 3.148 871 T HA 0.001 4.348 4.350 -0.005 0.000 0.253 871 T C 0.762 175.216 174.700 -0.409 0.000 1.134 871 T CA 0.940 62.827 62.100 -0.354 0.000 1.051 871 T CB -0.481 68.122 68.868 -0.442 0.000 0.959 871 T HN 0.474 nan 8.240 nan 0.000 0.525 872 H N -0.372 118.513 119.070 -0.307 0.000 2.916 872 H HA 0.317 4.870 4.556 -0.005 0.000 0.262 872 H C 0.969 176.033 175.328 -0.440 0.000 1.178 872 H CA -0.842 55.007 56.048 -0.332 0.000 1.090 872 H CB -0.226 29.339 29.762 -0.328 0.000 1.657 872 H HN 0.474 nan 8.280 nan 0.000 0.601 873 F N -0.298 119.268 119.950 -0.639 0.000 2.271 873 F HA -0.254 4.270 4.527 -0.005 0.000 0.302 873 F C 1.627 177.071 175.800 -0.592 0.000 1.063 873 F CA 0.915 58.265 58.000 -1.082 0.000 1.362 873 F CB -0.416 37.271 39.000 -2.188 0.000 1.060 873 F HN 0.068 nan 8.300 nan 0.000 0.521 874 M N 0.750 119.531 119.600 -1.365 0.000 2.159 874 M HA -0.152 4.325 4.480 -0.005 0.000 0.263 874 M C 1.275 177.295 176.300 -0.468 0.000 1.063 874 M CA 1.453 56.128 55.300 -1.042 0.000 1.110 874 M CB -1.097 30.989 32.600 -0.857 0.000 1.374 874 M HN 0.389 nan 8.290 nan 0.000 0.411 875 Q N -0.911 118.704 119.800 -0.308 0.000 2.412 875 Q HA 0.038 4.375 4.340 -0.005 0.000 0.298 875 Q C 1.484 177.475 176.000 -0.014 0.000 0.938 875 Q CA -0.386 55.341 55.803 -0.127 0.000 0.968 875 Q CB -0.001 28.698 28.738 -0.064 0.000 1.187 875 Q HN 0.438 nan 8.270 nan 0.000 0.421 876 c N 0.063 118.663 118.600 -0.001 0.000 2.541 876 c HA -0.012 4.555 4.570 -0.005 0.000 0.284 876 c C 2.008 176.200 174.090 0.169 0.000 1.341 876 c CA 1.077 57.514 56.329 0.180 0.000 1.732 876 c CB -0.246 42.449 42.510 0.308 0.000 2.126 876 c HN 0.603 nan 8.230 nan 0.000 0.505 877 T N -0.474 114.117 114.554 0.062 0.000 3.624 877 T HA 0.359 4.706 4.350 -0.005 0.000 0.231 877 T C 0.290 174.990 174.700 0.000 0.000 0.865 877 T CA 0.600 62.709 62.100 0.015 0.000 0.926 877 T CB -0.707 68.153 68.868 -0.013 0.000 1.189 877 T HN 0.905 nan 8.240 nan 0.000 0.640 878 E N -0.629 119.594 120.200 0.038 0.000 2.713 878 E HA -0.018 4.329 4.350 -0.005 0.000 0.289 878 E C 0.217 176.846 176.600 0.049 0.000 1.103 878 E CA -0.547 55.862 56.400 0.016 0.000 2.118 878 E CB -0.731 28.954 29.700 -0.026 0.000 2.234 878 E HN 0.162 nan 8.360 nan 0.000 1.092 879 D N 0.487 120.908 120.400 0.034 0.000 2.663 879 D HA 0.027 4.664 4.640 -0.005 0.000 0.243 879 D C 0.883 177.251 176.300 0.114 0.000 1.218 879 D CA 0.186 54.199 54.000 0.021 0.000 0.846 879 D CB -0.234 40.516 40.800 -0.084 0.000 1.014 879 D HN 0.308 nan 8.370 nan 0.000 0.476 880 H N 1.075 120.177 119.070 0.053 0.000 2.321 880 H HA -0.122 4.430 4.556 -0.006 0.000 0.295 880 H C -0.982 174.389 175.328 0.072 0.000 1.102 880 H CA 2.278 58.376 56.048 0.083 0.000 1.266 880 H CB -0.755 29.038 29.762 0.051 0.000 1.363 880 H HN 0.227 nan 8.280 nan 0.000 0.492 881 P HA -0.186 nan 4.420 nan 0.000 0.216 881 P C 1.055 178.235 177.300 -0.200 0.000 1.150 881 P CA 1.944 64.974 63.100 -0.116 0.000 0.843 881 P CB -0.168 31.518 31.700 -0.022 0.000 0.787 882 H N -1.587 117.288 119.070 -0.326 0.000 2.394 882 H HA -0.080 4.473 4.556 -0.006 0.000 0.297 882 H C 0.276 174.926 175.328 -1.130 0.000 1.113 882 H CA 1.383 57.020 56.048 -0.686 0.000 1.277 882 H CB -0.559 28.803 29.762 -0.667 0.000 1.370 882 H HN 0.162 nan 8.280 nan 0.000 0.506 883 F N 0.444 120.346 119.950 -0.081 0.000 2.708 883 F HA 0.158 4.682 4.527 -0.004 0.000 0.344 883 F C -0.492 175.137 175.800 -0.284 0.000 1.447 883 F CA -0.841 57.075 58.000 -0.139 0.000 1.140 883 F CB 0.348 39.297 39.000 -0.085 0.000 1.657 883 F HN 0.012 nan 8.300 nan 0.000 0.598 884 E N 0.551 120.578 120.200 -0.287 0.000 2.037 884 E HA 0.278 4.625 4.350 -0.005 0.000 0.253 884 E C 0.527 177.035 176.600 -0.153 0.000 1.265 884 E CA 0.051 56.179 56.400 -0.454 0.000 0.972 884 E CB 0.596 30.146 29.700 -0.250 0.000 1.054 884 E HN 0.619 nan 8.360 nan 0.000 0.432 885 G N 3.266 112.033 108.800 -0.054 0.000 3.434 885 G HA2 0.508 4.465 3.960 -0.005 0.000 0.192 885 G HA3 0.508 4.465 3.960 -0.005 0.000 0.192 885 G C -0.314 174.641 174.900 0.092 0.000 1.704 885 G CA -0.694 44.429 45.100 0.039 0.000 0.936 885 G HN 0.429 nan 8.290 nan 0.000 0.623 886 L N 0.340 121.605 121.223 0.070 0.000 2.752 886 L HA 0.302 4.639 4.340 -0.005 0.000 0.257 886 L C -1.646 175.226 176.870 0.004 0.000 0.968 886 L CA -0.511 54.353 54.840 0.040 0.000 0.953 886 L CB 1.826 43.882 42.059 -0.005 0.000 1.286 886 L HN 0.566 nan 8.230 nan 0.000 0.443 887 D N 1.767 122.175 120.400 0.013 0.000 5.036 887 D HA -0.154 4.484 4.640 -0.005 0.000 0.231 887 D C 0.392 176.693 176.300 0.003 0.000 1.396 887 D CA 0.322 54.319 54.000 -0.005 0.000 1.180 887 D CB -0.068 40.727 40.800 -0.008 0.000 0.614 887 D HN 0.696 nan 8.370 nan 0.000 0.300 888 c N 3.498 122.127 118.600 0.047 0.000 2.511 888 c HA -0.001 4.566 4.570 -0.005 0.000 0.300 888 c C 2.101 176.307 174.090 0.194 0.000 1.393 888 c CA 0.411 56.833 56.329 0.155 0.000 1.637 888 c CB -1.053 41.554 42.510 0.161 0.000 1.637 888 c HN 0.486 nan 8.230 nan 0.000 0.595 889 E N 0.163 120.426 120.200 0.104 0.000 2.473 889 E HA 0.136 4.483 4.350 -0.005 0.000 0.204 889 E C 1.686 178.367 176.600 0.134 0.000 0.994 889 E CA 0.054 56.533 56.400 0.132 0.000 0.945 889 E CB 0.183 29.933 29.700 0.084 0.000 0.990 889 E HN 0.632 nan 8.360 nan 0.000 0.493 890 I N 0.739 121.334 120.570 0.043 0.000 2.700 890 I HA -0.193 3.974 4.170 -0.005 0.000 0.261 890 I C 1.230 177.497 176.117 0.250 0.000 1.219 890 I CA 0.683 62.034 61.300 0.086 0.000 1.463 890 I CB -0.212 37.761 38.000 -0.046 0.000 1.092 890 I HN 0.127 nan 8.210 nan 0.000 0.452 891 F N 1.225 121.336 119.950 0.269 0.000 2.502 891 F HA -0.063 4.461 4.527 -0.006 0.000 0.298 891 F C 1.841 177.775 175.800 0.224 0.000 1.111 891 F CA 0.882 58.992 58.000 0.182 0.000 1.445 891 F CB -0.335 38.739 39.000 0.122 0.000 1.081 891 F HN 0.120 nan 8.300 nan 0.000 0.558 892 E N -0.215 120.206 120.200 0.370 0.000 2.569 892 E HA 0.333 4.680 4.350 -0.005 0.000 0.205 892 E C 0.431 177.129 176.600 0.163 0.000 1.006 892 E CA -0.319 56.226 56.400 0.242 0.000 0.985 892 E CB 0.294 30.112 29.700 0.197 0.000 1.060 892 E HN 0.129 nan 8.360 nan 0.000 0.460 893 A N 2.262 125.193 122.820 0.184 0.000 2.462 893 A HA 0.179 4.496 4.320 -0.005 0.000 0.243 893 A C -1.531 175.971 177.584 -0.136 0.000 1.076 893 A CA -1.074 50.983 52.037 0.032 0.000 0.773 893 A CB 0.209 19.254 19.000 0.076 0.000 1.010 893 A HN -0.039 nan 8.150 nan 0.000 0.493 894 P HA -0.074 nan 4.420 nan 0.000 0.220 894 P C 0.748 177.823 177.300 -0.375 0.000 1.152 894 P CA 1.055 64.038 63.100 -0.195 0.000 0.812 894 P CB 0.186 31.811 31.700 -0.126 0.000 0.792 895 E N 0.548 120.373 120.200 -0.625 0.000 2.070 895 E HA -0.172 4.175 4.350 -0.005 0.000 0.197 895 E C -0.518 175.446 176.600 -1.060 0.000 1.004 895 E CA 2.123 57.936 56.400 -0.979 0.000 0.805 895 E CB -2.382 26.321 29.700 -1.662 0.000 0.744 895 E HN 0.405 nan 8.360 nan 0.000 0.451 896 P HA -0.154 nan 4.420 nan 0.000 0.215 896 P C 1.340 178.445 177.300 -0.325 0.000 1.157 896 P CA 1.554 64.222 63.100 -0.721 0.000 0.868 896 P CB -0.073 31.159 31.700 -0.781 0.000 0.788 897 M N -1.284 118.163 119.600 -0.255 0.000 2.175 897 M HA -0.096 4.381 4.480 -0.005 0.000 0.264 897 M C 1.977 178.205 176.300 -0.120 0.000 1.063 897 M CA 1.875 57.106 55.300 -0.115 0.000 1.119 897 M CB -1.245 31.320 32.600 -0.059 0.000 1.377 897 M HN -0.053 nan 8.290 nan 0.000 0.415 898 T N 0.332 114.775 114.554 -0.185 0.000 2.821 898 T HA -0.138 4.209 4.350 -0.005 0.000 0.267 898 T C 1.625 176.213 174.700 -0.187 0.000 1.046 898 T CA 1.153 63.162 62.100 -0.151 0.000 1.139 898 T CB -0.134 68.623 68.868 -0.185 0.000 0.871 898 T HN 0.239 nan 8.240 nan 0.000 0.454 899 M N 1.524 120.972 119.600 -0.253 0.000 2.175 899 M HA 0.142 4.619 4.480 -0.005 0.000 0.264 899 M C 2.262 178.438 176.300 -0.206 0.000 1.063 899 M CA 1.155 56.295 55.300 -0.267 0.000 1.119 899 M CB -0.646 31.840 32.600 -0.188 0.000 1.377 899 M HN 0.220 nan 8.290 nan 0.000 0.415 900 A N -0.600 122.144 122.820 -0.127 0.000 1.872 900 A HA -0.061 4.256 4.320 -0.005 0.000 0.214 900 A C 2.077 179.623 177.584 -0.064 0.000 1.187 900 A CA 1.476 53.468 52.037 -0.074 0.000 0.614 900 A CB -1.075 17.909 19.000 -0.026 0.000 0.826 900 A HN 0.507 nan 8.150 nan 0.000 0.442 901 L N 0.118 121.317 121.223 -0.040 0.000 2.017 901 L HA -0.103 4.234 4.340 -0.005 0.000 0.208 901 L C 2.450 179.304 176.870 -0.027 0.000 1.073 901 L CA 2.576 57.421 54.840 0.008 0.000 0.745 901 L CB -0.658 41.444 42.059 0.073 0.000 0.894 901 L HN 0.277 nan 8.230 nan 0.000 0.432 902 S N -1.313 114.355 115.700 -0.053 0.000 2.419 902 S HA -0.138 4.329 4.470 -0.005 0.000 0.235 902 S C 1.910 176.391 174.600 -0.199 0.000 1.019 902 S CA 1.270 59.379 58.200 -0.152 0.000 0.982 902 S CB -0.313 62.665 63.200 -0.370 0.000 0.789 902 S HN 0.353 nan 8.310 nan 0.000 0.490 903 V N 1.241 121.051 119.914 -0.173 0.000 2.488 903 V HA -0.039 4.078 4.120 -0.005 0.000 0.246 903 V C 2.123 178.187 176.094 -0.050 0.000 1.046 903 V CA 1.074 63.308 62.300 -0.110 0.000 1.053 903 V CB -0.472 31.283 31.823 -0.113 0.000 0.679 903 V HN 0.364 nan 8.190 nan 0.000 0.458 904 L N 0.139 121.331 121.223 -0.051 0.000 1.994 904 L HA -0.123 4.214 4.340 -0.005 0.000 0.208 904 L C 2.381 179.226 176.870 -0.042 0.000 1.071 904 L CA 2.044 56.864 54.840 -0.032 0.000 0.745 904 L CB -0.631 41.415 42.059 -0.022 0.000 0.892 904 L HN 0.127 nan 8.230 nan 0.000 0.431 905 V N -0.516 119.353 119.914 -0.075 0.000 2.233 905 V HA -0.355 3.762 4.120 -0.005 0.000 0.247 905 V C 2.479 178.543 176.094 -0.050 0.000 1.050 905 V CA 2.455 64.695 62.300 -0.098 0.000 1.010 905 V CB -1.353 30.299 31.823 -0.284 0.000 0.637 905 V HN 0.578 nan 8.190 nan 0.000 0.444 906 T N 0.337 114.873 114.554 -0.029 0.000 2.699 906 T HA -0.165 4.182 4.350 -0.005 0.000 0.268 906 T C 1.883 176.609 174.700 0.043 0.000 1.036 906 T CA 1.561 63.688 62.100 0.045 0.000 1.147 906 T CB -0.268 68.682 68.868 0.137 0.000 0.862 906 T HN 0.183 nan 8.240 nan 0.000 0.446 907 I N 1.179 121.768 120.570 0.031 0.000 2.315 907 I HA -0.072 4.095 4.170 -0.005 0.000 0.248 907 I C 2.483 178.619 176.117 0.030 0.000 1.117 907 I CA 1.319 62.639 61.300 0.033 0.000 1.404 907 I CB -0.859 37.169 38.000 0.047 0.000 1.071 907 I HN 0.209 nan 8.210 nan 0.000 0.419 908 E N -0.008 120.205 120.200 0.021 0.000 2.150 908 E HA -0.150 4.197 4.350 -0.005 0.000 0.193 908 E C 2.182 178.924 176.600 0.236 0.000 0.985 908 E CA 0.845 57.269 56.400 0.040 0.000 0.814 908 E CB -0.194 29.461 29.700 -0.074 0.000 0.752 908 E HN 0.315 nan 8.360 nan 0.000 0.466 909 M N -0.075 119.614 119.600 0.148 0.000 2.117 909 M HA -0.139 4.338 4.480 -0.005 0.000 0.262 909 M C 2.458 178.824 176.300 0.109 0.000 1.065 909 M CA 0.922 56.303 55.300 0.134 0.000 1.114 909 M CB -1.308 31.329 32.600 0.062 0.000 1.361 909 M HN 0.167 nan 8.290 nan 0.000 0.408 910 C N -0.031 119.316 119.300 0.080 0.000 2.466 910 C HA -0.093 4.364 4.460 -0.005 0.000 0.278 910 C C 2.528 177.551 174.990 0.055 0.000 1.288 910 C CA 0.777 59.822 59.018 0.044 0.000 1.722 910 C CB -1.363 26.385 27.740 0.012 0.000 2.017 910 C HN 0.623 nan 8.230 nan 0.000 0.488 911 N N 0.593 119.353 118.700 0.100 0.000 2.453 911 N HA -0.078 4.659 4.740 -0.005 0.000 0.183 911 N C 1.674 177.343 175.510 0.264 0.000 1.041 911 N CA 0.831 53.962 53.050 0.136 0.000 0.900 911 N CB -0.008 38.560 38.487 0.134 0.000 0.961 911 N HN 0.525 nan 8.380 nan 0.000 0.443 912 A N 0.892 123.876 122.820 0.275 0.000 1.897 912 A HA -0.029 4.288 4.320 -0.005 0.000 0.215 912 A C 2.070 179.642 177.584 -0.020 0.000 1.181 912 A CA 0.654 52.697 52.037 0.011 0.000 0.620 912 A CB -0.422 18.487 19.000 -0.150 0.000 0.821 912 A HN 0.245 nan 8.150 nan 0.000 0.443 913 L N -0.535 120.695 121.223 0.011 0.000 2.217 913 L HA -0.152 4.185 4.340 -0.005 0.000 0.211 913 L C 2.197 179.051 176.870 -0.026 0.000 1.107 913 L CA 1.228 56.059 54.840 -0.016 0.000 0.783 913 L CB -0.556 41.494 42.059 -0.015 0.000 0.919 913 L HN 0.505 nan 8.230 nan 0.000 0.442 914 N N -0.720 117.976 118.700 -0.006 0.000 2.197 914 N HA -0.097 4.640 4.740 -0.005 0.000 0.184 914 N C 1.630 177.138 175.510 -0.002 0.000 1.030 914 N CA 0.860 53.894 53.050 -0.028 0.000 0.851 914 N CB 0.056 38.508 38.487 -0.058 0.000 1.003 914 N HN 0.061 nan 8.380 nan 0.000 0.430 915 S N 1.195 116.935 115.700 0.067 0.000 2.571 915 S HA -0.009 4.458 4.470 -0.005 0.000 0.245 915 S C 1.692 176.317 174.600 0.041 0.000 0.976 915 S CA 0.283 58.563 58.200 0.134 0.000 0.954 915 S CB -0.330 63.023 63.200 0.256 0.000 0.756 915 S HN 0.255 nan 8.310 nan 0.000 0.535 916 L N 0.259 121.481 121.223 -0.002 0.000 2.012 916 L HA -0.058 4.279 4.340 -0.005 0.000 0.210 916 L C 1.349 178.204 176.870 -0.024 0.000 1.073 916 L CA 0.887 55.710 54.840 -0.027 0.000 0.748 916 L CB -0.109 41.922 42.059 -0.047 0.000 0.891 916 L HN 0.257 nan 8.230 nan 0.000 0.431 917 S N -1.777 113.913 115.700 -0.017 0.000 2.526 917 S HA 0.127 4.594 4.470 -0.005 0.000 0.293 917 S C 0.573 175.181 174.600 0.013 0.000 1.092 917 S CA -0.756 57.439 58.200 -0.008 0.000 0.980 917 S CB 1.927 65.118 63.200 -0.014 0.000 1.048 917 S HN 0.268 nan 8.310 nan 0.000 0.483 918 E N 2.833 123.050 120.200 0.027 0.000 2.051 918 E HA -0.104 4.243 4.350 -0.005 0.000 0.192 918 E C 0.491 177.135 176.600 0.074 0.000 0.991 918 E CA 1.251 57.685 56.400 0.057 0.000 0.799 918 E CB 0.021 29.763 29.700 0.070 0.000 0.748 918 E HN 0.674 nan 8.360 nan 0.000 0.449 919 N N -0.221 118.526 118.700 0.079 0.000 2.160 919 N HA 0.045 4.782 4.740 -0.005 0.000 0.226 919 N C -0.719 174.833 175.510 0.069 0.000 1.256 919 N CA 0.019 53.133 53.050 0.108 0.000 0.890 919 N CB 1.034 39.598 38.487 0.128 0.000 1.116 919 N HN 0.079 nan 8.380 nan 0.000 0.517 920 Q N 0.970 120.792 119.800 0.037 0.000 2.256 920 Q HA 0.179 4.516 4.340 -0.005 0.000 0.254 920 Q C 0.082 176.089 176.000 0.012 0.000 0.916 920 Q CA -0.029 55.786 55.803 0.020 0.000 0.932 920 Q CB 1.983 30.721 28.738 -0.001 0.000 1.207 920 Q HN 0.012 nan 8.270 nan 0.000 0.426 921 S N 2.197 117.913 115.700 0.025 0.000 2.568 921 S HA 0.083 4.550 4.470 -0.005 0.000 0.282 921 S C 1.403 175.984 174.600 -0.032 0.000 1.338 921 S CA -0.380 57.830 58.200 0.017 0.000 1.045 921 S CB 0.364 63.596 63.200 0.053 0.000 0.873 921 S HN 0.669 nan 8.310 nan 0.000 0.516 922 L N 4.077 125.268 121.223 -0.054 0.000 2.450 922 L HA -0.127 4.210 4.340 -0.005 0.000 0.224 922 L C 2.127 178.915 176.870 -0.137 0.000 1.149 922 L CA 0.982 55.757 54.840 -0.109 0.000 0.816 922 L CB -0.355 41.643 42.059 -0.102 0.000 0.932 922 L HN 0.776 nan 8.230 nan 0.000 0.449 923 M N -1.559 117.998 119.600 -0.072 0.000 2.357 923 M HA -0.094 4.383 4.480 -0.005 0.000 0.266 923 M C 2.297 178.569 176.300 -0.046 0.000 1.095 923 M CA 1.003 56.274 55.300 -0.049 0.000 1.156 923 M CB -0.068 32.532 32.600 0.001 0.000 1.365 923 M HN 0.041 nan 8.290 nan 0.000 0.447 924 R N 0.917 121.396 120.500 -0.035 0.000 2.062 924 R HA 0.088 4.425 4.340 -0.005 0.000 0.226 924 R C 0.686 176.950 176.300 -0.060 0.000 1.125 924 R CA 1.103 57.189 56.100 -0.023 0.000 0.966 924 R CB 0.028 30.328 30.300 -0.001 0.000 0.861 924 R HN 0.199 nan 8.270 nan 0.000 0.433 925 M N 2.421 121.964 119.600 -0.095 0.000 2.480 925 M HA 0.412 4.889 4.480 -0.005 0.000 0.320 925 M C -2.389 173.756 176.300 -0.259 0.000 1.141 925 M CA -2.693 52.526 55.300 -0.134 0.000 1.102 925 M CB 1.512 34.059 32.600 -0.088 0.000 1.249 925 M HN -0.148 nan 8.290 nan 0.000 0.446 926 P HA 0.087 nan 4.420 nan 0.000 0.266 926 P C -2.328 174.500 177.300 -0.787 0.000 1.193 926 P CA -0.844 61.717 63.100 -0.899 0.000 0.770 926 P CB -0.183 30.523 31.700 -1.656 0.000 0.836 927 P HA -0.096 nan 4.420 nan 0.000 0.225 927 P C 0.580 177.793 177.300 -0.146 0.000 1.148 927 P CA 1.209 64.132 63.100 -0.296 0.000 0.779 927 P CB -0.452 31.160 31.700 -0.148 0.000 0.780 928 W N -1.552 119.759 121.300 0.018 0.000 3.405 928 W HA 0.280 4.937 4.660 -0.005 0.000 0.300 928 W C 0.696 177.232 176.519 0.029 0.000 1.286 928 W CA -0.229 57.127 57.345 0.018 0.000 1.762 928 W CB -1.647 27.817 29.460 0.007 0.000 1.087 928 W HN -0.336 nan 8.180 nan 0.000 0.703 929 V N 1.560 121.478 119.914 0.006 0.000 3.217 929 V HA -0.106 4.011 4.120 -0.005 0.000 0.264 929 V C 0.666 176.825 176.094 0.108 0.000 1.135 929 V CA 1.215 63.550 62.300 0.058 0.000 1.142 929 V CB -0.874 30.926 31.823 -0.038 0.000 0.754 929 V HN 0.331 nan 8.190 nan 0.000 0.484 930 N N 0.001 118.775 118.700 0.122 0.000 2.716 930 N HA 0.262 4.999 4.740 -0.005 0.000 0.253 930 N C 0.390 176.020 175.510 0.200 0.000 1.170 930 N CA -0.232 52.926 53.050 0.180 0.000 0.807 930 N CB 1.232 39.800 38.487 0.134 0.000 1.183 930 N HN 0.047 nan 8.380 nan 0.000 0.524 931 I N 1.206 121.893 120.570 0.195 0.000 2.208 931 I HA -0.146 4.021 4.170 -0.005 0.000 0.245 931 I C 1.518 177.651 176.117 0.027 0.000 1.097 931 I CA 1.322 62.659 61.300 0.061 0.000 1.363 931 I CB -0.315 37.638 38.000 -0.078 0.000 1.051 931 I HN 0.511 nan 8.210 nan 0.000 0.413 932 W N -0.049 121.262 121.300 0.019 0.000 2.338 932 W HA -0.175 4.482 4.660 -0.005 0.000 0.304 932 W C 2.455 179.006 176.519 0.053 0.000 1.212 932 W CA 0.747 58.100 57.345 0.015 0.000 1.264 932 W CB -1.036 28.471 29.460 0.078 0.000 1.142 932 W HN 0.095 nan 8.180 nan 0.000 0.512 933 L N 0.236 121.636 121.223 0.295 0.000 2.042 933 L HA -0.182 4.155 4.340 -0.005 0.000 0.210 933 L C 2.156 179.082 176.870 0.093 0.000 1.076 933 L CA 1.847 56.777 54.840 0.151 0.000 0.749 933 L CB -1.043 41.069 42.059 0.089 0.000 0.893 933 L HN 0.017 nan 8.230 nan 0.000 0.432 934 L N -0.983 120.291 121.223 0.085 0.000 2.046 934 L HA -0.154 4.183 4.340 -0.005 0.000 0.208 934 L C 2.487 179.374 176.870 0.028 0.000 1.077 934 L CA 1.380 56.253 54.840 0.055 0.000 0.747 934 L CB -1.352 40.743 42.059 0.061 0.000 0.896 934 L HN 0.471 nan 8.230 nan 0.000 0.432 935 G N -0.465 108.341 108.800 0.010 0.000 2.408 935 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.217 935 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.217 935 G C 1.795 176.709 174.900 0.023 0.000 1.150 935 G CA 0.904 45.994 45.100 -0.017 0.000 0.776 935 G HN 0.501 nan 8.290 nan 0.000 0.542 936 S N 0.628 116.369 115.700 0.069 0.000 2.382 936 S HA -0.051 4.416 4.470 -0.005 0.000 0.228 936 S C 2.316 176.944 174.600 0.046 0.000 1.027 936 S CA 1.113 59.359 58.200 0.078 0.000 0.991 936 S CB -0.360 62.905 63.200 0.108 0.000 0.823 936 S HN 0.336 nan 8.310 nan 0.000 0.469 937 I N 1.075 121.666 120.570 0.035 0.000 2.252 937 I HA -0.157 4.010 4.170 -0.005 0.000 0.245 937 I C 2.621 178.737 176.117 -0.001 0.000 1.102 937 I CA 0.865 62.178 61.300 0.022 0.000 1.385 937 I CB -0.566 37.447 38.000 0.023 0.000 1.064 937 I HN 0.410 nan 8.210 nan 0.000 0.414 938 C N 0.196 119.496 119.300 -0.001 0.000 2.432 938 C HA -0.164 4.293 4.460 -0.005 0.000 0.277 938 C C 2.735 177.717 174.990 -0.014 0.000 1.249 938 C CA 0.533 59.542 59.018 -0.014 0.000 1.725 938 C CB -0.932 26.802 27.740 -0.010 0.000 2.028 938 C HN 0.501 nan 8.230 nan 0.000 0.477 939 L N 1.248 122.476 121.223 0.007 0.000 2.017 939 L HA -0.098 4.239 4.340 -0.005 0.000 0.208 939 L C 2.500 179.390 176.870 0.033 0.000 1.073 939 L CA 2.086 56.941 54.840 0.024 0.000 0.745 939 L CB -1.014 41.069 42.059 0.039 0.000 0.894 939 L HN 0.233 nan 8.230 nan 0.000 0.432 940 S N -0.863 114.856 115.700 0.032 0.000 2.368 940 S HA -0.140 4.327 4.470 -0.005 0.000 0.225 940 S C 1.914 176.517 174.600 0.005 0.000 1.030 940 S CA 1.550 59.780 58.200 0.050 0.000 0.999 940 S CB -0.249 62.981 63.200 0.051 0.000 0.844 940 S HN 0.379 nan 8.310 nan 0.000 0.459 941 M N 1.813 121.362 119.600 -0.086 0.000 2.132 941 M HA -0.038 4.439 4.480 -0.005 0.000 0.263 941 M C 2.416 178.464 176.300 -0.419 0.000 1.065 941 M CA 1.476 56.615 55.300 -0.269 0.000 1.122 941 M CB -1.798 30.630 32.600 -0.286 0.000 1.365 941 M HN 0.445 nan 8.290 nan 0.000 0.411 942 S N -0.224 115.355 115.700 -0.201 0.000 2.447 942 S HA -0.016 4.451 4.470 -0.005 0.000 0.233 942 S C 1.930 176.521 174.600 -0.015 0.000 1.006 942 S CA 0.667 58.818 58.200 -0.082 0.000 0.957 942 S CB -0.699 62.513 63.200 0.021 0.000 0.773 942 S HN 0.480 nan 8.310 nan 0.000 0.507 943 L N 0.190 121.429 121.223 0.027 0.000 2.418 943 L HA 0.092 4.429 4.340 -0.005 0.000 0.218 943 L C 2.647 179.565 176.870 0.081 0.000 1.125 943 L CA 0.996 55.915 54.840 0.130 0.000 0.835 943 L CB -0.396 41.838 42.059 0.291 0.000 0.953 943 L HN 0.382 nan 8.230 nan 0.000 0.454 944 H N -0.035 118.966 119.070 -0.115 0.000 2.343 944 H HA -0.067 4.486 4.556 -0.005 0.000 0.303 944 H C 2.022 177.325 175.328 -0.042 0.000 1.068 944 H CA 1.508 57.473 56.048 -0.139 0.000 1.359 944 H CB -0.126 29.520 29.762 -0.194 0.000 1.402 944 H HN 0.172 nan 8.280 nan 0.000 0.515 945 F N -0.663 119.270 119.950 -0.028 0.000 2.269 945 F HA -0.151 4.373 4.527 -0.005 0.000 0.301 945 F C 2.243 177.937 175.800 -0.176 0.000 1.082 945 F CA 0.210 58.109 58.000 -0.168 0.000 1.360 945 F CB -0.013 38.823 39.000 -0.275 0.000 1.041 945 F HN 0.223 nan 8.300 nan 0.000 0.512 946 L N 0.492 121.737 121.223 0.037 0.000 2.044 946 L HA -0.117 4.220 4.340 -0.005 0.000 0.205 946 L C 1.977 178.800 176.870 -0.079 0.000 1.075 946 L CA 1.523 56.358 54.840 -0.008 0.000 0.747 946 L CB -0.527 41.525 42.059 -0.012 0.000 0.903 946 L HN 0.128 nan 8.230 nan 0.000 0.435 947 I N -1.043 119.370 120.570 -0.263 0.000 2.916 947 I HA -0.185 3.982 4.170 -0.005 0.000 0.267 947 I C 1.273 177.246 176.117 -0.240 0.000 1.263 947 I CA 0.783 61.813 61.300 -0.449 0.000 1.471 947 I CB 0.153 37.584 38.000 -0.947 0.000 1.089 947 I HN 0.283 nan 8.210 nan 0.000 0.468 948 L N -0.923 120.262 121.223 -0.064 0.000 2.728 948 L HA 0.078 4.415 4.340 -0.005 0.000 0.238 948 L C 0.859 177.879 176.870 0.249 0.000 1.143 948 L CA -0.078 54.810 54.840 0.079 0.000 0.937 948 L CB 0.193 42.345 42.059 0.155 0.000 1.225 948 L HN 0.201 nan 8.230 nan 0.000 0.507 949 Y N -1.561 118.709 120.300 -0.050 0.000 2.912 949 Y HA 0.175 4.722 4.550 -0.005 0.000 0.250 949 Y C 1.118 177.006 175.900 -0.020 0.000 1.073 949 Y CA -0.678 57.406 58.100 -0.026 0.000 1.275 949 Y CB 0.297 38.747 38.460 -0.017 0.000 1.470 949 Y HN -0.377 nan 8.280 nan 0.000 0.447 950 V N 3.659 123.662 119.914 0.148 0.000 2.416 950 V HA -0.107 4.010 4.120 -0.005 0.000 0.260 950 V C 0.557 176.681 176.094 0.049 0.000 1.018 950 V CA 0.452 62.800 62.300 0.080 0.000 1.120 950 V CB -0.534 31.326 31.823 0.060 0.000 1.081 950 V HN 0.371 nan 8.190 nan 0.000 0.474 951 D N 5.482 125.902 120.400 0.033 0.000 3.000 951 D HA -0.244 4.393 4.640 -0.005 0.000 0.196 951 D C -0.465 175.851 176.300 0.027 0.000 1.110 951 D CA 2.642 56.652 54.000 0.017 0.000 0.873 951 D CB -0.956 39.851 40.800 0.012 0.000 0.948 951 D HN 0.514 nan 8.370 nan 0.000 0.496 952 P HA -0.137 nan 4.420 nan 0.000 0.215 952 P C 1.579 178.918 177.300 0.065 0.000 1.157 952 P CA 1.050 64.176 63.100 0.043 0.000 0.874 952 P CB -0.047 31.682 31.700 0.048 0.000 0.790 953 L N 0.067 121.343 121.223 0.088 0.000 1.955 953 L HA -0.101 4.236 4.340 -0.005 0.000 0.213 953 L C -0.205 176.793 176.870 0.214 0.000 1.072 953 L CA 2.112 57.057 54.840 0.175 0.000 0.755 953 L CB -2.838 39.255 42.059 0.056 0.000 0.888 953 L HN 0.064 nan 8.230 nan 0.000 0.432 954 P HA -0.241 nan 4.420 nan 0.000 0.220 954 P C 1.760 179.100 177.300 0.066 0.000 1.144 954 P CA 1.659 64.795 63.100 0.059 0.000 0.800 954 P CB -0.132 31.564 31.700 -0.007 0.000 0.772 955 M N 0.282 119.915 119.600 0.054 0.000 2.156 955 M HA -0.044 4.433 4.480 -0.005 0.000 0.264 955 M C 2.005 178.315 176.300 0.017 0.000 1.067 955 M CA 1.593 56.909 55.300 0.027 0.000 1.131 955 M CB -0.760 31.850 32.600 0.017 0.000 1.368 955 M HN -0.078 nan 8.290 nan 0.000 0.416 956 I N -3.828 116.746 120.570 0.006 0.000 3.793 956 I HA -0.001 4.166 4.170 -0.005 0.000 0.315 956 I C 0.693 176.684 176.117 -0.211 0.000 1.275 956 I CA 0.258 61.493 61.300 -0.109 0.000 1.214 956 I CB -0.506 37.381 38.000 -0.187 0.000 1.018 956 I HN -0.030 nan 8.210 nan 0.000 0.439 957 F N 1.727 121.664 119.950 -0.022 0.000 2.698 957 F HA 0.362 4.886 4.527 -0.005 0.000 0.304 957 F C 0.658 176.442 175.800 -0.025 0.000 1.108 957 F CA -0.606 57.380 58.000 -0.024 0.000 1.263 957 F CB 0.453 39.409 39.000 -0.073 0.000 1.013 957 F HN -0.143 nan 8.300 nan 0.000 0.532 958 K N 1.384 121.843 120.400 0.098 0.000 3.078 958 K HA -0.193 4.125 4.320 -0.005 0.000 0.261 958 K C -0.500 176.107 176.600 0.013 0.000 0.947 958 K CA 0.643 56.957 56.287 0.045 0.000 0.702 958 K CB -1.608 30.919 32.500 0.045 0.000 1.318 958 K HN 0.417 nan 8.250 nan 0.000 0.473 959 L N -0.890 120.336 121.223 0.005 0.000 2.171 959 L HA 0.598 4.935 4.340 -0.005 0.000 0.253 959 L C -0.038 176.778 176.870 -0.091 0.000 1.054 959 L CA -1.097 53.707 54.840 -0.060 0.000 0.927 959 L CB 1.695 43.723 42.059 -0.052 0.000 1.513 959 L HN 0.003 nan 8.230 nan 0.000 0.471 960 K N 0.345 120.670 120.400 -0.124 0.000 2.579 960 K HA 0.482 4.799 4.320 -0.005 0.000 0.257 960 K C -1.297 175.247 176.600 -0.093 0.000 0.950 960 K CA -0.530 55.687 56.287 -0.116 0.000 0.862 960 K CB 1.705 34.119 32.500 -0.143 0.000 1.317 960 K HN 0.662 nan 8.250 nan 0.000 0.436 961 A N 4.914 127.703 122.820 -0.052 0.000 2.591 961 A HA 0.094 4.411 4.320 -0.005 0.000 0.244 961 A C 0.067 177.690 177.584 0.065 0.000 1.031 961 A CA 0.354 52.416 52.037 0.042 0.000 0.767 961 A CB -0.227 18.762 19.000 -0.018 0.000 0.942 961 A HN 0.638 nan 8.150 nan 0.000 0.514 962 L N 1.469 122.776 121.223 0.140 0.000 2.468 962 L HA 0.322 4.659 4.340 -0.005 0.000 0.254 962 L C 0.664 177.688 176.870 0.258 0.000 1.171 962 L CA -0.713 54.187 54.840 0.101 0.000 0.809 962 L CB 0.521 42.479 42.059 -0.168 0.000 1.155 962 L HN 0.844 nan 8.230 nan 0.000 0.473 963 D N -0.273 120.275 120.400 0.247 0.000 2.340 963 D HA 0.112 4.749 4.640 -0.005 0.000 0.251 963 D C 0.644 177.140 176.300 0.325 0.000 1.080 963 D CA -0.292 53.863 54.000 0.259 0.000 0.971 963 D CB 1.326 42.266 40.800 0.234 0.000 1.137 963 D HN 0.446 nan 8.370 nan 0.000 0.475 964 L N 1.692 123.069 121.223 0.256 0.000 2.191 964 L HA -0.132 4.205 4.340 -0.005 0.000 0.212 964 L C 1.558 178.564 176.870 0.227 0.000 1.103 964 L CA 1.427 56.408 54.840 0.236 0.000 0.769 964 L CB -0.273 41.866 42.059 0.134 0.000 0.908 964 L HN 0.458 nan 8.230 nan 0.000 0.438 965 T N -0.434 114.250 114.554 0.217 0.000 2.857 965 T HA -0.145 4.202 4.350 -0.005 0.000 0.266 965 T C 1.767 176.599 174.700 0.219 0.000 1.048 965 T CA 1.526 63.759 62.100 0.223 0.000 1.139 965 T CB -0.061 68.959 68.868 0.254 0.000 0.874 965 T HN 0.544 nan 8.240 nan 0.000 0.455 966 Q N -0.639 119.302 119.800 0.235 0.000 2.137 966 Q HA -0.034 4.303 4.340 -0.005 0.000 0.198 966 Q C 2.060 177.943 176.000 -0.196 0.000 0.960 966 Q CA 0.921 56.719 55.803 -0.008 0.000 0.847 966 Q CB -0.194 28.668 28.738 0.206 0.000 0.915 966 Q HN 0.569 nan 8.270 nan 0.000 0.448 967 W N 1.430 122.711 121.300 -0.031 0.000 2.379 967 W HA -0.085 4.572 4.660 -0.005 0.000 0.307 967 W C 1.964 178.445 176.519 -0.064 0.000 1.200 967 W CA 0.745 58.074 57.345 -0.028 0.000 1.297 967 W CB -0.146 29.339 29.460 0.042 0.000 1.140 967 W HN 0.044 nan 8.180 nan 0.000 0.507 968 L N -0.349 121.001 121.223 0.213 0.000 2.081 968 L HA -0.288 4.050 4.340 -0.005 0.000 0.212 968 L C 2.371 179.236 176.870 -0.009 0.000 1.080 968 L CA 1.447 56.352 54.840 0.109 0.000 0.754 968 L CB -0.801 41.317 42.059 0.098 0.000 0.893 968 L HN 0.129 nan 8.230 nan 0.000 0.433 969 M N -0.568 118.939 119.600 -0.156 0.000 2.175 969 M HA -0.111 4.366 4.480 -0.005 0.000 0.264 969 M C 2.031 178.133 176.300 -0.330 0.000 1.063 969 M CA 1.642 56.727 55.300 -0.359 0.000 1.119 969 M CB -0.213 31.831 32.600 -0.925 0.000 1.377 969 M HN -0.084 nan 8.290 nan 0.000 0.415 970 V N 0.497 120.228 119.914 -0.304 0.000 2.287 970 V HA -0.294 3.823 4.120 -0.005 0.000 0.248 970 V C 2.439 178.502 176.094 -0.051 0.000 1.053 970 V CA 1.983 64.149 62.300 -0.223 0.000 1.027 970 V CB -0.807 30.836 31.823 -0.301 0.000 0.646 970 V HN 0.557 nan 8.190 nan 0.000 0.447 971 L N -0.437 120.815 121.223 0.049 0.000 2.017 971 L HA -0.170 4.167 4.340 -0.005 0.000 0.208 971 L C 2.671 179.564 176.870 0.039 0.000 1.073 971 L CA 1.428 56.318 54.840 0.082 0.000 0.745 971 L CB -0.742 41.384 42.059 0.111 0.000 0.894 971 L HN 0.256 nan 8.230 nan 0.000 0.432 972 K N -0.020 120.384 120.400 0.006 0.000 2.209 972 K HA -0.069 4.248 4.320 -0.005 0.000 0.204 972 K C 1.921 178.527 176.600 0.010 0.000 1.048 972 K CA 1.061 57.351 56.287 0.004 0.000 0.940 972 K CB -0.234 32.257 32.500 -0.015 0.000 0.729 972 K HN 0.285 nan 8.250 nan 0.000 0.451 973 I N 0.501 121.058 120.570 -0.022 0.000 2.480 973 I HA -0.087 4.080 4.170 -0.005 0.000 0.251 973 I C 1.846 178.033 176.117 0.117 0.000 1.124 973 I CA 0.945 62.236 61.300 -0.015 0.000 1.444 973 I CB -0.827 37.107 38.000 -0.110 0.000 1.098 973 I HN -0.018 nan 8.210 nan 0.000 0.428 974 S N 1.053 116.819 115.700 0.111 0.000 2.327 974 S HA 0.042 4.509 4.470 -0.005 0.000 0.213 974 S C 2.023 176.693 174.600 0.117 0.000 1.032 974 S CA 0.346 58.653 58.200 0.179 0.000 0.960 974 S CB -0.349 62.909 63.200 0.097 0.000 0.900 974 S HN 0.179 nan 8.310 nan 0.000 0.469 975 L N 2.514 123.774 121.223 0.062 0.000 2.054 975 L HA -0.154 4.183 4.340 -0.005 0.000 0.220 975 L C -0.650 176.199 176.870 -0.034 0.000 1.081 975 L CA 2.108 56.957 54.840 0.014 0.000 0.780 975 L CB -2.888 39.186 42.059 0.025 0.000 0.893 975 L HN 0.274 nan 8.230 nan 0.000 0.438 976 P HA -0.148 nan 4.420 nan 0.000 0.222 976 P C 1.960 179.112 177.300 -0.248 0.000 1.142 976 P CA 1.045 64.117 63.100 -0.047 0.000 0.788 976 P CB -0.169 31.573 31.700 0.070 0.000 0.767 977 V N -0.151 119.468 119.914 -0.492 0.000 2.594 977 V HA -0.211 3.906 4.120 -0.005 0.000 0.253 977 V C 2.312 178.157 176.094 -0.416 0.000 1.069 977 V CA 1.355 63.154 62.300 -0.835 0.000 1.082 977 V CB -0.911 30.385 31.823 -0.879 0.000 0.680 977 V HN -0.035 nan 8.190 nan 0.000 0.469 978 I N 0.399 120.819 120.570 -0.249 0.000 2.315 978 I HA -0.093 4.074 4.170 -0.005 0.000 0.248 978 I C 2.546 178.579 176.117 -0.140 0.000 1.117 978 I CA 1.479 62.682 61.300 -0.162 0.000 1.404 978 I CB -0.871 37.070 38.000 -0.098 0.000 1.071 978 I HN 0.423 nan 8.210 nan 0.000 0.419 979 G N 0.975 109.695 108.800 -0.132 0.000 2.408 979 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.217 979 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.217 979 G C 1.639 176.477 174.900 -0.105 0.000 1.150 979 G CA 0.524 45.566 45.100 -0.096 0.000 0.776 979 G HN 0.256 nan 8.290 nan 0.000 0.542 980 L N 0.873 122.000 121.223 -0.161 0.000 1.994 980 L HA -0.009 4.328 4.340 -0.005 0.000 0.208 980 L C 2.122 178.912 176.870 -0.133 0.000 1.071 980 L CA 2.655 57.405 54.840 -0.150 0.000 0.745 980 L CB -0.669 41.244 42.059 -0.243 0.000 0.892 980 L HN 0.179 nan 8.230 nan 0.000 0.431 981 D N -1.035 119.252 120.400 -0.188 0.000 2.183 981 D HA -0.184 4.453 4.640 -0.005 0.000 0.203 981 D C 2.051 178.315 176.300 -0.059 0.000 0.969 981 D CA 0.695 54.594 54.000 -0.169 0.000 0.842 981 D CB 0.082 40.734 40.800 -0.247 0.000 0.957 981 D HN 0.395 nan 8.370 nan 0.000 0.484 982 E N -0.409 119.760 120.200 -0.053 0.000 2.333 982 E HA -0.097 4.250 4.350 -0.005 0.000 0.198 982 E C 1.617 178.255 176.600 0.063 0.000 1.007 982 E CA 0.607 57.007 56.400 0.001 0.000 0.845 982 E CB 0.011 29.695 29.700 -0.026 0.000 0.766 982 E HN 0.308 nan 8.360 nan 0.000 0.507 983 I N -0.437 120.162 120.570 0.049 0.000 2.556 983 I HA -0.086 4.081 4.170 -0.005 0.000 0.251 983 I C 2.033 178.287 176.117 0.228 0.000 1.105 983 I CA 0.569 61.926 61.300 0.095 0.000 1.436 983 I CB -0.848 37.170 38.000 0.030 0.000 1.139 983 I HN 0.175 nan 8.210 nan 0.000 0.438 984 L N 0.513 121.866 121.223 0.218 0.000 2.191 984 L HA -0.197 4.140 4.340 -0.005 0.000 0.212 984 L C 2.477 179.707 176.870 0.601 0.000 1.103 984 L CA 1.256 56.364 54.840 0.447 0.000 0.769 984 L CB -0.463 41.742 42.059 0.243 0.000 0.908 984 L HN 0.227 nan 8.230 nan 0.000 0.438 985 K N -0.432 120.186 120.400 0.363 0.000 2.025 985 K HA -0.178 4.139 4.320 -0.005 0.000 0.207 985 K C 2.076 178.855 176.600 0.298 0.000 1.049 985 K CA 1.363 57.858 56.287 0.346 0.000 0.933 985 K CB -0.282 32.333 32.500 0.191 0.000 0.714 985 K HN 0.057 nan 8.250 nan 0.000 0.438 986 F N 2.170 122.202 119.950 0.137 0.000 2.120 986 F HA -0.260 4.264 4.527 -0.005 0.000 0.300 986 F C 1.798 177.669 175.800 0.118 0.000 1.095 986 F CA 1.318 59.381 58.000 0.106 0.000 1.249 986 F CB -0.009 39.041 39.000 0.083 0.000 0.995 986 F HN -0.068 nan 8.300 nan 0.000 0.480 987 I N 0.420 121.168 120.570 0.296 0.000 2.614 987 I HA -0.198 3.969 4.170 -0.005 0.000 0.258 987 I C 2.582 178.665 176.117 -0.057 0.000 1.189 987 I CA 1.289 62.664 61.300 0.125 0.000 1.462 987 I CB -2.273 35.787 38.000 0.100 0.000 1.092 987 I HN 0.272 nan 8.210 nan 0.000 0.442 988 A N 0.835 123.624 122.820 -0.053 0.000 1.935 988 A HA -0.080 4.237 4.320 -0.005 0.000 0.214 988 A C 2.488 180.000 177.584 -0.120 0.000 1.178 988 A CA 0.658 52.575 52.037 -0.200 0.000 0.640 988 A CB -0.264 18.720 19.000 -0.027 0.000 0.825 988 A HN 0.271 nan 8.150 nan 0.000 0.447 989 R N -0.129 120.313 120.500 -0.096 0.000 2.062 989 R HA -0.001 4.336 4.340 -0.005 0.000 0.226 989 R C 1.831 178.015 176.300 -0.192 0.000 1.125 989 R CA 1.340 57.362 56.100 -0.130 0.000 0.966 989 R CB -0.264 29.955 30.300 -0.134 0.000 0.861 989 R HN 0.524 nan 8.270 nan 0.000 0.433 990 N N 0.264 118.791 118.700 -0.288 0.000 2.131 990 N HA -0.113 4.624 4.740 -0.005 0.000 0.190 990 N C 1.293 176.665 175.510 -0.230 0.000 1.055 990 N CA 1.304 54.171 53.050 -0.305 0.000 0.853 990 N CB -0.382 37.841 38.487 -0.441 0.000 1.035 990 N HN 0.169 nan 8.380 nan 0.000 0.440 991 Y N 0.976 121.156 120.300 -0.199 0.000 2.465 991 Y HA 0.362 4.909 4.550 -0.005 0.000 0.311 991 Y C 0.500 176.302 175.900 -0.163 0.000 1.204 991 Y CA 0.215 58.230 58.100 -0.141 0.000 1.272 991 Y CB -0.245 38.155 38.460 -0.101 0.000 1.083 991 Y HN -0.015 nan 8.280 nan 0.000 0.508 992 L N -1.254 119.923 121.223 -0.075 0.000 2.630 992 L HA 0.347 4.684 4.340 -0.005 0.000 0.258 992 L C -0.699 176.099 176.870 -0.121 0.000 1.072 992 L CA -1.290 53.472 54.840 -0.131 0.000 0.885 992 L CB 2.056 43.967 42.059 -0.247 0.000 1.502 992 L HN -0.334 nan 8.230 nan 0.000 0.406 993 E N 0.541 120.677 120.200 -0.107 0.000 1.893 993 E HA 0.513 4.860 4.350 -0.005 0.000 0.269 993 E C -0.294 176.273 176.600 -0.056 0.000 1.129 993 E CA 0.128 56.485 56.400 -0.072 0.000 0.904 993 E CB 0.678 30.348 29.700 -0.051 0.000 1.077 993 E HN 0.635 nan 8.360 nan 0.000 0.407 994 G N 0.000 108.770 108.800 -0.049 0.000 5.446 994 G HA2 0.000 3.957 3.960 -0.005 0.000 0.244 994 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 994 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925